| 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 | 43.1 | Very low | 80.2 | Confident | 229 Ų | 229 | 71.4 Ų | 71.4 | 100% | 1.128 | 38% | 0.382 | S | S | * | . | 0 | 109.7 | 0 | -73.5 | 174.5 | 179.8 | 0 | 0 | 105.9 | H3 | M1-H3 PolarHBondContact O-N 3.43Å; M1-H3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | G | 55.9 | Low | 80.7 | Confident | 74 Ų | 74 | 69.2 Ų | 69.2 | 76% | 0.763 | 37% | 0.374 | S | S | * | . | trans | -57.8 | 120.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | A4 | G2-A4 PolarHBondContact O-N 3.09Š| ||
| 3 | H | 69.7 | Low | 80.9 | Confident | 151 Ų | 151 | 66.6 Ų | 66.6 | 70% | 0.699 | 36% | 0.362 | S | S | * | . | trans | -61.9 | 108.7 | 179.5 | -75.4 | -84.1 | 0 | 0 | 0 | 107.6 | M1 H55 | M1-H3 PolarHBondContact O-N 3.43Å; M1-H3 VanDerWaalsContact O-N 3.14Å; H3-H55 PolarHBondContact O-CD2 2.75Å | ||
| 4 | A | 80.4 | Confident | 80.7 | Confident | 42 Ų | 42 | 67.9 Ų | 67.9 | 35% | 0.347 | 37% | 0.373 | S | S | . | . | trans | -71.2 | 135.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | G2 M52 L53 | G2-A4 PolarHBondContact O-N 3.09Å; A4-M52 HydrophobicContact CB-CB 4.06Å; A4-M52 HydrophobicContact CB-CE 4.01Å; A4-M52 WeakPolarHBondContact O-CE 3.47Å; A4-L53 CarbonylContact C-O 3.57Å; A4-L53 WeakPolarHBondContact CA-O 3.37Å | ||
| 5 | I | 86 | Confident | 80.5 | Confident | 34 Ų | 34 | 68.6 Ų | 68.6 | 17% | 0.174 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 139.2 | -179.1 | -61.3 | 173.4 | 0 | 0 | 0 | 108.1 | Q7 L53 V84 A85 L89 | I5-Q7 PolarHBondContact O-N 3.28Å; I5-L53 PolarHBondContact N-O 3.02Å; I5-L53 PolarHBondContact O-N 2.66Å; I5-V84 HydrophobicContact CB-CG1 3.87Å; I5-V84 HydrophobicContact CD1-CG1 4.01Å; I5-V84 HydrophobicContact CG1-CG1 4.23Å; I5-A85 WeakPolarHBondContact CD1-O 3.15Å; I5-L89 HydrophobicContact CB-CD1 4.32Å; I5-L89 HydrophobicContact CG2-CD1 3.74Å; I5-L89 HydrophobicContact CG2-CG 3.99Å |
| 6 | R | 89.3 | Confident | 80.1 | Confident | 163 Ų | 163 | 67.9 Ų | 67.9 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 112.7 | 179.9 | -171.1 | 176.5 | 174.2 | 179.1 | -2.5 | 109.2 | C8 C50 M52 | R6-C8 PolarHBondContact NE-SG 3.33Å; R6-C50 HydrophobicContact CG-CB 4.34Å; R6-C50 PolarHBondContact NH2-SG 2.96Å; R6-M52 HydrophobicContact CB-SD 3.59Å; R6-M52 VanDerWaalsContact CB-SD 3.59Å; R6-M52 HydrophobicContact CG-SD 4.06Å |
| 7 | Q | 90.4 | Very high | 79.5 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 123.5 | 165.5 | 179.1 | 64.3 | 67.9 | 0 | 0 | 108.2 | I5 F30 C50 K51 L53 L89 E90 I92 | I5-Q7 PolarHBondContact O-N 3.28Å; Q7-F30 HydrophobicContact CG-CE1 4.2Å; Q7-C50 CarbonylContact O-C 3.38Å; Q7-C50 VanDerWaalsContact O-CA 3.27Å; Q7-C50 WeakPolarHBondContact O-CA 3.47Å; Q7-K51 PolarHBondContact N-O 3.47Å; Q7-K51 PolarHBondContact O-N 2.84Å; Q7-L53 HydrophobicContact CB-CD1 3.73Å; Q7-L53 HydrophobicContact CB-CG 4.31Å; Q7-L53 HydrophobicContact CG-CD1 4.28Å; Q7-L89 HydrophobicContact CB-CD1 3.96Å; Q7-L89 VanDerWaalsContact OE1-CB 3.28Å; Q7-E90 PolarHBondContact NE2-O 2.87Å; Q7-I92 HydrophobicContact CG-CD1 4.18Å; Q7-I92 HydrophobicContact CG-CG1 4.45Å |
| 8 | C | 91.7 | Very high | 78.9 | Confident | 23 Ų | 23 | 68.2 Ų | 68.2 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 164.7 | 172 | -68.3 | 0 | 0 | 0 | 0 | 110.8 | R6 F49 C50 D91 I92 | R6-C8 PolarHBondContact NE-SG 3.33Å; C8-F49 CarbonylContact C-O 3.55Å; C8-F49 VanDerWaalsContact CA-O 3.24Å; C8-F49 WeakPolarHBondContact CA-O 3.32Å; C8-C50 HydrophobicContact CB-CB 4.17Å; C8-C50 WeakPolarHBondContact CB-SG 3.43Å; C8-C50 WeakPolarHBondContact SG-CB 3.41Å; C8-C50 CovalentContact SG-SG 2.04Å; C8-C50 PolarHBondContact SG-SG 3.08Å; C8-D91 WeakPolarHBondContact CB-OD1 3.01Å; C8-D91 WeakPolarHBondContact O-CA 3.44Å; C8-I92 PolarHBondContact O-N 2.71Å; C8-I92 VanDerWaalsContact O-N 3.15Å |
| 9 | G | 92.4 | Very high | 78.3 | Confident | 2 Ų | 2 | 69.8 Ų | 69.8 | 2% | 0.021 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.9 | 180 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y48 F49 I92 | G9-Y48 WeakPolarHBondContact O-CA 3.49Å; G9-F49 PolarHBondContact N-O 2.95Å; G9-F49 WeakPolarHBondContact O-CD1 3.37Å; G9-F49 PolarHBondContact O-N 2.99Å; G9-I92 CarbonylContact C-O 3.5Å; G9-I92 WeakPolarHBondContact CA-O 3.38Å |
| 10 | K | 92.7 | Very high | 78 | Confident | 58 Ų | 58 | 67 Ų | 67 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 136.1 | -179.1 | -164.6 | 178.8 | -169.1 | 170.5 | 0 | 111.8 | D46 G47 Y48 I92 T93 F94 | K10-D46 WeakPolarHBondContact CE-O 3.25Å; K10-G47 CarbonylContact C-O 3.44Å; K10-G47 WeakPolarHBondContact CA-O 3.38Å; K10-Y48 HydrophobicContact CB-CD1 3.98Å; K10-Y48 HydrophobicContact CB-CE1 4.1Å; K10-Y48 HydrophobicContact CD-CD1 4.1Å; K10-Y48 HydrophobicContact CD-CE1 3.6Å; K10-Y48 HydrophobicContact CD-CE2 4.15Å; K10-Y48 HydrophobicContact CG-CD1 3.98Å; K10-Y48 HydrophobicContact CG-CE1 4Å; K10-Y48 HydrophobicContact CG-CG 4.33Å; K10-Y48 PolarHBondContact NZ-OH 2.89Å; K10-Y48 VanDerWaalsContact NZ-OH 3.16Å; K10-I92 PolarHBondContact N-O 3.44Å; K10-T93 CarbonylContact O-C 3.49Å; K10-T93 WeakPolarHBondContact O-CA 3.3Å; K10-F94 PolarHBondContact O-N 2.91Å |
| 11 | V | 90.3 | Very high | 77.6 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 106.1 | 167.6 | -173 | 0 | 0 | 0 | 0 | 108 | V13 V28 G47 F49 P62 L75 F94 | V11-V13 HydrophobicContact CG1-CG2 4.22Å; V11-V28 HydrophobicContact CG2-CG2 3.85Å; V11-G47 PolarHBondContact N-O 2.87Å; V11-G47 WeakPolarHBondContact O-CA 3.36Å; V11-F49 HydrophobicContact CG2-CD1 4.09Å; V11-F49 HydrophobicContact CG2-CE1 3.84Å; V11-P62 HydrophobicContact CG2-CB 4.34Å; V11-L75 HydrophobicContact CG1-CD1 3.93Å; V11-L75 HydrophobicContact CG1-CD2 4.24Å; V11-F94 CarbonylContact C-O 3.53Å; V11-F94 WeakPolarHBondContact CA-O 3.18Å; V11-F94 HydrophobicContact CG1-CB 4.27Å; V11-F94 HydrophobicContact CG2-CB 4.26Å; V11-F94 HydrophobicContact CG2-CD2 4.19Å |
| 12 | T | 87 | Confident | 78.9 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 28% | 0.276 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.5 | 179.9 | -54.5 | 0 | 0 | 0 | 0 | 109.7 | T14 F94 Q96 | T12-T14 HydrophobicContact CG2-CG2 4.41Å; T12-F94 PolarHBondContact N-O 3.5Å; T12-Q96 PolarHBondContact O-N 3.26Å |
| 13 | V | 83.1 | Confident | 79.6 | Confident | 36 Ų | 36 | 61.4 Ų | 61.4 | 22% | 0.218 | 35% | 0.35 | C | S | . | . | trans | -128.4 | 124.9 | 174.5 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | V11 F16 F73 L75 | V11-V13 HydrophobicContact CG1-CG2 4.22Å; V13-F16 HydrophobicContact CG1-CD2 4.19Å; V13-F16 HydrophobicContact CG1-CE1 4.18Å; V13-F16 HydrophobicContact CG1-CE2 3.66Å; V13-F16 HydrophobicContact CG1-CZ 3.67Å; V13-F73 HydrophobicContact CG1-CE2 3.77Å; V13-F73 HydrophobicContact CG1-CZ 4.03Å; V13-F73 HydrophobicContact CG2-CE2 4.32Å; V13-F73 HydrophobicContact CG2-CZ 3.76Å; V13-L75 HydrophobicContact CG2-CD2 4.02Å | ||
| 14 | T | 77.8 | Confident | 79.6 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 52% | 0.515 | 35% | 0.35 | S | S | . | . | trans | -112.5 | -38.4 | -169.9 | 28.4 | 0 | 0 | 0 | 0 | 111.4 | T12 Q96 E98 | T12-T14 HydrophobicContact CG2-CG2 4.41Å; T14-Q96 PolarHBondContact OG1-OE1 3.25Å; T14-E98 PolarHBondContact OG1-OE1 3.26Å | ||
| 15 | H | 77.8 | Confident | 79.7 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 37% | 0.366 | 36% | 0.355 | S | S | . | . | trans | -129.8 | 146.1 | 179.8 | -60 | 94.7 | 0 | 0 | 0 | 111.1 | Q96 E98 N142 F144 | H15-Q96 VanDerWaalsContact N-OE1 3.11Å; H15-Q96 VanDerWaalsContact O-CD 3.29Å; H15-Q96 PolarHBondContact O-NE2 2.84Å; H15-Q96 PolarHBondContact O-OE1 2.01Å; H15-Q96 VanDerWaalsContact O-OE1 3.05Å; H15-E98 IonicContact CE1-OE1 3.12Å; H15-E98 IonicContact CG-OE1 2.69Å; H15-E98 IonicContact ND1-OE1 2.78Å; H15-E98 PolarHBondContact ND1-OE1 2.79Å; H15-E98 IonicContact ND1-OE2 2.73Å; H15-N142 PolarHBondContact CE1-ND2 3.33Å; H15-N142 VanDerWaalsContact CE1-ND2 3.28Å; H15-N142 PolarHBondContact CE1-OD1 3.19Å; H15-N142 PolarHBondContact ND1-OD1 3.21Å; H15-N142 PolarHBondContact NE2-ND2 3.18Å; H15-F144 HydrophobicContact CB-CZ 4.35Å | ||
| 16 | F | 73.9 | Confident | 79.7 | Confident | 57 Ų | 57 | 60 Ų | 60 | 25% | 0.25 | 35% | 0.35 | C | S | . | . | trans | -114.4 | 141.8 | 174.4 | -74.2 | -98.9 | 0 | 0 | 0 | 109.7 | V13 S18 T22 | V13-F16 HydrophobicContact CG1-CD2 4.19Å; V13-F16 HydrophobicContact CG1-CE1 4.18Å; V13-F16 HydrophobicContact CG1-CE2 3.66Å; V13-F16 HydrophobicContact CG1-CZ 3.67Å; F16-S18 PolarHBondContact O-N 2.78Å; F16-T22 HydrophobicContact CB-CG2 4.03Å; F16-T22 HydrophobicContact CD1-CG2 4.26Å; F16-T22 HydrophobicContact CD2-CG2 3.69Å; F16-T22 HydrophobicContact CE2-CG2 4.15Å; F16-T22 HydrophobicContact CG-CG2 3.75Å | ||
| 17 | P | 69.7 | Low | 79.8 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | trans | -55.5 | 134.6 | 169 | -20.5 | 31.1 | 0 | 0 | 0 | 109.4 | S19 V20 A71 F73 F144 | P17-S19 PolarHBondContact O-N 3.47Å; P17-V20 HydrophobicContact CB-CG2 4.28Å; P17-V20 PolarHBondContact O-N 3.32Å; P17-A71 HydrophobicContact CB-CB 3.75Å; P17-A71 HydrophobicContact CG-CB 3.91Å; P17-F73 HydrophobicContact CG-CB 4.37Å; P17-F144 HydrophobicContact CB-CD2 4.48Å; P17-F144 HydrophobicContact CB-CE2 4.27Å; P17-F144 HydrophobicContact CB-CZ 4.43Å; P17-F144 VanDerWaalsContact CD-CZ 3.45Å; P17-F144 HydrophobicContact CG-CD1 3.99Å; P17-F144 HydrophobicContact CG-CD2 4.22Å; P17-F144 HydrophobicContact CG-CE1 3.69Å; P17-F144 HydrophobicContact CG-CE2 3.97Å; P17-F144 HydrophobicContact CG-CG 4.24Å; P17-F144 HydrophobicContact CG-CZ 3.71Å | ||
| 18 | S | 69 | Low | 79.9 | Confident | 132 Ų | 132 | 56.2 Ų | 56.2 | 92% | 0.923 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.7 | -176 | 40 | 0 | 0 | 0 | 0 | 113.9 | F16 V20 | F16-S18 PolarHBondContact O-N 2.78Å; S18-V20 VanDerWaalsContact C-N 3.35Å |
| 19 | S | 68.1 | Low | 80 | Confident | 99 Ų | 99 | 56.5 Ų | 56.5 | 69% | 0.692 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -5 | 177.7 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | P17 | P17-S19 PolarHBondContact O-N 3.47Š|
| 20 | V | 72.1 | Confident | 80 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 9% | 0.085 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -123.2 | 135.2 | -171.8 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | P17 S18 E68 A71 | P17-V20 HydrophobicContact CB-CG2 4.28Å; P17-V20 PolarHBondContact O-N 3.32Å; S18-V20 VanDerWaalsContact C-N 3.35Å; V20-E68 HydrophobicContact CG1-CG 3.66Å; V20-A71 HydrophobicContact CG2-CB 3.53Å |
| 21 | A | 69.9 | Low | 80 | Confident | 80 Ų | 80 | 54.9 Ų | 54.9 | 66% | 0.661 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 135.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | L23 | A21-L23 PolarHBondContact O-N 3.31Š|
| 22 | T | 69.2 | Low | 80.1 | Confident | 107 Ų | 107 | 55.2 Ų | 55.2 | 66% | 0.656 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -67 | 122.8 | 178.5 | 48.9 | 0 | 0 | 0 | 0 | 110.9 | F16 | F16-T22 HydrophobicContact CB-CG2 4.03Å; F16-T22 HydrophobicContact CD1-CG2 4.26Å; F16-T22 HydrophobicContact CD2-CG2 3.69Å; F16-T22 HydrophobicContact CE2-CG2 4.15Å; F16-T22 HydrophobicContact CG-CG2 3.75Å |
| 23 | L | 70.4 | Confident | 80.1 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 121.4 | 172.6 | -71.1 | 173.7 | 0 | 0 | 0 | 109.7 | A21 Q25 L65 | A21-L23 PolarHBondContact O-N 3.31Å; L23-Q25 VanDerWaalsContact C-N 3.25Å; L23-Q25 PolarHBondContact O-N 3.31Å; L23-L65 HydrophobicContact CD1-CD1 3.77Å; L23-L65 HydrophobicContact CD1-CG 4.08Å; L23-L65 HydrophobicContact CD2-CD1 4.19Å; L23-L65 HydrophobicContact CG-CD1 4.31Å |
| 24 | A | 70.3 | Confident | 80.1 | Confident | 83 Ų | 83 | 63.7 Ų | 63.7 | 69% | 0.686 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -67.7 | -25 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 25 | Q | 81.9 | Confident | 80.4 | Confident | 100 Ų | 100 | 69.2 Ų | 69.2 | 47% | 0.467 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -151.1 | 143.5 | -174.7 | -69.4 | -175.7 | -33.4 | 0 | 0 | 109.8 | L23 T42 A43 | L23-Q25 VanDerWaalsContact C-N 3.25Å; L23-Q25 PolarHBondContact O-N 3.31Å; Q25-T42 HydrophobicContact CB-CG2 3.77Å; Q25-A43 WeakPolarHBondContact CB-O 3Å; Q25-A43 WeakPolarHBondContact CG-O 3.3Å |
| 26 | R | 86.1 | Confident | 80.6 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 5% | 0.053 | 40% | 0.397 | C | S | . | . | trans | -116 | 134.6 | -176.8 | -69.7 | -174.4 | 179.2 | -82.6 | -0.2 | 112 | A43 E68 | R26-A43 WeakPolarHBondContact O-CB 3.42Å; R26-A43 PolarHBondContact O-N 3.45Å; R26-E68 IonicContact CZ-OE1 3.86Å; R26-E68 VanDerWaalsContact CZ-OE1 3.23Å; R26-E68 VanDerWaalsContact NH1-CD 3.34Å; R26-E68 IonicContact NH1-OE1 3.57Å; R26-E68 PolarHBondContact NH1-OE1 3.44Å; R26-E68 IonicContact NH1-OE2 2.77Å; R26-E68 PolarHBondContact NH1-OE2 2.88Å; R26-E68 VanDerWaalsContact NH1-OE2 3.08Å; R26-E68 IonicContact NH2-OE1 3.79Å; R26-E68 PolarHBondContact NH2-OE1 2.88Å | ||
| 27 | K | 91.7 | Very high | 81.2 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 38% | 0.378 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 133.8 | 173.2 | -169.4 | -177 | -177.2 | -178 | 0 | 109.8 | S40 T41 Q63 | K27-S40 WeakPolarHBondContact CE-OG 3.12Å; K27-T41 CarbonylContact C-O 3.54Å; K27-T41 WeakPolarHBondContact CA-O 3.38Å; K27-Q63 HydrophobicContact CB-CB 4.16Å; K27-Q63 VanDerWaalsContact CD-OE1 3.27Å; K27-Q63 WeakPolarHBondContact O-CB 3.41Å; K27-Q63 PolarHBondContact O-N 2.82Å |
| 28 | V | 92.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.6 | 172.4 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | V11 F30 S40 T41 F49 V60 | V11-V28 HydrophobicContact CG2-CG2 3.85Å; V28-F30 HydrophobicContact CB-CE2 4.39Å; V28-F30 HydrophobicContact CG1-CE2 3.99Å; V28-F30 HydrophobicContact CG1-CZ 4.15Å; V28-S40 CarbonylContact O-C 3.59Å; V28-S40 WeakPolarHBondContact O-CA 3.34Å; V28-S40 WeakPolarHBondContact O-CB 3.43Å; V28-T41 HydrophobicContact CB-CG2 4.26Å; V28-T41 PolarHBondContact N-O 2.99Å; V28-T41 PolarHBondContact O-N 3.35Å; V28-F49 HydrophobicContact CB-CD2 4.4Å; V28-F49 HydrophobicContact CB-CE2 4.43Å; V28-F49 HydrophobicContact CG1-CD2 4.36Å; V28-F49 HydrophobicContact CG1-CE1 4.47Å; V28-F49 HydrophobicContact CG1-CE2 3.92Å; V28-F49 HydrophobicContact CG1-CZ 3.96Å; V28-F49 HydrophobicContact CG2-CD1 3.84Å; V28-F49 HydrophobicContact CG2-CD2 4.39Å; V28-F49 HydrophobicContact CG2-CE1 3.94Å; V28-F49 HydrophobicContact CG2-CE2 4.49Å; V28-F49 HydrophobicContact CG2-CG 4.06Å; V28-F49 HydrophobicContact CG2-CZ 4.25Å; V28-V60 HydrophobicContact CG1-CG1 3.51Å |
| 29 | V | 93.9 | Very high | 83.2 | Confident | 29 Ų | 29 | 73.8 Ų | 73.8 | 18% | 0.176 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.5 | -175 | -175 | 0 | 0 | 0 | 0 | 109.2 | I38 L39 V60 E61 | V29-I38 HydrophobicContact CG1-CG2 3.45Å; V29-I38 VanDerWaalsContact CG1-CG2 3.45Å; V29-L39 CarbonylContact C-O 3.51Å; V29-V60 CarbonylContact O-C 3.55Å; V29-V60 VanDerWaalsContact O-CA 3.31Å; V29-V60 WeakPolarHBondContact O-CA 3.49Å; V29-E61 PolarHBondContact N-O 2.9Å; V29-E61 PolarHBondContact O-N 2.79Å |
| 30 | F | 92.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 111.2 | 177.7 | -57.6 | -105.4 | 0 | 0 | 0 | 107.6 | Q7 V28 L39 T41 F49 K51 L53 F58 L59 V60 | Q7-F30 HydrophobicContact CG-CE1 4.2Å; V28-F30 HydrophobicContact CB-CE2 4.39Å; V28-F30 HydrophobicContact CG1-CE2 3.99Å; V28-F30 HydrophobicContact CG1-CZ 4.15Å; F30-L39 HydrophobicContact CB-CB 4.23Å; F30-L39 PolarHBondContact N-O 2.59Å; F30-L39 PolarHBondContact O-N 2.82Å; F30-T41 HydrophobicContact CE2-CG2 3.93Å; F30-T41 HydrophobicContact CZ-CG2 4.47Å; F30-F49 HydrophobicContact CE1-CE2 4.45Å; F30-F49 HydrophobicContact CZ-CD2 4.04Å; F30-F49 AromaticContact CZ-CE2 3.74Å; F30-F49 HydrophobicContact CZ-CE2 3.74Å; F30-K51 HydrophobicContact CD2-CG 4.47Å; F30-K51 HydrophobicContact CE2-CB 3.85Å; F30-K51 HydrophobicContact CE2-CG 4.23Å; F30-K51 HydrophobicContact CZ-CB 3.85Å; F30-L53 HydrophobicContact CB-CD2 4.08Å; F30-L53 HydrophobicContact CD1-CD1 3.63Å; F30-L53 HydrophobicContact CD1-CD2 3.75Å; F30-L53 HydrophobicContact CD1-CG 4.25Å; F30-L53 HydrophobicContact CE1-CD1 3.9Å; F30-L53 HydrophobicContact CE1-CD2 4.32Å; F30-L53 HydrophobicContact CG-CD2 3.91Å; F30-F58 HydrophobicContact CB-CD1 4.06Å; F30-L59 WeakPolarHBondContact CA-O 3.34Å; F30-V60 HydrophobicContact CD1-CB 4.18Å; F30-V60 HydrophobicContact CD1-CG1 3.76Å; F30-V60 HydrophobicContact CD1-CG2 3.44Å; F30-V60 VanDerWaalsContact CD1-CG2 3.44Å; F30-V60 HydrophobicContact CE1-CB 4.35Å; F30-V60 HydrophobicContact CE1-CG1 3.6Å; F30-V60 HydrophobicContact CE1-CG2 3.78Å; F30-V60 HydrophobicContact CG-CG1 4.29Å; F30-V60 HydrophobicContact CG-CG2 4.35Å; F30-V60 HydrophobicContact CZ-CG1 4.02Å |
| 31 | T | 92.3 | Very high | 85.4 | Confident | 26 Ų | 26 | 71.8 Ų | 71.8 | 16% | 0.16 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 116.4 | -178.2 | -54.5 | 0 | 0 | 0 | 0 | 109.5 | T33 I38 F58 L59 | T31-T33 PolarHBondContact O-N 2.94Å; T31-I38 HydrophobicContact CG2-CG1 4.34Å; T31-F58 CarbonylContact O-C 3.53Å; T31-F58 VanDerWaalsContact O-CA 3.29Å; T31-F58 WeakPolarHBondContact O-CA 3.33Å; T31-L59 PolarHBondContact N-O 2.81Å; T31-L59 PolarHBondContact O-N 2.8Å |
| 32 | E | 92.3 | Very high | 86.4 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 6% | 0.061 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 124.4 | 177.5 | -154.5 | -72.3 | 145.9 | 0 | 0 | 110.5 | K34 R35 N36 E37 T57 F58 | E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.01Å; E32-K34 VanDerWaalsContact OE2-CA 3.31Å; E32-K34 WeakPolarHBondContact OE2-CA 3.38Å; E32-K34 WeakPolarHBondContact OE2-CB 3.45Å; E32-K34 PolarHBondContact OE2-N 2.83Å; E32-R35 WeakPolarHBondContact OE2-CB 3.27Å; E32-R35 PolarHBondContact OE2-N 2.77Å; E32-N36 VanDerWaalsContact O-CA 3.24Å; E32-N36 WeakPolarHBondContact O-CA 3.22Å; E32-N36 PolarHBondContact O-N 2.78Å; E32-E37 HydrophobicContact CB-CB 4.24Å; E32-E37 PolarHBondContact N-O 2.84Å; E32-T57 PolarHBondContact OE1-N 3.22Å; E32-F58 HydrophobicContact CB-CD1 3.9Å; E32-F58 HydrophobicContact CB-CE1 3.57Å; E32-F58 HydrophobicContact CB-CZ 4.12Å; E32-F58 HydrophobicContact CG-CD1 4.19Å; E32-F58 HydrophobicContact CG-CE1 3.69Å; E32-F58 HydrophobicContact CG-CE2 4.23Å; E32-F58 HydrophobicContact CG-CZ 3.69Å |
| 33 | T | 87 | Confident | 87.4 | Confident | 76 Ų | 76 | 66.7 Ų | 66.7 | 47% | 0.466 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -17 | -167.6 | 52.6 | 0 | 0 | 0 | 0 | 115.8 | T31 T57 | T31-T33 PolarHBondContact O-N 2.94Å; T33-T57 WeakPolarHBondContact CB-O 3.37Å; T33-T57 HydrophobicContact CG2-CG2 4.13Å; T33-T57 WeakPolarHBondContact CG2-O 3.25Å; T33-T57 PolarHBondContact N-O 3.23Å; T33-T57 WeakPolarHBondContact OG1-CB 3.35Å; T33-T57 PolarHBondContact OG1-O 2.83Å |
| 34 | K | 84.1 | Confident | 88.4 | Confident | 183 Ų | 183 | 66.8 Ų | 66.8 | 80% | 0.796 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -36.4 | -177.1 | -65.4 | -177.7 | 178.2 | 178.9 | 0 | 113.4 | E32 | E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.01Å; E32-K34 VanDerWaalsContact OE2-CA 3.31Å; E32-K34 WeakPolarHBondContact OE2-CA 3.38Å; E32-K34 WeakPolarHBondContact OE2-CB 3.45Å; E32-K34 PolarHBondContact OE2-N 2.83Å |
| 35 | R | 83.9 | Confident | 89 | Confident | 200 Ų | 200 | 73.1 Ų | 73.1 | 76% | 0.755 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -12.9 | -177.3 | -62.4 | -176.1 | 178.9 | -147.7 | -2.5 | 112.8 | E32 E37 | E32-R35 WeakPolarHBondContact OE2-CB 3.27Å; E32-R35 PolarHBondContact OE2-N 2.77Å; R35-E37 HydrophobicContact CB-CB 4.28Å; R35-E37 PolarHBondContact O-N 3.13Å |
| 36 | N | 80.8 | Confident | 89.2 | Confident | 126 Ų | 126 | 74 Ų | 74 | 67% | 0.674 | 36% | 0.358 | S | S | * | . | trans | 57.4 | 27.5 | -172.8 | -125.5 | 12.3 | 0 | 0 | 0 | 112.8 | E32 | E32-N36 VanDerWaalsContact O-CA 3.24Å; E32-N36 WeakPolarHBondContact O-CA 3.22Å; E32-N36 PolarHBondContact O-N 2.78Å | ||
| 37 | E | 87.7 | Confident | 89.3 | Confident | 93 Ų | 93 | 73.9 Ų | 73.9 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | trans | -77.8 | 127.9 | 178 | -172.7 | 177.8 | 172.2 | 0 | 0 | 109.3 | E32 R35 | E32-E37 HydrophobicContact CB-CB 4.24Å; E32-E37 PolarHBondContact N-O 2.84Å; R35-E37 HydrophobicContact CB-CB 4.28Å; R35-E37 PolarHBondContact O-N 3.13Å | ||
| 38 | I | 89.1 | Confident | 89.4 | Confident | 116 Ų | 116 | 75.3 Ų | 75.3 | 60% | 0.595 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.8 | -175.2 | -57.6 | 174.4 | 0 | 0 | 0 | 109.4 | V29 T31 | V29-I38 HydrophobicContact CG1-CG2 3.45Å; V29-I38 VanDerWaalsContact CG1-CG2 3.45Å; T31-I38 HydrophobicContact CG2-CG1 4.34Å |
| 39 | L | 91.7 | Very high | 89.4 | Confident | 39 Ų | 39 | 75.6 Ų | 75.6 | 20% | 0.204 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 154.9 | 168.6 | -58.9 | 172.8 | 0 | 0 | 0 | 109 | V29 F30 L53 F58 | V29-L39 CarbonylContact C-O 3.51Å; F30-L39 HydrophobicContact CB-CB 4.23Å; F30-L39 PolarHBondContact N-O 2.59Å; F30-L39 PolarHBondContact O-N 2.82Å; L39-L53 HydrophobicContact CD1-CD2 3.92Å; L39-F58 HydrophobicContact CD1-CE1 4.25Å |
| 40 | S | 91.7 | Very high | 89.3 | Confident | 42 Ų | 42 | 76.3 Ų | 76.3 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 161 | 171.7 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | K27 V28 K51 | K27-S40 WeakPolarHBondContact CE-OG 3.12Å; V28-S40 CarbonylContact O-C 3.59Å; V28-S40 WeakPolarHBondContact O-CA 3.34Å; V28-S40 WeakPolarHBondContact O-CB 3.43Å; S40-K51 PolarHBondContact O-NZ 3.08Å |
| 41 | T | 93.3 | Very high | 89.2 | Confident | 29 Ų | 29 | 79.4 Ų | 79.4 | 18% | 0.178 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 167.4 | 169 | -159.8 | 0 | 0 | 0 | 0 | 108.9 | K27 V28 F30 F49 C50 K51 | K27-T41 CarbonylContact C-O 3.54Å; K27-T41 WeakPolarHBondContact CA-O 3.38Å; V28-T41 HydrophobicContact CB-CG2 4.26Å; V28-T41 PolarHBondContact N-O 2.99Å; V28-T41 PolarHBondContact O-N 3.35Å; F30-T41 HydrophobicContact CE2-CG2 3.93Å; F30-T41 HydrophobicContact CZ-CG2 4.47Å; T41-F49 HydrophobicContact CG2-CB 3.74Å; T41-F49 HydrophobicContact CG2-CD2 3.88Å; T41-F49 HydrophobicContact CG2-CG 4.14Å; T41-C50 PolarHBondContact OG1-O 2.72Å; T41-K51 HydrophobicContact CG2-CB 4.47Å |
| 42 | T | 92.1 | Very high | 89.1 | Confident | 77 Ų | 77 | 83 Ų | 83 | 47% | 0.472 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.7 | 174.8 | -56.5 | 0 | 0 | 0 | 0 | 108.1 | Q25 | Q25-T42 HydrophobicContact CB-CG2 3.77Å |
| 43 | A | 90.7 | Very high | 89 | Confident | 2 Ų | 2 | 82.4 Ų | 82.4 | 2% | 0.017 | 40% | 0.399 | C | S | . | . | trans | -65.1 | 144.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q25 R26 Y48 F49 | Q25-A43 WeakPolarHBondContact CB-O 3Å; Q25-A43 WeakPolarHBondContact CG-O 3.3Å; R26-A43 WeakPolarHBondContact O-CB 3.42Å; R26-A43 PolarHBondContact O-N 3.45Å; A43-Y48 CarbonylContact C-O 3.59Å; A43-Y48 VanDerWaalsContact CA-O 3.27Å; A43-Y48 WeakPolarHBondContact CA-O 3.48Å; A43-F49 HydrophobicContact CB-CB 4.21Å | ||
| 44 | D | 89.7 | Confident | 89.1 | Confident | 67 Ų | 67 | 81.6 Ų | 81.6 | 36% | 0.358 | 40% | 0.395 | S | S | . | . | trans | -70.7 | -174.6 | 173.6 | 65.8 | 25.1 | 0 | 0 | 0 | 111.9 | D46 G47 Y48 | D44-D46 PolarHBondContact O-N 2.67Å; D44-D46 WeakPolarHBondContact OD1-CA 3.3Å; D44-D46 PolarHBondContact OD1-N 2.82Å; D44-G47 PolarHBondContact O-N 2.85Å; D44-G47 VanDerWaalsContact O-N 3.14Å; D44-G47 PolarHBondContact OD1-N 3.15Å; D44-Y48 PolarHBondContact N-O 3.31Å; D44-Y48 PolarHBondContact OD1-N 2.76Å | ||
| 45 | R | 84.2 | Confident | 89.2 | Confident | 217 Ų | 217 | 77 Ų | 77 | 82% | 0.819 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -23.3 | -178.6 | -68.5 | -176.6 | 179.4 | -179.5 | -0.7 | 113.5 | G47 | R45-G47 VanDerWaalsContact C-N 3.3Š|
| 46 | D | 85.5 | Confident | 89.5 | Confident | 119 Ų | 119 | 68.3 Ų | 68.3 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 2.5 | 178.3 | -63 | -40.2 | 0 | 0 | 0 | 111.8 | K10 D44 Y48 | K10-D46 WeakPolarHBondContact CE-O 3.25Å; D44-D46 PolarHBondContact O-N 2.67Å; D44-D46 WeakPolarHBondContact OD1-CA 3.3Å; D44-D46 PolarHBondContact OD1-N 2.82Å; D46-Y48 VanDerWaalsContact C-N 3.35Å; D46-Y48 HydrophobicContact CB-CD2 3.79Å; D46-Y48 HydrophobicContact CB-CE2 4.12Å |
| 47 | G | 88.6 | Confident | 90 | Very high | 11 Ų | 11 | 63.4 Ų | 63.4 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 83.9 | 2.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K10 V11 D44 R45 | K10-G47 CarbonylContact C-O 3.44Å; K10-G47 WeakPolarHBondContact CA-O 3.38Å; V11-G47 PolarHBondContact N-O 2.87Å; V11-G47 WeakPolarHBondContact O-CA 3.36Å; D44-G47 PolarHBondContact O-N 2.85Å; D44-G47 VanDerWaalsContact O-N 3.14Å; D44-G47 PolarHBondContact OD1-N 3.15Å; R45-G47 VanDerWaalsContact C-N 3.3Å |
| 48 | Y | 92.7 | Very high | 90.2 | Very high | 116 Ų | 116 | 59.1 Ų | 59.1 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 144.4 | 179.4 | -69.2 | -80.2 | 0 | 0 | 0 | 111.6 | G9 K10 A43 D44 D46 | G9-Y48 WeakPolarHBondContact O-CA 3.49Å; K10-Y48 HydrophobicContact CB-CD1 3.98Å; K10-Y48 HydrophobicContact CB-CE1 4.1Å; K10-Y48 HydrophobicContact CD-CD1 4.1Å; K10-Y48 HydrophobicContact CD-CE1 3.6Å; K10-Y48 HydrophobicContact CD-CE2 4.15Å; K10-Y48 HydrophobicContact CG-CD1 3.98Å; K10-Y48 HydrophobicContact CG-CE1 4Å; K10-Y48 HydrophobicContact CG-CG 4.33Å; K10-Y48 PolarHBondContact NZ-OH 2.89Å; K10-Y48 VanDerWaalsContact NZ-OH 3.16Å; A43-Y48 CarbonylContact C-O 3.59Å; A43-Y48 VanDerWaalsContact CA-O 3.27Å; A43-Y48 WeakPolarHBondContact CA-O 3.48Å; D44-Y48 PolarHBondContact N-O 3.31Å; D44-Y48 PolarHBondContact OD1-N 2.76Å; D46-Y48 VanDerWaalsContact C-N 3.35Å; D46-Y48 HydrophobicContact CB-CD2 3.79Å; D46-Y48 HydrophobicContact CB-CE2 4.12Å |
| 49 | F | 93 | Very high | 90.4 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 151.7 | 174.8 | 66.4 | -89.5 | 0 | 0 | 0 | 111.1 | C8 G9 V11 V28 F30 T41 A43 I92 F94 | C8-F49 CarbonylContact C-O 3.55Å; C8-F49 VanDerWaalsContact CA-O 3.24Å; C8-F49 WeakPolarHBondContact CA-O 3.32Å; G9-F49 PolarHBondContact N-O 2.95Å; G9-F49 WeakPolarHBondContact O-CD1 3.37Å; G9-F49 PolarHBondContact O-N 2.99Å; V11-F49 HydrophobicContact CG2-CD1 4.09Å; V11-F49 HydrophobicContact CG2-CE1 3.84Å; V28-F49 HydrophobicContact CB-CD2 4.4Å; V28-F49 HydrophobicContact CB-CE2 4.43Å; V28-F49 HydrophobicContact CG1-CD2 4.36Å; V28-F49 HydrophobicContact CG1-CE1 4.47Å; V28-F49 HydrophobicContact CG1-CE2 3.92Å; V28-F49 HydrophobicContact CG1-CZ 3.96Å; V28-F49 HydrophobicContact CG2-CD1 3.84Å; V28-F49 HydrophobicContact CG2-CD2 4.39Å; V28-F49 HydrophobicContact CG2-CE1 3.94Å; V28-F49 HydrophobicContact CG2-CE2 4.49Å; V28-F49 HydrophobicContact CG2-CG 4.06Å; V28-F49 HydrophobicContact CG2-CZ 4.25Å; F30-F49 HydrophobicContact CE1-CE2 4.45Å; F30-F49 HydrophobicContact CZ-CD2 4.04Å; F30-F49 AromaticContact CZ-CE2 3.74Å; F30-F49 HydrophobicContact CZ-CE2 3.74Å; T41-F49 HydrophobicContact CG2-CB 3.74Å; T41-F49 HydrophobicContact CG2-CD2 3.88Å; T41-F49 HydrophobicContact CG2-CG 4.14Å; A43-F49 HydrophobicContact CB-CB 4.21Å; F49-I92 HydrophobicContact CE2-CD1 3.97Å; F49-I92 HydrophobicContact CE2-CG1 4.19Å; F49-I92 HydrophobicContact CZ-CD1 3.74Å; F49-I92 HydrophobicContact CZ-CG1 3.75Å; F49-F94 HydrophobicContact CE1-CD2 4.38Å; F49-F94 HydrophobicContact CZ-CD2 4.4Å; F49-F94 HydrophobicContact CZ-CE2 4.2Å |
| 50 | C | 91.1 | Very high | 90.4 | Very high | 44 Ų | 44 | 54.2 Ų | 54.2 | 30% | 0.297 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 145.1 | 169.8 | -63 | 0 | 0 | 0 | 0 | 110.3 | R6 Q7 C8 T41 | R6-C50 HydrophobicContact CG-CB 4.34Å; R6-C50 PolarHBondContact NH2-SG 2.96Å; Q7-C50 CarbonylContact O-C 3.38Å; Q7-C50 VanDerWaalsContact O-CA 3.27Å; Q7-C50 WeakPolarHBondContact O-CA 3.47Å; C8-C50 HydrophobicContact CB-CB 4.17Å; C8-C50 WeakPolarHBondContact CB-SG 3.43Å; C8-C50 WeakPolarHBondContact SG-CB 3.41Å; C8-C50 CovalentContact SG-SG 2.04Å; C8-C50 PolarHBondContact SG-SG 3.08Å; T41-C50 PolarHBondContact OG1-O 2.72Å |
| 51 | K | 91.8 | Very high | 90.5 | Very high | 66 Ų | 66 | 55.7 Ų | 55.7 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 140.9 | 174.1 | -170.3 | 65.6 | 175.7 | -160.4 | 0 | 110.4 | Q7 F30 S40 T41 L53 | Q7-K51 PolarHBondContact N-O 3.47Å; Q7-K51 PolarHBondContact O-N 2.84Å; F30-K51 HydrophobicContact CD2-CG 4.47Å; F30-K51 HydrophobicContact CE2-CB 3.85Å; F30-K51 HydrophobicContact CE2-CG 4.23Å; F30-K51 HydrophobicContact CZ-CB 3.85Å; S40-K51 PolarHBondContact O-NZ 3.08Å; T41-K51 HydrophobicContact CG2-CB 4.47Å; K51-L53 HydrophobicContact CB-CD2 4.49Å; K51-L53 HydrophobicContact CG-CD2 4.04Å |
| 52 | M | 90.6 | Very high | 90.4 | Very high | 102 Ų | 102 | 54.9 Ų | 54.9 | 50% | 0.502 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121.2 | 169.7 | -62.4 | -60.5 | -71.9 | 0 | 0 | 108.8 | A4 R6 | A4-M52 HydrophobicContact CB-CB 4.06Å; A4-M52 HydrophobicContact CB-CE 4.01Å; A4-M52 WeakPolarHBondContact O-CE 3.47Å; R6-M52 HydrophobicContact CB-SD 3.59Å; R6-M52 VanDerWaalsContact CB-SD 3.59Å; R6-M52 HydrophobicContact CG-SD 4.06Å |
| 53 | L | 88.9 | Confident | 90.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136.3 | -179.7 | -60.2 | 177.5 | 0 | 0 | 0 | 110.3 | A4 I5 Q7 F30 L39 K51 F58 V84 | A4-L53 CarbonylContact C-O 3.57Å; A4-L53 WeakPolarHBondContact CA-O 3.37Å; I5-L53 PolarHBondContact N-O 3.02Å; I5-L53 PolarHBondContact O-N 2.66Å; Q7-L53 HydrophobicContact CB-CD1 3.73Å; Q7-L53 HydrophobicContact CB-CG 4.31Å; Q7-L53 HydrophobicContact CG-CD1 4.28Å; F30-L53 HydrophobicContact CB-CD2 4.08Å; F30-L53 HydrophobicContact CD1-CD1 3.63Å; F30-L53 HydrophobicContact CD1-CD2 3.75Å; F30-L53 HydrophobicContact CD1-CG 4.25Å; F30-L53 HydrophobicContact CE1-CD1 3.9Å; F30-L53 HydrophobicContact CE1-CD2 4.32Å; F30-L53 HydrophobicContact CG-CD2 3.91Å; L39-L53 HydrophobicContact CD1-CD2 3.92Å; K51-L53 HydrophobicContact CB-CD2 4.49Å; K51-L53 HydrophobicContact CG-CD2 4.04Å; L53-F58 HydrophobicContact CB-CE2 4.17Å; L53-F58 HydrophobicContact CB-CZ 4.43Å; L53-F58 HydrophobicContact CD1-CD2 4.21Å; L53-F58 HydrophobicContact CD1-CG 4.34Å; L53-F58 HydrophobicContact CD2-CD1 4.43Å; L53-F58 HydrophobicContact CD2-CE1 4.38Å; L53-V84 HydrophobicContact CB-CG1 4.48Å; L53-V84 HydrophobicContact CB-CG2 3.86Å; L53-V84 HydrophobicContact CD1-CG2 3.94Å |
| 54 | P | 89 | Confident | 90.1 | Very high | 58 Ų | 58 | 58 Ų | 58 | 38% | 0.377 | 29% | 0.286 | S | S | . | . | trans | -71.6 | 168.7 | 171.2 | 30.9 | -32.4 | 0 | 0 | 0 | 110.9 | G56 F58 V84 | P54-G56 PolarHBondContact O-N 3.27Å; P54-F58 HydrophobicContact CG-CZ 3.93Å; P54-F58 VanDerWaalsContact O-CE2 3.28Å; P54-F58 WeakPolarHBondContact O-CE2 3.44Å; P54-V84 WeakPolarHBondContact O-CB 3.29Å; P54-V84 WeakPolarHBondContact O-CG1 3.49Å | ||
| 55 | H | 88.2 | Confident | 89.9 | Confident | 87 Ų | 87 | 57.8 Ų | 57.8 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -59 | 130.7 | 175 | -76.1 | -148.8 | 0 | 0 | 0 | 110.8 | H3 V84 D86 | H3-H55 PolarHBondContact O-CD2 2.75Å; H55-V84 VanDerWaalsContact CA-O 3.32Å; H55-V84 WeakPolarHBondContact CA-O 3.3Å; H55-D86 IonicContact CE1-OD1 2.97Å; H55-D86 PolarHBondContact CE1-OD1 3.3Å; H55-D86 IonicContact NE2-OD1 3.62Å |
| 56 | G | 89.4 | Confident | 89.7 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.7 | 179.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P54 V84 | P54-G56 PolarHBondContact O-N 3.27Å; G56-V84 PolarHBondContact N-O 2.94Å; G56-V84 VanDerWaalsContact N-O 3.1Å; G56-V84 PolarHBondContact O-N 2.66Å |
| 57 | T | 90.4 | Very high | 89.5 | Confident | 24 Ų | 24 | 51 Ų | 51 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.2 | 176.6 | -63.5 | 0 | 0 | 0 | 0 | 108.5 | E32 T33 K81 V82 T83 | E32-T57 PolarHBondContact OE1-N 3.22Å; T33-T57 WeakPolarHBondContact CB-O 3.37Å; T33-T57 HydrophobicContact CG2-CG2 4.13Å; T33-T57 WeakPolarHBondContact CG2-O 3.25Å; T33-T57 PolarHBondContact N-O 3.23Å; T33-T57 WeakPolarHBondContact OG1-CB 3.35Å; T33-T57 PolarHBondContact OG1-O 2.83Å; T57-K81 HydrophobicContact CG2-CD 4.13Å; T57-K81 HydrophobicContact CG2-CG 3.78Å; T57-V82 CarbonylContact C-O 3.54Å; T57-V82 WeakPolarHBondContact CA-O 3.4Å; T57-T83 PolarHBondContact OG1-OG1 3.43Å |
| 58 | F | 92.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.3 | -175.6 | -63.9 | -95.1 | 0 | 0 | 0 | 110.6 | F30 T31 E32 L39 L53 P54 V60 K81 V82 V84 | F30-F58 HydrophobicContact CB-CD1 4.06Å; T31-F58 CarbonylContact O-C 3.53Å; T31-F58 VanDerWaalsContact O-CA 3.29Å; T31-F58 WeakPolarHBondContact O-CA 3.33Å; E32-F58 HydrophobicContact CB-CD1 3.9Å; E32-F58 HydrophobicContact CB-CE1 3.57Å; E32-F58 HydrophobicContact CB-CZ 4.12Å; E32-F58 HydrophobicContact CG-CD1 4.19Å; E32-F58 HydrophobicContact CG-CE1 3.69Å; E32-F58 HydrophobicContact CG-CE2 4.23Å; E32-F58 HydrophobicContact CG-CZ 3.69Å; L39-F58 HydrophobicContact CD1-CE1 4.25Å; L53-F58 HydrophobicContact CB-CE2 4.17Å; L53-F58 HydrophobicContact CB-CZ 4.43Å; L53-F58 HydrophobicContact CD1-CD2 4.21Å; L53-F58 HydrophobicContact CD1-CG 4.34Å; L53-F58 HydrophobicContact CD2-CD1 4.43Å; L53-F58 HydrophobicContact CD2-CE1 4.38Å; P54-F58 HydrophobicContact CG-CZ 3.93Å; P54-F58 VanDerWaalsContact O-CE2 3.28Å; P54-F58 WeakPolarHBondContact O-CE2 3.44Å; F58-V60 HydrophobicContact CB-CG2 4.44Å; F58-K81 CarbonylContact O-C 3.57Å; F58-K81 WeakPolarHBondContact O-CA 3.25Å; F58-V82 PolarHBondContact N-O 3.21Å; F58-V82 PolarHBondContact O-N 2.84Å; F58-V84 HydrophobicContact CD2-CG2 3.84Å; F58-V84 HydrophobicContact CE2-CB 4.5Å; F58-V84 HydrophobicContact CE2-CG2 4.02Å |
| 59 | L | 92.7 | Very high | 88.6 | Confident | 53 Ų | 53 | 52.7 Ų | 52.7 | 28% | 0.277 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 120.5 | 161.2 | -168.9 | 69.3 | 0 | 0 | 0 | 107.9 | F30 T31 E61 | F30-L59 WeakPolarHBondContact CA-O 3.34Å; T31-L59 PolarHBondContact N-O 2.81Å; T31-L59 PolarHBondContact O-N 2.8Å; L59-E61 HydrophobicContact CD2-CG 4.34Å; L59-E61 HydrophobicContact CG-CG 4.17Å |
| 60 | V | 92.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.2 | -178.1 | -168 | 0 | 0 | 0 | 0 | 109.5 | V28 V29 F30 F58 S79 I80 V82 I92 F94 | V28-V60 HydrophobicContact CG1-CG1 3.51Å; V29-V60 CarbonylContact O-C 3.55Å; V29-V60 VanDerWaalsContact O-CA 3.31Å; V29-V60 WeakPolarHBondContact O-CA 3.49Å; F30-V60 HydrophobicContact CD1-CB 4.18Å; F30-V60 HydrophobicContact CD1-CG1 3.76Å; F30-V60 HydrophobicContact CD1-CG2 3.44Å; F30-V60 VanDerWaalsContact CD1-CG2 3.44Å; F30-V60 HydrophobicContact CE1-CB 4.35Å; F30-V60 HydrophobicContact CE1-CG1 3.6Å; F30-V60 HydrophobicContact CE1-CG2 3.78Å; F30-V60 HydrophobicContact CG-CG1 4.29Å; F30-V60 HydrophobicContact CG-CG2 4.35Å; F30-V60 HydrophobicContact CZ-CG1 4.02Å; F58-V60 HydrophobicContact CB-CG2 4.44Å; V60-S79 CarbonylContact O-C 3.51Å; V60-S79 VanDerWaalsContact O-CA 3.26Å; V60-S79 WeakPolarHBondContact O-CA 3.39Å; V60-I80 PolarHBondContact N-O 2.89Å; V60-I80 PolarHBondContact O-N 2.77Å; V60-V82 HydrophobicContact CG2-CB 4.19Å; V60-V82 HydrophobicContact CG2-CG2 3.7Å; V60-I92 HydrophobicContact CB-CD1 3.91Å; V60-I92 HydrophobicContact CG1-CD1 3.56Å; V60-I92 HydrophobicContact CG2-CD1 4.06Å; V60-F94 HydrophobicContact CB-CZ 4.36Å; V60-F94 HydrophobicContact CG1-CE2 4.2Å; V60-F94 HydrophobicContact CG1-CZ 4.23Å; V60-F94 VanDerWaalsContact O-CZ 3.3Å; V60-F94 WeakPolarHBondContact O-CZ 3.21Å |
| 61 | E | 93.2 | Very high | 87.2 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 34% | 0.341 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 124.7 | -173.1 | -66.4 | 179.5 | 118.2 | 0 | 0 | 110.9 | V29 L59 S79 | V29-E61 PolarHBondContact N-O 2.9Å; V29-E61 PolarHBondContact O-N 2.79Å; L59-E61 HydrophobicContact CD2-CG 4.34Å; L59-E61 HydrophobicContact CG-CG 4.17Å; E61-S79 VanDerWaalsContact CG-CB 3.4Å |
| 62 | P | 92.2 | Very high | 86.5 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 7% | 0.071 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 136.6 | 169.2 | 29.1 | -33.4 | 0 | 0 | 0 | 110.1 | V11 I64 L75 F94 | V11-P62 HydrophobicContact CG2-CB 4.34Å; P62-I64 PolarHBondContact O-N 2.91Å; P62-L75 HydrophobicContact CB-CD1 3.6Å; P62-L75 HydrophobicContact CG-CB 4.24Å; P62-L75 HydrophobicContact CG-CD1 3.34Å; P62-L75 HydrophobicContact CG-CG 4.41Å; P62-F94 VanDerWaalsContact CD-CD1 3.48Å; P62-F94 HydrophobicContact CG-CB 4.25Å; P62-F94 HydrophobicContact CG-CD1 3.64Å; P62-F94 HydrophobicContact CG-CD2 4.36Å; P62-F94 HydrophobicContact CG-CE1 4.08Å; P62-F94 HydrophobicContact CG-CG 3.81Å |
| 63 | Q | 89.5 | Confident | 86.2 | Confident | 90 Ų | 90 | 48 Ų | 48 | 42% | 0.421 | 27% | 0.274 | S | S | . | . | trans | -72 | 122.8 | 176.5 | -172.6 | 179.3 | -4.7 | 0 | 0 | 110.1 | K27 | K27-Q63 HydrophobicContact CB-CB 4.16Å; K27-Q63 VanDerWaalsContact CD-OE1 3.27Å; K27-Q63 WeakPolarHBondContact O-CB 3.41Å; K27-Q63 PolarHBondContact O-N 2.82Å | ||
| 64 | I | 86 | Confident | 86 | Confident | 56 Ų | 56 | 50.4 Ų | 50.4 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | trans | -107.9 | 129.6 | 171 | -59.7 | 175.7 | 0 | 0 | 0 | 107.8 | P62 E68 K69 F73 L75 | P62-I64 PolarHBondContact O-N 2.91Å; I64-E68 HydrophobicContact CG2-CB 3.73Å; I64-K69 HydrophobicContact CG2-CB 4.14Å; I64-F73 HydrophobicContact CD1-CD1 4.3Å; I64-F73 HydrophobicContact CD1-CE1 4.44Å; I64-F73 HydrophobicContact CG1-CD1 4.26Å; I64-F73 HydrophobicContact CG1-CE1 4.24Å; I64-F73 HydrophobicContact CG2-CD1 3.88Å; I64-L75 HydrophobicContact CD1-CB 4.41Å; I64-L75 HydrophobicContact CD1-CD1 4.36Å; I64-L75 HydrophobicContact CD1-CG 4.31Å; I64-L75 HydrophobicContact CG1-CD1 4.25Å | ||
| 65 | L | 85 | Confident | 85.9 | Confident | 62 Ų | 62 | 47.7 Ų | 47.7 | 33% | 0.325 | 27% | 0.271 | S | S | . | . | trans | -70.8 | 155.9 | 177.7 | -63.1 | 178.8 | 0 | 0 | 0 | 111.6 | L23 N67 E68 K69 | L23-L65 HydrophobicContact CD1-CD1 3.77Å; L23-L65 HydrophobicContact CD1-CG 4.08Å; L23-L65 HydrophobicContact CD2-CD1 4.19Å; L23-L65 HydrophobicContact CG-CD1 4.31Å; L65-N67 VanDerWaalsContact C-N 3.29Å; L65-N67 WeakPolarHBondContact CB-OD1 3.05Å; L65-N67 PolarHBondContact O-N 2.88Å; L65-E68 HydrophobicContact CB-CB 4.25Å; L65-E68 HydrophobicContact CB-CG 4.06Å; L65-E68 PolarHBondContact N-OE2 3Å; L65-E68 WeakPolarHBondContact O-CB 3.18Å; L65-E68 PolarHBondContact O-N 2.77Å; L65-K69 PolarHBondContact O-N 2.87Å | ||
| 66 | S | 80.7 | Confident | 85.6 | Confident | 111 Ų | 111 | 47.9 Ų | 47.9 | 78% | 0.776 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.7 | -35.6 | -179.9 | -50 | 0 | 0 | 0 | 0 | 113 | A70 | S66-A70 WeakPolarHBondContact O-CB 3.25Å; S66-A70 PolarHBondContact O-N 2.9Å |
| 67 | N | 81 | Confident | 85.5 | Confident | 81 Ų | 81 | 49.9 Ų | 49.9 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -72.4 | -38.2 | 175.2 | 62.2 | -23.7 | 0 | 0 | 0 | 112.5 | L65 A70 A71 | L65-N67 VanDerWaalsContact C-N 3.29Å; L65-N67 WeakPolarHBondContact CB-OD1 3.05Å; L65-N67 PolarHBondContact O-N 2.88Å; N67-A70 PolarHBondContact O-N 3.15Å; N67-A71 WeakPolarHBondContact O-CB 3.49Å; N67-A71 PolarHBondContact O-N 2.78Å |
| 68 | E | 84.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 171.1 | -74.1 | -177.4 | 133.6 | 0 | 0 | 110.5 | V20 R26 I64 L65 A70 A71 G72 F73 | V20-E68 HydrophobicContact CG1-CG 3.66Å; R26-E68 IonicContact CZ-OE1 3.86Å; R26-E68 VanDerWaalsContact CZ-OE1 3.23Å; R26-E68 VanDerWaalsContact NH1-CD 3.34Å; R26-E68 IonicContact NH1-OE1 3.57Å; R26-E68 PolarHBondContact NH1-OE1 3.44Å; R26-E68 IonicContact NH1-OE2 2.77Å; R26-E68 PolarHBondContact NH1-OE2 2.88Å; R26-E68 VanDerWaalsContact NH1-OE2 3.08Å; R26-E68 IonicContact NH2-OE1 3.79Å; R26-E68 PolarHBondContact NH2-OE1 2.88Å; I64-E68 HydrophobicContact CG2-CB 3.73Å; L65-E68 HydrophobicContact CB-CB 4.25Å; L65-E68 HydrophobicContact CB-CG 4.06Å; L65-E68 PolarHBondContact N-OE2 3Å; L65-E68 WeakPolarHBondContact O-CB 3.18Å; L65-E68 PolarHBondContact O-N 2.77Å; E68-A70 VanDerWaalsContact C-N 3.3Å; E68-A70 PolarHBondContact O-N 3.11Å; E68-A71 CarbonylContact O-C 3.59Å; E68-A71 PolarHBondContact O-N 3.07Å; E68-A71 VanDerWaalsContact O-N 3.09Å; E68-G72 PolarHBondContact O-N 3.45Å; E68-F73 HydrophobicContact CB-CB 3.89Å; E68-F73 HydrophobicContact CB-CD1 4.18Å; E68-F73 HydrophobicContact CB-CG 4.23Å; E68-F73 WeakPolarHBondContact O-CB 3.4Å; E68-F73 PolarHBondContact O-N 2.86Å |
| 69 | K | 79.3 | Confident | 85.3 | Confident | 163 Ų | 163 | 54.6 Ų | 54.6 | 71% | 0.709 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61 | -39.2 | 178.2 | -169.1 | 175.7 | -177.3 | 178.4 | 0 | 112 | I64 L65 A71 G72 | I64-K69 HydrophobicContact CG2-CB 4.14Å; L65-K69 PolarHBondContact O-N 2.87Å; K69-A71 VanDerWaalsContact C-N 3.32Å; K69-G72 PolarHBondContact O-N 3.2Å |
| 70 | A | 77.3 | Confident | 85.3 | Confident | 90 Ų | 90 | 53.7 Ų | 53.7 | 74% | 0.744 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -67.2 | -31.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S66 N67 E68 G72 | S66-A70 WeakPolarHBondContact O-CB 3.25Å; S66-A70 PolarHBondContact O-N 2.9Å; N67-A70 PolarHBondContact O-N 3.15Å; E68-A70 VanDerWaalsContact C-N 3.3Å; E68-A70 PolarHBondContact O-N 3.11Å; A70-G72 PolarHBondContact O-N 2.87Å |
| 71 | A | 77.6 | Confident | 85.2 | Confident | 19 Ų | 19 | 60.9 Ų | 60.9 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 13.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | P17 V20 N67 E68 K69 F73 | P17-A71 HydrophobicContact CB-CB 3.75Å; P17-A71 HydrophobicContact CG-CB 3.91Å; V20-A71 HydrophobicContact CG2-CB 3.53Å; N67-A71 WeakPolarHBondContact O-CB 3.49Å; N67-A71 PolarHBondContact O-N 2.78Å; E68-A71 CarbonylContact O-C 3.59Å; E68-A71 PolarHBondContact O-N 3.07Å; E68-A71 VanDerWaalsContact O-N 3.09Å; K69-A71 VanDerWaalsContact C-N 3.32Å; A71-F73 VanDerWaalsContact C-N 3.35Å; A71-F73 PolarHBondContact O-N 2.9Å |
| 72 | G | 77.2 | Confident | 85.1 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 9% | 0.093 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E68 K69 A70 V74 P145 | E68-G72 PolarHBondContact O-N 3.45Å; K69-G72 PolarHBondContact O-N 3.2Å; A70-G72 PolarHBondContact O-N 2.87Å; G72-V74 PolarHBondContact O-N 3.23Å; G72-P145 WeakPolarHBondContact CA-O 3.31Å; G72-P145 WeakPolarHBondContact O-CD 3.47Å |
| 73 | F | 83.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 35% | 0.348 | C | S | . | . | trans | -68.4 | 120.2 | 179.6 | -175.8 | -92.1 | 0 | 0 | 0 | 111.6 | V13 P17 I64 E68 A71 L75 Q96 F144 | V13-F73 HydrophobicContact CG1-CE2 3.77Å; V13-F73 HydrophobicContact CG1-CZ 4.03Å; V13-F73 HydrophobicContact CG2-CE2 4.32Å; V13-F73 HydrophobicContact CG2-CZ 3.76Å; P17-F73 HydrophobicContact CG-CB 4.37Å; I64-F73 HydrophobicContact CD1-CD1 4.3Å; I64-F73 HydrophobicContact CD1-CE1 4.44Å; I64-F73 HydrophobicContact CG1-CD1 4.26Å; I64-F73 HydrophobicContact CG1-CE1 4.24Å; I64-F73 HydrophobicContact CG2-CD1 3.88Å; E68-F73 HydrophobicContact CB-CB 3.89Å; E68-F73 HydrophobicContact CB-CD1 4.18Å; E68-F73 HydrophobicContact CB-CG 4.23Å; E68-F73 WeakPolarHBondContact O-CB 3.4Å; E68-F73 PolarHBondContact O-N 2.86Å; A71-F73 VanDerWaalsContact C-N 3.35Å; A71-F73 PolarHBondContact O-N 2.9Å; F73-L75 HydrophobicContact CE1-CD1 4.11Å; F73-L75 HydrophobicContact CE1-CD2 4.16Å; F73-L75 HydrophobicContact CE1-CG 3.81Å; F73-L75 HydrophobicContact CZ-CD2 3.91Å; F73-L75 HydrophobicContact CZ-CG 4.1Å; F73-Q96 HydrophobicContact CE2-CG 4.15Å; F73-F144 HydrophobicContact CD2-CE1 4.18Å | ||
| 74 | V | 84 | Confident | 84.8 | Confident | 51 Ų | 51 | 57.1 Ų | 57.1 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | trans | -134.3 | 140.2 | -178.9 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | G72 L97 P145 | G72-V74 PolarHBondContact O-N 3.23Å; V74-L97 HydrophobicContact CB-CB 4.25Å; V74-L97 HydrophobicContact CB-CD2 4.32Å; V74-L97 HydrophobicContact CG1-CB 4.35Å; V74-L97 HydrophobicContact CG1-CD2 4.29Å; V74-L97 PolarHBondContact O-N 2.94Å; V74-P145 HydrophobicContact CG2-CG 4.11Å | ||
| 75 | L | 87 | Confident | 84.6 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 134.3 | 170.4 | -66.4 | 169.8 | 0 | 0 | 0 | 109.3 | V11 V13 P62 I64 F73 P77 S78 R95 Q96 | V11-L75 HydrophobicContact CG1-CD1 3.93Å; V11-L75 HydrophobicContact CG1-CD2 4.24Å; V13-L75 HydrophobicContact CG2-CD2 4.02Å; P62-L75 HydrophobicContact CB-CD1 3.6Å; P62-L75 HydrophobicContact CG-CB 4.24Å; P62-L75 HydrophobicContact CG-CD1 3.34Å; P62-L75 HydrophobicContact CG-CG 4.41Å; I64-L75 HydrophobicContact CD1-CB 4.41Å; I64-L75 HydrophobicContact CD1-CD1 4.36Å; I64-L75 HydrophobicContact CD1-CG 4.31Å; I64-L75 HydrophobicContact CG1-CD1 4.25Å; F73-L75 HydrophobicContact CE1-CD1 4.11Å; F73-L75 HydrophobicContact CE1-CD2 4.16Å; F73-L75 HydrophobicContact CE1-CG 3.81Å; F73-L75 HydrophobicContact CZ-CD2 3.91Å; F73-L75 HydrophobicContact CZ-CG 4.1Å; L75-P77 CarbonylContact O-C 3.5Å; L75-S78 WeakPolarHBondContact O-CA 3.43Å; L75-S78 PolarHBondContact O-N 2.84Å; L75-R95 CarbonylContact C-O 3.57Å; L75-R95 WeakPolarHBondContact CA-O 3.32Å; L75-Q96 HydrophobicContact CD2-CB 4.33Å |
| 76 | K | 82.6 | Confident | 84.3 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 140.3 | 170.7 | -82.7 | -147.3 | 178.5 | 173.3 | 0 | 112.2 | R95 L97 D170 | K76-R95 PolarHBondContact N-O 3.45Å; K76-R95 PolarHBondContact O-N 3.4Å; K76-L97 HydrophobicContact CD-CD1 4.41Å; K76-L97 HydrophobicContact CG-CD1 4.46Å; K76-D170 IonicContact NZ-OD2 2.84Å; K76-D170 PolarHBondContact NZ-OD2 3.1Å |
| 77 | P | 88.1 | Confident | 84 | Confident | 58 Ų | 58 | 65.1 Ų | 65.1 | 38% | 0.377 | 36% | 0.355 | S | S | . | . | S | Bend | cis | -63.3 | 155.6 | -17.9 | 31.3 | -36.2 | 0 | 0 | 0 | 110.4 | L75 S79 I80 F94 | L75-P77 CarbonylContact O-C 3.5Å; P77-S79 PolarHBondContact O-N 2.92Å; P77-I80 HydrophobicContact CB-CG1 4.4Å; P77-I80 HydrophobicContact CG-CD1 3.62Å; P77-I80 HydrophobicContact CG-CG1 3.31Å; P77-F94 WeakPolarHBondContact O-CD1 3.34Å; P77-F94 WeakPolarHBondContact O-CE1 3.39Å |
| 78 | S | 86.8 | Confident | 83.7 | Confident | 84 Ų | 84 | 66 Ų | 66 | 59% | 0.587 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -65.8 | -29.1 | 179 | 54 | 0 | 0 | 0 | 0 | 112.6 | L75 | L75-S78 WeakPolarHBondContact O-CA 3.43Å; L75-S78 PolarHBondContact O-N 2.84Å |
| 79 | S | 90.7 | Very high | 83.6 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 29% | 0.287 | 38% | 0.383 | S | S | . | . | trans | -150.2 | 142.7 | -178.4 | 68.3 | 0 | 0 | 0 | 0 | 110.4 | V60 E61 P77 | V60-S79 CarbonylContact O-C 3.51Å; V60-S79 VanDerWaalsContact O-CA 3.26Å; V60-S79 WeakPolarHBondContact O-CA 3.39Å; E61-S79 VanDerWaalsContact CG-CB 3.4Å; P77-S79 PolarHBondContact O-N 2.92Å | ||
| 80 | I | 92.6 | Very high | 83.9 | Confident | 35 Ų | 35 | 68.3 Ų | 68.3 | 18% | 0.179 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.3 | 175 | -63.3 | 173.9 | 0 | 0 | 0 | 109.3 | V60 P77 V82 I92 F94 | V60-I80 PolarHBondContact N-O 2.89Å; V60-I80 PolarHBondContact O-N 2.77Å; P77-I80 HydrophobicContact CB-CG1 4.4Å; P77-I80 HydrophobicContact CG-CD1 3.62Å; P77-I80 HydrophobicContact CG-CG1 3.31Å; I80-V82 HydrophobicContact CG2-CG2 4.08Å; I80-I92 HydrophobicContact CD1-CB 3.86Å; I80-I92 HydrophobicContact CD1-CG2 4.24Å; I80-I92 HydrophobicContact CG2-CG2 3.87Å; I80-F94 HydrophobicContact CB-CZ 4.23Å; I80-F94 HydrophobicContact CD1-CE1 4Å; I80-F94 HydrophobicContact CD1-CE2 4.25Å; I80-F94 HydrophobicContact CD1-CZ 3.83Å; I80-F94 HydrophobicContact CG1-CE1 3.93Å; I80-F94 HydrophobicContact CG1-CZ 3.89Å |
| 81 | K | 91.8 | Very high | 84.4 | Confident | 150 Ų | 150 | 69.2 Ų | 69.2 | 65% | 0.652 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 114.9 | 173.5 | -173.6 | 179.6 | -179 | 179.7 | 0 | 110 | T57 F58 | T57-K81 HydrophobicContact CG2-CD 4.13Å; T57-K81 HydrophobicContact CG2-CG 3.78Å; F58-K81 CarbonylContact O-C 3.57Å; F58-K81 WeakPolarHBondContact O-CA 3.25Å |
| 82 | V | 90.1 | Very high | 85 | Confident | 9 Ų | 9 | 69 Ų | 69 | 6% | 0.055 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.6 | 178.1 | 176.4 | 0 | 0 | 0 | 0 | 109.1 | T57 F58 V60 I80 V84 L89 I92 | T57-V82 CarbonylContact C-O 3.54Å; T57-V82 WeakPolarHBondContact CA-O 3.4Å; F58-V82 PolarHBondContact N-O 3.21Å; F58-V82 PolarHBondContact O-N 2.84Å; V60-V82 HydrophobicContact CG2-CB 4.19Å; V60-V82 HydrophobicContact CG2-CG2 3.7Å; I80-V82 HydrophobicContact CG2-CG2 4.08Å; V82-V84 HydrophobicContact CG1-CG2 4.04Å; V82-L89 HydrophobicContact CG1-CD1 4.28Å; V82-L89 HydrophobicContact CG1-CD2 4.06Å; V82-I92 HydrophobicContact CG2-CD1 4.38Å; V82-I92 HydrophobicContact CG2-CG2 3.91Å |
| 83 | T | 89.3 | Confident | 85.7 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 50% | 0.503 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 112.6 | 173.4 | -58.8 | 0 | 0 | 0 | 0 | 109.7 | T57 L89 | T57-T83 PolarHBondContact OG1-OG1 3.43Å; T83-L89 WeakPolarHBondContact O-CD2 2.99Å |
| 84 | V | 86.3 | Confident | 86 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.024 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 106.6 | -177.7 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | I5 L53 P54 H55 G56 F58 V82 L89 | I5-V84 HydrophobicContact CB-CG1 3.87Å; I5-V84 HydrophobicContact CD1-CG1 4.01Å; I5-V84 HydrophobicContact CG1-CG1 4.23Å; L53-V84 HydrophobicContact CB-CG1 4.48Å; L53-V84 HydrophobicContact CB-CG2 3.86Å; L53-V84 HydrophobicContact CD1-CG2 3.94Å; P54-V84 WeakPolarHBondContact O-CB 3.29Å; P54-V84 WeakPolarHBondContact O-CG1 3.49Å; H55-V84 VanDerWaalsContact CA-O 3.32Å; H55-V84 WeakPolarHBondContact CA-O 3.3Å; G56-V84 PolarHBondContact N-O 2.94Å; G56-V84 VanDerWaalsContact N-O 3.1Å; G56-V84 PolarHBondContact O-N 2.66Å; F58-V84 HydrophobicContact CD2-CG2 3.84Å; F58-V84 HydrophobicContact CE2-CB 4.5Å; F58-V84 HydrophobicContact CE2-CG2 4.02Å; V82-V84 HydrophobicContact CG1-CG2 4.04Å; V84-L89 HydrophobicContact CG1-CD1 4.31Å; V84-L89 HydrophobicContact CG2-CD1 3.96Å |
| 85 | A | 82.6 | Confident | 86.1 | Confident | 47 Ų | 47 | 76.9 Ų | 76.9 | 39% | 0.388 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -136.2 | -172.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | I5 R87 | I5-A85 WeakPolarHBondContact CD1-O 3.15Å; A85-R87 PolarHBondContact O-N 2.77Å |
| 86 | D | 78 | Confident | 86 | Confident | 138 Ų | 138 | 77.6 Ų | 77.6 | 74% | 0.738 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -69.4 | 30.3 | -172.6 | -59.2 | -57.8 | 0 | 0 | 0 | 116.8 | H55 | H55-D86 IonicContact CE1-OD1 2.97Å; H55-D86 PolarHBondContact CE1-OD1 3.3Å; H55-D86 IonicContact NE2-OD1 3.62Å |
| 87 | R | 75.3 | Confident | 85.9 | Confident | 213 Ų | 213 | 74.4 Ų | 74.4 | 80% | 0.804 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -124.3 | 153.4 | 178.8 | -67.9 | -174.4 | -179.8 | -172.9 | 0 | 111.3 | A85 L89 | A85-R87 PolarHBondContact O-N 2.77Å; R87-L89 PolarHBondContact O-N 3.23Å |
| 88 | A | 74.8 | Confident | 85.5 | Confident | 99 Ų | 99 | 74.5 Ų | 74.5 | 82% | 0.818 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 132.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 89 | L | 81.7 | Confident | 85.5 | Confident | 38 Ų | 38 | 70.5 Ų | 70.5 | 20% | 0.199 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 138.3 | 177.6 | -63 | 169.4 | 0 | 0 | 0 | 109.3 | I5 Q7 V82 T83 V84 R87 | I5-L89 HydrophobicContact CB-CD1 4.32Å; I5-L89 HydrophobicContact CG2-CD1 3.74Å; I5-L89 HydrophobicContact CG2-CG 3.99Å; Q7-L89 HydrophobicContact CB-CD1 3.96Å; Q7-L89 VanDerWaalsContact OE1-CB 3.28Å; V82-L89 HydrophobicContact CG1-CD1 4.28Å; V82-L89 HydrophobicContact CG1-CD2 4.06Å; T83-L89 WeakPolarHBondContact O-CD2 2.99Å; V84-L89 HydrophobicContact CG1-CD1 4.31Å; V84-L89 HydrophobicContact CG2-CD1 3.96Å; R87-L89 PolarHBondContact O-N 3.23Å |
| 90 | E | 85.3 | Confident | 85.6 | Confident | 173 Ų | 173 | 72.9 Ų | 72.9 | 81% | 0.808 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 147.2 | 172.5 | -67 | -178.5 | 177.7 | 0 | 0 | 110.6 | Q7 I92 | Q7-E90 PolarHBondContact NE2-O 2.87Å; E90-I92 PolarHBondContact O-N 3.49Å |
| 91 | D | 87.1 | Confident | 85.6 | Confident | 110 Ų | 110 | 71.2 Ų | 71.2 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -65 | 127 | 175.5 | -79.6 | -14.6 | 0 | 0 | 0 | 110.7 | C8 | C8-D91 WeakPolarHBondContact CB-OD1 3.01Å; C8-D91 WeakPolarHBondContact O-CA 3.44Å |
| 92 | I | 91 | Very high | 85.8 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 137.3 | 178.7 | 56.1 | 173.9 | 0 | 0 | 0 | 110.4 | Q7 C8 G9 K10 F49 V60 I80 V82 E90 F94 | Q7-I92 HydrophobicContact CG-CD1 4.18Å; Q7-I92 HydrophobicContact CG-CG1 4.45Å; C8-I92 PolarHBondContact O-N 2.71Å; C8-I92 VanDerWaalsContact O-N 3.15Å; G9-I92 CarbonylContact C-O 3.5Å; G9-I92 WeakPolarHBondContact CA-O 3.38Å; K10-I92 PolarHBondContact N-O 3.44Å; F49-I92 HydrophobicContact CE2-CD1 3.97Å; F49-I92 HydrophobicContact CE2-CG1 4.19Å; F49-I92 HydrophobicContact CZ-CD1 3.74Å; F49-I92 HydrophobicContact CZ-CG1 3.75Å; V60-I92 HydrophobicContact CB-CD1 3.91Å; V60-I92 HydrophobicContact CG1-CD1 3.56Å; V60-I92 HydrophobicContact CG2-CD1 4.06Å; I80-I92 HydrophobicContact CD1-CB 3.86Å; I80-I92 HydrophobicContact CD1-CG2 4.24Å; I80-I92 HydrophobicContact CG2-CG2 3.87Å; V82-I92 HydrophobicContact CG2-CD1 4.38Å; V82-I92 HydrophobicContact CG2-CG2 3.91Å; E90-I92 PolarHBondContact O-N 3.49Å; I92-F94 HydrophobicContact CD1-CE2 4.1Å |
| 93 | T | 90.7 | Very high | 86 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 128.2 | -178.4 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | K10 R95 | K10-T93 CarbonylContact O-C 3.49Å; K10-T93 WeakPolarHBondContact O-CA 3.3Å; T93-R95 HydrophobicContact CG2-CG 3.88Å |
| 94 | F | 91 | Very high | 86.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125 | 168.4 | -63.7 | -83.8 | 0 | 0 | 0 | 108 | K10 V11 T12 F49 V60 P62 P77 I80 I92 | K10-F94 PolarHBondContact O-N 2.91Å; V11-F94 CarbonylContact C-O 3.53Å; V11-F94 WeakPolarHBondContact CA-O 3.18Å; V11-F94 HydrophobicContact CG1-CB 4.27Å; V11-F94 HydrophobicContact CG2-CB 4.26Å; V11-F94 HydrophobicContact CG2-CD2 4.19Å; T12-F94 PolarHBondContact N-O 3.5Å; F49-F94 HydrophobicContact CE1-CD2 4.38Å; F49-F94 HydrophobicContact CZ-CD2 4.4Å; F49-F94 HydrophobicContact CZ-CE2 4.2Å; V60-F94 HydrophobicContact CB-CZ 4.36Å; V60-F94 HydrophobicContact CG1-CE2 4.2Å; V60-F94 HydrophobicContact CG1-CZ 4.23Å; V60-F94 VanDerWaalsContact O-CZ 3.3Å; V60-F94 WeakPolarHBondContact O-CZ 3.21Å; P62-F94 VanDerWaalsContact CD-CD1 3.48Å; P62-F94 HydrophobicContact CG-CB 4.25Å; P62-F94 HydrophobicContact CG-CD1 3.64Å; P62-F94 HydrophobicContact CG-CD2 4.36Å; P62-F94 HydrophobicContact CG-CE1 4.08Å; P62-F94 HydrophobicContact CG-CG 3.81Å; P77-F94 WeakPolarHBondContact O-CD1 3.34Å; P77-F94 WeakPolarHBondContact O-CE1 3.39Å; I80-F94 HydrophobicContact CB-CZ 4.23Å; I80-F94 HydrophobicContact CD1-CE1 4Å; I80-F94 HydrophobicContact CD1-CE2 4.25Å; I80-F94 HydrophobicContact CD1-CZ 3.83Å; I80-F94 HydrophobicContact CG1-CE1 3.93Å; I80-F94 HydrophobicContact CG1-CZ 3.89Å; I92-F94 HydrophobicContact CD1-CE2 4.1Å |
| 95 | R | 86.3 | Confident | 86.4 | Confident | 170 Ų | 170 | 67.9 Ų | 67.9 | 64% | 0.642 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 143.1 | 176.3 | -62.5 | -171.9 | 176.8 | -173.6 | -1.2 | 109.8 | L75 K76 T93 L97 | L75-R95 CarbonylContact C-O 3.57Å; L75-R95 WeakPolarHBondContact CA-O 3.32Å; K76-R95 PolarHBondContact N-O 3.45Å; K76-R95 PolarHBondContact O-N 3.4Å; T93-R95 HydrophobicContact CG2-CG 3.88Å; R95-L97 PolarHBondContact O-N 3.09Å |
| 96 | Q | 84.5 | Confident | 86.9 | Confident | 16 Ų | 16 | 69.9 Ų | 69.9 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 135 | 165.8 | -174.7 | 177.3 | -10.4 | 0 | 0 | 110.9 | T12 T14 H15 F73 L75 E98 | T12-Q96 PolarHBondContact O-N 3.26Å; T14-Q96 PolarHBondContact OG1-OE1 3.25Å; H15-Q96 VanDerWaalsContact N-OE1 3.11Å; H15-Q96 VanDerWaalsContact O-CD 3.29Å; H15-Q96 PolarHBondContact O-NE2 2.84Å; H15-Q96 PolarHBondContact O-OE1 2.01Å; H15-Q96 VanDerWaalsContact O-OE1 3.05Å; F73-Q96 HydrophobicContact CE2-CG 4.15Å; L75-Q96 HydrophobicContact CD2-CB 4.33Å; Q96-E98 HydrophobicContact CG-CG 3.98Å; Q96-E98 PolarHBondContact O-N 3.48Å; Q96-E98 PolarHBondContact OE1-OE1 3.11Å |
| 97 | L | 80.2 | Confident | 87.4 | Confident | 24 Ų | 24 | 65 Ų | 65 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | trans | -79.9 | 109.1 | 168.1 | 178.7 | 73.8 | 0 | 0 | 0 | 107.7 | V74 K76 R95 P145 D170 | V74-L97 HydrophobicContact CB-CB 4.25Å; V74-L97 HydrophobicContact CB-CD2 4.32Å; V74-L97 HydrophobicContact CG1-CB 4.35Å; V74-L97 HydrophobicContact CG1-CD2 4.29Å; V74-L97 PolarHBondContact O-N 2.94Å; K76-L97 HydrophobicContact CD-CD1 4.41Å; K76-L97 HydrophobicContact CG-CD1 4.46Å; R95-L97 PolarHBondContact O-N 3.09Å; L97-P145 HydrophobicContact CD2-CG 3.82Å; L97-D170 HydrophobicContact CD2-CB 4.08Å | ||
| 98 | E | 79.7 | Confident | 88.1 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | trans | -113.5 | 112.8 | 171 | -68.8 | 176.2 | 167.9 | 0 | 0 | 106.4 | T14 H15 Q96 N142 | T14-E98 PolarHBondContact OG1-OE1 3.26Å; H15-E98 IonicContact CE1-OE1 3.12Å; H15-E98 IonicContact CG-OE1 2.69Å; H15-E98 IonicContact ND1-OE1 2.78Å; H15-E98 PolarHBondContact ND1-OE1 2.79Å; H15-E98 IonicContact ND1-OE2 2.73Å; Q96-E98 HydrophobicContact CG-CG 3.98Å; Q96-E98 PolarHBondContact O-N 3.48Å; Q96-E98 PolarHBondContact OE1-OE1 3.11Å; E98-N142 PolarHBondContact OE2-OD1 2.87Å | ||
| 99 | A | 87.3 | Confident | 88.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 161.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I143 V168 D172 | A99-I143 PolarHBondContact N-O 2.96Å; A99-I143 WeakPolarHBondContact O-CB 3.21Å; A99-I143 PolarHBondContact O-N 2.71Å; A99-V168 HydrophobicContact CB-CG1 3.49Å; A99-V168 VanDerWaalsContact CB-CG1 3.49Å; A99-D172 WeakPolarHBondContact CA-OD1 3.37Å |
| 100 | R | 91.2 | Very high | 88.6 | Confident | 90 Ų | 90 | 60.5 Ų | 60.5 | 34% | 0.34 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 142.2 | 170.4 | -67.6 | 150.4 | 35.4 | 111.4 | 16.8 | 109.9 | E139 F140 Q141 D172 V173 | R100-E139 HydrophobicContact CB-CG 4.42Å; R100-E139 WeakPolarHBondContact CG-OE1 3.15Å; R100-E139 IonicContact CZ-OE1 2.82Å; R100-E139 IonicContact CZ-OE2 3.07Å; R100-E139 IonicContact NE-OE1 3.63Å; R100-E139 PolarHBondContact NE-OE1 3.42Å; R100-E139 VanDerWaalsContact NH1-CD 3.28Å; R100-E139 IonicContact NH1-OE1 3.46Å; R100-E139 PolarHBondContact NH1-OE1 2.67Å; R100-E139 IonicContact NH1-OE2 3.47Å; R100-E139 PolarHBondContact NH1-OE2 3.03Å; R100-E139 IonicContact NH2-OE1 3.37Å; R100-E139 PolarHBondContact NH2-OE1 2.9Å; R100-E139 IonicContact NH2-OE2 2.99Å; R100-E139 PolarHBondContact NH2-OE2 3.28Å; R100-F140 WeakPolarHBondContact CA-O 3.33Å; R100-Q141 HydrophobicContact CG-CG 4.41Å; R100-D172 HydrophobicContact CB-CB 4.4Å; R100-D172 PolarHBondContact N-OD1 2.9Å; R100-D172 IonicContact NE-OD2 3.17Å; R100-D172 PolarHBondContact NE-OD2 2.91Å; R100-D172 CarbonylContact O-C 3.58Å; R100-D172 WeakPolarHBondContact O-CA 3.24Å; R100-V173 PolarHBondContact O-N 2.91Å |
| 101 | I | 94.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.9 | 164.2 | -61.8 | 175 | 0 | 0 | 0 | 107 | L118 E139 F140 I143 Y148 V150 V166 V168 V173 V176 | I101-L118 HydrophobicContact CD1-CD1 3.91Å; I101-L118 HydrophobicContact CD1-CD2 4.36Å; I101-E139 CarbonylContact O-C 3.49Å; I101-E139 WeakPolarHBondContact O-CA 3.26Å; I101-F140 HydrophobicContact CB-CB 4.41Å; I101-F140 HydrophobicContact CB-CD2 4.29Å; I101-F140 HydrophobicContact CG2-CD2 4.35Å; I101-F140 PolarHBondContact N-O 2.87Å; I101-F140 PolarHBondContact O-N 2.79Å; I101-I143 HydrophobicContact CD1-CG1 4.33Å; I101-I143 HydrophobicContact CD1-CG2 3.95Å; I101-I143 HydrophobicContact CG1-CG1 4.23Å; I101-I143 HydrophobicContact CG1-CG2 4.28Å; I101-Y148 HydrophobicContact CD1-CD2 4.28Å; I101-Y148 HydrophobicContact CD1-CG 4.32Å; I101-V150 HydrophobicContact CG2-CG2 4.35Å; I101-V166 HydrophobicContact CD1-CG1 4.14Å; I101-V166 HydrophobicContact CG1-CG1 4.46Å; I101-V168 HydrophobicContact CD1-CG2 3.81Å; I101-V168 HydrophobicContact CG1-CG2 3.91Å; I101-V173 CarbonylContact C-O 3.59Å; I101-V173 WeakPolarHBondContact CA-O 3.11Å; I101-V173 HydrophobicContact CG1-CB 4.47Å; I101-V176 HydrophobicContact CG2-CB 4.45Å; I101-V176 HydrophobicContact CG2-CG2 3.84Å |
| 102 | S | 94.5 | Very high | 88 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 16% | 0.161 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149 | 179.4 | 72 | 0 | 0 | 0 | 0 | 112.8 | Y138 V173 N174 S175 V176 | S102-Y138 WeakPolarHBondContact CA-O 3.28Å; S102-V173 PolarHBondContact N-O 2.72Å; S102-N174 CarbonylContact O-C 3.52Å; S102-N174 PolarHBondContact OG-OD1 2.85Å; S102-S175 PolarHBondContact O-N 2.97Å; S102-S175 VanDerWaalsContact O-N 3.13Å; S102-V176 PolarHBondContact O-N 3.25Å; S102-V176 VanDerWaalsContact O-N 3.11Å |
| 103 | G | 94.2 | Very high | 87.7 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 167.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A137 Y138 V176 D177 | G103-A137 WeakPolarHBondContact O-CA 3.16Å; G103-Y138 PolarHBondContact N-O 2.89Å; G103-Y138 VanDerWaalsContact N-O 3.09Å; G103-Y138 WeakPolarHBondContact O-CD1 3.32Å; G103-Y138 PolarHBondContact O-N 3.27Å; G103-V176 WeakPolarHBondContact CA-O 3.38Å; G103-D177 WeakPolarHBondContact CA-OD1 3.38Å |
| 104 | R | 92.7 | Very high | 87.6 | Confident | 148 Ų | 148 | 53.6 Ų | 53.6 | 56% | 0.558 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 148.2 | 176.9 | -63.2 | -178.5 | 179.7 | -178.8 | -0.2 | 110.8 | P136 A137 D177 F178 | R104-P136 CarbonylContact C-O 3.6Å; R104-P136 WeakPolarHBondContact CA-O 3.33Å; R104-A137 HydrophobicContact CG-CB 4.46Å; R104-D177 PolarHBondContact N-OD1 3Å; R104-D177 VanDerWaalsContact O-CA 3.26Å; R104-D177 WeakPolarHBondContact O-CA 3.43Å; R104-D177 WeakPolarHBondContact O-CB 3.39Å; R104-F178 PolarHBondContact O-N 3.12Å |
| 105 | L | 92.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 113.4 | 171.2 | -54.6 | -179.2 | 0 | 0 | 0 | 108.7 | C107 V114 V116 A130 P136 Y138 T152 W159 F178 | L105-C107 PolarHBondContact O-N 3.27Å; L105-V114 HydrophobicContact CD1-CB 3.48Å; L105-V114 VanDerWaalsContact CD1-CB 3.48Å; L105-V114 HydrophobicContact CD1-CG1 3.45Å; L105-V114 VanDerWaalsContact CD1-CG1 3.45Å; L105-V114 HydrophobicContact CD1-CG2 4.01Å; L105-V116 HydrophobicContact CD2-CG2 4.36Å; L105-A130 HydrophobicContact CD1-CB 3.57Å; L105-A130 HydrophobicContact CG-CB 4.36Å; L105-P136 HydrophobicContact CB-CB 4.28Å; L105-P136 HydrophobicContact CD1-CB 4.17Å; L105-P136 HydrophobicContact CG-CB 4.46Å; L105-P136 PolarHBondContact N-O 3.04Å; L105-Y138 HydrophobicContact CD2-CD1 4.25Å; L105-Y138 HydrophobicContact CD2-CE1 4.11Å; L105-Y138 HydrophobicContact CG-CD1 4.48Å; L105-T152 HydrophobicContact CD2-CG2 4.35Å; L105-W159 HydrophobicContact CB-CH2 4.36Å; L105-W159 HydrophobicContact CD1-CH2 4.48Å; L105-W159 HydrophobicContact CD2-CH2 4.07Å; L105-W159 HydrophobicContact CD2-CZ3 4.34Å; L105-F178 HydrophobicContact CD2-CB 3.88Å; L105-F178 HydrophobicContact CD2-CD2 4.36Å; L105-F178 HydrophobicContact CD2-CG 4.49Å |
| 106 | L | 92.1 | Very high | 88 | Confident | 88 Ų | 88 | 48 Ų | 48 | 46% | 0.461 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 88.4 | 175.2 | -56.6 | 177.5 | 0 | 0 | 0 | 108.3 | F178 Q180 | L106-F178 PolarHBondContact N-O 2.8Å; L106-Q180 PolarHBondContact O-N 2.99Å |
| 107 | C | 89.7 | Confident | 88.5 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 24% | 0.236 | 24% | 0.237 | C | C | . | . | trans | -89.8 | 147.1 | -177.2 | -58.2 | 0 | 0 | 0 | 0 | 112 | L105 E109 C111 | L105-C107 PolarHBondContact O-N 3.27Å; C107-E109 VanDerWaalsContact C-N 3.28Å; C107-E109 WeakPolarHBondContact CB-O 3.23Å; C107-C111 HydrophobicContact CB-CB 3.78Å; C107-C111 WeakPolarHBondContact CB-SG 3.48Å; C107-C111 WeakPolarHBondContact SG-CB 3.33Å; C107-C111 CovalentContact SG-SG 2.01Å; C107-C111 PolarHBondContact SG-SG 3.11Å | ||
| 108 | I | 89.9 | Confident | 89.2 | Confident | 73 Ų | 73 | 46.1 Ų | 46.1 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -66.8 | -37 | 176.8 | -61.7 | 171.8 | 0 | 0 | 0 | 109.9 | Q180 P221 I222 | I108-Q180 HydrophobicContact CD1-CG 4.09Å; I108-Q180 HydrophobicContact CG1-CB 4.19Å; I108-Q180 HydrophobicContact CG1-CG 4.15Å; I108-P221 WeakPolarHBondContact CD1-O 3.35Å; I108-I222 HydrophobicContact CG2-CG2 4.46Å |
| 109 | E | 83.7 | Confident | 89.9 | Confident | 71 Ų | 71 | 45.4 Ų | 45.4 | 33% | 0.332 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -132.9 | 176.4 | 174 | -63.7 | -179.4 | -160.9 | 0 | 0 | 109.6 | C107 C111 R223 | C107-E109 VanDerWaalsContact C-N 3.28Å; C107-E109 WeakPolarHBondContact CB-O 3.23Å; E109-C111 PolarHBondContact O-N 2.81Å; E109-R223 WeakPolarHBondContact OE1-CB 3.34Å; E109-R223 PolarHBondContact OE1-N 3.2Å; E109-R223 VanDerWaalsContact OE1-N 3.12Å; E109-R223 WeakPolarHBondContact OE2-CB 3.35Å; E109-R223 WeakPolarHBondContact OE2-CD 3.26Å |
| 110 | Q | 82 | Confident | 90 | Very high | 112 Ų | 112 | 48.2 Ų | 48.2 | 52% | 0.523 | 24% | 0.24 | S | C | . | . | trans | -60.9 | 109.7 | 177.8 | -174.8 | 66.1 | 55.8 | 0 | 0 | 110.3 | S133 | Q110-S133 PolarHBondContact NE2-O 2.61Š| ||
| 111 | C | 81.7 | Confident | 89.7 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 8% | 0.081 | 26% | 0.257 | C | S | . | . | trans | -87.5 | 139 | 171.1 | 46.4 | 0 | 0 | 0 | 0 | 109.4 | C107 E109 V114 | C107-C111 HydrophobicContact CB-CB 3.78Å; C107-C111 WeakPolarHBondContact CB-SG 3.48Å; C107-C111 WeakPolarHBondContact SG-CB 3.33Å; C107-C111 CovalentContact SG-SG 2.01Å; C107-C111 PolarHBondContact SG-SG 3.11Å; E109-C111 PolarHBondContact O-N 2.81Å; C111-V114 HydrophobicContact CB-CG2 4.05Å | ||
| 112 | S | 79.3 | Confident | 89.3 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 59% | 0.594 | 29% | 0.292 | S | S | * | . | trans | -125.3 | 152.2 | 172.3 | 61.2 | 0 | 0 | 0 | 0 | 108.9 | V114 | S112-V114 VanDerWaalsContact C-N 3.33Å; S112-V114 PolarHBondContact O-N 2.99Å | ||
| 113 | D | 83.5 | Confident | 88.9 | Confident | 110 Ų | 110 | 57 Ų | 57 | 59% | 0.588 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 62.9 | 27.3 | 171 | -50.3 | -45.7 | 0 | 0 | 0 | 116.6 | H115 L129 E154 | D113-H115 PolarHBondContact O-N 2.77Å; D113-L129 HydrophobicContact CB-CD1 4.5Å; D113-E154 VanDerWaalsContact O-OE1 3.13Å |
| 114 | V | 89.9 | Confident | 88.8 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | trans | -78.6 | 116.4 | 178.4 | -178 | 0 | 0 | 0 | 0 | 111.2 | L105 C111 S112 A130 E154 L157 W159 | L105-V114 HydrophobicContact CD1-CB 3.48Å; L105-V114 VanDerWaalsContact CD1-CB 3.48Å; L105-V114 HydrophobicContact CD1-CG1 3.45Å; L105-V114 VanDerWaalsContact CD1-CG1 3.45Å; L105-V114 HydrophobicContact CD1-CG2 4.01Å; C111-V114 HydrophobicContact CB-CG2 4.05Å; S112-V114 VanDerWaalsContact C-N 3.33Å; S112-V114 PolarHBondContact O-N 2.99Å; V114-A130 PolarHBondContact O-N 3.08Å; V114-E154 HydrophobicContact CB-CG 4.13Å; V114-E154 HydrophobicContact CG1-CG 3.78Å; V114-E154 HydrophobicContact CG2-CG 4.25Å; V114-L157 HydrophobicContact CG2-CD1 3.79Å; V114-W159 HydrophobicContact CG1-CH2 4.44Å; V114-W159 HydrophobicContact CG1-CZ2 3.98Å | ||
| 115 | H | 92.2 | Very high | 88.5 | Confident | 52 Ų | 52 | 58.8 Ų | 58.8 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 140.1 | 171.2 | -75.9 | -80 | 0 | 0 | 0 | 112.6 | D113 R127 V128 D153 E154 | D113-H115 PolarHBondContact O-N 2.77Å; H115-R127 HydrophobicContact CB-CG 4.3Å; H115-R127 PolarHBondContact CD2-NH2 3.41Å; H115-R127 VanDerWaalsContact CG-CZ 3.46Å; H115-V128 CarbonylContact C-O 3.52Å; H115-V128 WeakPolarHBondContact CA-O 3.43Å; H115-D153 HydrophobicContact CB-CB 3.97Å; H115-D153 PolarHBondContact O-N 3.33Å; H115-E154 IonicContact CD2-OE1 3.41Å; H115-E154 PolarHBondContact N-OE1 2.82Å |
| 116 | V | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128.2 | 173.4 | -170.6 | 0 | 0 | 0 | 0 | 108.8 | L105 R127 V128 Y138 F140 V150 T152 | L105-V116 HydrophobicContact CD2-CG2 4.36Å; V116-R127 CarbonylContact O-C 3.56Å; V116-R127 WeakPolarHBondContact O-CA 3.1Å; V116-V128 HydrophobicContact CB-CG2 4.29Å; V116-V128 PolarHBondContact N-O 2.85Å; V116-V128 PolarHBondContact O-N 2.86Å; V116-Y138 HydrophobicContact CB-CD1 4.41Å; V116-Y138 HydrophobicContact CB-CD2 4.23Å; V116-Y138 HydrophobicContact CB-CE2 4.49Å; V116-Y138 HydrophobicContact CB-CG 4.17Å; V116-Y138 HydrophobicContact CG1-CD1 4.45Å; V116-Y138 HydrophobicContact CG1-CD2 4.03Å; V116-Y138 HydrophobicContact CG1-CE1 4.22Å; V116-Y138 HydrophobicContact CG1-CE2 3.81Å; V116-Y138 HydrophobicContact CG1-CG 4.33Å; V116-Y138 HydrophobicContact CG2-CD1 3.74Å; V116-Y138 HydrophobicContact CG2-CD2 4.44Å; V116-Y138 HydrophobicContact CG2-CE1 4.05Å; V116-Y138 HydrophobicContact CG2-CG 3.92Å; V116-F140 HydrophobicContact CB-CZ 4.25Å; V116-F140 HydrophobicContact CG1-CE2 4.09Å; V116-F140 HydrophobicContact CG1-CZ 3.97Å; V116-F140 WeakPolarHBondContact O-CZ 3.04Å; V116-V150 HydrophobicContact CG1-CG1 3.36Å; V116-T152 HydrophobicContact CG2-CG2 4.47Å |
| 117 | S | 94.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 143.9 | 179.2 | -84.6 | 0 | 0 | 0 | 0 | 111.8 | K124 N126 R127 V150 I151 D153 | S117-K124 WeakPolarHBondContact OG-CD 3.43Å; S117-N126 WeakPolarHBondContact CA-O 3.43Å; S117-R127 WeakPolarHBondContact OG-CG 3.45Å; S117-V150 WeakPolarHBondContact O-CA 3.39Å; S117-I151 PolarHBondContact N-O 3.09Å; S117-I151 PolarHBondContact O-N 3.22Å; S117-D153 WeakPolarHBondContact CB-OD1 3.26Å; S117-D153 WeakPolarHBondContact CB-OD2 3.42Å; S117-D153 VanDerWaalsContact OG-CG 3.3Å; S117-D153 PolarHBondContact OG-OD1 2.84Å; S117-D153 PolarHBondContact OG-OD2 2.87Å |
| 118 | L | 94.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.4 | 174.8 | -172.9 | 68.8 | 0 | 0 | 0 | 109.1 | I101 I125 N126 F140 I143 Y148 V150 | I101-L118 HydrophobicContact CD1-CD1 3.91Å; I101-L118 HydrophobicContact CD1-CD2 4.36Å; L118-I125 HydrophobicContact CB-CD1 4.43Å; L118-I125 HydrophobicContact CB-CG1 4.04Å; L118-I125 HydrophobicContact CD2-CD1 3.5Å; L118-I125 HydrophobicContact CD2-CG1 4.02Å; L118-I125 HydrophobicContact CG-CD1 3.76Å; L118-I125 HydrophobicContact CG-CG1 3.87Å; L118-I125 WeakPolarHBondContact O-CG1 3.32Å; L118-I125 PolarHBondContact O-N 3.44Å; L118-N126 HydrophobicContact CB-CB 4.32Å; L118-N126 PolarHBondContact N-O 3.13Å; L118-N126 PolarHBondContact O-N 3.12Å; L118-F140 HydrophobicContact CB-CD1 4.01Å; L118-F140 HydrophobicContact CB-CD2 4.28Å; L118-F140 HydrophobicContact CB-CE1 3.75Å; L118-F140 HydrophobicContact CB-CE2 4.05Å; L118-F140 HydrophobicContact CB-CG 4.25Å; L118-F140 HydrophobicContact CB-CZ 3.77Å; L118-F140 HydrophobicContact CD1-CD2 4.38Å; L118-F140 HydrophobicContact CD1-CE2 4.45Å; L118-F140 HydrophobicContact CD2-CB 4.14Å; L118-F140 HydrophobicContact CD2-CD1 4.32Å; L118-F140 HydrophobicContact CD2-CD2 4.36Å; L118-F140 HydrophobicContact CD2-CG 4.03Å; L118-I143 HydrophobicContact CD2-CD1 3.48Å; L118-I143 VanDerWaalsContact CD2-CD1 3.48Å; L118-I143 HydrophobicContact CD2-CG1 4.37Å; L118-Y148 HydrophobicContact CD1-CD1 4.18Å; L118-Y148 HydrophobicContact CD1-CG 4.21Å; L118-Y148 HydrophobicContact CD2-CD1 4.1Å; L118-Y148 HydrophobicContact CG-CD1 4.05Å; L118-V150 HydrophobicContact CD1-CG2 3.73Å |
| 119 | F | 93.5 | Very high | 88.7 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 20% | 0.197 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 145 | 177.9 | -70.3 | -104.2 | 0 | 0 | 0 | 110.8 | V123 K124 Y148 T149 I151 | F119-V123 CarbonylContact C-O 3.43Å; F119-V123 VanDerWaalsContact CA-O 3.26Å; F119-V123 WeakPolarHBondContact CA-O 3.14Å; F119-K124 HydrophobicContact CD1-CB 3.92Å; F119-K124 VanDerWaalsContact CD1-N 3.33Å; F119-K124 HydrophobicContact CE1-CB 3.54Å; F119-K124 HydrophobicContact CE1-CG 4.3Å; F119-K124 HydrophobicContact CE2-CB 4.43Å; F119-K124 HydrophobicContact CE2-CG 4.33Å; F119-K124 HydrophobicContact CZ-CB 3.82Å; F119-K124 HydrophobicContact CZ-CD 4.17Å; F119-K124 HydrophobicContact CZ-CG 4.08Å; F119-Y148 CarbonylContact O-C 3.55Å; F119-Y148 VanDerWaalsContact O-CA 3.24Å; F119-Y148 WeakPolarHBondContact O-CA 3.36Å; F119-T149 PolarHBondContact N-O 2.68Å; F119-T149 PolarHBondContact O-N 2.89Å; F119-I151 HydrophobicContact CD2-CB 4.47Å; F119-I151 HydrophobicContact CD2-CD1 3.85Å; F119-I151 HydrophobicContact CD2-CG1 4.14Å; F119-I151 HydrophobicContact CE2-CB 4.21Å; F119-I151 HydrophobicContact CE2-CD1 3.81Å; F119-I151 HydrophobicContact CE2-CG1 4.23Å; F119-I151 HydrophobicContact CZ-CD1 4.45Å |
| 120 | Q | 89.6 | Confident | 88.9 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 28% | 0.28 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126 | 170.7 | -174.4 | 176.3 | -7.8 | 0 | 0 | 108.1 | G122 V123 I125 Y148 | Q120-G122 PolarHBondContact O-N 3.29Å; Q120-G122 VanDerWaalsContact O-N 3.12Å; Q120-V123 PolarHBondContact N-O 2.99Å; Q120-V123 PolarHBondContact O-N 3.12Å; Q120-I125 HydrophobicContact CB-CD1 4.15Å; Q120-I125 HydrophobicContact CB-CG2 3.96Å; Q120-Y148 HydrophobicContact CB-CD1 3.86Å; Q120-Y148 HydrophobicContact CB-CE1 3.8Å; Q120-Y148 HydrophobicContact CG-CD1 4.22Å; Q120-Y148 HydrophobicContact CG-CE1 3.9Å; Q120-Y148 VanDerWaalsContact OE1-CE1 3.23Å; Q120-Y148 PolarHBondContact OE1-OH 2.89Å |
| 121 | D | 85.3 | Confident | 89 | Confident | 133 Ų | 133 | 61.3 Ų | 61.3 | 71% | 0.711 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 37.8 | -178.2 | -57.9 | -42.8 | 0 | 0 | 0 | 113.6 | V123 | D121-V123 VanDerWaalsContact C-N 3.29Å; D121-V123 PolarHBondContact O-N 2.99Å |
| 122 | G | 85.4 | Confident | 88.8 | Confident | 70 Ų | 70 | 66.3 Ų | 66.3 | 72% | 0.722 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | -2.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q120 | Q120-G122 PolarHBondContact O-N 3.29Å; Q120-G122 VanDerWaalsContact O-N 3.12Å |
| 123 | V | 87.1 | Confident | 88.6 | Confident | 96 Ų | 96 | 64.9 Ų | 64.9 | 58% | 0.582 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.6 | 178 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | F119 Q120 D121 I125 | F119-V123 CarbonylContact C-O 3.43Å; F119-V123 VanDerWaalsContact CA-O 3.26Å; F119-V123 WeakPolarHBondContact CA-O 3.14Å; Q120-V123 PolarHBondContact N-O 2.99Å; Q120-V123 PolarHBondContact O-N 3.12Å; D121-V123 VanDerWaalsContact C-N 3.29Å; D121-V123 PolarHBondContact O-N 2.99Å; V123-I125 PolarHBondContact O-N 2.92Å |
| 124 | K | 90.5 | Very high | 88.1 | Confident | 114 Ų | 114 | 66.3 Ų | 66.3 | 50% | 0.496 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 118.9 | 173.8 | -173.5 | 171.7 | 61.7 | -177.5 | 0 | 109.9 | S117 F119 | S117-K124 WeakPolarHBondContact OG-CD 3.43Å; F119-K124 HydrophobicContact CD1-CB 3.92Å; F119-K124 VanDerWaalsContact CD1-N 3.33Å; F119-K124 HydrophobicContact CE1-CB 3.54Å; F119-K124 HydrophobicContact CE1-CG 4.3Å; F119-K124 HydrophobicContact CE2-CB 4.43Å; F119-K124 HydrophobicContact CE2-CG 4.33Å; F119-K124 HydrophobicContact CZ-CB 3.82Å; F119-K124 HydrophobicContact CZ-CD 4.17Å; F119-K124 HydrophobicContact CZ-CG 4.08Å |
| 125 | I | 87.6 | Confident | 87.6 | Confident | 74 Ų | 74 | 68 Ų | 68 | 38% | 0.379 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -28.4 | -177.9 | 56.1 | 161.5 | 0 | 0 | 0 | 113.3 | L118 Q120 V123 Y148 | L118-I125 HydrophobicContact CB-CD1 4.43Å; L118-I125 HydrophobicContact CB-CG1 4.04Å; L118-I125 HydrophobicContact CD2-CD1 3.5Å; L118-I125 HydrophobicContact CD2-CG1 4.02Å; L118-I125 HydrophobicContact CG-CD1 3.76Å; L118-I125 HydrophobicContact CG-CG1 3.87Å; L118-I125 WeakPolarHBondContact O-CG1 3.32Å; L118-I125 PolarHBondContact O-N 3.44Å; Q120-I125 HydrophobicContact CB-CD1 4.15Å; Q120-I125 HydrophobicContact CB-CG2 3.96Å; V123-I125 PolarHBondContact O-N 2.92Å; I125-Y148 HydrophobicContact CD1-CD1 3.71Å; I125-Y148 HydrophobicContact CD1-CE1 3.45Å; I125-Y148 VanDerWaalsContact CD1-CE1 3.45Å |
| 126 | N | 90.3 | Very high | 87.3 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 36% | 0.358 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 156.8 | 179.7 | -157.6 | -9.9 | 0 | 0 | 0 | 111 | S117 L118 F140 | S117-N126 WeakPolarHBondContact CA-O 3.43Å; L118-N126 HydrophobicContact CB-CB 4.32Å; L118-N126 PolarHBondContact N-O 3.13Å; L118-N126 PolarHBondContact O-N 3.12Å; N126-F140 HydrophobicContact CB-CD1 3.93Å; N126-F140 HydrophobicContact CB-CE1 4.09Å |
| 127 | R | 92.5 | Very high | 87.2 | Confident | 114 Ų | 114 | 67.2 Ų | 67.2 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 124.8 | 174.6 | -174.7 | -178.3 | -162.9 | -142.3 | -2.6 | 108.6 | H115 V116 S117 D153 | H115-R127 HydrophobicContact CB-CG 4.3Å; H115-R127 PolarHBondContact CD2-NH2 3.41Å; H115-R127 VanDerWaalsContact CG-CZ 3.46Å; V116-R127 CarbonylContact O-C 3.56Å; V116-R127 WeakPolarHBondContact O-CA 3.1Å; S117-R127 WeakPolarHBondContact OG-CG 3.45Å; R127-D153 WeakPolarHBondContact CD-OD2 3.18Å; R127-D153 IonicContact CZ-OD2 3.24Å; R127-D153 IonicContact NE-OD2 3.08Å; R127-D153 PolarHBondContact NE-OD2 2.76Å; R127-D153 IonicContact NH2-OD2 3.07Å |
| 128 | V | 93 | Very high | 87.1 | Confident | 28 Ų | 28 | 67.6 Ų | 67.6 | 17% | 0.17 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 154.1 | 179.4 | -62.4 | 0 | 0 | 0 | 0 | 110.1 | H115 V116 Y138 F140 | H115-V128 CarbonylContact C-O 3.52Å; H115-V128 WeakPolarHBondContact CA-O 3.43Å; V116-V128 HydrophobicContact CB-CG2 4.29Å; V116-V128 PolarHBondContact N-O 2.85Å; V116-V128 PolarHBondContact O-N 2.86Å; V128-Y138 HydrophobicContact CG2-CD2 4.45Å; V128-F140 HydrophobicContact CB-CE1 4.23Å; V128-F140 HydrophobicContact CG1-CD1 3.82Å; V128-F140 HydrophobicContact CG1-CE1 3.8Å; V128-F140 HydrophobicContact CG2-CD1 4.14Å; V128-F140 HydrophobicContact CG2-CE1 3.58Å; V128-F140 HydrophobicContact CG2-CE2 4.42Å; V128-F140 HydrophobicContact CG2-CZ 3.74Å |
| 129 | L | 91.5 | Very high | 87.1 | Confident | 82 Ų | 82 | 70.3 Ų | 70.3 | 43% | 0.429 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 130 | 169.6 | -173.7 | 62.7 | 0 | 0 | 0 | 107.6 | D113 | D113-L129 HydrophobicContact CB-CD1 4.5Å |
| 130 | A | 89.1 | Confident | 87.1 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 5% | 0.05 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 138 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L105 V114 P136 A137 | L105-A130 HydrophobicContact CD1-CB 3.57Å; L105-A130 HydrophobicContact CG-CB 4.36Å; V114-A130 PolarHBondContact O-N 3.08Å; A130-P136 HydrophobicContact CB-CB 3.87Å; A130-A137 CarbonylContact C-O 3.49Å; A130-A137 WeakPolarHBondContact CA-O 3.24Å |
| 131 | E | 84.6 | Confident | 87.1 | Confident | 137 Ų | 137 | 70.7 Ų | 70.7 | 64% | 0.64 | 40% | 0.399 | S | S | * | . | B | Isolated β-bridge | trans | -63.5 | 127.5 | -179.6 | -68.2 | -177.3 | 176.9 | 0 | 0 | 110.2 | S133 P136 A137 | E131-S133 PolarHBondContact O-N 2.91Å; E131-P136 VanDerWaalsContact O-CA 3.22Å; E131-P136 WeakPolarHBondContact O-CA 3.24Å; E131-P136 WeakPolarHBondContact O-CB 3.45Å; E131-A137 PolarHBondContact N-O 3.18Å |
| 132 | P | 75.5 | Confident | 87.1 | Confident | 117 Ų | 117 | 67 Ų | 67 | 76% | 0.76 | 38% | 0.38 | S | S | * | . | trans | -68.8 | 101 | -178.2 | 26.3 | -32.4 | 0 | 0 | 0 | 110.1 | ||||
| 133 | S | 77.1 | Confident | 87.3 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -144.8 | 176.7 | 175.7 | 91.6 | 0 | 0 | 0 | 0 | 110.7 | Q110 E131 A135 P136 | Q110-S133 PolarHBondContact NE2-O 2.61Å; E131-S133 PolarHBondContact O-N 2.91Å; S133-A135 PolarHBondContact O-N 2.86Å; S133-A135 PolarHBondContact OG-N 2.78Å; S133-A135 VanDerWaalsContact OG-N 3.1Å; S133-A135 PolarHBondContact OG-O 2.88Å; S133-P136 WeakPolarHBondContact O-CD 3.45Å; S133-P136 WeakPolarHBondContact O-CG 3.09Å |
| 134 | V | 72.9 | Confident | 87.2 | Confident | 140 Ų | 140 | 60.9 Ų | 60.9 | 85% | 0.848 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -59.6 | -27 | 174.4 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 135 | A | 77.8 | Confident | 87 | Confident | 38 Ų | 38 | 56.5 Ų | 56.5 | 31% | 0.314 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -132.6 | 85.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | S133 A137 | S133-A135 PolarHBondContact O-N 2.86Å; S133-A135 PolarHBondContact OG-N 2.78Å; S133-A135 VanDerWaalsContact OG-N 3.1Å; S133-A135 PolarHBondContact OG-O 2.88Å; A135-A137 PolarHBondContact O-N 3.19Å |
| 136 | P | 87.5 | Confident | 87 | Confident | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | trans | -55.4 | 127.2 | -173.1 | -27.2 | 36.4 | 0 | 0 | 0 | 111.4 | R104 L105 A130 E131 S133 | R104-P136 CarbonylContact C-O 3.6Å; R104-P136 WeakPolarHBondContact CA-O 3.33Å; L105-P136 HydrophobicContact CB-CB 4.28Å; L105-P136 HydrophobicContact CD1-CB 4.17Å; L105-P136 HydrophobicContact CG-CB 4.46Å; L105-P136 PolarHBondContact N-O 3.04Å; A130-P136 HydrophobicContact CB-CB 3.87Å; E131-P136 VanDerWaalsContact O-CA 3.22Å; E131-P136 WeakPolarHBondContact O-CA 3.24Å; E131-P136 WeakPolarHBondContact O-CB 3.45Å; S133-P136 WeakPolarHBondContact O-CD 3.45Å; S133-P136 WeakPolarHBondContact O-CG 3.09Å | ||
| 137 | A | 90.9 | Very high | 87 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 26% | 0.256 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 147.5 | -178 | 0 | 0 | 0 | 0 | 0 | 109.6 | G103 R104 A130 E131 A135 | G103-A137 WeakPolarHBondContact O-CA 3.16Å; R104-A137 HydrophobicContact CG-CB 4.46Å; A130-A137 CarbonylContact C-O 3.49Å; A130-A137 WeakPolarHBondContact CA-O 3.24Å; E131-A137 PolarHBondContact N-O 3.18Å; A135-A137 PolarHBondContact O-N 3.19Å |
| 138 | Y | 93.6 | Very high | 87.1 | Confident | 8 Ų | 8 | 52 Ų | 52 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 151.7 | 173.3 | 68.9 | -93.1 | 0 | 0 | 0 | 110 | S102 G103 L105 V116 V128 F140 V150 V176 F178 | S102-Y138 WeakPolarHBondContact CA-O 3.28Å; G103-Y138 PolarHBondContact N-O 2.89Å; G103-Y138 VanDerWaalsContact N-O 3.09Å; G103-Y138 WeakPolarHBondContact O-CD1 3.32Å; G103-Y138 PolarHBondContact O-N 3.27Å; L105-Y138 HydrophobicContact CD2-CD1 4.25Å; L105-Y138 HydrophobicContact CD2-CE1 4.11Å; L105-Y138 HydrophobicContact CG-CD1 4.48Å; V116-Y138 HydrophobicContact CB-CD1 4.41Å; V116-Y138 HydrophobicContact CB-CD2 4.23Å; V116-Y138 HydrophobicContact CB-CE2 4.49Å; V116-Y138 HydrophobicContact CB-CG 4.17Å; V116-Y138 HydrophobicContact CG1-CD1 4.45Å; V116-Y138 HydrophobicContact CG1-CD2 4.03Å; V116-Y138 HydrophobicContact CG1-CE1 4.22Å; V116-Y138 HydrophobicContact CG1-CE2 3.81Å; V116-Y138 HydrophobicContact CG1-CG 4.33Å; V116-Y138 HydrophobicContact CG2-CD1 3.74Å; V116-Y138 HydrophobicContact CG2-CD2 4.44Å; V116-Y138 HydrophobicContact CG2-CE1 4.05Å; V116-Y138 HydrophobicContact CG2-CG 3.92Å; V128-Y138 HydrophobicContact CG2-CD2 4.45Å; Y138-F140 HydrophobicContact CD2-CD2 4.17Å; Y138-F140 AromaticContact CD2-CE2 3.76Å; Y138-F140 HydrophobicContact CD2-CE2 3.76Å; Y138-F140 HydrophobicContact CD2-CZ 4.46Å; Y138-F140 HydrophobicContact CE2-CD2 4.19Å; Y138-F140 AromaticContact CE2-CE2 3.71Å; Y138-F140 HydrophobicContact CE2-CE2 3.71Å; Y138-V150 HydrophobicContact CE2-CG1 4.15Å; Y138-V176 PolarHBondContact OH-O 2.61Å; Y138-F178 HydrophobicContact CE1-CD2 4.22Å; Y138-F178 WeakPolarHBondContact OH-CE2 3.47Å |
| 139 | E | 93.6 | Very high | 87.2 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 130.7 | 179.7 | -173.1 | -175.8 | 141.2 | 0 | 0 | 109.9 | R100 I101 Q141 | R100-E139 HydrophobicContact CB-CG 4.42Å; R100-E139 WeakPolarHBondContact CG-OE1 3.15Å; R100-E139 IonicContact CZ-OE1 2.82Å; R100-E139 IonicContact CZ-OE2 3.07Å; R100-E139 IonicContact NE-OE1 3.63Å; R100-E139 PolarHBondContact NE-OE1 3.42Å; R100-E139 VanDerWaalsContact NH1-CD 3.28Å; R100-E139 IonicContact NH1-OE1 3.46Å; R100-E139 PolarHBondContact NH1-OE1 2.67Å; R100-E139 IonicContact NH1-OE2 3.47Å; R100-E139 PolarHBondContact NH1-OE2 3.03Å; R100-E139 IonicContact NH2-OE1 3.37Å; R100-E139 PolarHBondContact NH2-OE1 2.9Å; R100-E139 IonicContact NH2-OE2 2.99Å; R100-E139 PolarHBondContact NH2-OE2 3.28Å; I101-E139 CarbonylContact O-C 3.49Å; I101-E139 WeakPolarHBondContact O-CA 3.26Å; E139-Q141 HydrophobicContact CG-CG 4.2Å; E139-Q141 WeakPolarHBondContact OE1-CG 3.26Å; E139-Q141 PolarHBondContact OE1-NE2 2.98Å |
| 140 | F | 93.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124 | 164.8 | -56.8 | -78.6 | 0 | 0 | 0 | 109 | R100 I101 V116 L118 N126 V128 Y138 I143 V150 | R100-F140 WeakPolarHBondContact CA-O 3.33Å; I101-F140 HydrophobicContact CB-CB 4.41Å; I101-F140 HydrophobicContact CB-CD2 4.29Å; I101-F140 HydrophobicContact CG2-CD2 4.35Å; I101-F140 PolarHBondContact N-O 2.87Å; I101-F140 PolarHBondContact O-N 2.79Å; V116-F140 HydrophobicContact CB-CZ 4.25Å; V116-F140 HydrophobicContact CG1-CE2 4.09Å; V116-F140 HydrophobicContact CG1-CZ 3.97Å; V116-F140 WeakPolarHBondContact O-CZ 3.04Å; L118-F140 HydrophobicContact CB-CD1 4.01Å; L118-F140 HydrophobicContact CB-CD2 4.28Å; L118-F140 HydrophobicContact CB-CE1 3.75Å; L118-F140 HydrophobicContact CB-CE2 4.05Å; L118-F140 HydrophobicContact CB-CG 4.25Å; L118-F140 HydrophobicContact CB-CZ 3.77Å; L118-F140 HydrophobicContact CD1-CD2 4.38Å; L118-F140 HydrophobicContact CD1-CE2 4.45Å; L118-F140 HydrophobicContact CD2-CB 4.14Å; L118-F140 HydrophobicContact CD2-CD1 4.32Å; L118-F140 HydrophobicContact CD2-CD2 4.36Å; L118-F140 HydrophobicContact CD2-CG 4.03Å; N126-F140 HydrophobicContact CB-CD1 3.93Å; N126-F140 HydrophobicContact CB-CE1 4.09Å; V128-F140 HydrophobicContact CB-CE1 4.23Å; V128-F140 HydrophobicContact CG1-CD1 3.82Å; V128-F140 HydrophobicContact CG1-CE1 3.8Å; V128-F140 HydrophobicContact CG2-CD1 4.14Å; V128-F140 HydrophobicContact CG2-CE1 3.58Å; V128-F140 HydrophobicContact CG2-CE2 4.42Å; V128-F140 HydrophobicContact CG2-CZ 3.74Å; Y138-F140 HydrophobicContact CD2-CD2 4.17Å; Y138-F140 AromaticContact CD2-CE2 3.76Å; Y138-F140 HydrophobicContact CD2-CE2 3.76Å; Y138-F140 HydrophobicContact CD2-CZ 4.46Å; Y138-F140 HydrophobicContact CE2-CD2 4.19Å; Y138-F140 AromaticContact CE2-CE2 3.71Å; Y138-F140 HydrophobicContact CE2-CE2 3.71Å; F140-I143 HydrophobicContact CB-CD1 3.95Å; F140-I143 HydrophobicContact CB-CG1 4.06Å; F140-V150 HydrophobicContact CE2-CG1 4.07Å |
| 141 | Q | 89.7 | Confident | 87.7 | Confident | 112 Ų | 112 | 50.7 Ų | 50.7 | 52% | 0.523 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 164.1 | 178.9 | -67.4 | -179.9 | -2.1 | 0 | 0 | 111.5 | R100 E139 I143 | R100-Q141 HydrophobicContact CG-CG 4.41Å; E139-Q141 HydrophobicContact CG-CG 4.2Å; E139-Q141 WeakPolarHBondContact OE1-CG 3.26Å; E139-Q141 PolarHBondContact OE1-NE2 2.98Å; Q141-I143 VanDerWaalsContact C-N 3.32Å; Q141-I143 PolarHBondContact O-N 2.74Å |
| 142 | N | 85.3 | Confident | 88 | Confident | 56 Ų | 56 | 44.8 Ų | 44.8 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 60.1 | 39.4 | 175 | -47.4 | -42.9 | 0 | 0 | 0 | 113 | H15 E98 | H15-N142 PolarHBondContact CE1-ND2 3.33Å; H15-N142 VanDerWaalsContact CE1-ND2 3.28Å; H15-N142 PolarHBondContact CE1-OD1 3.19Å; H15-N142 PolarHBondContact ND1-OD1 3.21Å; H15-N142 PolarHBondContact NE2-ND2 3.18Å; E98-N142 PolarHBondContact OE2-OD1 2.87Å |
| 143 | I | 88.6 | Confident | 88.3 | Confident | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 128 | -178.8 | -56.4 | -54.1 | 0 | 0 | 0 | 110.2 | A99 I101 L118 F140 Q141 Y148 V168 | A99-I143 PolarHBondContact N-O 2.96Å; A99-I143 WeakPolarHBondContact O-CB 3.21Å; A99-I143 PolarHBondContact O-N 2.71Å; I101-I143 HydrophobicContact CD1-CG1 4.33Å; I101-I143 HydrophobicContact CD1-CG2 3.95Å; I101-I143 HydrophobicContact CG1-CG1 4.23Å; I101-I143 HydrophobicContact CG1-CG2 4.28Å; L118-I143 HydrophobicContact CD2-CD1 3.48Å; L118-I143 VanDerWaalsContact CD2-CD1 3.48Å; L118-I143 HydrophobicContact CD2-CG1 4.37Å; F140-I143 HydrophobicContact CB-CD1 3.95Å; F140-I143 HydrophobicContact CB-CG1 4.06Å; Q141-I143 VanDerWaalsContact C-N 3.32Å; Q141-I143 PolarHBondContact O-N 2.74Å; I143-Y148 HydrophobicContact CG2-CD2 4.16Å; I143-Y148 HydrophobicContact CG2-CE1 4.36Å; I143-Y148 HydrophobicContact CG2-CE2 3.6Å; I143-V168 HydrophobicContact CG2-CG1 4.49Å; I143-V168 HydrophobicContact CG2-CG2 3.95Å |
| 144 | F | 85.4 | Confident | 88.6 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 11% | 0.114 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -80.3 | 150.7 | 174.7 | -64.7 | -81 | 0 | 0 | 0 | 110.5 | H15 P17 F73 G146 Y148 | H15-F144 HydrophobicContact CB-CZ 4.35Å; P17-F144 HydrophobicContact CB-CD2 4.48Å; P17-F144 HydrophobicContact CB-CE2 4.27Å; P17-F144 HydrophobicContact CB-CZ 4.43Å; P17-F144 VanDerWaalsContact CD-CZ 3.45Å; P17-F144 HydrophobicContact CG-CD1 3.99Å; P17-F144 HydrophobicContact CG-CD2 4.22Å; P17-F144 HydrophobicContact CG-CE1 3.69Å; P17-F144 HydrophobicContact CG-CE2 3.97Å; P17-F144 HydrophobicContact CG-CG 4.24Å; P17-F144 HydrophobicContact CG-CZ 3.71Å; F73-F144 HydrophobicContact CD2-CE1 4.18Å; F144-G146 PolarHBondContact O-N 3.45Å; F144-Y148 WeakPolarHBondContact O-CE2 3.06Å; F144-Y148 PolarHBondContact O-OH 3.14Å |
| 145 | P | 86.6 | Confident | 89 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 15% | 0.149 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -49.4 | 126.4 | 166.8 | -30.5 | 31.8 | 0 | 0 | 0 | 112.8 | G72 V74 L97 V168 K169 | G72-P145 WeakPolarHBondContact CA-O 3.31Å; G72-P145 WeakPolarHBondContact O-CD 3.47Å; V74-P145 HydrophobicContact CG2-CG 4.11Å; L97-P145 HydrophobicContact CD2-CG 3.82Å; P145-V168 CarbonylContact C-O 3.55Å; P145-V168 VanDerWaalsContact CA-O 3.23Å; P145-V168 WeakPolarHBondContact CA-O 3.4Å; P145-K169 WeakPolarHBondContact CB-O 3.29Å; P145-K169 VanDerWaalsContact CG-O 3.29Å; P145-K169 WeakPolarHBondContact CG-O 3.18Å |
| 146 | G | 88.2 | Confident | 89.5 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.6 | 178.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F144 T167 V168 | F144-G146 PolarHBondContact O-N 3.45Å; G146-T167 WeakPolarHBondContact O-CA 3.44Å; G146-V168 PolarHBondContact N-O 3.48Å; G146-V168 PolarHBondContact O-N 2.8Å |
| 147 | M | 90.8 | Very high | 89.7 | Confident | 132 Ų | 132 | 47.9 Ų | 47.9 | 65% | 0.65 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 132.1 | 172 | -62.5 | -173.6 | -58.3 | 0 | 0 | 109.3 | ||
| 148 | Y | 93.6 | Very high | 89.8 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 153.6 | -176.9 | -63.3 | -84.9 | 0 | 0 | 0 | 110.3 | I101 L118 F119 Q120 I125 I143 F144 D165 V166 V168 | I101-Y148 HydrophobicContact CD1-CD2 4.28Å; I101-Y148 HydrophobicContact CD1-CG 4.32Å; L118-Y148 HydrophobicContact CD1-CD1 4.18Å; L118-Y148 HydrophobicContact CD1-CG 4.21Å; L118-Y148 HydrophobicContact CD2-CD1 4.1Å; L118-Y148 HydrophobicContact CG-CD1 4.05Å; F119-Y148 CarbonylContact O-C 3.55Å; F119-Y148 VanDerWaalsContact O-CA 3.24Å; F119-Y148 WeakPolarHBondContact O-CA 3.36Å; Q120-Y148 HydrophobicContact CB-CD1 3.86Å; Q120-Y148 HydrophobicContact CB-CE1 3.8Å; Q120-Y148 HydrophobicContact CG-CD1 4.22Å; Q120-Y148 HydrophobicContact CG-CE1 3.9Å; Q120-Y148 VanDerWaalsContact OE1-CE1 3.23Å; Q120-Y148 PolarHBondContact OE1-OH 2.89Å; I125-Y148 HydrophobicContact CD1-CD1 3.71Å; I125-Y148 HydrophobicContact CD1-CE1 3.45Å; I125-Y148 VanDerWaalsContact CD1-CE1 3.45Å; I143-Y148 HydrophobicContact CG2-CD2 4.16Å; I143-Y148 HydrophobicContact CG2-CE1 4.36Å; I143-Y148 HydrophobicContact CG2-CE2 3.6Å; F144-Y148 WeakPolarHBondContact O-CE2 3.06Å; F144-Y148 PolarHBondContact O-OH 3.14Å; Y148-D165 CarbonylContact O-C 3.6Å; Y148-D165 WeakPolarHBondContact O-CA 3.14Å; Y148-V166 PolarHBondContact N-O 2.89Å; Y148-V166 PolarHBondContact O-N 2.92Å; Y148-V168 HydrophobicContact CD2-CG2 3.98Å; Y148-V168 HydrophobicContact CE2-CB 4.36Å; Y148-V168 HydrophobicContact CE2-CG2 4.16Å |
| 149 | T | 95.2 | Very high | 89.8 | Confident | 38 Ų | 38 | 47.5 Ų | 47.5 | 23% | 0.233 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.7 | 171 | -55.4 | 0 | 0 | 0 | 0 | 108.4 | F119 I151 D165 | F119-T149 PolarHBondContact N-O 2.68Å; F119-T149 PolarHBondContact O-N 2.89Å; T149-I151 HydrophobicContact CG2-CD1 4.3Å; T149-I151 HydrophobicContact CG2-CG1 4.02Å; T149-D165 WeakPolarHBondContact CB-OD1 3.34Å; T149-D165 WeakPolarHBondContact CG2-OD1 3.38Å; T149-D165 PolarHBondContact OG1-OD1 2.91Å |
| 150 | V | 95.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 134 | 175.4 | -168.2 | 0 | 0 | 0 | 0 | 108.6 | I101 V116 S117 L118 Y138 F140 S163 I164 V166 V176 F178 | I101-V150 HydrophobicContact CG2-CG2 4.35Å; V116-V150 HydrophobicContact CG1-CG1 3.36Å; S117-V150 WeakPolarHBondContact O-CA 3.39Å; L118-V150 HydrophobicContact CD1-CG2 3.73Å; Y138-V150 HydrophobicContact CE2-CG1 4.15Å; F140-V150 HydrophobicContact CE2-CG1 4.07Å; V150-S163 CarbonylContact O-C 3.49Å; V150-S163 VanDerWaalsContact O-CA 3.3Å; V150-S163 WeakPolarHBondContact O-CA 3.41Å; V150-I164 PolarHBondContact N-O 3.02Å; V150-I164 PolarHBondContact O-N 2.87Å; V150-V166 HydrophobicContact CG2-CG2 4.04Å; V150-V176 HydrophobicContact CB-CG1 4.18Å; V150-V176 HydrophobicContact CG2-CG1 3.98Å; V150-F178 HydrophobicContact CB-CE2 4.29Å; V150-F178 HydrophobicContact CB-CZ 4.34Å; V150-F178 HydrophobicContact CG1-CE2 3.78Å; V150-F178 HydrophobicContact CG1-CZ 4.17Å; V150-F178 WeakPolarHBondContact O-CZ 3.46Å |
| 151 | I | 94.4 | Very high | 89.7 | Confident | 51 Ų | 51 | 58 Ų | 58 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 140.4 | -177.7 | -57.1 | -178 | 0 | 0 | 0 | 108.8 | S117 F119 T149 | S117-I151 PolarHBondContact N-O 3.09Å; S117-I151 PolarHBondContact O-N 3.22Å; F119-I151 HydrophobicContact CD2-CB 4.47Å; F119-I151 HydrophobicContact CD2-CD1 3.85Å; F119-I151 HydrophobicContact CD2-CG1 4.14Å; F119-I151 HydrophobicContact CE2-CB 4.21Å; F119-I151 HydrophobicContact CE2-CD1 3.81Å; F119-I151 HydrophobicContact CE2-CG1 4.23Å; F119-I151 HydrophobicContact CZ-CD1 4.45Å; T149-I151 HydrophobicContact CG2-CD1 4.3Å; T149-I151 HydrophobicContact CG2-CG1 4.02Å |
| 152 | T | 91.1 | Very high | 89.6 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 9% | 0.086 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 125.9 | 170.4 | 47.6 | 0 | 0 | 0 | 0 | 109.9 | L105 V116 E154 W159 F178 | L105-T152 HydrophobicContact CD2-CG2 4.35Å; V116-T152 HydrophobicContact CG2-CG2 4.47Å; T152-E154 VanDerWaalsContact C-N 3.34Å; T152-E154 PolarHBondContact O-N 2.98Å; T152-W159 HydrophobicContact CG2-CD2 4.23Å; T152-W159 HydrophobicContact CG2-CZ2 4.13Å; T152-W159 PolarHBondContact OG1-NE1 2.76Å; T152-F178 HydrophobicContact CG2-CB 4.1Å; T152-F178 HydrophobicContact CG2-CD1 3.61Å; T152-F178 HydrophobicContact CG2-CD2 3.74Å; T152-F178 HydrophobicContact CG2-CE1 3.87Å; T152-F178 HydrophobicContact CG2-CE2 3.98Å; T152-F178 HydrophobicContact CG2-CG 3.54Å; T152-F178 HydrophobicContact CG2-CZ 4.05Å |
| 153 | D | 82.3 | Confident | 90 | Very high | 42 Ų | 42 | 57.3 Ų | 57.3 | 23% | 0.225 | 29% | 0.293 | C | S | . | . | trans | -93.8 | 45.3 | -175.1 | -66.9 | -25.1 | 0 | 0 | 0 | 112.3 | H115 S117 R127 | H115-D153 HydrophobicContact CB-CB 3.97Å; H115-D153 PolarHBondContact O-N 3.33Å; S117-D153 WeakPolarHBondContact CB-OD1 3.26Å; S117-D153 WeakPolarHBondContact CB-OD2 3.42Å; S117-D153 VanDerWaalsContact OG-CG 3.3Å; S117-D153 PolarHBondContact OG-OD1 2.84Å; S117-D153 PolarHBondContact OG-OD2 2.87Å; R127-D153 WeakPolarHBondContact CD-OD2 3.18Å; R127-D153 IonicContact CZ-OD2 3.24Å; R127-D153 IonicContact NE-OD2 3.08Å; R127-D153 PolarHBondContact NE-OD2 2.76Å; R127-D153 IonicContact NH2-OD2 3.07Å | ||
| 154 | E | 82.6 | Confident | 90.3 | Very high | 47 Ų | 47 | 58.3 Ų | 58.3 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | trans | -128.8 | 107 | -177.9 | -68.5 | -54.8 | 145.1 | 0 | 0 | 112.8 | D113 V114 H115 T152 R156 L157 | D113-E154 VanDerWaalsContact O-OE1 3.13Å; V114-E154 HydrophobicContact CB-CG 4.13Å; V114-E154 HydrophobicContact CG1-CG 3.78Å; V114-E154 HydrophobicContact CG2-CG 4.25Å; H115-E154 IonicContact CD2-OE1 3.41Å; H115-E154 PolarHBondContact N-OE1 2.82Å; T152-E154 VanDerWaalsContact C-N 3.34Å; T152-E154 PolarHBondContact O-N 2.98Å; E154-R156 PolarHBondContact O-N 2.87Å; E154-L157 HydrophobicContact CB-CD1 4.4Å; E154-L157 PolarHBondContact O-N 2.81Å | ||
| 155 | D | 82.7 | Confident | 90.8 | Very high | 150 Ų | 150 | 62.9 Ų | 62.9 | 80% | 0.802 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -18.7 | -177.3 | -67.6 | -26.2 | 0 | 0 | 0 | 113.4 | T184 | D155-T184 WeakPolarHBondContact O-CB 3.38Å; D155-T184 VanDerWaalsContact O-CG2 3.29Å; D155-T184 WeakPolarHBondContact O-CG2 3.31Å; D155-T184 PolarHBondContact O-OG1 3.17Å |
| 156 | R | 88.2 | Confident | 91.1 | Very high | 152 Ų | 152 | 62.3 Ų | 62.3 | 57% | 0.574 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -12.5 | -175.9 | -58.2 | -172.2 | -165.2 | -157.9 | 3.7 | 113.9 | E154 T184 D246 | E154-R156 PolarHBondContact O-N 2.87Å; R156-T184 PolarHBondContact O-N 3.17Å; R156-T184 PolarHBondContact O-OG1 3.31Å; R156-D246 PolarHBondContact NH1-O 2.85Å; R156-D246 VanDerWaalsContact NH1-O 3.08Å |
| 157 | L | 91.1 | Very high | 91.3 | Very high | 28 Ų | 28 | 65.3 Ų | 65.3 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 136.4 | -175.1 | -56.8 | 177.9 | 0 | 0 | 0 | 109.6 | V114 E154 W159 F183 T184 | V114-L157 HydrophobicContact CG2-CD1 3.79Å; E154-L157 HydrophobicContact CB-CD1 4.4Å; E154-L157 PolarHBondContact O-N 2.81Å; L157-W159 HydrophobicContact CB-CZ2 4.06Å; L157-W159 HydrophobicContact CD1-CH2 4.32Å; L157-W159 HydrophobicContact CD1-CZ2 3.74Å; L157-F183 HydrophobicContact CD2-CD1 4.01Å; L157-F183 HydrophobicContact CD2-CE1 3.97Å; L157-T184 PolarHBondContact N-OG1 3.43Å |
| 158 | C | 93.1 | Very high | 91.2 | Very high | 11 Ų | 11 | 59.2 Ų | 59.2 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 139.2 | 168.7 | -73.5 | 0 | 0 | 0 | 0 | 110.4 | Q180 S181 G182 C219 | C158-Q180 CarbonylContact O-C 3.57Å; C158-Q180 WeakPolarHBondContact O-CA 3.32Å; C158-Q180 WeakPolarHBondContact O-CG 3.48Å; C158-S181 VanDerWaalsContact C-OG 3.24Å; C158-S181 VanDerWaalsContact CB-OG 3.26Å; C158-S181 WeakPolarHBondContact CB-OG 3.27Å; C158-S181 PolarHBondContact O-N 3.18Å; C158-S181 PolarHBondContact O-OG 2.83Å; C158-G182 PolarHBondContact N-O 3.01Å; C158-G182 PolarHBondContact O-N 2.82Å; C158-C219 HydrophobicContact CB-CB 3.59Å; C158-C219 WeakPolarHBondContact CB-SG 3.4Å; C158-C219 WeakPolarHBondContact SG-CA 3.37Å; C158-C219 WeakPolarHBondContact SG-CB 3.3Å; C158-C219 CovalentContact SG-SG 2.03Å; C158-C219 PolarHBondContact SG-SG 2.77Å |
| 159 | W | 93.2 | Very high | 90.8 | Very high | 21 Ų | 21 | 66.2 Ų | 66.2 | 8% | 0.08 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 144.8 | 177.5 | -56.6 | 98 | 0 | 0 | 0 | 109.9 | L105 V114 T152 L157 K161 F178 S179 Q180 S181 | L105-W159 HydrophobicContact CB-CH2 4.36Å; L105-W159 HydrophobicContact CD1-CH2 4.48Å; L105-W159 HydrophobicContact CD2-CH2 4.07Å; L105-W159 HydrophobicContact CD2-CZ3 4.34Å; V114-W159 HydrophobicContact CG1-CH2 4.44Å; V114-W159 HydrophobicContact CG1-CZ2 3.98Å; T152-W159 HydrophobicContact CG2-CD2 4.23Å; T152-W159 HydrophobicContact CG2-CZ2 4.13Å; T152-W159 PolarHBondContact OG1-NE1 2.76Å; L157-W159 HydrophobicContact CB-CZ2 4.06Å; L157-W159 HydrophobicContact CD1-CH2 4.32Å; L157-W159 HydrophobicContact CD1-CZ2 3.74Å; W159-K161 VanDerWaalsContact CB-O 3.31Å; W159-K161 WeakPolarHBondContact CB-O 3.4Å; W159-K161 PolarHBondContact O-N 2.85Å; W159-F178 HydrophobicContact CD2-CB 4.31Å; W159-F178 HydrophobicContact CE3-CB 3.62Å; W159-F178 HydrophobicContact CZ3-CB 3.79Å; W159-S179 WeakPolarHBondContact CA-O 3.27Å; W159-Q180 HydrophobicContact CE3-CB 4.17Å; W159-Q180 HydrophobicContact CZ3-CB 3.93Å; W159-S181 VanDerWaalsContact C-OG 3.31Å; W159-S181 PolarHBondContact N-OG 3.43Å; W159-S181 PolarHBondContact O-OG 2.79Å |
| 160 | E | 92.9 | Very high | 90.1 | Very high | 148 Ų | 148 | 68.3 Ų | 68.3 | 69% | 0.692 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -61.9 | -34.8 | 174.5 | -173 | 179.8 | -178.9 | 0 | 0 | 111.5 | S179 | E160-S179 PolarHBondContact N-O 3.13Š|
| 161 | K | 92 | Very high | 89.6 | Confident | 129 Ų | 129 | 75.2 Ų | 75.2 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | trans | -125.2 | 123.8 | 169.9 | -63.6 | 178.9 | -176.5 | 173.9 | 0 | 108.3 | W159 S163 I164 F178 | W159-K161 VanDerWaalsContact CB-O 3.31Å; W159-K161 WeakPolarHBondContact CB-O 3.4Å; W159-K161 PolarHBondContact O-N 2.85Å; K161-S163 VanDerWaalsContact C-N 3.34Å; K161-I164 HydrophobicContact CB-CG1 4.28Å; K161-I164 HydrophobicContact CD-CG1 4.28Å; K161-F178 VanDerWaalsContact O-CD1 3.26Å; K161-F178 WeakPolarHBondContact O-CD1 3.47Å; K161-F178 VanDerWaalsContact O-CE1 3.31Å; K161-F178 WeakPolarHBondContact O-CE1 3.44Å | ||
| 162 | T | 88.7 | Confident | 89.4 | Confident | 101 Ų | 101 | 75.8 Ų | 75.8 | 62% | 0.62 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -76.9 | -25.1 | 175.8 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 163 | S | 93 | Very high | 89.4 | Confident | 53 Ų | 53 | 76.7 Ų | 76.7 | 37% | 0.371 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 144.1 | 177.8 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | V150 K161 | V150-S163 CarbonylContact O-C 3.49Å; V150-S163 VanDerWaalsContact O-CA 3.3Å; V150-S163 WeakPolarHBondContact O-CA 3.41Å; K161-S163 VanDerWaalsContact C-N 3.34Å |
| 164 | I | 95.5 | Very high | 89.9 | Confident | 31 Ų | 31 | 79 Ų | 79 | 16% | 0.159 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 119.1 | 175.5 | -57.2 | 174.6 | 0 | 0 | 0 | 109 | V150 K161 V166 V176 D177 F178 | V150-I164 PolarHBondContact N-O 3.02Å; V150-I164 PolarHBondContact O-N 2.87Å; K161-I164 HydrophobicContact CB-CG1 4.28Å; K161-I164 HydrophobicContact CD-CG1 4.28Å; I164-V166 HydrophobicContact CG2-CG2 4.25Å; I164-V176 HydrophobicContact CB-CG1 4.06Å; I164-V176 HydrophobicContact CD1-CG1 4.05Å; I164-V176 HydrophobicContact CG2-CG1 3.91Å; I164-D177 WeakPolarHBondContact CD1-O 3.27Å; I164-F178 HydrophobicContact CB-CZ 4.43Å; I164-F178 HydrophobicContact CD1-CD1 4.23Å; I164-F178 HydrophobicContact CD1-CD2 4.19Å; I164-F178 HydrophobicContact CD1-CE1 4.01Å; I164-F178 HydrophobicContact CD1-CE2 3.97Å; I164-F178 HydrophobicContact CD1-CG 4.32Å; I164-F178 HydrophobicContact CD1-CZ 3.87Å; I164-F178 HydrophobicContact CG1-CE1 4Å; I164-F178 HydrophobicContact CG1-CE2 4.47Å; I164-F178 HydrophobicContact CG1-CZ 3.91Å |
| 165 | D | 94.9 | Very high | 90.2 | Very high | 123 Ų | 123 | 81.1 Ų | 81.1 | 66% | 0.658 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 131.6 | 174.3 | -64.3 | -35.6 | 0 | 0 | 0 | 110.7 | Y148 T149 | Y148-D165 CarbonylContact O-C 3.6Å; Y148-D165 WeakPolarHBondContact O-CA 3.14Å; T149-D165 WeakPolarHBondContact CB-OD1 3.34Å; T149-D165 WeakPolarHBondContact CG2-OD1 3.38Å; T149-D165 PolarHBondContact OG1-OD1 2.91Å |
| 166 | V | 94 | Very high | 90.8 | Very high | 10 Ų | 10 | 74.4 Ų | 74.4 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 135 | -173.1 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | I101 Y148 V150 I164 V168 V173 V176 | I101-V166 HydrophobicContact CD1-CG1 4.14Å; I101-V166 HydrophobicContact CG1-CG1 4.46Å; Y148-V166 PolarHBondContact N-O 2.89Å; Y148-V166 PolarHBondContact O-N 2.92Å; V150-V166 HydrophobicContact CG2-CG2 4.04Å; I164-V166 HydrophobicContact CG2-CG2 4.25Å; V166-V168 HydrophobicContact CG1-CG2 4.26Å; V166-V173 HydrophobicContact CG1-CB 4Å; V166-V173 HydrophobicContact CG1-CG1 3.71Å; V166-V173 HydrophobicContact CG1-CG2 3.96Å; V166-V176 HydrophobicContact CG2-CG1 3.95Å; V166-V176 HydrophobicContact CG2-CG2 3.82Å |
| 167 | T | 92.4 | Very high | 91 | Very high | 84 Ų | 84 | 69.9 Ų | 69.9 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 114.9 | 173 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | G146 K169 | G146-T167 WeakPolarHBondContact O-CA 3.44Å; T167-K169 HydrophobicContact CG2-CG 4.21Å |
| 168 | V | 89.6 | Confident | 91.2 | Very high | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.024 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 122.5 | 176.3 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | A99 I101 I143 P145 G146 Y148 V166 V173 | A99-V168 HydrophobicContact CB-CG1 3.49Å; A99-V168 VanDerWaalsContact CB-CG1 3.49Å; I101-V168 HydrophobicContact CD1-CG2 3.81Å; I101-V168 HydrophobicContact CG1-CG2 3.91Å; I143-V168 HydrophobicContact CG2-CG1 4.49Å; I143-V168 HydrophobicContact CG2-CG2 3.95Å; P145-V168 CarbonylContact C-O 3.55Å; P145-V168 VanDerWaalsContact CA-O 3.23Å; P145-V168 WeakPolarHBondContact CA-O 3.4Å; G146-V168 PolarHBondContact N-O 3.48Å; G146-V168 PolarHBondContact O-N 2.8Å; Y148-V168 HydrophobicContact CD2-CG2 3.98Å; Y148-V168 HydrophobicContact CE2-CB 4.36Å; Y148-V168 HydrophobicContact CE2-CG2 4.16Å; V166-V168 HydrophobicContact CG1-CG2 4.26Å; V168-V173 HydrophobicContact CG2-CG2 3.95Å |
| 169 | K | 84.1 | Confident | 91.2 | Very high | 154 Ų | 154 | 70 Ų | 70 | 67% | 0.67 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -110.2 | -72 | 179.7 | -67.2 | -177.3 | -177.8 | 174.6 | 0 | 111.8 | P145 T167 | P145-K169 WeakPolarHBondContact CB-O 3.29Å; P145-K169 VanDerWaalsContact CG-O 3.29Å; P145-K169 WeakPolarHBondContact CG-O 3.18Å; T167-K169 HydrophobicContact CG2-CG 4.21Å |
| 170 | D | 80.6 | Confident | 91.2 | Very high | 82 Ų | 82 | 69.7 Ų | 69.7 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -150.7 | 13.1 | -176 | 73.5 | -48.7 | 0 | 0 | 0 | 115.7 | K76 L97 | K76-D170 IonicContact NZ-OD2 2.84Å; K76-D170 PolarHBondContact NZ-OD2 3.1Å; L97-D170 HydrophobicContact CD2-CB 4.08Å |
| 171 | E | 85.8 | Confident | 91.2 | Very high | 145 Ų | 145 | 65.3 Ų | 65.3 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -141.9 | 163.7 | 176.7 | 63.5 | -174.9 | 171.6 | 0 | 0 | 110.6 | ||
| 172 | D | 89.1 | Confident | 91.3 | Very high | 63 Ų | 63 | 59.2 Ų | 59.2 | 34% | 0.337 | 33% | 0.331 | S | S | . | . | trans | -63.8 | 135.7 | 174.7 | -70.4 | -13.5 | 0 | 0 | 0 | 110.5 | A99 R100 | A99-D172 WeakPolarHBondContact CA-OD1 3.37Å; R100-D172 HydrophobicContact CB-CB 4.4Å; R100-D172 PolarHBondContact N-OD1 2.9Å; R100-D172 IonicContact NE-OD2 3.17Å; R100-D172 PolarHBondContact NE-OD2 2.91Å; R100-D172 CarbonylContact O-C 3.58Å; R100-D172 WeakPolarHBondContact O-CA 3.24Å | ||
| 173 | V | 92.5 | Very high | 91.5 | Very high | 33 Ų | 33 | 55.4 Ų | 55.4 | 20% | 0.2 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -96.1 | 109.8 | 172.7 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | R100 I101 S102 V166 V168 V176 | R100-V173 PolarHBondContact O-N 2.91Å; I101-V173 CarbonylContact C-O 3.59Å; I101-V173 WeakPolarHBondContact CA-O 3.11Å; I101-V173 HydrophobicContact CG1-CB 4.47Å; S102-V173 PolarHBondContact N-O 2.72Å; V166-V173 HydrophobicContact CG1-CB 4Å; V166-V173 HydrophobicContact CG1-CG1 3.71Å; V166-V173 HydrophobicContact CG1-CG2 3.96Å; V168-V173 HydrophobicContact CG2-CG2 3.95Å; V173-V176 HydrophobicContact CG1-CG2 3.89Å |
| 174 | N | 92 | Very high | 91.6 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | trans | -105 | 167.3 | 177.3 | -56 | -45.1 | 0 | 0 | 0 | 110.3 | S102 V176 | S102-N174 CarbonylContact O-C 3.52Å; S102-N174 PolarHBondContact OG-OD1 2.85Å; N174-V176 PolarHBondContact O-N 3.5Å | ||
| 175 | S | 89.6 | Confident | 91.6 | Very high | 92 Ų | 92 | 52.1 Ų | 52.1 | 64% | 0.643 | 29% | 0.286 | S | S | * | . | trans | 64.4 | 35 | 176.6 | -58.5 | 0 | 0 | 0 | 0 | 114.6 | S102 D177 | S102-S175 PolarHBondContact O-N 2.97Å; S102-S175 VanDerWaalsContact O-N 3.13Å; S175-D177 PolarHBondContact O-N 2.93Å | ||
| 176 | V | 94.1 | Very high | 91.6 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | trans | -78.7 | 69.5 | 165.2 | -171.2 | 0 | 0 | 0 | 0 | 107.7 | I101 S102 G103 Y138 V150 I164 V166 V173 N174 | I101-V176 HydrophobicContact CG2-CB 4.45Å; I101-V176 HydrophobicContact CG2-CG2 3.84Å; S102-V176 PolarHBondContact O-N 3.25Å; S102-V176 VanDerWaalsContact O-N 3.11Å; G103-V176 WeakPolarHBondContact CA-O 3.38Å; Y138-V176 PolarHBondContact OH-O 2.61Å; V150-V176 HydrophobicContact CB-CG1 4.18Å; V150-V176 HydrophobicContact CG2-CG1 3.98Å; I164-V176 HydrophobicContact CB-CG1 4.06Å; I164-V176 HydrophobicContact CD1-CG1 4.05Å; I164-V176 HydrophobicContact CG2-CG1 3.91Å; V166-V176 HydrophobicContact CG2-CG1 3.95Å; V166-V176 HydrophobicContact CG2-CG2 3.82Å; V173-V176 HydrophobicContact CG1-CG2 3.89Å; N174-V176 PolarHBondContact O-N 3.5Å | ||
| 177 | D | 93.8 | Very high | 91.8 | Very high | 57 Ų | 57 | 46.9 Ų | 46.9 | 31% | 0.305 | 26% | 0.258 | S | S | . | . | trans | -92 | 139.8 | -168.8 | -58.5 | -29.1 | 0 | 0 | 0 | 111.4 | G103 R104 I164 S175 | G103-D177 WeakPolarHBondContact CA-OD1 3.38Å; R104-D177 PolarHBondContact N-OD1 3Å; R104-D177 VanDerWaalsContact O-CA 3.26Å; R104-D177 WeakPolarHBondContact O-CA 3.43Å; R104-D177 WeakPolarHBondContact O-CB 3.39Å; I164-D177 WeakPolarHBondContact CD1-O 3.27Å; S175-D177 PolarHBondContact O-N 2.93Å | ||
| 178 | F | 93.9 | Very high | 92 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.1 | 173.4 | -76 | -91.9 | 0 | 0 | 0 | 110.1 | R104 L105 L106 Y138 V150 T152 W159 K161 I164 | R104-F178 PolarHBondContact O-N 3.12Å; L105-F178 HydrophobicContact CD2-CB 3.88Å; L105-F178 HydrophobicContact CD2-CD2 4.36Å; L105-F178 HydrophobicContact CD2-CG 4.49Å; L106-F178 PolarHBondContact N-O 2.8Å; Y138-F178 HydrophobicContact CE1-CD2 4.22Å; Y138-F178 WeakPolarHBondContact OH-CE2 3.47Å; V150-F178 HydrophobicContact CB-CE2 4.29Å; V150-F178 HydrophobicContact CB-CZ 4.34Å; V150-F178 HydrophobicContact CG1-CE2 3.78Å; V150-F178 HydrophobicContact CG1-CZ 4.17Å; V150-F178 WeakPolarHBondContact O-CZ 3.46Å; T152-F178 HydrophobicContact CG2-CB 4.1Å; T152-F178 HydrophobicContact CG2-CD1 3.61Å; T152-F178 HydrophobicContact CG2-CD2 3.74Å; T152-F178 HydrophobicContact CG2-CE1 3.87Å; T152-F178 HydrophobicContact CG2-CE2 3.98Å; T152-F178 HydrophobicContact CG2-CG 3.54Å; T152-F178 HydrophobicContact CG2-CZ 4.05Å; W159-F178 HydrophobicContact CD2-CB 4.31Å; W159-F178 HydrophobicContact CE3-CB 3.62Å; W159-F178 HydrophobicContact CZ3-CB 3.79Å; K161-F178 VanDerWaalsContact O-CD1 3.26Å; K161-F178 WeakPolarHBondContact O-CD1 3.47Å; K161-F178 VanDerWaalsContact O-CE1 3.31Å; K161-F178 WeakPolarHBondContact O-CE1 3.44Å; I164-F178 HydrophobicContact CB-CZ 4.43Å; I164-F178 HydrophobicContact CD1-CD1 4.23Å; I164-F178 HydrophobicContact CD1-CD2 4.19Å; I164-F178 HydrophobicContact CD1-CE1 4.01Å; I164-F178 HydrophobicContact CD1-CE2 3.97Å; I164-F178 HydrophobicContact CD1-CG 4.32Å; I164-F178 HydrophobicContact CD1-CZ 3.87Å; I164-F178 HydrophobicContact CG1-CE1 4Å; I164-F178 HydrophobicContact CG1-CE2 4.47Å; I164-F178 HydrophobicContact CG1-CZ 3.91Å |
| 179 | S | 93 | Very high | 92.3 | Very high | 39 Ų | 39 | 46.5 Ų | 46.5 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 120 | 174.8 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | W159 E160 S181 | W159-S179 WeakPolarHBondContact CA-O 3.27Å; E160-S179 PolarHBondContact N-O 3.13Å; S179-S181 PolarHBondContact O-N 2.91Å |
| 180 | Q | 92.9 | Very high | 92.9 | Very high | 15 Ų | 15 | 40 Ų | 40 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 124.5 | 173.5 | -173.8 | -169.9 | 3.1 | 0 | 0 | 108.7 | L106 I108 C158 W159 G182 | L106-Q180 PolarHBondContact O-N 2.99Å; I108-Q180 HydrophobicContact CD1-CG 4.09Å; I108-Q180 HydrophobicContact CG1-CB 4.19Å; I108-Q180 HydrophobicContact CG1-CG 4.15Å; C158-Q180 CarbonylContact O-C 3.57Å; C158-Q180 WeakPolarHBondContact O-CA 3.32Å; C158-Q180 WeakPolarHBondContact O-CG 3.48Å; W159-Q180 HydrophobicContact CE3-CB 4.17Å; W159-Q180 HydrophobicContact CZ3-CB 3.93Å; Q180-G182 WeakPolarHBondContact CG-O 3.48Å; Q180-G182 PolarHBondContact NE2-O 2.83Å |
| 181 | S | 92.9 | Very high | 93.6 | Very high | 57 Ų | 57 | 36.7 Ų | 36.7 | 40% | 0.399 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -17.1 | 175.5 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | C158 W159 S179 | C158-S181 VanDerWaalsContact C-OG 3.24Å; C158-S181 VanDerWaalsContact CB-OG 3.26Å; C158-S181 WeakPolarHBondContact CB-OG 3.27Å; C158-S181 PolarHBondContact O-N 3.18Å; C158-S181 PolarHBondContact O-OG 2.83Å; W159-S181 VanDerWaalsContact C-OG 3.31Å; W159-S181 PolarHBondContact N-OG 3.43Å; W159-S181 PolarHBondContact O-OG 2.79Å; S179-S181 PolarHBondContact O-N 2.91Å |
| 182 | G | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.5 | -161.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | C158 Q180 L220 | C158-G182 PolarHBondContact N-O 3.01Å; C158-G182 PolarHBondContact O-N 2.82Å; Q180-G182 WeakPolarHBondContact CG-O 3.48Å; Q180-G182 PolarHBondContact NE2-O 2.83Å; G182-L220 CarbonylContact C-O 3.41Å; G182-L220 WeakPolarHBondContact CA-O 3.41Å |
| 183 | F | 94.2 | Very high | 94.3 | Very high | 22 Ų | 22 | 30.4 Ų | 30.4 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 135.5 | 174.2 | -66.1 | -94 | 0 | 0 | 0 | 109.5 | L157 L185 C219 L220 I222 R223 T245 | L157-F183 HydrophobicContact CD2-CD1 4.01Å; L157-F183 HydrophobicContact CD2-CE1 3.97Å; F183-L185 PolarHBondContact O-N 2.97Å; F183-C219 CarbonylContact O-C 3.5Å; F183-C219 WeakPolarHBondContact O-CA 3.43Å; F183-L220 PolarHBondContact N-O 3.23Å; F183-L220 PolarHBondContact O-N 3.27Å; F183-I222 VanDerWaalsContact CD2-C 3.45Å; F183-R223 HydrophobicContact CE1-CB 4.06Å; F183-R223 HydrophobicContact CE1-CG 4.19Å; F183-R223 HydrophobicContact CE2-CB 3.93Å; F183-R223 VanDerWaalsContact CE2-N 3.27Å; F183-R223 HydrophobicContact CZ-CB 3.65Å; F183-R223 HydrophobicContact CZ-CG 4.26Å; F183-T245 HydrophobicContact CB-CG2 3.77Å; F183-T245 HydrophobicContact CG-CG2 4.2Å |
| 184 | T | 94.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 9% | 0.092 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 132.1 | -175.2 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | D155 R156 L157 T217 F218 Y243 | D155-T184 WeakPolarHBondContact O-CB 3.38Å; D155-T184 VanDerWaalsContact O-CG2 3.29Å; D155-T184 WeakPolarHBondContact O-CG2 3.31Å; D155-T184 PolarHBondContact O-OG1 3.17Å; R156-T184 PolarHBondContact O-N 3.17Å; R156-T184 PolarHBondContact O-OG1 3.31Å; L157-T184 PolarHBondContact N-OG1 3.43Å; T184-T217 HydrophobicContact CG2-CG2 3.29Å; T184-F218 CarbonylContact C-O 3.44Å; T184-Y243 PolarHBondContact O-OH 2.99Å |
| 185 | L | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 113.1 | 166.1 | 166.8 | 63.2 | 0 | 0 | 0 | 107.5 | F183 V187 L195 F209 T217 F218 L220 Y243 V251 | F183-L185 PolarHBondContact O-N 2.97Å; L185-V187 HydrophobicContact CD1-CG2 3.99Å; L185-V187 HydrophobicContact CD2-CG2 4.11Å; L185-V187 HydrophobicContact CG-CG2 3.78Å; L185-L195 HydrophobicContact CD2-CD2 4.27Å; L185-F209 HydrophobicContact CD2-CE2 4.32Å; L185-T217 CarbonylContact O-C 3.58Å; L185-T217 WeakPolarHBondContact O-CA 3.37Å; L185-F218 PolarHBondContact N-O 2.97Å; L185-F218 PolarHBondContact O-N 2.66Å; L185-L220 HydrophobicContact CB-CD1 3.94Å; L185-L220 HydrophobicContact CB-CG 4.05Å; L185-L220 HydrophobicContact CD2-CD1 4.29Å; L185-L220 HydrophobicContact CD2-CD2 4.27Å; L185-L220 HydrophobicContact CD2-CG 4.35Å; L185-Y243 HydrophobicContact CB-CE1 4.12Å; L185-Y243 HydrophobicContact CD1-CD1 3.77Å; L185-Y243 HydrophobicContact CD1-CD2 3.6Å; L185-Y243 HydrophobicContact CD1-CE1 3.87Å; L185-Y243 HydrophobicContact CD1-CE2 3.73Å; L185-Y243 HydrophobicContact CD1-CG 3.6Å; L185-V251 HydrophobicContact CD1-CG2 3.82Å |
| 186 | T | 95.3 | Very high | 95 | Very high | 23 Ų | 23 | 24.4 Ų | 24.4 | 14% | 0.141 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 126.7 | 174 | -57.1 | 0 | 0 | 0 | 0 | 109.3 | R215 T217 L250 V251 | T186-R215 HydrophobicContact CG2-CG 3.93Å; T186-T217 PolarHBondContact OG1-OG1 3.33Å; T186-L250 HydrophobicContact CG2-CD1 3.47Å; T186-L250 VanDerWaalsContact CG2-CD1 3.47Å; T186-V251 PolarHBondContact O-N 3.39Å; T186-V251 VanDerWaalsContact O-N 3.17Å |
| 187 | V | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.5 | 178.6 | -169.5 | 0 | 0 | 0 | 0 | 109.6 | L185 L195 I211 R215 E216 F218 V251 L253 | L185-V187 HydrophobicContact CD1-CG2 3.99Å; L185-V187 HydrophobicContact CD2-CG2 4.11Å; L185-V187 HydrophobicContact CG-CG2 3.78Å; V187-L195 HydrophobicContact CG2-CD2 4.29Å; V187-I211 HydrophobicContact CB-CD1 3.97Å; V187-I211 HydrophobicContact CB-CG2 4.5Å; V187-I211 HydrophobicContact CG1-CD1 3.75Å; V187-I211 HydrophobicContact CG1-CG2 4.31Å; V187-I211 HydrophobicContact CG2-CD1 3.96Å; V187-R215 WeakPolarHBondContact O-CA 3.24Å; V187-E216 PolarHBondContact N-O 3.1Å; V187-E216 PolarHBondContact O-N 3.19Å; V187-F218 HydrophobicContact CG2-CD2 4.44Å; V187-V251 WeakPolarHBondContact CA-O 3.46Å; V187-V251 HydrophobicContact CG1-CB 4.38Å; V187-V251 HydrophobicContact CG1-CG1 4.36Å; V187-V251 HydrophobicContact CG2-CB 4.38Å; V187-L253 HydrophobicContact CG1-CD1 3.74Å; V187-L253 HydrophobicContact CG1-CG 3.87Å |
| 188 | M | 96.7 | Very high | 95.3 | Very high | 74 Ų | 74 | 27.2 Ų | 27.2 | 37% | 0.365 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 111.3 | 170 | -174.5 | 173.9 | 68.5 | 0 | 0 | 109 | G214 L250 V251 I252 L253 | M188-G214 CarbonylContact C-O 3.56Å; M188-G214 WeakPolarHBondContact CA-O 3.4Å; M188-L250 HydrophobicContact CB-CD1 4.14Å; M188-L250 HydrophobicContact CB-CD2 4.25Å; M188-L250 HydrophobicContact CB-CG 4.39Å; M188-L250 HydrophobicContact CE-CD2 4.28Å; M188-V251 PolarHBondContact N-O 3.23Å; M188-I252 HydrophobicContact CE-CB 4.45Å; M188-I252 HydrophobicContact CE-CD1 3.9Å; M188-I252 HydrophobicContact CE-CG1 3.93Å; M188-I252 HydrophobicContact CE-CG2 3.8Å; M188-I252 CarbonylContact O-C 3.58Å; M188-I252 WeakPolarHBondContact O-CA 3.45Å; M188-L253 PolarHBondContact O-N 2.94Å |
| 189 | S | 96.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 4% | 0.035 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.7 | -178.4 | -168.4 | 0 | 0 | 0 | 0 | 112.4 | H191 G214 | S189-H191 VanDerWaalsContact C-N 3.26Å; S189-H191 WeakPolarHBondContact CB-O 3.17Å; S189-H191 PolarHBondContact O-N 2.93Å; S189-H191 PolarHBondContact OG-N 2.89Å; S189-H191 PolarHBondContact OG-O 3.44Å; S189-G214 PolarHBondContact N-O 3.49Å; S189-G214 PolarHBondContact O-N 3.17Å |
| 190 | S | 95.9 | Very high | 95.5 | Very high | 19 Ų | 19 | 28 Ų | 28 | 13% | 0.133 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -67 | -27.3 | 172.4 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | K213 L253 A255 | S190-K213 WeakPolarHBondContact O-CD 3.31Å; S190-K213 WeakPolarHBondContact O-CE 3.32Å; S190-K213 WeakPolarHBondContact O-CG 3.4Å; S190-L253 PolarHBondContact N-O 3.22Å; S190-L253 PolarHBondContact OG-O 2.94Å; S190-A255 PolarHBondContact OG-N 2.91Å |
| 191 | H | 95.6 | Very high | 95.6 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -140.8 | 163.7 | -174.4 | -65.3 | 75.5 | 0 | 0 | 0 | 111.2 | S189 H234 H258 D339 D340 | S189-H191 VanDerWaalsContact C-N 3.26Å; S189-H191 WeakPolarHBondContact CB-O 3.17Å; S189-H191 PolarHBondContact O-N 2.93Å; S189-H191 PolarHBondContact OG-N 2.89Å; S189-H191 PolarHBondContact OG-O 3.44Å; H191-H234 WeakPolarHBondContact CB-NE2 3.5Å; H191-H234 AromaticContact CD2-CE1 3.39Å; H191-H234 PolarHBondContact CD2-CE1 2.97Å; H191-H234 AromaticContact CD2-NE2 3.71Å; H191-H234 AromaticContact CG-CE1 3.6Å; H191-H234 AromaticContact CG-NE2 3.61Å; H191-H258 AromaticContact CE1-CE1 3.43Å; H191-H258 PolarHBondContact CE1-CE1 3.28Å; H191-H258 VanDerWaalsContact CE1-CE1 3.43Å; H191-H258 AromaticContact NE2-CE1 3.42Å; H191-H258 PolarHBondContact NE2-CE1 3.11Å; H191-H258 AromaticContact NE2-ND1 3.81Å; H191-D339 PolarHBondContact NE2-O 3.15Å; H191-D339 VanDerWaalsContact NE2-O 3.12Å; H191-D340 IonicContact CD2-OD1 2.85Å |
| 192 | A | 95.5 | Very high | 95.6 | Very high | 68 Ų | 68 | 36.2 Ų | 36.2 | 56% | 0.562 | 20% | 0.2 | S | C | * | . | trans | -72.3 | 129.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I211 | A192-I211 CarbonylContact C-O 3.42Å; A192-I211 WeakPolarHBondContact CA-O 3.29Å | ||
| 193 | V | 95.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 159.9 | -175.8 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | I211 V230 F236 L253 | V193-I211 HydrophobicContact CG2-CB 3.83Å; V193-I211 HydrophobicContact CG2-CD1 4.37Å; V193-I211 HydrophobicContact CG2-CG1 4.34Å; V193-I211 HydrophobicContact CG2-CG2 4.43Å; V193-I211 PolarHBondContact N-O 2.97Å; V193-I211 PolarHBondContact O-N 2.85Å; V193-V230 HydrophobicContact CB-CG1 3.84Å; V193-V230 HydrophobicContact CG1-CG1 4.05Å; V193-V230 HydrophobicContact CG2-CG1 4.03Å; V193-F236 HydrophobicContact CG1-CE1 4.43Å; V193-F236 HydrophobicContact CG1-CZ 3.67Å; V193-L253 HydrophobicContact CG2-CD1 3.83Å |
| 194 | S | 96.1 | Very high | 95.4 | Very high | 48 Ų | 48 | 48 Ų | 48 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 115.5 | 167.5 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | F209 S231 | S194-F209 WeakPolarHBondContact CA-O 3.45Å; S194-S231 PolarHBondContact N-O 2.99Å; S194-S231 VanDerWaalsContact N-O 3.08Å; S194-S231 PolarHBondContact O-N 2.87Å |
| 195 | L | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 114.5 | 179.5 | -178.6 | 69.8 | 0 | 0 | 0 | 109.9 | L185 V187 T208 F209 I211 L228 V230 | L185-L195 HydrophobicContact CD2-CD2 4.27Å; V187-L195 HydrophobicContact CG2-CD2 4.29Å; L195-T208 CarbonylContact O-C 3.57Å; L195-T208 VanDerWaalsContact O-CA 3.25Å; L195-T208 WeakPolarHBondContact O-CA 3.38Å; L195-F209 PolarHBondContact N-O 3.41Å; L195-F209 PolarHBondContact O-N 2.76Å; L195-I211 HydrophobicContact CB-CD1 3.43Å; L195-I211 VanDerWaalsContact CB-CD1 3.43Å; L195-I211 HydrophobicContact CB-CG1 3.97Å; L195-I211 HydrophobicContact CD2-CD1 3.53Å; L195-I211 HydrophobicContact CG-CD1 4.05Å; L195-L228 HydrophobicContact CD1-CB 4.05Å; L195-L228 HydrophobicContact CD2-CD1 4.37Å; L195-L228 HydrophobicContact CD2-CD2 4.22Å; L195-V230 HydrophobicContact CD1-CG2 3.74Å |
| 196 | S | 96.2 | Very high | 95.4 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 130.9 | 167.9 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | G207 N229 | S196-G207 WeakPolarHBondContact CA-O 3.46Å; S196-N229 PolarHBondContact N-O 2.55Å; S196-N229 PolarHBondContact O-N 3.43Å; S196-N229 WeakPolarHBondContact OG-CB 3.45Å; S196-N229 PolarHBondContact OG-O 2.68Å |
| 197 | Y | 96.4 | Very high | 95.4 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 12% | 0.122 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 145.2 | 175.9 | 66.9 | -91.9 | 0 | 0 | 0 | 109.8 | S206 G207 F209 L220 P221 Y226 D227 | Y197-S206 CarbonylContact O-C 3.52Å; Y197-S206 WeakPolarHBondContact O-CA 3.23Å; Y197-S206 WeakPolarHBondContact O-CB 3.21Å; Y197-G207 WeakPolarHBondContact CD1-O 3.32Å; Y197-G207 VanDerWaalsContact CE1-CA 3.44Å; Y197-G207 VanDerWaalsContact CZ-CA 3.49Å; Y197-G207 PolarHBondContact N-O 2.65Å; Y197-G207 PolarHBondContact O-N 2.84Å; Y197-F209 AromaticContact CD1-CD2 3.68Å; Y197-F209 HydrophobicContact CD1-CD2 3.68Å; Y197-F209 AromaticContact CD1-CE2 3.35Å; Y197-F209 HydrophobicContact CD1-CE2 3.35Å; Y197-F209 AromaticContact CD1-CZ 3.96Å; Y197-F209 HydrophobicContact CD1-CZ 3.96Å; Y197-F209 AromaticContact CE1-CD2 3.86Å; Y197-F209 HydrophobicContact CE1-CD2 3.86Å; Y197-F209 HydrophobicContact CE1-CE1 4.02Å; Y197-F209 AromaticContact CE1-CE2 3.29Å; Y197-F209 HydrophobicContact CE1-CE2 3.29Å; Y197-F209 HydrophobicContact CE1-CG 4.44Å; Y197-F209 AromaticContact CE1-CZ 3.37Å; Y197-F209 HydrophobicContact CE1-CZ 3.37Å; Y197-F209 HydrophobicContact CG-CE2 4.3Å; Y197-L220 HydrophobicContact CD1-CD2 4.25Å; Y197-L220 HydrophobicContact CD2-CD2 3.66Å; Y197-L220 HydrophobicContact CE2-CD2 3.99Å; Y197-L220 HydrophobicContact CG-CD2 3.8Å; Y197-P221 HydrophobicContact CE2-CG 4.45Å; Y197-Y226 AromaticContact CD2-CD1 3.82Å; Y197-Y226 HydrophobicContact CD2-CD1 3.82Å; Y197-Y226 AromaticContact CD2-CE1 3.87Å; Y197-Y226 HydrophobicContact CD2-CE1 3.87Å; Y197-Y226 HydrophobicContact CE2-CE1 4.32Å; Y197-D227 WeakPolarHBondContact CA-O 3.11Å |
| 198 | R | 96.7 | Very high | 95.4 | Very high | 94 Ų | 94 | 57.3 Ų | 57.3 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 126.8 | 173.5 | -177.8 | 179.8 | 65 | -133.9 | -7.1 | 109.5 | S200 E203 Y226 D227 | R198-S200 PolarHBondContact O-N 2.69Å; R198-E203 HydrophobicContact CG-CB 4.2Å; R198-E203 HydrophobicContact CG-CG 4.37Å; R198-Y226 CarbonylContact O-C 3.59Å; R198-Y226 WeakPolarHBondContact O-CA 3.48Å; R198-D227 PolarHBondContact N-O 3.26Å; R198-D227 IonicContact NH2-OD2 3.01Å; R198-D227 PolarHBondContact NH2-OD2 3.34Å; R198-D227 PolarHBondContact O-N 3.2Å |
| 199 | H | 97.3 | Very high | 95.4 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 129.4 | 176.4 | -174.6 | -64.8 | 0 | 0 | 0 | 110.3 | V201 R202 E203 F205 R223 Y226 | H199-V201 VanDerWaalsContact C-N 3.32Å; H199-V201 PolarHBondContact ND1-N 2.84Å; H199-V201 PolarHBondContact O-N 3.47Å; H199-R202 PolarHBondContact ND1-N 2.86Å; H199-E203 WeakPolarHBondContact O-CA 3.23Å; H199-E203 PolarHBondContact O-N 2.88Å; H199-F205 HydrophobicContact CB-CB 4.01Å; H199-F205 PolarHBondContact N-O 3.45Å; H199-R223 PolarHBondContact NE2-O 2.9Å; H199-Y226 HydrophobicContact CB-CD1 3.96Å; H199-Y226 HydrophobicContact CB-CE1 3.67Å; H199-Y226 AromaticContact CD2-CE2 3.83Å; H199-Y226 AromaticContact CD2-CZ 3.68Å |
| 200 | S | 94.1 | Very high | 95.4 | Very high | 44 Ų | 44 | 60 Ų | 60 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -67.5 | -26.8 | -168.8 | -48.6 | 0 | 0 | 0 | 0 | 113.9 | R198 V225 D227 | R198-S200 PolarHBondContact O-N 2.69Å; S200-V225 PolarHBondContact N-O 2.72Å; S200-V225 PolarHBondContact OG-O 3.24Å; S200-V225 VanDerWaalsContact OG-O 3.11Å; S200-D227 PolarHBondContact OG-OD1 2.94Å |
| 201 | V | 93.9 | Very high | 95.4 | Very high | 126 Ų | 126 | 59 Ų | 59 | 76% | 0.764 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -98.8 | -52.4 | 174.7 | -174.4 | 0 | 0 | 0 | 0 | 113.4 | H199 E203 | H199-V201 VanDerWaalsContact C-N 3.32Å; H199-V201 PolarHBondContact ND1-N 2.84Å; H199-V201 PolarHBondContact O-N 3.47Å; V201-E203 PolarHBondContact O-N 2.97Å |
| 202 | R | 93.6 | Very high | 95.4 | Very high | 119 Ų | 119 | 61.1 Ų | 61.1 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | trans | -99.2 | 71.2 | -178.5 | -61.6 | 173.6 | 68.8 | -168.6 | 3.3 | 110.3 | H199 M204 F205 I222 | H199-R202 PolarHBondContact ND1-N 2.86Å; R202-M204 PolarHBondContact O-N 2.87Å; R202-F205 HydrophobicContact CB-CD2 3.72Å; R202-F205 HydrophobicContact CB-CE2 4.16Å; R202-F205 WeakPolarHBondContact O-CD2 3.32Å; R202-F205 PolarHBondContact O-N 2.85Å; R202-I222 HydrophobicContact CB-CD1 4.2Å | ||
| 203 | E | 91.4 | Very high | 95.4 | Very high | 122 Ų | 122 | 64.9 Ų | 64.9 | 57% | 0.57 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -23.1 | -172.4 | -64.4 | -175.8 | 176.2 | 0 | 0 | 115.5 | R198 H199 V201 F205 S206 | R198-E203 HydrophobicContact CG-CB 4.2Å; R198-E203 HydrophobicContact CG-CG 4.37Å; H199-E203 WeakPolarHBondContact O-CA 3.23Å; H199-E203 PolarHBondContact O-N 2.88Å; V201-E203 PolarHBondContact O-N 2.97Å; E203-F205 PolarHBondContact O-N 2.83Å; E203-F205 VanDerWaalsContact O-N 3.14Å; E203-S206 PolarHBondContact O-OG 3.03Å |
| 204 | M | 93.6 | Very high | 95.4 | Very high | 147 Ų | 147 | 65.9 Ų | 65.9 | 72% | 0.724 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -26.5 | 171.6 | 66 | -175.4 | -84.3 | 0 | 0 | 113.4 | R202 S206 | R202-M204 PolarHBondContact O-N 2.87Å; M204-S206 PolarHBondContact O-N 2.89Å |
| 205 | F | 94.2 | Very high | 95.4 | Very high | 43 Ų | 43 | 71.7 Ų | 71.7 | 19% | 0.189 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -87.7 | 83.9 | 173.9 | -64.5 | -81.9 | 0 | 0 | 0 | 109.5 | H199 R202 E203 P221 I222 | H199-F205 HydrophobicContact CB-CB 4.01Å; H199-F205 PolarHBondContact N-O 3.45Å; R202-F205 HydrophobicContact CB-CD2 3.72Å; R202-F205 HydrophobicContact CB-CE2 4.16Å; R202-F205 WeakPolarHBondContact O-CD2 3.32Å; R202-F205 PolarHBondContact O-N 2.85Å; E203-F205 PolarHBondContact O-N 2.83Å; E203-F205 VanDerWaalsContact O-N 3.14Å; F205-P221 HydrophobicContact CB-CG 3.95Å; F205-P221 HydrophobicContact CD1-CB 3.91Å; F205-P221 HydrophobicContact CD1-CG 3.74Å; F205-P221 HydrophobicContact CG-CG 4.25Å; F205-I222 HydrophobicContact CB-CD1 4.23Å; F205-I222 HydrophobicContact CB-CG1 4.27Å; F205-I222 HydrophobicContact CD1-CD1 4.39Å; F205-I222 HydrophobicContact CD1-CG1 4.32Å; F205-I222 HydrophobicContact CD1-CG2 4.1Å; F205-I222 HydrophobicContact CD2-CD1 3.4Å; F205-I222 VanDerWaalsContact CD2-CD1 3.4Å; F205-I222 HydrophobicContact CD2-CG1 4.16Å; F205-I222 HydrophobicContact CE1-CG2 3.86Å; F205-I222 HydrophobicContact CE2-CD1 3.83Å; F205-I222 HydrophobicContact CG-CD1 3.74Å; F205-I222 HydrophobicContact CG-CG1 3.97Å; F205-I222 HydrophobicContact CG-CG2 4.5Å; F205-I222 HydrophobicContact CZ-CD1 4.44Å; F205-I222 HydrophobicContact CZ-CG2 4.1Å |
| 206 | S | 95.3 | Very high | 95.4 | Very high | 68 Ų | 68 | 76 Ų | 76 | 48% | 0.476 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 162.7 | 175.9 | 54.1 | 0 | 0 | 0 | 0 | 111 | Y197 E203 M204 | Y197-S206 CarbonylContact O-C 3.52Å; Y197-S206 WeakPolarHBondContact O-CA 3.23Å; Y197-S206 WeakPolarHBondContact O-CB 3.21Å; E203-S206 PolarHBondContact O-OG 3.03Å; M204-S206 PolarHBondContact O-N 2.89Å |
| 207 | G | 95.6 | Very high | 95.3 | Very high | 25 Ų | 25 | 77 Ų | 77 | 26% | 0.258 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.5 | -171.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S196 Y197 | S196-G207 WeakPolarHBondContact CA-O 3.46Å; Y197-G207 WeakPolarHBondContact CD1-O 3.32Å; Y197-G207 VanDerWaalsContact CE1-CA 3.44Å; Y197-G207 VanDerWaalsContact CZ-CA 3.49Å; Y197-G207 PolarHBondContact N-O 2.65Å; Y197-G207 PolarHBondContact O-N 2.84Å |
| 208 | T | 96.7 | Very high | 95.3 | Very high | 99 Ų | 99 | 77 Ų | 77 | 61% | 0.607 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.8 | 178.5 | 55.4 | 0 | 0 | 0 | 0 | 110.9 | L195 | L195-T208 CarbonylContact O-C 3.57Å; L195-T208 VanDerWaalsContact O-CA 3.25Å; L195-T208 WeakPolarHBondContact O-CA 3.38Å |
| 209 | F | 96.8 | Very high | 95.2 | Very high | 33 Ų | 33 | 75 Ų | 75 | 15% | 0.145 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.3 | 172.7 | -63.2 | -53.8 | 0 | 0 | 0 | 109.9 | L185 S194 L195 Y197 I211 F218 L220 | L185-F209 HydrophobicContact CD2-CE2 4.32Å; S194-F209 WeakPolarHBondContact CA-O 3.45Å; L195-F209 PolarHBondContact N-O 3.41Å; L195-F209 PolarHBondContact O-N 2.76Å; Y197-F209 AromaticContact CD1-CD2 3.68Å; Y197-F209 HydrophobicContact CD1-CD2 3.68Å; Y197-F209 AromaticContact CD1-CE2 3.35Å; Y197-F209 HydrophobicContact CD1-CE2 3.35Å; Y197-F209 AromaticContact CD1-CZ 3.96Å; Y197-F209 HydrophobicContact CD1-CZ 3.96Å; Y197-F209 AromaticContact CE1-CD2 3.86Å; Y197-F209 HydrophobicContact CE1-CD2 3.86Å; Y197-F209 HydrophobicContact CE1-CE1 4.02Å; Y197-F209 AromaticContact CE1-CE2 3.29Å; Y197-F209 HydrophobicContact CE1-CE2 3.29Å; Y197-F209 HydrophobicContact CE1-CG 4.44Å; Y197-F209 AromaticContact CE1-CZ 3.37Å; Y197-F209 HydrophobicContact CE1-CZ 3.37Å; Y197-F209 HydrophobicContact CG-CE2 4.3Å; F209-I211 HydrophobicContact CB-CG1 4.28Å; F209-F218 HydrophobicContact CB-CD1 3.98Å; F209-F218 HydrophobicContact CB-CE1 3.92Å; F209-F218 HydrophobicContact CB-CG 4.34Å; F209-F218 HydrophobicContact CB-CZ 4.21Å; F209-F218 HydrophobicContact CD1-CB 4.26Å; F209-F218 AromaticContact CD1-CD1 3.51Å; F209-F218 HydrophobicContact CD1-CD1 3.51Å; F209-F218 HydrophobicContact CD1-CE1 4.12Å; F209-F218 HydrophobicContact CD1-CG 4.06Å; F209-F218 HydrophobicContact CD2-CB 4.01Å; F209-F218 HydrophobicContact CD2-CD1 4.27Å; F209-F218 HydrophobicContact CD2-CG 4.02Å; F209-F218 HydrophobicContact CE1-CB 4.09Å; F209-F218 HydrophobicContact CE1-CD1 4.02Å; F209-F218 HydrophobicContact CE1-CG 4.37Å; F209-F218 HydrophobicContact CE2-CB 3.8Å; F209-F218 HydrophobicContact CE2-CG 4.32Å; F209-F218 HydrophobicContact CG-CB 4.24Å; F209-F218 AromaticContact CG-CD1 3.67Å; F209-F218 HydrophobicContact CG-CD1 3.67Å; F209-F218 HydrophobicContact CG-CE1 4.13Å; F209-F218 AromaticContact CG-CG 3.88Å; F209-F218 HydrophobicContact CG-CG 3.88Å; F209-F218 HydrophobicContact CZ-CB 3.85Å; F209-F218 HydrophobicContact CZ-CG 4.49Å; F209-L220 HydrophobicContact CE2-CD2 4.12Å |
| 210 | S | 96.6 | Very high | 95.2 | Very high | 101 Ų | 101 | 74.5 Ų | 74.5 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 109.7 | 166.4 | -171.8 | 0 | 0 | 0 | 0 | 108 | ||
| 211 | I | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 117.2 | -175.3 | -55.2 | -168.1 | 0 | 0 | 0 | 108.1 | V187 A192 V193 L195 F209 F218 L253 | V187-I211 HydrophobicContact CB-CD1 3.97Å; V187-I211 HydrophobicContact CB-CG2 4.5Å; V187-I211 HydrophobicContact CG1-CD1 3.75Å; V187-I211 HydrophobicContact CG1-CG2 4.31Å; V187-I211 HydrophobicContact CG2-CD1 3.96Å; A192-I211 CarbonylContact C-O 3.42Å; A192-I211 WeakPolarHBondContact CA-O 3.29Å; V193-I211 HydrophobicContact CG2-CB 3.83Å; V193-I211 HydrophobicContact CG2-CD1 4.37Å; V193-I211 HydrophobicContact CG2-CG1 4.34Å; V193-I211 HydrophobicContact CG2-CG2 4.43Å; V193-I211 PolarHBondContact N-O 2.97Å; V193-I211 PolarHBondContact O-N 2.85Å; L195-I211 HydrophobicContact CB-CD1 3.43Å; L195-I211 VanDerWaalsContact CB-CD1 3.43Å; L195-I211 HydrophobicContact CB-CG1 3.97Å; L195-I211 HydrophobicContact CD2-CD1 3.53Å; L195-I211 HydrophobicContact CG-CD1 4.05Å; F209-I211 HydrophobicContact CB-CG1 4.28Å; I211-F218 HydrophobicContact CD1-CE2 4.22Å; I211-F218 HydrophobicContact CG1-CE2 3.84Å; I211-F218 HydrophobicContact CG1-CZ 4.01Å; I211-F218 HydrophobicContact CG2-CE2 4.47Å; I211-L253 HydrophobicContact CD1-CD1 4.34Å |
| 212 | P | 95.8 | Very high | 95.1 | Very high | 54 Ų | 54 | 68.4 Ų | 68.4 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 167 | 172.9 | 31.6 | -34.5 | 0 | 0 | 0 | 111 | G214 E216 | P212-G214 PolarHBondContact O-N 2.82Å; P212-E216 HydrophobicContact CG-CB 4.15Å; P212-E216 HydrophobicContact CG-CG 4.19Å |
| 213 | K | 95.1 | Very high | 95.1 | Very high | 147 Ų | 147 | 68 Ų | 68 | 64% | 0.639 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -63.2 | 132.1 | 168.3 | 175 | 170.6 | -176.2 | 167.3 | 0 | 109.8 | S190 | S190-K213 WeakPolarHBondContact O-CD 3.31Å; S190-K213 WeakPolarHBondContact O-CE 3.32Å; S190-K213 WeakPolarHBondContact O-CG 3.4Å |
| 214 | G | 96.2 | Very high | 95.2 | Very high | 30 Ų | 30 | 63.1 Ų | 63.1 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 112.6 | -151.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M188 S189 P212 | M188-G214 CarbonylContact C-O 3.56Å; M188-G214 WeakPolarHBondContact CA-O 3.4Å; S189-G214 PolarHBondContact N-O 3.49Å; S189-G214 PolarHBondContact O-N 3.17Å; P212-G214 PolarHBondContact O-N 2.82Å |
| 215 | R | 96.5 | Very high | 95.3 | Very high | 170 Ų | 170 | 59 Ų | 59 | 64% | 0.642 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.1 | -179.3 | -179.7 | -178.7 | -175.4 | -97.5 | 1.1 | 109.3 | T186 V187 | T186-R215 HydrophobicContact CG2-CG 3.93Å; V187-R215 WeakPolarHBondContact O-CA 3.24Å |
| 216 | E | 95.5 | Very high | 95.5 | Very high | 91 Ų | 91 | 57 Ų | 57 | 43% | 0.425 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.9 | 177 | -163.4 | 65.2 | -142.7 | 0 | 0 | 109.7 | V187 P212 F218 | V187-E216 PolarHBondContact N-O 3.1Å; V187-E216 PolarHBondContact O-N 3.19Å; P212-E216 HydrophobicContact CG-CB 4.15Å; P212-E216 HydrophobicContact CG-CG 4.19Å; E216-F218 HydrophobicContact CB-CE2 3.79Å; E216-F218 HydrophobicContact CB-CZ 4.03Å; E216-F218 HydrophobicContact CG-CE1 4.23Å; E216-F218 HydrophobicContact CG-CE2 3.76Å; E216-F218 HydrophobicContact CG-CZ 3.55Å |
| 217 | T | 94.6 | Very high | 95.5 | Very high | 60 Ų | 60 | 56.3 Ų | 56.3 | 37% | 0.368 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132 | -177.5 | -65 | 0 | 0 | 0 | 0 | 110.3 | T184 L185 T186 | T184-T217 HydrophobicContact CG2-CG2 3.29Å; L185-T217 CarbonylContact O-C 3.58Å; L185-T217 WeakPolarHBondContact O-CA 3.37Å; T186-T217 PolarHBondContact OG1-OG1 3.33Å |
| 218 | F | 95.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 55.2 Ų | 55.2 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 171.2 | -177.4 | -60 | -83.4 | 0 | 0 | 0 | 111.2 | T184 L185 V187 F209 I211 E216 | T184-F218 CarbonylContact C-O 3.44Å; L185-F218 PolarHBondContact N-O 2.97Å; L185-F218 PolarHBondContact O-N 2.66Å; V187-F218 HydrophobicContact CG2-CD2 4.44Å; F209-F218 HydrophobicContact CB-CD1 3.98Å; F209-F218 HydrophobicContact CB-CE1 3.92Å; F209-F218 HydrophobicContact CB-CG 4.34Å; F209-F218 HydrophobicContact CB-CZ 4.21Å; F209-F218 HydrophobicContact CD1-CB 4.26Å; F209-F218 AromaticContact CD1-CD1 3.51Å; F209-F218 HydrophobicContact CD1-CD1 3.51Å; F209-F218 HydrophobicContact CD1-CE1 4.12Å; F209-F218 HydrophobicContact CD1-CG 4.06Å; F209-F218 HydrophobicContact CD2-CB 4.01Å; F209-F218 HydrophobicContact CD2-CD1 4.27Å; F209-F218 HydrophobicContact CD2-CG 4.02Å; F209-F218 HydrophobicContact CE1-CB 4.09Å; F209-F218 HydrophobicContact CE1-CD1 4.02Å; F209-F218 HydrophobicContact CE1-CG 4.37Å; F209-F218 HydrophobicContact CE2-CB 3.8Å; F209-F218 HydrophobicContact CE2-CG 4.32Å; F209-F218 HydrophobicContact CG-CB 4.24Å; F209-F218 AromaticContact CG-CD1 3.67Å; F209-F218 HydrophobicContact CG-CD1 3.67Å; F209-F218 HydrophobicContact CG-CE1 4.13Å; F209-F218 AromaticContact CG-CG 3.88Å; F209-F218 HydrophobicContact CG-CG 3.88Å; F209-F218 HydrophobicContact CZ-CB 3.85Å; F209-F218 HydrophobicContact CZ-CG 4.49Å; I211-F218 HydrophobicContact CD1-CE2 4.22Å; I211-F218 HydrophobicContact CG1-CE2 3.84Å; I211-F218 HydrophobicContact CG1-CZ 4.01Å; I211-F218 HydrophobicContact CG2-CE2 4.47Å; E216-F218 HydrophobicContact CB-CE2 3.79Å; E216-F218 HydrophobicContact CB-CZ 4.03Å; E216-F218 HydrophobicContact CG-CE1 4.23Å; E216-F218 HydrophobicContact CG-CE2 3.76Å; E216-F218 HydrophobicContact CG-CZ 3.55Å |
| 219 | C | 95.2 | Very high | 95.5 | Very high | 53 Ų | 53 | 54.4 Ų | 54.4 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.5 | -175.7 | -57 | 0 | 0 | 0 | 0 | 111.4 | C158 F183 | C158-C219 HydrophobicContact CB-CB 3.59Å; C158-C219 WeakPolarHBondContact CB-SG 3.4Å; C158-C219 WeakPolarHBondContact SG-CA 3.37Å; C158-C219 WeakPolarHBondContact SG-CB 3.3Å; C158-C219 CovalentContact SG-SG 2.03Å; C158-C219 PolarHBondContact SG-SG 2.77Å; F183-C219 CarbonylContact O-C 3.5Å; F183-C219 WeakPolarHBondContact O-CA 3.43Å |
| 220 | L | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 143.7 | 175.2 | -66.1 | 171.2 | 0 | 0 | 0 | 110.6 | G182 F183 L185 Y197 F209 Y226 Y243 T245 | G182-L220 CarbonylContact C-O 3.41Å; G182-L220 WeakPolarHBondContact CA-O 3.41Å; F183-L220 PolarHBondContact N-O 3.23Å; F183-L220 PolarHBondContact O-N 3.27Å; L185-L220 HydrophobicContact CB-CD1 3.94Å; L185-L220 HydrophobicContact CB-CG 4.05Å; L185-L220 HydrophobicContact CD2-CD1 4.29Å; L185-L220 HydrophobicContact CD2-CD2 4.27Å; L185-L220 HydrophobicContact CD2-CG 4.35Å; Y197-L220 HydrophobicContact CD1-CD2 4.25Å; Y197-L220 HydrophobicContact CD2-CD2 3.66Å; Y197-L220 HydrophobicContact CE2-CD2 3.99Å; Y197-L220 HydrophobicContact CG-CD2 3.8Å; F209-L220 HydrophobicContact CE2-CD2 4.12Å; L220-Y226 HydrophobicContact CB-CE1 4.47Å; L220-Y226 HydrophobicContact CB-CE2 4.12Å; L220-Y226 HydrophobicContact CD1-CD2 3.74Å; L220-Y226 HydrophobicContact CD1-CE2 3.84Å; L220-Y226 HydrophobicContact CD1-CG 4.1Å; L220-Y226 HydrophobicContact CD2-CD1 4.09Å; L220-Y226 HydrophobicContact CD2-CE1 4.02Å; L220-Y226 HydrophobicContact CD2-CG 4.41Å; L220-Y226 HydrophobicContact CG-CE2 4.43Å; L220-Y243 HydrophobicContact CD1-CD1 3.54Å; L220-Y243 HydrophobicContact CD1-CE1 3.73Å; L220-T245 HydrophobicContact CD1-CG2 4.21Å |
| 221 | P | 93.8 | Very high | 95.2 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -74.2 | -32.2 | -166.4 | 27.5 | -36.3 | 0 | 0 | 0 | 115 | I108 Y197 F205 Y226 | I108-P221 WeakPolarHBondContact CD1-O 3.35Å; Y197-P221 HydrophobicContact CE2-CG 4.45Å; F205-P221 HydrophobicContact CB-CG 3.95Å; F205-P221 HydrophobicContact CD1-CB 3.91Å; F205-P221 HydrophobicContact CD1-CG 3.74Å; F205-P221 HydrophobicContact CG-CG 4.25Å; P221-Y226 WeakPolarHBondContact CD-OH 3.44Å |
| 222 | I | 93.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -139.8 | 164.1 | -177.1 | 61.3 | 166.1 | 0 | 0 | 0 | 111.1 | I108 F183 R202 F205 Y226 | I108-I222 HydrophobicContact CG2-CG2 4.46Å; F183-I222 VanDerWaalsContact CD2-C 3.45Å; R202-I222 HydrophobicContact CB-CD1 4.2Å; F205-I222 HydrophobicContact CB-CD1 4.23Å; F205-I222 HydrophobicContact CB-CG1 4.27Å; F205-I222 HydrophobicContact CD1-CD1 4.39Å; F205-I222 HydrophobicContact CD1-CG1 4.32Å; F205-I222 HydrophobicContact CD1-CG2 4.1Å; F205-I222 HydrophobicContact CD2-CD1 3.4Å; F205-I222 VanDerWaalsContact CD2-CD1 3.4Å; F205-I222 HydrophobicContact CD2-CG1 4.16Å; F205-I222 HydrophobicContact CE1-CG2 3.86Å; F205-I222 HydrophobicContact CE2-CD1 3.83Å; F205-I222 HydrophobicContact CG-CD1 3.74Å; F205-I222 HydrophobicContact CG-CG1 3.97Å; F205-I222 HydrophobicContact CG-CG2 4.5Å; F205-I222 HydrophobicContact CZ-CD1 4.44Å; F205-I222 HydrophobicContact CZ-CG2 4.1Å; I222-Y226 VanDerWaalsContact CG1-OH 3.29Å; I222-Y226 WeakPolarHBondContact CG1-OH 3.33Å; I222-Y226 PolarHBondContact N-OH 3.03Å; I222-Y226 VanDerWaalsContact N-OH 3.17Å; I222-Y226 WeakPolarHBondContact O-CE2 3.3Å; I222-Y226 PolarHBondContact O-OH 2.83Å |
| 223 | R | 92.6 | Very high | 95 | Very high | 111 Ų | 111 | 55.2 Ų | 55.2 | 42% | 0.419 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -73.7 | 144.5 | 176.9 | -167.1 | 179.9 | 172.1 | 166.2 | -1.5 | 110.7 | E109 F183 H199 T245 D246 | E109-R223 WeakPolarHBondContact OE1-CB 3.34Å; E109-R223 PolarHBondContact OE1-N 3.2Å; E109-R223 VanDerWaalsContact OE1-N 3.12Å; E109-R223 WeakPolarHBondContact OE2-CB 3.35Å; E109-R223 WeakPolarHBondContact OE2-CD 3.26Å; F183-R223 HydrophobicContact CE1-CB 4.06Å; F183-R223 HydrophobicContact CE1-CG 4.19Å; F183-R223 HydrophobicContact CE2-CB 3.93Å; F183-R223 VanDerWaalsContact CE2-N 3.27Å; F183-R223 HydrophobicContact CZ-CB 3.65Å; F183-R223 HydrophobicContact CZ-CG 4.26Å; H199-R223 PolarHBondContact NE2-O 2.9Å; R223-T245 WeakPolarHBondContact CG-OG1 3.46Å; R223-D246 IonicContact CZ-OD1 2.74Å; R223-D246 VanDerWaalsContact CZ-OD1 3.24Å; R223-D246 IonicContact CZ-OD2 2.83Å; R223-D246 IonicContact NE-OD1 3.77Å; R223-D246 PolarHBondContact NE-OD1 3Å; R223-D246 IonicContact NE-OD2 3.22Å; R223-D246 IonicContact NH2-OD1 3.72Å; R223-D246 PolarHBondContact NH2-OD1 3.27Å; R223-D246 IonicContact NH2-OD2 3.23Å; R223-D246 PolarHBondContact NH2-OD2 2.79Å |
| 224 | G | 93.8 | Very high | 95.1 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 19% | 0.186 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 141.8 | -163.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T245 | G224-T245 PolarHBondContact N-OG1 3.3Å; G224-T245 WeakPolarHBondContact O-CG2 3.34Å; G224-T245 PolarHBondContact O-N 2.87Å; G224-T245 PolarHBondContact O-OG1 2.85Å |
| 225 | V | 96.1 | Very high | 95 | Very high | 62 Ų | 62 | 50.7 Ų | 50.7 | 38% | 0.376 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 135.6 | 179 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | S200 Y243 D244 | S200-V225 PolarHBondContact N-O 2.72Å; S200-V225 PolarHBondContact OG-O 3.24Å; S200-V225 VanDerWaalsContact OG-O 3.11Å; V225-Y243 CarbonylContact C-O 3.59Å; V225-Y243 WeakPolarHBondContact CA-O 3.4Å; V225-D244 HydrophobicContact CG2-CB 4.3Å |
| 226 | Y | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.6 | 178.8 | -71.6 | -99.7 | 0 | 0 | 0 | 110.9 | Y197 R198 H199 L220 P221 I222 S242 Y243 T245 | Y197-Y226 AromaticContact CD2-CD1 3.82Å; Y197-Y226 HydrophobicContact CD2-CD1 3.82Å; Y197-Y226 AromaticContact CD2-CE1 3.87Å; Y197-Y226 HydrophobicContact CD2-CE1 3.87Å; Y197-Y226 HydrophobicContact CE2-CE1 4.32Å; R198-Y226 CarbonylContact O-C 3.59Å; R198-Y226 WeakPolarHBondContact O-CA 3.48Å; H199-Y226 HydrophobicContact CB-CD1 3.96Å; H199-Y226 HydrophobicContact CB-CE1 3.67Å; H199-Y226 AromaticContact CD2-CE2 3.83Å; H199-Y226 AromaticContact CD2-CZ 3.68Å; L220-Y226 HydrophobicContact CB-CE1 4.47Å; L220-Y226 HydrophobicContact CB-CE2 4.12Å; L220-Y226 HydrophobicContact CD1-CD2 3.74Å; L220-Y226 HydrophobicContact CD1-CE2 3.84Å; L220-Y226 HydrophobicContact CD1-CG 4.1Å; L220-Y226 HydrophobicContact CD2-CD1 4.09Å; L220-Y226 HydrophobicContact CD2-CE1 4.02Å; L220-Y226 HydrophobicContact CD2-CG 4.41Å; L220-Y226 HydrophobicContact CG-CE2 4.43Å; P221-Y226 WeakPolarHBondContact CD-OH 3.44Å; I222-Y226 VanDerWaalsContact CG1-OH 3.29Å; I222-Y226 WeakPolarHBondContact CG1-OH 3.33Å; I222-Y226 PolarHBondContact N-OH 3.03Å; I222-Y226 VanDerWaalsContact N-OH 3.17Å; I222-Y226 WeakPolarHBondContact O-CE2 3.3Å; I222-Y226 PolarHBondContact O-OH 2.83Å; Y226-S242 CarbonylContact O-C 3.6Å; Y226-S242 VanDerWaalsContact O-CA 3.25Å; Y226-S242 WeakPolarHBondContact O-CA 3.1Å; Y226-Y243 PolarHBondContact N-O 3.35Å; Y226-Y243 PolarHBondContact O-N 2.88Å; Y226-T245 HydrophobicContact CD2-CG2 4.35Å; Y226-T245 HydrophobicContact CE2-CG2 4Å |
| 227 | D | 96.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 129.1 | 165.5 | -54.5 | -21.9 | 0 | 0 | 0 | 108.6 | Y197 R198 S200 | Y197-D227 WeakPolarHBondContact CA-O 3.11Å; R198-D227 PolarHBondContact N-O 3.26Å; R198-D227 IonicContact NH2-OD2 3.01Å; R198-D227 PolarHBondContact NH2-OD2 3.34Å; R198-D227 PolarHBondContact O-N 3.2Å; S200-D227 PolarHBondContact OG-OD1 2.94Å |
| 228 | L | 96.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 112.9 | -175.4 | -67.3 | -168.2 | 0 | 0 | 0 | 109.8 | L195 F241 V251 | L195-L228 HydrophobicContact CD1-CB 4.05Å; L195-L228 HydrophobicContact CD2-CD1 4.37Å; L195-L228 HydrophobicContact CD2-CD2 4.22Å; L228-F241 HydrophobicContact CB-CB 3.64Å; L228-F241 WeakPolarHBondContact CB-O 3.48Å; L228-F241 HydrophobicContact CD1-CB 4.38Å; L228-F241 PolarHBondContact N-O 2.77Å; L228-V251 HydrophobicContact CD1-CG1 4.1Å; L228-V251 HydrophobicContact CD1-CG2 3.95Å |
| 229 | N | 94.8 | Very high | 94 | Very high | 81 Ų | 81 | 53 Ų | 53 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 114.4 | -178.7 | -86.1 | -24.7 | 0 | 0 | 0 | 110.4 | S196 | S196-N229 PolarHBondContact N-O 2.55Å; S196-N229 PolarHBondContact O-N 3.43Å; S196-N229 WeakPolarHBondContact OG-CB 3.45Å; S196-N229 PolarHBondContact OG-O 2.68Å |
| 230 | V | 95 | Very high | 93.7 | Very high | 38 Ų | 38 | 55.6 Ų | 55.6 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 119.9 | -178.2 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | V193 L195 F236 F241 L253 | V193-V230 HydrophobicContact CB-CG1 3.84Å; V193-V230 HydrophobicContact CG1-CG1 4.05Å; V193-V230 HydrophobicContact CG2-CG1 4.03Å; L195-V230 HydrophobicContact CD1-CG2 3.74Å; V230-F236 HydrophobicContact CB-CE2 4.27Å; V230-F236 HydrophobicContact CG1-CD2 4.25Å; V230-F236 HydrophobicContact CG1-CE2 3.55Å; V230-F236 HydrophobicContact CG1-CZ 3.97Å; V230-F241 HydrophobicContact CG2-CD2 3.93Å; V230-F241 HydrophobicContact CG2-CE2 4Å; V230-L253 HydrophobicContact CG2-CD1 4.05Å; V230-L253 HydrophobicContact CG2-CD2 3.94Å |
| 231 | S | 93.2 | Very high | 93.6 | Very high | 81 Ų | 81 | 57 Ų | 57 | 57% | 0.566 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 112.1 | 169.8 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | S194 | S194-S231 PolarHBondContact N-O 2.99Å; S194-S231 VanDerWaalsContact N-O 3.08Å; S194-S231 PolarHBondContact O-N 2.87Å |
| 232 | S | 93.3 | Very high | 93.6 | Very high | 37 Ų | 37 | 59.5 Ų | 59.5 | 26% | 0.259 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -162.2 | 173.4 | 179 | 78.5 | 0 | 0 | 0 | 0 | 111.3 | H234 F236 | S232-H234 PolarHBondContact O-N 2.7Å; S232-H234 PolarHBondContact OG-N 2.86Å; S232-H234 VanDerWaalsContact OG-N 3.08Å; S232-H234 PolarHBondContact OG-O 2.76Å; S232-F236 VanDerWaalsContact OG-CE2 3.31Å; S232-F236 WeakPolarHBondContact OG-CE2 3.23Å |
| 233 | C | 94.5 | Very high | 93.7 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 33% | 0.331 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -88.2 | 18.4 | 170.6 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | G259 Y310 C341 | C233-G259 PolarHBondContact O-N 3.46Å; C233-Y310 VanDerWaalsContact O-CE1 3.23Å; C233-Y310 WeakPolarHBondContact O-CE1 3.37Å; C233-C341 HydrophobicContact CB-CB 3.88Å; C233-C341 WeakPolarHBondContact CB-SG 3.3Å; C233-C341 PolarHBondContact O-SG 3.4Å; C233-C341 WeakPolarHBondContact SG-CB 3.35Å; C233-C341 CovalentContact SG-SG 2.02Å; C233-C341 PolarHBondContact SG-SG 3.08Å |
| 234 | H | 96 | Very high | 93.8 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 6% | 0.06 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 151 | 178.8 | -52.9 | -76.5 | 0 | 0 | 0 | 111.4 | H191 S232 F236 A255 K257 H258 D340 C341 | H191-H234 WeakPolarHBondContact CB-NE2 3.5Å; H191-H234 AromaticContact CD2-CE1 3.39Å; H191-H234 PolarHBondContact CD2-CE1 2.97Å; H191-H234 AromaticContact CD2-NE2 3.71Å; H191-H234 AromaticContact CG-CE1 3.6Å; H191-H234 AromaticContact CG-NE2 3.61Å; S232-H234 PolarHBondContact O-N 2.7Å; S232-H234 PolarHBondContact OG-N 2.86Å; S232-H234 VanDerWaalsContact OG-N 3.08Å; S232-H234 PolarHBondContact OG-O 2.76Å; H234-F236 HydrophobicContact CB-CE2 3.96Å; H234-F236 HydrophobicContact CB-CZ 3.8Å; H234-A255 HydrophobicContact CB-CB 3.88Å; H234-K257 WeakPolarHBondContact CA-O 3.47Å; H234-H258 AromaticContact CE1-ND1 3.44Å; H234-H258 PolarHBondContact CE1-ND1 3.19Å; H234-H258 AromaticContact ND1-CE1 3.9Å; H234-H258 AromaticContact ND1-CG 3.83Å; H234-H258 AromaticContact ND1-ND1 3.02Å; H234-H258 PolarHBondContact ND1-ND1 3.37Å; H234-D340 IonicContact CE1-OD1 3.5Å; H234-D340 PolarHBondContact CE1-OD1 3.02Å; H234-D340 VanDerWaalsContact CE1-OD1 3.32Å; H234-D340 IonicContact NE2-OD1 2.83Å; H234-C341 PolarHBondContact CE1-SG 3.47Å; H234-C341 PolarHBondContact ND1-SG 3Å |
| 235 | I | 94.8 | Very high | 93.8 | Very high | 70 Ų | 70 | 56.4 Ų | 56.4 | 36% | 0.359 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 129.7 | 164.8 | -63.1 | -172.3 | 0 | 0 | 0 | 108.5 | A255 I256 K257 Y310 | I235-A255 WeakPolarHBondContact O-CA 3.37Å; I235-I256 HydrophobicContact CG2-CD1 4.49Å; I235-I256 HydrophobicContact CG2-CG1 4.37Å; I235-I256 VanDerWaalsContact O-CG1 3.27Å; I235-I256 WeakPolarHBondContact O-CG1 3.04Å; I235-I256 PolarHBondContact O-N 2.84Å; I235-K257 HydrophobicContact CB-CB 4.22Å; I235-K257 PolarHBondContact N-O 2.8Å; I235-K257 PolarHBondContact O-N 2.8Å; I235-Y310 HydrophobicContact CD1-CD1 4.01Å; I235-Y310 HydrophobicContact CD1-CD2 3.99Å; I235-Y310 HydrophobicContact CD1-CE1 4.49Å; I235-Y310 HydrophobicContact CD1-CG 3.7Å; I235-Y310 HydrophobicContact CG1-CD1 3.68Å; I235-Y310 HydrophobicContact CG1-CD2 4.46Å; I235-Y310 HydrophobicContact CG1-CE1 3.95Å; I235-Y310 HydrophobicContact CG1-CG 3.94Å |
| 236 | F | 94.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 160.7 | -179.3 | -60.4 | -88.7 | 0 | 0 | 0 | 111.3 | V193 V230 S232 H234 E238 F241 L253 Q254 A255 | V193-F236 HydrophobicContact CG1-CE1 4.43Å; V193-F236 HydrophobicContact CG1-CZ 3.67Å; V230-F236 HydrophobicContact CB-CE2 4.27Å; V230-F236 HydrophobicContact CG1-CD2 4.25Å; V230-F236 HydrophobicContact CG1-CE2 3.55Å; V230-F236 HydrophobicContact CG1-CZ 3.97Å; S232-F236 VanDerWaalsContact OG-CE2 3.31Å; S232-F236 WeakPolarHBondContact OG-CE2 3.23Å; H234-F236 HydrophobicContact CB-CE2 3.96Å; H234-F236 HydrophobicContact CB-CZ 3.8Å; F236-E238 VanDerWaalsContact C-N 3.33Å; F236-E238 PolarHBondContact O-N 3.28Å; F236-F241 HydrophobicContact CB-CE2 4.22Å; F236-F241 HydrophobicContact CB-CZ 3.85Å; F236-F241 HydrophobicContact CG-CZ 4.35Å; F236-L253 HydrophobicContact CD1-CB 3.96Å; F236-L253 HydrophobicContact CE1-CB 3.87Å; F236-Q254 WeakPolarHBondContact CA-O 3.38Å; F236-Q254 VanDerWaalsContact CD1-C 3.49Å; F236-A255 HydrophobicContact CD1-CB 4.32Å; F236-A255 HydrophobicContact CE1-CB 4.07Å |
| 237 | R | 90.8 | Very high | 93.2 | Very high | 162 Ų | 162 | 60.1 Ų | 60.1 | 61% | 0.611 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -57.7 | -46.6 | 177.2 | -178.1 | 177.9 | -63.7 | 151.7 | 2.4 | 112.1 | Q254 I256 | R237-Q254 PolarHBondContact N-O 3.08Å; R237-Q254 VanDerWaalsContact N-O 3.08Å; R237-I256 HydrophobicContact CB-CG2 4.02Å |
| 238 | E | 90.3 | Very high | 92.8 | Very high | 107 Ų | 107 | 59.2 Ų | 59.2 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -92.8 | 134.7 | 175.8 | -56.6 | -54.8 | 149.4 | 0 | 0 | 109.8 | F236 F241 | F236-E238 VanDerWaalsContact C-N 3.33Å; F236-E238 PolarHBondContact O-N 3.28Å; E238-F241 HydrophobicContact CB-CD1 4.36Å; E238-F241 HydrophobicContact CB-CE1 3.72Å; E238-F241 HydrophobicContact CB-CZ 3.83Å; E238-F241 HydrophobicContact CG-CE1 4.32Å; E238-F241 WeakPolarHBondContact O-CE2 3.41Å; E238-F241 WeakPolarHBondContact O-CZ 3.42Å |
| 239 | P | 85.8 | Confident | 92.6 | Very high | 114 Ų | 114 | 65.8 Ų | 65.8 | 74% | 0.74 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -77.8 | -26.3 | -177.7 | 30.5 | -35 | 0 | 0 | 0 | 112.9 | ||
| 240 | T | 89.1 | Confident | 92.5 | Very high | 109 Ų | 109 | 65.6 Ų | 65.6 | 67% | 0.669 | 37% | 0.369 | S | S | * | . | trans | -140.2 | 141.4 | -175.5 | 53.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 241 | F | 93.7 | Very high | 92.6 | Very high | 28 Ų | 28 | 64.3 Ų | 64.3 | 12% | 0.123 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 139.2 | 178.9 | -59.2 | -89 | 0 | 0 | 0 | 108.7 | L228 V230 F236 E238 V251 L253 | L228-F241 HydrophobicContact CB-CB 3.64Å; L228-F241 WeakPolarHBondContact CB-O 3.48Å; L228-F241 HydrophobicContact CD1-CB 4.38Å; L228-F241 PolarHBondContact N-O 2.77Å; V230-F241 HydrophobicContact CG2-CD2 3.93Å; V230-F241 HydrophobicContact CG2-CE2 4Å; F236-F241 HydrophobicContact CB-CE2 4.22Å; F236-F241 HydrophobicContact CB-CZ 3.85Å; F236-F241 HydrophobicContact CG-CZ 4.35Å; E238-F241 HydrophobicContact CB-CD1 4.36Å; E238-F241 HydrophobicContact CB-CE1 3.72Å; E238-F241 HydrophobicContact CB-CZ 3.83Å; E238-F241 HydrophobicContact CG-CE1 4.32Å; E238-F241 WeakPolarHBondContact O-CE2 3.41Å; E238-F241 WeakPolarHBondContact O-CZ 3.42Å; F241-V251 HydrophobicContact CD1-CG1 4.29Å; F241-L253 HydrophobicContact CD1-CD2 3.75Å; F241-L253 HydrophobicContact CD2-CD2 4.02Å; F241-L253 HydrophobicContact CE1-CD2 3.51Å; F241-L253 HydrophobicContact CE2-CD2 3.81Å; F241-L253 HydrophobicContact CG-CD2 4Å; F241-L253 HydrophobicContact CZ-CD2 3.55Å |
| 242 | S | 94 | Very high | 92.7 | Very high | 88 Ų | 88 | 64.4 Ų | 64.4 | 62% | 0.615 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 153.5 | 167.8 | 60.2 | 0 | 0 | 0 | 0 | 109 | Y226 | Y226-S242 CarbonylContact O-C 3.6Å; Y226-S242 VanDerWaalsContact O-CA 3.25Å; Y226-S242 WeakPolarHBondContact O-CA 3.1Å |
| 243 | Y | 96.3 | Very high | 92.8 | Very high | 12 Ų | 12 | 62.6 Ų | 62.6 | 5% | 0.047 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131.1 | 178.3 | -179.1 | -105.4 | 0 | 0 | 0 | 110.3 | T184 L185 L220 V225 Y226 T245 E249 V251 | T184-Y243 PolarHBondContact O-OH 2.99Å; L185-Y243 HydrophobicContact CB-CE1 4.12Å; L185-Y243 HydrophobicContact CD1-CD1 3.77Å; L185-Y243 HydrophobicContact CD1-CD2 3.6Å; L185-Y243 HydrophobicContact CD1-CE1 3.87Å; L185-Y243 HydrophobicContact CD1-CE2 3.73Å; L185-Y243 HydrophobicContact CD1-CG 3.6Å; L220-Y243 HydrophobicContact CD1-CD1 3.54Å; L220-Y243 HydrophobicContact CD1-CE1 3.73Å; V225-Y243 CarbonylContact C-O 3.59Å; V225-Y243 WeakPolarHBondContact CA-O 3.4Å; Y226-Y243 PolarHBondContact N-O 3.35Å; Y226-Y243 PolarHBondContact O-N 2.88Å; Y243-T245 HydrophobicContact CD1-CG2 4.44Å; Y243-T245 HydrophobicContact CE1-CG2 4.11Å; Y243-E249 WeakPolarHBondContact CE2-O 3.43Å; Y243-V251 HydrophobicContact CD2-CG2 3.6Å; Y243-V251 HydrophobicContact CE2-CG2 4.34Å; Y243-V251 HydrophobicContact CG-CG2 4.3Å |
| 244 | D | 95.3 | Very high | 92.8 | Very high | 51 Ų | 51 | 64.2 Ų | 64.2 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.4 | 175 | -173.3 | -12.4 | 0 | 0 | 0 | 109.1 | V225 D246 T247 G248 | V225-D244 HydrophobicContact CG2-CB 4.3Å; D244-D246 PolarHBondContact O-N 2.73Å; D244-D246 WeakPolarHBondContact OD1-CB 3.43Å; D244-D246 PolarHBondContact OD1-N 3.36Å; D244-T247 HydrophobicContact CB-CG2 4.34Å; D244-T247 PolarHBondContact O-N 3.26Å; D244-T247 PolarHBondContact O-OG1 2.89Å; D244-G248 PolarHBondContact O-N 3.36Å; D244-G248 VanDerWaalsContact O-N 3.14Å |
| 245 | T | 93.3 | Very high | 92.8 | Very high | 10 Ų | 10 | 64 Ų | 64 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -20.2 | 178.2 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | F183 L220 R223 G224 Y226 Y243 | F183-T245 HydrophobicContact CB-CG2 3.77Å; F183-T245 HydrophobicContact CG-CG2 4.2Å; L220-T245 HydrophobicContact CD1-CG2 4.21Å; R223-T245 WeakPolarHBondContact CG-OG1 3.46Å; G224-T245 PolarHBondContact N-OG1 3.3Å; G224-T245 WeakPolarHBondContact O-CG2 3.34Å; G224-T245 PolarHBondContact O-N 2.87Å; G224-T245 PolarHBondContact O-OG1 2.85Å; Y226-T245 HydrophobicContact CD2-CG2 4.35Å; Y226-T245 HydrophobicContact CE2-CG2 4Å; Y243-T245 HydrophobicContact CD1-CG2 4.44Å; Y243-T245 HydrophobicContact CE1-CG2 4.11Å |
| 246 | D | 89.3 | Confident | 92.8 | Very high | 69 Ų | 69 | 63.9 Ų | 63.9 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -39.2 | -177.5 | -71 | 3.1 | 0 | 0 | 0 | 112.1 | R156 R223 D244 | R156-D246 PolarHBondContact NH1-O 2.85Å; R156-D246 VanDerWaalsContact NH1-O 3.08Å; R223-D246 IonicContact CZ-OD1 2.74Å; R223-D246 VanDerWaalsContact CZ-OD1 3.24Å; R223-D246 IonicContact CZ-OD2 2.83Å; R223-D246 IonicContact NE-OD1 3.77Å; R223-D246 PolarHBondContact NE-OD1 3Å; R223-D246 IonicContact NE-OD2 3.22Å; R223-D246 IonicContact NH2-OD1 3.72Å; R223-D246 PolarHBondContact NH2-OD1 3.27Å; R223-D246 IonicContact NH2-OD2 3.23Å; R223-D246 PolarHBondContact NH2-OD2 2.79Å; D244-D246 PolarHBondContact O-N 2.73Å; D244-D246 WeakPolarHBondContact OD1-CB 3.43Å; D244-D246 PolarHBondContact OD1-N 3.36Å |
| 247 | T | 90.5 | Very high | 92.9 | Very high | 71 Ų | 71 | 66.4 Ų | 66.4 | 44% | 0.436 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -38.5 | 178.3 | 66.1 | 0 | 0 | 0 | 0 | 111.1 | D244 E249 | D244-T247 HydrophobicContact CB-CG2 4.34Å; D244-T247 PolarHBondContact O-N 3.26Å; D244-T247 PolarHBondContact O-OG1 2.89Å; T247-E249 VanDerWaalsContact C-N 3.29Å; T247-E249 PolarHBondContact O-N 2.94Å |
| 248 | G | 88.2 | Confident | 93.2 | Very high | 35 Ų | 35 | 58.7 Ų | 58.7 | 36% | 0.361 | 33% | 0.326 | S | S | . | . | trans | 67.6 | 27.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D244 | D244-G248 PolarHBondContact O-N 3.36Å; D244-G248 VanDerWaalsContact O-N 3.14Å | ||
| 249 | E | 92.1 | Very high | 93.5 | Very high | 139 Ų | 139 | 53.7 Ų | 53.7 | 65% | 0.65 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 139.7 | -176 | -72.3 | -176.5 | 176.8 | 0 | 0 | 113 | Y243 T247 V251 | Y243-E249 WeakPolarHBondContact CE2-O 3.43Å; T247-E249 VanDerWaalsContact C-N 3.29Å; T247-E249 PolarHBondContact O-N 2.94Å; E249-V251 PolarHBondContact O-N 3.11Å |
| 250 | L | 94 | Very high | 94 | Very high | 78 Ų | 78 | 48.3 Ų | 48.3 | 41% | 0.408 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 122.5 | 178 | 178.5 | 67.2 | 0 | 0 | 0 | 111.3 | T186 M188 I252 | T186-L250 HydrophobicContact CG2-CD1 3.47Å; T186-L250 VanDerWaalsContact CG2-CD1 3.47Å; M188-L250 HydrophobicContact CB-CD1 4.14Å; M188-L250 HydrophobicContact CB-CD2 4.25Å; M188-L250 HydrophobicContact CB-CG 4.39Å; M188-L250 HydrophobicContact CE-CD2 4.28Å; L250-I252 HydrophobicContact CD2-CD1 4.31Å; L250-I252 HydrophobicContact CD2-CG1 4.11Å; L250-I252 HydrophobicContact CG-CG1 4.05Å |
| 251 | V | 95.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 120.9 | 173.2 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | L185 T186 V187 M188 L228 F241 Y243 E249 L253 | L185-V251 HydrophobicContact CD1-CG2 3.82Å; T186-V251 PolarHBondContact O-N 3.39Å; T186-V251 VanDerWaalsContact O-N 3.17Å; V187-V251 WeakPolarHBondContact CA-O 3.46Å; V187-V251 HydrophobicContact CG1-CB 4.38Å; V187-V251 HydrophobicContact CG1-CG1 4.36Å; V187-V251 HydrophobicContact CG2-CB 4.38Å; M188-V251 PolarHBondContact N-O 3.23Å; L228-V251 HydrophobicContact CD1-CG1 4.1Å; L228-V251 HydrophobicContact CD1-CG2 3.95Å; F241-V251 HydrophobicContact CD1-CG1 4.29Å; Y243-V251 HydrophobicContact CD2-CG2 3.6Å; Y243-V251 HydrophobicContact CE2-CG2 4.34Å; Y243-V251 HydrophobicContact CG-CG2 4.3Å; E249-V251 PolarHBondContact O-N 3.11Å; V251-L253 HydrophobicContact CG1-CD2 3.98Å; V251-L253 HydrophobicContact CG1-CG 4.42Å |
| 252 | I | 95.7 | Very high | 94.5 | Very high | 83 Ų | 83 | 44.4 Ų | 44.4 | 43% | 0.426 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 112.5 | -176.9 | -54.1 | -178.9 | 0 | 0 | 0 | 110.5 | M188 L250 Q254 | M188-I252 HydrophobicContact CE-CB 4.45Å; M188-I252 HydrophobicContact CE-CD1 3.9Å; M188-I252 HydrophobicContact CE-CG1 3.93Å; M188-I252 HydrophobicContact CE-CG2 3.8Å; M188-I252 CarbonylContact O-C 3.58Å; M188-I252 WeakPolarHBondContact O-CA 3.45Å; L250-I252 HydrophobicContact CD2-CD1 4.31Å; L250-I252 HydrophobicContact CD2-CG1 4.11Å; L250-I252 HydrophobicContact CG-CG1 4.05Å; I252-Q254 PolarHBondContact O-N 2.86Å |
| 253 | L | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 83.2 | 177.8 | -54.2 | -176.7 | 0 | 0 | 0 | 110.5 | V187 M188 S190 V193 I211 V230 F236 F241 V251 | V187-L253 HydrophobicContact CG1-CD1 3.74Å; V187-L253 HydrophobicContact CG1-CG 3.87Å; M188-L253 PolarHBondContact O-N 2.94Å; S190-L253 PolarHBondContact N-O 3.22Å; S190-L253 PolarHBondContact OG-O 2.94Å; V193-L253 HydrophobicContact CG2-CD1 3.83Å; I211-L253 HydrophobicContact CD1-CD1 4.34Å; V230-L253 HydrophobicContact CG2-CD1 4.05Å; V230-L253 HydrophobicContact CG2-CD2 3.94Å; F236-L253 HydrophobicContact CD1-CB 3.96Å; F236-L253 HydrophobicContact CE1-CB 3.87Å; F241-L253 HydrophobicContact CD1-CD2 3.75Å; F241-L253 HydrophobicContact CD2-CD2 4.02Å; F241-L253 HydrophobicContact CE1-CD2 3.51Å; F241-L253 HydrophobicContact CE2-CD2 3.81Å; F241-L253 HydrophobicContact CG-CD2 4Å; F241-L253 HydrophobicContact CZ-CD2 3.55Å; V251-L253 HydrophobicContact CG1-CD2 3.98Å; V251-L253 HydrophobicContact CG1-CG 4.42Å |
| 254 | Q | 95 | Very high | 94.6 | Very high | 82 Ų | 82 | 41.1 Ų | 41.1 | 38% | 0.383 | 22% | 0.219 | S | C | . | . | trans | -94.8 | 107.4 | 177.6 | -171.7 | 64 | 45.1 | 0 | 0 | 111.4 | F236 R237 I252 | F236-Q254 WeakPolarHBondContact CA-O 3.38Å; F236-Q254 VanDerWaalsContact CD1-C 3.49Å; R237-Q254 PolarHBondContact N-O 3.08Å; R237-Q254 VanDerWaalsContact N-O 3.08Å; I252-Q254 PolarHBondContact O-N 2.86Å | ||
| 255 | A | 95.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 7% | 0.066 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 138.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S190 H234 I235 F236 | S190-A255 PolarHBondContact OG-N 2.91Å; H234-A255 HydrophobicContact CB-CB 3.88Å; I235-A255 WeakPolarHBondContact O-CA 3.37Å; F236-A255 HydrophobicContact CD1-CB 4.32Å; F236-A255 HydrophobicContact CE1-CB 4.07Å |
| 256 | I | 95.3 | Very high | 94.6 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 35% | 0.349 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | -21.2 | 177.3 | 57.4 | 164.2 | 0 | 0 | 0 | 112.5 | I235 R237 | I235-I256 HydrophobicContact CG2-CD1 4.49Å; I235-I256 HydrophobicContact CG2-CG1 4.37Å; I235-I256 VanDerWaalsContact O-CG1 3.27Å; I235-I256 WeakPolarHBondContact O-CG1 3.04Å; I235-I256 PolarHBondContact O-N 2.84Å; R237-I256 HydrophobicContact CB-CG2 4.02Å |
| 257 | K | 96 | Very high | 94.6 | Very high | 70 Ų | 70 | 40.2 Ų | 40.2 | 30% | 0.304 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 150.5 | 174.1 | -58.5 | -177.5 | 176.3 | -172.6 | 0 | 110.1 | H234 I235 S311 | H234-K257 WeakPolarHBondContact CA-O 3.47Å; I235-K257 HydrophobicContact CB-CB 4.22Å; I235-K257 PolarHBondContact N-O 2.8Å; I235-K257 PolarHBondContact O-N 2.8Å; K257-S311 CarbonylContact C-O 3.6Å; K257-S311 VanDerWaalsContact CA-O 3.22Å; K257-S311 WeakPolarHBondContact CA-O 3.38Å; K257-S311 WeakPolarHBondContact CB-O 3.29Å |
| 258 | H | 97 | Very high | 94.3 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 145.7 | -179.2 | -47 | -98.2 | 0 | 0 | 0 | 109.5 | H191 H234 Y310 S311 D339 | H191-H258 AromaticContact CE1-CE1 3.43Å; H191-H258 PolarHBondContact CE1-CE1 3.28Å; H191-H258 VanDerWaalsContact CE1-CE1 3.43Å; H191-H258 AromaticContact NE2-CE1 3.42Å; H191-H258 PolarHBondContact NE2-CE1 3.11Å; H191-H258 AromaticContact NE2-ND1 3.81Å; H234-H258 AromaticContact CE1-ND1 3.44Å; H234-H258 PolarHBondContact CE1-ND1 3.19Å; H234-H258 AromaticContact ND1-CE1 3.9Å; H234-H258 AromaticContact ND1-CG 3.83Å; H234-H258 AromaticContact ND1-ND1 3.02Å; H234-H258 PolarHBondContact ND1-ND1 3.37Å; H258-Y310 WeakPolarHBondContact O-CA 3.13Å; H258-S311 PolarHBondContact N-O 3Å; H258-S311 PolarHBondContact O-N 2.82Å; H258-S311 VanDerWaalsContact O-N 3.14Å; H258-D339 IonicContact CE1-OD1 2.79Å; H258-D339 IonicContact NE2-OD1 3.58Å; H258-D339 PolarHBondContact NE2-OD1 3.49Å |
| 259 | G | 96.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 131 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | C233 H309 C341 Q342 | C233-G259 PolarHBondContact O-N 3.46Å; G259-H309 CarbonylContact C-O 3.49Å; G259-C341 CarbonylContact O-C 3.6Å; G259-C341 VanDerWaalsContact O-CA 3.31Å; G259-C341 WeakPolarHBondContact O-CA 3.19Å; G259-Q342 PolarHBondContact O-N 2.85Å |
| 260 | V | 96.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 110.4 | 168.7 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | H309 L317 I335 V337 Q342 L344 | V260-H309 PolarHBondContact N-O 2.96Å; V260-H309 PolarHBondContact O-N 2.81Å; V260-L317 HydrophobicContact CG2-CD1 4.44Å; V260-I335 HydrophobicContact CG1-CD1 4.03Å; V260-V337 HydrophobicContact CG2-CG1 4.27Å; V260-V337 HydrophobicContact CG2-CG2 4.11Å; V260-Q342 CarbonylContact C-O 3.55Å; V260-Q342 WeakPolarHBondContact CA-O 3.29Å; V260-L344 HydrophobicContact CG1-CD1 3.87Å; V260-L344 HydrophobicContact CG1-CD2 4.09Å; V260-L344 HydrophobicContact CG1-CG 3.99Å |
| 261 | Q | 96.7 | Very high | 92 | Very high | 55 Ų | 55 | 39.6 Ų | 39.6 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 131.6 | 178.3 | -172.8 | -176.8 | -53.8 | 0 | 0 | 110.5 | T306 F307 L308 Q342 I343 L344 | Q261-T306 HydrophobicContact CG-CG2 3.59Å; Q261-F307 VanDerWaalsContact CA-O 3.24Å; Q261-F307 WeakPolarHBondContact CA-O 3.33Å; Q261-F307 WeakPolarHBondContact CG-O 3.24Å; Q261-L308 HydrophobicContact CB-CD1 4.14Å; Q261-Q342 PolarHBondContact N-O 2.83Å; Q261-I343 HydrophobicContact CB-CG1 4.2Å; Q261-L344 WeakPolarHBondContact O-CG 3.39Å; Q261-L344 PolarHBondContact O-N 2.78Å |
| 262 | F | 96.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 158 | 176.6 | 62.2 | -88.1 | 0 | 0 | 0 | 110.8 | V264 V275 I277 F307 H309 I319 L344 F348 | F262-V264 HydrophobicContact CD2-CG2 4.44Å; F262-V264 HydrophobicContact CE2-CG2 4.37Å; F262-V275 HydrophobicContact CE2-CG1 3.8Å; F262-V275 HydrophobicContact CZ-CG1 3.83Å; F262-I277 HydrophobicContact CE1-CD1 4.06Å; F262-I277 HydrophobicContact CZ-CD1 4.02Å; F262-F307 HydrophobicContact CD1-CB 4.37Å; F262-F307 HydrophobicContact CD2-CB 4.26Å; F262-F307 HydrophobicContact CE1-CB 3.84Å; F262-F307 HydrophobicContact CE2-CB 3.69Å; F262-F307 AromaticContact CE2-CD2 3.91Å; F262-F307 HydrophobicContact CE2-CD2 3.91Å; F262-F307 HydrophobicContact CE2-CG 4.01Å; F262-F307 HydrophobicContact CZ-CB 3.46Å; F262-F307 VanDerWaalsContact CZ-CB 3.46Å; F262-F307 HydrophobicContact CZ-CD2 4.4Å; F262-F307 HydrophobicContact CZ-CG 4.03Å; F262-F307 PolarHBondContact N-O 3.23Å; F262-F307 VanDerWaalsContact N-O 3.1Å; F262-F307 PolarHBondContact O-N 3.21Å; F262-H309 HydrophobicContact CE1-CB 4.32Å; F262-I319 HydrophobicContact CD1-CD1 3.81Å; F262-I319 HydrophobicContact CD2-CG2 4.3Å; F262-I319 HydrophobicContact CE1-CD1 4.02Å; F262-I319 HydrophobicContact CE2-CG2 3.92Å; F262-I319 HydrophobicContact CG-CD1 4.19Å; F262-I319 HydrophobicContact CZ-CG2 4.03Å; F262-L344 HydrophobicContact CB-CB 4.12Å; F262-L344 HydrophobicContact CB-CD1 3.88Å; F262-L344 HydrophobicContact CB-CG 4.11Å; F262-F348 HydrophobicContact CD2-CD2 4.42Å; F262-F348 HydrophobicContact CD2-CE2 4.29Å |
| 263 | D | 95.8 | Very high | 91.3 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 16% | 0.16 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 144.3 | -172.1 | -70.6 | -26.5 | 0 | 0 | 0 | 112.4 | L304 Y305 T306 T347 F348 | D263-L304 HydrophobicContact CB-CD1 3.9Å; D263-Y305 CarbonylContact C-O 3.53Å; D263-Y305 WeakPolarHBondContact CA-O 3.31Å; D263-T306 WeakPolarHBondContact OD1-CA 3.49Å; D263-T306 VanDerWaalsContact OD1-CB 3.28Å; D263-T306 WeakPolarHBondContact OD1-CB 3.15Å; D263-T306 WeakPolarHBondContact OD1-CG2 3.48Å; D263-T306 PolarHBondContact OD1-OG1 3.09Å; D263-T347 HydrophobicContact CB-CG2 3.85Å; D263-F348 PolarHBondContact O-N 2.89Å |
| 264 | V | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 110.1 | 173.9 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | F262 L266 F273 V275 Y305 F307 V321 F348 | F262-V264 HydrophobicContact CD2-CG2 4.44Å; F262-V264 HydrophobicContact CE2-CG2 4.37Å; V264-L266 HydrophobicContact CG1-CD1 4.37Å; V264-L266 HydrophobicContact CG1-CD2 3.64Å; V264-L266 HydrophobicContact CG1-CG 3.95Å; V264-F273 HydrophobicContact CB-CE2 4.36Å; V264-F273 HydrophobicContact CG1-CD2 4.3Å; V264-F273 HydrophobicContact CG1-CE2 3.99Å; V264-V275 HydrophobicContact CG2-CG2 4.29Å; V264-Y305 PolarHBondContact N-O 3.41Å; V264-Y305 PolarHBondContact O-N 2.9Å; V264-F307 HydrophobicContact CB-CE2 4.35Å; V264-F307 HydrophobicContact CG2-CD2 4.05Å; V264-F307 HydrophobicContact CG2-CE2 3.94Å; V264-V321 HydrophobicContact CG1-CG1 4.13Å; V264-V321 HydrophobicContact CG2-CG2 4.09Å; V264-F348 CarbonylContact C-O 3.58Å; V264-F348 WeakPolarHBondContact CA-O 3.27Å; V264-F348 HydrophobicContact CB-CB 4.41Å; V264-F348 HydrophobicContact CG1-CB 4.19Å; V264-F348 HydrophobicContact CG2-CB 4.19Å; V264-F348 HydrophobicContact CG2-CD2 4.25Å |
| 265 | K | 94.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 39.5 Ų | 39.5 | 20% | 0.2 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 116.1 | 177.5 | -169.8 | 173.1 | -173.9 | 165.9 | 0 | 110.3 | D299 Y302 A303 L304 T347 F348 Y349 G350 | K265-D299 IonicContact NZ-OD2 2.74Å; K265-D299 PolarHBondContact NZ-OD2 3.06Å; K265-Y302 HydrophobicContact CD-CD1 4.47Å; K265-Y302 HydrophobicContact CG-CD1 4.16Å; K265-Y302 HydrophobicContact CG-CG 4.44Å; K265-A303 CarbonylContact C-O 3.38Å; K265-A303 WeakPolarHBondContact CA-O 3.47Å; K265-L304 HydrophobicContact CB-CD1 3.87Å; K265-L304 HydrophobicContact CG-CD1 4.37Å; K265-T347 HydrophobicContact CB-CG2 3.9Å; K265-F348 PolarHBondContact N-O 3.28Å; K265-Y349 HydrophobicContact CB-CD1 4.05Å; K265-Y349 HydrophobicContact CB-CE1 4.23Å; K265-Y349 HydrophobicContact CD-CD1 4.19Å; K265-Y349 HydrophobicContact CD-CE1 3.88Å; K265-Y349 HydrophobicContact CG-CD1 4.42Å; K265-Y349 CarbonylContact O-C 3.57Å; K265-Y349 VanDerWaalsContact O-CA 3.29Å; K265-Y349 WeakPolarHBondContact O-CA 3.24Å; K265-G350 PolarHBondContact O-N 2.82Å |
| 266 | L | 93.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 141.8 | -176.6 | -54.6 | -178.6 | 0 | 0 | 0 | 111.4 | V264 F273 Y302 A303 Y305 L326 I328 | V264-L266 HydrophobicContact CG1-CD1 4.37Å; V264-L266 HydrophobicContact CG1-CD2 3.64Å; V264-L266 HydrophobicContact CG1-CG 3.95Å; L266-F273 HydrophobicContact CD1-CB 4.26Å; L266-F273 HydrophobicContact CD1-CD1 3.19Å; L266-F273 HydrophobicContact CD1-CD2 4.26Å; L266-F273 HydrophobicContact CD1-CE1 3.41Å; L266-F273 VanDerWaalsContact CD1-CE1 3.41Å; L266-F273 HydrophobicContact CD1-CE2 4.42Å; L266-F273 HydrophobicContact CD1-CG 3.65Å; L266-F273 HydrophobicContact CD1-CZ 4.03Å; L266-Y302 CarbonylContact O-C 3.57Å; L266-Y302 VanDerWaalsContact O-CA 3.25Å; L266-Y302 WeakPolarHBondContact O-CA 3.49Å; L266-A303 PolarHBondContact N-O 3.23Å; L266-A303 PolarHBondContact O-N 2.98Å; L266-Y305 HydrophobicContact CD1-CD2 4.36Å; L266-Y305 HydrophobicContact CD1-CE2 4.06Å; L266-Y305 HydrophobicContact CG-CE2 4.43Å; L266-L326 HydrophobicContact CB-CD1 3.86Å; L266-L326 HydrophobicContact CD1-CD1 4.28Å; L266-L326 HydrophobicContact CD2-CD1 3.81Å; L266-L326 HydrophobicContact CG-CD1 4.19Å; L266-I328 HydrophobicContact CD2-CD1 4Å |
| 267 | E | 90.2 | Very high | 91.4 | Very high | 64 Ų | 64 | 36.7 Ų | 36.7 | 30% | 0.299 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 118.2 | 172.5 | -179.4 | 177.6 | -152 | 0 | 0 | 110.7 | N271 Y302 G350 T351 S352 | E267-N271 PolarHBondContact O-ND2 3.48Å; E267-Y302 HydrophobicContact CB-CD1 4.09Å; E267-Y302 HydrophobicContact CB-CE1 3.8Å; E267-Y302 HydrophobicContact CG-CE1 4.31Å; E267-G350 WeakPolarHBondContact CB-O 3.13Å; E267-G350 PolarHBondContact N-O 2.86Å; E267-T351 WeakPolarHBondContact OE2-CA 3.08Å; E267-S352 PolarHBondContact OE2-N 2.81Å |
| 268 | G | 84.6 | Confident | 91.4 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 97.9 | 165.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N271 T301 | G268-N271 PolarHBondContact O-ND2 3.43Å; G268-T301 PolarHBondContact N-O 2.81Å |
| 269 | K | 71 | Confident | 91.3 | Very high | 121 Ų | 121 | 36.7 Ų | 36.7 | 53% | 0.526 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -101.8 | -13.9 | -168.8 | -66.4 | -173.5 | 179 | -176.4 | 0 | 115.4 | ||
| 270 | N | 73.6 | Confident | 91.1 | Very high | 143 Ų | 143 | 40.4 Ų | 40.4 | 77% | 0.765 | 23% | 0.229 | S | C | * | . | trans | -130.1 | 26.8 | -169.7 | -73.1 | 2.3 | 0 | 0 | 0 | 113.4 | ||||
| 271 | N | 80.2 | Confident | 90.7 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 10% | 0.102 | 25% | 0.251 | C | S | . | . | trans | -78.1 | 130.1 | -179.7 | -51.9 | -62.7 | 0 | 0 | 0 | 110 | E267 G268 L326 | E267-N271 PolarHBondContact O-ND2 3.48Å; G268-N271 PolarHBondContact O-ND2 3.43Å; N271-L326 HydrophobicContact CB-CD1 3.66Å; N271-L326 HydrophobicContact CB-CG 4.15Å | ||
| 272 | V | 85.3 | Confident | 90.2 | Very high | 104 Ų | 104 | 47.7 Ų | 47.7 | 63% | 0.63 | 26% | 0.261 | S | S | * | . | trans | -80.1 | 126.9 | 172 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | S323 | V272-S323 PolarHBondContact O-OG 3.45Š| ||
| 273 | F | 92 | Very high | 89.6 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 154 | 175.8 | 74.3 | -78.4 | 0 | 0 | 0 | 111.1 | V264 L266 V275 Q290 Y305 F307 V321 K322 | V264-F273 HydrophobicContact CB-CE2 4.36Å; V264-F273 HydrophobicContact CG1-CD2 4.3Å; V264-F273 HydrophobicContact CG1-CE2 3.99Å; L266-F273 HydrophobicContact CD1-CB 4.26Å; L266-F273 HydrophobicContact CD1-CD1 3.19Å; L266-F273 HydrophobicContact CD1-CD2 4.26Å; L266-F273 HydrophobicContact CD1-CE1 3.41Å; L266-F273 VanDerWaalsContact CD1-CE1 3.41Å; L266-F273 HydrophobicContact CD1-CE2 4.42Å; L266-F273 HydrophobicContact CD1-CG 3.65Å; L266-F273 HydrophobicContact CD1-CZ 4.03Å; F273-V275 HydrophobicContact CD2-CG2 4.14Å; F273-V275 HydrophobicContact CE2-CG2 3.94Å; F273-Q290 HydrophobicContact CE1-CB 4.17Å; F273-Q290 HydrophobicContact CE1-CG 4.17Å; F273-Y305 AromaticContact CE1-CD2 3.94Å; F273-Y305 HydrophobicContact CE1-CD2 3.94Å; F273-Y305 AromaticContact CE1-CE2 3.79Å; F273-Y305 HydrophobicContact CE1-CE2 3.79Å; F273-Y305 HydrophobicContact CE1-CG 4.34Å; F273-Y305 HydrophobicContact CZ-CD1 4.31Å; F273-Y305 AromaticContact CZ-CD2 3.73Å; F273-Y305 HydrophobicContact CZ-CD2 3.73Å; F273-Y305 HydrophobicContact CZ-CE2 4.08Å; F273-Y305 AromaticContact CZ-CG 3.84Å; F273-Y305 HydrophobicContact CZ-CG 3.84Å; F273-F307 AromaticContact CE2-CE2 3.96Å; F273-F307 HydrophobicContact CE2-CE2 3.96Å; F273-F307 AromaticContact CE2-CZ 3.93Å; F273-F307 HydrophobicContact CE2-CZ 3.93Å; F273-F307 HydrophobicContact CZ-CE2 4.21Å; F273-F307 HydrophobicContact CZ-CZ 4.08Å; F273-V321 HydrophobicContact CD2-CG1 4.07Å; F273-K322 CarbonylContact C-O 3.5Å; F273-K322 WeakPolarHBondContact CA-O 3.49Å; F273-K322 VanDerWaalsContact CB-O 3.32Å; F273-K322 WeakPolarHBondContact CB-O 3.34Å |
| 274 | E | 94.2 | Very high | 89.3 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 29% | 0.285 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.9 | 172.7 | 62.6 | 176.8 | -151.4 | 0 | 0 | 109.7 | V276 I287 V321 K322 | E274-V276 HydrophobicContact CG-CG2 4.26Å; E274-I287 HydrophobicContact CB-CG2 4.25Å; E274-V321 WeakPolarHBondContact O-CA 3.32Å; E274-K322 HydrophobicContact CG-CB 3.84Å; E274-K322 HydrophobicContact CG-CD 3.98Å; E274-K322 PolarHBondContact N-O 2.86Å; E274-K322 PolarHBondContact O-N 3.41Å; E274-K322 WeakPolarHBondContact OE1-CD 3.19Å; E274-K322 IonicContact OE1-NZ 3.38Å; E274-K322 PolarHBondContact OE1-NZ 3.07Å |
| 275 | V | 96.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 117.1 | 170.9 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | F262 V264 F273 I277 I287 L288 F307 I319 L320 V321 | F262-V275 HydrophobicContact CE2-CG1 3.8Å; F262-V275 HydrophobicContact CZ-CG1 3.83Å; V264-V275 HydrophobicContact CG2-CG2 4.29Å; F273-V275 HydrophobicContact CD2-CG2 4.14Å; F273-V275 HydrophobicContact CE2-CG2 3.94Å; V275-I277 HydrophobicContact CG1-CG1 4.19Å; V275-I287 CarbonylContact O-C 3.54Å; V275-I287 WeakPolarHBondContact O-CA 3.28Å; V275-L288 HydrophobicContact CB-CB 4.22Å; V275-L288 PolarHBondContact N-O 2.83Å; V275-L288 PolarHBondContact O-N 2.83Å; V275-F307 HydrophobicContact CG2-CD2 4.47Å; V275-F307 HydrophobicContact CG2-CE2 4.02Å; V275-F307 HydrophobicContact CG2-CZ 4.09Å; V275-I319 HydrophobicContact CG1-CG2 3.74Å; V275-L320 CarbonylContact C-O 3.53Å; V275-V321 HydrophobicContact CG1-CG2 4.31Å; V275-V321 HydrophobicContact CG2-CG2 4.15Å |
| 276 | V | 96.9 | Very high | 89.3 | Confident | 13 Ų | 13 | 61 Ų | 61 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 115.3 | 179.8 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | E274 P285 V286 L320 K322 | E274-V276 HydrophobicContact CG-CG2 4.26Å; V276-P285 HydrophobicContact CG1-CB 3.83Å; V276-V286 WeakPolarHBondContact CA-O 3.23Å; V276-L320 HydrophobicContact CB-CB 4.4Å; V276-L320 PolarHBondContact N-O 2.89Å; V276-L320 PolarHBondContact O-N 3.43Å; V276-K322 HydrophobicContact CG2-CD 4.22Å |
| 277 | I | 96.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.015 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 112.4 | 178.6 | -53.5 | 176.8 | 0 | 0 | 0 | 108.2 | F262 V275 P285 V286 L288 H309 L317 I319 | F262-I277 HydrophobicContact CE1-CD1 4.06Å; F262-I277 HydrophobicContact CZ-CD1 4.02Å; V275-I277 HydrophobicContact CG1-CG1 4.19Å; I277-P285 CarbonylContact O-C 3.52Å; I277-P285 WeakPolarHBondContact O-CA 3.43Å; I277-V286 HydrophobicContact CB-CB 4.4Å; I277-V286 PolarHBondContact N-O 2.98Å; I277-V286 PolarHBondContact O-N 3.12Å; I277-L288 HydrophobicContact CD1-CD1 3.8Å; I277-H309 HydrophobicContact CD1-CB 3.68Å; I277-L317 HydrophobicContact CG2-CB 4.38Å; I277-L317 HydrophobicContact CG2-CD1 4.39Å; I277-L317 HydrophobicContact CG2-CD2 4.2Å; I277-I319 HydrophobicContact CG1-CG1 4.4Å; I277-I319 HydrophobicContact CG1-CG2 4.42Å; I277-I319 HydrophobicContact CG2-CG1 4.45Å |
| 278 | S | 95.8 | Very high | 89.7 | Confident | 50 Ų | 50 | 62.9 Ų | 62.9 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 132.7 | 174.6 | -54.5 | 0 | 0 | 0 | 0 | 109.9 | L317 N318 | S278-L317 CarbonylContact O-C 3.5Å; S278-L317 VanDerWaalsContact O-CA 3.31Å; S278-L317 WeakPolarHBondContact O-CA 3.46Å; S278-N318 PolarHBondContact N-O 2.87Å; S278-N318 PolarHBondContact O-N 2.8Å |
| 279 | S | 94.4 | Very high | 90.1 | Very high | 22 Ų | 22 | 65.3 Ų | 65.3 | 15% | 0.154 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 142.6 | 179.5 | 160.9 | 0 | 0 | 0 | 0 | 110.1 | K281 H282 D315 | S279-K281 VanDerWaalsContact C-N 3.25Å; S279-K281 PolarHBondContact O-N 2.82Å; S279-K281 PolarHBondContact OG-N 2.86Å; S279-H282 PolarHBondContact OG-N 2.8Å; S279-H282 VanDerWaalsContact OG-N 3.1Å; S279-D315 WeakPolarHBondContact CB-OD2 3.38Å; S279-D315 PolarHBondContact OG-OD1 2.69Å; S279-D315 VanDerWaalsContact OG-OD1 3.07Å; S279-D315 PolarHBondContact OG-OD2 2.88Å |
| 280 | A | 91.5 | Very high | 91 | Very high | 79 Ų | 79 | 63 Ų | 63 | 65% | 0.653 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -70.2 | -25 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | D315 D316 | A280-D315 PolarHBondContact N-OD1 3.08Å; A280-D316 HydrophobicContact CB-CB 4Å; A280-D316 PolarHBondContact N-O 3.11Å |
| 281 | K | 89.3 | Confident | 91.9 | Very high | 110 Ų | 110 | 63.3 Ų | 63.3 | 48% | 0.478 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -90.7 | -19 | 179.4 | -68 | 178.8 | -174.8 | 173.8 | 0 | 114 | S279 P313 N314 D315 | S279-K281 VanDerWaalsContact C-N 3.25Å; S279-K281 PolarHBondContact O-N 2.82Å; S279-K281 PolarHBondContact OG-N 2.86Å; K281-P313 PolarHBondContact NZ-O 2.9Å; K281-N314 VanDerWaalsContact CE-O 3.3Å; K281-N314 WeakPolarHBondContact CE-O 3.49Å; K281-N314 PolarHBondContact NZ-O 2.86Å; K281-N314 VanDerWaalsContact NZ-O 3.13Å; K281-D315 HydrophobicContact CD-CB 3.97Å; K281-D315 WeakPolarHBondContact CG-OD1 3.07Å; K281-D315 PolarHBondContact N-OD1 2.83Å |
| 282 | H | 87.1 | Confident | 92.5 | Very high | 99 Ų | 99 | 66.1 Ų | 66.1 | 46% | 0.458 | 37% | 0.373 | S | S | . | . | trans | -121.8 | 129.8 | -178.2 | -63.2 | -71.2 | 0 | 0 | 0 | 112 | S279 | S279-H282 PolarHBondContact OG-N 2.8Å; S279-H282 VanDerWaalsContact OG-N 3.1Å | ||
| 283 | V | 83 | Confident | 92.9 | Very high | 156 Ų | 156 | 62.1 Ų | 62.1 | 95% | 0.945 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -71 | -38.3 | -174.7 | -178 | 0 | 0 | 0 | 0 | 112.6 | ||
| 284 | A | 90.7 | Very high | 93 | Very high | 72 Ų | 72 | 66.4 Ų | 66.4 | 60% | 0.595 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -87.9 | 129 | -179 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 285 | P | 94 | Very high | 93 | Very high | 66 Ų | 66 | 67.8 Ų | 67.8 | 43% | 0.429 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -70 | 147.5 | 173.1 | 30.4 | -33.9 | 0 | 0 | 0 | 110.4 | V276 I277 | V276-P285 HydrophobicContact CG1-CB 3.83Å; I277-P285 CarbonylContact O-C 3.52Å; I277-P285 WeakPolarHBondContact O-CA 3.43Å |
| 286 | V | 95 | Very high | 92.8 | Very high | 61 Ų | 61 | 71.5 Ų | 71.5 | 37% | 0.37 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127 | 170.8 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | V276 I277 L288 | V276-V286 WeakPolarHBondContact CA-O 3.23Å; I277-V286 HydrophobicContact CB-CB 4.4Å; I277-V286 PolarHBondContact N-O 2.98Å; I277-V286 PolarHBondContact O-N 3.12Å; V286-L288 HydrophobicContact CG1-CD2 3.83Å; V286-L288 HydrophobicContact CG1-CG 4.27Å |
| 287 | I | 95.9 | Very high | 92.6 | Very high | 81 Ų | 81 | 73.8 Ų | 73.8 | 42% | 0.415 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120.3 | 178.9 | -55.5 | 175.5 | 0 | 0 | 0 | 107.3 | E274 V275 | E274-I287 HydrophobicContact CB-CG2 4.25Å; V275-I287 CarbonylContact O-C 3.54Å; V275-I287 WeakPolarHBondContact O-CA 3.28Å |
| 288 | L | 95.4 | Very high | 92.2 | Very high | 25 Ų | 25 | 78 Ų | 78 | 13% | 0.131 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.3 | 176.8 | -52.3 | 175.2 | 0 | 0 | 0 | 109.6 | V275 I277 V286 D292 F307 | V275-L288 HydrophobicContact CB-CB 4.22Å; V275-L288 PolarHBondContact N-O 2.83Å; V275-L288 PolarHBondContact O-N 2.83Å; I277-L288 HydrophobicContact CD1-CD1 3.8Å; V286-L288 HydrophobicContact CG1-CD2 3.83Å; V286-L288 HydrophobicContact CG1-CG 4.27Å; L288-D292 WeakPolarHBondContact CA-OD2 3.22Å; L288-D292 HydrophobicContact CB-CB 4.06Å; L288-D292 HydrophobicContact CD2-CB 4.1Å; L288-F307 HydrophobicContact CB-CD1 4.2Å; L288-F307 HydrophobicContact CB-CE1 3.98Å; L288-F307 HydrophobicContact CD1-CD1 3.8Å; L288-F307 HydrophobicContact CD1-CE1 4.43Å; L288-F307 HydrophobicContact CD1-CG 4.46Å |
| 289 | H | 93.7 | Very high | 91.6 | Very high | 78 Ų | 78 | 80.2 Ų | 80.2 | 36% | 0.361 | 45% | 0.445 | S | S | . | . | trans | -108.4 | 179.7 | 176.4 | -58.7 | 87.4 | 0 | 0 | 0 | 110.4 | E291 D292 F307 | H289-E291 VanDerWaalsContact CB-CD 3.44Å; H289-E291 HydrophobicContact CB-CG 4.29Å; H289-E291 VanDerWaalsContact CB-OE2 3.31Å; H289-E291 WeakPolarHBondContact CB-OE2 3.2Å; H289-E291 PolarHBondContact O-N 3.35Å; H289-D292 PolarHBondContact N-OD2 2.88Å; H289-D292 IonicContact ND1-OD2 2.67Å; H289-D292 PolarHBondContact O-N 3.43Å; H289-D292 VanDerWaalsContact O-N 3.09Å; H289-F307 WeakPolarHBondContact O-CE1 3.19Å | ||
| 290 | Q | 90.4 | Very high | 91.2 | Very high | 72 Ų | 72 | 82.1 Ų | 82.1 | 34% | 0.336 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -56.9 | -38.5 | -179.3 | -171.1 | -178.7 | -30.2 | 0 | 0 | 112.6 | F273 D292 A293 Y305 | F273-Q290 HydrophobicContact CE1-CB 4.17Å; F273-Q290 HydrophobicContact CE1-CG 4.17Å; Q290-D292 VanDerWaalsContact C-N 3.25Å; Q290-D292 PolarHBondContact O-N 2.73Å; Q290-A293 WeakPolarHBondContact O-CB 3.1Å; Q290-A293 PolarHBondContact O-N 2.88Å; Q290-Y305 HydrophobicContact CG-CD1 3.94Å; Q290-Y305 HydrophobicContact CG-CE1 3.23Å; Q290-Y305 PolarHBondContact NE2-OH 2.73Å |
| 291 | E | 91.1 | Very high | 91.1 | Very high | 150 Ų | 150 | 82.9 Ų | 82.9 | 70% | 0.701 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -67.8 | -19.4 | 179.2 | 58.8 | -93.2 | -147.7 | 0 | 0 | 114.5 | H289 A293 | H289-E291 VanDerWaalsContact CB-CD 3.44Å; H289-E291 HydrophobicContact CB-CG 4.29Å; H289-E291 VanDerWaalsContact CB-OE2 3.31Å; H289-E291 WeakPolarHBondContact CB-OE2 3.2Å; H289-E291 PolarHBondContact O-N 3.35Å; E291-A293 VanDerWaalsContact C-N 3.27Å; E291-A293 PolarHBondContact O-N 2.82Å |
| 292 | D | 94.4 | Very high | 91.1 | Very high | 77 Ų | 77 | 81.1 Ų | 81.1 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -83.8 | -4.7 | 179.5 | -61.4 | -51.8 | 0 | 0 | 0 | 112.5 | L288 H289 Q290 F307 | L288-D292 WeakPolarHBondContact CA-OD2 3.22Å; L288-D292 HydrophobicContact CB-CB 4.06Å; L288-D292 HydrophobicContact CD2-CB 4.1Å; H289-D292 PolarHBondContact N-OD2 2.88Å; H289-D292 IonicContact ND1-OD2 2.67Å; H289-D292 PolarHBondContact O-N 3.43Å; H289-D292 VanDerWaalsContact O-N 3.09Å; Q290-D292 VanDerWaalsContact C-N 3.25Å; Q290-D292 PolarHBondContact O-N 2.73Å; D292-F307 HydrophobicContact CB-CE1 4.27Å |
| 293 | A | 93.7 | Very high | 91.4 | Very high | 21 Ų | 21 | 76.4 Ų | 76.4 | 17% | 0.174 | 43% | 0.434 | C | S | . | . | trans | -67.5 | 132.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q290 E291 N295 Y305 T306 F307 | Q290-A293 WeakPolarHBondContact O-CB 3.1Å; Q290-A293 PolarHBondContact O-N 2.88Å; E291-A293 VanDerWaalsContact C-N 3.27Å; E291-A293 PolarHBondContact O-N 2.82Å; A293-N295 PolarHBondContact O-N 2.82Å; A293-Y305 HydrophobicContact CB-CD1 4.11Å; A293-T306 CarbonylContact C-O 3.45Å; A293-T306 WeakPolarHBondContact CA-O 3.09Å; A293-F307 HydrophobicContact CB-CD1 4.32Å; A293-F307 HydrophobicContact CB-CE1 3.94Å; A293-F307 HydrophobicContact CB-CE2 4.36Å; A293-F307 HydrophobicContact CB-CZ 3.96Å | ||
| 294 | I | 94.5 | Very high | 91.9 | Very high | 99 Ų | 99 | 71.1 Ų | 71.1 | 51% | 0.508 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -72.8 | -20.9 | 177.7 | 59.2 | 159.3 | 0 | 0 | 0 | 112.3 | T306 L308 | I294-T306 HydrophobicContact CD1-CG2 4Å; I294-T306 HydrophobicContact CG1-CG2 3.97Å; I294-T306 WeakPolarHBondContact CG1-O 3.27Å; I294-T306 PolarHBondContact N-O 3.04Å; I294-L308 HydrophobicContact CD1-CB 3.97Å; I294-L308 HydrophobicContact CG1-CB 4.43Å; I294-L308 HydrophobicContact CG2-CB 4.05Å |
| 295 | N | 93.6 | Very high | 92.1 | Very high | 90 Ų | 90 | 67.9 Ų | 67.9 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 147.5 | 176.3 | -166.6 | 14.3 | 0 | 0 | 0 | 110.8 | A293 T306 | A293-N295 PolarHBondContact O-N 2.82Å; N295-T306 PolarHBondContact O-N 2.93Å |
| 296 | M | 91.3 | Very high | 92.2 | Very high | 77 Ų | 77 | 65.5 Ų | 65.5 | 38% | 0.379 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 125.5 | 173.1 | -179.4 | -165.2 | 177.2 | 0 | 0 | 109.2 | I298 A303 L304 Y305 | M296-I298 HydrophobicContact CE-CG1 4.27Å; M296-A303 HydrophobicContact CE-CB 3.9Å; M296-L304 CarbonylContact C-O 3.57Å; M296-L304 WeakPolarHBondContact CA-O 3.4Å; M296-Y305 HydrophobicContact CB-CD1 4.11Å; M296-Y305 HydrophobicContact CB-CE1 4.19Å; M296-Y305 HydrophobicContact CE-CE1 3.9Å; M296-Y305 WeakPolarHBondContact CE-OH 3.12Å; M296-Y305 HydrophobicContact CG-CD1 3.85Å; M296-Y305 HydrophobicContact CG-CE1 3.54Å; M296-Y305 HydrophobicContact SD-CD1 4.44Å; M296-Y305 HydrophobicContact SD-CE1 3.6Å |
| 297 | T | 92.2 | Very high | 92.3 | Very high | 61 Ų | 61 | 62.6 Ų | 62.6 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 149.4 | 174.9 | 59.7 | 0 | 0 | 0 | 0 | 110.9 | L304 | T297-L304 PolarHBondContact N-O 3.47Å; T297-L304 PolarHBondContact O-N 2.83Å |
| 298 | I | 89.3 | Confident | 92.3 | Very high | 92 Ų | 92 | 60.9 Ų | 60.9 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120.9 | 179.4 | -59.3 | 174.2 | 0 | 0 | 0 | 108.2 | M296 Y302 | M296-I298 HydrophobicContact CE-CG1 4.27Å; I298-Y302 WeakPolarHBondContact CA-O 3.23Å |
| 299 | D | 83.4 | Confident | 92.3 | Very high | 97 Ų | 97 | 61 Ų | 61 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 89 | 178.2 | 176.6 | 29.2 | 0 | 0 | 0 | 108.7 | K265 T301 Y302 | K265-D299 IonicContact NZ-OD2 2.74Å; K265-D299 PolarHBondContact NZ-OD2 3.06Å; D299-T301 PolarHBondContact O-N 2.82Å; D299-T301 VanDerWaalsContact O-N 3.11Å; D299-Y302 PolarHBondContact N-O 2.77Å; D299-Y302 PolarHBondContact O-N 3.15Å |
| 300 | G | 86.6 | Confident | 92.4 | Very high | 62 Ų | 62 | 60.6 Ų | 60.6 | 64% | 0.639 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | -111.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 301 | T | 87.5 | Confident | 92.7 | Very high | 94 Ų | 94 | 57.2 Ų | 57.2 | 58% | 0.577 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -6.8 | 177.8 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | G268 D299 | G268-T301 PolarHBondContact N-O 2.81Å; D299-T301 PolarHBondContact O-N 2.82Å; D299-T301 VanDerWaalsContact O-N 3.11Å |
| 302 | Y | 91 | Very high | 92.8 | Very high | 74 Ų | 74 | 51.1 Ų | 51.1 | 29% | 0.29 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 146.2 | -177.4 | -65.2 | -92.3 | 0 | 0 | 0 | 112 | K265 L266 E267 I298 D299 | K265-Y302 HydrophobicContact CD-CD1 4.47Å; K265-Y302 HydrophobicContact CG-CD1 4.16Å; K265-Y302 HydrophobicContact CG-CG 4.44Å; L266-Y302 CarbonylContact O-C 3.57Å; L266-Y302 VanDerWaalsContact O-CA 3.25Å; L266-Y302 WeakPolarHBondContact O-CA 3.49Å; E267-Y302 HydrophobicContact CB-CD1 4.09Å; E267-Y302 HydrophobicContact CB-CE1 3.8Å; E267-Y302 HydrophobicContact CG-CE1 4.31Å; I298-Y302 WeakPolarHBondContact CA-O 3.23Å; D299-Y302 PolarHBondContact N-O 2.77Å; D299-Y302 PolarHBondContact O-N 3.15Å |
| 303 | A | 92.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | K265 L266 M296 Y305 | K265-A303 CarbonylContact C-O 3.38Å; K265-A303 WeakPolarHBondContact CA-O 3.47Å; L266-A303 PolarHBondContact N-O 3.23Å; L266-A303 PolarHBondContact O-N 2.98Å; M296-A303 HydrophobicContact CE-CB 3.9Å; A303-Y305 HydrophobicContact CB-CE2 3.69Å |
| 304 | L | 93.9 | Very high | 92.9 | Very high | 44 Ų | 44 | 53.3 Ų | 53.3 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 119.4 | 177.5 | 178.9 | 71.3 | 0 | 0 | 0 | 109.4 | D263 K265 M296 T297 T347 | D263-L304 HydrophobicContact CB-CD1 3.9Å; K265-L304 HydrophobicContact CB-CD1 3.87Å; K265-L304 HydrophobicContact CG-CD1 4.37Å; M296-L304 CarbonylContact C-O 3.57Å; M296-L304 WeakPolarHBondContact CA-O 3.4Å; T297-L304 PolarHBondContact N-O 3.47Å; T297-L304 PolarHBondContact O-N 2.83Å; L304-T347 HydrophobicContact CD1-CG2 4.37Å |
| 305 | Y | 95 | Very high | 92.9 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127.6 | 177 | -59.3 | -87.5 | 0 | 0 | 0 | 109.9 | D263 V264 L266 F273 Q290 A293 M296 A303 | D263-Y305 CarbonylContact C-O 3.53Å; D263-Y305 WeakPolarHBondContact CA-O 3.31Å; V264-Y305 PolarHBondContact N-O 3.41Å; V264-Y305 PolarHBondContact O-N 2.9Å; L266-Y305 HydrophobicContact CD1-CD2 4.36Å; L266-Y305 HydrophobicContact CD1-CE2 4.06Å; L266-Y305 HydrophobicContact CG-CE2 4.43Å; F273-Y305 AromaticContact CE1-CD2 3.94Å; F273-Y305 HydrophobicContact CE1-CD2 3.94Å; F273-Y305 AromaticContact CE1-CE2 3.79Å; F273-Y305 HydrophobicContact CE1-CE2 3.79Å; F273-Y305 HydrophobicContact CE1-CG 4.34Å; F273-Y305 HydrophobicContact CZ-CD1 4.31Å; F273-Y305 AromaticContact CZ-CD2 3.73Å; F273-Y305 HydrophobicContact CZ-CD2 3.73Å; F273-Y305 HydrophobicContact CZ-CE2 4.08Å; F273-Y305 AromaticContact CZ-CG 3.84Å; F273-Y305 HydrophobicContact CZ-CG 3.84Å; Q290-Y305 HydrophobicContact CG-CD1 3.94Å; Q290-Y305 HydrophobicContact CG-CE1 3.23Å; Q290-Y305 PolarHBondContact NE2-OH 2.73Å; A293-Y305 HydrophobicContact CB-CD1 4.11Å; M296-Y305 HydrophobicContact CB-CD1 4.11Å; M296-Y305 HydrophobicContact CB-CE1 4.19Å; M296-Y305 HydrophobicContact CE-CE1 3.9Å; M296-Y305 WeakPolarHBondContact CE-OH 3.12Å; M296-Y305 HydrophobicContact CG-CD1 3.85Å; M296-Y305 HydrophobicContact CG-CE1 3.54Å; M296-Y305 HydrophobicContact SD-CD1 4.44Å; M296-Y305 HydrophobicContact SD-CE1 3.6Å; A303-Y305 HydrophobicContact CB-CE2 3.69Å |
| 306 | T | 96.1 | Very high | 93 | Very high | 16 Ų | 16 | 48.7 Ų | 48.7 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.6 | 175.6 | -60.5 | 0 | 0 | 0 | 0 | 109.3 | Q261 D263 A293 I294 N295 | Q261-T306 HydrophobicContact CG-CG2 3.59Å; D263-T306 WeakPolarHBondContact OD1-CA 3.49Å; D263-T306 VanDerWaalsContact OD1-CB 3.28Å; D263-T306 WeakPolarHBondContact OD1-CB 3.15Å; D263-T306 WeakPolarHBondContact OD1-CG2 3.48Å; D263-T306 PolarHBondContact OD1-OG1 3.09Å; A293-T306 CarbonylContact C-O 3.45Å; A293-T306 WeakPolarHBondContact CA-O 3.09Å; I294-T306 HydrophobicContact CD1-CG2 4Å; I294-T306 HydrophobicContact CG1-CG2 3.97Å; I294-T306 WeakPolarHBondContact CG1-O 3.27Å; I294-T306 PolarHBondContact N-O 3.04Å; N295-T306 PolarHBondContact O-N 2.93Å |
| 307 | F | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 149.8 | 177.7 | -69.6 | -86.8 | 0 | 0 | 0 | 110.8 | Q261 F262 V264 F273 V275 L288 H289 D292 A293 | Q261-F307 VanDerWaalsContact CA-O 3.24Å; Q261-F307 WeakPolarHBondContact CA-O 3.33Å; Q261-F307 WeakPolarHBondContact CG-O 3.24Å; F262-F307 HydrophobicContact CD1-CB 4.37Å; F262-F307 HydrophobicContact CD2-CB 4.26Å; F262-F307 HydrophobicContact CE1-CB 3.84Å; F262-F307 HydrophobicContact CE2-CB 3.69Å; F262-F307 AromaticContact CE2-CD2 3.91Å; F262-F307 HydrophobicContact CE2-CD2 3.91Å; F262-F307 HydrophobicContact CE2-CG 4.01Å; F262-F307 HydrophobicContact CZ-CB 3.46Å; F262-F307 VanDerWaalsContact CZ-CB 3.46Å; F262-F307 HydrophobicContact CZ-CD2 4.4Å; F262-F307 HydrophobicContact CZ-CG 4.03Å; F262-F307 PolarHBondContact N-O 3.23Å; F262-F307 VanDerWaalsContact N-O 3.1Å; F262-F307 PolarHBondContact O-N 3.21Å; V264-F307 HydrophobicContact CB-CE2 4.35Å; V264-F307 HydrophobicContact CG2-CD2 4.05Å; V264-F307 HydrophobicContact CG2-CE2 3.94Å; F273-F307 AromaticContact CE2-CE2 3.96Å; F273-F307 HydrophobicContact CE2-CE2 3.96Å; F273-F307 AromaticContact CE2-CZ 3.93Å; F273-F307 HydrophobicContact CE2-CZ 3.93Å; F273-F307 HydrophobicContact CZ-CE2 4.21Å; F273-F307 HydrophobicContact CZ-CZ 4.08Å; V275-F307 HydrophobicContact CG2-CD2 4.47Å; V275-F307 HydrophobicContact CG2-CE2 4.02Å; V275-F307 HydrophobicContact CG2-CZ 4.09Å; L288-F307 HydrophobicContact CB-CD1 4.2Å; L288-F307 HydrophobicContact CB-CE1 3.98Å; L288-F307 HydrophobicContact CD1-CD1 3.8Å; L288-F307 HydrophobicContact CD1-CE1 4.43Å; L288-F307 HydrophobicContact CD1-CG 4.46Å; H289-F307 WeakPolarHBondContact O-CE1 3.19Å; D292-F307 HydrophobicContact CB-CE1 4.27Å; A293-F307 HydrophobicContact CB-CD1 4.32Å; A293-F307 HydrophobicContact CB-CE1 3.94Å; A293-F307 HydrophobicContact CB-CE2 4.36Å; A293-F307 HydrophobicContact CB-CZ 3.96Å |
| 308 | L | 96 | Very high | 93.4 | Very high | 45 Ų | 45 | 44.6 Ų | 44.6 | 24% | 0.236 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 108.1 | 174.6 | -179.5 | 63.8 | 0 | 0 | 0 | 109.6 | Q261 I294 Y310 | Q261-L308 HydrophobicContact CB-CD1 4.14Å; I294-L308 HydrophobicContact CD1-CB 3.97Å; I294-L308 HydrophobicContact CG1-CB 4.43Å; I294-L308 HydrophobicContact CG2-CB 4.05Å; L308-Y310 HydrophobicContact CD2-CE2 4.11Å; L308-Y310 WeakPolarHBondContact CD2-OH 3.33Å; L308-Y310 HydrophobicContact CG-CE2 4.1Å |
| 309 | H | 95.9 | Very high | 93.8 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 13% | 0.125 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133.6 | -179.7 | -179.2 | 74.8 | 0 | 0 | 0 | 111.3 | G259 V260 F262 I277 | G259-H309 CarbonylContact C-O 3.49Å; V260-H309 PolarHBondContact N-O 2.96Å; V260-H309 PolarHBondContact O-N 2.81Å; F262-H309 HydrophobicContact CE1-CB 4.32Å; I277-H309 HydrophobicContact CD1-CB 3.68Å |
| 310 | Y | 95.6 | Very high | 94.4 | Very high | 70 Ų | 70 | 38.1 Ų | 38.1 | 28% | 0.275 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.9 | -179.3 | -65.7 | -88.6 | 0 | 0 | 0 | 111.8 | C233 I235 H258 L308 | C233-Y310 VanDerWaalsContact O-CE1 3.23Å; C233-Y310 WeakPolarHBondContact O-CE1 3.37Å; I235-Y310 HydrophobicContact CD1-CD1 4.01Å; I235-Y310 HydrophobicContact CD1-CD2 3.99Å; I235-Y310 HydrophobicContact CD1-CE1 4.49Å; I235-Y310 HydrophobicContact CD1-CG 3.7Å; I235-Y310 HydrophobicContact CG1-CD1 3.68Å; I235-Y310 HydrophobicContact CG1-CD2 4.46Å; I235-Y310 HydrophobicContact CG1-CE1 3.95Å; I235-Y310 HydrophobicContact CG1-CG 3.94Å; H258-Y310 WeakPolarHBondContact O-CA 3.13Å; L308-Y310 HydrophobicContact CD2-CE2 4.11Å; L308-Y310 WeakPolarHBondContact CD2-OH 3.33Å; L308-Y310 HydrophobicContact CG-CE2 4.1Å |
| 311 | S | 95.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 162.4 | 172.7 | -166.8 | 0 | 0 | 0 | 0 | 112.6 | K257 H258 D315 | K257-S311 CarbonylContact C-O 3.6Å; K257-S311 VanDerWaalsContact CA-O 3.22Å; K257-S311 WeakPolarHBondContact CA-O 3.38Å; K257-S311 WeakPolarHBondContact CB-O 3.29Å; H258-S311 PolarHBondContact N-O 3Å; H258-S311 PolarHBondContact O-N 2.82Å; H258-S311 VanDerWaalsContact O-N 3.14Å; S311-D315 PolarHBondContact OG-OD2 2.99Å |
| 312 | A | 94.7 | Very high | 94.9 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | trans | -68.9 | 151.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D315 V337 | A312-D315 VanDerWaalsContact O-CB 3.28Å; A312-D315 WeakPolarHBondContact O-CB 3.4Å; A312-D315 PolarHBondContact O-N 3.46Å; A312-V337 WeakPolarHBondContact O-CG1 3.43Å | ||
| 313 | P | 94.7 | Very high | 94.9 | Very high | 34 Ų | 34 | 32.9 Ų | 32.9 | 22% | 0.221 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 149.5 | 176.4 | 26.4 | -34.8 | 0 | 0 | 0 | 111.5 | K281 D315 D339 | K281-P313 PolarHBondContact NZ-O 2.9Å; P313-D315 PolarHBondContact O-N 2.87Å; P313-D339 HydrophobicContact CB-CB 4.11Å |
| 314 | N | 94.4 | Very high | 94.5 | Very high | 111 Ų | 111 | 36.6 Ų | 36.6 | 59% | 0.594 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 31.5 | -174.4 | -51.9 | -51.2 | 0 | 0 | 0 | 113.6 | K281 V337 | K281-N314 VanDerWaalsContact CE-O 3.3Å; K281-N314 WeakPolarHBondContact CE-O 3.49Å; K281-N314 PolarHBondContact NZ-O 2.86Å; K281-N314 VanDerWaalsContact NZ-O 3.13Å; N314-V337 WeakPolarHBondContact CA-O 3.36Å; N314-V337 PolarHBondContact N-O 2.98Å |
| 315 | D | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -89.9 | 141.5 | 167.6 | -168.5 | 22.6 | 0 | 0 | 0 | 110 | S279 A280 K281 S311 A312 P313 L317 N336 V337 | S279-D315 WeakPolarHBondContact CB-OD2 3.38Å; S279-D315 PolarHBondContact OG-OD1 2.69Å; S279-D315 VanDerWaalsContact OG-OD1 3.07Å; S279-D315 PolarHBondContact OG-OD2 2.88Å; A280-D315 PolarHBondContact N-OD1 3.08Å; K281-D315 HydrophobicContact CD-CB 3.97Å; K281-D315 WeakPolarHBondContact CG-OD1 3.07Å; K281-D315 PolarHBondContact N-OD1 2.83Å; S311-D315 PolarHBondContact OG-OD2 2.99Å; A312-D315 VanDerWaalsContact O-CB 3.28Å; A312-D315 WeakPolarHBondContact O-CB 3.4Å; A312-D315 PolarHBondContact O-N 3.46Å; P313-D315 PolarHBondContact O-N 2.87Å; D315-L317 VanDerWaalsContact OD2-CD2 3.24Å; D315-L317 WeakPolarHBondContact OD2-CD2 3.43Å; D315-N336 WeakPolarHBondContact O-CA 3.44Å; D315-V337 HydrophobicContact CB-CB 4.44Å; D315-V337 HydrophobicContact CB-CG2 4.24Å; D315-V337 WeakPolarHBondContact O-CG2 3.26Å; D315-V337 PolarHBondContact O-N 3.49Å | ||
| 316 | D | 95.7 | Very high | 93.8 | Very high | 91 Ų | 91 | 39 Ų | 39 | 49% | 0.487 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 111.2 | 174.3 | -69.3 | -38.2 | 0 | 0 | 0 | 108.4 | A280 N336 | A280-D316 HydrophobicContact CB-CB 4Å; A280-D316 PolarHBondContact N-O 3.11Å; D316-N336 PolarHBondContact OD1-ND2 2.93Å |
| 317 | L | 96 | Very high | 93.4 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 139.9 | 177.4 | -55.6 | 179.3 | 0 | 0 | 0 | 110.6 | V260 I277 S278 D315 K334 I335 V337 | V260-L317 HydrophobicContact CG2-CD1 4.44Å; I277-L317 HydrophobicContact CG2-CB 4.38Å; I277-L317 HydrophobicContact CG2-CD1 4.39Å; I277-L317 HydrophobicContact CG2-CD2 4.2Å; S278-L317 CarbonylContact O-C 3.5Å; S278-L317 VanDerWaalsContact O-CA 3.31Å; S278-L317 WeakPolarHBondContact O-CA 3.46Å; D315-L317 VanDerWaalsContact OD2-CD2 3.24Å; D315-L317 WeakPolarHBondContact OD2-CD2 3.43Å; L317-K334 CarbonylContact O-C 3.53Å; L317-K334 WeakPolarHBondContact O-CA 3.47Å; L317-I335 HydrophobicContact CB-CG2 3.74Å; L317-I335 HydrophobicContact CD1-CG2 4.41Å; L317-I335 HydrophobicContact CG-CG2 4.47Å; L317-I335 PolarHBondContact N-O 3.34Å; L317-I335 PolarHBondContact O-N 2.89Å; L317-V337 HydrophobicContact CD1-CG2 3.54Å; L317-V337 HydrophobicContact CG-CG2 3.73Å |
| 318 | N | 96.4 | Very high | 93.1 | Very high | 49 Ų | 49 | 40 Ų | 40 | 26% | 0.262 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 110.9 | 166.3 | -174.4 | 40.2 | 0 | 0 | 0 | 108.9 | S278 M333 K334 | S278-N318 PolarHBondContact N-O 2.87Å; S278-N318 PolarHBondContact O-N 2.8Å; N318-M333 WeakPolarHBondContact CA-O 3.29Å; N318-K334 HydrophobicContact CB-CG 4.44Å; N318-K334 WeakPolarHBondContact OD1-CG 3.43Å |
| 319 | I | 97 | Very high | 92.8 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 116.4 | -179.4 | -54 | 171.7 | 0 | 0 | 0 | 107.5 | F262 V275 I277 S332 M333 I335 L344 F348 | F262-I319 HydrophobicContact CD1-CD1 3.81Å; F262-I319 HydrophobicContact CD2-CG2 4.3Å; F262-I319 HydrophobicContact CE1-CD1 4.02Å; F262-I319 HydrophobicContact CE2-CG2 3.92Å; F262-I319 HydrophobicContact CG-CD1 4.19Å; F262-I319 HydrophobicContact CZ-CG2 4.03Å; V275-I319 HydrophobicContact CG1-CG2 3.74Å; I277-I319 HydrophobicContact CG1-CG1 4.4Å; I277-I319 HydrophobicContact CG1-CG2 4.42Å; I277-I319 HydrophobicContact CG2-CG1 4.45Å; I319-S332 CarbonylContact O-C 3.6Å; I319-S332 WeakPolarHBondContact O-CA 3.49Å; I319-M333 PolarHBondContact N-O 3.23Å; I319-M333 PolarHBondContact O-N 2.88Å; I319-I335 HydrophobicContact CD1-CG2 4.36Å; I319-L344 HydrophobicContact CD1-CD1 3.99Å; I319-F348 HydrophobicContact CB-CE2 4.45Å; I319-F348 HydrophobicContact CB-CZ 4.19Å; I319-F348 HydrophobicContact CG2-CE2 3.84Å; I319-F348 HydrophobicContact CG2-CZ 3.89Å |
| 320 | L | 95.4 | Very high | 92.7 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 27% | 0.272 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.1 | -179 | 166.7 | 63.4 | 0 | 0 | 0 | 108.8 | V275 V276 K322 V331 | V275-L320 CarbonylContact C-O 3.53Å; V276-L320 HydrophobicContact CB-CB 4.4Å; V276-L320 PolarHBondContact N-O 2.89Å; V276-L320 PolarHBondContact O-N 3.43Å; L320-K322 HydrophobicContact CD1-CG 4.34Å; L320-K322 HydrophobicContact CD2-CD 4.37Å; L320-K322 HydrophobicContact CD2-CG 4.3Å; L320-K322 HydrophobicContact CG-CG 4.06Å; L320-V331 WeakPolarHBondContact CD1-O 3.47Å |
| 321 | V | 94.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.8 | 174.4 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | V264 F273 E274 V275 I328 F348 | V264-V321 HydrophobicContact CG1-CG1 4.13Å; V264-V321 HydrophobicContact CG2-CG2 4.09Å; F273-V321 HydrophobicContact CD2-CG1 4.07Å; E274-V321 WeakPolarHBondContact O-CA 3.32Å; V275-V321 HydrophobicContact CG1-CG2 4.31Å; V275-V321 HydrophobicContact CG2-CG2 4.15Å; V321-I328 HydrophobicContact CB-CG1 4.45Å; V321-I328 HydrophobicContact CB-CG2 3.75Å; V321-I328 HydrophobicContact CG1-CD1 4.21Å; V321-I328 HydrophobicContact CG1-CG1 4.13Å; V321-I328 HydrophobicContact CG1-CG2 4.12Å; V321-F348 HydrophobicContact CB-CD1 4.13Å; V321-F348 HydrophobicContact CB-CG 4.4Å; V321-F348 HydrophobicContact CG2-CB 4.09Å; V321-F348 HydrophobicContact CG2-CD1 3.6Å; V321-F348 HydrophobicContact CG2-CD2 3.84Å; V321-F348 HydrophobicContact CG2-CE1 3.91Å; V321-F348 HydrophobicContact CG2-CE2 4.12Å; V321-F348 HydrophobicContact CG2-CG 3.57Å; V321-F348 HydrophobicContact CG2-CZ 4.15Å |
| 322 | K | 91.7 | Very high | 92.2 | Very high | 91 Ų | 91 | 45.2 Ų | 45.2 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143 | 179.1 | -65.2 | 161.5 | 175.7 | -178.5 | 0 | 110.4 | F273 E274 V276 L320 | F273-K322 CarbonylContact C-O 3.5Å; F273-K322 WeakPolarHBondContact CA-O 3.49Å; F273-K322 VanDerWaalsContact CB-O 3.32Å; F273-K322 WeakPolarHBondContact CB-O 3.34Å; E274-K322 HydrophobicContact CG-CB 3.84Å; E274-K322 HydrophobicContact CG-CD 3.98Å; E274-K322 PolarHBondContact N-O 2.86Å; E274-K322 PolarHBondContact O-N 3.41Å; E274-K322 WeakPolarHBondContact OE1-CD 3.19Å; E274-K322 IonicContact OE1-NZ 3.38Å; E274-K322 PolarHBondContact OE1-NZ 3.07Å; V276-K322 HydrophobicContact CG2-CD 4.22Å; L320-K322 HydrophobicContact CD1-CG 4.34Å; L320-K322 HydrophobicContact CD2-CD 4.37Å; L320-K322 HydrophobicContact CD2-CG 4.3Å; L320-K322 HydrophobicContact CG-CG 4.06Å |
| 323 | S | 89.9 | Confident | 92.2 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 147 | 171.5 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | V272 E325 L326 | V272-S323 PolarHBondContact O-OG 3.45Å; S323-E325 VanDerWaalsContact C-N 3.33Å; S323-E325 PolarHBondContact OG-N 2.94Å; S323-L326 PolarHBondContact OG-N 3.45Å |
| 324 | S | 84.5 | Confident | 92.2 | Very high | 77 Ų | 77 | 51.7 Ų | 51.7 | 54% | 0.538 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -80.7 | -14 | 172.2 | 50 | 0 | 0 | 0 | 0 | 113.2 | ||
| 325 | E | 84.6 | Confident | 92.2 | Very high | 94 Ų | 94 | 47.3 Ų | 47.3 | 44% | 0.439 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -121.8 | -25.4 | -170.3 | -63.9 | -179.8 | 176.9 | 0 | 0 | 113 | S323 | S323-E325 VanDerWaalsContact C-N 3.33Å; S323-E325 PolarHBondContact OG-N 2.94Å |
| 326 | L | 89.1 | Confident | 92.2 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 145.8 | -174 | -57.7 | 178 | 0 | 0 | 0 | 113.1 | L266 N271 S323 I328 T351 P394 | L266-L326 HydrophobicContact CB-CD1 3.86Å; L266-L326 HydrophobicContact CD1-CD1 4.28Å; L266-L326 HydrophobicContact CD2-CD1 3.81Å; L266-L326 HydrophobicContact CG-CD1 4.19Å; N271-L326 HydrophobicContact CB-CD1 3.66Å; N271-L326 HydrophobicContact CB-CG 4.15Å; S323-L326 PolarHBondContact OG-N 3.45Å; L326-I328 HydrophobicContact CB-CD1 4.06Å; L326-T351 WeakPolarHBondContact CA-O 3.38Å; L326-P394 WeakPolarHBondContact O-CG 3.4Å |
| 327 | V | 87.2 | Confident | 92.2 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 114.9 | 165.9 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | G350 T351 P394 R396 | V327-G350 WeakPolarHBondContact O-CA 3.34Å; V327-T351 PolarHBondContact N-O 2.93Å; V327-T351 PolarHBondContact O-N 3.23Å; V327-T351 VanDerWaalsContact O-N 3.08Å; V327-P394 HydrophobicContact CG2-CB 3.92Å; V327-P394 HydrophobicContact CG2-CG 4.13Å; V327-R396 HydrophobicContact CG1-CB 4.4Å |
| 328 | I | 91.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 130.3 | 179.5 | -53 | -52.5 | 0 | 0 | 0 | 110.5 | L266 V321 L326 P330 F348 Y349 | L266-I328 HydrophobicContact CD2-CD1 4Å; V321-I328 HydrophobicContact CB-CG1 4.45Å; V321-I328 HydrophobicContact CB-CG2 3.75Å; V321-I328 HydrophobicContact CG1-CD1 4.21Å; V321-I328 HydrophobicContact CG1-CG1 4.13Å; V321-I328 HydrophobicContact CG1-CG2 4.12Å; L326-I328 HydrophobicContact CB-CD1 4.06Å; I328-P330 WeakPolarHBondContact CG2-O 3.39Å; I328-F348 HydrophobicContact CG2-CB 4.29Å; I328-F348 HydrophobicContact CG2-CD1 3.89Å; I328-Y349 CarbonylContact C-O 3.48Å; I328-Y349 WeakPolarHBondContact CA-O 3.46Å |
| 329 | T | 90 | Very high | 92 | Very high | 63 Ų | 63 | 54.9 Ų | 54.9 | 39% | 0.387 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 125.5 | 174.5 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | Y349 | T329-Y349 PolarHBondContact N-O 2.91Å; T329-Y349 PolarHBondContact O-N 2.96Å |
| 330 | P | 93.5 | Very high | 91.9 | Very high | 44 Ų | 44 | 58.8 Ų | 58.8 | 29% | 0.286 | 31% | 0.312 | S | S | . | . | S | Bend | cis | -66.3 | 160.4 | -10.1 | 30.6 | -35.3 | 0 | 0 | 0 | 111.4 | I328 S332 F348 | I328-P330 WeakPolarHBondContact CG2-O 3.39Å; P330-S332 VanDerWaalsContact C-N 3.3Å; P330-S332 PolarHBondContact O-N 3.36Å; P330-F348 HydrophobicContact CG-CD1 4.23Å; P330-F348 HydrophobicContact CG-CE1 4.12Å; P330-F348 WeakPolarHBondContact O-CD1 3.29Å; P330-F348 WeakPolarHBondContact O-CE1 3.35Å |
| 331 | V | 87.1 | Confident | 91.9 | Very high | 101 Ų | 101 | 57.9 Ų | 57.9 | 61% | 0.612 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -68.5 | -32.2 | 177.9 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | L320 | L320-V331 WeakPolarHBondContact CD1-O 3.47Š|
| 332 | S | 93.3 | Very high | 91.9 | Very high | 44 Ų | 44 | 59 Ų | 59 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 153.4 | 178.8 | 60.7 | 0 | 0 | 0 | 0 | 110.6 | I319 P330 | I319-S332 CarbonylContact O-C 3.6Å; I319-S332 WeakPolarHBondContact O-CA 3.49Å; P330-S332 VanDerWaalsContact C-N 3.3Å; P330-S332 PolarHBondContact O-N 3.36Å |
| 333 | M | 94.6 | Very high | 92.1 | Very high | 20 Ų | 20 | 60 Ų | 60 | 10% | 0.099 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 131.6 | 174.7 | -169.4 | -174.1 | -56 | 0 | 0 | 109.9 | N318 I319 L344 E346 F348 | N318-M333 WeakPolarHBondContact CA-O 3.29Å; I319-M333 PolarHBondContact N-O 3.23Å; I319-M333 PolarHBondContact O-N 2.88Å; M333-L344 HydrophobicContact SD-CB 4.28Å; M333-L344 HydrophobicContact SD-CD1 3.5Å; M333-L344 VanDerWaalsContact SD-CD1 3.5Å; M333-L344 HydrophobicContact SD-CG 4.43Å; M333-E346 HydrophobicContact CE-CB 3.3Å; M333-E346 HydrophobicContact CE-CG 4.45Å; M333-E346 HydrophobicContact SD-CB 4.25Å; M333-F348 HydrophobicContact CB-CE1 4.46Å; M333-F348 HydrophobicContact CB-CE2 4.35Å; M333-F348 HydrophobicContact CB-CZ 3.68Å; M333-F348 HydrophobicContact CE-CE2 4.01Å; M333-F348 HydrophobicContact CE-CZ 4.21Å |
| 334 | K | 95 | Very high | 92.3 | Very high | 172 Ų | 172 | 59.8 Ų | 59.8 | 75% | 0.748 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.4 | 174.5 | -65.9 | -177.2 | -179.2 | -177 | 0 | 109.6 | L317 N318 | L317-K334 CarbonylContact O-C 3.53Å; L317-K334 WeakPolarHBondContact O-CA 3.47Å; N318-K334 HydrophobicContact CB-CG 4.44Å; N318-K334 WeakPolarHBondContact OD1-CG 3.43Å |
| 335 | I | 94.8 | Very high | 92.5 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 138.8 | 178.7 | -179.5 | 171 | 0 | 0 | 0 | 110.9 | V260 L317 I319 L344 | V260-I335 HydrophobicContact CG1-CD1 4.03Å; L317-I335 HydrophobicContact CB-CG2 3.74Å; L317-I335 HydrophobicContact CD1-CG2 4.41Å; L317-I335 HydrophobicContact CG-CG2 4.47Å; L317-I335 PolarHBondContact N-O 3.34Å; L317-I335 PolarHBondContact O-N 2.89Å; I319-I335 HydrophobicContact CD1-CG2 4.36Å; I335-L344 HydrophobicContact CD1-CD1 4.09Å; I335-L344 HydrophobicContact CD1-CD2 3.17Å; I335-L344 HydrophobicContact CD1-CG 4.24Å; I335-L344 HydrophobicContact CG1-CD2 4.48Å |
| 336 | N | 95.3 | Very high | 92.8 | Very high | 75 Ų | 75 | 64.9 Ų | 64.9 | 40% | 0.401 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 120.1 | 163 | -175.7 | -94.9 | 0 | 0 | 0 | 109.1 | D315 D316 K338 | D315-N336 WeakPolarHBondContact O-CA 3.44Å; D316-N336 PolarHBondContact OD1-ND2 2.93Å; N336-K338 PolarHBondContact O-N 3.37Å |
| 337 | V | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 123 | -175.9 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | V260 A312 N314 D315 L317 | V260-V337 HydrophobicContact CG2-CG1 4.27Å; V260-V337 HydrophobicContact CG2-CG2 4.11Å; A312-V337 WeakPolarHBondContact O-CG1 3.43Å; N314-V337 WeakPolarHBondContact CA-O 3.36Å; N314-V337 PolarHBondContact N-O 2.98Å; D315-V337 HydrophobicContact CB-CB 4.44Å; D315-V337 HydrophobicContact CB-CG2 4.24Å; D315-V337 WeakPolarHBondContact O-CG2 3.26Å; D315-V337 PolarHBondContact O-N 3.49Å; L317-V337 HydrophobicContact CD1-CG2 3.54Å; L317-V337 HydrophobicContact CG-CG2 3.73Å |
| 338 | K | 94.1 | Very high | 93.5 | Very high | 130 Ų | 130 | 64.6 Ų | 64.6 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 164.9 | 177.2 | -67.7 | 178.7 | -174 | 179.6 | 0 | 111.3 | N336 D340 Q342 | N336-K338 PolarHBondContact O-N 3.37Å; K338-D340 PolarHBondContact O-N 3.46Å; K338-Q342 HydrophobicContact CB-CG 4.17Å; K338-Q342 HydrophobicContact CD-CG 4.23Å; K338-Q342 HydrophobicContact CG-CG 4.38Å |
| 339 | D | 94.5 | Very high | 93.6 | Very high | 97 Ų | 97 | 69.5 Ų | 69.5 | 52% | 0.519 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -75.8 | 42.7 | 166.5 | -167.3 | 40.4 | 0 | 0 | 0 | 111.5 | H191 H258 P313 | H191-D339 PolarHBondContact NE2-O 3.15Å; H191-D339 VanDerWaalsContact NE2-O 3.12Å; H258-D339 IonicContact CE1-OD1 2.79Å; H258-D339 IonicContact NE2-OD1 3.58Å; H258-D339 PolarHBondContact NE2-OD1 3.49Å; P313-D339 HydrophobicContact CB-CB 4.11Å |
| 340 | D | 95.2 | Very high | 93.7 | Very high | 83 Ų | 83 | 66.5 Ų | 66.5 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -166.7 | 165.6 | 171.9 | -153.1 | -10.4 | 0 | 0 | 0 | 109.4 | H191 H234 K338 | H191-D340 IonicContact CD2-OD1 2.85Å; H234-D340 IonicContact CE1-OD1 3.5Å; H234-D340 PolarHBondContact CE1-OD1 3.02Å; H234-D340 VanDerWaalsContact CE1-OD1 3.32Å; H234-D340 IonicContact NE2-OD1 2.83Å; K338-D340 PolarHBondContact O-N 3.46Å |
| 341 | C | 95.1 | Very high | 93.5 | Very high | 34 Ų | 34 | 67 Ų | 67 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | trans | -66.3 | 144.8 | 175.3 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | C233 H234 G259 | C233-C341 HydrophobicContact CB-CB 3.88Å; C233-C341 WeakPolarHBondContact CB-SG 3.3Å; C233-C341 PolarHBondContact O-SG 3.4Å; C233-C341 WeakPolarHBondContact SG-CB 3.35Å; C233-C341 CovalentContact SG-SG 2.02Å; C233-C341 PolarHBondContact SG-SG 3.08Å; H234-C341 PolarHBondContact CE1-SG 3.47Å; H234-C341 PolarHBondContact ND1-SG 3Å; G259-C341 CarbonylContact O-C 3.6Å; G259-C341 VanDerWaalsContact O-CA 3.31Å; G259-C341 WeakPolarHBondContact O-CA 3.19Å | ||
| 342 | Q | 94.5 | Very high | 93.4 | Very high | 27 Ų | 27 | 66.1 Ų | 66.1 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 135.7 | -177.1 | -63.2 | 178.8 | -88.6 | 0 | 0 | 110.7 | G259 V260 Q261 K338 L344 | G259-Q342 PolarHBondContact O-N 2.85Å; V260-Q342 CarbonylContact C-O 3.55Å; V260-Q342 WeakPolarHBondContact CA-O 3.29Å; Q261-Q342 PolarHBondContact N-O 2.83Å; K338-Q342 HydrophobicContact CB-CG 4.17Å; K338-Q342 HydrophobicContact CD-CG 4.23Å; K338-Q342 HydrophobicContact CG-CG 4.38Å; Q342-L344 HydrophobicContact CB-CD2 4.43Å |
| 343 | I | 95.1 | Very high | 92.7 | Very high | 113 Ų | 113 | 65 Ų | 65 | 58% | 0.579 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 123.4 | 166.2 | -57.3 | 172.2 | 0 | 0 | 0 | 106.7 | Q261 | Q261-I343 HydrophobicContact CB-CG1 4.2Å |
| 344 | L | 94.1 | Very high | 92.1 | Very high | 20 Ų | 20 | 67.8 Ų | 67.8 | 11% | 0.105 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 121.3 | 178.4 | -50.3 | -169 | 0 | 0 | 0 | 108.6 | V260 Q261 F262 I319 M333 I335 Q342 E346 | V260-L344 HydrophobicContact CG1-CD1 3.87Å; V260-L344 HydrophobicContact CG1-CD2 4.09Å; V260-L344 HydrophobicContact CG1-CG 3.99Å; Q261-L344 WeakPolarHBondContact O-CG 3.39Å; Q261-L344 PolarHBondContact O-N 2.78Å; F262-L344 HydrophobicContact CB-CB 4.12Å; F262-L344 HydrophobicContact CB-CD1 3.88Å; F262-L344 HydrophobicContact CB-CG 4.11Å; I319-L344 HydrophobicContact CD1-CD1 3.99Å; M333-L344 HydrophobicContact SD-CB 4.28Å; M333-L344 HydrophobicContact SD-CD1 3.5Å; M333-L344 VanDerWaalsContact SD-CD1 3.5Å; M333-L344 HydrophobicContact SD-CG 4.43Å; I335-L344 HydrophobicContact CD1-CD1 4.09Å; I335-L344 HydrophobicContact CD1-CD2 3.17Å; I335-L344 HydrophobicContact CD1-CG 4.24Å; I335-L344 HydrophobicContact CG1-CD2 4.48Å; Q342-L344 HydrophobicContact CB-CD2 4.43Å; L344-E346 PolarHBondContact O-N 2.77Å |
| 345 | N | 89.8 | Confident | 91.7 | Very high | 157 Ų | 157 | 63.6 Ų | 63.6 | 84% | 0.84 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | -19 | 179.2 | -64.5 | -16.5 | 0 | 0 | 0 | 112.3 | ||
| 346 | E | 90.6 | Very high | 91.4 | Very high | 120 Ų | 120 | 63 Ų | 63 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 131.4 | 177.1 | -72.1 | -177.1 | -163.2 | 0 | 0 | 110.2 | M333 L344 | M333-E346 HydrophobicContact CE-CB 3.3Å; M333-E346 HydrophobicContact CE-CG 4.45Å; M333-E346 HydrophobicContact SD-CB 4.25Å; L344-E346 PolarHBondContact O-N 2.77Å |
| 347 | T | 94.4 | Very high | 91.2 | Very high | 24 Ų | 24 | 66.5 Ų | 66.5 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 139.5 | 179.5 | -55.8 | 0 | 0 | 0 | 0 | 109.7 | D263 K265 L304 Y349 | D263-T347 HydrophobicContact CB-CG2 3.85Å; K265-T347 HydrophobicContact CB-CG2 3.9Å; L304-T347 HydrophobicContact CD1-CG2 4.37Å; T347-Y349 HydrophobicContact CG2-CE1 4.42Å; T347-Y349 HydrophobicContact CG2-CE2 4.27Å; T347-Y349 WeakPolarHBondContact O-CD2 3.5Å; T347-Y349 WeakPolarHBondContact O-CE2 3.32Å |
| 348 | F | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 123.7 | 168.6 | -68.7 | -88.3 | 0 | 0 | 0 | 109.7 | F262 D263 V264 K265 I319 V321 I328 P330 M333 | F262-F348 HydrophobicContact CD2-CD2 4.42Å; F262-F348 HydrophobicContact CD2-CE2 4.29Å; D263-F348 PolarHBondContact O-N 2.89Å; V264-F348 CarbonylContact C-O 3.58Å; V264-F348 WeakPolarHBondContact CA-O 3.27Å; V264-F348 HydrophobicContact CB-CB 4.41Å; V264-F348 HydrophobicContact CG1-CB 4.19Å; V264-F348 HydrophobicContact CG2-CB 4.19Å; V264-F348 HydrophobicContact CG2-CD2 4.25Å; K265-F348 PolarHBondContact N-O 3.28Å; I319-F348 HydrophobicContact CB-CE2 4.45Å; I319-F348 HydrophobicContact CB-CZ 4.19Å; I319-F348 HydrophobicContact CG2-CE2 3.84Å; I319-F348 HydrophobicContact CG2-CZ 3.89Å; V321-F348 HydrophobicContact CB-CD1 4.13Å; V321-F348 HydrophobicContact CB-CG 4.4Å; V321-F348 HydrophobicContact CG2-CB 4.09Å; V321-F348 HydrophobicContact CG2-CD1 3.6Å; V321-F348 HydrophobicContact CG2-CD2 3.84Å; V321-F348 HydrophobicContact CG2-CE1 3.91Å; V321-F348 HydrophobicContact CG2-CE2 4.12Å; V321-F348 HydrophobicContact CG2-CG 3.57Å; V321-F348 HydrophobicContact CG2-CZ 4.15Å; I328-F348 HydrophobicContact CG2-CB 4.29Å; I328-F348 HydrophobicContact CG2-CD1 3.89Å; P330-F348 HydrophobicContact CG-CD1 4.23Å; P330-F348 HydrophobicContact CG-CE1 4.12Å; P330-F348 WeakPolarHBondContact O-CD1 3.29Å; P330-F348 WeakPolarHBondContact O-CE1 3.35Å; M333-F348 HydrophobicContact CB-CE1 4.46Å; M333-F348 HydrophobicContact CB-CE2 4.35Å; M333-F348 HydrophobicContact CB-CZ 3.68Å; M333-F348 HydrophobicContact CE-CE2 4.01Å; M333-F348 HydrophobicContact CE-CZ 4.21Å |
| 349 | Y | 93.4 | Very high | 91.2 | Very high | 116 Ų | 116 | 64.5 Ų | 64.5 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 121.2 | 176.6 | -65.5 | -88.2 | 0 | 0 | 0 | 110.6 | K265 I328 T329 T347 | K265-Y349 HydrophobicContact CB-CD1 4.05Å; K265-Y349 HydrophobicContact CB-CE1 4.23Å; K265-Y349 HydrophobicContact CD-CD1 4.19Å; K265-Y349 HydrophobicContact CD-CE1 3.88Å; K265-Y349 HydrophobicContact CG-CD1 4.42Å; K265-Y349 CarbonylContact O-C 3.57Å; K265-Y349 VanDerWaalsContact O-CA 3.29Å; K265-Y349 WeakPolarHBondContact O-CA 3.24Å; I328-Y349 CarbonylContact C-O 3.48Å; I328-Y349 WeakPolarHBondContact CA-O 3.46Å; T329-Y349 PolarHBondContact N-O 2.91Å; T329-Y349 PolarHBondContact O-N 2.96Å; T347-Y349 HydrophobicContact CG2-CE1 4.42Å; T347-Y349 HydrophobicContact CG2-CE2 4.27Å; T347-Y349 WeakPolarHBondContact O-CD2 3.5Å; T347-Y349 WeakPolarHBondContact O-CE2 3.32Å |
| 350 | G | 92.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K265 E267 V327 | K265-G350 PolarHBondContact O-N 2.82Å; E267-G350 WeakPolarHBondContact CB-O 3.13Å; E267-G350 PolarHBondContact N-O 2.86Å; V327-G350 WeakPolarHBondContact O-CA 3.34Å |
| 351 | T | 89.2 | Confident | 91.1 | Very high | 54 Ų | 54 | 58.6 Ų | 58.6 | 33% | 0.331 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 152.7 | 175.9 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | E267 L326 V327 G353 | E267-T351 WeakPolarHBondContact OE2-CA 3.08Å; L326-T351 WeakPolarHBondContact CA-O 3.38Å; V327-T351 PolarHBondContact N-O 2.93Å; V327-T351 PolarHBondContact O-N 3.23Å; V327-T351 VanDerWaalsContact O-N 3.08Å; T351-G353 PolarHBondContact O-N 2.77Å |
| 352 | S | 85.6 | Confident | 91 | Very high | 82 Ų | 82 | 60.2 Ų | 60.2 | 57% | 0.573 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 133.8 | 173 | -65.4 | 0 | 0 | 0 | 0 | 111.1 | E267 | E267-S352 PolarHBondContact OE2-N 2.81Å |
| 353 | G | 79 | Confident | 90.9 | Very high | 21 Ų | 21 | 62.8 Ų | 62.8 | 22% | 0.216 | 34% | 0.34 | C | S | . | . | trans | -111.9 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T351 F395 | T351-G353 PolarHBondContact O-N 2.77Å; G353-F395 WeakPolarHBondContact CA-O 3.33Å | ||
| 354 | V | 82.4 | Confident | 90.6 | Very high | 79 Ų | 79 | 59.4 Ų | 59.4 | 48% | 0.479 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 139.3 | 179.3 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | F395 M398 | V354-F395 PolarHBondContact N-O 2.89Å; V354-F395 PolarHBondContact O-N 3.43Å; V354-M398 HydrophobicContact CG1-CG 4.37Å |
| 355 | F | 86.3 | Confident | 90.6 | Very high | 84 Ų | 84 | 62.1 Ų | 62.1 | 37% | 0.368 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 137.5 | 173.4 | -70.1 | -99 | 0 | 0 | 0 | 110.1 | L392 P394 | F355-L392 CarbonylContact C-O 3.52Å; F355-L392 WeakPolarHBondContact CA-O 3.3Å; F355-P394 HydrophobicContact CE1-CB 4.5Å; F355-P394 HydrophobicContact CE2-CB 4Å; F355-P394 HydrophobicContact CZ-CB 3.93Å; F355-P394 HydrophobicContact CZ-CG 4.41Å |
| 356 | L | 87.7 | Confident | 90.7 | Very high | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 120.7 | 166.2 | 172.1 | 61.1 | 0 | 0 | 0 | 108.8 | I371 Y390 S391 L392 F395 M398 V403 F419 | L356-I371 HydrophobicContact CB-CD1 4.37Å; L356-I371 HydrophobicContact CD2-CD1 3.49Å; L356-I371 VanDerWaalsContact CD2-CD1 3.49Å; L356-I371 HydrophobicContact CD2-CG1 4.19Å; L356-Y390 HydrophobicContact CD2-CE2 3.97Å; L356-Y390 WeakPolarHBondContact CD2-OH 3.39Å; L356-Y390 HydrophobicContact CG-CE2 4.03Å; L356-S391 CarbonylContact O-C 3.57Å; L356-S391 VanDerWaalsContact O-CA 3.28Å; L356-S391 WeakPolarHBondContact O-CA 3.12Å; L356-L392 PolarHBondContact N-O 2.89Å; L356-L392 PolarHBondContact O-N 2.83Å; L356-F395 HydrophobicContact CB-CE2 4.26Å; L356-M398 HydrophobicContact CB-CE 3.6Å; L356-M398 HydrophobicContact CB-SD 4.15Å; L356-M398 HydrophobicContact CD1-CE 3.42Å; L356-M398 VanDerWaalsContact CD1-CE 3.42Å; L356-M398 HydrophobicContact CD2-CE 4.31Å; L356-M398 HydrophobicContact CG-CE 3.91Å; L356-V403 HydrophobicContact CD2-CG1 4.18Å; L356-V403 HydrophobicContact CD2-CG2 3.73Å; L356-F419 HydrophobicContact CD1-CD1 3.93Å; L356-F419 HydrophobicContact CD1-CE1 4.31Å; L356-F419 WeakPolarHBondContact CD1-O 3.31Å |
| 357 | E | 90.9 | Very high | 90.9 | Very high | 148 Ų | 148 | 50.3 Ų | 50.3 | 69% | 0.692 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.6 | 171.8 | -60.7 | -173.8 | 163.4 | 0 | 0 | 109.5 | Y390 | E357-Y390 WeakPolarHBondContact CA-O 3.37Å |
| 358 | G | 93.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 174.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R389 Y390 | G358-R389 WeakPolarHBondContact O-CA 3.33Å; G358-Y390 VanDerWaalsContact CA-CE1 3.46Å; G358-Y390 PolarHBondContact N-O 2.92Å; G358-Y390 VanDerWaalsContact N-O 3.17Å; G358-Y390 VanDerWaalsContact O-CD1 3.31Å; G358-Y390 WeakPolarHBondContact O-CD1 3.34Å; G358-Y390 PolarHBondContact O-N 2.85Å |
| 359 | Y | 95.5 | Very high | 90.7 | Very high | 82 Ų | 82 | 54.8 Ų | 54.8 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 162.2 | 178.6 | 69.6 | -85.3 | 0 | 0 | 0 | 113.8 | G388 I415 E418 S421 F422 | Y359-G388 CarbonylContact C-O 3.56Å; Y359-G388 WeakPolarHBondContact CA-O 3.28Å; Y359-G388 WeakPolarHBondContact CB-O 3.41Å; Y359-I415 HydrophobicContact CE2-CD1 4.23Å; Y359-E418 WeakPolarHBondContact CE1-OE2 3.35Å; Y359-E418 PolarHBondContact OH-OE2 3.19Å; Y359-S421 VanDerWaalsContact CD1-OG 3.32Å; Y359-S421 WeakPolarHBondContact CD1-OG 3.26Å; Y359-S421 VanDerWaalsContact CE1-OG 3.31Å; Y359-S421 WeakPolarHBondContact CE1-OG 3.04Å; Y359-S421 PolarHBondContact N-OG 2.99Å; Y359-S421 CarbonylContact O-C 3.56Å; Y359-S421 VanDerWaalsContact O-CA 3.23Å; Y359-S421 WeakPolarHBondContact O-CA 3.35Å; Y359-F422 PolarHBondContact O-N 3.42Å |
| 360 | V | 96.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.7 | 175.1 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | P362 P363 V367 T384 G388 F412 F422 A424 | V360-P362 CarbonylContact O-C 2.86Å; V360-P363 WeakPolarHBondContact O-CA 3.49Å; V360-V367 HydrophobicContact CG1-CG2 4.33Å; V360-V367 HydrophobicContact CG2-CB 4.22Å; V360-V367 HydrophobicContact CG2-CG1 4.11Å; V360-V367 HydrophobicContact CG2-CG2 4.18Å; V360-T384 HydrophobicContact CG2-CG2 3.88Å; V360-G388 PolarHBondContact N-O 3Å; V360-F412 HydrophobicContact CG1-CD1 4.28Å; V360-F412 HydrophobicContact CG1-CE1 3.78Å; V360-F412 HydrophobicContact CG2-CE1 4.35Å; V360-F422 CarbonylContact C-O 3.54Å; V360-F422 WeakPolarHBondContact CA-O 3.19Å; V360-F422 HydrophobicContact CG2-CB 4.45Å; V360-A424 HydrophobicContact CG1-CB 3.84Å |
| 361 | S | 92.6 | Very high | 90.1 | Very high | 52 Ų | 52 | 50.5 Ų | 50.5 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.2 | 178.2 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | F422 I423 A424 | S361-F422 PolarHBondContact N-O 3.03Å; S361-I423 CarbonylContact O-C 3.45Å; S361-I423 WeakPolarHBondContact O-CA 3.47Å; S361-A424 PolarHBondContact O-N 3.15Å |
| 362 | P | 92.3 | Very high | 89.6 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 44% | 0.442 | 29% | 0.292 | S | S | . | . | S | Bend | cis | -62.4 | 159.4 | -10.6 | 26.9 | -32.8 | 0 | 0 | 0 | 111.8 | V360 H364 | V360-P362 CarbonylContact O-C 2.86Å; P362-H364 PolarHBondContact O-N 2.87Å; P362-H364 PolarHBondContact O-ND1 2.81Å |
| 363 | P | 93 | Very high | 88.7 | Confident | 82 Ų | 82 | 49.5 Ų | 49.5 | 53% | 0.532 | 28% | 0.277 | S | S | . | . | trans | -64.4 | 122.1 | -170.8 | 25.5 | -34.7 | 0 | 0 | 0 | 112 | V360 | V360-P363 WeakPolarHBondContact O-CA 3.49Š| ||
| 364 | H | 88.7 | Confident | 87.8 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | trans | -128.3 | 123.6 | 175.7 | -75.7 | 86.5 | 0 | 0 | 0 | 110.2 | P362 V367 T384 Y410 | P362-H364 PolarHBondContact O-N 2.87Å; P362-H364 PolarHBondContact O-ND1 2.81Å; H364-V367 HydrophobicContact CB-CG2 3.86Å; H364-T384 WeakPolarHBondContact O-CB 3.32Å; H364-T384 PolarHBondContact O-OG1 2.76Å; H364-Y410 AromaticContact NE2-CE1 3.82Å; H364-Y410 AromaticContact NE2-CZ 3.79Å | ||
| 365 | P | 92.9 | Very high | 86.2 | Confident | 78 Ų | 78 | 57.7 Ų | 57.7 | 51% | 0.506 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 151.1 | 169.1 | 27.3 | -30.5 | 0 | 0 | 0 | 111.9 | D385 | P365-D385 VanDerWaalsContact CA-O 3.29Å; P365-D385 WeakPolarHBondContact CA-O 3.43Å |
| 366 | G | 92.7 | Very high | 84.4 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 14.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F368 T384 | G366-F368 PolarHBondContact O-N 2.91Å; G366-T384 PolarHBondContact N-O 2.88Å; G366-T384 PolarHBondContact N-OG1 2.69Å |
| 367 | V | 94.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | trans | -70.3 | 123.3 | 170.6 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | V360 H364 I369 V383 T384 A405 L407 F412 | V360-V367 HydrophobicContact CG1-CG2 4.33Å; V360-V367 HydrophobicContact CG2-CB 4.22Å; V360-V367 HydrophobicContact CG2-CG1 4.11Å; V360-V367 HydrophobicContact CG2-CG2 4.18Å; H364-V367 HydrophobicContact CB-CG2 3.86Å; V367-I369 HydrophobicContact CG1-CD1 3.9Å; V367-I369 PolarHBondContact O-N 2.83Å; V367-V383 WeakPolarHBondContact O-CA 3.25Å; V367-T384 HydrophobicContact CB-CG2 3.92Å; V367-T384 WeakPolarHBondContact CB-OG1 3.17Å; V367-T384 PolarHBondContact N-OG1 2.83Å; V367-T384 PolarHBondContact O-N 2.84Å; V367-T384 VanDerWaalsContact O-N 3.11Å; V367-A405 HydrophobicContact CG1-CB 4Å; V367-L407 HydrophobicContact CG2-CB 4.42Å; V367-L407 HydrophobicContact CG2-CD2 4.02Å; V367-F412 HydrophobicContact CB-CE1 4.44Å; V367-F412 HydrophobicContact CB-CZ 4.31Å; V367-F412 HydrophobicContact CG1-CD1 4.34Å; V367-F412 HydrophobicContact CG1-CE1 3.6Å; V367-F412 HydrophobicContact CG1-CE2 4.13Å; V367-F412 HydrophobicContact CG1-CZ 3.49Å; V367-F412 VanDerWaalsContact CG1-CZ 3.49Å; V367-F412 HydrophobicContact CG2-CE1 3.94Å; V367-F412 HydrophobicContact CG2-CZ 3.84Å | ||
| 368 | F | 93.4 | Very high | 80.8 | Confident | 117 Ų | 117 | 60.7 Ų | 60.7 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 114.7 | 177.9 | -73.1 | -84.1 | 0 | 0 | 0 | 109.8 | G366 V383 A405 S406 | G366-F368 PolarHBondContact O-N 2.91Å; F368-V383 HydrophobicContact CD1-CG1 3.83Å; F368-V383 HydrophobicContact CE1-CG1 3.91Å; F368-V383 HydrophobicContact CG-CG1 4.41Å; F368-A405 CarbonylContact O-C 3.59Å; F368-A405 WeakPolarHBondContact O-CA 3.41Å; F368-S406 WeakPolarHBondContact CB-OG 3.48Å; F368-S406 PolarHBondContact N-O 3.27Å; F368-S406 PolarHBondContact O-N 3.09Å; F368-S406 PolarHBondContact O-OG 2.79Å |
| 369 | I | 93.1 | Very high | 79.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.9 | 176 | -52.3 | -60.7 | 0 | 0 | 0 | 108.7 | V367 A381 T382 T384 Y390 V403 E404 A405 F422 | V367-I369 HydrophobicContact CG1-CD1 3.9Å; V367-I369 PolarHBondContact O-N 2.83Å; I369-A381 CarbonylContact O-C 3.59Å; I369-A381 WeakPolarHBondContact O-CA 3.37Å; I369-T382 HydrophobicContact CB-CG2 4.18Å; I369-T382 PolarHBondContact N-O 2.88Å; I369-T382 PolarHBondContact O-N 2.96Å; I369-T384 HydrophobicContact CD1-CG2 4.36Å; I369-T384 HydrophobicContact CG1-CG2 4.16Å; I369-Y390 HydrophobicContact CB-CD2 4.43Å; I369-Y390 HydrophobicContact CB-CE2 4.44Å; I369-Y390 HydrophobicContact CD1-CD1 4.27Å; I369-Y390 HydrophobicContact CD1-CE1 4.09Å; I369-Y390 HydrophobicContact CG1-CD1 3.73Å; I369-Y390 HydrophobicContact CG1-CD2 4.38Å; I369-Y390 HydrophobicContact CG1-CE1 3.89Å; I369-Y390 HydrophobicContact CG1-CG 3.98Å; I369-Y390 HydrophobicContact CG2-CD2 4.16Å; I369-Y390 HydrophobicContact CG2-CE1 4.11Å; I369-Y390 HydrophobicContact CG2-CE2 3.71Å; I369-V403 HydrophobicContact CG2-CG1 3.73Å; I369-E404 WeakPolarHBondContact CA-O 3.48Å; I369-A405 HydrophobicContact CD1-CB 3.65Å; I369-F422 HydrophobicContact CD1-CD2 4.31Å; I369-F422 HydrophobicContact CD1-CE2 4.22Å |
| 370 | T | 89.5 | Confident | 78.7 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 17% | 0.172 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.2 | -178.4 | -55.1 | 0 | 0 | 0 | 0 | 110.2 | P378 E404 | T370-P378 HydrophobicContact CG2-CB 3.55Å; T370-E404 PolarHBondContact N-O 2.92Å; T370-E404 PolarHBondContact O-N 3.1Å |
| 371 | I | 83.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.2 | 169.4 | -72 | -171.6 | 0 | 0 | 0 | 110.1 | L356 L379 M380 L392 F395 F401 D402 V403 | L356-I371 HydrophobicContact CB-CD1 4.37Å; L356-I371 HydrophobicContact CD2-CD1 3.49Å; L356-I371 VanDerWaalsContact CD2-CD1 3.49Å; L356-I371 HydrophobicContact CD2-CG1 4.19Å; I371-L379 HydrophobicContact CG2-CB 4.5Å; I371-L379 PolarHBondContact O-N 3.01Å; I371-M380 PolarHBondContact N-O 2.93Å; I371-L392 HydrophobicContact CB-CD2 3.96Å; I371-L392 HydrophobicContact CD1-CD2 3.52Å; I371-L392 HydrophobicContact CD1-CG 4.48Å; I371-L392 HydrophobicContact CG1-CD2 3.5Å; I371-F395 HydrophobicContact CD1-CE2 3.61Å; I371-F395 HydrophobicContact CD1-CZ 3.61Å; I371-F401 HydrophobicContact CG2-CB 3.76Å; I371-F401 HydrophobicContact CG2-CD1 3.55Å; I371-F401 HydrophobicContact CG2-CD2 4.41Å; I371-F401 HydrophobicContact CG2-CE1 4.29Å; I371-F401 HydrophobicContact CG2-CG 3.65Å; I371-D402 WeakPolarHBondContact CA-O 3.28Å; I371-V403 HydrophobicContact CD1-CG2 4.48Å; I371-V403 HydrophobicContact CG1-CG1 4.42Å; I371-V403 HydrophobicContact CG1-CG2 4.17Å |
| 372 | R | 79.7 | Confident | 78.2 | Confident | 88 Ų | 88 | 66.9 Ų | 66.9 | 33% | 0.332 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.1 | 171.4 | -64 | -176.6 | -179.7 | 165.2 | 9 | 110 | F401 D402 E404 | R372-F401 WeakPolarHBondContact O-CA 3.44Å; R372-D402 PolarHBondContact N-O 2.83Å; R372-D402 PolarHBondContact O-N 2.94Å; R372-E404 VanDerWaalsContact CZ-CD 3.45Å; R372-E404 IonicContact CZ-OE1 3.32Å; R372-E404 IonicContact CZ-OE2 2.71Å; R372-E404 IonicContact NE-OE1 3.85Å; R372-E404 IonicContact NE-OE2 3.91Å; R372-E404 PolarHBondContact NE-OE2 3.25Å; R372-E404 IonicContact NH1-OE1 3.75Å; R372-E404 PolarHBondContact NH1-OE1 3.36Å; R372-E404 IonicContact NH1-OE2 3.91Å; R372-E404 PolarHBondContact NH1-OE2 3.36Å; R372-E404 IonicContact NH2-OE1 3.92Å; R372-E404 IonicContact NH2-OE2 3.91Å; R372-E404 PolarHBondContact NH2-OE2 3.12Å |
| 373 | G | 66.3 | Low | 78.2 | Confident | 27 Ų | 27 | 67.1 Ų | 67.1 | 28% | 0.278 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 112.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 374 | G | 59.5 | Low | 78.3 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 64.9 | -162.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N376 | G374-N376 PolarHBondContact O-N 2.86Š|
| 375 | K | 48.5 | Very low | 78.5 | Confident | 208 Ų | 208 | 64.9 Ų | 64.9 | 90% | 0.904 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -65 | 94.1 | -169.9 | -72.1 | -174.1 | 177.9 | -179 | 0 | 112.6 | ||
| 376 | N | 49.6 | Very low | 78.5 | Confident | 144 Ų | 144 | 67 Ų | 67 | 77% | 0.77 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 69.8 | 28.4 | 149.9 | -71.7 | 0.9 | 0 | 0 | 0 | 121 | G374 | G374-N376 PolarHBondContact O-N 2.86Š|
| 377 | S | 49.2 | Very low | 78.5 | Confident | 70 Ų | 70 | 71.7 Ų | 71.7 | 49% | 0.49 | 40% | 0.404 | S | S | . | . | trans | -122 | 127.8 | 160.5 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | L379 | S377-L379 PolarHBondContact O-N 3.14Š| ||
| 378 | P | 52.8 | Low | 78.4 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 125.5 | 171.8 | 27.1 | -32.8 | 0 | 0 | 0 | 108.6 | T370 | T370-P378 HydrophobicContact CG2-CB 3.55Å |
| 379 | L | 66.2 | Low | 78.5 | Confident | 93 Ų | 93 | 73 Ų | 73 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -44.2 | -179.4 | -165.8 | 78.3 | 0 | 0 | 0 | 109.9 | I371 S377 F395 F401 | I371-L379 HydrophobicContact CG2-CB 4.5Å; I371-L379 PolarHBondContact O-N 3.01Å; S377-L379 PolarHBondContact O-N 3.14Å; L379-F395 HydrophobicContact CD2-CD1 4.07Å; L379-F395 HydrophobicContact CD2-CE1 3.83Å; L379-F401 HydrophobicContact CD2-CE1 3.62Å; L379-F401 HydrophobicContact CD2-CZ 3.79Å |
| 380 | M | 77.8 | Confident | 78.6 | Confident | 75 Ų | 75 | 73.7 Ų | 73.7 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 154.2 | 179.8 | -75.7 | -173 | 171.6 | 0 | 0 | 110.2 | I371 L392 F395 | I371-M380 PolarHBondContact N-O 2.93Å; M380-L392 HydrophobicContact CB-CD1 3.99Å; M380-L392 HydrophobicContact CB-CD2 3.82Å; M380-L392 HydrophobicContact CB-CG 3.98Å; M380-L392 HydrophobicContact SD-CG 4.47Å; M380-F395 HydrophobicContact CG-CE1 4.43Å; M380-F395 HydrophobicContact SD-CE1 3.8Å; M380-F395 HydrophobicContact SD-CZ 3.93Å |
| 381 | A | 87 | Confident | 78.6 | Confident | 66 Ų | 66 | 75.1 Ų | 75.1 | 55% | 0.545 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I369 | I369-A381 CarbonylContact O-C 3.59Å; I369-A381 WeakPolarHBondContact O-CA 3.37Å |
| 382 | T | 91.3 | Very high | 78.8 | Confident | 41 Ų | 41 | 75.6 Ų | 75.6 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 176.8 | 174.4 | -167.3 | 0 | 0 | 0 | 0 | 110.1 | I369 Y390 L392 | I369-T382 HydrophobicContact CB-CG2 4.18Å; I369-T382 PolarHBondContact N-O 2.88Å; I369-T382 PolarHBondContact O-N 2.96Å; T382-Y390 HydrophobicContact CG2-CD2 3.77Å; T382-Y390 HydrophobicContact CG2-CG 4.13Å; T382-L392 HydrophobicContact CG2-CB 4.37Å; T382-L392 HydrophobicContact CG2-CD1 3.68Å |
| 383 | V | 92.9 | Very high | 78.9 | Confident | 73 Ų | 73 | 72.2 Ų | 72.2 | 44% | 0.442 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147.2 | 175.9 | -67 | 0 | 0 | 0 | 0 | 110.7 | V367 F368 | V367-V383 WeakPolarHBondContact O-CA 3.25Å; F368-V383 HydrophobicContact CD1-CG1 3.83Å; F368-V383 HydrophobicContact CE1-CG1 3.91Å; F368-V383 HydrophobicContact CG-CG1 4.41Å |
| 384 | T | 94.6 | Very high | 79.8 | Confident | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | trans | -69.6 | 143.9 | 174.3 | 53.3 | 0 | 0 | 0 | 0 | 112.3 | V360 H364 G366 V367 I369 R389 Y390 | V360-T384 HydrophobicContact CG2-CG2 3.88Å; H364-T384 WeakPolarHBondContact O-CB 3.32Å; H364-T384 PolarHBondContact O-OG1 2.76Å; G366-T384 PolarHBondContact N-O 2.88Å; G366-T384 PolarHBondContact N-OG1 2.69Å; V367-T384 HydrophobicContact CB-CG2 3.92Å; V367-T384 WeakPolarHBondContact CB-OG1 3.17Å; V367-T384 PolarHBondContact N-OG1 2.83Å; V367-T384 PolarHBondContact O-N 2.84Å; V367-T384 VanDerWaalsContact O-N 3.11Å; I369-T384 HydrophobicContact CD1-CG2 4.36Å; I369-T384 HydrophobicContact CG1-CG2 4.16Å; T384-R389 CarbonylContact C-O 3.56Å; T384-R389 WeakPolarHBondContact CA-O 3.48Å; T384-Y390 HydrophobicContact CG2-CD1 4.08Å | ||
| 385 | D | 93.3 | Very high | 80.9 | Confident | 70 Ų | 70 | 69 Ų | 69 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | trans | -76.7 | -178.2 | 175.5 | 76.6 | 2.4 | 0 | 0 | 0 | 113 | P365 K387 G388 R389 | P365-D385 VanDerWaalsContact CA-O 3.29Å; P365-D385 WeakPolarHBondContact CA-O 3.43Å; D385-K387 PolarHBondContact O-N 2.79Å; D385-K387 VanDerWaalsContact O-N 3.08Å; D385-K387 VanDerWaalsContact OD1-C 3.26Å; D385-K387 VanDerWaalsContact OD1-CA 3.26Å; D385-K387 WeakPolarHBondContact OD1-CA 3.32Å; D385-K387 WeakPolarHBondContact OD1-CB 3.42Å; D385-K387 PolarHBondContact OD1-N 2.86Å; D385-G388 PolarHBondContact O-N 2.73Å; D385-G388 PolarHBondContact OD1-N 2.84Å; D385-R389 PolarHBondContact N-O 3Å; D385-R389 PolarHBondContact OD1-N 3.4Å | ||
| 386 | V | 92.3 | Very high | 82 | Confident | 122 Ų | 122 | 69 Ų | 69 | 74% | 0.739 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -17.4 | 177.4 | -60.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 387 | K | 93.5 | Very high | 83.2 | Confident | 129 Ų | 129 | 65.3 Ų | 65.3 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 7.4 | 175.8 | -59.6 | -177.7 | -176.8 | 172.2 | 0 | 111.9 | D385 R389 | D385-K387 PolarHBondContact O-N 2.79Å; D385-K387 VanDerWaalsContact O-N 3.08Å; D385-K387 VanDerWaalsContact OD1-C 3.26Å; D385-K387 VanDerWaalsContact OD1-CA 3.26Å; D385-K387 WeakPolarHBondContact OD1-CA 3.32Å; D385-K387 WeakPolarHBondContact OD1-CB 3.42Å; D385-K387 PolarHBondContact OD1-N 2.86Å; K387-R389 VanDerWaalsContact C-N 3.3Å; K387-R389 PolarHBondContact O-N 2.85Å |
| 388 | G | 92.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 73.5 | 14.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y359 V360 D385 | Y359-G388 CarbonylContact C-O 3.56Å; Y359-G388 WeakPolarHBondContact CA-O 3.28Å; Y359-G388 WeakPolarHBondContact CB-O 3.41Å; V360-G388 PolarHBondContact N-O 3Å; D385-G388 PolarHBondContact O-N 2.73Å; D385-G388 PolarHBondContact OD1-N 2.84Å |
| 389 | R | 95.5 | Very high | 85 | Confident | 144 Ų | 144 | 66.9 Ų | 66.9 | 54% | 0.543 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 154.8 | -176.4 | -66.8 | -179.3 | -123.1 | -142.1 | -7.7 | 112.2 | G358 T384 D385 K387 | G358-R389 WeakPolarHBondContact O-CA 3.33Å; T384-R389 CarbonylContact C-O 3.56Å; T384-R389 WeakPolarHBondContact CA-O 3.48Å; D385-R389 PolarHBondContact N-O 3Å; D385-R389 PolarHBondContact OD1-N 3.4Å; K387-R389 VanDerWaalsContact C-N 3.3Å; K387-R389 PolarHBondContact O-N 2.85Å |
| 390 | Y | 94.2 | Very high | 85 | Confident | 15 Ų | 15 | 66.4 Ų | 66.4 | 6% | 0.059 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 158.6 | 174.1 | 73.4 | -89.2 | 0 | 0 | 0 | 111.7 | L356 E357 G358 I369 T382 T384 L392 G420 | L356-Y390 HydrophobicContact CD2-CE2 3.97Å; L356-Y390 WeakPolarHBondContact CD2-OH 3.39Å; L356-Y390 HydrophobicContact CG-CE2 4.03Å; E357-Y390 WeakPolarHBondContact CA-O 3.37Å; G358-Y390 VanDerWaalsContact CA-CE1 3.46Å; G358-Y390 PolarHBondContact N-O 2.92Å; G358-Y390 VanDerWaalsContact N-O 3.17Å; G358-Y390 VanDerWaalsContact O-CD1 3.31Å; G358-Y390 WeakPolarHBondContact O-CD1 3.34Å; G358-Y390 PolarHBondContact O-N 2.85Å; I369-Y390 HydrophobicContact CB-CD2 4.43Å; I369-Y390 HydrophobicContact CB-CE2 4.44Å; I369-Y390 HydrophobicContact CD1-CD1 4.27Å; I369-Y390 HydrophobicContact CD1-CE1 4.09Å; I369-Y390 HydrophobicContact CG1-CD1 3.73Å; I369-Y390 HydrophobicContact CG1-CD2 4.38Å; I369-Y390 HydrophobicContact CG1-CE1 3.89Å; I369-Y390 HydrophobicContact CG1-CG 3.98Å; I369-Y390 HydrophobicContact CG2-CD2 4.16Å; I369-Y390 HydrophobicContact CG2-CE1 4.11Å; I369-Y390 HydrophobicContact CG2-CE2 3.71Å; T382-Y390 HydrophobicContact CG2-CD2 3.77Å; T382-Y390 HydrophobicContact CG2-CG 4.13Å; T384-Y390 HydrophobicContact CG2-CD1 4.08Å; Y390-L392 HydrophobicContact CD2-CB 4.5Å; Y390-G420 WeakPolarHBondContact CE1-O 3.5Å; Y390-G420 VanDerWaalsContact OH-C 3.31Å; Y390-G420 WeakPolarHBondContact OH-CA 3.11Å; Y390-G420 PolarHBondContact OH-O 3.49Å |
| 391 | S | 90.6 | Very high | 85 | Confident | 57 Ų | 57 | 64.1 Ų | 64.1 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.3 | 169.3 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | L356 | L356-S391 CarbonylContact O-C 3.57Å; L356-S391 VanDerWaalsContact O-CA 3.28Å; L356-S391 WeakPolarHBondContact O-CA 3.12Å |
| 392 | L | 87.4 | Confident | 84.8 | Confident | 11 Ų | 11 | 66.5 Ų | 66.5 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 132 | -177.9 | -159.9 | 74.5 | 0 | 0 | 0 | 110.3 | F355 L356 I371 M380 T382 Y390 F395 | F355-L392 CarbonylContact C-O 3.52Å; F355-L392 WeakPolarHBondContact CA-O 3.3Å; L356-L392 PolarHBondContact N-O 2.89Å; L356-L392 PolarHBondContact O-N 2.83Å; I371-L392 HydrophobicContact CB-CD2 3.96Å; I371-L392 HydrophobicContact CD1-CD2 3.52Å; I371-L392 HydrophobicContact CD1-CG 4.48Å; I371-L392 HydrophobicContact CG1-CD2 3.5Å; M380-L392 HydrophobicContact CB-CD1 3.99Å; M380-L392 HydrophobicContact CB-CD2 3.82Å; M380-L392 HydrophobicContact CB-CG 3.98Å; M380-L392 HydrophobicContact SD-CG 4.47Å; T382-L392 HydrophobicContact CG2-CB 4.37Å; T382-L392 HydrophobicContact CG2-CD1 3.68Å; Y390-L392 HydrophobicContact CD2-CB 4.5Å; L392-F395 HydrophobicContact CB-CE2 4.36Å; L392-F395 HydrophobicContact CB-CZ 4.46Å; L392-F395 HydrophobicContact CD2-CZ 4.05Å; L392-F395 HydrophobicContact CG-CE2 4.38Å; L392-F395 HydrophobicContact CG-CZ 3.98Å; L392-F395 WeakPolarHBondContact O-CE2 3.28Å |
| 393 | G | 82.7 | Confident | 84.7 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.8 | -172.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 394 | P | 84.4 | Confident | 84.5 | Confident | 15 Ų | 15 | 65.8 Ų | 65.8 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -84.1 | 146.3 | 5.2 | 32.7 | -36.1 | 0 | 0 | 0 | 114.1 | L326 V327 F355 | L326-P394 WeakPolarHBondContact O-CG 3.4Å; V327-P394 HydrophobicContact CG2-CB 3.92Å; V327-P394 HydrophobicContact CG2-CG 4.13Å; F355-P394 HydrophobicContact CE1-CB 4.5Å; F355-P394 HydrophobicContact CE2-CB 4Å; F355-P394 HydrophobicContact CZ-CB 3.93Å; F355-P394 HydrophobicContact CZ-CG 4.41Å |
| 395 | F | 81.4 | Confident | 84.4 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 148.2 | 176.3 | -56.3 | -63.5 | 0 | 0 | 0 | 112.5 | G353 V354 L356 I371 L379 M380 L392 M398 F401 | G353-F395 WeakPolarHBondContact CA-O 3.33Å; V354-F395 PolarHBondContact N-O 2.89Å; V354-F395 PolarHBondContact O-N 3.43Å; L356-F395 HydrophobicContact CB-CE2 4.26Å; I371-F395 HydrophobicContact CD1-CE2 3.61Å; I371-F395 HydrophobicContact CD1-CZ 3.61Å; L379-F395 HydrophobicContact CD2-CD1 4.07Å; L379-F395 HydrophobicContact CD2-CE1 3.83Å; M380-F395 HydrophobicContact CG-CE1 4.43Å; M380-F395 HydrophobicContact SD-CE1 3.8Å; M380-F395 HydrophobicContact SD-CZ 3.93Å; L392-F395 HydrophobicContact CB-CE2 4.36Å; L392-F395 HydrophobicContact CB-CZ 4.46Å; L392-F395 HydrophobicContact CD2-CZ 4.05Å; L392-F395 HydrophobicContact CG-CE2 4.38Å; L392-F395 HydrophobicContact CG-CZ 3.98Å; L392-F395 WeakPolarHBondContact O-CE2 3.28Å; F395-M398 HydrophobicContact CD2-SD 3.91Å; F395-F401 HydrophobicContact CB-CE2 4.06Å; F395-F401 AromaticContact CD1-CE2 3.96Å; F395-F401 HydrophobicContact CD1-CE2 3.96Å; F395-F401 HydrophobicContact CD1-CZ 4.12Å; F395-F401 AromaticContact CG-CE2 3.98Å; F395-F401 HydrophobicContact CG-CE2 3.98Å |
| 396 | R | 73.2 | Confident | 84.3 | Confident | 208 Ų | 208 | 66 Ų | 66 | 79% | 0.785 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -72.5 | -39.4 | 176.1 | -171.1 | 175.4 | 179.8 | 174.3 | 0.9 | 112.9 | V327 | V327-R396 HydrophobicContact CG1-CB 4.4Š|
| 397 | C | 73.7 | Confident | 84.1 | Confident | 65 Ų | 65 | 62.5 Ų | 62.5 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | trans | -155.3 | 138.5 | -179.7 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | F401 | C397-F401 WeakPolarHBondContact O-CE2 3.34Š| ||
| 398 | M | 71.5 | Confident | 83.6 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 19% | 0.187 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -85.6 | -15.6 | -176.8 | -76.5 | -72.7 | -80.5 | 0 | 0 | 114.2 | V354 L356 F395 S400 F401 F419 | V354-M398 HydrophobicContact CG1-CG 4.37Å; L356-M398 HydrophobicContact CB-CE 3.6Å; L356-M398 HydrophobicContact CB-SD 4.15Å; L356-M398 HydrophobicContact CD1-CE 3.42Å; L356-M398 VanDerWaalsContact CD1-CE 3.42Å; L356-M398 HydrophobicContact CD2-CE 4.31Å; L356-M398 HydrophobicContact CG-CE 3.91Å; F395-M398 HydrophobicContact CD2-SD 3.91Å; M398-S400 PolarHBondContact O-N 2.81Å; M398-F401 PolarHBondContact O-N 2.8Å; M398-F401 HydrophobicContact SD-CD2 4.38Å; M398-F419 HydrophobicContact CE-CD1 3.62Å; M398-F419 HydrophobicContact CE-CE1 3.46Å; M398-F419 VanDerWaalsContact CE-CE1 3.46Å |
| 399 | N | 67.9 | Low | 83 | Confident | 153 Ų | 153 | 66.9 Ų | 66.9 | 82% | 0.818 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 5.8 | -161.5 | -59.7 | 5.6 | 0 | 0 | 0 | 115.2 | ||
| 400 | S | 67.4 | Low | 82.6 | Confident | 82 Ų | 82 | 63 Ų | 63 | 57% | 0.573 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.1 | 15.7 | -173 | 63.1 | 0 | 0 | 0 | 0 | 114.2 | M398 | M398-S400 PolarHBondContact O-N 2.81Š|
| 401 | F | 76.8 | Confident | 82.1 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 12% | 0.118 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 139.8 | -173.8 | -66.3 | -51.4 | 0 | 0 | 0 | 112.3 | I371 R372 L379 F395 C397 M398 F419 | I371-F401 HydrophobicContact CG2-CB 3.76Å; I371-F401 HydrophobicContact CG2-CD1 3.55Å; I371-F401 HydrophobicContact CG2-CD2 4.41Å; I371-F401 HydrophobicContact CG2-CE1 4.29Å; I371-F401 HydrophobicContact CG2-CG 3.65Å; R372-F401 WeakPolarHBondContact O-CA 3.44Å; L379-F401 HydrophobicContact CD2-CE1 3.62Å; L379-F401 HydrophobicContact CD2-CZ 3.79Å; F395-F401 HydrophobicContact CB-CE2 4.06Å; F395-F401 AromaticContact CD1-CE2 3.96Å; F395-F401 HydrophobicContact CD1-CE2 3.96Å; F395-F401 HydrophobicContact CD1-CZ 4.12Å; F395-F401 AromaticContact CG-CE2 3.98Å; F395-F401 HydrophobicContact CG-CE2 3.98Å; C397-F401 WeakPolarHBondContact O-CE2 3.34Å; M398-F401 PolarHBondContact O-N 2.8Å; M398-F401 HydrophobicContact SD-CD2 4.38Å; F401-F419 VanDerWaalsContact O-CZ 3.29Å; F401-F419 WeakPolarHBondContact O-CZ 3.49Å |
| 402 | D | 82.7 | Confident | 82 | Confident | 117 Ų | 117 | 66.7 Ų | 66.7 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.7 | 164 | -68.6 | -39 | 0 | 0 | 0 | 108.5 | I371 R372 | I371-D402 WeakPolarHBondContact CA-O 3.28Å; R372-D402 PolarHBondContact N-O 2.83Å; R372-D402 PolarHBondContact O-N 2.94Å |
| 403 | V | 89 | Confident | 82 | Confident | 22 Ų | 22 | 70 Ų | 70 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.6 | 177.6 | -167.2 | 0 | 0 | 0 | 0 | 108 | L356 I369 I371 F419 F422 | L356-V403 HydrophobicContact CD2-CG1 4.18Å; L356-V403 HydrophobicContact CD2-CG2 3.73Å; I369-V403 HydrophobicContact CG2-CG1 3.73Å; I371-V403 HydrophobicContact CD1-CG2 4.48Å; I371-V403 HydrophobicContact CG1-CG1 4.42Å; I371-V403 HydrophobicContact CG1-CG2 4.17Å; V403-F419 HydrophobicContact CG2-CD1 4.46Å; V403-F419 HydrophobicContact CG2-CE1 3.67Å; V403-F419 HydrophobicContact CG2-CE2 4.15Å; V403-F419 HydrophobicContact CG2-CZ 3.49Å; V403-F419 VanDerWaalsContact CG2-CZ 3.49Å; V403-F422 HydrophobicContact CB-CZ 4.09Å; V403-F422 HydrophobicContact CG1-CE2 3.91Å; V403-F422 HydrophobicContact CG1-CZ 3.8Å; V403-F422 WeakPolarHBondContact O-CZ 3.33Å |
| 404 | E | 89.6 | Confident | 82.4 | Confident | 77 Ų | 77 | 73.5 Ų | 73.5 | 36% | 0.36 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.6 | 176.6 | -67.7 | 177.2 | -179.5 | 0 | 0 | 109.9 | I369 T370 R372 | I369-E404 WeakPolarHBondContact CA-O 3.48Å; T370-E404 PolarHBondContact N-O 2.92Å; T370-E404 PolarHBondContact O-N 3.1Å; R372-E404 VanDerWaalsContact CZ-CD 3.45Å; R372-E404 IonicContact CZ-OE1 3.32Å; R372-E404 IonicContact CZ-OE2 2.71Å; R372-E404 IonicContact NE-OE1 3.85Å; R372-E404 IonicContact NE-OE2 3.91Å; R372-E404 PolarHBondContact NE-OE2 3.25Å; R372-E404 IonicContact NH1-OE1 3.75Å; R372-E404 PolarHBondContact NH1-OE1 3.36Å; R372-E404 IonicContact NH1-OE2 3.91Å; R372-E404 PolarHBondContact NH1-OE2 3.36Å; R372-E404 IonicContact NH2-OE1 3.92Å; R372-E404 IonicContact NH2-OE2 3.91Å; R372-E404 PolarHBondContact NH2-OE2 3.12Å |
| 405 | A | 92 | Very high | 82.8 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 16% | 0.157 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 140.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V367 F368 I369 F412 F422 | V367-A405 HydrophobicContact CG1-CB 4Å; F368-A405 CarbonylContact O-C 3.59Å; F368-A405 WeakPolarHBondContact O-CA 3.41Å; I369-A405 HydrophobicContact CD1-CB 3.65Å; A405-F412 HydrophobicContact CB-CB 3.82Å; A405-F412 HydrophobicContact CB-CD1 3.89Å; A405-F412 HydrophobicContact CB-CD2 4.04Å; A405-F412 HydrophobicContact CB-CG 3.62Å; A405-F412 WeakPolarHBondContact O-CD2 3.4Å; A405-F422 HydrophobicContact CB-CB 4.48Å; A405-F422 HydrophobicContact CB-CD1 3.96Å; A405-F422 HydrophobicContact CB-CD2 3.69Å; A405-F422 HydrophobicContact CB-CE1 4.06Å; A405-F422 HydrophobicContact CB-CE2 3.8Å; A405-F422 HydrophobicContact CB-CG 3.78Å; A405-F422 HydrophobicContact CB-CZ 3.98Å |
| 406 | S | 90.6 | Very high | 83 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 43% | 0.427 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 141.2 | 178.9 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | F368 | F368-S406 WeakPolarHBondContact CB-OG 3.48Å; F368-S406 PolarHBondContact N-O 3.27Å; F368-S406 PolarHBondContact O-N 3.09Å; F368-S406 PolarHBondContact O-OG 2.79Å |
| 407 | L | 89.8 | Confident | 83.7 | Confident | 48 Ų | 48 | 73.2 Ų | 73.2 | 25% | 0.251 | 43% | 0.43 | S | S | . | . | trans | -158.8 | 135.9 | 174.9 | -177.5 | 65 | 0 | 0 | 0 | 107 | V367 G409 Y410 F412 | V367-L407 HydrophobicContact CG2-CB 4.42Å; V367-L407 HydrophobicContact CG2-CD2 4.02Å; L407-G409 PolarHBondContact O-N 2.87Å; L407-Y410 HydrophobicContact CB-CD2 4.36Å; L407-Y410 HydrophobicContact CD2-CD2 3.58Å; L407-Y410 HydrophobicContact CD2-CE2 3.9Å; L407-Y410 HydrophobicContact CD2-CG 4.23Å; L407-Y410 HydrophobicContact CG-CD2 3.89Å; L407-Y410 HydrophobicContact CG-CE2 4.49Å; L407-Y410 PolarHBondContact O-N 2.96Å; L407-Y410 VanDerWaalsContact O-N 3.13Å; L407-F412 HydrophobicContact CB-CE2 3.63Å; L407-F412 HydrophobicContact CB-CZ 3.56Å; L407-F412 HydrophobicContact CD2-CZ 4.44Å | ||
| 408 | E | 82 | Confident | 84.5 | Confident | 185 Ų | 185 | 74.1 Ų | 74.1 | 86% | 0.864 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 131.9 | -178.3 | -173 | -179.3 | 176 | 0 | 0 | 111.4 | Y410 | E408-Y410 VanDerWaalsContact C-N 3.27Å; E408-Y410 WeakPolarHBondContact O-CD2 2.96Å; E408-Y410 PolarHBondContact O-N 3.36Å |
| 409 | G | 80.9 | Confident | 85.3 | Confident | 36 Ų | 36 | 77.5 Ų | 77.5 | 37% | 0.371 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 7.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L407 L427 | L407-G409 PolarHBondContact O-N 2.87Å; G409-L427 WeakPolarHBondContact O-CB 3.33Å; G409-L427 PolarHBondContact O-N 2.69Å |
| 410 | Y | 86.1 | Confident | 86.3 | Confident | 63 Ų | 63 | 70.5 Ų | 70.5 | 25% | 0.247 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 149.5 | 175.9 | -67.9 | -94.4 | 0 | 0 | 0 | 112.1 | H364 L407 E408 A424 H425 K426 | H364-Y410 AromaticContact NE2-CE1 3.82Å; H364-Y410 AromaticContact NE2-CZ 3.79Å; L407-Y410 HydrophobicContact CB-CD2 4.36Å; L407-Y410 HydrophobicContact CD2-CD2 3.58Å; L407-Y410 HydrophobicContact CD2-CE2 3.9Å; L407-Y410 HydrophobicContact CD2-CG 4.23Å; L407-Y410 HydrophobicContact CG-CD2 3.89Å; L407-Y410 HydrophobicContact CG-CE2 4.49Å; L407-Y410 PolarHBondContact O-N 2.96Å; L407-Y410 VanDerWaalsContact O-N 3.13Å; E408-Y410 VanDerWaalsContact C-N 3.27Å; E408-Y410 WeakPolarHBondContact O-CD2 2.96Å; E408-Y410 PolarHBondContact O-N 3.36Å; Y410-A424 HydrophobicContact CD1-CB 4.27Å; Y410-H425 CarbonylContact C-O 3.53Å; Y410-H425 WeakPolarHBondContact CA-O 3.39Å; Y410-H425 WeakPolarHBondContact CD1-O 3.45Å; Y410-K426 HydrophobicContact CD1-CB 4.37Å; Y410-K426 HydrophobicContact CE1-CB 4.09Å; Y410-K426 HydrophobicContact CE1-CG 4.27Å |
| 411 | W | 83.4 | Confident | 87.6 | Confident | 131 Ų | 131 | 66.9 Ų | 66.9 | 50% | 0.496 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 142.4 | 165.1 | 163.7 | 67.3 | 0 | 0 | 0 | 109.3 | E413 H425 L427 | W411-E413 HydrophobicContact CH2-CB 3.63Å; W411-E413 HydrophobicContact CH2-CG 3.89Å; W411-E413 HydrophobicContact CZ2-CB 3.74Å; W411-E413 HydrophobicContact CZ2-CG 4.07Å; W411-E413 HydrophobicContact CZ3-CB 4.32Å; W411-H425 HydrophobicContact CE3-CB 3.66Å; W411-H425 AromaticContact CE3-CD2 3.2Å; W411-H425 AromaticContact CE3-CG 3.57Å; W411-H425 AromaticContact CE3-NE2 3.99Å; W411-H425 AromaticContact CH2-CD2 3.92Å; W411-H425 AromaticContact CH2-NE2 3.94Å; W411-H425 HydrophobicContact CZ3-CB 4.22Å; W411-H425 AromaticContact CZ3-CD2 3.04Å; W411-H425 WeakPolarHBondContact CZ3-CD2 3.37Å; W411-H425 AromaticContact CZ3-CG 3.62Å; W411-H425 AromaticContact CZ3-NE2 3.32Å; W411-H425 VanDerWaalsContact CZ3-NE2 3.32Å; W411-H425 WeakPolarHBondContact CZ3-NE2 3.32Å; W411-H425 PolarHBondContact N-O 3.37Å; W411-H425 PolarHBondContact O-N 3.34Å; W411-L427 HydrophobicContact CB-CD2 4.03Å |
| 412 | F | 89.7 | Confident | 88.5 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.3 | -176 | -66.2 | -88.3 | 0 | 0 | 0 | 111.4 | V360 V367 A405 L407 F422 I423 A424 | V360-F412 HydrophobicContact CG1-CD1 4.28Å; V360-F412 HydrophobicContact CG1-CE1 3.78Å; V360-F412 HydrophobicContact CG2-CE1 4.35Å; V367-F412 HydrophobicContact CB-CE1 4.44Å; V367-F412 HydrophobicContact CB-CZ 4.31Å; V367-F412 HydrophobicContact CG1-CD1 4.34Å; V367-F412 HydrophobicContact CG1-CE1 3.6Å; V367-F412 HydrophobicContact CG1-CE2 4.13Å; V367-F412 HydrophobicContact CG1-CZ 3.49Å; V367-F412 VanDerWaalsContact CG1-CZ 3.49Å; V367-F412 HydrophobicContact CG2-CE1 3.94Å; V367-F412 HydrophobicContact CG2-CZ 3.84Å; A405-F412 HydrophobicContact CB-CB 3.82Å; A405-F412 HydrophobicContact CB-CD1 3.89Å; A405-F412 HydrophobicContact CB-CD2 4.04Å; A405-F412 HydrophobicContact CB-CG 3.62Å; A405-F412 WeakPolarHBondContact O-CD2 3.4Å; L407-F412 HydrophobicContact CB-CE2 3.63Å; L407-F412 HydrophobicContact CB-CZ 3.56Å; L407-F412 HydrophobicContact CD2-CZ 4.44Å; F412-F422 HydrophobicContact CB-CB 4.23Å; F412-F422 HydrophobicContact CB-CD1 4.09Å; F412-F422 HydrophobicContact CB-CG 4.39Å; F412-F422 HydrophobicContact CD1-CB 4.05Å; F412-I423 CarbonylContact C-O 3.53Å; F412-I423 VanDerWaalsContact CA-O 3.31Å; F412-I423 WeakPolarHBondContact CA-O 3.28Å; F412-A424 HydrophobicContact CD1-CB 3.99Å; F412-A424 HydrophobicContact CE1-CB 3.6Å; F412-A424 HydrophobicContact CZ-CB 4.32Å |
| 413 | E | 87.2 | Confident | 89 | Confident | 80 Ų | 80 | 63.2 Ų | 63.2 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.6 | 176.9 | -172.1 | -179.9 | -179.6 | 0 | 0 | 110.2 | W411 F422 I423 H425 | W411-E413 HydrophobicContact CH2-CB 3.63Å; W411-E413 HydrophobicContact CH2-CG 3.89Å; W411-E413 HydrophobicContact CZ2-CB 3.74Å; W411-E413 HydrophobicContact CZ2-CG 4.07Å; W411-E413 HydrophobicContact CZ3-CB 4.32Å; E413-F422 CarbonylContact O-C 3.53Å; E413-F422 VanDerWaalsContact O-CA 3.26Å; E413-F422 WeakPolarHBondContact O-CA 3.33Å; E413-I423 HydrophobicContact CB-CB 4.36Å; E413-I423 PolarHBondContact N-O 2.82Å; E413-I423 PolarHBondContact O-N 3.02Å; E413-H425 IonicContact OE2-CE1 2.7Å; E413-H425 IonicContact OE2-NE2 3.61Å; E413-H425 PolarHBondContact OE2-NE2 3.12Å; E413-H425 VanDerWaalsContact OE2-NE2 3.11Å |
| 414 | P | 90.8 | Very high | 89 | Confident | 91 Ų | 91 | 62.7 Ų | 62.7 | 59% | 0.591 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 135.5 | 175.7 | -20.7 | 31.8 | 0 | 0 | 0 | 112.5 | F422 | P414-F422 HydrophobicContact CB-CD1 4.44Å; P414-F422 HydrophobicContact CB-CE1 4.4Å; P414-F422 HydrophobicContact CG-CD1 4.29Å; P414-F422 HydrophobicContact CG-CE1 4.1Å |
| 415 | I | 92.1 | Very high | 88.8 | Confident | 36 Ų | 36 | 61.4 Ų | 61.4 | 19% | 0.185 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 122.3 | 177.1 | -61.4 | 178.4 | 0 | 0 | 0 | 109.9 | Y359 G417 E418 S421 I423 | Y359-I415 HydrophobicContact CE2-CD1 4.23Å; I415-G417 PolarHBondContact O-N 3.27Å; I415-E418 HydrophobicContact CB-CB 4.27Å; I415-E418 HydrophobicContact CG2-CB 4.07Å; I415-E418 HydrophobicContact CG2-CG 4.25Å; I415-E418 PolarHBondContact O-N 2.8Å; I415-S421 PolarHBondContact N-O 2.75Å; I415-I423 HydrophobicContact CD1-CG1 4.01Å; I415-I423 HydrophobicContact CG1-CD1 4.25Å; I415-I423 HydrophobicContact CG1-CG1 3.76Å |
| 416 | A | 87.6 | Confident | 88.4 | Confident | 100 Ų | 100 | 65.9 Ų | 65.9 | 83% | 0.826 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 124.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E418 | A416-E418 VanDerWaalsContact C-N 3.35Š|
| 417 | G | 87.1 | Confident | 87.9 | Confident | 88 Ų | 88 | 65.5 Ų | 65.5 | 91% | 0.907 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | -11.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I415 | I415-G417 PolarHBondContact O-N 3.27Š|
| 418 | E | 90 | Very high | 87.6 | Confident | 84 Ų | 84 | 63.3 Ų | 63.3 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -120.2 | 85.2 | 179.6 | -64.8 | -176.2 | -158.6 | 0 | 0 | 110 | Y359 I415 A416 G420 S421 | Y359-E418 WeakPolarHBondContact CE1-OE2 3.35Å; Y359-E418 PolarHBondContact OH-OE2 3.19Å; I415-E418 HydrophobicContact CB-CB 4.27Å; I415-E418 HydrophobicContact CG2-CB 4.07Å; I415-E418 HydrophobicContact CG2-CG 4.25Å; I415-E418 PolarHBondContact O-N 2.8Å; A416-E418 VanDerWaalsContact C-N 3.35Å; E418-G420 PolarHBondContact O-N 3.31Å; E418-S421 PolarHBondContact O-N 3.21Å |
| 419 | F | 88.2 | Confident | 87.8 | Confident | 109 Ų | 109 | 56.9 Ų | 56.9 | 48% | 0.478 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 119.6 | -176.4 | -177 | -102.4 | 0 | 0 | 0 | 111.6 | L356 M398 F401 V403 | L356-F419 HydrophobicContact CD1-CD1 3.93Å; L356-F419 HydrophobicContact CD1-CE1 4.31Å; L356-F419 WeakPolarHBondContact CD1-O 3.31Å; M398-F419 HydrophobicContact CE-CD1 3.62Å; M398-F419 HydrophobicContact CE-CE1 3.46Å; M398-F419 VanDerWaalsContact CE-CE1 3.46Å; F401-F419 VanDerWaalsContact O-CZ 3.29Å; F401-F419 WeakPolarHBondContact O-CZ 3.49Å; V403-F419 HydrophobicContact CG2-CD1 4.46Å; V403-F419 HydrophobicContact CG2-CE1 3.67Å; V403-F419 HydrophobicContact CG2-CE2 4.15Å; V403-F419 HydrophobicContact CG2-CZ 3.49Å; V403-F419 VanDerWaalsContact CG2-CZ 3.49Å |
| 420 | G | 90.1 | Very high | 88.2 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 6% | 0.062 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -5.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y390 E418 F422 | Y390-G420 WeakPolarHBondContact CE1-O 3.5Å; Y390-G420 VanDerWaalsContact OH-C 3.31Å; Y390-G420 WeakPolarHBondContact OH-CA 3.11Å; Y390-G420 PolarHBondContact OH-O 3.49Å; E418-G420 PolarHBondContact O-N 3.31Å; G420-F422 VanDerWaalsContact O-CD2 3.23Å; G420-F422 WeakPolarHBondContact O-CD2 3.33Å; G420-F422 WeakPolarHBondContact O-CE2 3.3Å |
| 421 | S | 94.7 | Very high | 88.4 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | trans | -94.3 | 144.3 | 174.9 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | Y359 I415 E418 | Y359-S421 VanDerWaalsContact CD1-OG 3.32Å; Y359-S421 WeakPolarHBondContact CD1-OG 3.26Å; Y359-S421 VanDerWaalsContact CE1-OG 3.31Å; Y359-S421 WeakPolarHBondContact CE1-OG 3.04Å; Y359-S421 PolarHBondContact N-OG 2.99Å; Y359-S421 CarbonylContact O-C 3.56Å; Y359-S421 VanDerWaalsContact O-CA 3.23Å; Y359-S421 WeakPolarHBondContact O-CA 3.35Å; I415-S421 PolarHBondContact N-O 2.75Å; E418-S421 PolarHBondContact O-N 3.21Å | ||
| 422 | F | 95.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 150.6 | -173.4 | -58.7 | -89.9 | 0 | 0 | 0 | 113.5 | Y359 V360 S361 I369 V403 A405 F412 E413 P414 G420 | Y359-F422 PolarHBondContact O-N 3.42Å; V360-F422 CarbonylContact C-O 3.54Å; V360-F422 WeakPolarHBondContact CA-O 3.19Å; V360-F422 HydrophobicContact CG2-CB 4.45Å; S361-F422 PolarHBondContact N-O 3.03Å; I369-F422 HydrophobicContact CD1-CD2 4.31Å; I369-F422 HydrophobicContact CD1-CE2 4.22Å; V403-F422 HydrophobicContact CB-CZ 4.09Å; V403-F422 HydrophobicContact CG1-CE2 3.91Å; V403-F422 HydrophobicContact CG1-CZ 3.8Å; V403-F422 WeakPolarHBondContact O-CZ 3.33Å; A405-F422 HydrophobicContact CB-CB 4.48Å; A405-F422 HydrophobicContact CB-CD1 3.96Å; A405-F422 HydrophobicContact CB-CD2 3.69Å; A405-F422 HydrophobicContact CB-CE1 4.06Å; A405-F422 HydrophobicContact CB-CE2 3.8Å; A405-F422 HydrophobicContact CB-CG 3.78Å; A405-F422 HydrophobicContact CB-CZ 3.98Å; F412-F422 HydrophobicContact CB-CB 4.23Å; F412-F422 HydrophobicContact CB-CD1 4.09Å; F412-F422 HydrophobicContact CB-CG 4.39Å; F412-F422 HydrophobicContact CD1-CB 4.05Å; E413-F422 CarbonylContact O-C 3.53Å; E413-F422 VanDerWaalsContact O-CA 3.26Å; E413-F422 WeakPolarHBondContact O-CA 3.33Å; P414-F422 HydrophobicContact CB-CD1 4.44Å; P414-F422 HydrophobicContact CB-CE1 4.4Å; P414-F422 HydrophobicContact CG-CD1 4.29Å; P414-F422 HydrophobicContact CG-CE1 4.1Å; G420-F422 VanDerWaalsContact O-CD2 3.23Å; G420-F422 WeakPolarHBondContact O-CD2 3.33Å; G420-F422 WeakPolarHBondContact O-CE2 3.3Å |
| 423 | I | 92.6 | Very high | 89.2 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.6 | 165.7 | -58.1 | 171.3 | 0 | 0 | 0 | 109 | S361 F412 E413 I415 | S361-I423 CarbonylContact O-C 3.45Å; S361-I423 WeakPolarHBondContact O-CA 3.47Å; F412-I423 CarbonylContact C-O 3.53Å; F412-I423 VanDerWaalsContact CA-O 3.31Å; F412-I423 WeakPolarHBondContact CA-O 3.28Å; E413-I423 HydrophobicContact CB-CB 4.36Å; E413-I423 PolarHBondContact N-O 2.82Å; E413-I423 PolarHBondContact O-N 3.02Å; I415-I423 HydrophobicContact CD1-CG1 4.01Å; I415-I423 HydrophobicContact CG1-CD1 4.25Å; I415-I423 HydrophobicContact CG1-CG1 3.76Å |
| 424 | A | 90 | Very high | 89.6 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 128.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V360 S361 Y410 F412 | V360-A424 HydrophobicContact CG1-CB 3.84Å; S361-A424 PolarHBondContact O-N 3.15Å; Y410-A424 HydrophobicContact CD1-CB 4.27Å; F412-A424 HydrophobicContact CD1-CB 3.99Å; F412-A424 HydrophobicContact CE1-CB 3.6Å; F412-A424 HydrophobicContact CZ-CB 4.32Å |
| 425 | H | 85.3 | Confident | 89.9 | Confident | 50 Ų | 50 | 41 Ų | 41 | 23% | 0.231 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 141.2 | 178.3 | -61.2 | -88.4 | 0 | 0 | 0 | 110.4 | Y410 W411 E413 | Y410-H425 CarbonylContact C-O 3.53Å; Y410-H425 WeakPolarHBondContact CA-O 3.39Å; Y410-H425 WeakPolarHBondContact CD1-O 3.45Å; W411-H425 HydrophobicContact CE3-CB 3.66Å; W411-H425 AromaticContact CE3-CD2 3.2Å; W411-H425 AromaticContact CE3-CG 3.57Å; W411-H425 AromaticContact CE3-NE2 3.99Å; W411-H425 AromaticContact CH2-CD2 3.92Å; W411-H425 AromaticContact CH2-NE2 3.94Å; W411-H425 HydrophobicContact CZ3-CB 4.22Å; W411-H425 AromaticContact CZ3-CD2 3.04Å; W411-H425 WeakPolarHBondContact CZ3-CD2 3.37Å; W411-H425 AromaticContact CZ3-CG 3.62Å; W411-H425 AromaticContact CZ3-NE2 3.32Å; W411-H425 VanDerWaalsContact CZ3-NE2 3.32Å; W411-H425 WeakPolarHBondContact CZ3-NE2 3.32Å; W411-H425 PolarHBondContact N-O 3.37Å; W411-H425 PolarHBondContact O-N 3.34Å; E413-H425 IonicContact OE2-CE1 2.7Å; E413-H425 IonicContact OE2-NE2 3.61Å; E413-H425 PolarHBondContact OE2-NE2 3.12Å; E413-H425 VanDerWaalsContact OE2-NE2 3.11Å |
| 426 | K | 82.7 | Confident | 89.9 | Confident | 112 Ų | 112 | 40.2 Ų | 40.2 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 127.7 | -174 | -168.5 | 177.9 | -179.1 | -176.3 | 0 | 111.8 | Y410 E499 G500 | Y410-K426 HydrophobicContact CD1-CB 4.37Å; Y410-K426 HydrophobicContact CE1-CB 4.09Å; Y410-K426 HydrophobicContact CE1-CG 4.27Å; K426-E499 PolarHBondContact N-OE1 2.93Å; K426-E499 WeakPolarHBondContact O-CG 3.38Å; K426-G500 PolarHBondContact O-N 3.14Å |
| 427 | L | 80.5 | Confident | 90.1 | Very high | 53 Ų | 53 | 39.3 Ų | 39.3 | 28% | 0.277 | 23% | 0.225 | S | C | . | . | trans | -76.6 | 153.1 | -179 | -62.5 | 172 | 0 | 0 | 0 | 112.9 | G409 W411 | G409-L427 WeakPolarHBondContact O-CB 3.33Å; G409-L427 PolarHBondContact O-N 2.69Å; W411-L427 HydrophobicContact CB-CD2 4.03Å | ||
| 428 | S | 83.4 | Confident | 90.2 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 164.6 | -175 | -39.8 | 0 | 0 | 0 | 0 | 112.8 | G471 I472 V497 D498 E499 G500 S501 | S428-G471 PolarHBondContact O-N 3.05Å; S428-G471 VanDerWaalsContact O-N 3.17Å; S428-I472 VanDerWaalsContact CB-O 3.24Å; S428-I472 WeakPolarHBondContact CB-O 3.49Å; S428-I472 PolarHBondContact N-O 3.19Å; S428-I472 PolarHBondContact O-N 3.02Å; S428-I472 VanDerWaalsContact O-N 3.12Å; S428-I472 PolarHBondContact OG-O 2.87Å; S428-V497 VanDerWaalsContact CB-CG1 3.44Å; S428-D498 PolarHBondContact OG-O 3.17Å; S428-E499 WeakPolarHBondContact OG-CA 3.48Å; S428-G500 PolarHBondContact OG-N 2.81Å; S428-G500 VanDerWaalsContact OG-N 3.08Å; S428-S501 WeakPolarHBondContact CB-O 3.38Å |
| 429 | E | 85.2 | Confident | 90.3 | Very high | 51 Ų | 51 | 40.1 Ų | 40.1 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130.6 | -179.7 | -60 | -173.5 | 150.7 | 0 | 0 | 112.3 | S469 K470 S501 R502 A503 | E429-S469 WeakPolarHBondContact CA-O 3.28Å; E429-K470 HydrophobicContact CG-CG 4.36Å; E429-S501 PolarHBondContact N-O 3.03Å; E429-R502 HydrophobicContact CB-CG 4.43Å; E429-R502 WeakPolarHBondContact O-CA 3.38Å; E429-R502 IonicContact OE2-CZ 2.87Å; E429-R502 IonicContact OE2-NE 3.79Å; E429-R502 PolarHBondContact OE2-NE 3.13Å; E429-R502 IonicContact OE2-NH2 2.69Å; E429-R502 PolarHBondContact OE2-NH2 2.7Å; E429-A503 PolarHBondContact O-N 3.44Å |
| 430 | L | 89.4 | Confident | 90.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.1 | 170.4 | 178.7 | 62.2 | 0 | 0 | 0 | 110.7 | V432 I449 S469 I472 V479 I495 V497 A503 V505 | L430-V432 HydrophobicContact CG-CG2 4.42Å; L430-I449 HydrophobicContact CD2-CD1 4Å; L430-I449 HydrophobicContact CD2-CG1 4.26Å; L430-I449 HydrophobicContact CD2-CG2 3.88Å; L430-S469 PolarHBondContact N-O 3.24Å; L430-S469 PolarHBondContact O-N 3.18Å; L430-I472 HydrophobicContact CB-CD1 3.55Å; L430-I472 HydrophobicContact CD2-CD1 4.29Å; L430-V479 HydrophobicContact CD2-CG2 4.28Å; L430-I495 HydrophobicContact CD1-CG1 4.2Å; L430-I495 HydrophobicContact CD1-CG2 4.06Å; L430-I495 HydrophobicContact CD2-CG2 4.21Å; L430-V497 HydrophobicContact CD1-CG2 4.45Å; L430-A503 HydrophobicContact CD1-CB 3.85Å; L430-V505 HydrophobicContact CD1-CG2 4.22Å |
| 431 | I | 91.6 | Very high | 90.8 | Very high | 25 Ų | 25 | 41.9 Ų | 41.9 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.3 | 177.6 | -55.4 | 179.9 | 0 | 0 | 0 | 109.5 | I467 I468 R502 A503 T504 V505 | I431-I467 CarbonylContact C-O 3.59Å; I431-I467 WeakPolarHBondContact CA-O 3.3Å; I431-I468 HydrophobicContact CG1-CG1 4.37Å; I431-I468 HydrophobicContact CG1-CG2 4.43Å; I431-R502 HydrophobicContact CD1-CG 4.01Å; I431-R502 HydrophobicContact CG1-CG 4.4Å; I431-A503 PolarHBondContact N-O 3.05Å; I431-T504 HydrophobicContact CB-CG2 4.37Å; I431-T504 HydrophobicContact CG2-CG2 4.48Å; I431-T504 CarbonylContact O-C 3.45Å; I431-T504 VanDerWaalsContact O-CA 3.24Å; I431-T504 WeakPolarHBondContact O-CA 3.44Å; I431-V505 PolarHBondContact O-N 3.5Å |
| 432 | V | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.8 | 173 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | L430 V434 V447 I449 R466 I467 V479 V505 L507 | L430-V432 HydrophobicContact CG-CG2 4.42Å; V432-V434 HydrophobicContact CG1-CG2 4.25Å; V432-V447 HydrophobicContact CB-CG1 4.38Å; V432-V447 HydrophobicContact CG1-CG1 4.03Å; V432-V447 HydrophobicContact CG1-CG2 4.38Å; V432-V447 HydrophobicContact CG2-CG1 4.25Å; V432-I449 HydrophobicContact CG2-CD1 4.3Å; V432-R466 CarbonylContact O-C 3.59Å; V432-R466 VanDerWaalsContact O-CA 3.27Å; V432-R466 WeakPolarHBondContact O-CA 3.03Å; V432-I467 HydrophobicContact CB-CB 4.44Å; V432-I467 PolarHBondContact N-O 3.31Å; V432-I467 PolarHBondContact O-N 3.48Å; V432-V479 HydrophobicContact CG1-CG1 3.85Å; V432-V479 HydrophobicContact CG2-CG1 3.84Å; V432-V479 HydrophobicContact CG2-CG2 4.37Å; V432-V505 CarbonylContact C-O 3.58Å; V432-V505 WeakPolarHBondContact CA-O 3.41Å; V432-L507 HydrophobicContact CG1-CD1 4.29Å |
| 433 | Q | 94.9 | Very high | 90.7 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 18% | 0.178 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.9 | 176.5 | -179.5 | 78 | 60.6 | 0 | 0 | 109.3 | D464 G465 V505 K506 L507 | Q433-D464 PolarHBondContact NE2-O 2.6Å; Q433-G465 CarbonylContact C-O 3.55Å; Q433-G465 WeakPolarHBondContact CA-O 3.31Å; Q433-G465 PolarHBondContact NE2-O 2.93Å; Q433-V505 PolarHBondContact N-O 3.34Å; Q433-K506 HydrophobicContact CB-CG 4.23Å; Q433-K506 CarbonylContact O-C 3.58Å; Q433-K506 VanDerWaalsContact O-CA 3.32Å; Q433-K506 WeakPolarHBondContact O-CA 3.27Å; Q433-L507 PolarHBondContact O-N 2.98Å |
| 434 | V | 96.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.6 | 178.1 | -167.6 | 0 | 0 | 0 | 0 | 109.5 | V432 L442 V445 V447 T461 G465 F488 L507 | V432-V434 HydrophobicContact CG1-CG2 4.25Å; V434-L442 HydrophobicContact CG1-CB 4.24Å; V434-L442 HydrophobicContact CG1-CD1 4.33Å; V434-L442 PolarHBondContact O-N 3.22Å; V434-L442 VanDerWaalsContact O-N 3.09Å; V434-V445 HydrophobicContact CG1-CB 4.47Å; V434-V445 HydrophobicContact CG1-CG1 4.28Å; V434-V445 HydrophobicContact CG1-CG2 4.12Å; V434-V447 HydrophobicContact CG2-CG2 4.13Å; V434-T461 HydrophobicContact CB-CG2 4.1Å; V434-T461 HydrophobicContact CG2-CG2 3.68Å; V434-G465 PolarHBondContact N-O 2.73Å; V434-F488 HydrophobicContact CG1-CD1 3.81Å; V434-F488 HydrophobicContact CG1-CE1 3.35Å; V434-F488 HydrophobicContact CG1-CZ 4.32Å; V434-L507 WeakPolarHBondContact CA-O 3.2Å; V434-L507 HydrophobicContact CG1-CB 4.45Å; V434-L507 HydrophobicContact CG2-CB 4.37Å; V434-L507 HydrophobicContact CG2-CD1 4.49Å |
| 435 | A | 95.6 | Very high | 90.9 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 17% | 0.174 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 159 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | N440 L507 T508 G509 | A435-N440 CarbonylContact C-O 3.57Å; A435-N440 WeakPolarHBondContact CA-O 3.32Å; A435-N440 WeakPolarHBondContact CB-O 3.43Å; A435-L507 PolarHBondContact N-O 3.2Å; A435-L507 VanDerWaalsContact N-O 3.11Å; A435-T508 CarbonylContact O-C 3.58Å; A435-T508 VanDerWaalsContact O-CA 3.25Å; A435-T508 WeakPolarHBondContact O-CA 3.32Å; A435-G509 PolarHBondContact O-N 3.4Å |
| 436 | D | 93 | Very high | 91.3 | Very high | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 178.2 | 173 | 70.2 | 16 | 0 | 0 | 0 | 112.2 | D438 G439 N440 L442 Y486 G509 | D436-D438 PolarHBondContact O-N 3.1Å; D436-D438 WeakPolarHBondContact OD1-CA 3.49Å; D436-D438 WeakPolarHBondContact OD1-CB 3.4Å; D436-D438 PolarHBondContact OD1-N 2.88Å; D436-G439 PolarHBondContact O-N 2.94Å; D436-G439 VanDerWaalsContact O-N 3.09Å; D436-G439 PolarHBondContact OD1-N 3.14Å; D436-N440 PolarHBondContact N-O 3.07Å; D436-N440 PolarHBondContact OD1-N 3.12Å; D436-N440 PolarHBondContact OD1-ND2 3.32Å; D436-N440 WeakPolarHBondContact OD2-CB 3.47Å; D436-N440 PolarHBondContact OD2-ND2 2.92Å; D436-L442 HydrophobicContact CB-CD1 4.08Å; D436-L442 HydrophobicContact CB-CD2 4.07Å; D436-L442 HydrophobicContact CB-CG 4.1Å; D436-Y486 HydrophobicContact CB-CE1 4.25Å; D436-G509 CarbonylContact C-O 3.49Å; D436-G509 VanDerWaalsContact CA-O 3.23Å; D436-G509 WeakPolarHBondContact CA-O 3.48Å |
| 437 | S | 91.1 | Very high | 91.9 | Very high | 81 Ų | 81 | 39.7 Ų | 39.7 | 57% | 0.566 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.4 | 177 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | G439 G509 | S437-G439 VanDerWaalsContact C-N 3.35Å; S437-G509 PolarHBondContact N-O 2.91Å; S437-G509 VanDerWaalsContact N-O 3.11Å |
| 438 | D | 90.7 | Very high | 92.5 | Very high | 134 Ų | 134 | 38.2 Ų | 38.2 | 72% | 0.717 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | -3.9 | 178.5 | -59.9 | -35.7 | 0 | 0 | 0 | 111.9 | D436 | D436-D438 PolarHBondContact O-N 3.1Å; D436-D438 WeakPolarHBondContact OD1-CA 3.49Å; D436-D438 WeakPolarHBondContact OD1-CB 3.4Å; D436-D438 PolarHBondContact OD1-N 2.88Å |
| 439 | G | 91 | Very high | 92.9 | Very high | 54 Ų | 54 | 38.2 Ų | 38.2 | 56% | 0.557 | 24% | 0.237 | S | C | * | . | S | Bend | trans | 88.9 | 7.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D436 S437 | D436-G439 PolarHBondContact O-N 2.94Å; D436-G439 VanDerWaalsContact O-N 3.09Å; D436-G439 PolarHBondContact OD1-N 3.14Å; S437-G439 VanDerWaalsContact C-N 3.35Å |
| 440 | N | 94.4 | Very high | 93.1 | Very high | 86 Ų | 86 | 36.9 Ų | 36.9 | 46% | 0.46 | 23% | 0.233 | S | C | . | . | trans | -76 | 138.5 | 175.6 | -50.4 | -60.7 | 0 | 0 | 0 | 110.3 | A435 D436 | A435-N440 CarbonylContact C-O 3.57Å; A435-N440 WeakPolarHBondContact CA-O 3.32Å; A435-N440 WeakPolarHBondContact CB-O 3.43Å; D436-N440 PolarHBondContact N-O 3.07Å; D436-N440 PolarHBondContact OD1-N 3.12Å; D436-N440 PolarHBondContact OD1-ND2 3.32Å; D436-N440 WeakPolarHBondContact OD2-CB 3.47Å; D436-N440 PolarHBondContact OD2-ND2 2.92Å | ||
| 441 | P | 95.5 | Very high | 92.9 | Very high | 67 Ų | 67 | 38.4 Ų | 38.4 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -63.3 | 137.5 | 178.1 | 26.2 | -33.4 | 0 | 0 | 0 | 111.6 | D464 | P441-D464 VanDerWaalsContact CB-O 3.27Å; P441-D464 WeakPolarHBondContact CB-O 3.24Å |
| 442 | L | 94.5 | Very high | 92.2 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.068 | 28% | 0.276 | C | S | . | . | trans | -103.9 | 109.9 | 177 | -70.3 | 175.7 | 0 | 0 | 0 | 110.3 | V434 D436 V445 T461 G465 Y486 F488 | V434-L442 HydrophobicContact CG1-CB 4.24Å; V434-L442 HydrophobicContact CG1-CD1 4.33Å; V434-L442 PolarHBondContact O-N 3.22Å; V434-L442 VanDerWaalsContact O-N 3.09Å; D436-L442 HydrophobicContact CB-CD1 4.08Å; D436-L442 HydrophobicContact CB-CD2 4.07Å; D436-L442 HydrophobicContact CB-CG 4.1Å; L442-V445 HydrophobicContact CB-CG2 3.66Å; L442-T461 WeakPolarHBondContact O-CB 3.33Å; L442-T461 PolarHBondContact O-OG1 3.09Å; L442-G465 WeakPolarHBondContact O-CA 3.37Å; L442-Y486 HydrophobicContact CD1-CD1 3.87Å; L442-Y486 HydrophobicContact CD1-CE1 3.97Å; L442-Y486 HydrophobicContact CD1-CG 4.34Å; L442-Y486 HydrophobicContact CD2-CD1 4.47Å; L442-Y486 HydrophobicContact CD2-CE1 3.81Å; L442-Y486 HydrophobicContact CD2-CE2 4.21Å; L442-F488 HydrophobicContact CD1-CE1 3.91Å; L442-F488 HydrophobicContact CD1-CZ 4.44Å | ||
| 443 | S | 93.3 | Very high | 90.8 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 39% | 0.392 | 31% | 0.307 | S | S | . | . | trans | -85.8 | 158.8 | 176.7 | 69.1 | 0 | 0 | 0 | 0 | 112.2 | V445 T461 D462 M483 | S443-V445 PolarHBondContact O-N 3.49Å; S443-T461 VanDerWaalsContact C-OG1 3.3Å; S443-T461 WeakPolarHBondContact CA-OG1 3.02Å; S443-D462 VanDerWaalsContact CA-O 3.24Å; S443-D462 WeakPolarHBondContact CA-O 3.31Å; S443-D462 WeakPolarHBondContact CB-O 3.44Å; S443-M483 WeakPolarHBondContact O-CE 3.39Å | ||
| 444 | S | 91.4 | Very high | 89.7 | Confident | 68 Ų | 68 | 57.4 Ų | 57.4 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 60.1 | 23.9 | 180 | -53.4 | 0 | 0 | 0 | 0 | 115.4 | T461 M483 | S444-T461 PolarHBondContact N-O 3.46Å; S444-T461 PolarHBondContact N-OG1 2.83Å; S444-T461 VanDerWaalsContact N-OG1 3.14Å; S444-M483 WeakPolarHBondContact O-CE 3.33Å |
| 445 | V | 94.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -79.6 | 127.9 | 171.2 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | V434 L442 S443 V447 L460 T461 A481 M483 F488 | V434-V445 HydrophobicContact CG1-CB 4.47Å; V434-V445 HydrophobicContact CG1-CG1 4.28Å; V434-V445 HydrophobicContact CG1-CG2 4.12Å; L442-V445 HydrophobicContact CB-CG2 3.66Å; S443-V445 PolarHBondContact O-N 3.49Å; V445-V447 HydrophobicContact CG1-CG2 4.46Å; V445-V447 PolarHBondContact O-N 3.05Å; V445-L460 CarbonylContact O-C 3.54Å; V445-L460 WeakPolarHBondContact O-CA 3.44Å; V445-T461 HydrophobicContact CB-CG2 4.03Å; V445-T461 WeakPolarHBondContact CB-OG1 3.21Å; V445-T461 PolarHBondContact N-OG1 3.32Å; V445-T461 PolarHBondContact O-N 2.02Å; V445-A481 HydrophobicContact CG1-CB 3.83Å; V445-M483 HydrophobicContact CB-CE 4.4Å; V445-M483 HydrophobicContact CG2-CE 3.63Å; V445-M483 HydrophobicContact CG2-SD 4.12Å; V445-F488 HydrophobicContact CB-CZ 4.27Å; V445-F488 HydrophobicContact CG1-CE1 3.95Å; V445-F488 HydrophobicContact CG1-CE2 3.85Å; V445-F488 HydrophobicContact CG1-CZ 3.41Å; V445-F488 VanDerWaalsContact CG1-CZ 3.41Å; V445-F488 HydrophobicContact CG2-CE1 4.22Å; V445-F488 HydrophobicContact CG2-CZ 3.8Å | ||
| 446 | L | 94.3 | Very high | 87.7 | Confident | 63 Ų | 63 | 67.9 Ų | 67.9 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 112 | 175.4 | 174.9 | 65 | 0 | 0 | 0 | 109.6 | V448 R458 L460 A481 F482 | L446-V448 HydrophobicContact CG-CG2 4.33Å; L446-R458 HydrophobicContact CD1-CB 4.3Å; L446-L460 HydrophobicContact CB-CD2 4.12Å; L446-L460 HydrophobicContact CD1-CD2 4.48Å; L446-A481 CarbonylContact O-C 3.58Å; L446-A481 WeakPolarHBondContact O-CA 3.42Å; L446-F482 HydrophobicContact CB-CB 4.32Å; L446-F482 HydrophobicContact CD2-CB 4.5Å; L446-F482 PolarHBondContact N-O 2.78Å; L446-F482 PolarHBondContact O-N 2.83Å |
| 447 | V | 94.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.8 | 174.4 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | V432 V434 V445 I449 R458 N459 T461 I467 V479 H480 A481 | V432-V447 HydrophobicContact CB-CG1 4.38Å; V432-V447 HydrophobicContact CG1-CG1 4.03Å; V432-V447 HydrophobicContact CG1-CG2 4.38Å; V432-V447 HydrophobicContact CG2-CG1 4.25Å; V434-V447 HydrophobicContact CG2-CG2 4.13Å; V445-V447 HydrophobicContact CG1-CG2 4.46Å; V445-V447 PolarHBondContact O-N 3.05Å; V447-I449 HydrophobicContact CG1-CG1 4.28Å; V447-R458 WeakPolarHBondContact O-CA 3.41Å; V447-N459 PolarHBondContact N-O 3.15Å; V447-N459 PolarHBondContact O-N 2.75Å; V447-T461 HydrophobicContact CG2-CG2 3.99Å; V447-I467 HydrophobicContact CB-CD1 3.33Å; V447-I467 HydrophobicContact CG1-CD1 4.13Å; V447-I467 HydrophobicContact CG2-CD1 3.38Å; V447-V479 HydrophobicContact CG1-CG1 3.63Å; V447-H480 CarbonylContact C-O 3.55Å; V447-H480 VanDerWaalsContact CA-O 3.25Å; V447-H480 WeakPolarHBondContact CA-O 3.34Å; V447-A481 HydrophobicContact CG2-CB 4.47Å |
| 448 | V | 93.4 | Very high | 87.2 | Confident | 22 Ų | 22 | 73.7 Ų | 73.7 | 13% | 0.133 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118 | 177.3 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | L446 M457 R458 V479 H480 F482 | L446-V448 HydrophobicContact CG-CG2 4.33Å; V448-M457 CarbonylContact C-O 3.59Å; V448-M457 WeakPolarHBondContact CA-O 3.47Å; V448-R458 HydrophobicContact CG1-CG 4.13Å; V448-R458 HydrophobicContact CG2-CG 4.09Å; V448-V479 WeakPolarHBondContact O-CA 3.35Å; V448-H480 HydrophobicContact CB-CB 4.47Å; V448-H480 PolarHBondContact N-O 3.49Å; V448-H480 PolarHBondContact O-N 3.08Å; V448-F482 HydrophobicContact CB-CE2 4.41Å; V448-F482 HydrophobicContact CG2-CD2 4Å; V448-F482 HydrophobicContact CG2-CE2 3.8Å |
| 449 | I | 92.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.9 | 174.1 | -57.6 | 157.4 | 0 | 0 | 0 | 107.4 | L430 V432 V447 R456 M457 S469 Y477 F478 V479 | L430-I449 HydrophobicContact CD2-CD1 4Å; L430-I449 HydrophobicContact CD2-CG1 4.26Å; L430-I449 HydrophobicContact CD2-CG2 3.88Å; V432-I449 HydrophobicContact CG2-CD1 4.3Å; V447-I449 HydrophobicContact CG1-CG1 4.28Å; I449-R456 WeakPolarHBondContact O-CA 3.26Å; I449-M457 HydrophobicContact CB-CB 4.31Å; I449-M457 HydrophobicContact CB-CE 3.8Å; I449-M457 HydrophobicContact CD1-CE 4.24Å; I449-M457 HydrophobicContact CG2-CE 3.52Å; I449-M457 PolarHBondContact N-O 2.88Å; I449-M457 PolarHBondContact O-N 2.96Å; I449-S469 WeakPolarHBondContact CD1-OG 3.26Å; I449-Y477 HydrophobicContact CG2-CD1 4Å; I449-Y477 HydrophobicContact CG2-CG 4.35Å; I449-F478 WeakPolarHBondContact CA-O 3.44Å; I449-V479 HydrophobicContact CG1-CG1 4.5Å; I449-V479 HydrophobicContact CG1-CG2 4.32Å |
| 450 | S | 90.6 | Very high | 87.3 | Confident | 22 Ų | 22 | 73.4 Ų | 73.4 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.2 | -178.7 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | L455 Y477 F478 | S450-L455 WeakPolarHBondContact CA-O 3.36Å; S450-Y477 CarbonylContact O-C 3.53Å; S450-Y477 WeakPolarHBondContact O-CA 2.99Å; S450-F478 PolarHBondContact N-O 2.96Å; S450-F478 PolarHBondContact O-N 3.4Å; S450-F478 PolarHBondContact OG-O 3.39Å |
| 451 | D | 84.7 | Confident | 87.3 | Confident | 33 Ų | 33 | 69.6 Ų | 69.6 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | trans | -99.3 | -167.9 | 170.2 | 77.1 | -10.1 | 0 | 0 | 0 | 111.8 | S453 E454 L455 Y477 | D451-S453 VanDerWaalsContact CG-N 3.29Å; D451-S453 VanDerWaalsContact CG-OG 3.31Å; D451-S453 WeakPolarHBondContact OD1-CA 2.94Å; D451-S453 PolarHBondContact OD1-N 3.29Å; D451-S453 PolarHBondContact OD2-OG 3.31Å; D451-E454 PolarHBondContact OD1-N 3.01Å; D451-L455 HydrophobicContact CB-CB 4.24Å; D451-L455 PolarHBondContact N-O 3.5Å; D451-L455 VanDerWaalsContact N-O 3.13Å; D451-L455 WeakPolarHBondContact OD1-CB 3.16Å; D451-L455 PolarHBondContact OD1-N 3.15Å; D451-L455 WeakPolarHBondContact OD2-CB 3.26Å; D451-Y477 HydrophobicContact CB-CD1 3.85Å; D451-Y477 HydrophobicContact CB-CE1 3.75Å | ||
| 452 | R | 75.7 | Confident | 87.2 | Confident | 224 Ų | 224 | 69.8 Ų | 69.8 | 85% | 0.845 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -82.5 | -10.8 | 173.5 | -67.7 | -178.6 | 120.7 | -178.8 | 1.3 | 114.2 | ||
| 453 | S | 66.7 | Low | 87 | Confident | 93 Ų | 93 | 77.5 Ų | 77.5 | 65% | 0.65 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -113.8 | 17.8 | -167.9 | 18.9 | 0 | 0 | 0 | 0 | 114.5 | D451 | D451-S453 VanDerWaalsContact CG-N 3.29Å; D451-S453 VanDerWaalsContact CG-OG 3.31Å; D451-S453 WeakPolarHBondContact OD1-CA 2.94Å; D451-S453 PolarHBondContact OD1-N 3.29Å; D451-S453 PolarHBondContact OD2-OG 3.31Å |
| 454 | E | 70.2 | Confident | 87 | Confident | 145 Ų | 145 | 79.2 Ų | 79.2 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 81.6 | 4.3 | -179.9 | -54.5 | -73.1 | 176 | 0 | 0 | 116.1 | D451 R456 | D451-E454 PolarHBondContact OD1-N 3.01Å; E454-R456 PolarHBondContact O-N 2.98Å; E454-R456 VanDerWaalsContact O-N 3.15Å; E454-R456 IonicContact OE2-CZ 4Å; E454-R456 IonicContact OE2-NE 3.93Å; E454-R456 IonicContact OE2-NH2 3.31Å; E454-R456 PolarHBondContact OE2-NH2 2.68Å |
| 455 | L | 70 | Confident | 87.1 | Confident | 79 Ų | 79 | 76 Ų | 76 | 41% | 0.414 | 36% | 0.361 | S | S | . | . | trans | -64 | 119.5 | 169.4 | -173 | 74.5 | 0 | 0 | 0 | 108.3 | S450 D451 M457 Y477 | S450-L455 WeakPolarHBondContact CA-O 3.36Å; D451-L455 HydrophobicContact CB-CB 4.24Å; D451-L455 PolarHBondContact N-O 3.5Å; D451-L455 VanDerWaalsContact N-O 3.13Å; D451-L455 WeakPolarHBondContact OD1-CB 3.16Å; D451-L455 PolarHBondContact OD1-N 3.15Å; D451-L455 WeakPolarHBondContact OD2-CB 3.26Å; L455-M457 HydrophobicContact CD2-CE 4.23Å; L455-M457 HydrophobicContact CD2-SD 4.47Å; L455-M457 HydrophobicContact CG-CG 4.46Å; L455-Y477 HydrophobicContact CD2-CE1 4.17Å | ||
| 456 | R | 79.4 | Confident | 87 | Confident | 161 Ų | 161 | 81.4 Ų | 81.4 | 61% | 0.608 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 98.5 | 175.3 | -65.4 | -174.5 | -166.6 | -177.3 | 7.4 | 110.2 | I449 E454 | I449-R456 WeakPolarHBondContact O-CA 3.26Å; E454-R456 PolarHBondContact O-N 2.98Å; E454-R456 VanDerWaalsContact O-N 3.15Å; E454-R456 IonicContact OE2-CZ 4Å; E454-R456 IonicContact OE2-NE 3.93Å; E454-R456 IonicContact OE2-NH2 3.31Å; E454-R456 PolarHBondContact OE2-NH2 2.68Å |
| 457 | M | 85.3 | Confident | 86.9 | Confident | 42 Ų | 42 | 78.8 Ų | 78.8 | 21% | 0.207 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 131.9 | 171.7 | -62.7 | 175.3 | -68.2 | 0 | 0 | 109 | V448 I449 L455 I472 | V448-M457 CarbonylContact C-O 3.59Å; V448-M457 WeakPolarHBondContact CA-O 3.47Å; I449-M457 HydrophobicContact CB-CB 4.31Å; I449-M457 HydrophobicContact CB-CE 3.8Å; I449-M457 HydrophobicContact CD1-CE 4.24Å; I449-M457 HydrophobicContact CG2-CE 3.52Å; I449-M457 PolarHBondContact N-O 2.88Å; I449-M457 PolarHBondContact O-N 2.96Å; L455-M457 HydrophobicContact CD2-CE 4.23Å; L455-M457 HydrophobicContact CD2-SD 4.47Å; L455-M457 HydrophobicContact CG-CG 4.46Å; M457-I472 HydrophobicContact CE-CD1 3.58Å; M457-I472 HydrophobicContact CE-CG1 3.87Å; M457-I472 HydrophobicContact SD-CD1 4.3Å; M457-I472 HydrophobicContact SD-CG1 4.15Å |
| 458 | R | 90.2 | Very high | 86.6 | Confident | 183 Ų | 183 | 83 Ų | 83 | 69% | 0.691 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 114.7 | -179.6 | -70 | -176 | -82.3 | -162 | -5.4 | 108.7 | L446 V447 V448 | L446-R458 HydrophobicContact CD1-CB 4.3Å; V447-R458 WeakPolarHBondContact O-CA 3.41Å; V448-R458 HydrophobicContact CG1-CG 4.13Å; V448-R458 HydrophobicContact CG2-CG 4.09Å |
| 459 | N | 90.4 | Very high | 86.2 | Confident | 70 Ų | 70 | 82.2 Ų | 82.2 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 154.7 | -177.3 | -73 | -38.7 | 0 | 0 | 0 | 109.7 | V447 I467 | V447-N459 PolarHBondContact N-O 3.15Å; V447-N459 PolarHBondContact O-N 2.75Å; N459-I467 HydrophobicContact CB-CD1 3.81Å; N459-I467 HydrophobicContact CB-CG1 4.31Å; N459-I467 HydrophobicContact CB-CG2 3.74Å |
| 460 | L | 93 | Very high | 85.6 | Confident | 111 Ų | 111 | 89 Ų | 89 | 58% | 0.581 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 142.7 | 171.7 | -68 | 168.2 | 0 | 0 | 0 | 109.2 | V445 L446 I467 | V445-L460 CarbonylContact O-C 3.54Å; V445-L460 WeakPolarHBondContact O-CA 3.44Å; L446-L460 HydrophobicContact CB-CD2 4.12Å; L446-L460 HydrophobicContact CD1-CD2 4.48Å; L460-I467 WeakPolarHBondContact O-CG1 3.37Å |
| 461 | T | 94.6 | Very high | 84.9 | Confident | 7 Ų | 7 | 90 Ų | 90 | 4% | 0.043 | 43% | 0.428 | C | S | . | . | trans | -66 | 142.3 | 172.6 | 52.3 | 0 | 0 | 0 | 0 | 111.5 | V434 L442 S443 S444 V445 V447 R466 I467 | V434-T461 HydrophobicContact CB-CG2 4.1Å; V434-T461 HydrophobicContact CG2-CG2 3.68Å; L442-T461 WeakPolarHBondContact O-CB 3.33Å; L442-T461 PolarHBondContact O-OG1 3.09Å; S443-T461 VanDerWaalsContact C-OG1 3.3Å; S443-T461 WeakPolarHBondContact CA-OG1 3.02Å; S444-T461 PolarHBondContact N-O 3.46Å; S444-T461 PolarHBondContact N-OG1 2.83Å; S444-T461 VanDerWaalsContact N-OG1 3.14Å; V445-T461 HydrophobicContact CB-CG2 4.03Å; V445-T461 WeakPolarHBondContact CB-OG1 3.21Å; V445-T461 PolarHBondContact N-OG1 3.32Å; V445-T461 PolarHBondContact O-N 2.02Å; V447-T461 HydrophobicContact CG2-CG2 3.99Å; T461-R466 WeakPolarHBondContact CA-O 3.47Å; T461-I467 HydrophobicContact CG2-CD1 3.84Å; T461-I467 HydrophobicContact CG2-CG1 3.91Å | ||
| 462 | D | 93.1 | Very high | 84.7 | Confident | 70 Ų | 70 | 88.6 Ų | 88.6 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | trans | -73.8 | -175.3 | 173.3 | 63.9 | 19.5 | 0 | 0 | 0 | 112.5 | S443 D464 G465 R466 | S443-D462 VanDerWaalsContact CA-O 3.24Å; S443-D462 WeakPolarHBondContact CA-O 3.31Å; S443-D462 WeakPolarHBondContact CB-O 3.44Å; D462-D464 PolarHBondContact O-N 3.42Å; D462-D464 WeakPolarHBondContact OD1-CA 3.39Å; D462-D464 WeakPolarHBondContact OD1-CB 3.22Å; D462-D464 PolarHBondContact OD1-N 3.44Å; D462-G465 PolarHBondContact O-N 3.43Å; D462-G465 PolarHBondContact OD1-N 3.02Å; D462-G465 VanDerWaalsContact OD1-N 3.11Å; D462-R466 VanDerWaalsContact CG-O 3.24Å; D462-R466 PolarHBondContact N-O 3.08Å; D462-R466 WeakPolarHBondContact OD1-CA 3.41Å; D462-R466 WeakPolarHBondContact OD1-CB 3.37Å; D462-R466 PolarHBondContact OD1-N 3.28Å | ||
| 463 | E | 90.6 | Very high | 84.8 | Confident | 175 Ų | 175 | 79.7 Ų | 79.7 | 82% | 0.818 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.9 | 178 | -64.3 | -173.4 | 167.6 | 0 | 0 | 113.2 | G465 | E463-G465 PolarHBondContact O-N 3.39Š|
| 464 | D | 91.9 | Very high | 85.6 | Confident | 93 Ų | 93 | 79.1 Ų | 79.1 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 3.5 | 175.7 | -72.4 | -34 | 0 | 0 | 0 | 112.5 | Q433 P441 D462 R466 | Q433-D464 PolarHBondContact NE2-O 2.6Å; P441-D464 VanDerWaalsContact CB-O 3.27Å; P441-D464 WeakPolarHBondContact CB-O 3.24Å; D462-D464 PolarHBondContact O-N 3.42Å; D462-D464 WeakPolarHBondContact OD1-CA 3.39Å; D462-D464 WeakPolarHBondContact OD1-CB 3.22Å; D462-D464 PolarHBondContact OD1-N 3.44Å; D464-R466 VanDerWaalsContact C-N 3.31Å; D464-R466 HydrophobicContact CB-CG 4.25Å |
| 465 | G | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | S | Bend | trans | 69.9 | 27 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q433 V434 L442 D462 E463 | Q433-G465 CarbonylContact C-O 3.55Å; Q433-G465 WeakPolarHBondContact CA-O 3.31Å; Q433-G465 PolarHBondContact NE2-O 2.93Å; V434-G465 PolarHBondContact N-O 2.73Å; L442-G465 WeakPolarHBondContact O-CA 3.37Å; D462-G465 PolarHBondContact O-N 3.43Å; D462-G465 PolarHBondContact OD1-N 3.02Å; D462-G465 VanDerWaalsContact OD1-N 3.11Å; E463-G465 PolarHBondContact O-N 3.39Å |
| 466 | R | 93.8 | Very high | 87.3 | Confident | 113 Ų | 113 | 73.9 Ų | 73.9 | 43% | 0.426 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 153.7 | -173.7 | -69.8 | 174.8 | -180 | 156.5 | 8.3 | 113.2 | V432 T461 D462 D464 | V432-R466 CarbonylContact O-C 3.59Å; V432-R466 VanDerWaalsContact O-CA 3.27Å; V432-R466 WeakPolarHBondContact O-CA 3.03Å; T461-R466 WeakPolarHBondContact CA-O 3.47Å; D462-R466 VanDerWaalsContact CG-O 3.24Å; D462-R466 PolarHBondContact N-O 3.08Å; D462-R466 WeakPolarHBondContact OD1-CA 3.41Å; D462-R466 WeakPolarHBondContact OD1-CB 3.37Å; D462-R466 PolarHBondContact OD1-N 3.28Å; D464-R466 VanDerWaalsContact C-N 3.31Å; D464-R466 HydrophobicContact CB-CG 4.25Å |
| 467 | I | 91.7 | Very high | 87.9 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 5% | 0.046 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 128.8 | 165.8 | -64.4 | 169.9 | 0 | 0 | 0 | 108 | I431 V432 V447 N459 L460 T461 | I431-I467 CarbonylContact C-O 3.59Å; I431-I467 WeakPolarHBondContact CA-O 3.3Å; V432-I467 HydrophobicContact CB-CB 4.44Å; V432-I467 PolarHBondContact N-O 3.31Å; V432-I467 PolarHBondContact O-N 3.48Å; V447-I467 HydrophobicContact CB-CD1 3.33Å; V447-I467 HydrophobicContact CG1-CD1 4.13Å; V447-I467 HydrophobicContact CG2-CD1 3.38Å; N459-I467 HydrophobicContact CB-CD1 3.81Å; N459-I467 HydrophobicContact CB-CG1 4.31Å; N459-I467 HydrophobicContact CB-CG2 3.74Å; L460-I467 WeakPolarHBondContact O-CG1 3.37Å; T461-I467 HydrophobicContact CG2-CD1 3.84Å; T461-I467 HydrophobicContact CG2-CG1 3.91Å |
| 468 | I | 88.4 | Confident | 88.2 | Confident | 89 Ų | 89 | 68.6 Ų | 68.6 | 46% | 0.456 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 105.2 | 172.9 | -53.8 | 174.9 | 0 | 0 | 0 | 107.6 | I431 K470 | I431-I468 HydrophobicContact CG1-CG1 4.37Å; I431-I468 HydrophobicContact CG1-CG2 4.43Å; I468-K470 HydrophobicContact CG2-CG 3.94Å |
| 469 | S | 84.6 | Confident | 88.4 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 105.1 | 174 | -55.9 | 0 | 0 | 0 | 0 | 108.7 | E429 L430 I449 I472 | E429-S469 WeakPolarHBondContact CA-O 3.28Å; L430-S469 PolarHBondContact N-O 3.24Å; L430-S469 PolarHBondContact O-N 3.18Å; I449-S469 WeakPolarHBondContact CD1-OG 3.26Å; S469-I472 VanDerWaalsContact CB-CD1 3.43Å |
| 470 | K | 80.1 | Confident | 88.6 | Confident | 144 Ų | 144 | 59 Ų | 59 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 155.8 | 176.2 | -60.1 | -175.9 | 176.5 | -179 | 0 | 109.8 | E429 I468 | E429-K470 HydrophobicContact CG-CG 4.36Å; I468-K470 HydrophobicContact CG2-CG 3.94Å |
| 471 | G | 76 | Confident | 88.7 | Confident | 43 Ų | 43 | 54.2 Ų | 54.2 | 44% | 0.443 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 86 | 18.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S428 | S428-G471 PolarHBondContact O-N 3.05Å; S428-G471 VanDerWaalsContact O-N 3.17Å |
| 472 | I | 80.2 | Confident | 88.6 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 130.3 | -176.8 | -62 | 177.1 | 0 | 0 | 0 | 109 | S428 L430 M457 S469 Y477 | S428-I472 VanDerWaalsContact CB-O 3.24Å; S428-I472 WeakPolarHBondContact CB-O 3.49Å; S428-I472 PolarHBondContact N-O 3.19Å; S428-I472 PolarHBondContact O-N 3.02Å; S428-I472 VanDerWaalsContact O-N 3.12Å; S428-I472 PolarHBondContact OG-O 2.87Å; L430-I472 HydrophobicContact CB-CD1 3.55Å; L430-I472 HydrophobicContact CD2-CD1 4.29Å; M457-I472 HydrophobicContact CE-CD1 3.58Å; M457-I472 HydrophobicContact CE-CG1 3.87Å; M457-I472 HydrophobicContact SD-CD1 4.3Å; M457-I472 HydrophobicContact SD-CG1 4.15Å; S469-I472 VanDerWaalsContact CB-CD1 3.43Å; I472-Y477 HydrophobicContact CG2-CD2 4.24Å; I472-Y477 HydrophobicContact CG2-CE1 3.73Å; I472-Y477 HydrophobicContact CG2-CE2 3.41Å; I472-Y477 VanDerWaalsContact CG2-CE2 3.41Å; I472-Y477 WeakPolarHBondContact CG2-OH 3.31Å |
| 473 | G | 76.7 | Confident | 88.6 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 160.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G475 Y477 | G473-G475 PolarHBondContact O-N 3.43Å; G473-Y477 WeakPolarHBondContact O-CE2 2.95Å; G473-Y477 PolarHBondContact O-OH 2.95Å |
| 474 | S | 83.5 | Confident | 88.5 | Confident | 80 Ų | 80 | 55 Ų | 55 | 56% | 0.559 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -62.2 | 136.3 | 174.6 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | V497 | S474-V497 CarbonylContact C-O 3.58Å; S474-V497 WeakPolarHBondContact CA-O 3.35Å |
| 475 | G | 86.5 | Confident | 88.5 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.2 | -178.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G473 V497 | G473-G475 PolarHBondContact O-N 3.43Å; G475-V497 PolarHBondContact N-O 3.47Å; G475-V497 PolarHBondContact O-N 2.8Å |
| 476 | E | 89.9 | Confident | 88.5 | Confident | 87 Ų | 87 | 53.3 Ų | 53.3 | 41% | 0.407 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 125.7 | 176.8 | -64.4 | -66.5 | 155.2 | 0 | 0 | 109.9 | R496 | E476-R496 WeakPolarHBondContact OE1-CB 3.24Å; E476-R496 VanDerWaalsContact OE1-CD 3.27Å; E476-R496 WeakPolarHBondContact OE1-CD 3.22Å; E476-R496 VanDerWaalsContact OE1-CG 3.22Å; E476-R496 WeakPolarHBondContact OE1-CG 3.38Å |
| 477 | Y | 91.5 | Very high | 88.5 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 155.2 | -176 | -62.2 | -88.5 | 0 | 0 | 0 | 111.5 | I449 S450 D451 L455 I472 G473 P494 I495 V497 | I449-Y477 HydrophobicContact CG2-CD1 4Å; I449-Y477 HydrophobicContact CG2-CG 4.35Å; S450-Y477 CarbonylContact O-C 3.53Å; S450-Y477 WeakPolarHBondContact O-CA 2.99Å; D451-Y477 HydrophobicContact CB-CD1 3.85Å; D451-Y477 HydrophobicContact CB-CE1 3.75Å; L455-Y477 HydrophobicContact CD2-CE1 4.17Å; I472-Y477 HydrophobicContact CG2-CD2 4.24Å; I472-Y477 HydrophobicContact CG2-CE1 3.73Å; I472-Y477 HydrophobicContact CG2-CE2 3.41Å; I472-Y477 VanDerWaalsContact CG2-CE2 3.41Å; I472-Y477 WeakPolarHBondContact CG2-OH 3.31Å; G473-Y477 WeakPolarHBondContact O-CE2 2.95Å; G473-Y477 PolarHBondContact O-OH 2.95Å; Y477-P494 CarbonylContact O-C 3.51Å; Y477-P494 WeakPolarHBondContact O-CA 3.23Å; Y477-I495 PolarHBondContact N-O 2.89Å; Y477-I495 PolarHBondContact O-N 2.83Å; Y477-V497 HydrophobicContact CD2-CB 4.16Å; Y477-V497 HydrophobicContact CD2-CG2 3.74Å; Y477-V497 HydrophobicContact CE2-CB 4.04Å; Y477-V497 HydrophobicContact CE2-CG2 4.08Å |
| 478 | F | 92.9 | Very high | 88.7 | Confident | 79 Ų | 79 | 51 Ų | 51 | 35% | 0.346 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132 | 173.8 | -61.8 | -89.5 | 0 | 0 | 0 | 110.1 | I449 S450 P494 | I449-F478 WeakPolarHBondContact CA-O 3.44Å; S450-F478 PolarHBondContact N-O 2.96Å; S450-F478 PolarHBondContact O-N 3.4Å; S450-F478 PolarHBondContact OG-O 3.39Å; F478-P494 HydrophobicContact CD1-CB 4.04Å; F478-P494 HydrophobicContact CE1-CB 3.9Å |
| 479 | V | 94.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.2 | -179.1 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | L430 V432 V447 V448 I449 S492 Q493 I495 V505 L507 | L430-V479 HydrophobicContact CD2-CG2 4.28Å; V432-V479 HydrophobicContact CG1-CG1 3.85Å; V432-V479 HydrophobicContact CG2-CG1 3.84Å; V432-V479 HydrophobicContact CG2-CG2 4.37Å; V447-V479 HydrophobicContact CG1-CG1 3.63Å; V448-V479 WeakPolarHBondContact O-CA 3.35Å; I449-V479 HydrophobicContact CG1-CG1 4.5Å; I449-V479 HydrophobicContact CG1-CG2 4.32Å; V479-S492 WeakPolarHBondContact O-CA 3.42Å; V479-Q493 PolarHBondContact N-O 3Å; V479-Q493 PolarHBondContact O-N 2.81Å; V479-I495 HydrophobicContact CG2-CG2 4.19Å; V479-V505 HydrophobicContact CB-CG1 4.28Å; V479-V505 HydrophobicContact CG1-CG1 4.36Å; V479-V505 HydrophobicContact CG2-CG1 4.36Å; V479-V505 HydrophobicContact CG2-CG2 4.17Å; V479-L507 HydrophobicContact CG1-CD1 4.11Å |
| 480 | H | 93.9 | Very high | 89.4 | Confident | 51 Ų | 51 | 54.1 Ų | 54.1 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.5 | 175.6 | -57.6 | 83.2 | 0 | 0 | 0 | 110.3 | V447 V448 F482 A491 S492 | V447-H480 CarbonylContact C-O 3.55Å; V447-H480 VanDerWaalsContact CA-O 3.25Å; V447-H480 WeakPolarHBondContact CA-O 3.34Å; V448-H480 HydrophobicContact CB-CB 4.47Å; V448-H480 PolarHBondContact N-O 3.49Å; V448-H480 PolarHBondContact O-N 3.08Å; H480-F482 HydrophobicContact CB-CE2 3.66Å; H480-F482 HydrophobicContact CB-CZ 3.94Å; H480-A491 PolarHBondContact CD2-O 2.59Å; H480-A491 VanDerWaalsContact CD2-O 3.32Å; H480-S492 PolarHBondContact CD2-OG 3.35Å; H480-S492 PolarHBondContact CE1-OG 3.5Å; H480-S492 VanDerWaalsContact NE2-CB 3.3Å; H480-S492 WeakPolarHBondContact NE2-CB 3.36Å; H480-S492 PolarHBondContact NE2-OG 2.92Å |
| 481 | A | 94.9 | Very high | 89.7 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 141.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V445 L446 V447 F488 L507 | V445-A481 HydrophobicContact CG1-CB 3.83Å; L446-A481 CarbonylContact O-C 3.58Å; L446-A481 WeakPolarHBondContact O-CA 3.42Å; V447-A481 HydrophobicContact CG2-CB 4.47Å; A481-F488 HydrophobicContact CB-CB 4.17Å; A481-F488 HydrophobicContact CB-CD1 4.02Å; A481-F488 HydrophobicContact CB-CD2 3.79Å; A481-F488 HydrophobicContact CB-CE1 4.42Å; A481-F488 HydrophobicContact CB-CE2 4.21Å; A481-F488 HydrophobicContact CB-CG 3.7Å; A481-F488 VanDerWaalsContact O-CD2 3.3Å; A481-F488 WeakPolarHBondContact O-CD2 3.49Å; A481-L507 HydrophobicContact CB-CD1 3.59Å |
| 482 | F | 93.2 | Very high | 90.4 | Very high | 112 Ų | 112 | 50.8 Ų | 50.8 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 133.3 | -177.1 | -56.3 | -83.7 | 0 | 0 | 0 | 111.7 | L446 V448 H480 | L446-F482 HydrophobicContact CB-CB 4.32Å; L446-F482 HydrophobicContact CD2-CB 4.5Å; L446-F482 PolarHBondContact N-O 2.78Å; L446-F482 PolarHBondContact O-N 2.83Å; V448-F482 HydrophobicContact CB-CE2 4.41Å; V448-F482 HydrophobicContact CG2-CD2 4Å; V448-F482 HydrophobicContact CG2-CE2 3.8Å; H480-F482 HydrophobicContact CB-CE2 3.66Å; H480-F482 HydrophobicContact CB-CZ 3.94Å |
| 483 | M | 92.1 | Very high | 91 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -160.9 | 135.3 | 172.8 | -179 | 176.6 | -93.6 | 0 | 0 | 107.9 | S443 S444 V445 E485 Y486 F488 | S443-M483 WeakPolarHBondContact O-CE 3.39Å; S444-M483 WeakPolarHBondContact O-CE 3.33Å; V445-M483 HydrophobicContact CB-CE 4.4Å; V445-M483 HydrophobicContact CG2-CE 3.63Å; V445-M483 HydrophobicContact CG2-SD 4.12Å; M483-E485 VanDerWaalsContact C-N 3.27Å; M483-E485 PolarHBondContact O-N 3.08Å; M483-Y486 HydrophobicContact CG-CD2 4.07Å; M483-Y486 PolarHBondContact O-N 2.83Å; M483-Y486 HydrophobicContact SD-CD2 3.39Å; M483-Y486 WeakPolarHBondContact SD-CD2 3.43Å; M483-Y486 HydrophobicContact SD-CE2 3.84Å; M483-Y486 HydrophobicContact SD-CG 4.28Å; M483-F488 HydrophobicContact CB-CE2 3.76Å; M483-F488 HydrophobicContact CB-CZ 3.9Å |
| 484 | K | 89.9 | Confident | 91.7 | Very high | 120 Ų | 120 | 55.4 Ų | 55.4 | 52% | 0.522 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -33 | -170.9 | -76.6 | -170.9 | 170.9 | -169.9 | 0 | 113.4 | E545 R558 | K484-E545 IonicContact NZ-OE1 2.66Å; K484-E545 IonicContact NZ-OE2 3.45Å; K484-E545 PolarHBondContact NZ-OE2 3.46Å; K484-R558 HydrophobicContact CB-CB 4.38Å; K484-R558 HydrophobicContact CD-CB 4.13Å |
| 485 | E | 91.2 | Very high | 92 | Very high | 15 Ų | 15 | 53.3 Ų | 53.3 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -13.9 | -176.8 | -60.8 | 91.2 | 154.7 | 0 | 0 | 113.5 | M483 R511 V512 A513 S515 R558 | M483-E485 VanDerWaalsContact C-N 3.27Å; M483-E485 PolarHBondContact O-N 3.08Å; E485-R511 CarbonylContact O-C 3.48Å; E485-R511 WeakPolarHBondContact O-CA 3.34Å; E485-V512 PolarHBondContact O-N 2.58Å; E485-A513 PolarHBondContact O-N 3.36Å; E485-S515 PolarHBondContact OE1-OG 3.27Å; E485-R558 VanDerWaalsContact OE1-CB 3.26Å; E485-R558 WeakPolarHBondContact OE1-CB 3.37Å; E485-R558 WeakPolarHBondContact OE1-CD 3.34Å; E485-R558 WeakPolarHBondContact OE1-CG 3.5Å; E485-R558 IonicContact OE1-NE 3.95Å |
| 486 | Y | 93.6 | Very high | 92.2 | Very high | 43 Ų | 43 | 59.4 Ų | 59.4 | 17% | 0.169 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.7 | -169.9 | -68.6 | -101.1 | 0 | 0 | 0 | 113 | D436 L442 M483 M510 R511 | D436-Y486 HydrophobicContact CB-CE1 4.25Å; L442-Y486 HydrophobicContact CD1-CD1 3.87Å; L442-Y486 HydrophobicContact CD1-CE1 3.97Å; L442-Y486 HydrophobicContact CD1-CG 4.34Å; L442-Y486 HydrophobicContact CD2-CD1 4.47Å; L442-Y486 HydrophobicContact CD2-CE1 3.81Å; L442-Y486 HydrophobicContact CD2-CE2 4.21Å; M483-Y486 HydrophobicContact CG-CD2 4.07Å; M483-Y486 PolarHBondContact O-N 2.83Å; M483-Y486 HydrophobicContact SD-CD2 3.39Å; M483-Y486 WeakPolarHBondContact SD-CD2 3.43Å; M483-Y486 HydrophobicContact SD-CE2 3.84Å; M483-Y486 HydrophobicContact SD-CG 4.28Å; Y486-M510 CarbonylContact C-O 3.51Å; Y486-M510 VanDerWaalsContact CA-O 3.29Å; Y486-M510 WeakPolarHBondContact CA-O 3.44Å; Y486-R511 HydrophobicContact CD1-CB 4.01Å; Y486-R511 HydrophobicContact CE1-CB 3.72Å; Y486-R511 HydrophobicContact CE1-CG 4.25Å; Y486-R511 HydrophobicContact CE2-CG 4.38Å |
| 487 | S | 93.9 | Very high | 92.1 | Very high | 59 Ų | 59 | 55.3 Ų | 55.3 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.8 | 165.7 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | G509 M510 | S487-G509 CarbonylContact O-C 3.55Å; S487-G509 WeakPolarHBondContact O-CA 3.31Å; S487-M510 PolarHBondContact N-O 2.7Å; S487-M510 PolarHBondContact O-N 2.84Å |
| 488 | F | 95.2 | Very high | 91.8 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 6% | 0.057 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 142.7 | -174.8 | -64.9 | -81.8 | 0 | 0 | 0 | 113.6 | V434 L442 V445 A481 M483 T508 | V434-F488 HydrophobicContact CG1-CD1 3.81Å; V434-F488 HydrophobicContact CG1-CE1 3.35Å; V434-F488 HydrophobicContact CG1-CZ 4.32Å; L442-F488 HydrophobicContact CD1-CE1 3.91Å; L442-F488 HydrophobicContact CD1-CZ 4.44Å; V445-F488 HydrophobicContact CB-CZ 4.27Å; V445-F488 HydrophobicContact CG1-CE1 3.95Å; V445-F488 HydrophobicContact CG1-CE2 3.85Å; V445-F488 HydrophobicContact CG1-CZ 3.41Å; V445-F488 VanDerWaalsContact CG1-CZ 3.41Å; V445-F488 HydrophobicContact CG2-CE1 4.22Å; V445-F488 HydrophobicContact CG2-CZ 3.8Å; A481-F488 HydrophobicContact CB-CB 4.17Å; A481-F488 HydrophobicContact CB-CD1 4.02Å; A481-F488 HydrophobicContact CB-CD2 3.79Å; A481-F488 HydrophobicContact CB-CE1 4.42Å; A481-F488 HydrophobicContact CB-CE2 4.21Å; A481-F488 HydrophobicContact CB-CG 3.7Å; A481-F488 VanDerWaalsContact O-CD2 3.3Å; A481-F488 WeakPolarHBondContact O-CD2 3.49Å; M483-F488 HydrophobicContact CB-CE2 3.76Å; M483-F488 HydrophobicContact CB-CZ 3.9Å; F488-T508 CarbonylContact C-O 3.55Å; F488-T508 WeakPolarHBondContact CA-O 3.43Å |
| 489 | Q | 93.3 | Very high | 91.2 | Very high | 125 Ų | 125 | 59.7 Ų | 59.7 | 58% | 0.584 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130.2 | 175.4 | -172.2 | 65.8 | 29.4 | 0 | 0 | 110.5 | T508 | Q489-T508 PolarHBondContact N-O 3.12Å; Q489-T508 PolarHBondContact O-N 3.47Å |
| 490 | P | 93.7 | Very high | 90.5 | Very high | 36 Ų | 36 | 61.3 Ų | 61.3 | 23% | 0.234 | 32% | 0.322 | C | S | . | . | S | Bend | cis | -64.7 | 153.4 | -12.4 | 30.4 | -36 | 0 | 0 | 0 | 111.7 | S492 Q493 L507 | P490-S492 PolarHBondContact O-N 2.81Å; P490-Q493 HydrophobicContact CG-CB 4.04Å; P490-L507 HydrophobicContact CG-CD2 3.9Å |
| 491 | A | 88.2 | Confident | 90 | Very high | 71 Ų | 71 | 60.8 Ų | 60.8 | 59% | 0.587 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -65.6 | -25.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H480 | H480-A491 PolarHBondContact CD2-O 2.59Å; H480-A491 VanDerWaalsContact CD2-O 3.32Å |
| 492 | S | 89.7 | Confident | 89.6 | Confident | 45 Ų | 45 | 68.2 Ų | 68.2 | 32% | 0.315 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -151.5 | 127.7 | 176.7 | -169.8 | 0 | 0 | 0 | 0 | 109.7 | V479 H480 P490 | V479-S492 WeakPolarHBondContact O-CA 3.42Å; H480-S492 PolarHBondContact CD2-OG 3.35Å; H480-S492 PolarHBondContact CE1-OG 3.5Å; H480-S492 VanDerWaalsContact NE2-CB 3.3Å; H480-S492 WeakPolarHBondContact NE2-CB 3.36Å; H480-S492 PolarHBondContact NE2-OG 2.92Å; P490-S492 PolarHBondContact O-N 2.81Å |
| 493 | Q | 92.4 | Very high | 89.4 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 33% | 0.327 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.3 | 179.3 | -178.2 | 62.7 | 43.4 | 0 | 0 | 110.8 | V479 P490 V505 L507 | V479-Q493 PolarHBondContact N-O 3Å; V479-Q493 PolarHBondContact O-N 2.81Å; P490-Q493 HydrophobicContact CG-CB 4.04Å; Q493-V505 HydrophobicContact CB-CG1 4.01Å; Q493-V505 HydrophobicContact CG-CG1 3.81Å; Q493-V505 HydrophobicContact CG-CG2 4.3Å; Q493-L507 HydrophobicContact CB-CD2 4.25Å |
| 494 | P | 91.1 | Very high | 89.3 | Confident | 69 Ų | 69 | 65.5 Ų | 65.5 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 141.3 | 169.4 | 29.8 | -32.5 | 0 | 0 | 0 | 111.1 | Y477 F478 | Y477-P494 CarbonylContact O-C 3.51Å; Y477-P494 WeakPolarHBondContact O-CA 3.23Å; F478-P494 HydrophobicContact CD1-CB 4.04Å; F478-P494 HydrophobicContact CE1-CB 3.9Å |
| 495 | I | 91 | Very high | 89.5 | Confident | 36 Ų | 36 | 60 Ų | 60 | 19% | 0.185 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 135.3 | 178.2 | -170.6 | 64.9 | 0 | 0 | 0 | 111.6 | L430 Y477 V479 A503 V505 | L430-I495 HydrophobicContact CD1-CG1 4.2Å; L430-I495 HydrophobicContact CD1-CG2 4.06Å; L430-I495 HydrophobicContact CD2-CG2 4.21Å; Y477-I495 PolarHBondContact N-O 2.89Å; Y477-I495 PolarHBondContact O-N 2.83Å; V479-I495 HydrophobicContact CG2-CG2 4.19Å; I495-A503 HydrophobicContact CD1-CB 4.47Å; I495-A503 HydrophobicContact CG1-CB 4.1Å; I495-V505 HydrophobicContact CB-CG2 3.86Å; I495-V505 HydrophobicContact CD1-CG2 4.25Å; I495-V505 HydrophobicContact CG1-CG2 3.92Å; I495-V505 HydrophobicContact CG2-CG2 4.04Å |
| 496 | R | 90.1 | Very high | 89.7 | Confident | 156 Ų | 156 | 67.1 Ų | 67.1 | 59% | 0.589 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 132.8 | 171.8 | -177.9 | 176.5 | 168.8 | 150.9 | -0.7 | 110.4 | E476 D498 | E476-R496 WeakPolarHBondContact OE1-CB 3.24Å; E476-R496 VanDerWaalsContact OE1-CD 3.27Å; E476-R496 WeakPolarHBondContact OE1-CD 3.22Å; E476-R496 VanDerWaalsContact OE1-CG 3.22Å; E476-R496 WeakPolarHBondContact OE1-CG 3.38Å; R496-D498 IonicContact CZ-OD1 3.63Å; R496-D498 IonicContact NE-OD1 2.99Å; R496-D498 PolarHBondContact NE-OD1 2.84Å; R496-D498 IonicContact NH2-OD1 3.35Å; R496-D498 PolarHBondContact NH2-OD1 2.83Å |
| 497 | V | 88.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.5 | 176.9 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | S428 L430 S474 G475 Y477 A503 | S428-V497 VanDerWaalsContact CB-CG1 3.44Å; L430-V497 HydrophobicContact CD1-CG2 4.45Å; S474-V497 CarbonylContact C-O 3.58Å; S474-V497 WeakPolarHBondContact CA-O 3.35Å; G475-V497 PolarHBondContact N-O 3.47Å; G475-V497 PolarHBondContact O-N 2.8Å; Y477-V497 HydrophobicContact CD2-CB 4.16Å; Y477-V497 HydrophobicContact CD2-CG2 3.74Å; Y477-V497 HydrophobicContact CE2-CB 4.04Å; Y477-V497 HydrophobicContact CE2-CG2 4.08Å; V497-A503 HydrophobicContact CG2-CB 4.04Å |
| 498 | D | 84.5 | Confident | 89.9 | Confident | 78 Ų | 78 | 65.4 Ų | 65.4 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | trans | -94.4 | 158.1 | 176.6 | -60.8 | -51.8 | 0 | 0 | 0 | 110.8 | S428 R496 G500 S501 | S428-D498 PolarHBondContact OG-O 3.17Å; R496-D498 IonicContact CZ-OD1 3.63Å; R496-D498 IonicContact NE-OD1 2.99Å; R496-D498 PolarHBondContact NE-OD1 2.84Å; R496-D498 IonicContact NH2-OD1 3.35Å; R496-D498 PolarHBondContact NH2-OD1 2.83Å; D498-G500 PolarHBondContact O-N 2.86Å; D498-S501 PolarHBondContact N-OG 3.23Å; D498-S501 VanDerWaalsContact O-CB 3.28Å; D498-S501 WeakPolarHBondContact O-CB 3.36Å; D498-S501 PolarHBondContact O-N 2.81Å; D498-S501 VanDerWaalsContact O-N 3.13Å; D498-S501 PolarHBondContact O-OG 3.35Å | ||
| 499 | E | 80.5 | Confident | 89.9 | Confident | 106 Ų | 106 | 64.8 Ų | 64.8 | 50% | 0.495 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 130.9 | -175.8 | -166.4 | -175.3 | 167.4 | 0 | 0 | 112.6 | K426 S428 S501 | K426-E499 PolarHBondContact N-OE1 2.93Å; K426-E499 WeakPolarHBondContact O-CG 3.38Å; S428-E499 WeakPolarHBondContact OG-CA 3.48Å; E499-S501 PolarHBondContact O-N 2.96Å; E499-S501 VanDerWaalsContact O-N 3.12Å |
| 500 | G | 79 | Confident | 89.9 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 35% | 0.351 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 12.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K426 S428 D498 | K426-G500 PolarHBondContact O-N 3.14Å; S428-G500 PolarHBondContact OG-N 2.81Å; S428-G500 VanDerWaalsContact OG-N 3.08Å; D498-G500 PolarHBondContact O-N 2.86Å |
| 501 | S | 85 | Confident | 89.8 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | trans | -98.1 | 166.7 | -179 | 78.6 | 0 | 0 | 0 | 0 | 112.7 | S428 E429 D498 E499 | S428-S501 WeakPolarHBondContact CB-O 3.38Å; E429-S501 PolarHBondContact N-O 3.03Å; D498-S501 PolarHBondContact N-OG 3.23Å; D498-S501 VanDerWaalsContact O-CB 3.28Å; D498-S501 WeakPolarHBondContact O-CB 3.36Å; D498-S501 PolarHBondContact O-N 2.81Å; D498-S501 VanDerWaalsContact O-N 3.13Å; D498-S501 PolarHBondContact O-OG 3.35Å; E499-S501 PolarHBondContact O-N 2.96Å; E499-S501 VanDerWaalsContact O-N 3.12Å | ||
| 502 | R | 84.8 | Confident | 90 | Very high | 167 Ų | 167 | 67.1 Ų | 67.1 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118.6 | 173.2 | 179.7 | -176 | -78.6 | -176.3 | -2.2 | 109.7 | E429 I431 | E429-R502 HydrophobicContact CB-CG 4.43Å; E429-R502 WeakPolarHBondContact O-CA 3.38Å; E429-R502 IonicContact OE2-CZ 2.87Å; E429-R502 IonicContact OE2-NE 3.79Å; E429-R502 PolarHBondContact OE2-NE 3.13Å; E429-R502 IonicContact OE2-NH2 2.69Å; E429-R502 PolarHBondContact OE2-NH2 2.7Å; I431-R502 HydrophobicContact CD1-CG 4.01Å; I431-R502 HydrophobicContact CG1-CG 4.4Å |
| 503 | A | 89.4 | Confident | 90.1 | Very high | 13 Ų | 13 | 65.4 Ų | 65.4 | 11% | 0.107 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 153.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E429 L430 I431 I495 V497 | E429-A503 PolarHBondContact O-N 3.44Å; L430-A503 HydrophobicContact CD1-CB 3.85Å; I431-A503 PolarHBondContact N-O 3.05Å; I495-A503 HydrophobicContact CD1-CB 4.47Å; I495-A503 HydrophobicContact CG1-CB 4.1Å; V497-A503 HydrophobicContact CG2-CB 4.04Å |
| 504 | T | 91.4 | Very high | 90.2 | Very high | 79 Ų | 79 | 63 Ų | 63 | 49% | 0.485 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 134.2 | -179.1 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | I431 | I431-T504 HydrophobicContact CB-CG2 4.37Å; I431-T504 HydrophobicContact CG2-CG2 4.48Å; I431-T504 CarbonylContact O-C 3.45Å; I431-T504 VanDerWaalsContact O-CA 3.24Å; I431-T504 WeakPolarHBondContact O-CA 3.44Å |
| 505 | V | 93.5 | Very high | 90.3 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138 | 177.8 | 170.1 | 0 | 0 | 0 | 0 | 109.7 | L430 I431 V432 Q433 V479 Q493 I495 L507 | L430-V505 HydrophobicContact CD1-CG2 4.22Å; I431-V505 PolarHBondContact O-N 3.5Å; V432-V505 CarbonylContact C-O 3.58Å; V432-V505 WeakPolarHBondContact CA-O 3.41Å; Q433-V505 PolarHBondContact N-O 3.34Å; V479-V505 HydrophobicContact CB-CG1 4.28Å; V479-V505 HydrophobicContact CG1-CG1 4.36Å; V479-V505 HydrophobicContact CG2-CG1 4.36Å; V479-V505 HydrophobicContact CG2-CG2 4.17Å; Q493-V505 HydrophobicContact CB-CG1 4.01Å; Q493-V505 HydrophobicContact CG-CG1 3.81Å; Q493-V505 HydrophobicContact CG-CG2 4.3Å; I495-V505 HydrophobicContact CB-CG2 3.86Å; I495-V505 HydrophobicContact CD1-CG2 4.25Å; I495-V505 HydrophobicContact CG1-CG2 3.92Å; I495-V505 HydrophobicContact CG2-CG2 4.04Å; V505-L507 HydrophobicContact CG1-CD2 4.25Å; V505-L507 HydrophobicContact CG1-CG 4.28Å |
| 506 | K | 94.3 | Very high | 90.5 | Very high | 163 Ų | 163 | 58.2 Ų | 58.2 | 71% | 0.709 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.2 | 175.3 | -64.4 | -174.2 | 177.4 | -176.8 | 0 | 110.4 | Q433 | Q433-K506 HydrophobicContact CB-CG 4.23Å; Q433-K506 CarbonylContact O-C 3.58Å; Q433-K506 VanDerWaalsContact O-CA 3.32Å; Q433-K506 WeakPolarHBondContact O-CA 3.27Å |
| 507 | L | 95.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 141.7 | 176.8 | -58.2 | 175.7 | 0 | 0 | 0 | 110 | V432 Q433 V434 A435 V479 A481 P490 Q493 V505 | V432-L507 HydrophobicContact CG1-CD1 4.29Å; Q433-L507 PolarHBondContact O-N 2.98Å; V434-L507 WeakPolarHBondContact CA-O 3.2Å; V434-L507 HydrophobicContact CG1-CB 4.45Å; V434-L507 HydrophobicContact CG2-CB 4.37Å; V434-L507 HydrophobicContact CG2-CD1 4.49Å; A435-L507 PolarHBondContact N-O 3.2Å; A435-L507 VanDerWaalsContact N-O 3.11Å; V479-L507 HydrophobicContact CG1-CD1 4.11Å; A481-L507 HydrophobicContact CB-CD1 3.59Å; P490-L507 HydrophobicContact CG-CD2 3.9Å; Q493-L507 HydrophobicContact CB-CD2 4.25Å; V505-L507 HydrophobicContact CG1-CD2 4.25Å; V505-L507 HydrophobicContact CG1-CG 4.28Å |
| 508 | T | 96 | Very high | 91.1 | Very high | 64 Ų | 64 | 54.5 Ų | 54.5 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.5 | -179.9 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | A435 F488 Q489 | A435-T508 CarbonylContact O-C 3.58Å; A435-T508 VanDerWaalsContact O-CA 3.25Å; A435-T508 WeakPolarHBondContact O-CA 3.32Å; F488-T508 CarbonylContact C-O 3.55Å; F488-T508 WeakPolarHBondContact CA-O 3.43Å; Q489-T508 PolarHBondContact N-O 3.12Å; Q489-T508 PolarHBondContact O-N 3.47Å |
| 509 | G | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | A435 D436 S437 S487 | A435-G509 PolarHBondContact O-N 3.4Å; D436-G509 CarbonylContact C-O 3.49Å; D436-G509 VanDerWaalsContact CA-O 3.23Å; D436-G509 WeakPolarHBondContact CA-O 3.48Å; S437-G509 PolarHBondContact N-O 2.91Å; S437-G509 VanDerWaalsContact N-O 3.11Å; S487-G509 CarbonylContact O-C 3.55Å; S487-G509 WeakPolarHBondContact O-CA 3.31Å |
| 510 | M | 93.5 | Very high | 92.1 | Very high | 96 Ų | 96 | 47.9 Ų | 47.9 | 47% | 0.473 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125.8 | 171.7 | -61.1 | -174 | -58.2 | 0 | 0 | 109.7 | Y486 S487 V512 | Y486-M510 CarbonylContact C-O 3.51Å; Y486-M510 VanDerWaalsContact CA-O 3.29Å; Y486-M510 WeakPolarHBondContact CA-O 3.44Å; S487-M510 PolarHBondContact N-O 2.7Å; S487-M510 PolarHBondContact O-N 2.84Å; M510-V512 PolarHBondContact O-N 2.91Å |
| 511 | R | 92.1 | Very high | 92.6 | Very high | 101 Ų | 101 | 49.4 Ų | 49.4 | 38% | 0.381 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.5 | -180 | -165.6 | 175.7 | -175.7 | 166.3 | 7.4 | 110.7 | E485 Y486 A513 D592 | E485-R511 CarbonylContact O-C 3.48Å; E485-R511 WeakPolarHBondContact O-CA 3.34Å; Y486-R511 HydrophobicContact CD1-CB 4.01Å; Y486-R511 HydrophobicContact CE1-CB 3.72Å; Y486-R511 HydrophobicContact CE1-CG 4.25Å; Y486-R511 HydrophobicContact CE2-CG 4.38Å; R511-A513 PolarHBondContact NE-O 2.03Å; R511-D592 IonicContact CZ-OD1 3.11Å; R511-D592 IonicContact CZ-OD2 3.96Å; R511-D592 IonicContact NH1-OD2 3Å; R511-D592 IonicContact NH2-OD1 3.6Å; R511-D592 PolarHBondContact NH2-OD1 2.93Å; R511-D592 IonicContact NH2-OD2 3.7Å; R511-D592 PolarHBondContact NH2-OD2 3.25Å |
| 512 | V | 91.7 | Very high | 92.7 | Very high | 83 Ų | 83 | 50.9 Ų | 50.9 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | trans | -127.3 | -12.2 | -176 | -65.9 | 0 | 0 | 0 | 0 | 113.7 | E485 M510 | E485-V512 PolarHBondContact O-N 2.58Å; M510-V512 PolarHBondContact O-N 2.91Å | ||
| 513 | A | 92.9 | Very high | 92.4 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | trans | -141.2 | 164.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E485 R511 | E485-A513 PolarHBondContact O-N 3.36Å; R511-A513 PolarHBondContact NE-O 2.03Å | ||
| 514 | F | 94.2 | Very high | 92 | Very high | 21 Ų | 21 | 52.1 Ų | 52.1 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 170.1 | -172.5 | -57.9 | -81.6 | 0 | 0 | 0 | 110.9 | G559 L560 V588 T589 Q590 | F514-G559 PolarHBondContact O-N 2.81Å; F514-L560 PolarHBondContact N-O 3.42Å; F514-L560 WeakPolarHBondContact O-CA 3.49Å; F514-L560 WeakPolarHBondContact O-CB 3.35Å; F514-L560 PolarHBondContact O-N 2.88Å; F514-V588 HydrophobicContact CB-CG1 4.05Å; F514-V588 HydrophobicContact CD2-CG1 4.33Å; F514-T589 WeakPolarHBondContact CD2-O 3.48Å; F514-Q590 HydrophobicContact CE1-CB 4.49Å; F514-Q590 WeakPolarHBondContact CE1-O 3.37Å; F514-Q590 HydrophobicContact CE2-CB 4.34Å; F514-Q590 HydrophobicContact CE2-CG 4.48Å; F514-Q590 VanDerWaalsContact CZ-C 3.44Å; F514-Q590 VanDerWaalsContact CZ-CA 3.41Å; F514-Q590 HydrophobicContact CZ-CB 3.91Å; F514-Q590 HydrophobicContact CZ-CG 4.4Å; F514-Q590 WeakPolarHBondContact CZ-O 3.22Å |
| 515 | S | 93.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 152.4 | -172.5 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | E485 L557 R558 D592 S593 | E485-S515 PolarHBondContact OE1-OG 3.27Å; S515-L557 CarbonylContact C-O 3.6Å; S515-L557 WeakPolarHBondContact CA-O 3.37Å; S515-L557 WeakPolarHBondContact CB-O 3.26Å; S515-R558 WeakPolarHBondContact OG-CA 3.47Å; S515-D592 PolarHBondContact N-OD1 3.29Å; S515-D592 VanDerWaalsContact O-CA 3.27Å; S515-D592 WeakPolarHBondContact O-CA 3.42Å; S515-D592 WeakPolarHBondContact O-CB 3.19Å; S515-S593 PolarHBondContact O-N 3.36Å |
| 516 | C | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 144.3 | 169.7 | 79.6 | 0 | 0 | 0 | 0 | 112.6 | L557 L560 F586 S593 F596 | C516-L557 PolarHBondContact N-O 3.2Å; C516-L557 PolarHBondContact O-N 2.87Å; C516-L560 HydrophobicContact CB-CD1 3.83Å; C516-F586 HydrophobicContact CB-CZ 3.83Å; C516-S593 CarbonylContact C-O 3.58Å; C516-S593 WeakPolarHBondContact CA-O 3.37Å; C516-F596 HydrophobicContact CB-CD2 3.87Å; C516-F596 HydrophobicContact CB-CE2 3.64Å; C516-F596 HydrophobicContact CB-CZ 4.39Å |
| 517 | F | 95 | Very high | 91 | Very high | 72 Ų | 72 | 48.5 Ų | 48.5 | 32% | 0.316 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.1 | -171 | -58.3 | -93.5 | 0 | 0 | 0 | 111.7 | T556 D592 S593 I594 G595 F596 | F517-T556 HydrophobicContact CD1-CG2 3.63Å; F517-T556 WeakPolarHBondContact CD1-OG1 3.45Å; F517-T556 HydrophobicContact CE1-CG2 3.26Å; F517-T556 WeakPolarHBondContact CE1-OG1 3.35Å; F517-T556 HydrophobicContact CG-CG2 4.44Å; F517-T556 HydrophobicContact CZ-CG2 3.8Å; F517-D592 HydrophobicContact CD2-CB 4.43Å; F517-D592 HydrophobicContact CE2-CB 3.81Å; F517-S593 PolarHBondContact N-O 2.96Å; F517-I594 HydrophobicContact CB-CG2 4.2Å; F517-I594 HydrophobicContact CD2-CG2 4.03Å; F517-I594 HydrophobicContact CG-CG2 4.46Å; F517-G595 PolarHBondContact O-N 2.96Å; F517-F596 WeakPolarHBondContact O-CD2 3.29Å; F517-F596 PolarHBondContact O-N 3.33Å |
| 518 | G | 95.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 6% | 0.062 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 176.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y555 F596 | G518-Y555 VanDerWaalsContact C-CD1 3.47Å; G518-Y555 PolarHBondContact N-O 3.44Å; G518-Y555 VanDerWaalsContact O-CD1 3.23Å; G518-Y555 WeakPolarHBondContact O-CD1 3.47Å; G518-Y555 PolarHBondContact O-N 2.92Å; G518-F596 WeakPolarHBondContact CA-O 3.34Å |
| 519 | Q | 94.4 | Very high | 90.3 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143.8 | -180 | -161.1 | 176 | 7.6 | 0 | 0 | 111.8 | K521 S552 G553 I554 D597 F598 | Q519-K521 HydrophobicContact CG-CG 4.29Å; Q519-S552 PolarHBondContact NE2-O 2.83Å; Q519-G553 CarbonylContact C-O 3.59Å; Q519-G553 VanDerWaalsContact CA-O 3.26Å; Q519-G553 WeakPolarHBondContact CA-O 3.36Å; Q519-G553 WeakPolarHBondContact CG-O 3.02Å; Q519-I554 HydrophobicContact CG-CG1 4.03Å; Q519-D597 PolarHBondContact N-OD1 3.36Å; Q519-D597 CarbonylContact O-C 3.53Å; Q519-D597 VanDerWaalsContact O-CA 3.3Å; Q519-D597 WeakPolarHBondContact O-CA 3.47Å; Q519-F598 PolarHBondContact O-N 3.31Å |
| 520 | V | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.8 | 172.5 | -167.2 | 0 | 0 | 0 | 0 | 109.5 | V528 I531 V533 G553 Y555 L570 F598 L600 | V520-V528 HydrophobicContact CB-CB 4.43Å; V520-V528 HydrophobicContact CG1-CB 4.04Å; V520-V528 HydrophobicContact CG1-CG2 4.37Å; V520-V528 PolarHBondContact O-N 3.3Å; V520-I531 HydrophobicContact CG1-CB 4.45Å; V520-I531 HydrophobicContact CG1-CG1 4.19Å; V520-I531 HydrophobicContact CG1-CG2 4.42Å; V520-I531 HydrophobicContact CG2-CB 4.37Å; V520-I531 HydrophobicContact CG2-CG2 4.33Å; V520-V533 HydrophobicContact CG2-CG2 4.37Å; V520-G553 PolarHBondContact N-O 2.81Å; V520-Y555 HydrophobicContact CG2-CD1 4.03Å; V520-Y555 HydrophobicContact CG2-CE1 4.15Å; V520-L570 HydrophobicContact CG1-CD1 4.36Å; V520-L570 HydrophobicContact CG2-CD2 4.07Å; V520-F598 CarbonylContact C-O 3.49Å; V520-F598 WeakPolarHBondContact CA-O 3.23Å; V520-F598 HydrophobicContact CG1-CB 4.38Å; V520-F598 HydrophobicContact CG2-CB 4.44Å; V520-L600 HydrophobicContact CG1-CD1 3.65Å; V520-L600 HydrophobicContact CG1-CG 3.95Å |
| 521 | K | 90.1 | Very high | 89.8 | Confident | 67 Ų | 67 | 51.8 Ų | 51.8 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 156.9 | 179.7 | -67.1 | 177.2 | -175.5 | 161.2 | 0 | 111.7 | Q519 V526 F598 T599 L600 | Q519-K521 HydrophobicContact CG-CG 4.29Å; K521-V526 CarbonylContact C-O 3.49Å; K521-V526 VanDerWaalsContact CA-O 3.23Å; K521-V526 WeakPolarHBondContact CA-O 3.25Å; K521-F598 PolarHBondContact N-O 2.94Å; K521-T599 CarbonylContact O-C 3.59Å; K521-T599 WeakPolarHBondContact O-CA 3.33Å; K521-L600 PolarHBondContact O-N 2.67Å |
| 522 | Y | 85.8 | Confident | 89.8 | Confident | 71 Ų | 71 | 48.9 Ų | 48.9 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 163.8 | 161.7 | -66.4 | -62.7 | 0 | 0 | 0 | 111.3 | A524 G525 V526 V528 L600 P602 | Y522-A524 PolarHBondContact O-N 3.39Å; Y522-G525 WeakPolarHBondContact O-CA 3.32Å; Y522-G525 PolarHBondContact O-N 2.81Å; Y522-V526 HydrophobicContact CD2-CB 4.16Å; Y522-V526 HydrophobicContact CD2-CG1 4.27Å; Y522-V526 PolarHBondContact N-O 2.83Å; Y522-V528 HydrophobicContact CD1-CG2 3.91Å; Y522-V528 HydrophobicContact CD2-CG2 3.51Å; Y522-V528 HydrophobicContact CE1-CG2 3.86Å; Y522-V528 HydrophobicContact CE2-CB 4.37Å; Y522-V528 HydrophobicContact CE2-CG1 4.23Å; Y522-V528 HydrophobicContact CE2-CG2 3.45Å; Y522-V528 VanDerWaalsContact CE2-CG2 3.45Å; Y522-V528 HydrophobicContact CG-CG2 3.75Å; Y522-L600 CarbonylContact C-O 3.59Å; Y522-L600 VanDerWaalsContact CA-O 3.22Å; Y522-L600 WeakPolarHBondContact CA-O 2.98Å; Y522-L600 HydrophobicContact CD1-CB 3.73Å; Y522-L600 HydrophobicContact CE1-CB 3.98Å; Y522-P602 HydrophobicContact CD1-CG 4.11Å; Y522-P602 HydrophobicContact CE1-CB 4.26Å; Y522-P602 HydrophobicContact CE1-CG 4.19Å |
| 523 | L | 79.6 | Confident | 89.9 | Confident | 120 Ų | 120 | 44.9 Ų | 44.9 | 63% | 0.628 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | -32.8 | 171.2 | -83.9 | 153 | 0 | 0 | 0 | 113.7 | G525 T599 L600 | L523-G525 PolarHBondContact O-N 2.84Å; L523-T599 HydrophobicContact CD2-CG2 4.28Å; L523-T599 HydrophobicContact CG-CG2 4Å; L523-L600 PolarHBondContact N-O 2.79Å |
| 524 | A | 79.4 | Confident | 90 | Very high | 87 Ų | 87 | 45.1 Ų | 45.1 | 72% | 0.719 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | 1.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y522 V526 | Y522-A524 PolarHBondContact O-N 3.39Å; A524-V526 VanDerWaalsContact C-N 3.26Å; A524-V526 HydrophobicContact CB-CG2 4.22Å; A524-V526 PolarHBondContact O-N 3.47Å |
| 525 | G | 82.7 | Confident | 90 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 80.9 | -0.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y522 L523 | Y522-G525 WeakPolarHBondContact O-CA 3.32Å; Y522-G525 PolarHBondContact O-N 2.81Å; L523-G525 PolarHBondContact O-N 2.84Å |
| 526 | V | 85.9 | Confident | 90.1 | Very high | 77 Ų | 77 | 45.1 Ų | 45.1 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | trans | -72.9 | 129.2 | 179.7 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | K521 Y522 A524 | K521-V526 CarbonylContact C-O 3.49Å; K521-V526 VanDerWaalsContact CA-O 3.23Å; K521-V526 WeakPolarHBondContact CA-O 3.25Å; Y522-V526 HydrophobicContact CD2-CB 4.16Å; Y522-V526 HydrophobicContact CD2-CG1 4.27Å; Y522-V526 PolarHBondContact N-O 2.83Å; A524-V526 VanDerWaalsContact C-N 3.26Å; A524-V526 HydrophobicContact CB-CG2 4.22Å; A524-V526 PolarHBondContact O-N 3.47Å | ||
| 527 | P | 90.3 | Very high | 90.1 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 32% | 0.318 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 149.1 | 179.5 | 27.7 | -35 | 0 | 0 | 0 | 113 | S552 | P527-S552 WeakPolarHBondContact CB-O 3.14Å |
| 528 | V | 87.6 | Confident | 89.8 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | trans | -117.4 | 115.1 | 178.7 | -164.7 | 0 | 0 | 0 | 0 | 110 | V520 Y522 I531 S549 G553 L600 | V520-V528 HydrophobicContact CB-CB 4.43Å; V520-V528 HydrophobicContact CG1-CB 4.04Å; V520-V528 HydrophobicContact CG1-CG2 4.37Å; V520-V528 PolarHBondContact O-N 3.3Å; Y522-V528 HydrophobicContact CD1-CG2 3.91Å; Y522-V528 HydrophobicContact CD2-CG2 3.51Å; Y522-V528 HydrophobicContact CE1-CG2 3.86Å; Y522-V528 HydrophobicContact CE2-CB 4.37Å; Y522-V528 HydrophobicContact CE2-CG1 4.23Å; Y522-V528 HydrophobicContact CE2-CG2 3.45Å; Y522-V528 VanDerWaalsContact CE2-CG2 3.45Å; Y522-V528 HydrophobicContact CG-CG2 3.75Å; V528-I531 HydrophobicContact CB-CG1 4.16Å; V528-I531 HydrophobicContact CG1-CD1 3.91Å; V528-I531 HydrophobicContact CG1-CG1 3.62Å; V528-S549 WeakPolarHBondContact O-CB 3.47Å; V528-S549 PolarHBondContact O-OG 3.25Å; V528-G553 WeakPolarHBondContact O-CA 3.44Å; V528-L600 HydrophobicContact CB-CD1 4.06Å; V528-L600 HydrophobicContact CG1-CD1 3.86Å; V528-L600 HydrophobicContact CG2-CD1 3.95Å | ||
| 529 | F | 88.8 | Confident | 89.5 | Confident | 151 Ų | 151 | 52.1 Ų | 52.1 | 66% | 0.662 | 30% | 0.302 | S | S | * | . | trans | -90.4 | 157 | 179.2 | 74.1 | -88.2 | 0 | 0 | 0 | 111.7 | I531 S549 D550 | F529-I531 VanDerWaalsContact C-N 3.3Å; F529-I531 PolarHBondContact O-N 2.79Å; F529-S549 WeakPolarHBondContact CA-OG 3.26Å; F529-D550 VanDerWaalsContact CA-O 3.27Å; F529-D550 WeakPolarHBondContact CA-O 3.43Å; F529-D550 WeakPolarHBondContact CB-O 3.39Å | ||
| 530 | G | 89.1 | Confident | 89.3 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 47% | 0.474 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 77.9 | 11 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S549 | G530-S549 PolarHBondContact N-O 2.96Å; G530-S549 PolarHBondContact N-OG 3.43Å |
| 531 | I | 88.6 | Confident | 89.1 | Confident | 29 Ų | 29 | 59.2 Ų | 59.2 | 15% | 0.149 | 34% | 0.343 | C | S | . | . | trans | -87.8 | 126.9 | 177.9 | -56.8 | -60.2 | 0 | 0 | 0 | 109.2 | V520 V528 F529 T548 S549 L570 L600 | V520-I531 HydrophobicContact CG1-CB 4.45Å; V520-I531 HydrophobicContact CG1-CG1 4.19Å; V520-I531 HydrophobicContact CG1-CG2 4.42Å; V520-I531 HydrophobicContact CG2-CB 4.37Å; V520-I531 HydrophobicContact CG2-CG2 4.33Å; V528-I531 HydrophobicContact CB-CG1 4.16Å; V528-I531 HydrophobicContact CG1-CD1 3.91Å; V528-I531 HydrophobicContact CG1-CG1 3.62Å; F529-I531 VanDerWaalsContact C-N 3.3Å; F529-I531 PolarHBondContact O-N 2.79Å; I531-T548 CarbonylContact O-C 3.49Å; I531-T548 WeakPolarHBondContact O-CA 3.15Å; I531-S549 WeakPolarHBondContact CB-OG 3.45Å; I531-S549 PolarHBondContact N-OG 3.26Å; I531-S549 PolarHBondContact O-N 3.47Å; I531-L570 HydrophobicContact CG2-CB 4.45Å; I531-L570 HydrophobicContact CG2-CD1 4.02Å; I531-L570 HydrophobicContact CG2-CD2 3.84Å; I531-L570 HydrophobicContact CG2-CG 4.34Å; I531-L600 HydrophobicContact CD1-CD1 4.13Å; I531-L600 HydrophobicContact CG1-CD1 4.17Å | ||
| 532 | V | 92.7 | Very high | 89 | Confident | 39 Ų | 39 | 63.3 Ų | 63.3 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 124.4 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | E546 A547 K571 | V532-E546 HydrophobicContact CG1-CB 4.47Å; V532-A547 WeakPolarHBondContact CA-O 3.1Å; V532-K571 HydrophobicContact CB-CB 4.19Å; V532-K571 HydrophobicContact CG1-CB 4.09Å; V532-K571 HydrophobicContact CG1-CD 4.15Å; V532-K571 PolarHBondContact O-N 3.21Å |
| 533 | V | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.7 | 173.2 | -166.4 | 0 | 0 | 0 | 0 | 108.2 | V520 E546 A547 Y555 L557 V568 R569 L570 F598 | V520-V533 HydrophobicContact CG2-CG2 4.37Å; V533-E546 CarbonylContact O-C 3.55Å; V533-E546 VanDerWaalsContact O-CA 3.3Å; V533-E546 WeakPolarHBondContact O-CA 3.3Å; V533-A547 PolarHBondContact N-O 3.14Å; V533-A547 PolarHBondContact O-N 2.72Å; V533-Y555 HydrophobicContact CB-CD2 3.99Å; V533-Y555 HydrophobicContact CB-CE2 4Å; V533-Y555 HydrophobicContact CB-CG 4.29Å; V533-Y555 HydrophobicContact CG1-CD2 4.19Å; V533-Y555 HydrophobicContact CG1-CE1 4.4Å; V533-Y555 HydrophobicContact CG1-CE2 3.67Å; V533-Y555 HydrophobicContact CG2-CD1 3.68Å; V533-Y555 HydrophobicContact CG2-CD2 3.9Å; V533-Y555 HydrophobicContact CG2-CE1 3.82Å; V533-Y555 HydrophobicContact CG2-CE2 4.07Å; V533-Y555 HydrophobicContact CG2-CG 3.69Å; V533-L557 HydrophobicContact CG1-CD1 4.09Å; V533-V568 HydrophobicContact CG1-CG1 3.7Å; V533-R569 WeakPolarHBondContact CG1-O 3.44Å; V533-L570 HydrophobicContact CB-CD2 4.41Å; V533-L570 HydrophobicContact CG1-CD2 4.31Å; V533-L570 HydrophobicContact CG2-CD2 3.67Å; V533-F598 HydrophobicContact CG1-CE2 4.15Å |
| 534 | E | 94.7 | Very high | 89.9 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 142 | 175.6 | 64.7 | 179.2 | -166.2 | 0 | 0 | 111.1 | V536 Q544 E545 E546 V568 R569 | E534-V536 HydrophobicContact CG-CG2 4.43Å; E534-Q544 PolarHBondContact OE2-NE2 2.95Å; E534-E545 CarbonylContact C-O 3.58Å; E534-E545 WeakPolarHBondContact CA-O 3.43Å; E534-E546 HydrophobicContact CB-CG 4.07Å; E534-V568 CarbonylContact O-C 3.6Å; E534-V568 VanDerWaalsContact O-CA 3.32Å; E534-V568 WeakPolarHBondContact O-CA 3.2Å; E534-R569 HydrophobicContact CG-CG 3.82Å; E534-R569 PolarHBondContact N-O 3.06Å; E534-R569 PolarHBondContact O-N 3.01Å; E534-R569 IonicContact OE1-CZ 3.15Å; E534-R569 IonicContact OE1-NE 2.67Å; E534-R569 PolarHBondContact OE1-NE 3.38Å; E534-R569 IonicContact OE1-NH2 2.76Å; E534-R569 PolarHBondContact OE1-NH2 2.9Å |
| 535 | A | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q544 E545 L557 L560 Y566 T567 V568 | A535-Q544 WeakPolarHBondContact O-CA 3.47Å; A535-E545 PolarHBondContact N-O 3.4Å; A535-E545 PolarHBondContact O-N 3.22Å; A535-L557 HydrophobicContact CB-CD1 3.75Å; A535-L557 HydrophobicContact CB-CD2 4.33Å; A535-L560 HydrophobicContact CB-CD2 3.99Å; A535-Y566 HydrophobicContact CB-CD1 3.84Å; A535-Y566 HydrophobicContact CB-CG 4.39Å; A535-T567 WeakPolarHBondContact CA-O 3.42Å; A535-V568 HydrophobicContact CB-CG2 4.21Å |
| 536 | V | 94.8 | Very high | 91.2 | Very high | 25 Ų | 25 | 59.4 Ų | 59.4 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126.6 | -178.8 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | E534 Q544 Y566 T567 | E534-V536 HydrophobicContact CG-CG2 4.43Å; V536-Q544 HydrophobicContact CG2-CG 4.1Å; V536-Y566 WeakPolarHBondContact O-CA 3.48Å; V536-T567 PolarHBondContact N-O 2.9Å; V536-T567 PolarHBondContact O-N 3.45Å |
| 537 | S | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121.4 | 173.8 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | N539 C540 Q542 H543 E565 Y566 | S537-N539 PolarHBondContact OG-N 3.14Å; S537-N539 PolarHBondContact OG-OD1 3.09Å; S537-C540 PolarHBondContact OG-N 2.91Å; S537-Q542 CarbonylContact O-C 3.54Å; S537-Q542 WeakPolarHBondContact O-CA 3.25Å; S537-Q542 PolarHBondContact O-N 3.38Å; S537-H543 PolarHBondContact N-O 2.94Å; S537-H543 PolarHBondContact O-N 2.82Å; S537-E565 VanDerWaalsContact CA-O 3.25Å; S537-E565 WeakPolarHBondContact CA-O 3.33Å; S537-E565 VanDerWaalsContact CB-O 3.3Å; S537-E565 WeakPolarHBondContact CB-O 3.36Å; S537-E565 PolarHBondContact OG-O 3.17Å; S537-Y566 VanDerWaalsContact CB-CE1 3.46Å |
| 538 | N | 89.1 | Confident | 91.7 | Very high | 133 Ų | 133 | 58.2 Ų | 58.2 | 71% | 0.711 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -81.4 | -21.6 | 174.9 | -70.2 | -26.1 | 0 | 0 | 0 | 112.8 | ||
| 539 | N | 88.7 | Confident | 92 | Very high | 92 Ų | 92 | 58.1 Ų | 58.1 | 49% | 0.492 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -94.8 | -9.9 | -174.6 | 68.2 | -36.8 | 0 | 0 | 0 | 114.4 | S537 E565 | S537-N539 PolarHBondContact OG-N 3.14Å; S537-N539 PolarHBondContact OG-OD1 3.09Å; N539-E565 PolarHBondContact ND2-N 2.99Å; N539-E565 PolarHBondContact OD1-N 2.97Å; N539-E565 PolarHBondContact OD1-O 3.29Å |
| 540 | C | 89.9 | Confident | 92.2 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -122.1 | 73 | 177.5 | -65.3 | 0 | 0 | 0 | 0 | 110.4 | S537 Q542 H543 C564 | S537-C540 PolarHBondContact OG-N 2.91Å; C540-Q542 VanDerWaalsContact C-N 3.26Å; C540-Q542 PolarHBondContact O-N 3.36Å; C540-Q542 VanDerWaalsContact O-N 3.09Å; C540-H543 WeakPolarHBondContact O-CB 3.17Å; C540-H543 PolarHBondContact O-N 2.9Å; C540-C564 HydrophobicContact CB-CB 3.86Å; C540-C564 WeakPolarHBondContact CB-SG 3.29Å; C540-C564 VanDerWaalsContact SG-CA 3.57Å; C540-C564 WeakPolarHBondContact SG-CB 3.31Å; C540-C564 CovalentContact SG-SG 2.01Å; C540-C564 PolarHBondContact SG-SG 3.48Å |
| 541 | D | 88.7 | Confident | 92.2 | Very high | 169 Ų | 169 | 60.7 Ų | 60.7 | 90% | 0.904 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 37 | 173.7 | -63.9 | -26.7 | 0 | 0 | 0 | 115.7 | H543 | D541-H543 PolarHBondContact O-N 2.82Š|
| 542 | Q | 88.1 | Confident | 92.4 | Very high | 153 Ų | 153 | 62.3 Ų | 62.3 | 72% | 0.715 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 30.3 | -175.3 | -58.8 | -170.7 | -17.7 | 0 | 0 | 113.3 | S537 C540 Q544 | S537-Q542 CarbonylContact O-C 3.54Å; S537-Q542 WeakPolarHBondContact O-CA 3.25Å; S537-Q542 PolarHBondContact O-N 3.38Å; C540-Q542 VanDerWaalsContact C-N 3.26Å; C540-Q542 PolarHBondContact O-N 3.36Å; C540-Q542 VanDerWaalsContact O-N 3.09Å; Q542-Q544 PolarHBondContact O-N 3.29Å |
| 543 | H | 92.1 | Very high | 92.3 | Very high | 41 Ų | 41 | 60.5 Ų | 60.5 | 19% | 0.19 | 32% | 0.318 | C | S | . | . | trans | -55.4 | 125.1 | 178.2 | -171.6 | 92.6 | 0 | 0 | 0 | 110.1 | S537 C540 D541 E545 G559 Q561 Y566 | S537-H543 PolarHBondContact N-O 2.94Å; S537-H543 PolarHBondContact O-N 2.82Å; C540-H543 WeakPolarHBondContact O-CB 3.17Å; C540-H543 PolarHBondContact O-N 2.9Å; D541-H543 PolarHBondContact O-N 2.82Å; H543-E545 IonicContact CE1-OE1 3.68Å; H543-E545 WeakPolarHBondContact NE2-CG 3.34Å; H543-E545 IonicContact NE2-OE1 3.27Å; H543-E545 PolarHBondContact NE2-OE1 2.85Å; H543-G559 PolarHBondContact NE2-O 2.81Å; H543-Q561 PolarHBondContact ND1-NE2 2.98Å; H543-Q561 VanDerWaalsContact ND1-NE2 3.18Å; H543-Y566 AromaticContact CD2-CE1 3.77Å; H543-Y566 AromaticContact CD2-CZ 3.79Å; H543-Y566 PolarHBondContact CD2-OH 3.09Å | ||
| 544 | Q | 93.5 | Very high | 92.3 | Very high | 89 Ų | 89 | 64 Ų | 64 | 42% | 0.416 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.9 | -176.5 | 176.5 | 170.8 | -3.3 | 0 | 0 | 109.9 | E534 A535 V536 Q542 E546 | E534-Q544 PolarHBondContact OE2-NE2 2.95Å; A535-Q544 WeakPolarHBondContact O-CA 3.47Å; V536-Q544 HydrophobicContact CG2-CG 4.1Å; Q542-Q544 PolarHBondContact O-N 3.29Å; Q544-E546 PolarHBondContact NE2-OE1 3.26Å |
| 545 | E | 94.7 | Very high | 92.4 | Very high | 29 Ų | 29 | 63.4 Ų | 63.4 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 147.6 | 170.8 | -72 | -65.3 | 164.4 | 0 | 0 | 110.1 | K484 E534 A535 H543 L557 R558 L560 | K484-E545 IonicContact NZ-OE1 2.66Å; K484-E545 IonicContact NZ-OE2 3.45Å; K484-E545 PolarHBondContact NZ-OE2 3.46Å; E534-E545 CarbonylContact C-O 3.58Å; E534-E545 WeakPolarHBondContact CA-O 3.43Å; A535-E545 PolarHBondContact N-O 3.4Å; A535-E545 PolarHBondContact O-N 3.22Å; H543-E545 IonicContact CE1-OE1 3.68Å; H543-E545 WeakPolarHBondContact NE2-CG 3.34Å; H543-E545 IonicContact NE2-OE1 3.27Å; H543-E545 PolarHBondContact NE2-OE1 2.85Å; E545-L557 HydrophobicContact CB-CD2 4.14Å; E545-L557 WeakPolarHBondContact O-CD2 3.24Å; E545-R558 VanDerWaalsContact CD-O 3.29Å; E545-R558 WeakPolarHBondContact CG-O 3.47Å; E545-L560 HydrophobicContact CB-CD2 4.05Å; E545-L560 HydrophobicContact CG-CD2 4.03Å |
| 546 | E | 94.6 | Very high | 92.3 | Very high | 82 Ų | 82 | 65.1 Ų | 65.1 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.5 | 178.7 | -63 | -173.2 | 169.3 | 0 | 0 | 110.8 | V532 V533 E534 Q544 K571 | V532-E546 HydrophobicContact CG1-CB 4.47Å; V533-E546 CarbonylContact O-C 3.55Å; V533-E546 VanDerWaalsContact O-CA 3.3Å; V533-E546 WeakPolarHBondContact O-CA 3.3Å; E534-E546 HydrophobicContact CB-CG 4.07Å; Q544-E546 PolarHBondContact NE2-OE1 3.26Å; E546-K571 IonicContact OE1-NZ 2.66Å; E546-K571 PolarHBondContact OE1-NZ 3.36Å; E546-K571 IonicContact OE2-NZ 3.75Å |
| 547 | A | 94.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 64 Ų | 64 | 12% | 0.116 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 149.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V532 V533 T556 L557 | V532-A547 WeakPolarHBondContact CA-O 3.1Å; V533-A547 PolarHBondContact N-O 3.14Å; V533-A547 PolarHBondContact O-N 2.72Å; A547-T556 VanDerWaalsContact CB-O 3.3Å; A547-T556 WeakPolarHBondContact CB-O 2.87Å; A547-L557 HydrophobicContact CB-CD2 3.85Å; A547-L557 HydrophobicContact CB-CG 4.03Å |
| 548 | T | 93.1 | Very high | 92.2 | Very high | 87 Ų | 87 | 69.3 Ų | 69.3 | 53% | 0.534 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.9 | 175.2 | -53 | 0 | 0 | 0 | 0 | 109.3 | I531 | I531-T548 CarbonylContact O-C 3.49Å; I531-T548 WeakPolarHBondContact O-CA 3.15Å |
| 549 | S | 92.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | trans | -65.1 | 134.1 | 174.8 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | V528 F529 G530 I531 I554 | V528-S549 WeakPolarHBondContact O-CB 3.47Å; V528-S549 PolarHBondContact O-OG 3.25Å; F529-S549 WeakPolarHBondContact CA-OG 3.26Å; G530-S549 PolarHBondContact N-O 2.96Å; G530-S549 PolarHBondContact N-OG 3.43Å; I531-S549 WeakPolarHBondContact CB-OG 3.45Å; I531-S549 PolarHBondContact N-OG 3.26Å; I531-S549 PolarHBondContact O-N 3.47Å; S549-I554 WeakPolarHBondContact CA-O 3.01Å | ||
| 550 | D | 92.7 | Very high | 92.6 | Very high | 75 Ų | 75 | 59 Ų | 59 | 40% | 0.401 | 30% | 0.303 | S | S | . | . | trans | -78.2 | -172.8 | 178.6 | 70.9 | 13.5 | 0 | 0 | 0 | 112.4 | F529 S552 G553 I554 | F529-D550 VanDerWaalsContact CA-O 3.27Å; F529-D550 WeakPolarHBondContact CA-O 3.43Å; F529-D550 WeakPolarHBondContact CB-O 3.39Å; D550-S552 PolarHBondContact O-N 3.2Å; D550-S552 VanDerWaalsContact OD1-C 3.26Å; D550-S552 VanDerWaalsContact OD1-CA 3.24Å; D550-S552 WeakPolarHBondContact OD1-CA 3.44Å; D550-S552 WeakPolarHBondContact OD1-CB 3.42Å; D550-S552 PolarHBondContact OD1-N 2.86Å; D550-G553 WeakPolarHBondContact O-CA 3.48Å; D550-G553 PolarHBondContact O-N 2.77Å; D550-G553 PolarHBondContact OD1-N 2.86Å; D550-I554 VanDerWaalsContact CG-O 3.28Å; D550-I554 PolarHBondContact N-O 2.89Å; D550-I554 PolarHBondContact OD1-N 2.9Å | ||
| 551 | Q | 90.5 | Very high | 92.7 | Very high | 175 Ų | 175 | 62 Ų | 62 | 82% | 0.818 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.5 | 178 | -66.9 | -178.8 | -9.7 | 0 | 0 | 113.7 | ||
| 552 | S | 91.7 | Very high | 92.8 | Very high | 64 Ų | 64 | 55.9 Ų | 55.9 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 3 | 173.3 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | Q519 P527 D550 I554 | Q519-S552 PolarHBondContact NE2-O 2.83Å; P527-S552 WeakPolarHBondContact CB-O 3.14Å; D550-S552 PolarHBondContact O-N 3.2Å; D550-S552 VanDerWaalsContact OD1-C 3.26Å; D550-S552 VanDerWaalsContact OD1-CA 3.24Å; D550-S552 WeakPolarHBondContact OD1-CA 3.44Å; D550-S552 WeakPolarHBondContact OD1-CB 3.42Å; D550-S552 PolarHBondContact OD1-N 2.86Å; S552-I554 PolarHBondContact O-N 3.03Å |
| 553 | G | 91 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | S | Bend | trans | 71.7 | 5.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q519 V520 V528 D550 | Q519-G553 CarbonylContact C-O 3.59Å; Q519-G553 VanDerWaalsContact CA-O 3.26Å; Q519-G553 WeakPolarHBondContact CA-O 3.36Å; Q519-G553 WeakPolarHBondContact CG-O 3.02Å; V520-G553 PolarHBondContact N-O 2.81Å; V528-G553 WeakPolarHBondContact O-CA 3.44Å; D550-G553 WeakPolarHBondContact O-CA 3.48Å; D550-G553 PolarHBondContact O-N 2.77Å; D550-G553 PolarHBondContact OD1-N 2.86Å |
| 554 | I | 95.2 | Very high | 92.8 | Very high | 73 Ų | 73 | 54.2 Ų | 54.2 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 140.4 | -178.2 | -61 | 171.9 | 0 | 0 | 0 | 108.2 | Q519 S549 D550 S552 | Q519-I554 HydrophobicContact CG-CG1 4.03Å; S549-I554 WeakPolarHBondContact CA-O 3.01Å; D550-I554 VanDerWaalsContact CG-O 3.28Å; D550-I554 PolarHBondContact N-O 2.89Å; D550-I554 PolarHBondContact OD1-N 2.9Å; S552-I554 PolarHBondContact O-N 3.03Å |
| 555 | Y | 95.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 152.6 | 173 | 70.1 | -93 | 0 | 0 | 0 | 110.4 | G518 V520 V533 L557 F596 F598 | G518-Y555 VanDerWaalsContact C-CD1 3.47Å; G518-Y555 PolarHBondContact N-O 3.44Å; G518-Y555 VanDerWaalsContact O-CD1 3.23Å; G518-Y555 WeakPolarHBondContact O-CD1 3.47Å; G518-Y555 PolarHBondContact O-N 2.92Å; V520-Y555 HydrophobicContact CG2-CD1 4.03Å; V520-Y555 HydrophobicContact CG2-CE1 4.15Å; V533-Y555 HydrophobicContact CB-CD2 3.99Å; V533-Y555 HydrophobicContact CB-CE2 4Å; V533-Y555 HydrophobicContact CB-CG 4.29Å; V533-Y555 HydrophobicContact CG1-CD2 4.19Å; V533-Y555 HydrophobicContact CG1-CE1 4.4Å; V533-Y555 HydrophobicContact CG1-CE2 3.67Å; V533-Y555 HydrophobicContact CG2-CD1 3.68Å; V533-Y555 HydrophobicContact CG2-CD2 3.9Å; V533-Y555 HydrophobicContact CG2-CE1 3.82Å; V533-Y555 HydrophobicContact CG2-CE2 4.07Å; V533-Y555 HydrophobicContact CG2-CG 3.69Å; Y555-L557 HydrophobicContact CD2-CD1 4.4Å; Y555-L557 HydrophobicContact CD2-CG 4.27Å; Y555-L557 HydrophobicContact CE2-CD1 3.94Å; Y555-L557 HydrophobicContact CE2-CG 4.29Å; Y555-F596 VanDerWaalsContact OH-CB 3.26Å; Y555-F596 WeakPolarHBondContact OH-CB 3.46Å; Y555-F596 PolarHBondContact OH-O 3.26Å; Y555-F598 HydrophobicContact CE1-CD2 4.24Å; Y555-F598 WeakPolarHBondContact OH-CE2 3.26Å |
| 556 | T | 94.4 | Very high | 92.9 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 22% | 0.221 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 110.4 | 176.3 | -50.9 | 0 | 0 | 0 | 0 | 109.3 | F517 A547 R558 | F517-T556 HydrophobicContact CD1-CG2 3.63Å; F517-T556 WeakPolarHBondContact CD1-OG1 3.45Å; F517-T556 HydrophobicContact CE1-CG2 3.26Å; F517-T556 WeakPolarHBondContact CE1-OG1 3.35Å; F517-T556 HydrophobicContact CG-CG2 4.44Å; F517-T556 HydrophobicContact CZ-CG2 3.8Å; A547-T556 VanDerWaalsContact CB-O 3.3Å; A547-T556 WeakPolarHBondContact CB-O 2.87Å; T556-R558 HydrophobicContact CG2-CG 3.69Å; T556-R558 PolarHBondContact O-N 3.35Å |
| 557 | L | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 115.4 | 169.4 | -74.2 | 160 | 0 | 0 | 0 | 107.8 | S515 C516 V533 A535 E545 A547 Y555 V568 | S515-L557 CarbonylContact C-O 3.6Å; S515-L557 WeakPolarHBondContact CA-O 3.37Å; S515-L557 WeakPolarHBondContact CB-O 3.26Å; C516-L557 PolarHBondContact N-O 3.2Å; C516-L557 PolarHBondContact O-N 2.87Å; V533-L557 HydrophobicContact CG1-CD1 4.09Å; A535-L557 HydrophobicContact CB-CD1 3.75Å; A535-L557 HydrophobicContact CB-CD2 4.33Å; E545-L557 HydrophobicContact CB-CD2 4.14Å; E545-L557 WeakPolarHBondContact O-CD2 3.24Å; A547-L557 HydrophobicContact CB-CD2 3.85Å; A547-L557 HydrophobicContact CB-CG 4.03Å; Y555-L557 HydrophobicContact CD2-CD1 4.4Å; Y555-L557 HydrophobicContact CD2-CG 4.27Å; Y555-L557 HydrophobicContact CE2-CD1 3.94Å; Y555-L557 HydrophobicContact CE2-CG 4.29Å; L557-V568 HydrophobicContact CD1-CG1 3.84Å |
| 558 | R | 92.4 | Very high | 93 | Very high | 113 Ų | 113 | 49.7 Ų | 49.7 | 43% | 0.426 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 148.5 | -173.6 | -62.6 | -176.8 | -178.6 | -153 | 4.8 | 111.1 | K484 E485 S515 E545 T556 | K484-R558 HydrophobicContact CB-CB 4.38Å; K484-R558 HydrophobicContact CD-CB 4.13Å; E485-R558 VanDerWaalsContact OE1-CB 3.26Å; E485-R558 WeakPolarHBondContact OE1-CB 3.37Å; E485-R558 WeakPolarHBondContact OE1-CD 3.34Å; E485-R558 WeakPolarHBondContact OE1-CG 3.5Å; E485-R558 IonicContact OE1-NE 3.95Å; S515-R558 WeakPolarHBondContact OG-CA 3.47Å; E545-R558 VanDerWaalsContact CD-O 3.29Å; E545-R558 WeakPolarHBondContact CG-O 3.47Å; T556-R558 HydrophobicContact CG2-CG 3.69Å; T556-R558 PolarHBondContact O-N 3.35Å |
| 559 | G | 92.2 | Very high | 93 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 83 | 28 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F514 H543 | F514-G559 PolarHBondContact O-N 2.81Å; H543-G559 PolarHBondContact NE2-O 2.81Å |
| 560 | L | 93.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 132 | 172.7 | -53.6 | -179.9 | 0 | 0 | 0 | 110.2 | F514 C516 A535 E545 Y566 F586 V588 | F514-L560 PolarHBondContact N-O 3.42Å; F514-L560 WeakPolarHBondContact O-CA 3.49Å; F514-L560 WeakPolarHBondContact O-CB 3.35Å; F514-L560 PolarHBondContact O-N 2.88Å; C516-L560 HydrophobicContact CB-CD1 3.83Å; A535-L560 HydrophobicContact CB-CD2 3.99Å; E545-L560 HydrophobicContact CB-CD2 4.05Å; E545-L560 HydrophobicContact CG-CD2 4.03Å; L560-Y566 HydrophobicContact CB-CD2 4.48Å; L560-Y566 HydrophobicContact CB-CE2 3.88Å; L560-Y566 HydrophobicContact CD2-CD1 4.05Å; L560-Y566 HydrophobicContact CD2-CD2 4.45Å; L560-Y566 HydrophobicContact CD2-CE1 3.77Å; L560-Y566 HydrophobicContact CD2-CE2 4.15Å; L560-Y566 HydrophobicContact CD2-CG 4.37Å; L560-F586 HydrophobicContact CD1-CZ 3.92Å; L560-V588 HydrophobicContact CB-CG1 4.3Å; L560-V588 HydrophobicContact CB-CG2 3.89Å; L560-V588 HydrophobicContact CD1-CG2 4.11Å |
| 561 | Q | 91.4 | Very high | 92.6 | Very high | 88 Ų | 88 | 52 Ų | 52 | 41% | 0.411 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -78.8 | 137.9 | -177 | -64.4 | -178.3 | 8 | 0 | 0 | 111 | H543 C564 Y566 V588 | H543-Q561 PolarHBondContact ND1-NE2 2.98Å; H543-Q561 VanDerWaalsContact ND1-NE2 3.18Å; Q561-C564 HydrophobicContact CB-CB 4.48Å; Q561-C564 VanDerWaalsContact CB-SG 3.5Å; Q561-C564 WeakPolarHBondContact O-CB 3.49Å; Q561-C564 PolarHBondContact O-N 2.65Å; Q561-Y566 PolarHBondContact N-OH 3.03Å; Q561-Y566 VanDerWaalsContact N-OH 3.08Å; Q561-V588 WeakPolarHBondContact O-CB 3.38Å; Q561-V588 WeakPolarHBondContact O-CG1 3.31Å |
| 562 | S | 90.1 | Very high | 91.6 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 144.2 | 176.6 | 57.5 | 0 | 0 | 0 | 0 | 111.9 | C564 | S562-C564 PolarHBondContact O-N 3.12Š|
| 563 | Y | 89.6 | Confident | 90.3 | Very high | 157 Ų | 157 | 49.8 Ų | 49.8 | 62% | 0.616 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69 | 7.7 | 179 | -48.7 | -75.2 | 0 | 0 | 0 | 115.6 | V588 Q590 | Y563-V588 WeakPolarHBondContact CA-O 3.26Å; Y563-V588 PolarHBondContact N-O 2.83Å; Y563-Q590 PolarHBondContact OH-NE2 3.4Å; Y563-Q590 VanDerWaalsContact OH-NE2 3.08Å |
| 564 | C | 92.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | trans | -90.8 | 142.5 | 173.8 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | C540 Q561 S562 Y566 T587 V588 | C540-C564 HydrophobicContact CB-CB 3.86Å; C540-C564 WeakPolarHBondContact CB-SG 3.29Å; C540-C564 VanDerWaalsContact SG-CA 3.57Å; C540-C564 WeakPolarHBondContact SG-CB 3.31Å; C540-C564 CovalentContact SG-SG 2.01Å; C540-C564 PolarHBondContact SG-SG 3.48Å; Q561-C564 HydrophobicContact CB-CB 4.48Å; Q561-C564 VanDerWaalsContact CB-SG 3.5Å; Q561-C564 WeakPolarHBondContact O-CB 3.49Å; Q561-C564 PolarHBondContact O-N 2.65Å; S562-C564 PolarHBondContact O-N 3.12Å; C564-Y566 HydrophobicContact CB-CD2 4.07Å; C564-Y566 HydrophobicContact CB-CE2 3.5Å; C564-Y566 VanDerWaalsContact CB-CE2 3.5Å; C564-T587 CarbonylContact O-C 3.52Å; C564-T587 WeakPolarHBondContact O-CA 3.34Å; C564-V588 PolarHBondContact O-N 3.17Å | ||
| 565 | E | 93.8 | Very high | 86.2 | Confident | 96 Ų | 96 | 62.4 Ų | 62.4 | 45% | 0.449 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 121.4 | 171.7 | -170.3 | -175.7 | -173.9 | 0 | 0 | 108.9 | S537 N539 F586 | S537-E565 VanDerWaalsContact CA-O 3.25Å; S537-E565 WeakPolarHBondContact CA-O 3.33Å; S537-E565 VanDerWaalsContact CB-O 3.3Å; S537-E565 WeakPolarHBondContact CB-O 3.36Å; S537-E565 PolarHBondContact OG-O 3.17Å; N539-E565 PolarHBondContact ND2-N 2.99Å; N539-E565 PolarHBondContact OD1-N 2.97Å; N539-E565 PolarHBondContact OD1-O 3.29Å; E565-F586 CarbonylContact C-O 3.54Å; E565-F586 WeakPolarHBondContact CA-O 3.34Å |
| 566 | Y | 95.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.7 | 179.9 | -74.8 | -88.4 | 0 | 0 | 0 | 111.2 | A535 V536 S537 H543 L560 Q561 C564 K585 F586 V588 | A535-Y566 HydrophobicContact CB-CD1 3.84Å; A535-Y566 HydrophobicContact CB-CG 4.39Å; V536-Y566 WeakPolarHBondContact O-CA 3.48Å; S537-Y566 VanDerWaalsContact CB-CE1 3.46Å; H543-Y566 AromaticContact CD2-CE1 3.77Å; H543-Y566 AromaticContact CD2-CZ 3.79Å; H543-Y566 PolarHBondContact CD2-OH 3.09Å; L560-Y566 HydrophobicContact CB-CD2 4.48Å; L560-Y566 HydrophobicContact CB-CE2 3.88Å; L560-Y566 HydrophobicContact CD2-CD1 4.05Å; L560-Y566 HydrophobicContact CD2-CD2 4.45Å; L560-Y566 HydrophobicContact CD2-CE1 3.77Å; L560-Y566 HydrophobicContact CD2-CE2 4.15Å; L560-Y566 HydrophobicContact CD2-CG 4.37Å; Q561-Y566 PolarHBondContact N-OH 3.03Å; Q561-Y566 VanDerWaalsContact N-OH 3.08Å; C564-Y566 HydrophobicContact CB-CD2 4.07Å; C564-Y566 HydrophobicContact CB-CE2 3.5Å; C564-Y566 VanDerWaalsContact CB-CE2 3.5Å; Y566-K585 WeakPolarHBondContact O-CA 3.14Å; Y566-F586 PolarHBondContact N-O 3.11Å; Y566-F586 PolarHBondContact O-N 2.88Å; Y566-V588 HydrophobicContact CD2-CB 4.49Å; Y566-V588 HydrophobicContact CD2-CG2 3.41Å; Y566-V588 VanDerWaalsContact CD2-CG2 3.41Å; Y566-V588 HydrophobicContact CE2-CB 4.49Å; Y566-V588 HydrophobicContact CE2-CG2 3.67Å |
| 567 | T | 95.3 | Very high | 82.9 | Confident | 22 Ų | 22 | 65.8 Ų | 65.8 | 14% | 0.135 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 114.8 | 163.9 | -55.7 | 0 | 0 | 0 | 0 | 108.8 | A535 V536 E583 Y584 K585 | A535-T567 WeakPolarHBondContact CA-O 3.42Å; V536-T567 PolarHBondContact N-O 2.9Å; V536-T567 PolarHBondContact O-N 3.45Å; T567-E583 HydrophobicContact CG2-CB 4.01Å; T567-E583 HydrophobicContact CG2-CG 4.44Å; T567-Y584 CarbonylContact C-O 3.56Å; T567-Y584 VanDerWaalsContact CA-O 3.31Å; T567-Y584 WeakPolarHBondContact CA-O 3.44Å; T567-K585 HydrophobicContact CG2-CG 4.08Å; T567-K585 WeakPolarHBondContact OG1-CE 3.44Å |
| 568 | V | 95.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.1 | 178 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | V533 E534 A535 L557 E583 Y584 F586 F596 F598 | V533-V568 HydrophobicContact CG1-CG1 3.7Å; E534-V568 CarbonylContact O-C 3.6Å; E534-V568 VanDerWaalsContact O-CA 3.32Å; E534-V568 WeakPolarHBondContact O-CA 3.2Å; A535-V568 HydrophobicContact CB-CG2 4.21Å; L557-V568 HydrophobicContact CD1-CG1 3.84Å; V568-E583 CarbonylContact O-C 3.6Å; V568-E583 VanDerWaalsContact O-CA 3.25Å; V568-E583 WeakPolarHBondContact O-CA 3.44Å; V568-Y584 PolarHBondContact N-O 2.88Å; V568-Y584 PolarHBondContact O-N 2.9Å; V568-F586 HydrophobicContact CG2-CD1 4.09Å; V568-F586 HydrophobicContact CG2-CE1 3.6Å; V568-F596 HydrophobicContact CB-CD1 4.37Å; V568-F596 HydrophobicContact CG2-CD1 4.08Å; V568-F596 HydrophobicContact CG2-CE1 4.27Å; V568-F598 HydrophobicContact CG1-CE2 4.16Å; V568-F598 HydrophobicContact CG1-CZ 4.34Å |
| 569 | R | 93.6 | Very high | 81.5 | Confident | 108 Ų | 108 | 65.2 Ų | 65.2 | 41% | 0.408 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 161.6 | 179.3 | 63.9 | -174.6 | -175.7 | -167.7 | -1.2 | 112.1 | V533 E534 E583 | V533-R569 WeakPolarHBondContact CG1-O 3.44Å; E534-R569 HydrophobicContact CG-CG 3.82Å; E534-R569 PolarHBondContact N-O 3.06Å; E534-R569 PolarHBondContact O-N 3.01Å; E534-R569 IonicContact OE1-CZ 3.15Å; E534-R569 IonicContact OE1-NE 2.67Å; E534-R569 PolarHBondContact OE1-NE 3.38Å; E534-R569 IonicContact OE1-NH2 2.76Å; E534-R569 PolarHBondContact OE1-NH2 2.9Å; R569-E583 HydrophobicContact CB-CB 4.17Å |
| 570 | L | 90.7 | Very high | 81.2 | Confident | 15 Ų | 15 | 71.4 Ų | 71.4 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 133.3 | 171.9 | -55.5 | -170.8 | 0 | 0 | 0 | 110.5 | V520 I531 V533 L572 V579 F598 L600 | V520-L570 HydrophobicContact CG1-CD1 4.36Å; V520-L570 HydrophobicContact CG2-CD2 4.07Å; I531-L570 HydrophobicContact CG2-CB 4.45Å; I531-L570 HydrophobicContact CG2-CD1 4.02Å; I531-L570 HydrophobicContact CG2-CD2 3.84Å; I531-L570 HydrophobicContact CG2-CG 4.34Å; V533-L570 HydrophobicContact CB-CD2 4.41Å; V533-L570 HydrophobicContact CG1-CD2 4.31Å; V533-L570 HydrophobicContact CG2-CD2 3.67Å; L570-L572 PolarHBondContact O-N 3.33Å; L570-V579 HydrophobicContact CD1-CB 4.37Å; L570-V579 HydrophobicContact CD1-CG1 3.47Å; L570-V579 VanDerWaalsContact CD1-CG1 3.47Å; L570-V579 HydrophobicContact CD1-CG2 3.93Å; L570-V579 HydrophobicContact CG-CG1 3.97Å; L570-F598 HydrophobicContact CD1-CB 3.95Å; L570-F598 HydrophobicContact CD1-CD1 4.41Å; L570-F598 HydrophobicContact CD1-CG 4.15Å; L570-F598 HydrophobicContact CD2-CB 4.11Å; L570-F598 HydrophobicContact CD2-CD1 4.31Å; L570-F598 HydrophobicContact CD2-CD2 3.51Å; L570-F598 HydrophobicContact CD2-CE2 3.92Å; L570-F598 HydrophobicContact CD2-CG 3.72Å; L570-F598 HydrophobicContact CD2-CZ 4.49Å; L570-F598 HydrophobicContact CG-CB 4.18Å; L570-F598 HydrophobicContact CG-CD1 3.97Å; L570-F598 HydrophobicContact CG-CD2 4.08Å; L570-F598 HydrophobicContact CG-CE1 4.36Å; L570-F598 HydrophobicContact CG-CE2 4.45Å; L570-F598 HydrophobicContact CG-CG 3.82Å; L570-L600 HydrophobicContact CD1-CD2 3.97Å |
| 571 | K | 86.3 | Confident | 81.1 | Confident | 94 Ų | 94 | 73.7 Ų | 73.7 | 41% | 0.409 | 37% | 0.369 | S | S | . | . | trans | -84.7 | 90.3 | 172.2 | -164.4 | 174.7 | -171.1 | 173.2 | 0 | 108.6 | V532 E546 S573 | V532-K571 HydrophobicContact CB-CB 4.19Å; V532-K571 HydrophobicContact CG1-CB 4.09Å; V532-K571 HydrophobicContact CG1-CD 4.15Å; V532-K571 PolarHBondContact O-N 3.21Å; E546-K571 IonicContact OE1-NZ 2.66Å; E546-K571 PolarHBondContact OE1-NZ 3.36Å; E546-K571 IonicContact OE2-NZ 3.75Å; K571-S573 PolarHBondContact O-N 2.9Å | ||
| 572 | L | 68.8 | Low | 80.9 | Confident | 95 Ų | 95 | 79.7 Ų | 79.7 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | trans | -73.9 | 110.6 | -176.1 | -68.9 | 166.8 | 0 | 0 | 0 | 111.2 | L570 Q577 V579 | L570-L572 PolarHBondContact O-N 3.33Å; L572-Q577 HydrophobicContact CD2-CB 4.42Å; L572-V579 HydrophobicContact CD1-CG2 3.95Å; L572-V579 HydrophobicContact CD2-CG2 3.8Å; L572-V579 HydrophobicContact CG-CG2 4.3Å | ||
| 573 | S | 64.3 | Low | 81 | Confident | 97 Ų | 97 | 81.6 Ų | 81.6 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | trans | -82.6 | -21.1 | 176.5 | -58.7 | 0 | 0 | 0 | 0 | 114.1 | K571 | K571-S573 PolarHBondContact O-N 2.9Š| ||
| 574 | H | 52.7 | Low | 81.3 | Confident | 150 Ų | 150 | 77.4 Ų | 77.4 | 69% | 0.694 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -132.5 | 133.9 | -172.4 | -58.7 | -66.3 | 0 | 0 | 0 | 112.5 | G576 | H574-G576 PolarHBondContact O-N 3.36Š|
| 575 | I | 48.3 | Very low | 81.4 | Confident | 187 Ų | 187 | 83.2 Ų | 83.2 | 96% | 0.959 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 124.6 | 178.1 | -63.2 | 157.8 | 0 | 0 | 0 | 109.3 | ||
| 576 | G | 55.8 | Low | 81.3 | Confident | 39 Ų | 39 | 80 Ų | 80 | 40% | 0.402 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 121.9 | -3.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | H574 I603 | H574-G576 PolarHBondContact O-N 3.36Å; G576-I603 VanDerWaalsContact O-CD1 3.24Å; G576-I603 WeakPolarHBondContact O-CD1 2.98Å |
| 577 | Q | 63.6 | Low | 81.2 | Confident | 70 Ų | 70 | 83.9 Ų | 83.9 | 33% | 0.327 | 41% | 0.409 | S | S | . | . | trans | -88.6 | 124.7 | 174 | -67.3 | -179.3 | 4.3 | 0 | 0 | 111.2 | L572 L600 | L572-Q577 HydrophobicContact CD2-CB 4.42Å; Q577-L600 HydrophobicContact CB-CD2 4.37Å | ||
| 578 | N | 73.8 | Confident | 81 | Confident | 85 Ų | 85 | 83 Ų | 83 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 129.5 | 171.8 | -71.8 | -32.8 | 0 | 0 | 0 | 110.3 | W580 L600 S601 | N578-W580 HydrophobicContact CB-CE3 4.17Å; N578-W580 HydrophobicContact CB-CH2 3.3Å; N578-W580 HydrophobicContact CB-CZ2 4.06Å; N578-W580 HydrophobicContact CB-CZ3 3.35Å; N578-L600 WeakPolarHBondContact O-CA 3.39Å; N578-S601 PolarHBondContact O-N 2.83Å; N578-S601 VanDerWaalsContact O-N 3.12Å |
| 579 | V | 84.8 | Confident | 80.7 | Confident | 16 Ų | 16 | 86.4 Ų | 86.4 | 10% | 0.097 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.8 | -177.9 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | L570 L572 F598 T599 L600 | L570-V579 HydrophobicContact CD1-CB 4.37Å; L570-V579 HydrophobicContact CD1-CG1 3.47Å; L570-V579 VanDerWaalsContact CD1-CG1 3.47Å; L570-V579 HydrophobicContact CD1-CG2 3.93Å; L570-V579 HydrophobicContact CG-CG1 3.97Å; L572-V579 HydrophobicContact CD1-CG2 3.95Å; L572-V579 HydrophobicContact CD2-CG2 3.8Å; L572-V579 HydrophobicContact CG-CG2 4.3Å; V579-F598 HydrophobicContact CG1-CB 4.26Å; V579-F598 HydrophobicContact CG1-CD1 3.66Å; V579-F598 HydrophobicContact CG1-CE1 4.47Å; V579-F598 HydrophobicContact CG1-CG 4.34Å; V579-T599 CarbonylContact C-O 3.59Å; V579-T599 WeakPolarHBondContact CA-O 3.48Å; V579-L600 HydrophobicContact CB-CD2 4.39Å; V579-L600 HydrophobicContact CG1-CD2 4.49Å; V579-L600 HydrophobicContact CG2-CD2 3.68Å |
| 580 | W | 84.5 | Confident | 80.4 | Confident | 138 Ų | 138 | 87 Ų | 87 | 52% | 0.523 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 133.2 | 172 | -68.6 | -85.4 | 0 | 0 | 0 | 113.4 | N578 T599 | N578-W580 HydrophobicContact CB-CE3 4.17Å; N578-W580 HydrophobicContact CB-CH2 3.3Å; N578-W580 HydrophobicContact CB-CZ2 4.06Å; N578-W580 HydrophobicContact CB-CZ3 3.35Å; W580-T599 PolarHBondContact N-O 2.65Å; W580-T599 PolarHBondContact O-N 3.29Å |
| 581 | P | 91.3 | Very high | 80.3 | Confident | 48 Ų | 48 | 91.7 Ų | 91.7 | 31% | 0.312 | 46% | 0.457 | S | S | . | . | S | Bend | cis | -65.7 | 168.4 | -15.9 | 31.6 | -33.4 | 0 | 0 | 0 | 110.7 | Y584 D597 F598 | P581-Y584 WeakPolarHBondContact CD-OH 3.47Å; P581-Y584 HydrophobicContact CG-CD1 4.46Å; P581-Y584 HydrophobicContact CG-CD2 3.92Å; P581-Y584 HydrophobicContact CG-CE1 3.9Å; P581-Y584 HydrophobicContact CG-CE2 3.26Å; P581-Y584 HydrophobicContact CG-CG 4.47Å; P581-Y584 WeakPolarHBondContact CG-OH 3.29Å; P581-D597 WeakPolarHBondContact CD-O 3.03Å; P581-F598 WeakPolarHBondContact O-CD1 3.18Å; P581-F598 VanDerWaalsContact O-CE1 3.29Å; P581-F598 WeakPolarHBondContact O-CE1 3.49Å |
| 582 | R | 87.9 | Confident | 80.5 | Confident | 215 Ų | 215 | 90 Ų | 90 | 81% | 0.811 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -71 | -35.5 | 179.2 | -76.1 | -168.9 | 175.3 | -154.5 | -0.9 | 113.1 | ||
| 583 | E | 93.3 | Very high | 81.7 | Confident | 79 Ų | 79 | 86.6 Ų | 86.6 | 37% | 0.369 | 44% | 0.436 | S | S | . | . | trans | -156.6 | 155.2 | -178.8 | 59.1 | -177.8 | -147.1 | 0 | 0 | 109.8 | T567 V568 R569 K585 | T567-E583 HydrophobicContact CG2-CB 4.01Å; T567-E583 HydrophobicContact CG2-CG 4.44Å; V568-E583 CarbonylContact O-C 3.6Å; V568-E583 VanDerWaalsContact O-CA 3.25Å; V568-E583 WeakPolarHBondContact O-CA 3.44Å; R569-E583 HydrophobicContact CB-CB 4.17Å; E583-K585 WeakPolarHBondContact OE1-CE 3.36Å; E583-K585 IonicContact OE1-NZ 2.72Å; E583-K585 PolarHBondContact OE1-NZ 3.41Å | ||
| 584 | Y | 95 | Very high | 83 | Confident | 69 Ų | 69 | 88.7 Ų | 88.7 | 27% | 0.271 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 143.5 | 166.3 | -72.7 | -85.8 | 0 | 0 | 0 | 109.3 | T567 V568 P581 F596 D597 F598 | T567-Y584 CarbonylContact C-O 3.56Å; T567-Y584 VanDerWaalsContact CA-O 3.31Å; T567-Y584 WeakPolarHBondContact CA-O 3.44Å; V568-Y584 PolarHBondContact N-O 2.88Å; V568-Y584 PolarHBondContact O-N 2.9Å; P581-Y584 WeakPolarHBondContact CD-OH 3.47Å; P581-Y584 HydrophobicContact CG-CD1 4.46Å; P581-Y584 HydrophobicContact CG-CD2 3.92Å; P581-Y584 HydrophobicContact CG-CE1 3.9Å; P581-Y584 HydrophobicContact CG-CE2 3.26Å; P581-Y584 HydrophobicContact CG-CG 4.47Å; P581-Y584 WeakPolarHBondContact CG-OH 3.29Å; Y584-F596 HydrophobicContact CD1-CD1 4.31Å; Y584-F596 HydrophobicContact CD2-CB 4.33Å; Y584-F596 HydrophobicContact CD2-CD1 4.15Å; Y584-F596 AromaticContact CG-CD1 3.8Å; Y584-F596 HydrophobicContact CG-CD1 3.8Å; Y584-F596 HydrophobicContact CG-CE1 4.48Å; Y584-D597 WeakPolarHBondContact CE2-O 3.42Å; Y584-D597 PolarHBondContact OH-O 2.87Å; Y584-F598 HydrophobicContact CD2-CE1 4.09Å; Y584-F598 HydrophobicContact CD2-CE2 4.26Å; Y584-F598 AromaticContact CD2-CZ 3.76Å; Y584-F598 HydrophobicContact CD2-CZ 3.76Å; Y584-F598 HydrophobicContact CE2-CE1 4.21Å; Y584-F598 HydrophobicContact CE2-CE2 4.47Å; Y584-F598 HydrophobicContact CE2-CZ 4.16Å |
| 585 | K | 93.6 | Very high | 84.8 | Confident | 124 Ų | 124 | 83.5 Ų | 83.5 | 54% | 0.539 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.1 | 173.5 | -71.5 | 177.4 | 172.1 | 151.7 | 0 | 109.2 | Y566 T567 E583 | Y566-K585 WeakPolarHBondContact O-CA 3.14Å; T567-K585 HydrophobicContact CG2-CG 4.08Å; T567-K585 WeakPolarHBondContact OG1-CE 3.44Å; E583-K585 WeakPolarHBondContact OE1-CE 3.36Å; E583-K585 IonicContact OE1-NZ 2.72Å; E583-K585 PolarHBondContact OE1-NZ 3.41Å |
| 586 | F | 93.4 | Very high | 87.1 | Confident | 30 Ų | 30 | 75.3 Ų | 75.3 | 13% | 0.132 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 157.6 | 179.6 | 81.3 | -70.6 | 0 | 0 | 0 | 112.1 | C516 L560 E565 Y566 V568 V588 F596 | C516-F586 HydrophobicContact CB-CZ 3.83Å; L560-F586 HydrophobicContact CD1-CZ 3.92Å; E565-F586 CarbonylContact C-O 3.54Å; E565-F586 WeakPolarHBondContact CA-O 3.34Å; Y566-F586 PolarHBondContact N-O 3.11Å; Y566-F586 PolarHBondContact O-N 2.88Å; V568-F586 HydrophobicContact CG2-CD1 4.09Å; V568-F586 HydrophobicContact CG2-CE1 3.6Å; F586-V588 HydrophobicContact CD2-CG2 4.44Å; F586-V588 HydrophobicContact CE2-CG2 3.59Å; F586-V588 HydrophobicContact CZ-CG2 3.76Å; F586-F596 HydrophobicContact CB-CE1 4.24Å; F586-F596 HydrophobicContact CB-CZ 4.26Å; F586-F596 HydrophobicContact CD1-CD1 4.43Å; F586-F596 AromaticContact CD1-CE1 3.31Å; F586-F596 HydrophobicContact CD1-CE1 3.31Å; F586-F596 AromaticContact CD1-CZ 3.43Å; F586-F596 HydrophobicContact CD1-CZ 3.43Å; F586-F596 VanDerWaalsContact CD1-CZ 3.43Å; F586-F596 HydrophobicContact CD2-CE1 4.38Å; F586-F596 AromaticContact CD2-CZ 3.71Å; F586-F596 HydrophobicContact CD2-CZ 3.71Å; F586-F596 AromaticContact CE1-CE1 3.63Å; F586-F596 HydrophobicContact CE1-CE1 3.63Å; F586-F596 HydrophobicContact CE1-CE2 4.36Å; F586-F596 AromaticContact CE1-CZ 3.52Å; F586-F596 HydrophobicContact CE1-CZ 3.52Å; F586-F596 HydrophobicContact CE2-CE2 4.42Å; F586-F596 AromaticContact CE2-CZ 3.79Å; F586-F596 HydrophobicContact CE2-CZ 3.79Å; F586-F596 AromaticContact CG-CE1 3.73Å; F586-F596 HydrophobicContact CG-CE1 3.73Å; F586-F596 AromaticContact CG-CZ 3.52Å; F586-F596 HydrophobicContact CG-CZ 3.52Å; F586-F596 HydrophobicContact CZ-CE1 4.28Å; F586-F596 HydrophobicContact CZ-CE2 4.25Å; F586-F596 AromaticContact CZ-CZ 3.69Å; F586-F596 HydrophobicContact CZ-CZ 3.69Å |
| 587 | T | 93.3 | Very high | 88.9 | Confident | 80 Ų | 80 | 76.9 Ų | 76.9 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 128.4 | 173.5 | -50.6 | 0 | 0 | 0 | 0 | 110.3 | C564 T589 | C564-T587 CarbonylContact O-C 3.52Å; C564-T587 WeakPolarHBondContact O-CA 3.34Å; T587-T589 PolarHBondContact O-N 2.52Å |
| 588 | V | 90.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 73.6 Ų | 73.6 | 2% | 0.018 | 37% | 0.367 | C | S | . | . | trans | -73.3 | 125.3 | -179.1 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | F514 L560 Q561 Y563 C564 Y566 F586 | F514-V588 HydrophobicContact CB-CG1 4.05Å; F514-V588 HydrophobicContact CD2-CG1 4.33Å; L560-V588 HydrophobicContact CB-CG1 4.3Å; L560-V588 HydrophobicContact CB-CG2 3.89Å; L560-V588 HydrophobicContact CD1-CG2 4.11Å; Q561-V588 WeakPolarHBondContact O-CB 3.38Å; Q561-V588 WeakPolarHBondContact O-CG1 3.31Å; Y563-V588 WeakPolarHBondContact CA-O 3.26Å; Y563-V588 PolarHBondContact N-O 2.83Å; C564-V588 PolarHBondContact O-N 3.17Å; Y566-V588 HydrophobicContact CD2-CB 4.49Å; Y566-V588 HydrophobicContact CD2-CG2 3.41Å; Y566-V588 VanDerWaalsContact CD2-CG2 3.41Å; Y566-V588 HydrophobicContact CE2-CB 4.49Å; Y566-V588 HydrophobicContact CE2-CG2 3.67Å; F586-V588 HydrophobicContact CD2-CG2 4.44Å; F586-V588 HydrophobicContact CE2-CG2 3.59Å; F586-V588 HydrophobicContact CZ-CG2 3.76Å | ||
| 589 | T | 89 | Confident | 91.1 | Very high | 73 Ų | 73 | 71.9 Ų | 71.9 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | trans | -94.3 | -173.9 | 176.2 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | F514 T587 N591 | F514-T589 WeakPolarHBondContact CD2-O 3.48Å; T587-T589 PolarHBondContact O-N 2.52Å; T589-N591 PolarHBondContact O-N 3.08Å; T589-N591 VanDerWaalsContact O-N 3.1Å; T589-N591 PolarHBondContact OG1-N 3.31Å; T589-N591 PolarHBondContact OG1-O 3.48Å | ||
| 590 | Q | 87.1 | Confident | 91.1 | Very high | 119 Ų | 119 | 71.1 Ų | 71.1 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -78.7 | 25.3 | 171.8 | -65.6 | -172.7 | -10.7 | 0 | 0 | 113.3 | F514 Y563 | F514-Q590 HydrophobicContact CE1-CB 4.49Å; F514-Q590 WeakPolarHBondContact CE1-O 3.37Å; F514-Q590 HydrophobicContact CE2-CB 4.34Å; F514-Q590 HydrophobicContact CE2-CG 4.48Å; F514-Q590 VanDerWaalsContact CZ-C 3.44Å; F514-Q590 VanDerWaalsContact CZ-CA 3.41Å; F514-Q590 HydrophobicContact CZ-CB 3.91Å; F514-Q590 HydrophobicContact CZ-CG 4.4Å; F514-Q590 WeakPolarHBondContact CZ-O 3.22Å; Y563-Q590 PolarHBondContact OH-NE2 3.4Å; Y563-Q590 VanDerWaalsContact OH-NE2 3.08Å |
| 591 | N | 89.4 | Confident | 90.5 | Very high | 115 Ų | 115 | 66 Ų | 66 | 62% | 0.615 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -142.4 | 155 | 177.8 | -74.2 | -34.5 | 0 | 0 | 0 | 109.6 | T589 | T589-N591 PolarHBondContact O-N 3.08Å; T589-N591 VanDerWaalsContact O-N 3.1Å; T589-N591 PolarHBondContact OG1-N 3.31Å; T589-N591 PolarHBondContact OG1-O 3.48Å |
| 592 | D | 91.2 | Very high | 89.4 | Confident | 59 Ų | 59 | 66.8 Ų | 66.8 | 32% | 0.316 | 35% | 0.346 | S | S | . | . | trans | -65 | 149.2 | 172.5 | -65.1 | -30.9 | 0 | 0 | 0 | 112 | R511 S515 F517 | R511-D592 IonicContact CZ-OD1 3.11Å; R511-D592 IonicContact CZ-OD2 3.96Å; R511-D592 IonicContact NH1-OD2 3Å; R511-D592 IonicContact NH2-OD1 3.6Å; R511-D592 PolarHBondContact NH2-OD1 2.93Å; R511-D592 IonicContact NH2-OD2 3.7Å; R511-D592 PolarHBondContact NH2-OD2 3.25Å; S515-D592 PolarHBondContact N-OD1 3.29Å; S515-D592 VanDerWaalsContact O-CA 3.27Å; S515-D592 WeakPolarHBondContact O-CA 3.42Å; S515-D592 WeakPolarHBondContact O-CB 3.19Å; F517-D592 HydrophobicContact CD2-CB 4.43Å; F517-D592 HydrophobicContact CE2-CB 3.81Å | ||
| 593 | S | 92.2 | Very high | 88.1 | Confident | 22 Ų | 22 | 61.6 Ų | 61.6 | 15% | 0.154 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.5 | -177 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | S515 C516 F517 | S515-S593 PolarHBondContact O-N 3.36Å; C516-S593 CarbonylContact C-O 3.58Å; C516-S593 WeakPolarHBondContact CA-O 3.37Å; F517-S593 PolarHBondContact N-O 2.96Å |
| 594 | I | 92.7 | Very high | 86.5 | Confident | 141 Ų | 141 | 63.4 Ų | 63.4 | 72% | 0.723 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124 | 160.9 | -177.4 | 64.2 | 171.4 | 0 | 0 | 0 | 111.1 | F517 | F517-I594 HydrophobicContact CB-CG2 4.2Å; F517-I594 HydrophobicContact CD2-CG2 4.03Å; F517-I594 HydrophobicContact CG-CG2 4.46Å |
| 595 | G | 91.2 | Very high | 85.1 | Confident | 42 Ų | 42 | 65.3 Ų | 65.3 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | trans | 100.1 | 22.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F517 D597 | F517-G595 PolarHBondContact O-N 2.96Å; G595-D597 VanDerWaalsContact C-N 3.3Å; G595-D597 PolarHBondContact O-N 2.88Å | ||
| 596 | F | 94.9 | Very high | 84.3 | Confident | 14 Ų | 14 | 65.3 Ų | 65.3 | 6% | 0.061 | 36% | 0.36 | C | S | . | . | trans | -87.3 | 63 | 176.8 | -59.5 | -85.8 | 0 | 0 | 0 | 110.7 | C516 F517 G518 Y555 V568 Y584 F586 | C516-F596 HydrophobicContact CB-CD2 3.87Å; C516-F596 HydrophobicContact CB-CE2 3.64Å; C516-F596 HydrophobicContact CB-CZ 4.39Å; F517-F596 WeakPolarHBondContact O-CD2 3.29Å; F517-F596 PolarHBondContact O-N 3.33Å; G518-F596 WeakPolarHBondContact CA-O 3.34Å; Y555-F596 VanDerWaalsContact OH-CB 3.26Å; Y555-F596 WeakPolarHBondContact OH-CB 3.46Å; Y555-F596 PolarHBondContact OH-O 3.26Å; V568-F596 HydrophobicContact CB-CD1 4.37Å; V568-F596 HydrophobicContact CG2-CD1 4.08Å; V568-F596 HydrophobicContact CG2-CE1 4.27Å; Y584-F596 HydrophobicContact CD1-CD1 4.31Å; Y584-F596 HydrophobicContact CD2-CB 4.33Å; Y584-F596 HydrophobicContact CD2-CD1 4.15Å; Y584-F596 AromaticContact CG-CD1 3.8Å; Y584-F596 HydrophobicContact CG-CD1 3.8Å; Y584-F596 HydrophobicContact CG-CE1 4.48Å; F586-F596 HydrophobicContact CB-CE1 4.24Å; F586-F596 HydrophobicContact CB-CZ 4.26Å; F586-F596 HydrophobicContact CD1-CD1 4.43Å; F586-F596 AromaticContact CD1-CE1 3.31Å; F586-F596 HydrophobicContact CD1-CE1 3.31Å; F586-F596 AromaticContact CD1-CZ 3.43Å; F586-F596 HydrophobicContact CD1-CZ 3.43Å; F586-F596 VanDerWaalsContact CD1-CZ 3.43Å; F586-F596 HydrophobicContact CD2-CE1 4.38Å; F586-F596 AromaticContact CD2-CZ 3.71Å; F586-F596 HydrophobicContact CD2-CZ 3.71Å; F586-F596 AromaticContact CE1-CE1 3.63Å; F586-F596 HydrophobicContact CE1-CE1 3.63Å; F586-F596 HydrophobicContact CE1-CE2 4.36Å; F586-F596 AromaticContact CE1-CZ 3.52Å; F586-F596 HydrophobicContact CE1-CZ 3.52Å; F586-F596 HydrophobicContact CE2-CE2 4.42Å; F586-F596 AromaticContact CE2-CZ 3.79Å; F586-F596 HydrophobicContact CE2-CZ 3.79Å; F586-F596 AromaticContact CG-CE1 3.73Å; F586-F596 HydrophobicContact CG-CE1 3.73Å; F586-F596 AromaticContact CG-CZ 3.52Å; F586-F596 HydrophobicContact CG-CZ 3.52Å; F586-F596 HydrophobicContact CZ-CE1 4.28Å; F586-F596 HydrophobicContact CZ-CE2 4.25Å; F586-F596 AromaticContact CZ-CZ 3.69Å; F586-F596 HydrophobicContact CZ-CZ 3.69Å | ||
| 597 | D | 94 | Very high | 83.6 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 39% | 0.39 | 37% | 0.373 | S | S | . | . | trans | -92.3 | 134.8 | -172.5 | -62.2 | -29.1 | 0 | 0 | 0 | 112.9 | Q519 P581 Y584 G595 | Q519-D597 PolarHBondContact N-OD1 3.36Å; Q519-D597 CarbonylContact O-C 3.53Å; Q519-D597 VanDerWaalsContact O-CA 3.3Å; Q519-D597 WeakPolarHBondContact O-CA 3.47Å; P581-D597 WeakPolarHBondContact CD-O 3.03Å; Y584-D597 WeakPolarHBondContact CE2-O 3.42Å; Y584-D597 PolarHBondContact OH-O 2.87Å; G595-D597 VanDerWaalsContact C-N 3.3Å; G595-D597 PolarHBondContact O-N 2.88Å | ||
| 598 | F | 93.9 | Very high | 83.1 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 0% | 0.004 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 135.2 | 178.4 | -68 | -81.1 | 0 | 0 | 0 | 111.9 | Q519 V520 K521 V533 Y555 V568 L570 V579 P581 Y584 | Q519-F598 PolarHBondContact O-N 3.31Å; V520-F598 CarbonylContact C-O 3.49Å; V520-F598 WeakPolarHBondContact CA-O 3.23Å; V520-F598 HydrophobicContact CG1-CB 4.38Å; V520-F598 HydrophobicContact CG2-CB 4.44Å; K521-F598 PolarHBondContact N-O 2.94Å; V533-F598 HydrophobicContact CG1-CE2 4.15Å; Y555-F598 HydrophobicContact CE1-CD2 4.24Å; Y555-F598 WeakPolarHBondContact OH-CE2 3.26Å; V568-F598 HydrophobicContact CG1-CE2 4.16Å; V568-F598 HydrophobicContact CG1-CZ 4.34Å; L570-F598 HydrophobicContact CD1-CB 3.95Å; L570-F598 HydrophobicContact CD1-CD1 4.41Å; L570-F598 HydrophobicContact CD1-CG 4.15Å; L570-F598 HydrophobicContact CD2-CB 4.11Å; L570-F598 HydrophobicContact CD2-CD1 4.31Å; L570-F598 HydrophobicContact CD2-CD2 3.51Å; L570-F598 HydrophobicContact CD2-CE2 3.92Å; L570-F598 HydrophobicContact CD2-CG 3.72Å; L570-F598 HydrophobicContact CD2-CZ 4.49Å; L570-F598 HydrophobicContact CG-CB 4.18Å; L570-F598 HydrophobicContact CG-CD1 3.97Å; L570-F598 HydrophobicContact CG-CD2 4.08Å; L570-F598 HydrophobicContact CG-CE1 4.36Å; L570-F598 HydrophobicContact CG-CE2 4.45Å; L570-F598 HydrophobicContact CG-CG 3.82Å; V579-F598 HydrophobicContact CG1-CB 4.26Å; V579-F598 HydrophobicContact CG1-CD1 3.66Å; V579-F598 HydrophobicContact CG1-CE1 4.47Å; V579-F598 HydrophobicContact CG1-CG 4.34Å; P581-F598 WeakPolarHBondContact O-CD1 3.18Å; P581-F598 VanDerWaalsContact O-CE1 3.29Å; P581-F598 WeakPolarHBondContact O-CE1 3.49Å; Y584-F598 HydrophobicContact CD2-CE1 4.09Å; Y584-F598 HydrophobicContact CD2-CE2 4.26Å; Y584-F598 AromaticContact CD2-CZ 3.76Å; Y584-F598 HydrophobicContact CD2-CZ 3.76Å; Y584-F598 HydrophobicContact CE2-CE1 4.21Å; Y584-F598 HydrophobicContact CE2-CE2 4.47Å; Y584-F598 HydrophobicContact CE2-CZ 4.16Å |
| 599 | T | 89.5 | Confident | 82.8 | Confident | 48 Ų | 48 | 69.7 Ų | 69.7 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.6 | 174.5 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | K521 L523 V579 W580 | K521-T599 CarbonylContact O-C 3.59Å; K521-T599 WeakPolarHBondContact O-CA 3.33Å; L523-T599 HydrophobicContact CD2-CG2 4.28Å; L523-T599 HydrophobicContact CG-CG2 4Å; V579-T599 CarbonylContact C-O 3.59Å; V579-T599 WeakPolarHBondContact CA-O 3.48Å; W580-T599 PolarHBondContact N-O 2.65Å; W580-T599 PolarHBondContact O-N 3.29Å |
| 600 | L | 84.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 146.6 | 177.8 | -68.2 | 177.2 | 0 | 0 | 0 | 112.2 | V520 K521 Y522 L523 V528 I531 L570 Q577 N578 V579 | V520-L600 HydrophobicContact CG1-CD1 3.65Å; V520-L600 HydrophobicContact CG1-CG 3.95Å; K521-L600 PolarHBondContact O-N 2.67Å; Y522-L600 CarbonylContact C-O 3.59Å; Y522-L600 VanDerWaalsContact CA-O 3.22Å; Y522-L600 WeakPolarHBondContact CA-O 2.98Å; Y522-L600 HydrophobicContact CD1-CB 3.73Å; Y522-L600 HydrophobicContact CE1-CB 3.98Å; L523-L600 PolarHBondContact N-O 2.79Å; V528-L600 HydrophobicContact CB-CD1 4.06Å; V528-L600 HydrophobicContact CG1-CD1 3.86Å; V528-L600 HydrophobicContact CG2-CD1 3.95Å; I531-L600 HydrophobicContact CD1-CD1 4.13Å; I531-L600 HydrophobicContact CG1-CD1 4.17Å; L570-L600 HydrophobicContact CD1-CD2 3.97Å; Q577-L600 HydrophobicContact CB-CD2 4.37Å; N578-L600 WeakPolarHBondContact O-CA 3.39Å; V579-L600 HydrophobicContact CB-CD2 4.39Å; V579-L600 HydrophobicContact CG1-CD2 4.49Å; V579-L600 HydrophobicContact CG2-CD2 3.68Å |
| 601 | S | 73.4 | Confident | 82.8 | Confident | 30 Ų | 30 | 65.5 Ų | 65.5 | 21% | 0.21 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 120.6 | 166.6 | -178.2 | 0 | 0 | 0 | 0 | 110 | N578 | N578-S601 PolarHBondContact O-N 2.83Å; N578-S601 VanDerWaalsContact O-N 3.12Å |
| 602 | P | 67 | Low | 82.8 | Confident | 66 Ų | 66 | 67.6 Ų | 67.6 | 43% | 0.429 | 36% | 0.362 | S | S | . | . | trans | -81.1 | 138 | 172.7 | 31 | -28.2 | 0 | 0 | 0 | 110.5 | Y522 | Y522-P602 HydrophobicContact CD1-CG 4.11Å; Y522-P602 HydrophobicContact CE1-CB 4.26Å; Y522-P602 HydrophobicContact CE1-CG 4.19Å | ||
| 603 | I | 61.6 | Low | 82.6 | Confident | 105 Ų | 105 | 65.6 Ų | 65.6 | 54% | 0.538 | 35% | 0.352 | S | S | . | . | trans | -91.9 | 110.6 | 166.3 | -57 | 175.4 | 0 | 0 | 0 | 106.5 | G576 | G576-I603 VanDerWaalsContact O-CD1 3.24Å; G576-I603 WeakPolarHBondContact O-CD1 2.98Å | ||
| 604 | N | 59.7 | Low | 82.3 | Confident | 118 Ų | 118 | 73.9 Ų | 73.9 | 63% | 0.631 | 39% | 0.388 | S | S | * | . | trans | -79 | 122.6 | 170.1 | -84.1 | 0.9 | 0 | 0 | 0 | 108.9 | F687 | N604-F687 WeakPolarHBondContact O-CE2 3.43Š| ||
| 605 | D | 65 | Low | 81.9 | Confident | 109 Ų | 109 | 69 Ų | 69 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | trans | -94 | 9.3 | -176.7 | 61.8 | -24.1 | 0 | 0 | 0 | 113.7 | P654 A655 | D605-P654 WeakPolarHBondContact O-CA 3.08Å; D605-A655 PolarHBondContact O-N 3.07Å | ||
| 606 | K | 76.7 | Confident | 81.6 | Confident | 124 Ų | 124 | 71.1 Ų | 71.1 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148.2 | -176 | -58.2 | 179.6 | -179.8 | 177.5 | 0 | 112.2 | A652 V653 | K606-A652 HydrophobicContact CB-CB 3.89Å; K606-V653 CarbonylContact C-O 3.5Å; K606-V653 WeakPolarHBondContact CA-O 3.26Å |
| 607 | M | 79.3 | Confident | 81.1 | Confident | 82 Ų | 82 | 74.4 Ų | 74.4 | 40% | 0.404 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146 | 176 | -83.3 | -148.2 | -174.6 | 0 | 0 | 112.1 | A652 V653 A655 V685 | M607-A652 CarbonylContact O-C 3.41Å; M607-A652 VanDerWaalsContact O-CA 3.29Å; M607-A652 WeakPolarHBondContact O-CA 3.42Å; M607-V653 PolarHBondContact N-O 3.05Å; M607-V653 PolarHBondContact O-N 3.36Å; M607-A655 HydrophobicContact CG-CB 4.13Å; M607-V685 HydrophobicContact CB-CG1 3.82Å; M607-V685 HydrophobicContact CG-CG1 4.37Å |
| 608 | D | 81.7 | Confident | 80.7 | Confident | 107 Ų | 107 | 77.4 Ų | 77.4 | 57% | 0.572 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 138.6 | 174.1 | -62.7 | -37.3 | 0 | 0 | 0 | 111.3 | I610 A652 | D608-I610 HydrophobicContact CB-CG1 4.42Å; D608-A652 WeakPolarHBondContact OD1-CB 3.46Å |
| 609 | V | 85.5 | Confident | 80.3 | Confident | 15 Ų | 15 | 82.2 Ų | 82.2 | 9% | 0.091 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 111.7 | 173.3 | 179 | 0 | 0 | 0 | 0 | 108.5 | I627 F650 V653 L683 V685 | V609-I627 HydrophobicContact CB-CD1 4.45Å; V609-I627 HydrophobicContact CG1-CD1 4.26Å; V609-I627 HydrophobicContact CG2-CD1 4.4Å; V609-F650 HydrophobicContact CB-CB 4.31Å; V609-F650 HydrophobicContact CB-CD2 4.44Å; V609-F650 HydrophobicContact CG1-CD2 4.21Å; V609-F650 PolarHBondContact O-N 2.97Å; V609-V653 HydrophobicContact CG2-CG2 3.62Å; V609-L683 HydrophobicContact CG1-CD1 4.27Å; V609-L683 HydrophobicContact CG1-CD2 3.92Å; V609-L683 HydrophobicContact CG2-CD1 4.18Å; V609-V685 HydrophobicContact CG2-CG2 4.38Å |
| 610 | I | 87.5 | Confident | 80.3 | Confident | 91 Ų | 91 | 80.9 Ų | 80.9 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.4 | -177.4 | -53.3 | -179.7 | 0 | 0 | 0 | 108.9 | D608 M647 F648 I649 | D608-I610 HydrophobicContact CB-CG1 4.42Å; I610-M647 HydrophobicContact CG2-CE 4.22Å; I610-M647 HydrophobicContact CG2-CG 4.06Å; I610-M647 HydrophobicContact CG2-SD 4.2Å; I610-F648 WeakPolarHBondContact CA-O 3.38Å; I610-I649 HydrophobicContact CB-CG1 4.49Å; I610-I649 HydrophobicContact CD1-CD1 4.42Å; I610-I649 HydrophobicContact CD1-CG1 4.39Å; I610-I649 HydrophobicContact CG1-CB 4.47Å; I610-I649 HydrophobicContact CG1-CG1 4.02Å; I610-I649 HydrophobicContact CG1-CG2 4.09Å; I610-I649 HydrophobicContact CG2-CG1 4.06Å |
| 611 | G | 88.6 | Confident | 80.5 | Confident | 14 Ų | 14 | 83.8 Ų | 83.8 | 14% | 0.144 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M647 F648 | G611-M647 CarbonylContact O-C 3.5Å; G611-M647 WeakPolarHBondContact O-CA 3.24Å; G611-F648 VanDerWaalsContact CA-CE1 3.49Å; G611-F648 VanDerWaalsContact CA-CZ 3.49Å; G611-F648 PolarHBondContact N-O 2.95Å; G611-F648 WeakPolarHBondContact O-CD1 3.46Å; G611-F648 PolarHBondContact O-N 2.83Å |
| 612 | Y | 88.5 | Confident | 81.2 | Confident | 159 Ų | 159 | 83.7 Ų | 83.7 | 62% | 0.624 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.8 | 179.5 | -60.3 | -95.9 | 0 | 0 | 0 | 110.9 | S646 M647 | Y612-S646 CarbonylContact C-O 3.47Å; Y612-S646 VanDerWaalsContact CA-O 3.26Å; Y612-S646 WeakPolarHBondContact CA-O 3.19Å; Y612-M647 HydrophobicContact CD1-CB 3.76Å; Y612-M647 HydrophobicContact CD1-CG 4.22Å; Y612-M647 HydrophobicContact CE1-CB 3.73Å; Y612-M647 HydrophobicContact CE1-CE 3.55Å; Y612-M647 HydrophobicContact CE1-CG 3.94Å; Y612-M647 HydrophobicContact CE2-CE 4.29Å; Y612-M647 WeakPolarHBondContact OH-CE 3.46Å |
| 613 | V | 87.5 | Confident | 82.2 | Confident | 17 Ų | 17 | 81 Ų | 81 | 10% | 0.103 | 42% | 0.415 | C | S | . | . | trans | -111 | 124.8 | 175.3 | 177.2 | 0 | 0 | 0 | 0 | 109.8 | L623 I625 I642 S646 F648 L664 | V613-L623 HydrophobicContact CG1-CD1 4.03Å; V613-I625 HydrophobicContact CG2-CD1 3.39Å; V613-I625 HydrophobicContact CG2-CG1 4.15Å; V613-I642 HydrophobicContact CB-CD1 3.68Å; V613-I642 HydrophobicContact CG1-CD1 3.87Å; V613-I642 HydrophobicContact CG2-CD1 3.49Å; V613-I642 VanDerWaalsContact CG2-CD1 3.49Å; V613-S646 PolarHBondContact N-O 3.11Å; V613-S646 WeakPolarHBondContact O-CB 3.36Å; V613-F648 HydrophobicContact CG2-CD1 4.04Å; V613-F648 HydrophobicContact CG2-CE1 3.87Å; V613-L664 HydrophobicContact CG1-CD1 4.21Å; V613-L664 HydrophobicContact CG1-CD2 4Å; V613-L664 HydrophobicContact CG2-CD1 4.22Å | ||
| 614 | H | 85.2 | Confident | 83.6 | Confident | 195 Ų | 195 | 78.5 Ų | 78.5 | 90% | 0.903 | 40% | 0.401 | S | S | * | . | trans | -94.2 | 107 | 174.5 | -167.4 | 72.5 | 0 | 0 | 0 | 109.5 | ||||
| 615 | S | 85 | Confident | 85.1 | Confident | 40 Ų | 40 | 73 Ų | 73 | 28% | 0.28 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -151.7 | 162.3 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 108.9 | F620 | S615-F620 WeakPolarHBondContact O-CE1 3.32Š|
| 616 | D | 83.9 | Confident | 86.3 | Confident | 86 Ų | 86 | 69.9 Ų | 69.9 | 46% | 0.46 | 35% | 0.354 | S | S | . | . | trans | -56.3 | 131.2 | 166.6 | -165.9 | -53.7 | 0 | 0 | 0 | 109.5 | D618 Y619 | D616-D618 PolarHBondContact O-N 3.49Å; D616-D618 PolarHBondContact OD1-N 2.83Å; D616-Y619 HydrophobicContact CB-CD2 3.63Å; D616-Y619 HydrophobicContact CB-CE2 3.87Å; D616-Y619 PolarHBondContact O-N 3Å | ||
| 617 | P | 85.5 | Confident | 87 | Confident | 83 Ų | 83 | 64 Ų | 64 | 54% | 0.539 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -54.3 | -30.5 | 179.7 | -27.3 | 35 | 0 | 0 | 0 | 114.9 | Y619 F620 | P617-Y619 PolarHBondContact O-N 2.01Å; P617-F620 HydrophobicContact CB-CD2 4.06Å; P617-F620 HydrophobicContact CB-CE2 3.84Å; P617-F620 HydrophobicContact CB-CZ 4.45Å; P617-F620 HydrophobicContact CG-CE2 4.1Å; P617-F620 HydrophobicContact CG-CZ 4.37Å; P617-F620 WeakPolarHBondContact O-CB 3.33Å; P617-F620 PolarHBondContact O-N 3.08Å; P617-F620 VanDerWaalsContact O-N 3.15Å |
| 618 | D | 85.9 | Confident | 87.4 | Confident | 136 Ų | 136 | 63.2 Ų | 63.2 | 73% | 0.727 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -63 | -24.2 | 179.2 | -74.5 | -13.3 | 0 | 0 | 0 | 112.3 | D616 | D616-D618 PolarHBondContact O-N 3.49Å; D616-D618 PolarHBondContact OD1-N 2.83Å |
| 619 | Y | 86 | Confident | 87.7 | Confident | 101 Ų | 101 | 59.7 Ų | 59.7 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -92.9 | -12.4 | 179.2 | -58.2 | -53.7 | 0 | 0 | 0 | 114 | D616 P617 P621 T622 I668 | D616-Y619 HydrophobicContact CB-CD2 3.63Å; D616-Y619 HydrophobicContact CB-CE2 3.87Å; D616-Y619 PolarHBondContact O-N 3Å; P617-Y619 PolarHBondContact O-N 2.01Å; Y619-P621 VanDerWaalsContact C-CD 3.43Å; Y619-P621 VanDerWaalsContact C-N 3.34Å; Y619-T622 WeakPolarHBondContact O-CB 3.41Å; Y619-T622 PolarHBondContact O-N 3.37Å; Y619-T622 PolarHBondContact O-OG1 3.36Å; Y619-I668 HydrophobicContact CD1-CD1 3.65Å; Y619-I668 HydrophobicContact CE1-CD1 4.23Å; Y619-I668 HydrophobicContact CG-CD1 4.39Å |
| 620 | F | 89.2 | Confident | 87.5 | Confident | 21 Ų | 21 | 62.1 Ų | 62.1 | 9% | 0.092 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -48.2 | -50 | -178.8 | -68.3 | -23.1 | 0 | 0 | 0 | 112.4 | S615 P617 T622 L623 I642 | S615-F620 WeakPolarHBondContact O-CE1 3.32Å; P617-F620 HydrophobicContact CB-CD2 4.06Å; P617-F620 HydrophobicContact CB-CE2 3.84Å; P617-F620 HydrophobicContact CB-CZ 4.45Å; P617-F620 HydrophobicContact CG-CE2 4.1Å; P617-F620 HydrophobicContact CG-CZ 4.37Å; P617-F620 WeakPolarHBondContact O-CB 3.33Å; P617-F620 PolarHBondContact O-N 3.08Å; P617-F620 VanDerWaalsContact O-N 3.15Å; F620-T622 PolarHBondContact O-N 2.74Å; F620-L623 HydrophobicContact CD1-CD1 4.28Å; F620-L623 WeakPolarHBondContact O-CB 3.38Å; F620-L623 PolarHBondContact O-N 3.36Å; F620-I642 CarbonylContact C-O 3.51Å; F620-I642 HydrophobicContact CB-CG2 3.97Å; F620-I642 WeakPolarHBondContact CB-O 3.4Å; F620-I642 HydrophobicContact CD1-CG2 4Å; F620-I642 HydrophobicContact CG-CG2 3.99Å |
| 621 | P | 88.2 | Confident | 86.9 | Confident | 61 Ų | 61 | 62 Ų | 62 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -60.8 | -13.4 | -176.7 | -23.1 | 34.6 | 0 | 0 | 0 | 114.8 | Y619 K641 | Y619-P621 VanDerWaalsContact C-CD 3.43Å; Y619-P621 VanDerWaalsContact C-N 3.34Å; P621-K641 WeakPolarHBondContact O-CE 3.46Å; P621-K641 PolarHBondContact O-NZ 2.83Å; P621-K641 VanDerWaalsContact O-NZ 3.14Å |
| 622 | T | 86.9 | Confident | 85.8 | Confident | 28 Ų | 28 | 65.8 Ų | 65.8 | 17% | 0.172 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -93.6 | -16.8 | 177.4 | 77.3 | 0 | 0 | 0 | 0 | 113.4 | Y619 F620 S666 S667 I668 | Y619-T622 WeakPolarHBondContact O-CB 3.41Å; Y619-T622 PolarHBondContact O-N 3.37Å; Y619-T622 PolarHBondContact O-OG1 3.36Å; F620-T622 PolarHBondContact O-N 2.74Å; T622-S666 CarbonylContact O-C 3.49Å; T622-S666 VanDerWaalsContact O-CA 3.22Å; T622-S666 WeakPolarHBondContact O-CA 3.49Å; T622-S666 PolarHBondContact O-OG 2.88Å; T622-S666 PolarHBondContact OG1-OG 3.32Å; T622-S667 PolarHBondContact O-N 2.96Å; T622-S667 PolarHBondContact O-OG 2.77Å; T622-I668 HydrophobicContact CG2-CD1 3.9Å; T622-I668 HydrophobicContact CG2-CG1 3.74Å; T622-I668 WeakPolarHBondContact OG1-CD1 3.42Å |
| 623 | L | 89.7 | Confident | 84.6 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 139.6 | -173.5 | -62.7 | 179.2 | 0 | 0 | 0 | 112.5 | V613 F620 I642 L664 S665 F678 | V613-L623 HydrophobicContact CG1-CD1 4.03Å; F620-L623 HydrophobicContact CD1-CD1 4.28Å; F620-L623 WeakPolarHBondContact O-CB 3.38Å; F620-L623 PolarHBondContact O-N 3.36Å; L623-I642 HydrophobicContact CB-CB 4.23Å; L623-I642 HydrophobicContact CB-CD1 3.73Å; L623-I642 HydrophobicContact CB-CG1 4.16Å; L623-I642 HydrophobicContact CD1-CD1 4.23Å; L623-I642 PolarHBondContact O-N 2.87Å; L623-I642 VanDerWaalsContact O-N 3.15Å; L623-L664 HydrophobicContact CB-CD1 4.15Å; L623-L664 HydrophobicContact CD2-CD1 4.38Å; L623-L664 HydrophobicContact CD2-CD2 4.36Å; L623-L664 HydrophobicContact CD2-CG 4.4Å; L623-S665 CarbonylContact C-O 3.58Å; L623-S665 WeakPolarHBondContact CA-O 3.22Å; L623-F678 HydrophobicContact CD2-CE1 4.45Å |
| 624 | M | 90.1 | Very high | 83.5 | Confident | 53 Ų | 53 | 67.2 Ų | 67.2 | 26% | 0.261 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131.8 | 179.2 | -68.4 | -66.2 | -51.8 | 0 | 0 | 109.7 | R639 K641 L664 S665 | M624-R639 HydrophobicContact CE-CB 4.01Å; M624-K641 HydrophobicContact CE-CB 3.97Å; M624-K641 WeakPolarHBondContact SD-CA 3.41Å; M624-K641 HydrophobicContact SD-CB 3.33Å; M624-K641 WeakPolarHBondContact SD-CB 3.44Å; M624-K641 HydrophobicContact SD-CD 3.78Å; M624-K641 HydrophobicContact SD-CG 3.38Å; M624-K641 WeakPolarHBondContact SD-CG 3.06Å; M624-L664 CarbonylContact O-C 3.59Å; M624-S665 WeakPolarHBondContact CB-OG 3.5Å; M624-S665 PolarHBondContact N-O 2.86Å; M624-S665 PolarHBondContact O-N 2.86Å; M624-S665 PolarHBondContact O-OG 2.87Å |
| 625 | I | 91.3 | Very high | 82.4 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.015 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.6 | 178.8 | -48.2 | 176.3 | 0 | 0 | 0 | 108.8 | V613 R639 V640 I642 F648 F650 V662 R663 L664 | V613-I625 HydrophobicContact CG2-CD1 3.39Å; V613-I625 HydrophobicContact CG2-CG1 4.15Å; I625-R639 CarbonylContact O-C 3.58Å; I625-R639 VanDerWaalsContact O-CA 3.28Å; I625-R639 WeakPolarHBondContact O-CA 3.31Å; I625-V640 PolarHBondContact N-O 2.81Å; I625-V640 PolarHBondContact O-N 3.42Å; I625-I642 HydrophobicContact CD1-CD1 3.56Å; I625-I642 HydrophobicContact CD1-CG1 3.82Å; I625-I642 HydrophobicContact CG1-CD1 3.66Å; I625-I642 HydrophobicContact CG1-CG1 3.87Å; I625-F648 HydrophobicContact CD1-CB 3.67Å; I625-F648 HydrophobicContact CD1-CD1 2.97Å; I625-F648 HydrophobicContact CD1-CD2 3.88Å; I625-F648 HydrophobicContact CD1-CE1 3.36Å; I625-F648 HydrophobicContact CD1-CE2 4.23Å; I625-F648 HydrophobicContact CD1-CG 3.23Å; I625-F648 HydrophobicContact CD1-CZ 3.97Å; I625-F648 HydrophobicContact CG1-CD1 4.44Å; I625-F648 HydrophobicContact CG2-CD2 4.29Å; I625-F648 HydrophobicContact CG2-CE2 4.07Å; I625-F648 HydrophobicContact CG2-CZ 4.17Å; I625-F650 HydrophobicContact CB-CZ 4.22Å; I625-F650 HydrophobicContact CG2-CE2 4.05Å; I625-F650 HydrophobicContact CG2-CZ 3.76Å; I625-V662 HydrophobicContact CG2-CG1 3.42Å; I625-V662 VanDerWaalsContact CG2-CG1 3.42Å; I625-R663 CarbonylContact C-O 3.55Å; I625-R663 WeakPolarHBondContact CA-O 3.34Å; I625-L664 HydrophobicContact CG1-CD1 3.79Å |
| 626 | H | 90.4 | Very high | 81.9 | Confident | 43 Ų | 43 | 67.1 Ų | 67.1 | 20% | 0.199 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.2 | -177.1 | 178.7 | -128.2 | 0 | 0 | 0 | 109.6 | S637 E638 R639 V662 R663 | H626-S637 PolarHBondContact NE2-OG 3.29Å; H626-E638 CarbonylContact C-O 3.48Å; H626-E638 WeakPolarHBondContact CA-O 3.32Å; H626-E638 PolarHBondContact CD2-O 2.99Å; H626-E638 VanDerWaalsContact CD2-O 3.28Å; H626-R639 HydrophobicContact CB-CG 4.14Å; H626-R639 VanDerWaalsContact CD2-CG 3.49Å; H626-R639 WeakPolarHBondContact CD2-CG 3.46Å; H626-V662 CarbonylContact O-C 3.59Å; H626-V662 VanDerWaalsContact O-CA 3.28Å; H626-V662 WeakPolarHBondContact O-CA 3.16Å; H626-R663 PolarHBondContact N-O 2.93Å; H626-R663 PolarHBondContact O-N 3.48Å |
| 627 | I | 90.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.6 | 168.8 | -170.4 | 166.5 | 0 | 0 | 0 | 109.2 | V609 Y636 S637 E638 F650 Y660 A661 V662 | V609-I627 HydrophobicContact CB-CD1 4.45Å; V609-I627 HydrophobicContact CG1-CD1 4.26Å; V609-I627 HydrophobicContact CG2-CD1 4.4Å; I627-Y636 HydrophobicContact CG2-CE1 3.87Å; I627-S637 CarbonylContact O-C 3.55Å; I627-S637 VanDerWaalsContact O-CA 3.24Å; I627-S637 WeakPolarHBondContact O-CA 3.42Å; I627-E638 HydrophobicContact CG2-CB 3.79Å; I627-E638 PolarHBondContact N-O 2.77Å; I627-E638 PolarHBondContact O-N 3.23Å; I627-F650 HydrophobicContact CB-CD1 4.05Å; I627-F650 HydrophobicContact CB-CD2 3.95Å; I627-F650 HydrophobicContact CB-CE1 3.78Å; I627-F650 HydrophobicContact CB-CE2 3.67Å; I627-F650 HydrophobicContact CB-CG 4.13Å; I627-F650 HydrophobicContact CB-CZ 3.58Å; I627-F650 HydrophobicContact CD1-CD2 3.99Å; I627-F650 HydrophobicContact CD1-CE2 4.4Å; I627-F650 HydrophobicContact CD1-CG 4.3Å; I627-F650 HydrophobicContact CG2-CB 4.44Å; I627-F650 HydrophobicContact CG2-CD1 3.33Å; I627-F650 HydrophobicContact CG2-CD2 4.05Å; I627-F650 HydrophobicContact CG2-CE1 3.38Å; I627-F650 HydrophobicContact CG2-CE2 4.08Å; I627-F650 HydrophobicContact CG2-CG 3.68Å; I627-F650 HydrophobicContact CG2-CZ 3.77Å; I627-Y660 HydrophobicContact CD1-CD1 4Å; I627-Y660 HydrophobicContact CD1-CG 4.13Å; I627-Y660 HydrophobicContact CG1-CD1 3.94Å; I627-Y660 HydrophobicContact CG1-CG 4.29Å; I627-A661 CarbonylContact C-O 3.6Å; I627-A661 WeakPolarHBondContact CA-O 3.47Å; I627-V662 HydrophobicContact CB-CG2 4.17Å; I627-V662 HydrophobicContact CD1-CG2 3.93Å; I627-V662 HydrophobicContact CG1-CG2 3.82Å |
| 628 | Q | 88.1 | Confident | 81.9 | Confident | 66 Ų | 66 | 65.6 Ų | 65.6 | 31% | 0.308 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 132.7 | 176.8 | -175.1 | 174.2 | 9.3 | 0 | 0 | 110.9 | L630 Y636 Y660 A661 | Q628-L630 PolarHBondContact O-N 2.91Å; Q628-Y636 WeakPolarHBondContact CA-O 3.44Å; Q628-Y660 CarbonylContact O-C 3.6Å; Q628-Y660 VanDerWaalsContact O-CA 3.27Å; Q628-Y660 WeakPolarHBondContact O-CA 3.33Å; Q628-A661 PolarHBondContact N-O 3.28Å; Q628-A661 PolarHBondContact O-N 3.38Å |
| 629 | R | 87.7 | Confident | 82 | Confident | 33 Ų | 33 | 67.9 Ų | 67.9 | 13% | 0.125 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 124.2 | 171.6 | -166 | 175.9 | -179.4 | 174.1 | 0.9 | 109.7 | H632 Y636 D656 S658 Y660 | R629-H632 HydrophobicContact CG-CB 4.28Å; R629-H632 PolarHBondContact NH2-CD2 3.09Å; R629-H632 VanDerWaalsContact NH2-CD2 3.26Å; R629-H632 PolarHBondContact NH2-NE2 2.95Å; R629-Y636 PolarHBondContact N-O 2.76Å; R629-D656 IonicContact CZ-OD2 3.32Å; R629-D656 IonicContact NH1-OD2 3.71Å; R629-D656 IonicContact NH2-OD1 3.2Å; R629-D656 IonicContact NH2-OD2 3.51Å; R629-D656 PolarHBondContact NH2-OD2 2.84Å; R629-S658 PolarHBondContact NE-OG 3.37Å; R629-S658 PolarHBondContact NH2-OG 3.5Å; R629-Y660 HydrophobicContact CB-CD1 3.82Å; R629-Y660 HydrophobicContact CB-CE1 3.56Å; R629-Y660 HydrophobicContact CG-CD1 4.23Å; R629-Y660 HydrophobicContact CG-CE1 3.77Å |
| 630 | L | 81.6 | Confident | 82.2 | Confident | 66 Ų | 66 | 64.9 Ų | 64.9 | 35% | 0.346 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 142.3 | 178.6 | -65.8 | 179.9 | 0 | 0 | 0 | 111.2 | Q628 H632 V659 A661 | Q628-L630 PolarHBondContact O-N 2.91Å; L630-H632 VanDerWaalsContact C-N 3.29Å; L630-H632 PolarHBondContact O-N 2.99Å; L630-H632 PolarHBondContact O-ND1 2.82Å; L630-V659 HydrophobicContact CB-CB 4.47Å; L630-V659 HydrophobicContact CD1-CG1 4.29Å; L630-V659 PolarHBondContact N-O 3.02Å; L630-A661 HydrophobicContact CD1-CB 3.89Å; L630-A661 HydrophobicContact CD2-CB 4.22Å; L630-A661 HydrophobicContact CG-CB 4.01Å |
| 631 | G | 75.3 | Confident | 82.1 | Confident | 89 Ų | 89 | 68.5 Ų | 68.5 | 92% | 0.918 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 75.8 | -0.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 632 | H | 65.4 | Low | 81.9 | Confident | 93 Ų | 93 | 65.7 Ų | 65.7 | 43% | 0.431 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -104.2 | 149.6 | 175.9 | -72.3 | 70.1 | 0 | 0 | 0 | 111.2 | R629 L630 D634 | R629-H632 HydrophobicContact CG-CB 4.28Å; R629-H632 PolarHBondContact NH2-CD2 3.09Å; R629-H632 VanDerWaalsContact NH2-CD2 3.26Å; R629-H632 PolarHBondContact NH2-NE2 2.95Å; L630-H632 VanDerWaalsContact C-N 3.29Å; L630-H632 PolarHBondContact O-N 2.99Å; L630-H632 PolarHBondContact O-ND1 2.82Å; H632-D634 PolarHBondContact O-N 2.81Å |
| 633 | S | 64.4 | Low | 81.3 | Confident | 104 Ų | 104 | 68.2 Ų | 68.2 | 73% | 0.727 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -62.1 | -26.1 | 176.3 | 53.5 | 0 | 0 | 0 | 0 | 113 | F635 | S633-F635 PolarHBondContact O-N 2.68Š|
| 634 | D | 63.6 | Low | 80.7 | Confident | 102 Ų | 102 | 75.1 Ų | 75.1 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -83 | 109.8 | -178.6 | -63.1 | -7.1 | 0 | 0 | 0 | 108.5 | H632 Y636 | H632-D634 PolarHBondContact O-N 2.81Å; D634-Y636 PolarHBondContact O-N 2.93Å |
| 635 | F | 61.9 | Low | 80.3 | Confident | 176 Ų | 176 | 75.8 Ų | 75.8 | 77% | 0.772 | 40% | 0.402 | S | S | * | . | trans | -70 | 65.5 | 173 | -69.9 | -86.9 | 0 | 0 | 0 | 110.4 | S633 S637 | S633-F635 PolarHBondContact O-N 2.68Å; F635-S637 PolarHBondContact O-N 3.26Å; F635-S637 VanDerWaalsContact O-N 3.12Å | ||
| 636 | Y | 75.5 | Confident | 80.1 | Confident | 57 Ų | 57 | 78 Ų | 78 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | trans | -67 | 114 | 164.5 | 179.9 | -93.2 | 0 | 0 | 0 | 107.6 | I627 Q628 R629 D634 E638 V653 Y660 | I627-Y636 HydrophobicContact CG2-CE1 3.87Å; Q628-Y636 WeakPolarHBondContact CA-O 3.44Å; R629-Y636 PolarHBondContact N-O 2.76Å; D634-Y636 PolarHBondContact O-N 2.93Å; Y636-E638 HydrophobicContact CE1-CG 4.31Å; Y636-E638 HydrophobicContact CE2-CG 3.92Å; Y636-E638 WeakPolarHBondContact OH-CG 3.4Å; Y636-V653 HydrophobicContact CE1-CG1 3.78Å; Y636-Y660 HydrophobicContact CD1-CD1 4.18Å; Y636-Y660 AromaticContact CD1-CE1 3.64Å; Y636-Y660 HydrophobicContact CD1-CE1 3.64Å; Y636-Y660 HydrophobicContact CE1-CE1 4.09Å; Y636-Y660 HydrophobicContact CG-CE1 4.45Å | ||
| 637 | S | 81.7 | Confident | 80 | Confident | 50 Ų | 50 | 79.2 Ų | 79.2 | 35% | 0.35 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 110.8 | -174.8 | 150.9 | 0 | 0 | 0 | 0 | 108.7 | H626 I627 F635 | H626-S637 PolarHBondContact NE2-OG 3.29Å; I627-S637 CarbonylContact O-C 3.55Å; I627-S637 VanDerWaalsContact O-CA 3.24Å; I627-S637 WeakPolarHBondContact O-CA 3.42Å; F635-S637 PolarHBondContact O-N 3.26Å; F635-S637 VanDerWaalsContact O-N 3.12Å |
| 638 | E | 86.5 | Confident | 79.9 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 41% | 0.407 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.3 | -179.9 | -79 | -62.5 | 166.7 | 0 | 0 | 111.9 | H626 I627 Y636 F650 | H626-E638 CarbonylContact C-O 3.48Å; H626-E638 WeakPolarHBondContact CA-O 3.32Å; H626-E638 PolarHBondContact CD2-O 2.99Å; H626-E638 VanDerWaalsContact CD2-O 3.28Å; I627-E638 HydrophobicContact CG2-CB 3.79Å; I627-E638 PolarHBondContact N-O 2.77Å; I627-E638 PolarHBondContact O-N 3.23Å; Y636-E638 HydrophobicContact CE1-CG 4.31Å; Y636-E638 HydrophobicContact CE2-CG 3.92Å; Y636-E638 WeakPolarHBondContact OH-CG 3.4Å; E638-F650 HydrophobicContact CB-CD1 4.17Å; E638-F650 HydrophobicContact CB-CE1 4.4Å |
| 639 | R | 88.2 | Confident | 79.9 | Confident | 183 Ų | 183 | 81.4 Ų | 81.4 | 69% | 0.691 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.8 | -177.1 | -70.1 | -179.4 | -78.7 | -173.6 | -5 | 111.3 | M624 I625 H626 | M624-R639 HydrophobicContact CE-CB 4.01Å; I625-R639 CarbonylContact O-C 3.58Å; I625-R639 VanDerWaalsContact O-CA 3.28Å; I625-R639 WeakPolarHBondContact O-CA 3.31Å; H626-R639 HydrophobicContact CB-CG 4.14Å; H626-R639 VanDerWaalsContact CD2-CG 3.49Å; H626-R639 WeakPolarHBondContact CD2-CG 3.46Å |
| 640 | V | 89.9 | Confident | 79.9 | Confident | 38 Ų | 38 | 80 Ų | 80 | 23% | 0.23 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.4 | 177.2 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | I625 F648 F650 | I625-V640 PolarHBondContact N-O 2.81Å; I625-V640 PolarHBondContact O-N 3.42Å; V640-F648 HydrophobicContact CG1-CB 4.16Å; V640-F650 HydrophobicContact CB-CE1 4.24Å; V640-F650 HydrophobicContact CG2-CD1 3.68Å; V640-F650 HydrophobicContact CG2-CE1 3.61Å; V640-F650 HydrophobicContact CG2-CZ 4.45Å |
| 641 | K | 87.4 | Confident | 80.1 | Confident | 97 Ų | 97 | 80.2 Ų | 80.2 | 42% | 0.422 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 138.4 | 174.8 | -168.1 | 163.4 | -173.6 | -107.1 | 0 | 110.4 | P621 M624 D643 | P621-K641 WeakPolarHBondContact O-CE 3.46Å; P621-K641 PolarHBondContact O-NZ 2.83Å; P621-K641 VanDerWaalsContact O-NZ 3.14Å; M624-K641 HydrophobicContact CE-CB 3.97Å; M624-K641 WeakPolarHBondContact SD-CA 3.41Å; M624-K641 HydrophobicContact SD-CB 3.33Å; M624-K641 WeakPolarHBondContact SD-CB 3.44Å; M624-K641 HydrophobicContact SD-CD 3.78Å; M624-K641 HydrophobicContact SD-CG 3.38Å; M624-K641 WeakPolarHBondContact SD-CG 3.06Å; K641-D643 WeakPolarHBondContact CD-OD1 3.34Å; K641-D643 WeakPolarHBondContact CE-OD1 3.42Å; K641-D643 WeakPolarHBondContact CG-OD1 3.02Å; K641-D643 IonicContact NZ-OD1 3.85Å; K641-D643 PolarHBondContact NZ-OD1 2.9Å; K641-D643 PolarHBondContact O-N 2.84Å |
| 642 | I | 83.8 | Confident | 80.4 | Confident | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.015 | 41% | 0.41 | C | S | . | . | trans | -93.7 | 87.5 | 177.7 | -49.5 | -176.8 | 0 | 0 | 0 | 107.6 | V613 F620 L623 I625 S645 L664 | V613-I642 HydrophobicContact CB-CD1 3.68Å; V613-I642 HydrophobicContact CG1-CD1 3.87Å; V613-I642 HydrophobicContact CG2-CD1 3.49Å; V613-I642 VanDerWaalsContact CG2-CD1 3.49Å; F620-I642 CarbonylContact C-O 3.51Å; F620-I642 HydrophobicContact CB-CG2 3.97Å; F620-I642 WeakPolarHBondContact CB-O 3.4Å; F620-I642 HydrophobicContact CD1-CG2 4Å; F620-I642 HydrophobicContact CG-CG2 3.99Å; L623-I642 HydrophobicContact CB-CB 4.23Å; L623-I642 HydrophobicContact CB-CD1 3.73Å; L623-I642 HydrophobicContact CB-CG1 4.16Å; L623-I642 HydrophobicContact CD1-CD1 4.23Å; L623-I642 PolarHBondContact O-N 2.87Å; L623-I642 VanDerWaalsContact O-N 3.15Å; I625-I642 HydrophobicContact CD1-CD1 3.56Å; I625-I642 HydrophobicContact CD1-CG1 3.82Å; I625-I642 HydrophobicContact CG1-CD1 3.66Å; I625-I642 HydrophobicContact CG1-CG1 3.87Å; I642-S645 WeakPolarHBondContact CG2-O 3.47Å; I642-L664 HydrophobicContact CD1-CD1 4Å | ||
| 643 | D | 74.9 | Confident | 81.3 | Confident | 80 Ų | 80 | 73.6 Ų | 73.6 | 43% | 0.428 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -80.2 | -63.5 | -175.3 | -77.9 | -32.4 | 0 | 0 | 0 | 112.6 | K641 | K641-D643 WeakPolarHBondContact CD-OD1 3.34Å; K641-D643 WeakPolarHBondContact CE-OD1 3.42Å; K641-D643 WeakPolarHBondContact CG-OD1 3.02Å; K641-D643 IonicContact NZ-OD1 3.85Å; K641-D643 PolarHBondContact NZ-OD1 2.9Å; K641-D643 PolarHBondContact O-N 2.84Å |
| 644 | N | 77.1 | Confident | 82 | Confident | 155 Ų | 155 | 70.6 Ų | 70.6 | 83% | 0.829 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -125.8 | 0.3 | -174 | -68.6 | -2.5 | 0 | 0 | 0 | 114.4 | ||
| 645 | S | 82.1 | Confident | 82.5 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 46% | 0.462 | 35% | 0.347 | S | S | . | . | trans | -133.4 | 139.4 | -174.8 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | I642 M647 | I642-S645 WeakPolarHBondContact CG2-O 3.47Å; S645-M647 PolarHBondContact O-N 3.13Å; S645-M647 PolarHBondContact OG-O 2.74Å | ||
| 646 | S | 85.9 | Confident | 83.1 | Confident | 49 Ų | 49 | 62.2 Ų | 62.2 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -65.6 | -20.6 | 173.6 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | Y612 V613 | Y612-S646 CarbonylContact C-O 3.47Å; Y612-S646 VanDerWaalsContact CA-O 3.26Å; Y612-S646 WeakPolarHBondContact CA-O 3.19Å; V613-S646 PolarHBondContact N-O 3.11Å; V613-S646 WeakPolarHBondContact O-CB 3.36Å |
| 647 | M | 89 | Confident | 83.2 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 35% | 0.345 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 142.5 | 179.1 | -174.6 | -168.3 | -92 | 0 | 0 | 111.8 | I610 G611 Y612 S645 I649 | I610-M647 HydrophobicContact CG2-CE 4.22Å; I610-M647 HydrophobicContact CG2-CG 4.06Å; I610-M647 HydrophobicContact CG2-SD 4.2Å; G611-M647 CarbonylContact O-C 3.5Å; G611-M647 WeakPolarHBondContact O-CA 3.24Å; Y612-M647 HydrophobicContact CD1-CB 3.76Å; Y612-M647 HydrophobicContact CD1-CG 4.22Å; Y612-M647 HydrophobicContact CE1-CB 3.73Å; Y612-M647 HydrophobicContact CE1-CE 3.55Å; Y612-M647 HydrophobicContact CE1-CG 3.94Å; Y612-M647 HydrophobicContact CE2-CE 4.29Å; Y612-M647 WeakPolarHBondContact OH-CE 3.46Å; S645-M647 PolarHBondContact O-N 3.13Å; S645-M647 PolarHBondContact OG-O 2.74Å; M647-I649 HydrophobicContact CG-CG1 4.49Å; M647-I649 HydrophobicContact SD-CD1 4.17Å; M647-I649 HydrophobicContact SD-CG1 4.25Å |
| 648 | F | 87.6 | Confident | 83.2 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 10% | 0.096 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.8 | 167.1 | 62.6 | -85.5 | 0 | 0 | 0 | 110.8 | I610 G611 V613 I625 V640 F650 V662 | I610-F648 WeakPolarHBondContact CA-O 3.38Å; G611-F648 VanDerWaalsContact CA-CE1 3.49Å; G611-F648 VanDerWaalsContact CA-CZ 3.49Å; G611-F648 PolarHBondContact N-O 2.95Å; G611-F648 WeakPolarHBondContact O-CD1 3.46Å; G611-F648 PolarHBondContact O-N 2.83Å; V613-F648 HydrophobicContact CG2-CD1 4.04Å; V613-F648 HydrophobicContact CG2-CE1 3.87Å; I625-F648 HydrophobicContact CD1-CB 3.67Å; I625-F648 HydrophobicContact CD1-CD1 2.97Å; I625-F648 HydrophobicContact CD1-CD2 3.88Å; I625-F648 HydrophobicContact CD1-CE1 3.36Å; I625-F648 HydrophobicContact CD1-CE2 4.23Å; I625-F648 HydrophobicContact CD1-CG 3.23Å; I625-F648 HydrophobicContact CD1-CZ 3.97Å; I625-F648 HydrophobicContact CG1-CD1 4.44Å; I625-F648 HydrophobicContact CG2-CD2 4.29Å; I625-F648 HydrophobicContact CG2-CE2 4.07Å; I625-F648 HydrophobicContact CG2-CZ 4.17Å; V640-F648 HydrophobicContact CG1-CB 4.16Å; F648-F650 AromaticContact CD2-CD2 3.91Å; F648-F650 HydrophobicContact CD2-CD2 3.91Å; F648-F650 AromaticContact CD2-CE2 3.59Å; F648-F650 HydrophobicContact CD2-CE2 3.59Å; F648-F650 HydrophobicContact CD2-CZ 4.31Å; F648-F650 AromaticContact CE2-CD2 3.95Å; F648-F650 HydrophobicContact CE2-CD2 3.95Å; F648-F650 AromaticContact CE2-CE2 3.5Å; F648-F650 HydrophobicContact CE2-CE2 3.5Å; F648-F650 VanDerWaalsContact CE2-CE2 3.5Å; F648-F650 HydrophobicContact CE2-CZ 4.46Å; F648-V662 HydrophobicContact CE2-CG1 4.04Å; F648-V662 HydrophobicContact CZ-CG1 4.07Å |
| 649 | I | 88.9 | Confident | 83.1 | Confident | 90 Ų | 90 | 57.1 Ų | 57.1 | 46% | 0.462 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 123.5 | 176.9 | -56.2 | 177.4 | 0 | 0 | 0 | 106.8 | I610 M647 | I610-I649 HydrophobicContact CB-CG1 4.49Å; I610-I649 HydrophobicContact CD1-CD1 4.42Å; I610-I649 HydrophobicContact CD1-CG1 4.39Å; I610-I649 HydrophobicContact CG1-CB 4.47Å; I610-I649 HydrophobicContact CG1-CG1 4.02Å; I610-I649 HydrophobicContact CG1-CG2 4.09Å; I610-I649 HydrophobicContact CG2-CG1 4.06Å; M647-I649 HydrophobicContact CG-CG1 4.49Å; M647-I649 HydrophobicContact SD-CD1 4.17Å; M647-I649 HydrophobicContact SD-CG1 4.25Å |
| 650 | F | 88.3 | Confident | 83.2 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 153.4 | 168.7 | -72.7 | -70 | 0 | 0 | 0 | 110.7 | V609 I625 I627 E638 V640 F648 V662 | V609-F650 HydrophobicContact CB-CB 4.31Å; V609-F650 HydrophobicContact CB-CD2 4.44Å; V609-F650 HydrophobicContact CG1-CD2 4.21Å; V609-F650 PolarHBondContact O-N 2.97Å; I625-F650 HydrophobicContact CB-CZ 4.22Å; I625-F650 HydrophobicContact CG2-CE2 4.05Å; I625-F650 HydrophobicContact CG2-CZ 3.76Å; I627-F650 HydrophobicContact CB-CD1 4.05Å; I627-F650 HydrophobicContact CB-CD2 3.95Å; I627-F650 HydrophobicContact CB-CE1 3.78Å; I627-F650 HydrophobicContact CB-CE2 3.67Å; I627-F650 HydrophobicContact CB-CG 4.13Å; I627-F650 HydrophobicContact CB-CZ 3.58Å; I627-F650 HydrophobicContact CD1-CD2 3.99Å; I627-F650 HydrophobicContact CD1-CE2 4.4Å; I627-F650 HydrophobicContact CD1-CG 4.3Å; I627-F650 HydrophobicContact CG2-CB 4.44Å; I627-F650 HydrophobicContact CG2-CD1 3.33Å; I627-F650 HydrophobicContact CG2-CD2 4.05Å; I627-F650 HydrophobicContact CG2-CE1 3.38Å; I627-F650 HydrophobicContact CG2-CE2 4.08Å; I627-F650 HydrophobicContact CG2-CG 3.68Å; I627-F650 HydrophobicContact CG2-CZ 3.77Å; E638-F650 HydrophobicContact CB-CD1 4.17Å; E638-F650 HydrophobicContact CB-CE1 4.4Å; V640-F650 HydrophobicContact CB-CE1 4.24Å; V640-F650 HydrophobicContact CG2-CD1 3.68Å; V640-F650 HydrophobicContact CG2-CE1 3.61Å; V640-F650 HydrophobicContact CG2-CZ 4.45Å; F648-F650 AromaticContact CD2-CD2 3.91Å; F648-F650 HydrophobicContact CD2-CD2 3.91Å; F648-F650 AromaticContact CD2-CE2 3.59Å; F648-F650 HydrophobicContact CD2-CE2 3.59Å; F648-F650 HydrophobicContact CD2-CZ 4.31Å; F648-F650 AromaticContact CE2-CD2 3.95Å; F648-F650 HydrophobicContact CE2-CD2 3.95Å; F648-F650 AromaticContact CE2-CE2 3.5Å; F648-F650 HydrophobicContact CE2-CE2 3.5Å; F648-F650 VanDerWaalsContact CE2-CE2 3.5Å; F648-F650 HydrophobicContact CE2-CZ 4.46Å; F650-V662 HydrophobicContact CE2-CG1 3.92Å; F650-V662 HydrophobicContact CE2-CG2 4.28Å; F650-V662 HydrophobicContact CZ-CG1 4.46Å |
| 651 | P | 84.2 | Confident | 83.1 | Confident | 72 Ų | 72 | 46.9 Ų | 46.9 | 47% | 0.468 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 148.3 | 168.9 | -22.2 | 32.6 | 0 | 0 | 0 | 111.6 | V653 | P651-V653 PolarHBondContact O-N 2.8Å; P651-V653 VanDerWaalsContact O-N 3.15Å |
| 652 | A | 82 | Confident | 83.2 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 120.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K606 M607 D608 | K606-A652 HydrophobicContact CB-CB 3.89Å; M607-A652 CarbonylContact O-C 3.41Å; M607-A652 VanDerWaalsContact O-CA 3.29Å; M607-A652 WeakPolarHBondContact O-CA 3.42Å; D608-A652 WeakPolarHBondContact OD1-CB 3.46Å |
| 653 | V | 83.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 150.8 | 177.7 | -61.9 | 0 | 0 | 0 | 0 | 110.4 | K606 M607 V609 Y636 P651 A655 Y660 V685 | K606-V653 CarbonylContact C-O 3.5Å; K606-V653 WeakPolarHBondContact CA-O 3.26Å; M607-V653 PolarHBondContact N-O 3.05Å; M607-V653 PolarHBondContact O-N 3.36Å; V609-V653 HydrophobicContact CG2-CG2 3.62Å; Y636-V653 HydrophobicContact CE1-CG1 3.78Å; P651-V653 PolarHBondContact O-N 2.8Å; P651-V653 VanDerWaalsContact O-N 3.15Å; V653-A655 PolarHBondContact O-N 2.76Å; V653-Y660 HydrophobicContact CB-CE1 4.31Å; V653-Y660 HydrophobicContact CB-CE2 4.21Å; V653-Y660 HydrophobicContact CG1-CE1 4.1Å; V653-Y660 HydrophobicContact CG2-CE2 4.12Å; V653-V685 HydrophobicContact CG2-CB 4.4Å; V653-V685 HydrophobicContact CG2-CG1 4.22Å; V653-V685 HydrophobicContact CG2-CG2 3.83Å |
| 654 | P | 79.6 | Confident | 84.1 | Confident | 42 Ų | 42 | 46.3 Ų | 46.3 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 134.7 | 175.2 | -26.3 | 34.3 | 0 | 0 | 0 | 112.8 | D605 D656 | D605-P654 WeakPolarHBondContact O-CA 3.08Å; P654-D656 HydrophobicContact CB-CB 4.27Å; P654-D656 PolarHBondContact O-N 3.43Å |
| 655 | A | 73.9 | Confident | 84.6 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 12% | 0.116 | 25% | 0.246 | C | C | . | . | trans | -88.7 | 46 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D605 M607 V653 V685 F687 | D605-A655 PolarHBondContact O-N 3.07Å; M607-A655 HydrophobicContact CG-CB 4.13Å; V653-A655 PolarHBondContact O-N 2.76Å; A655-V685 CarbonylContact C-O 3.54Å; A655-V685 HydrophobicContact CB-CG1 4.13Å; A655-F687 HydrophobicContact CB-CB 4.12Å | ||
| 656 | D | 75.5 | Confident | 84.8 | Confident | 88 Ų | 88 | 39.7 Ų | 39.7 | 47% | 0.471 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 8.8 | -170.8 | 66.5 | -1.3 | 0 | 0 | 0 | 114.1 | R629 P654 S658 | R629-D656 IonicContact CZ-OD2 3.32Å; R629-D656 IonicContact NH1-OD2 3.71Å; R629-D656 IonicContact NH2-OD1 3.2Å; R629-D656 IonicContact NH2-OD2 3.51Å; R629-D656 PolarHBondContact NH2-OD2 2.84Å; P654-D656 HydrophobicContact CB-CB 4.27Å; P654-D656 PolarHBondContact O-N 3.43Å; D656-S658 VanDerWaalsContact CG-OG 3.31Å; D656-S658 WeakPolarHBondContact OD1-CB 3.3Å; D656-S658 PolarHBondContact OD1-N 2.83Å; D656-S658 PolarHBondContact OD1-OG 3.27Å; D656-S658 PolarHBondContact OD2-OG 2.73Å |
| 657 | G | 76.3 | Confident | 84.7 | Confident | 33 Ų | 33 | 42 Ų | 42 | 34% | 0.34 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 87 | 8.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | V684 V685 | G657-V684 WeakPolarHBondContact O-CG1 3.27Å; G657-V685 VanDerWaalsContact CA-O 3.23Å; G657-V685 WeakPolarHBondContact CA-O 3.31Å; G657-V685 PolarHBondContact N-O 2.76Å |
| 658 | S | 82.6 | Confident | 84.4 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 145.8 | 178.1 | -69 | 0 | 0 | 0 | 0 | 113.9 | R629 D656 Y660 V684 V685 | R629-S658 PolarHBondContact NE-OG 3.37Å; R629-S658 PolarHBondContact NH2-OG 3.5Å; D656-S658 VanDerWaalsContact CG-OG 3.31Å; D656-S658 WeakPolarHBondContact OD1-CB 3.3Å; D656-S658 PolarHBondContact OD1-N 2.83Å; D656-S658 PolarHBondContact OD1-OG 3.27Å; D656-S658 PolarHBondContact OD2-OG 2.73Å; S658-Y660 VanDerWaalsContact CB-CE2 3.5Å; S658-V684 WeakPolarHBondContact O-CA 3.34Å; S658-V685 PolarHBondContact O-N 3.49Å; S658-V685 VanDerWaalsContact O-N 3.09Å |
| 659 | V | 84.6 | Confident | 83.7 | Confident | 50 Ų | 50 | 48 Ų | 48 | 30% | 0.303 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127.9 | 176 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | L630 I682 L683 V684 | L630-V659 HydrophobicContact CB-CB 4.47Å; L630-V659 HydrophobicContact CD1-CG1 4.29Å; L630-V659 PolarHBondContact N-O 3.02Å; V659-I682 HydrophobicContact CG1-CG2 3.34Å; V659-L683 CarbonylContact C-O 3.55Å; V659-L683 WeakPolarHBondContact CA-O 3.09Å; V659-V684 HydrophobicContact CG1-CG2 4.46Å; V659-V684 HydrophobicContact CG2-CG2 4.09Å |
| 660 | Y | 89 | Confident | 82.8 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136.5 | 176.6 | -65 | -94.6 | 0 | 0 | 0 | 110 | I627 Q628 R629 Y636 V653 S658 I682 L683 V685 | I627-Y660 HydrophobicContact CD1-CD1 4Å; I627-Y660 HydrophobicContact CD1-CG 4.13Å; I627-Y660 HydrophobicContact CG1-CD1 3.94Å; I627-Y660 HydrophobicContact CG1-CG 4.29Å; Q628-Y660 CarbonylContact O-C 3.6Å; Q628-Y660 VanDerWaalsContact O-CA 3.27Å; Q628-Y660 WeakPolarHBondContact O-CA 3.33Å; R629-Y660 HydrophobicContact CB-CD1 3.82Å; R629-Y660 HydrophobicContact CB-CE1 3.56Å; R629-Y660 HydrophobicContact CG-CD1 4.23Å; R629-Y660 HydrophobicContact CG-CE1 3.77Å; Y636-Y660 HydrophobicContact CD1-CD1 4.18Å; Y636-Y660 AromaticContact CD1-CE1 3.64Å; Y636-Y660 HydrophobicContact CD1-CE1 3.64Å; Y636-Y660 HydrophobicContact CE1-CE1 4.09Å; Y636-Y660 HydrophobicContact CG-CE1 4.45Å; V653-Y660 HydrophobicContact CB-CE1 4.31Å; V653-Y660 HydrophobicContact CB-CE2 4.21Å; V653-Y660 HydrophobicContact CG1-CE1 4.1Å; V653-Y660 HydrophobicContact CG2-CE2 4.12Å; S658-Y660 VanDerWaalsContact CB-CE2 3.5Å; Y660-I682 CarbonylContact O-C 3.6Å; Y660-I682 WeakPolarHBondContact O-CA 3.33Å; Y660-L683 HydrophobicContact CD2-CD1 4.44Å; Y660-L683 PolarHBondContact N-O 2.61Å; Y660-L683 PolarHBondContact O-N 2.85Å; Y660-V685 HydrophobicContact CD2-CG2 3.92Å; Y660-V685 HydrophobicContact CE2-CG2 4.1Å |
| 661 | A | 87.7 | Confident | 81.7 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 5% | 0.05 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | I627 Q628 L630 E680 | I627-A661 CarbonylContact C-O 3.6Å; I627-A661 WeakPolarHBondContact CA-O 3.47Å; Q628-A661 PolarHBondContact N-O 3.28Å; Q628-A661 PolarHBondContact O-N 3.38Å; L630-A661 HydrophobicContact CD1-CB 3.89Å; L630-A661 HydrophobicContact CD2-CB 4.22Å; L630-A661 HydrophobicContact CG-CB 4.01Å; A661-E680 HydrophobicContact CB-CG 4.41Å |
| 662 | V | 89.5 | Confident | 80.8 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 117.3 | 175.2 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | I625 H626 I627 F648 F650 E680 V681 L683 | I625-V662 HydrophobicContact CG2-CG1 3.42Å; I625-V662 VanDerWaalsContact CG2-CG1 3.42Å; H626-V662 CarbonylContact O-C 3.59Å; H626-V662 VanDerWaalsContact O-CA 3.28Å; H626-V662 WeakPolarHBondContact O-CA 3.16Å; I627-V662 HydrophobicContact CB-CG2 4.17Å; I627-V662 HydrophobicContact CD1-CG2 3.93Å; I627-V662 HydrophobicContact CG1-CG2 3.82Å; F648-V662 HydrophobicContact CE2-CG1 4.04Å; F648-V662 HydrophobicContact CZ-CG1 4.07Å; F650-V662 HydrophobicContact CE2-CG1 3.92Å; F650-V662 HydrophobicContact CE2-CG2 4.28Å; F650-V662 HydrophobicContact CZ-CG1 4.46Å; V662-E680 CarbonylContact O-C 3.55Å; V662-E680 WeakPolarHBondContact O-CA 3.35Å; V662-V681 PolarHBondContact N-O 2.92Å; V662-V681 PolarHBondContact O-N 2.82Å; V662-L683 HydrophobicContact CG2-CD2 3.74Å; V662-L683 HydrophobicContact CG2-CG 4.47Å |
| 663 | R | 88.8 | Confident | 80.1 | Confident | 135 Ų | 135 | 56.6 Ų | 56.6 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.9 | -173.3 | -173 | 172.1 | -178.5 | 158.3 | -1.1 | 112.4 | I625 H626 E680 | I625-R663 CarbonylContact C-O 3.55Å; I625-R663 WeakPolarHBondContact CA-O 3.34Å; H626-R663 PolarHBondContact N-O 2.93Å; H626-R663 PolarHBondContact O-N 3.48Å; R663-E680 HydrophobicContact CB-CG 4.22Å; R663-E680 HydrophobicContact CG-CB 4.44Å; R663-E680 IonicContact NH1-OE2 3.72Å |
| 664 | L | 89.2 | Confident | 79.2 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 11% | 0.11 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 146 | 173.3 | -170.8 | 67.1 | 0 | 0 | 0 | 111.3 | V613 L623 M624 I625 I642 F678 P679 | V613-L664 HydrophobicContact CG1-CD1 4.21Å; V613-L664 HydrophobicContact CG1-CD2 4Å; V613-L664 HydrophobicContact CG2-CD1 4.22Å; L623-L664 HydrophobicContact CB-CD1 4.15Å; L623-L664 HydrophobicContact CD2-CD1 4.38Å; L623-L664 HydrophobicContact CD2-CD2 4.36Å; L623-L664 HydrophobicContact CD2-CG 4.4Å; M624-L664 CarbonylContact O-C 3.59Å; I625-L664 HydrophobicContact CG1-CD1 3.79Å; I642-L664 HydrophobicContact CD1-CD1 4Å; L664-F678 HydrophobicContact CB-CB 4.28Å; L664-F678 HydrophobicContact CB-CD1 4.31Å; L664-F678 HydrophobicContact CD2-CD1 4.16Å; L664-F678 HydrophobicContact CG-CD1 4.02Å; L664-F678 WeakPolarHBondContact O-CB 3.29Å; L664-F678 VanDerWaalsContact O-CG 3.3Å; L664-F678 WeakPolarHBondContact O-CG 3.4Å; L664-P679 HydrophobicContact CB-CG 4.13Å; L664-P679 HydrophobicContact CD2-CG 4.12Å; L664-P679 PolarHBondContact N-O 3.37Å; L664-P679 VanDerWaalsContact N-O 3.14Å |
| 665 | S | 87.1 | Confident | 78.5 | Confident | 51 Ų | 51 | 69.2 Ų | 69.2 | 36% | 0.357 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 156.7 | 173.6 | 58.2 | 0 | 0 | 0 | 0 | 110.5 | L623 M624 | L623-S665 CarbonylContact C-O 3.58Å; L623-S665 WeakPolarHBondContact CA-O 3.22Å; M624-S665 WeakPolarHBondContact CB-OG 3.5Å; M624-S665 PolarHBondContact N-O 2.86Å; M624-S665 PolarHBondContact O-N 2.86Å; M624-S665 PolarHBondContact O-OG 2.87Å |
| 666 | S | 86.5 | Confident | 78.3 | Confident | 31 Ų | 31 | 72.8 Ų | 72.8 | 22% | 0.217 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151.5 | 176 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | T622 I668 F678 | T622-S666 CarbonylContact O-C 3.49Å; T622-S666 VanDerWaalsContact O-CA 3.22Å; T622-S666 WeakPolarHBondContact O-CA 3.49Å; T622-S666 PolarHBondContact O-OG 2.88Å; T622-S666 PolarHBondContact OG1-OG 3.32Å; S666-I668 VanDerWaalsContact C-N 3.35Å; S666-I668 WeakPolarHBondContact OG-CG1 3.41Å; S666-I668 PolarHBondContact OG-N 3.45Å; S666-F678 VanDerWaalsContact CB-CZ 3.45Å; S666-F678 VanDerWaalsContact N-CZ 3.34Å |
| 667 | S | 84.5 | Confident | 78.1 | Confident | 96 Ų | 96 | 74.6 Ų | 74.6 | 67% | 0.671 | 43% | 0.431 | S | S | * | . | trans | -83.2 | -4.2 | 170.8 | 60.1 | 0 | 0 | 0 | 0 | 114.5 | T622 | T622-S667 PolarHBondContact O-N 2.96Å; T622-S667 PolarHBondContact O-OG 2.77Å | ||
| 668 | I | 81.7 | Confident | 78.3 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 24% | 0.236 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -68 | 136.7 | -179.2 | -65.4 | 172.6 | 0 | 0 | 0 | 111.2 | Y619 T622 S666 I670 F673 | Y619-I668 HydrophobicContact CD1-CD1 3.65Å; Y619-I668 HydrophobicContact CE1-CD1 4.23Å; Y619-I668 HydrophobicContact CG-CD1 4.39Å; T622-I668 HydrophobicContact CG2-CD1 3.9Å; T622-I668 HydrophobicContact CG2-CG1 3.74Å; T622-I668 WeakPolarHBondContact OG1-CD1 3.42Å; S666-I668 VanDerWaalsContact C-N 3.35Å; S666-I668 WeakPolarHBondContact OG-CG1 3.41Å; S666-I668 PolarHBondContact OG-N 3.45Å; I668-I670 PolarHBondContact O-N 3.4Å; I668-F673 HydrophobicContact CG2-CD2 3.86Å; I668-F673 HydrophobicContact CG2-CE2 3.15Å; I668-F673 HydrophobicContact CG2-CZ 3.76Å |
| 669 | K | 74.7 | Confident | 78.3 | Confident | 172 Ų | 172 | 79.6 Ų | 79.6 | 75% | 0.748 | 45% | 0.451 | S | S | * | . | trans | -67.7 | 115 | 175.6 | -70.7 | -176.4 | -180 | 178.3 | 0 | 110.6 | S671 G672 | K669-S671 PolarHBondContact O-N 2.78Å; K669-S671 VanDerWaalsContact O-N 3.09Å; K669-G672 PolarHBondContact O-N 3.07Å | ||
| 670 | I | 68.2 | Low | 78.3 | Confident | 110 Ų | 110 | 81.9 Ų | 81.9 | 56% | 0.564 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -58.3 | -25.4 | -177.1 | -61.3 | 165.4 | 0 | 0 | 0 | 112.8 | I668 G672 F673 | I668-I670 PolarHBondContact O-N 3.4Å; I670-G672 PolarHBondContact O-N 2.97Å; I670-F673 PolarHBondContact O-N 3.47Å |
| 671 | S | 67 | Low | 78.2 | Confident | 118 Ų | 118 | 86 Ų | 86 | 83% | 0.825 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -59.3 | -17.6 | -176.1 | 57.9 | 0 | 0 | 0 | 0 | 115.4 | K669 | K669-S671 PolarHBondContact O-N 2.78Å; K669-S671 VanDerWaalsContact O-N 3.09Å |
| 672 | G | 63.9 | Low | 78.1 | Confident | 67 Ų | 67 | 90.8 Ų | 90.8 | 69% | 0.691 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -96.5 | -1 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | K669 I670 | K669-G672 PolarHBondContact O-N 3.07Å; I670-G672 PolarHBondContact O-N 2.97Å |
| 673 | F | 67.3 | Low | 77.8 | Confident | 92 Ų | 92 | 92.5 Ų | 92.5 | 40% | 0.404 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -120.9 | 150.6 | -172.5 | -68.1 | -94.9 | 0 | 0 | 0 | 111.1 | I668 I670 F676 | I668-F673 HydrophobicContact CG2-CD2 3.86Å; I668-F673 HydrophobicContact CG2-CE2 3.15Å; I668-F673 HydrophobicContact CG2-CZ 3.76Å; I670-F673 PolarHBondContact O-N 3.47Å; F673-F676 HydrophobicContact CB-CD1 4Å; F673-F676 HydrophobicContact CB-CE1 3.74Å; F673-F676 HydrophobicContact CG-CE1 4.11Å |
| 674 | E | 66.5 | Low | 77.4 | Confident | 175 Ų | 175 | 89.9 Ų | 89.9 | 82% | 0.818 | 51% | 0.514 | S | S | * | . | trans | -58 | 148.5 | 164.4 | -68.3 | -175.7 | 170.9 | 0 | 0 | 109.7 | F676 | E674-F676 WeakPolarHBondContact O-CD1 3.42Å; E674-F676 PolarHBondContact O-N 2.82Å; E674-F676 VanDerWaalsContact O-N 3.12Å | ||
| 675 | P | 63.9 | Low | 76.7 | Confident | 133 Ų | 133 | 89.4 Ų | 89.4 | 86% | 0.864 | 51% | 0.513 | S | S | * | . | trans | -54.6 | 120.5 | -179 | -21.7 | 30.9 | 0 | 0 | 0 | 111.7 | ||||
| 676 | F | 70.7 | Confident | 75.9 | Confident | 88 Ų | 88 | 92.1 Ų | 92.1 | 39% | 0.386 | 52% | 0.522 | S | S | . | . | trans | -130.1 | 152.9 | 176.4 | 67.8 | -88.3 | 0 | 0 | 0 | 111.1 | F673 E674 F678 | F673-F676 HydrophobicContact CB-CD1 4Å; F673-F676 HydrophobicContact CB-CE1 3.74Å; F673-F676 HydrophobicContact CG-CE1 4.11Å; E674-F676 WeakPolarHBondContact O-CD1 3.42Å; E674-F676 PolarHBondContact O-N 2.82Å; E674-F676 VanDerWaalsContact O-N 3.12Å; F676-F678 HydrophobicContact CD2-CE1 4.46Å; F676-F678 HydrophobicContact CD2-CZ 4.41Å; F676-F678 HydrophobicContact CE2-CD1 4.23Å; F676-F678 HydrophobicContact CE2-CD2 4.45Å; F676-F678 AromaticContact CE2-CE1 3.6Å; F676-F678 HydrophobicContact CE2-CE1 3.6Å; F676-F678 AromaticContact CE2-CE2 3.84Å; F676-F678 HydrophobicContact CE2-CE2 3.84Å; F676-F678 AromaticContact CE2-CZ 3.36Å; F676-F678 HydrophobicContact CE2-CZ 3.36Å; F676-F678 HydrophobicContact CZ-CE1 4.46Å; F676-F678 HydrophobicContact CZ-CE2 4.44Å; F676-F678 AromaticContact CZ-CZ 3.92Å; F676-F678 HydrophobicContact CZ-CZ 3.92Å | ||
| 677 | C | 71.3 | Confident | 74.8 | Confident | 126 Ų | 126 | 95 Ų | 95 | 85% | 0.851 | 53% | 0.531 | S | S | * | . | trans | -114 | 134.5 | 175.7 | -68 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 678 | F | 79.3 | Confident | 73.3 | Confident | 59 Ų | 59 | 98 Ų | 98 | 26% | 0.259 | 54% | 0.536 | S | S | . | . | trans | -74.7 | 140.1 | 173.8 | -65.8 | -75.8 | 0 | 0 | 0 | 111.4 | L623 L664 S666 F676 | L623-F678 HydrophobicContact CD2-CE1 4.45Å; L664-F678 HydrophobicContact CB-CB 4.28Å; L664-F678 HydrophobicContact CB-CD1 4.31Å; L664-F678 HydrophobicContact CD2-CD1 4.16Å; L664-F678 HydrophobicContact CG-CD1 4.02Å; L664-F678 WeakPolarHBondContact O-CB 3.29Å; L664-F678 VanDerWaalsContact O-CG 3.3Å; L664-F678 WeakPolarHBondContact O-CG 3.4Å; S666-F678 VanDerWaalsContact CB-CZ 3.45Å; S666-F678 VanDerWaalsContact N-CZ 3.34Å; F676-F678 HydrophobicContact CD2-CE1 4.46Å; F676-F678 HydrophobicContact CD2-CZ 4.41Å; F676-F678 HydrophobicContact CE2-CD1 4.23Å; F676-F678 HydrophobicContact CE2-CD2 4.45Å; F676-F678 AromaticContact CE2-CE1 3.6Å; F676-F678 HydrophobicContact CE2-CE1 3.6Å; F676-F678 AromaticContact CE2-CE2 3.84Å; F676-F678 HydrophobicContact CE2-CE2 3.84Å; F676-F678 AromaticContact CE2-CZ 3.36Å; F676-F678 HydrophobicContact CE2-CZ 3.36Å; F676-F678 HydrophobicContact CZ-CE1 4.46Å; F676-F678 HydrophobicContact CZ-CE2 4.44Å; F676-F678 AromaticContact CZ-CZ 3.92Å; F676-F678 HydrophobicContact CZ-CZ 3.92Å | ||
| 679 | P | 82.3 | Confident | 72 | Confident | 82 Ų | 82 | 101.5 Ų | 101.5 | 53% | 0.532 | 55% | 0.554 | S | S | . | * | trans | -69.2 | 149.3 | 177.8 | 28.6 | -35.3 | 0 | 0 | 0 | 112.5 | L664 | L664-P679 HydrophobicContact CB-CG 4.13Å; L664-P679 HydrophobicContact CD2-CG 4.12Å; L664-P679 PolarHBondContact N-O 3.37Å; L664-P679 VanDerWaalsContact N-O 3.14Å | ||
| 680 | E | 85.8 | Confident | 70.5 | Confident | 98 Ų | 98 | 100.6 Ų | 100.6 | 46% | 0.458 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.1 | 131.7 | 172.1 | -173.7 | 175 | 141.2 | 0 | 0 | 109.1 | A661 V662 R663 | A661-E680 HydrophobicContact CB-CG 4.41Å; V662-E680 CarbonylContact O-C 3.55Å; V662-E680 WeakPolarHBondContact O-CA 3.35Å; R663-E680 HydrophobicContact CB-CG 4.22Å; R663-E680 HydrophobicContact CG-CB 4.44Å; R663-E680 IonicContact NH1-OE2 3.72Å |
| 681 | V | 86.3 | Confident | 69.6 | Low | 89 Ų | 89 | 102.3 Ų | 102.3 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.7 | -179.9 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | V662 | V662-V681 PolarHBondContact N-O 2.92Å; V662-V681 PolarHBondContact O-N 2.82Å |
| 682 | I | 85.6 | Confident | 68.5 | Low | 106 Ų | 106 | 101.2 Ų | 101.2 | 54% | 0.544 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.1 | 176.9 | -58.2 | 176 | 0 | 0 | 0 | 108.7 | V659 Y660 | V659-I682 HydrophobicContact CG1-CG2 3.34Å; Y660-I682 CarbonylContact O-C 3.6Å; Y660-I682 WeakPolarHBondContact O-CA 3.33Å |
| 683 | L | 83.4 | Confident | 67.4 | Low | 47 Ų | 47 | 107.4 Ų | 107.4 | 25% | 0.246 | 56% | 0.561 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.7 | -179.5 | 53.6 | 95 | 0 | 0 | 0 | 111.7 | V609 V659 Y660 V662 V685 | V609-L683 HydrophobicContact CG1-CD1 4.27Å; V609-L683 HydrophobicContact CG1-CD2 3.92Å; V609-L683 HydrophobicContact CG2-CD1 4.18Å; V659-L683 CarbonylContact C-O 3.55Å; V659-L683 WeakPolarHBondContact CA-O 3.09Å; Y660-L683 HydrophobicContact CD2-CD1 4.44Å; Y660-L683 PolarHBondContact N-O 2.61Å; Y660-L683 PolarHBondContact O-N 2.85Å; V662-L683 HydrophobicContact CG2-CD2 3.74Å; V662-L683 HydrophobicContact CG2-CG 4.47Å; L683-V685 HydrophobicContact CD1-CG2 3.78Å |
| 684 | V | 79.4 | Confident | 66.5 | Low | 80 Ų | 80 | 110.4 Ų | 110.4 | 49% | 0.485 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116 | 123.1 | 178.3 | -169.2 | 0 | 0 | 0 | 0 | 108.4 | G657 S658 V659 I686 | G657-V684 WeakPolarHBondContact O-CG1 3.27Å; S658-V684 WeakPolarHBondContact O-CA 3.34Å; V659-V684 HydrophobicContact CG1-CG2 4.46Å; V659-V684 HydrophobicContact CG2-CG2 4.09Å; V684-I686 HydrophobicContact CG1-CD1 3.9Å; V684-I686 HydrophobicContact CG1-CG1 3.97Å |
| 685 | V | 75.7 | Confident | 65.2 | Low | 12 Ų | 12 | 111.2 Ų | 111.2 | 7% | 0.073 | 58% | 0.577 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 105.9 | -175.6 | -170 | 0 | 0 | 0 | 0 | 109.7 | M607 V609 V653 A655 G657 S658 Y660 L683 | M607-V685 HydrophobicContact CB-CG1 3.82Å; M607-V685 HydrophobicContact CG-CG1 4.37Å; V609-V685 HydrophobicContact CG2-CG2 4.38Å; V653-V685 HydrophobicContact CG2-CB 4.4Å; V653-V685 HydrophobicContact CG2-CG1 4.22Å; V653-V685 HydrophobicContact CG2-CG2 3.83Å; A655-V685 CarbonylContact C-O 3.54Å; A655-V685 HydrophobicContact CB-CG1 4.13Å; G657-V685 VanDerWaalsContact CA-O 3.23Å; G657-V685 WeakPolarHBondContact CA-O 3.31Å; G657-V685 PolarHBondContact N-O 2.76Å; S658-V685 PolarHBondContact O-N 3.49Å; S658-V685 VanDerWaalsContact O-N 3.09Å; Y660-V685 HydrophobicContact CD2-CG2 3.92Å; Y660-V685 HydrophobicContact CE2-CG2 4.1Å; L683-V685 HydrophobicContact CD1-CG2 3.78Å |
| 686 | I | 69.9 | Low | 64.1 | Low | 107 Ų | 107 | 114.1 Ų | 114.1 | 55% | 0.549 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.3 | 135.4 | -178 | -61.9 | 166.2 | 0 | 0 | 0 | 109.9 | V684 M688 | V684-I686 HydrophobicContact CG1-CD1 3.9Å; V684-I686 HydrophobicContact CG1-CG1 3.97Å; I686-M688 PolarHBondContact O-N 2.87Å |
| 687 | F | 63.7 | Low | 62.5 | Low | 93 Ų | 93 | 118.5 Ų | 118.5 | 41% | 0.408 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -74.6 | 117.7 | 170.5 | -165.4 | -91.7 | 0 | 0 | 0 | 111 | N604 A655 L689 | N604-F687 WeakPolarHBondContact O-CE2 3.43Å; A655-F687 HydrophobicContact CB-CB 4.12Å; F687-L689 HydrophobicContact CE1-CD1 4.3Å |
| 688 | M | 52.6 | Low | 61.1 | Low | 158 Ų | 158 | 120.5 Ų | 120.5 | 78% | 0.778 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 122.9 | 169.8 | -98.3 | -169.7 | -77.6 | 0 | 0 | 110.6 | I686 | I686-M688 PolarHBondContact O-N 2.87Š|
| 689 | L | 53.8 | Low | 59.2 | Low | 119 Ų | 119 | 121.5 Ų | 121.5 | 62% | 0.623 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 117 | 177.7 | -164.1 | 108.8 | 0 | 0 | 0 | 109.3 | F687 E691 | F687-L689 HydrophobicContact CE1-CD1 4.3Å; L689-E691 HydrophobicContact CD2-CG 3.54Å |
| 690 | L | 43.2 | Very low | 56.9 | Low | 154 Ų | 154 | 128.9 Ų | 128.9 | 81% | 0.806 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 116.2 | 164.4 | -85.8 | 85.1 | 0 | 0 | 0 | 108.7 | P692 | L690-P692 WeakPolarHBondContact O-CD 3.39Š|
| 691 | E | 50.6 | Low | 54.4 | Low | 146 Ų | 146 | 127.6 Ų | 127.6 | 68% | 0.682 | 65% | 0.654 | S | S | * | * | trans | -91.1 | 100.9 | 169.6 | -64.8 | -175.2 | 167.4 | 0 | 0 | 109.6 | L689 F693 | L689-E691 HydrophobicContact CD2-CG 3.54Å; E691-F693 PolarHBondContact O-N 3.45Å | ||
| 692 | P | 43 | Very low | 52.3 | Low | 95 Ų | 95 | 127.9 Ų | 127.9 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | trans | -72.2 | 113.4 | 168.6 | 27.8 | -31.8 | 0 | 0 | 0 | 109.2 | L690 Q694 | L690-P692 WeakPolarHBondContact O-CD 3.39Å; P692-Q694 PolarHBondContact O-N 2.84Å | ||
| 693 | F | 42.4 | Very low | 50.3 | Low | 197 Ų | 197 | 129.2 Ų | 129.2 | 86% | 0.864 | 67% | 0.673 | S | S | * | * | trans | -63.5 | 100.6 | 160 | -91.2 | -87 | 0 | 0 | 0 | 108.6 | E691 K695 | E691-F693 PolarHBondContact O-N 3.45Å; F693-K695 PolarHBondContact O-N 3.48Å; F693-K695 VanDerWaalsContact O-N 3.1Å | ||
| 694 | Q | 48.2 | Very low | 48.2 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | trans | -71.6 | 104.4 | 172 | -71.6 | -69.2 | -41.1 | 0 | 0 | 109.1 | P692 K696 | P692-Q694 PolarHBondContact O-N 2.84Å; Q694-K696 PolarHBondContact O-N 2.81Å | ||
| 695 | K | 38.3 | Very low | 46.7 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | trans | -63.1 | 122 | 155.2 | -111.9 | -179 | -179.8 | 176.3 | 0 | 106.3 | F693 Q697 | F693-K695 PolarHBondContact O-N 3.48Å; F693-K695 VanDerWaalsContact O-N 3.1Å; K695-Q697 PolarHBondContact O-N 2.79Å | ||
| 696 | K | 41 | Very low | 45.8 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -43.1 | 97.4 | 175.7 | -77.2 | -178 | 175.5 | -179.5 | 0 | 110.8 | Q694 | Q694-K696 PolarHBondContact O-N 2.81Š| ||
| 697 | Q | 37 | Very low | 45.5 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 117.5 | 159.5 | -78.1 | -164.8 | -17.2 | 0 | 0 | 106.5 | K695 G699 | K695-Q697 PolarHBondContact O-N 2.79Å; Q697-G699 PolarHBondContact O-N 2.8Å |
| 698 | H | 41.5 | Very low | 45.6 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 124 | 170.9 | -78.1 | 45.7 | 0 | 0 | 0 | 107.8 | Y700 | H698-Y700 PolarHBondContact O-N 3.46Š|
| 699 | G | 40 | Very low | 46.5 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 117.8 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q697 | Q697-G699 PolarHBondContact O-N 2.8Š|
| 700 | Y | 33.5 | Very low | 47.4 | Very low | 236 Ų | 236 | 145.8 Ų | 145.8 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | trans | -94.9 | 99.7 | 156 | -97.4 | -90.2 | 0 | 0 | 0 | 107.4 | H698 | H698-Y700 PolarHBondContact O-N 3.46Š| ||
| 701 | G | 33.6 | Very low | 49.1 | Very low | 72 Ų | 72 | 141.5 Ų | 141.5 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | trans | -150.6 | 49.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 702 | S | 42.7 | Very low | 50.6 | Low | 95 Ų | 95 | 139.5 Ų | 139.5 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -144.1 | 115.9 | 157.5 | -90.3 | 0 | 0 | 0 | 0 | 108.4 | ||
| 703 | T | 43 | Very low | 52.4 | Low | 134 Ų | 134 | 136.8 Ų | 136.8 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | -36.6 | 134.8 | 173.2 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | G705 | T703-G705 PolarHBondContact O-N 3.22Š| ||
| 704 | R | 39.4 | Very low | 54.4 | Low | 257 Ų | 257 | 133.8 Ų | 133.8 | 97% | 0.97 | 71% | 0.706 | S | S | * | * | trans | -58.6 | 75.3 | 174.4 | -69.5 | 179.8 | 172.5 | -176.9 | -2.1 | 111.9 | ||||
| 705 | G | 48.7 | Very low | 56.1 | Low | 52 Ų | 52 | 132 Ų | 132 | 54% | 0.536 | 70% | 0.701 | S | S | . | * | trans | -84.1 | 120.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | T703 Y707 | T703-G705 PolarHBondContact O-N 3.22Å; G705-Y707 PolarHBondContact O-N 2.89Å | ||
| 706 | S | 55.3 | Low | 58.3 | Low | 94 Ų | 94 | 127.1 Ų | 127.1 | 66% | 0.657 | 69% | 0.687 | S | S | * | * | trans | -49.3 | 109.9 | -178.3 | -74.3 | 0 | 0 | 0 | 0 | 111 | L708 A709 | S706-L708 PolarHBondContact O-N 3.22Å; S706-A709 WeakPolarHBondContact O-CB 3.34Å; S706-A709 PolarHBondContact O-N 3.1Å | ||
| 707 | Y | 63.8 | Low | 60.3 | Low | 201 Ų | 201 | 120.6 Ų | 120.6 | 79% | 0.788 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -10.4 | 172.5 | -75.3 | -86.5 | 0 | 0 | 0 | 113.6 | G705 P711 | G705-Y707 PolarHBondContact O-N 2.89Å; Y707-P711 WeakPolarHBondContact O-CD 3.28Å |
| 708 | L | 66.1 | Low | 62.4 | Low | 119 Ų | 119 | 115 Ų | 115 | 62% | 0.623 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -18.5 | 174.1 | -66.8 | 171.4 | 0 | 0 | 0 | 114 | S706 F710 P711 I712 | S706-L708 PolarHBondContact O-N 3.22Å; L708-F710 VanDerWaalsContact C-N 3.35Å; L708-F710 PolarHBondContact O-N 2.96Å; L708-P711 WeakPolarHBondContact O-CD 3.44Å; L708-P711 WeakPolarHBondContact O-CG 3.37Å; L708-I712 HydrophobicContact CB-CD1 3.97Å; L708-I712 VanDerWaalsContact O-CB 3.28Å; L708-I712 WeakPolarHBondContact O-CB 3.42Å; L708-I712 VanDerWaalsContact O-CD1 3.31Å; L708-I712 WeakPolarHBondContact O-CD1 3.45Å; L708-I712 WeakPolarHBondContact O-CG1 3.4Å; L708-I712 PolarHBondContact O-N 2.84Å |
| 709 | A | 71.7 | Confident | 64.3 | Low | 69 Ų | 69 | 110.2 Ų | 110.2 | 57% | 0.57 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.2 | -38.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S706 G713 | S706-A709 WeakPolarHBondContact O-CB 3.34Å; S706-A709 PolarHBondContact O-N 3.1Å; A709-G713 PolarHBondContact O-N 2.99Å |
| 710 | F | 73.4 | Confident | 66.3 | Low | 172 Ų | 172 | 109.6 Ų | 109.6 | 75% | 0.754 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.5 | -51.2 | 179.6 | -166 | -92.8 | 0 | 0 | 0 | 113.4 | L708 I712 G713 F714 | L708-F710 VanDerWaalsContact C-N 3.35Å; L708-F710 PolarHBondContact O-N 2.96Å; F710-I712 VanDerWaalsContact C-N 3.33Å; F710-I712 PolarHBondContact O-N 3.39Å; F710-G713 PolarHBondContact O-N 2.8Å; F710-F714 WeakPolarHBondContact O-CB 3.08Å; F710-F714 PolarHBondContact O-N 3.14Å |
| 711 | P | 78.3 | Confident | 68.6 | Low | 64 Ų | 64 | 108 Ų | 108 | 42% | 0.416 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.8 | -35.2 | 175.9 | 22.3 | -31.4 | 0 | 0 | 0 | 112.6 | Y707 L708 L715 | Y707-P711 WeakPolarHBondContact O-CD 3.28Å; L708-P711 WeakPolarHBondContact O-CD 3.44Å; L708-P711 WeakPolarHBondContact O-CG 3.37Å; P711-L715 VanDerWaalsContact O-CB 3.32Å; P711-L715 WeakPolarHBondContact O-CB 3.27Å; P711-L715 PolarHBondContact O-N 3.32Å |
| 712 | I | 81.4 | Confident | 70.5 | Confident | 103 Ų | 103 | 107.7 Ų | 107.7 | 53% | 0.528 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.8 | -46.3 | 175.1 | -66.5 | 168.4 | 0 | 0 | 0 | 110.6 | L708 F710 F714 L715 V716 | L708-I712 HydrophobicContact CB-CD1 3.97Å; L708-I712 VanDerWaalsContact O-CB 3.28Å; L708-I712 WeakPolarHBondContact O-CB 3.42Å; L708-I712 VanDerWaalsContact O-CD1 3.31Å; L708-I712 WeakPolarHBondContact O-CD1 3.45Å; L708-I712 WeakPolarHBondContact O-CG1 3.4Å; L708-I712 PolarHBondContact O-N 2.84Å; F710-I712 VanDerWaalsContact C-N 3.33Å; F710-I712 PolarHBondContact O-N 3.39Å; I712-F714 VanDerWaalsContact C-N 3.33Å; I712-F714 PolarHBondContact O-N 2.78Å; I712-L715 PolarHBondContact O-N 2.81Å; I712-V716 HydrophobicContact CG2-CG2 4.49Å; I712-V716 WeakPolarHBondContact O-CG2 3.45Å; I712-V716 PolarHBondContact O-N 2.83Å |
| 713 | G | 81.2 | Confident | 71.8 | Confident | 39 Ų | 39 | 109 Ų | 109 | 40% | 0.402 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.6 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A709 F710 V716 A717 | A709-G713 PolarHBondContact O-N 2.99Å; F710-G713 PolarHBondContact O-N 2.8Å; G713-V716 PolarHBondContact O-N 3.01Å; G713-A717 WeakPolarHBondContact O-CB 3.08Å; G713-A717 PolarHBondContact O-N 2.84Å |
| 714 | F | 84 | Confident | 73.1 | Confident | 134 Ų | 134 | 108.2 Ų | 108.2 | 59% | 0.588 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.2 | -43.7 | 174.1 | -175.4 | -99.7 | 0 | 0 | 0 | 111.8 | F710 I712 V716 A717 V718 | F710-F714 WeakPolarHBondContact O-CB 3.08Å; F710-F714 PolarHBondContact O-N 3.14Å; I712-F714 VanDerWaalsContact C-N 3.33Å; I712-F714 PolarHBondContact O-N 2.78Å; F714-V716 PolarHBondContact O-N 3.1Å; F714-A717 PolarHBondContact O-N 2.88Å; F714-V718 HydrophobicContact CD1-CG2 4.04Å; F714-V718 HydrophobicContact CE1-CG2 3.68Å; F714-V718 HydrophobicContact CE2-CG2 4.43Å; F714-V718 HydrophobicContact CZ-CG2 3.89Å; F714-V718 VanDerWaalsContact O-CG2 3.3Å; F714-V718 WeakPolarHBondContact O-CG2 3.21Å; F714-V718 PolarHBondContact O-N 3.06Å |
| 715 | L | 83.3 | Confident | 74.1 | Confident | 115 Ų | 115 | 102.5 Ų | 102.5 | 60% | 0.602 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65 | -40.5 | 179 | -152.5 | 153.3 | 0 | 0 | 0 | 111.4 | P711 I712 V718 V719 | P711-L715 VanDerWaalsContact O-CB 3.32Å; P711-L715 WeakPolarHBondContact O-CB 3.27Å; P711-L715 PolarHBondContact O-N 3.32Å; I712-L715 PolarHBondContact O-N 2.81Å; L715-V718 PolarHBondContact O-N 2.94Å; L715-V719 HydrophobicContact CD2-CG2 4.17Å; L715-V719 VanDerWaalsContact O-CG2 3.3Å; L715-V719 WeakPolarHBondContact O-CG2 3.24Å; L715-V719 PolarHBondContact O-N 3.33Å |
| 716 | V | 85 | Confident | 74.7 | Confident | 92 Ų | 92 | 102.7 Ų | 102.7 | 56% | 0.558 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.1 | -42.2 | 173 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | I712 G713 F714 V719 A720 | I712-V716 HydrophobicContact CG2-CG2 4.49Å; I712-V716 WeakPolarHBondContact O-CG2 3.45Å; I712-V716 PolarHBondContact O-N 2.83Å; G713-V716 PolarHBondContact O-N 3.01Å; F714-V716 PolarHBondContact O-N 3.1Å; V716-V719 PolarHBondContact O-N 3.35Å; V716-A720 WeakPolarHBondContact O-CB 3.42Å; V716-A720 PolarHBondContact O-N 2.85Å |
| 717 | A | 83 | Confident | 74.8 | Confident | 57 Ų | 57 | 101.8 Ų | 101.8 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G713 F714 A720 Y721 | G713-A717 WeakPolarHBondContact O-CB 3.08Å; G713-A717 PolarHBondContact O-N 2.84Å; F714-A717 PolarHBondContact O-N 2.88Å; A717-A720 PolarHBondContact O-N 2.89Å; A717-Y721 VanDerWaalsContact O-CB 3.29Å; A717-Y721 WeakPolarHBondContact O-CB 2.89Å; A717-Y721 PolarHBondContact O-N 3.16Å |
| 718 | V | 82.5 | Confident | 74.4 | Confident | 60 Ų | 60 | 101.4 Ų | 101.4 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 175.2 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | F714 L715 Y721 N722 | F714-V718 HydrophobicContact CD1-CG2 4.04Å; F714-V718 HydrophobicContact CE1-CG2 3.68Å; F714-V718 HydrophobicContact CE2-CG2 4.43Å; F714-V718 HydrophobicContact CZ-CG2 3.89Å; F714-V718 VanDerWaalsContact O-CG2 3.3Å; F714-V718 WeakPolarHBondContact O-CG2 3.21Å; F714-V718 PolarHBondContact O-N 3.06Å; L715-V718 PolarHBondContact O-N 2.94Å; V718-Y721 PolarHBondContact O-N 2.91Å; V718-N722 PolarHBondContact O-N 2.86Å |
| 719 | V | 81.3 | Confident | 74.1 | Confident | 70 Ų | 70 | 102.6 Ų | 102.6 | 42% | 0.424 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | L715 V716 N722 F723 | L715-V719 HydrophobicContact CD2-CG2 4.17Å; L715-V719 VanDerWaalsContact O-CG2 3.3Å; L715-V719 WeakPolarHBondContact O-CG2 3.24Å; L715-V719 PolarHBondContact O-N 3.33Å; V716-V719 PolarHBondContact O-N 3.35Å; V719-N722 CarbonylContact O-C 3.55Å; V719-N722 PolarHBondContact O-N 2.88Å; V719-F723 PolarHBondContact O-N 2.89Å; V719-F723 VanDerWaalsContact O-N 3.15Å |
| 720 | A | 81.7 | Confident | 73.4 | Confident | 67 Ų | 67 | 103.8 Ų | 103.8 | 55% | 0.554 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.7 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V716 A717 F723 | V716-A720 WeakPolarHBondContact O-CB 3.42Å; V716-A720 PolarHBondContact O-N 2.85Å; A717-A720 PolarHBondContact O-N 2.89Å; A720-F723 WeakPolarHBondContact O-CB 3.43Å; A720-F723 PolarHBondContact O-N 2.9Å |
| 721 | Y | 80.8 | Confident | 72.3 | Confident | 201 Ų | 201 | 100.6 Ų | 100.6 | 79% | 0.788 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66 | -37.6 | 177.8 | -172 | -98.8 | 0 | 0 | 0 | 112.1 | A717 V718 | A717-Y721 VanDerWaalsContact O-CB 3.29Å; A717-Y721 WeakPolarHBondContact O-CB 2.89Å; A717-Y721 PolarHBondContact O-N 3.16Å; V718-Y721 PolarHBondContact O-N 2.91Å |
| 722 | N | 73.4 | Confident | 71 | Confident | 67 Ų | 67 | 106.4 Ų | 106.4 | 36% | 0.358 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.7 | 24.3 | 177.9 | -79 | -47.5 | 0 | 0 | 0 | 113.9 | V718 V719 T724 M725 V726 | V718-N722 PolarHBondContact O-N 2.86Å; V719-N722 CarbonylContact O-C 3.55Å; V719-N722 PolarHBondContact O-N 2.88Å; N722-T724 PolarHBondContact O-N 2.98Å; N722-T724 VanDerWaalsContact O-N 3.08Å; N722-M725 PolarHBondContact O-N 2.87Å; N722-V726 WeakPolarHBondContact O-CG2 3.05Å; N722-V726 PolarHBondContact O-N 3.15Å; N722-V726 VanDerWaalsContact O-N 3.12Å |
| 723 | F | 70.2 | Confident | 69.3 | Low | 121 Ų | 121 | 109.5 Ų | 109.5 | 53% | 0.531 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -53.7 | -35.1 | -175.7 | 179.7 | -99.8 | 0 | 0 | 0 | 113.1 | V719 A720 M725 V726 L727 | V719-F723 PolarHBondContact O-N 2.89Å; V719-F723 VanDerWaalsContact O-N 3.15Å; A720-F723 WeakPolarHBondContact O-CB 3.43Å; A720-F723 PolarHBondContact O-N 2.9Å; F723-M725 PolarHBondContact O-N 3.34Å; F723-V726 PolarHBondContact O-N 2.77Å; F723-L727 HydrophobicContact CE1-CD1 3.93Å; F723-L727 HydrophobicContact CE1-CD2 3.97Å; F723-L727 HydrophobicContact CE1-CG 4.38Å; F723-L727 HydrophobicContact CE2-CD1 4.01Å; F723-L727 HydrophobicContact CZ-CD1 3.5Å; F723-L727 HydrophobicContact CZ-CD2 4.36Å; F723-L727 HydrophobicContact CZ-CG 4.42Å; F723-L727 VanDerWaalsContact O-CB 3.26Å; F723-L727 WeakPolarHBondContact O-CB 3.32Å; F723-L727 PolarHBondContact O-N 2.04Å |
| 724 | T | 70.8 | Confident | 67.5 | Low | 118 Ų | 118 | 111.6 Ų | 111.6 | 72% | 0.724 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.2 | -31.2 | 179 | 50.4 | 0 | 0 | 0 | 0 | 114 | N722 | N722-T724 PolarHBondContact O-N 2.98Å; N722-T724 VanDerWaalsContact O-N 3.08Å |
| 725 | M | 61.2 | Low | 65.3 | Low | 137 Ų | 137 | 115.8 Ų | 115.8 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -78.7 | -36.1 | 173 | -88 | -170.3 | 165.2 | 0 | 0 | 112.1 | N722 F723 | N722-M725 PolarHBondContact O-N 2.87Å; F723-M725 PolarHBondContact O-N 3.34Å |
| 726 | V | 60.7 | Low | 63.1 | Low | 57 Ų | 57 | 112.7 Ų | 112.7 | 35% | 0.345 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.1 | -36.5 | 178.5 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | N722 F723 W728 H729 V730 | N722-V726 WeakPolarHBondContact O-CG2 3.05Å; N722-V726 PolarHBondContact O-N 3.15Å; N722-V726 VanDerWaalsContact O-N 3.12Å; F723-V726 PolarHBondContact O-N 2.77Å; V726-W728 VanDerWaalsContact C-N 3.3Å; V726-W728 PolarHBondContact O-N 3.36Å; V726-H729 PolarHBondContact O-N 3.17Å; V726-V730 HydrophobicContact CG1-CG2 4.11Å; V726-V730 WeakPolarHBondContact O-CG2 3.49Å; V726-V730 PolarHBondContact O-N 3.37Å |
| 727 | L | 57.5 | Low | 60.6 | Low | 74 Ų | 74 | 115.1 Ų | 115.1 | 39% | 0.387 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.8 | -32.2 | 179.7 | -155.1 | 74.2 | 0 | 0 | 0 | 112.6 | F723 L731 | F723-L727 HydrophobicContact CE1-CD1 3.93Å; F723-L727 HydrophobicContact CE1-CD2 3.97Å; F723-L727 HydrophobicContact CE1-CG 4.38Å; F723-L727 HydrophobicContact CE2-CD1 4.01Å; F723-L727 HydrophobicContact CZ-CD1 3.5Å; F723-L727 HydrophobicContact CZ-CD2 4.36Å; F723-L727 HydrophobicContact CZ-CG 4.42Å; F723-L727 VanDerWaalsContact O-CB 3.26Å; F723-L727 WeakPolarHBondContact O-CB 3.32Å; F723-L727 PolarHBondContact O-N 2.04Å; L727-L731 HydrophobicContact CD2-CD1 4.13Å; L727-L731 HydrophobicContact CG-CD1 3.79Å; L727-L731 HydrophobicContact CG-CG 4.35Å; L727-L731 VanDerWaalsContact O-CB 3.26Å; L727-L731 WeakPolarHBondContact O-CB 3.09Å; L727-L731 VanDerWaalsContact O-CG 3.26Å; L727-L731 WeakPolarHBondContact O-CG 3.22Å; L727-L731 PolarHBondContact O-N 3.3Å |
| 728 | W | 55.8 | Low | 58 | Low | 193 Ų | 193 | 118.6 Ų | 118.6 | 73% | 0.731 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.7 | -38.2 | 176.3 | -167.4 | -95.5 | 0 | 0 | 0 | 112.3 | V726 Y732 | V726-W728 VanDerWaalsContact C-N 3.3Å; V726-W728 PolarHBondContact O-N 3.36Å; W728-Y732 WeakPolarHBondContact O-CB 2.8Å; W728-Y732 PolarHBondContact O-N 3.23Å |
| 729 | H | 58 | Low | 55.5 | Low | 144 Ų | 144 | 121.1 Ų | 121.1 | 67% | 0.667 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.9 | -36.7 | 176.6 | -82.9 | -61.4 | 0 | 0 | 0 | 112.8 | V726 | V726-H729 PolarHBondContact O-N 3.17Å |
| 730 | V | 58.2 | Low | 53 | Low | 95 Ų | 95 | 123.8 Ų | 123.8 | 58% | 0.576 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76 | -32 | -180 | 177.7 | 0 | 0 | 0 | 0 | 112 | V726 | V726-V730 HydrophobicContact CG1-CG2 4.11Å; V726-V730 WeakPolarHBondContact O-CG2 3.49Å; V726-V730 PolarHBondContact O-N 3.37Å |
| 731 | L | 51 | Low | 50.5 | Low | 105 Ų | 105 | 125 Ų | 125 | 55% | 0.55 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -79.9 | -19.3 | 178 | -72.8 | 171.4 | 0 | 0 | 0 | 114.1 | L727 S734 | L727-L731 HydrophobicContact CD2-CD1 4.13Å; L727-L731 HydrophobicContact CG-CD1 3.79Å; L727-L731 HydrophobicContact CG-CG 4.35Å; L727-L731 VanDerWaalsContact O-CB 3.26Å; L727-L731 WeakPolarHBondContact O-CB 3.09Å; L727-L731 VanDerWaalsContact O-CG 3.26Å; L727-L731 WeakPolarHBondContact O-CG 3.22Å; L727-L731 PolarHBondContact O-N 3.3Å; L731-S734 PolarHBondContact O-OG 3.14Å |
| 732 | Y | 50.5 | Low | 48.1 | Very low | 186 Ų | 186 | 123.6 Ų | 123.6 | 73% | 0.729 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -85.1 | -28.4 | -180 | -156.7 | -99.8 | 0 | 0 | 0 | 113.3 | W728 | W728-Y732 WeakPolarHBondContact O-CB 2.8Å; W728-Y732 PolarHBondContact O-N 3.23Å |
| 733 | E | 45.6 | Very low | 45.9 | Very low | 167 Ų | 167 | 127.4 Ų | 127.4 | 78% | 0.78 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -87 | -13.2 | 176.5 | -75.7 | -173.7 | 161 | 0 | 0 | 113.7 | Y735 G736 | E733-Y735 PolarHBondContact O-N 3.4Å; E733-Y735 VanDerWaalsContact O-N 3.15Å; E733-G736 PolarHBondContact O-N 2.74Å |
| 734 | S | 43.7 | Very low | 44 | Very low | 84 Ų | 84 | 127.7 Ų | 127.7 | 59% | 0.587 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 7 | 178.7 | 64.9 | 0 | 0 | 0 | 0 | 115.3 | L731 | L731-S734 PolarHBondContact O-OG 3.14Š|
| 735 | Y | 38 | Very low | 41.7 | Very low | 222 Ų | 222 | 127.7 Ų | 127.7 | 87% | 0.871 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 12.2 | 168.9 | -86.8 | -77.7 | 0 | 0 | 0 | 114.2 | E733 | E733-Y735 PolarHBondContact O-N 3.4Å; E733-Y735 VanDerWaalsContact O-N 3.15Å |
| 736 | G | 35.6 | Very low | 40 | Very low | 50 Ų | 50 | 126 Ų | 126 | 52% | 0.515 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -111.7 | 101.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E733 | E733-G736 PolarHBondContact O-N 2.74Š|
| 737 | T | 33.8 | Very low | 38.3 | Very low | 143 Ų | 143 | 128 Ų | 128 | 88% | 0.877 | 70% | 0.697 | S | S | * | * | trans | 67.2 | 99.7 | 153 | 50 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 738 | T | 28.4 | Very low | 36.7 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | -45.2 | 130.1 | 144.7 | -28.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 739 | T | 29.3 | Very low | 35.2 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | 157.3 | 135.3 | 117.3 | 35.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 740 | T | 29.4 | Very low | 33.6 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | trans | 62.7 | 139.6 | 148 | 50.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 741 | S | 29.5 | Very low | 32.1 | Very low | 91 Ų | 91 | 123.6 Ų | 123.6 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | cis | 172.6 | 161.6 | -5.4 | 46.8 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 742 | Q | 29.6 | Very low | 30.8 | Very low | 173 Ų | 173 | 123.3 Ų | 123.3 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | trans | 81.8 | 108.3 | 167.1 | -52.1 | -177.3 | -6.7 | 0 | 0 | 114.7 | ||||
| 743 | I | 27.2 | Very low | 29.9 | Very low | 147 Ų | 147 | 119.7 Ų | 119.7 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | 60.2 | 105.1 | 65.4 | -54.5 | 174.4 | 0 | 0 | 0 | 112.7 | |||||
| 744 | T | 29.3 | Very low | 28.9 | Very low | 127 Ų | 127 | 114.9 Ų | 114.9 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | trans | -175.8 | 105.6 | 145.3 | 13.8 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 745 | T | 24.3 | Very low | 27.9 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | 38.5 | 144.8 | 69 | 57.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 746 | S | 24.9 | Very low | 27.5 | Very low | 102 Ų | 102 | 116.3 Ų | 116.3 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | 89.2 | 100.5 | 174.9 | 78.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 747 | S | 24.1 | Very low | 26.8 | Very low | 98 Ų | 98 | 121 Ų | 121 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | 83.4 | 140.9 | 69.3 | 70.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 748 | S | 24.3 | Very low | 26.4 | Very low | 100 Ų | 100 | 120 Ų | 120 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | 61.2 | 127.1 | 152.2 | 63.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 749 | S | 24.9 | Very low | 26.5 | Very low | 98 Ų | 98 | 120.8 Ų | 120.8 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | 167.6 | 151 | 85 | 50.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 750 | S | 24.9 | Very low | 27.1 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | trans | 75.6 | 140 | 139.3 | 75.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 751 | T | 25.9 | Very low | 26.9 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | cis | -174.4 | 152.1 | 17.9 | -3.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 752 | S | 24.8 | Very low | 26.8 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | 46.1 | 132.6 | 136.8 | 73.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 753 | S | 30.5 | Very low | 26.7 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | 177.2 | 135.6 | 64.4 | 32.1 | 0 | 0 | 0 | 0 | 105.3 | |||||
| 754 | G | 24.9 | Very low | 26.6 | Very low | 66 Ų | 66 | 128 Ų | 128 | 68% | 0.68 | 75% | 0.745 | S | S | * | * | 76.9 | 112 | 78.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 755 | L | 23.3 | Very low | 26.5 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | 130.5 | 169.1 | 56.8 | -128.2 | 144.2 | 0 | 0 | 0 | 105.4 | M757 | L755-M757 HydrophobicContact CD2-CE 4.49Š| |||
| 756 | E | 28.2 | Very low | 26.6 | Very low | 182 Ų | 182 | 128.8 Ų | 128.8 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | trans | 84 | 102.5 | 179.4 | -58.4 | -170.2 | 157.1 | 0 | 0 | 114.7 | ||||
| 757 | M | 22.5 | Very low | 26.7 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | cis | 81.1 | 135.3 | 37.5 | -137.7 | -149.8 | -57.3 | 0 | 0 | 114.2 | L755 | L755-M757 HydrophobicContact CD2-CE 4.49Š| ||
| 758 | I | 25.3 | Very low | 26.9 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | trans | 73.7 | 135.5 | 158.6 | 2.9 | -172.6 | 0 | 0 | 0 | 117.1 | ||||
| 759 | H | 29.2 | Very low | 27.1 | Very low | 146 Ų | 146 | 136 Ų | 136 | 68% | 0.676 | 76% | 0.756 | S | S | * | * | cis | -158.5 | 144.9 | 34 | -113.2 | -75.6 | 0 | 0 | 0 | 113.8 | ||||
| 760 | Y | 41.4 | Very low | 27.4 | Very low | 290 Ų | 290 | 139.5 Ų | 139.5 | 100% | 1.137 | 76% | 0.762 | S | S | * | * | trans | 59.9 | 0 | 167.5 | -77.4 | -75.4 | 0 | 0 | 0 | 120 |
Retrieved 760 of 760 residues in 966.3 ms
(Link to these results)