| 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 | 45.4 | Very low | 72.6 | Confident | 238 Ų | 238 | 121.2 Ų | 121.2 | 100% | 1.172 | 62% | 0.617 | S | S | * | * | 0 | 102.9 | 0 | -53.7 | -177 | -171.8 | 0 | 0 | 106.1 | T3 | M1-T3 PolarHBondContact O-N 3.06Š| |||
| 2 | H | 47.2 | Very low | 74.5 | Confident | 187 Ų | 187 | 115.4 Ų | 115.4 | 87% | 0.866 | 58% | 0.584 | S | S | * | * | trans | -73.5 | 109.2 | 178.7 | -69.6 | 94.7 | 0 | 0 | 0 | 107.4 | T4 | H2-T4 PolarHBondContact O-N 2.94Š| ||
| 3 | T | 54.4 | Low | 76.2 | Confident | 131 Ų | 131 | 106.5 Ų | 106.5 | 80% | 0.804 | 54% | 0.539 | S | S | * | . | trans | -64.9 | 101.5 | 166.1 | -7 | 0 | 0 | 0 | 0 | 106.2 | M1 Q5 | M1-T3 PolarHBondContact O-N 3.06Å; T3-Q5 VanDerWaalsContact C-N 3.35Å; T3-Q5 PolarHBondContact O-N 3.18Å | ||
| 4 | T | 58.8 | Low | 77.7 | Confident | 135 Ų | 135 | 103.2 Ų | 103.2 | 83% | 0.828 | 52% | 0.52 | S | S | * | . | trans | -58.7 | 100.5 | 172.1 | -51.6 | 0 | 0 | 0 | 0 | 107.1 | H2 K6 | H2-T4 PolarHBondContact O-N 2.94Å; T4-K6 PolarHBondContact O-N 3.07Å | ||
| 5 | Q | 62 | Low | 78.9 | Confident | 189 Ų | 189 | 96.3 Ų | 96.3 | 88% | 0.883 | 49% | 0.485 | S | S | * | . | trans | -67.3 | 103.1 | 174.6 | -79.2 | -175 | 88.6 | 0 | 0 | 107.3 | T3 D7 | T3-Q5 VanDerWaalsContact C-N 3.35Å; T3-Q5 PolarHBondContact O-N 3.18Å; Q5-D7 PolarHBondContact O-N 3.08Å | ||
| 6 | K | 75 | Confident | 80 | Confident | 113 Ų | 113 | 90.8 Ų | 90.8 | 49% | 0.491 | 46% | 0.459 | S | S | . | . | trans | -63.4 | 128.7 | 170.6 | -168.6 | -178.9 | -173.9 | -170.1 | 0 | 107.8 | T4 T8 E38 | T4-K6 PolarHBondContact O-N 3.07Å; K6-T8 PolarHBondContact O-N 2.8Å; K6-E38 IonicContact NZ-OE1 2.67Å; K6-E38 PolarHBondContact NZ-OE1 3.34Å; K6-E38 IonicContact NZ-OE2 2.68Å; K6-E38 PolarHBondContact NZ-OE2 2.86Å | ||
| 7 | D | 84.6 | Confident | 80.9 | Confident | 116 Ų | 116 | 87.5 Ų | 87.5 | 62% | 0.62 | 45% | 0.454 | S | S | * | . | trans | -70.1 | 105.6 | 175.5 | -165.2 | -72.6 | 0 | 0 | 0 | 109 | Q5 T9 | Q5-D7 PolarHBondContact O-N 3.08Å; D7-T9 WeakPolarHBondContact OD1-CB 3.32Å; D7-T9 PolarHBondContact OD1-N 2.79Å; D7-T9 VanDerWaalsContact OD1-N 3.1Å; D7-T9 PolarHBondContact OD1-OG1 3.45Å; D7-T9 PolarHBondContact OD2-OG1 3.41Å | ||
| 8 | T | 90.8 | Very high | 81.8 | Confident | 42 Ų | 42 | 82.7 Ų | 82.7 | 26% | 0.258 | 43% | 0.429 | S | S | . | . | trans | -102 | 18 | 179 | 67.7 | 0 | 0 | 0 | 0 | 112 | K6 Y10 T11 K12 T58 | K6-T8 PolarHBondContact O-N 2.8Å; T8-Y10 PolarHBondContact O-N 3.44Å; T8-T11 VanDerWaalsContact CA-OG1 3.31Å; T8-T11 WeakPolarHBondContact CA-OG1 3.34Å; T8-T11 PolarHBondContact O-N 2.99Å; T8-K12 WeakPolarHBondContact O-CB 3.49Å; T8-K12 PolarHBondContact O-N 3.11Å; T8-T58 HydrophobicContact CG2-CG2 3.8Å | ||
| 9 | T | 90.9 | Very high | 82.5 | Confident | 51 Ų | 51 | 78.7 Ų | 78.7 | 31% | 0.313 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -39.7 | -172.3 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | D7 Y87 | D7-T9 WeakPolarHBondContact OD1-CB 3.32Å; D7-T9 PolarHBondContact OD1-N 2.79Å; D7-T9 VanDerWaalsContact OD1-N 3.1Å; D7-T9 PolarHBondContact OD1-OG1 3.45Å; D7-T9 PolarHBondContact OD2-OG1 3.41Å; T9-Y87 HydrophobicContact CG2-CD1 4.28Å; T9-Y87 HydrophobicContact CG2-CG 4.15Å; T9-Y87 VanDerWaalsContact O-CD1 3.29Å; T9-Y87 WeakPolarHBondContact O-CD1 3.31Å |
| 10 | Y | 94.1 | Very high | 83.1 | Confident | 115 Ų | 115 | 83.1 Ų | 83.1 | 45% | 0.451 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 1.8 | -177.6 | -55.7 | -73.8 | 0 | 0 | 0 | 114.5 | T8 A65 Y87 | T8-Y10 PolarHBondContact O-N 3.44Å; Y10-A65 WeakPolarHBondContact O-CB 3.43Å; Y10-Y87 HydrophobicContact CD1-CE1 4.45Å |
| 11 | T | 95.6 | Very high | 83.5 | Confident | 16 Ų | 16 | 85.4 Ų | 85.4 | 10% | 0.098 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -16.8 | -179.7 | 60.9 | 0 | 0 | 0 | 0 | 113 | T8 M59 R62 | T8-T11 VanDerWaalsContact CA-OG1 3.31Å; T8-T11 WeakPolarHBondContact CA-OG1 3.34Å; T8-T11 PolarHBondContact O-N 2.99Å; T11-M59 WeakPolarHBondContact CB-O 3.49Å; T11-M59 PolarHBondContact O-N 3.13Å; T11-R62 HydrophobicContact CG2-CB 4.33Å |
| 12 | K | 95.6 | Very high | 85.9 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 23% | 0.226 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127 | 177.6 | -167.2 | 170.5 | -172.9 | 156.5 | 0 | 111.3 | T8 V57 A86 | T8-K12 WeakPolarHBondContact O-CB 3.49Å; T8-K12 PolarHBondContact O-N 3.11Å; K12-V57 CarbonylContact C-O 3.43Å; K12-V57 WeakPolarHBondContact CA-O 3.49Å; K12-A86 HydrophobicContact CB-CB 4.05Å; K12-A86 HydrophobicContact CD-CB 4.21Å; K12-A86 HydrophobicContact CG-CB 3.73Å; K12-A86 WeakPolarHBondContact O-CB 3.5Å; K12-A86 PolarHBondContact O-N 3.37Å |
| 13 | I | 96.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 133.7 | -177.6 | -50.8 | 169.8 | 0 | 0 | 0 | 108.1 | V15 F31 F56 V57 M59 A65 A68 V83 N84 | I13-V15 HydrophobicContact CG2-CG2 4.29Å; I13-F31 HydrophobicContact CD1-CD1 4.27Å; I13-F31 HydrophobicContact CD1-CE1 4.21Å; I13-F31 HydrophobicContact CG2-CE1 4.44Å; I13-F56 VanDerWaalsContact O-CA 3.28Å; I13-F56 WeakPolarHBondContact O-CA 3.36Å; I13-V57 PolarHBondContact N-O 3Å; I13-V57 PolarHBondContact O-N 3.25Å; I13-M59 HydrophobicContact CD1-CG 3.66Å; I13-M59 HydrophobicContact CD1-SD 4.05Å; I13-M59 HydrophobicContact CG1-CG 4.42Å; I13-A65 HydrophobicContact CD1-CB 4.16Å; I13-A65 HydrophobicContact CG1-CB 4.13Å; I13-A68 HydrophobicContact CD1-CB 3.56Å; I13-V83 HydrophobicContact CG2-CB 4.26Å; I13-N84 CarbonylContact C-O 3.57Å; I13-N84 WeakPolarHBondContact CA-O 3.36Å; I13-N84 WeakPolarHBondContact CG2-O 3.2Å |
| 14 | F | 96.6 | Very high | 90.1 | Very high | 60 Ų | 60 | 67 Ų | 67 | 26% | 0.263 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 135.1 | 165.9 | 167.3 | -98.5 | 0 | 0 | 0 | 109.4 | Y54 F56 V83 N84 A86 | F14-Y54 AromaticContact CE2-CD2 3.94Å; F14-Y54 HydrophobicContact CE2-CD2 3.94Å; F14-Y54 HydrophobicContact CE2-CG 4.23Å; F14-F56 HydrophobicContact CB-CD1 4.36Å; F14-F56 HydrophobicContact CB-CE1 4.16Å; F14-F56 HydrophobicContact CD2-CD1 4.46Å; F14-F56 AromaticContact CD2-CE1 3.83Å; F14-F56 HydrophobicContact CD2-CE1 3.83Å; F14-F56 HydrophobicContact CD2-CZ 4.11Å; F14-V83 VanDerWaalsContact O-CA 3.3Å; F14-V83 WeakPolarHBondContact O-CA 3.49Å; F14-N84 PolarHBondContact N-O 2.87Å; F14-N84 PolarHBondContact O-N 2.86Å; F14-N84 VanDerWaalsContact O-N 3.08Å; F14-A86 HydrophobicContact CB-CB 4.31Å |
| 15 | V | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 110.8 | 176.8 | -169.3 | 0 | 0 | 0 | 0 | 108.7 | I13 L18 L27 F31 Y54 G55 V57 I76 A81 N82 V83 | I13-V15 HydrophobicContact CG2-CG2 4.29Å; V15-L18 HydrophobicContact CB-CD1 4.49Å; V15-L18 HydrophobicContact CG1-CD1 4.2Å; V15-L18 HydrophobicContact CG1-CD2 3.65Å; V15-L18 HydrophobicContact CG1-CG 4.02Å; V15-L27 HydrophobicContact CB-CD1 4.37Å; V15-L27 HydrophobicContact CG1-CD1 4.06Å; V15-L27 HydrophobicContact CG2-CD1 4.38Å; V15-F31 HydrophobicContact CG1-CE2 4.28Å; V15-F31 HydrophobicContact CG1-CZ 4.29Å; V15-F31 HydrophobicContact CG2-CE1 4.39Å; V15-F31 HydrophobicContact CG2-CE2 3.68Å; V15-F31 HydrophobicContact CG2-CZ 3.45Å; V15-F31 VanDerWaalsContact CG2-CZ 3.45Å; V15-Y54 CarbonylContact O-C 3.57Å; V15-Y54 WeakPolarHBondContact O-CA 3.01Å; V15-Y54 WeakPolarHBondContact O-CB 3.46Å; V15-G55 PolarHBondContact N-O 3.24Å; V15-G55 PolarHBondContact O-N 3.13Å; V15-V57 HydrophobicContact CG2-CG2 4.14Å; V15-I76 HydrophobicContact CG1-CD1 3.82Å; V15-A81 HydrophobicContact CG1-CB 4.4Å; V15-N82 CarbonylContact C-O 3.47Å; V15-N82 WeakPolarHBondContact CA-O 3.33Å; V15-V83 HydrophobicContact CG1-CG1 4.05Å; V15-V83 HydrophobicContact CG2-CG1 4.24Å |
| 16 | G | 96.1 | Very high | 93.3 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 164.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | L18 A81 N82 | G16-L18 VanDerWaalsContact C-N 3.3Å; G16-L18 PolarHBondContact O-N 3.17Å; G16-A81 CarbonylContact O-C 3.51Å; G16-A81 VanDerWaalsContact O-CA 3.22Å; G16-A81 WeakPolarHBondContact O-CA 3.48Å; G16-A81 WeakPolarHBondContact O-CB 3.33Å; G16-N82 PolarHBondContact N-O 3.31Å; G16-N82 PolarHBondContact O-N 2.84Å |
| 17 | G | 95.4 | Very high | 94.3 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 37% | 0.371 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 76 | 18.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G53 R79 | G17-G53 PolarHBondContact N-O 3.23Å; G17-R79 VanDerWaalsContact O-CD 3.3Å; G17-R79 WeakPolarHBondContact O-CD 3.5Å |
| 18 | L | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -66.8 | 145.1 | 177.5 | -64.1 | 176.4 | 0 | 0 | 0 | 110.9 | V15 G16 T22 L27 V42 G53 I76 A81 | V15-L18 HydrophobicContact CB-CD1 4.49Å; V15-L18 HydrophobicContact CG1-CD1 4.2Å; V15-L18 HydrophobicContact CG1-CD2 3.65Å; V15-L18 HydrophobicContact CG1-CG 4.02Å; G16-L18 VanDerWaalsContact C-N 3.3Å; G16-L18 PolarHBondContact O-N 3.17Å; L18-T22 HydrophobicContact CB-CG2 4.41Å; L18-T22 HydrophobicContact CD1-CG2 4.14Å; L18-T22 HydrophobicContact CD2-CG2 4.22Å; L18-T22 HydrophobicContact CG-CG2 4.49Å; L18-L27 HydrophobicContact CD1-CD1 3.97Å; L18-L27 HydrophobicContact CD1-CD2 4.4Å; L18-L27 HydrophobicContact CD2-CD1 4.09Å; L18-V42 HydrophobicContact CD1-CG2 4.42Å; L18-G53 PolarHBondContact N-O 3.08Å; L18-G53 WeakPolarHBondContact O-CA 3.3Å; L18-I76 HydrophobicContact CD2-CB 4.13Å; L18-I76 HydrophobicContact CD2-CD1 3.87Å; L18-I76 HydrophobicContact CD2-CG2 3.99Å; L18-A81 HydrophobicContact CD2-CB 4.31Å | ||
| 19 | P | 95.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 57.2 Ų | 57.2 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | trans | -54.3 | 147.5 | 163.1 | -25.5 | 35 | 0 | 0 | 0 | 112.2 | H21 T22 D77 R79 | P19-H21 WeakPolarHBondContact CB-CE1 3.25Å; P19-H21 PolarHBondContact O-N 3.49Å; P19-T22 VanDerWaalsContact CD-OG1 3.3Å; P19-T22 WeakPolarHBondContact CD-OG1 3.49Å; P19-T22 WeakPolarHBondContact O-CB 3.22Å; P19-T22 PolarHBondContact O-N 3.49Å; P19-T22 VanDerWaalsContact O-N 3.08Å; P19-T22 PolarHBondContact O-OG1 2.78Å; P19-D77 HydrophobicContact CG-CB 3.93Å; P19-R79 HydrophobicContact CG-CB 3.58Å; P19-R79 HydrophobicContact CG-CG 4.47Å | ||
| 20 | Y | 94.5 | Very high | 95.3 | Very high | 165 Ų | 165 | 58 Ų | 58 | 65% | 0.647 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.1 | -179.8 | -63.4 | -51.6 | 0 | 0 | 0 | 113.9 | S51 | Y20-S51 VanDerWaalsContact CD1-O 3.25Å; Y20-S51 WeakPolarHBondContact CD1-O 3.04Å; Y20-S51 WeakPolarHBondContact O-CB 3.21Å |
| 21 | H | 93.2 | Very high | 95.3 | Very high | 133 Ų | 133 | 52.6 Ų | 52.6 | 62% | 0.616 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -5.7 | 175.8 | 63.1 | -101.4 | 0 | 0 | 0 | 113.1 | P19 T23 | P19-H21 WeakPolarHBondContact CB-CE1 3.25Å; P19-H21 PolarHBondContact O-N 3.49Å; H21-T23 PolarHBondContact O-N 3.07Å |
| 22 | T | 94.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | trans | -64.6 | 132.7 | 176.3 | -63.7 | 0 | 0 | 0 | 0 | 109.6 | L18 P19 S26 L27 V42 D77 | L18-T22 HydrophobicContact CB-CG2 4.41Å; L18-T22 HydrophobicContact CD1-CG2 4.14Å; L18-T22 HydrophobicContact CD2-CG2 4.22Å; L18-T22 HydrophobicContact CG-CG2 4.49Å; P19-T22 VanDerWaalsContact CD-OG1 3.3Å; P19-T22 WeakPolarHBondContact CD-OG1 3.49Å; P19-T22 WeakPolarHBondContact O-CB 3.22Å; P19-T22 PolarHBondContact O-N 3.49Å; P19-T22 VanDerWaalsContact O-N 3.08Å; P19-T22 PolarHBondContact O-OG1 2.78Å; T22-S26 WeakPolarHBondContact CG2-OG 3.42Å; T22-L27 HydrophobicContact CG2-CB 4.36Å; T22-V42 HydrophobicContact CG2-CG2 4.34Å; T22-D77 WeakPolarHBondContact CB-OD2 3.35Å; T22-D77 WeakPolarHBondContact CG2-OD2 3.34Å; T22-D77 PolarHBondContact OG1-OD2 2.82Å | ||
| 23 | T | 94.9 | Very high | 95.3 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 41% | 0.411 | 30% | 0.302 | S | S | . | . | trans | -109.3 | 166.5 | -177.7 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | H21 S25 S26 L27 V42 | H21-T23 PolarHBondContact O-N 3.07Å; T23-S25 PolarHBondContact O-N 2.97Å; T23-S26 PolarHBondContact N-OG 3.33Å; T23-S26 PolarHBondContact O-N 3.19Å; T23-S26 PolarHBondContact O-OG 3.46Å; T23-S26 PolarHBondContact OG1-N 2.91Å; T23-S26 PolarHBondContact OG1-OG 3.33Å; T23-L27 VanDerWaalsContact O-CB 3.3Å; T23-L27 WeakPolarHBondContact O-CB 3.3Å; T23-L27 PolarHBondContact O-N 2.96Å; T23-V42 VanDerWaalsContact C-CG2 3.49Å | ||
| 24 | D | 95.3 | Very high | 95.2 | Very high | 96 Ų | 96 | 62 Ų | 62 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54 | -39.7 | 170.2 | 52.1 | -81.8 | 0 | 0 | 0 | 111.7 | R28 | D24-R28 VanDerWaalsContact O-CB 3.25Å; D24-R28 WeakPolarHBondContact O-CB 3.35Å; D24-R28 PolarHBondContact O-N 2.82Å |
| 25 | S | 94.7 | Very high | 95.1 | Very high | 77 Ų | 77 | 60.1 Ų | 60.1 | 54% | 0.538 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67 | -46.9 | 178.6 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | T23 L27 R28 K29 | T23-S25 PolarHBondContact O-N 2.97Å; S25-L27 VanDerWaalsContact C-N 3.34Å; S25-R28 PolarHBondContact O-N 3.22Å; S25-K29 WeakPolarHBondContact O-CB 3.3Å; S25-K29 PolarHBondContact O-N 3.35Å |
| 26 | S | 94.1 | Very high | 95 | Very high | 30 Ų | 30 | 67 Ų | 67 | 21% | 0.21 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 178.4 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | T22 T23 K29 Y30 D77 | T22-S26 WeakPolarHBondContact CG2-OG 3.42Å; T23-S26 PolarHBondContact N-OG 3.33Å; T23-S26 PolarHBondContact O-N 3.19Å; T23-S26 PolarHBondContact O-OG 3.46Å; T23-S26 PolarHBondContact OG1-N 2.91Å; T23-S26 PolarHBondContact OG1-OG 3.33Å; S26-K29 PolarHBondContact O-N 3.36Å; S26-Y30 PolarHBondContact O-N 3.35Å; S26-D77 PolarHBondContact OG-OD2 2.95Å; S26-D77 VanDerWaalsContact OG-OD2 3.07Å |
| 27 | L | 95.2 | Very high | 95 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.8 | -49.8 | 173 | -171 | 67.8 | 0 | 0 | 0 | 111 | V15 L18 T22 T23 S25 K29 Y30 F31 V42 V57 I76 | V15-L27 HydrophobicContact CB-CD1 4.37Å; V15-L27 HydrophobicContact CG1-CD1 4.06Å; V15-L27 HydrophobicContact CG2-CD1 4.38Å; L18-L27 HydrophobicContact CD1-CD1 3.97Å; L18-L27 HydrophobicContact CD1-CD2 4.4Å; L18-L27 HydrophobicContact CD2-CD1 4.09Å; T22-L27 HydrophobicContact CG2-CB 4.36Å; T23-L27 VanDerWaalsContact O-CB 3.3Å; T23-L27 WeakPolarHBondContact O-CB 3.3Å; T23-L27 PolarHBondContact O-N 2.96Å; S25-L27 VanDerWaalsContact C-N 3.34Å; L27-K29 VanDerWaalsContact C-N 3.27Å; L27-K29 PolarHBondContact O-N 2.91Å; L27-Y30 WeakPolarHBondContact O-CB 3.36Å; L27-Y30 PolarHBondContact O-N 2.93Å; L27-Y30 VanDerWaalsContact O-N 3.14Å; L27-F31 HydrophobicContact CD1-CD2 4.01Å; L27-F31 HydrophobicContact CD1-CE2 3.63Å; L27-F31 HydrophobicContact CG-CD2 4.25Å; L27-F31 HydrophobicContact CG-CE2 4.31Å; L27-F31 WeakPolarHBondContact O-CD2 3.43Å; L27-F31 PolarHBondContact O-N 3.21Å; L27-V42 HydrophobicContact CB-CG2 4.3Å; L27-V42 HydrophobicContact CD2-CG2 3.99Å; L27-V57 HydrophobicContact CD1-CG2 4.46Å; L27-V57 HydrophobicContact CD2-CG2 3.74Å; L27-V57 HydrophobicContact CG-CG2 3.84Å; L27-I76 HydrophobicContact CD1-CD1 4.36Å |
| 28 | R | 96.2 | Very high | 95 | Very high | 138 Ų | 138 | 70 Ų | 70 | 52% | 0.521 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.1 | -45 | 176.7 | -171.2 | 179.5 | -174.1 | 168.3 | 4.5 | 111.2 | D24 S25 Y30 F31 E32 I37 A40 | D24-R28 VanDerWaalsContact O-CB 3.25Å; D24-R28 WeakPolarHBondContact O-CB 3.35Å; D24-R28 PolarHBondContact O-N 2.82Å; S25-R28 PolarHBondContact O-N 3.22Å; R28-Y30 VanDerWaalsContact C-N 3.26Å; R28-Y30 PolarHBondContact O-N 3.31Å; R28-F31 PolarHBondContact O-N 3.06Å; R28-F31 VanDerWaalsContact O-N 3.1Å; R28-E32 PolarHBondContact O-N 3.05Å; R28-I37 HydrophobicContact CB-CD1 4.32Å; R28-I37 HydrophobicContact CG-CB 4.42Å; R28-I37 HydrophobicContact CG-CD1 3.59Å; R28-I37 HydrophobicContact CG-CG2 4.32Å; R28-I37 WeakPolarHBondContact O-CD1 3.43Å; R28-A40 HydrophobicContact CB-CB 3.86Å; R28-A40 HydrophobicContact CG-CB 4.31Å |
| 29 | K | 95.4 | Very high | 95 | Very high | 146 Ų | 146 | 74.9 Ų | 74.9 | 64% | 0.635 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.2 | -30 | -179.7 | -174.8 | 167.9 | -175 | 175.3 | 0 | 113.9 | S25 S26 L27 E32 | S25-K29 WeakPolarHBondContact O-CB 3.3Å; S25-K29 PolarHBondContact O-N 3.35Å; S26-K29 PolarHBondContact O-N 3.36Å; L27-K29 VanDerWaalsContact C-N 3.27Å; L27-K29 PolarHBondContact O-N 2.91Å; K29-E32 VanDerWaalsContact CA-OE1 3.25Å; K29-E32 WeakPolarHBondContact CA-OE1 3.27Å; K29-E32 WeakPolarHBondContact O-CG 3.47Å |
| 30 | Y | 94.7 | Very high | 95 | Very high | 67 Ų | 67 | 75.3 Ų | 75.3 | 26% | 0.263 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.5 | -42.4 | 172.6 | -176.1 | -94.3 | 0 | 0 | 0 | 111.6 | S26 L27 R28 V33 F34 P74 I76 | S26-Y30 PolarHBondContact O-N 3.35Å; L27-Y30 WeakPolarHBondContact O-CB 3.36Å; L27-Y30 PolarHBondContact O-N 2.93Å; L27-Y30 VanDerWaalsContact O-N 3.14Å; R28-Y30 VanDerWaalsContact C-N 3.26Å; R28-Y30 PolarHBondContact O-N 3.31Å; Y30-V33 VanDerWaalsContact O-CG2 3.28Å; Y30-V33 WeakPolarHBondContact O-CG2 3.43Å; Y30-F34 HydrophobicContact CD1-CE2 4.34Å; Y30-F34 AromaticContact CE1-CE2 3.89Å; Y30-F34 HydrophobicContact CE1-CE2 3.89Å; Y30-F34 HydrophobicContact CE1-CZ 4.36Å; Y30-P74 HydrophobicContact CE1-CB 4.02Å; Y30-P74 HydrophobicContact CE1-CG 4.35Å; Y30-P74 WeakPolarHBondContact OH-CB 3.19Å; Y30-I76 HydrophobicContact CD1-CD1 3.81Å; Y30-I76 HydrophobicContact CD1-CG1 3.9Å; Y30-I76 HydrophobicContact CD2-CG1 4.09Å; Y30-I76 HydrophobicContact CE1-CD1 4.01Å; Y30-I76 HydrophobicContact CE1-CG1 3.93Å; Y30-I76 HydrophobicContact CE2-CG1 4.12Å; Y30-I76 HydrophobicContact CG-CD1 4.26Å; Y30-I76 HydrophobicContact CG-CG1 3.99Å |
| 31 | F | 95.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 69.8 Ų | 69.8 | 0% | 0.004 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -85.1 | -17.8 | -173.3 | -78.1 | -89.5 | 0 | 0 | 0 | 114.5 | I13 V15 L27 R28 V33 F34 I37 V57 M59 A68 I76 V83 | I13-F31 HydrophobicContact CD1-CD1 4.27Å; I13-F31 HydrophobicContact CD1-CE1 4.21Å; I13-F31 HydrophobicContact CG2-CE1 4.44Å; V15-F31 HydrophobicContact CG1-CE2 4.28Å; V15-F31 HydrophobicContact CG1-CZ 4.29Å; V15-F31 HydrophobicContact CG2-CE1 4.39Å; V15-F31 HydrophobicContact CG2-CE2 3.68Å; V15-F31 HydrophobicContact CG2-CZ 3.45Å; V15-F31 VanDerWaalsContact CG2-CZ 3.45Å; L27-F31 HydrophobicContact CD1-CD2 4.01Å; L27-F31 HydrophobicContact CD1-CE2 3.63Å; L27-F31 HydrophobicContact CG-CD2 4.25Å; L27-F31 HydrophobicContact CG-CE2 4.31Å; L27-F31 WeakPolarHBondContact O-CD2 3.43Å; L27-F31 PolarHBondContact O-N 3.21Å; R28-F31 PolarHBondContact O-N 3.06Å; R28-F31 VanDerWaalsContact O-N 3.1Å; F31-V33 PolarHBondContact O-N 3.49Å; F31-V33 VanDerWaalsContact O-N 3.15Å; F31-F34 HydrophobicContact CB-CD2 4.48Å; F31-F34 AromaticContact CD1-CD2 3.97Å; F31-F34 HydrophobicContact CD1-CD2 3.97Å; F31-F34 HydrophobicContact CD1-CE2 4.22Å; F31-F34 WeakPolarHBondContact O-CD2 3.36Å; F31-F34 PolarHBondContact O-N 2.95Å; F31-I37 HydrophobicContact CB-CD1 3.66Å; F31-I37 HydrophobicContact CB-CG1 4.39Å; F31-V57 HydrophobicContact CB-CG1 4.03Å; F31-V57 HydrophobicContact CD1-CG1 4.49Å; F31-V57 HydrophobicContact CD2-CG2 3.76Å; F31-V57 HydrophobicContact CE2-CG2 4.03Å; F31-V57 HydrophobicContact CG-CB 4.44Å; F31-V57 HydrophobicContact CG-CG1 4.12Å; F31-V57 HydrophobicContact CG-CG2 4.11Å; F31-M59 HydrophobicContact CB-SD 4.49Å; F31-A68 HydrophobicContact CD1-CB 3.91Å; F31-A68 HydrophobicContact CE1-CB 3.96Å; F31-I76 HydrophobicContact CE2-CD1 4.01Å; F31-I76 HydrophobicContact CZ-CD1 4.41Å; F31-V83 HydrophobicContact CE1-CG1 4.34Å; F31-V83 HydrophobicContact CZ-CG1 3.78Å |
| 32 | E | 95.6 | Very high | 95.2 | Very high | 113 Ų | 113 | 64.4 Ų | 64.4 | 53% | 0.528 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -62.1 | -24.4 | -178.2 | 62.7 | 174.5 | 101 | 0 | 0 | 112.4 | R28 K29 F34 G35 I37 | R28-E32 PolarHBondContact O-N 3.05Å; K29-E32 VanDerWaalsContact CA-OE1 3.25Å; K29-E32 WeakPolarHBondContact CA-OE1 3.27Å; K29-E32 WeakPolarHBondContact O-CG 3.47Å; E32-F34 PolarHBondContact O-N 2.8Å; E32-G35 WeakPolarHBondContact CA-O 3.22Å; E32-G35 PolarHBondContact O-N 2.81Å; E32-G35 VanDerWaalsContact O-N 3.13Å; E32-I37 HydrophobicContact CB-CD1 4.16Å |
| 33 | V | 94.5 | Very high | 95.3 | Very high | 109 Ų | 109 | 66.4 Ų | 66.4 | 66% | 0.661 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -64.2 | -23.8 | 175.9 | -52.4 | 0 | 0 | 0 | 0 | 112.8 | Y30 F31 | Y30-V33 VanDerWaalsContact O-CG2 3.28Å; Y30-V33 WeakPolarHBondContact O-CG2 3.43Å; F31-V33 PolarHBondContact O-N 3.49Å; F31-V33 VanDerWaalsContact O-N 3.15Å |
| 34 | F | 94.4 | Very high | 95.2 | Very high | 45 Ų | 45 | 66.8 Ų | 66.8 | 20% | 0.197 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -90.6 | -9.7 | 178.5 | -54.5 | -70.4 | 0 | 0 | 0 | 112.8 | Y30 F31 E32 M59 A64 R67 A68 | Y30-F34 HydrophobicContact CD1-CE2 4.34Å; Y30-F34 AromaticContact CE1-CE2 3.89Å; Y30-F34 HydrophobicContact CE1-CE2 3.89Å; Y30-F34 HydrophobicContact CE1-CZ 4.36Å; F31-F34 HydrophobicContact CB-CD2 4.48Å; F31-F34 AromaticContact CD1-CD2 3.97Å; F31-F34 HydrophobicContact CD1-CD2 3.97Å; F31-F34 HydrophobicContact CD1-CE2 4.22Å; F31-F34 WeakPolarHBondContact O-CD2 3.36Å; F31-F34 PolarHBondContact O-N 2.95Å; E32-F34 PolarHBondContact O-N 2.8Å; F34-M59 HydrophobicContact CB-CE 4.24Å; F34-A64 WeakPolarHBondContact O-CA 3.5Å; F34-A64 WeakPolarHBondContact O-CB 3.36Å; F34-R67 HydrophobicContact CD1-CB 4.26Å; F34-R67 PolarHBondContact O-NE 2.98Å; F34-R67 PolarHBondContact O-NH2 3.48Å; F34-A68 HydrophobicContact CB-CB 4.15Å; F34-A68 HydrophobicContact CD1-CB 4.49Å; F34-A68 HydrophobicContact CD2-CB 3.82Å; F34-A68 HydrophobicContact CE2-CB 4.36Å; F34-A68 HydrophobicContact CG-CB 3.91Å |
| 35 | G | 94.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 65 Ų | 65 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 144.6 | -176.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | E32 | E32-G35 WeakPolarHBondContact CA-O 3.22Å; E32-G35 PolarHBondContact O-N 2.81Å; E32-G35 VanDerWaalsContact O-N 3.13Å |
| 36 | E | 96 | Very high | 94.9 | Very high | 145 Ų | 145 | 72.8 Ų | 72.8 | 68% | 0.678 | 35% | 0.35 | S | S | * | . | trans | -67.3 | 137.5 | 179.1 | -171.9 | 174.8 | 174.8 | 0 | 0 | 111.3 | A60 | E36-A60 HydrophobicContact CB-CB 3.92Å; E36-A60 HydrophobicContact CG-CB 4.16Å; E36-A60 PolarHBondContact O-N 2.99Å | ||
| 37 | I | 96.2 | Very high | 94.9 | Very high | 9 Ų | 9 | 80.2 Ų | 80.2 | 5% | 0.046 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.6 | -179.2 | -63.7 | 169.6 | 0 | 0 | 0 | 108.7 | R28 F31 E32 E39 A40 V57 M59 | R28-I37 HydrophobicContact CB-CD1 4.32Å; R28-I37 HydrophobicContact CG-CB 4.42Å; R28-I37 HydrophobicContact CG-CD1 3.59Å; R28-I37 HydrophobicContact CG-CG2 4.32Å; R28-I37 WeakPolarHBondContact O-CD1 3.43Å; F31-I37 HydrophobicContact CB-CD1 3.66Å; F31-I37 HydrophobicContact CB-CG1 4.39Å; E32-I37 HydrophobicContact CB-CD1 4.16Å; I37-E39 WeakPolarHBondContact CG2-O 3.13Å; I37-A40 HydrophobicContact CG2-CB 4.14Å; I37-V57 HydrophobicContact CD1-CG1 4.39Å; I37-V57 HydrophobicContact CG1-CG1 4.29Å; I37-V57 HydrophobicContact CG2-CG1 4.04Å; I37-M59 HydrophobicContact CG1-CE 4.03Å; I37-M59 HydrophobicContact CG1-SD 4.01Å |
| 38 | E | 95.1 | Very high | 94.8 | Very high | 95 Ų | 95 | 84.2 Ų | 84.2 | 44% | 0.444 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -44.4 | 170.3 | -71.3 | -166.7 | 116 | 0 | 0 | 111.6 | K6 T58 A60 | K6-E38 IonicContact NZ-OE1 2.67Å; K6-E38 PolarHBondContact NZ-OE1 3.34Å; K6-E38 IonicContact NZ-OE2 2.68Å; K6-E38 PolarHBondContact NZ-OE2 2.86Å; E38-T58 HydrophobicContact CB-CG2 4.36Å; E38-T58 PolarHBondContact N-O 3.19Å; E38-A60 HydrophobicContact CG-CB 4.06Å |
| 39 | E | 94.9 | Very high | 94.5 | Very high | 103 Ų | 103 | 80.1 Ų | 80.1 | 48% | 0.481 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 136 | -176.3 | -171.7 | 176.5 | 79.4 | 0 | 0 | 110.9 | I37 V41 V57 T58 | I37-E39 WeakPolarHBondContact CG2-O 3.13Å; E39-V41 HydrophobicContact CG-CG1 3.99Å; E39-V57 CarbonylContact O-C 3.58Å; E39-V57 WeakPolarHBondContact O-CA 3.41Å; E39-T58 PolarHBondContact N-O 3.33Å; E39-T58 PolarHBondContact O-N 2.75Å |
| 40 | A | 96 | Very high | 94.3 | Very high | 17 Ų | 17 | 80.4 Ų | 80.4 | 14% | 0.14 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 123.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | R28 I37 V57 | R28-A40 HydrophobicContact CB-CB 3.86Å; R28-A40 HydrophobicContact CG-CB 4.31Å; I37-A40 HydrophobicContact CG2-CB 4.14Å; A40-V57 HydrophobicContact CB-CG2 4.31Å |
| 41 | V | 95.9 | Very high | 94.3 | Very high | 49 Ų | 49 | 77.9 Ų | 77.9 | 30% | 0.297 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 125.4 | -175.3 | -68.8 | 0 | 0 | 0 | 0 | 110.8 | E39 I43 G55 F56 | E39-V41 HydrophobicContact CG-CG1 3.99Å; V41-I43 HydrophobicContact CG2-CD1 4.41Å; V41-G55 CarbonylContact O-C 3.58Å; V41-G55 WeakPolarHBondContact O-CA 3.34Å; V41-F56 HydrophobicContact CG2-CB 4.01Å; V41-F56 PolarHBondContact N-O 3.37Å; V41-F56 PolarHBondContact O-N 3.1Å |
| 42 | V | 96.3 | Very high | 94.2 | Very high | 20 Ų | 20 | 84.9 Ų | 84.9 | 12% | 0.121 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128.9 | 166.5 | 175.1 | 0 | 0 | 0 | 0 | 107.9 | L18 T22 T23 L27 T44 S51 | L18-V42 HydrophobicContact CD1-CG2 4.42Å; T22-V42 HydrophobicContact CG2-CG2 4.34Å; T23-V42 VanDerWaalsContact C-CG2 3.49Å; L27-V42 HydrophobicContact CB-CG2 4.3Å; L27-V42 HydrophobicContact CD2-CG2 3.99Å; V42-T44 PolarHBondContact O-N 2.93Å; V42-S51 WeakPolarHBondContact CG1-OG 3.25Å |
| 43 | I | 95.1 | Very high | 94.2 | Very high | 48 Ų | 48 | 79.9 Ų | 79.9 | 25% | 0.246 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 119.1 | 178.9 | -55.2 | -53.4 | 0 | 0 | 0 | 109 | V41 R52 Y54 F56 | V41-I43 HydrophobicContact CG2-CD1 4.41Å; I43-R52 WeakPolarHBondContact O-CB 3.33Å; I43-R52 PolarHBondContact O-N 2.92Å; I43-Y54 HydrophobicContact CB-CD2 4.15Å; I43-Y54 HydrophobicContact CB-CE1 4.31Å; I43-Y54 HydrophobicContact CB-CE2 3.66Å; I43-Y54 HydrophobicContact CG1-CD2 3.91Å; I43-Y54 HydrophobicContact CG1-CE2 3.44Å; I43-Y54 VanDerWaalsContact CG1-CE2 3.44Å; I43-Y54 HydrophobicContact CG2-CE1 4.42Å; I43-Y54 HydrophobicContact CG2-CE2 4.09Å; I43-Y54 WeakPolarHBondContact CG2-OH 3.09Å; I43-Y54 PolarHBondContact N-O 3.15Å; I43-F56 HydrophobicContact CD1-CD2 4.09Å; I43-F56 HydrophobicContact CD1-CE2 4.33Å; I43-F56 HydrophobicContact CG1-CD2 4.05Å; I43-F56 HydrophobicContact CG1-CE2 4.01Å |
| 44 | T | 94.1 | Very high | 94.3 | Very high | 74 Ų | 74 | 77.4 Ų | 77.4 | 45% | 0.454 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 155.3 | 174.9 | 56.1 | 0 | 0 | 0 | 0 | 110.8 | V42 K50 | V42-T44 PolarHBondContact O-N 2.93Å; T44-K50 CarbonylContact C-O 3.48Å; T44-K50 WeakPolarHBondContact CA-O 3.34Å |
| 45 | D | 92.3 | Very high | 94.4 | Very high | 58 Ų | 58 | 75.2 Ų | 75.2 | 31% | 0.31 | 38% | 0.375 | S | S | . | . | trans | -72.8 | 128.8 | 169.5 | 177 | -86 | 0 | 0 | 0 | 109.7 | Q47 T48 G49 K50 R52 | D45-Q47 VanDerWaalsContact C-N 3.29Å; D45-Q47 PolarHBondContact O-N 3.33Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.25Å; D45-Q47 PolarHBondContact OD1-N 2.83Å; D45-T48 WeakPolarHBondContact CB-OG1 3.28Å; D45-T48 PolarHBondContact OD1-N 3.14Å; D45-T48 PolarHBondContact OD1-OG1 2.83Å; D45-G49 WeakPolarHBondContact O-CA 3.48Å; D45-G49 PolarHBondContact O-N 2.87Å; D45-K50 PolarHBondContact N-O 2.8Å; D45-R52 HydrophobicContact CB-CG 4.42Å | ||
| 46 | R | 91.1 | Very high | 94.5 | Very high | 242 Ų | 242 | 76.7 Ų | 76.7 | 91% | 0.913 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -25.1 | -173.1 | -172.5 | 176.7 | 177.1 | -172.5 | 0 | 113.4 | ||
| 47 | Q | 93.5 | Very high | 94.5 | Very high | 185 Ų | 185 | 69.8 Ų | 69.8 | 86% | 0.864 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -42 | -178.8 | -65.2 | -175.9 | -7.6 | 0 | 0 | 111.4 | D45 | D45-Q47 VanDerWaalsContact C-N 3.29Å; D45-Q47 PolarHBondContact O-N 3.33Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.25Å; D45-Q47 PolarHBondContact OD1-N 2.83Å |
| 48 | T | 93 | Very high | 94.5 | Very high | 85 Ų | 85 | 69.8 Ų | 69.8 | 52% | 0.521 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -15.6 | -173 | 63.9 | 0 | 0 | 0 | 0 | 113.6 | D45 K50 | D45-T48 WeakPolarHBondContact CB-OG1 3.28Å; D45-T48 PolarHBondContact OD1-N 3.14Å; D45-T48 PolarHBondContact OD1-OG1 2.83Å; T48-K50 PolarHBondContact O-N 3.17Å; T48-K50 PolarHBondContact OG1-N 2.93Å |
| 49 | G | 89.9 | Confident | 94.5 | Very high | 52 Ų | 52 | 65.3 Ų | 65.3 | 54% | 0.536 | 32% | 0.323 | S | S | . | . | trans | 69.5 | 1.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D45 | D45-G49 WeakPolarHBondContact O-CA 3.48Å; D45-G49 PolarHBondContact O-N 2.87Å | ||
| 50 | K | 91.5 | Very high | 94.5 | Very high | 152 Ų | 152 | 61.6 Ų | 61.6 | 66% | 0.661 | 31% | 0.311 | S | S | * | . | trans | -80.4 | 144 | -174.9 | -65 | -175.3 | 178.6 | -175.7 | 0 | 111.4 | T44 D45 T48 R52 | T44-K50 CarbonylContact C-O 3.48Å; T44-K50 WeakPolarHBondContact CA-O 3.34Å; D45-K50 PolarHBondContact N-O 2.8Å; T48-K50 PolarHBondContact O-N 3.17Å; T48-K50 PolarHBondContact OG1-N 2.93Å; K50-R52 PolarHBondContact O-N 2.81Å | ||
| 51 | S | 94.4 | Very high | 94.5 | Very high | 14 Ų | 14 | 65.2 Ų | 65.2 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 138.2 | 173 | 176.4 | 0 | 0 | 0 | 0 | 111 | Y20 V42 G53 | Y20-S51 VanDerWaalsContact CD1-O 3.25Å; Y20-S51 WeakPolarHBondContact CD1-O 3.04Å; Y20-S51 WeakPolarHBondContact O-CB 3.21Å; V42-S51 WeakPolarHBondContact CG1-OG 3.25Å; S51-G53 PolarHBondContact O-N 3.06Å; S51-G53 PolarHBondContact OG-N 3.29Å |
| 52 | R | 94.8 | Very high | 94.4 | Very high | 147 Ų | 147 | 70.7 Ų | 70.7 | 56% | 0.555 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 3.3 | 172.1 | -60.6 | -173.4 | 68.2 | -177 | 0.6 | 112.6 | I43 D45 K50 Y54 | I43-R52 WeakPolarHBondContact O-CB 3.33Å; I43-R52 PolarHBondContact O-N 2.92Å; D45-R52 HydrophobicContact CB-CG 4.42Å; K50-R52 PolarHBondContact O-N 2.81Å; R52-Y54 VanDerWaalsContact C-N 3.35Å; R52-Y54 HydrophobicContact CB-CD1 3.66Å; R52-Y54 HydrophobicContact CB-CE1 3.37Å; R52-Y54 HydrophobicContact CG-CE1 4.25Å; R52-Y54 PolarHBondContact NH1-OH 3.06Å |
| 53 | G | 95 | Very high | 94.3 | Very high | 9 Ų | 9 | 74 Ų | 74 | 9% | 0.093 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.2 | 21.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G17 L18 S51 | G17-G53 PolarHBondContact N-O 3.23Å; L18-G53 PolarHBondContact N-O 3.08Å; L18-G53 WeakPolarHBondContact O-CA 3.3Å; S51-G53 PolarHBondContact O-N 3.06Å; S51-G53 PolarHBondContact OG-N 3.29Å |
| 54 | Y | 96.1 | Very high | 94.4 | Very high | 56 Ų | 56 | 71.8 Ų | 71.8 | 22% | 0.22 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 160.4 | 172.6 | 72.2 | -86 | 0 | 0 | 0 | 111.5 | F14 V15 I43 R52 F56 | F14-Y54 AromaticContact CE2-CD2 3.94Å; F14-Y54 HydrophobicContact CE2-CD2 3.94Å; F14-Y54 HydrophobicContact CE2-CG 4.23Å; V15-Y54 CarbonylContact O-C 3.57Å; V15-Y54 WeakPolarHBondContact O-CA 3.01Å; V15-Y54 WeakPolarHBondContact O-CB 3.46Å; I43-Y54 HydrophobicContact CB-CD2 4.15Å; I43-Y54 HydrophobicContact CB-CE1 4.31Å; I43-Y54 HydrophobicContact CB-CE2 3.66Å; I43-Y54 HydrophobicContact CG1-CD2 3.91Å; I43-Y54 HydrophobicContact CG1-CE2 3.44Å; I43-Y54 VanDerWaalsContact CG1-CE2 3.44Å; I43-Y54 HydrophobicContact CG2-CE1 4.42Å; I43-Y54 HydrophobicContact CG2-CE2 4.09Å; I43-Y54 WeakPolarHBondContact CG2-OH 3.09Å; I43-Y54 PolarHBondContact N-O 3.15Å; R52-Y54 VanDerWaalsContact C-N 3.35Å; R52-Y54 HydrophobicContact CB-CD1 3.66Å; R52-Y54 HydrophobicContact CB-CE1 3.37Å; R52-Y54 HydrophobicContact CG-CE1 4.25Å; R52-Y54 PolarHBondContact NH1-OH 3.06Å; Y54-F56 HydrophobicContact CD2-CE2 4.25Å; Y54-F56 HydrophobicContact CE2-CE2 4.01Å; Y54-F56 HydrophobicContact CE2-CZ 4.5Å |
| 55 | G | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 178.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V15 V41 | V15-G55 PolarHBondContact N-O 3.24Å; V15-G55 PolarHBondContact O-N 3.13Å; V41-G55 CarbonylContact O-C 3.58Å; V41-G55 WeakPolarHBondContact O-CA 3.34Å |
| 56 | F | 96.6 | Very high | 94.5 | Very high | 51 Ų | 51 | 70.7 Ų | 70.7 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 143.2 | 173.8 | -63.5 | -84.4 | 0 | 0 | 0 | 110 | I13 F14 V41 I43 Y54 A86 | I13-F56 VanDerWaalsContact O-CA 3.28Å; I13-F56 WeakPolarHBondContact O-CA 3.36Å; F14-F56 HydrophobicContact CB-CD1 4.36Å; F14-F56 HydrophobicContact CB-CE1 4.16Å; F14-F56 HydrophobicContact CD2-CD1 4.46Å; F14-F56 AromaticContact CD2-CE1 3.83Å; F14-F56 HydrophobicContact CD2-CE1 3.83Å; F14-F56 HydrophobicContact CD2-CZ 4.11Å; V41-F56 HydrophobicContact CG2-CB 4.01Å; V41-F56 PolarHBondContact N-O 3.37Å; V41-F56 PolarHBondContact O-N 3.1Å; I43-F56 HydrophobicContact CD1-CD2 4.09Å; I43-F56 HydrophobicContact CD1-CE2 4.33Å; I43-F56 HydrophobicContact CG1-CD2 4.05Å; I43-F56 HydrophobicContact CG1-CE2 4.01Å; Y54-F56 HydrophobicContact CD2-CE2 4.25Å; Y54-F56 HydrophobicContact CE2-CE2 4.01Å; Y54-F56 HydrophobicContact CE2-CZ 4.5Å; F56-A86 HydrophobicContact CD1-CB 4.13Å; F56-A86 HydrophobicContact CE1-CB 4.19Å |
| 57 | V | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 126.5 | 173.8 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | K12 I13 V15 L27 F31 I37 E39 A40 M59 | K12-V57 CarbonylContact C-O 3.43Å; K12-V57 WeakPolarHBondContact CA-O 3.49Å; I13-V57 PolarHBondContact N-O 3Å; I13-V57 PolarHBondContact O-N 3.25Å; V15-V57 HydrophobicContact CG2-CG2 4.14Å; L27-V57 HydrophobicContact CD1-CG2 4.46Å; L27-V57 HydrophobicContact CD2-CG2 3.74Å; L27-V57 HydrophobicContact CG-CG2 3.84Å; F31-V57 HydrophobicContact CB-CG1 4.03Å; F31-V57 HydrophobicContact CD1-CG1 4.49Å; F31-V57 HydrophobicContact CD2-CG2 3.76Å; F31-V57 HydrophobicContact CE2-CG2 4.03Å; F31-V57 HydrophobicContact CG-CB 4.44Å; F31-V57 HydrophobicContact CG-CG1 4.12Å; F31-V57 HydrophobicContact CG-CG2 4.11Å; I37-V57 HydrophobicContact CD1-CG1 4.39Å; I37-V57 HydrophobicContact CG1-CG1 4.29Å; I37-V57 HydrophobicContact CG2-CG1 4.04Å; E39-V57 CarbonylContact O-C 3.58Å; E39-V57 WeakPolarHBondContact O-CA 3.41Å; A40-V57 HydrophobicContact CB-CG2 4.31Å; V57-M59 HydrophobicContact CG1-SD 3.67Å |
| 58 | T | 96 | Very high | 94.8 | Very high | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 112.5 | 173.8 | -52.7 | 0 | 0 | 0 | 0 | 107.7 | T8 E38 E39 | T8-T58 HydrophobicContact CG2-CG2 3.8Å; E38-T58 HydrophobicContact CB-CG2 4.36Å; E38-T58 PolarHBondContact N-O 3.19Å; E39-T58 PolarHBondContact N-O 3.33Å; E39-T58 PolarHBondContact O-N 2.75Å |
| 59 | M | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 150.9 | 175.2 | -52.8 | -55.3 | -69 | 0 | 0 | 110.2 | T11 I13 F31 F34 I37 V57 D61 A64 A65 | T11-M59 WeakPolarHBondContact CB-O 3.49Å; T11-M59 PolarHBondContact O-N 3.13Å; I13-M59 HydrophobicContact CD1-CG 3.66Å; I13-M59 HydrophobicContact CD1-SD 4.05Å; I13-M59 HydrophobicContact CG1-CG 4.42Å; F31-M59 HydrophobicContact CB-SD 4.49Å; F34-M59 HydrophobicContact CB-CE 4.24Å; I37-M59 HydrophobicContact CG1-CE 4.03Å; I37-M59 HydrophobicContact CG1-SD 4.01Å; V57-M59 HydrophobicContact CG1-SD 3.67Å; M59-D61 VanDerWaalsContact C-N 3.3Å; M59-A64 HydrophobicContact CB-CB 4.07Å; M59-A64 HydrophobicContact CE-CB 3.71Å; M59-A64 HydrophobicContact CG-CB 4.33Å; M59-A65 HydrophobicContact CB-CB 4.2Å; M59-A65 HydrophobicContact CG-CB 3.87Å |
| 60 | A | 94.8 | Very high | 95 | Very high | 26 Ų | 26 | 60.2 Ų | 60.2 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -65.3 | -38 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E36 E38 | E36-A60 HydrophobicContact CB-CB 3.92Å; E36-A60 HydrophobicContact CG-CB 4.16Å; E36-A60 PolarHBondContact O-N 2.99Å; E38-A60 HydrophobicContact CG-CB 4.06Å |
| 61 | D | 94.4 | Very high | 95 | Very high | 92 Ų | 92 | 57 Ų | 57 | 49% | 0.492 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -115.7 | 144 | -176.3 | -64.3 | -71.1 | 0 | 0 | 0 | 113.1 | M59 S63 A64 A65 | M59-D61 VanDerWaalsContact C-N 3.3Å; D61-S63 VanDerWaalsContact C-N 3.32Å; D61-S63 PolarHBondContact O-N 2.97Å; D61-A64 HydrophobicContact CB-CB 4.17Å; D61-A64 WeakPolarHBondContact O-CB 3.48Å; D61-A64 PolarHBondContact O-N 2.74Å; D61-A65 PolarHBondContact O-N 3.25Å |
| 62 | R | 94.4 | Very high | 94.9 | Very high | 165 Ų | 165 | 59 Ų | 59 | 62% | 0.623 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.3 | -39.9 | 172.7 | -178.7 | 178.2 | 176.7 | -161.1 | -0.5 | 112.2 | T11 A64 A65 D66 | T11-R62 HydrophobicContact CG2-CB 4.33Å; R62-A64 VanDerWaalsContact C-N 3.26Å; R62-A64 PolarHBondContact O-N 2.96Å; R62-A65 PolarHBondContact O-N 3.47Å; R62-A65 VanDerWaalsContact O-N 3.14Å; R62-D66 PolarHBondContact O-N 2.76Å |
| 63 | S | 94.9 | Very high | 94.9 | Very high | 89 Ų | 89 | 55 Ų | 55 | 62% | 0.622 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.2 | -32.9 | 179 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | D61 R67 | D61-S63 VanDerWaalsContact C-N 3.32Å; D61-S63 PolarHBondContact O-N 2.97Å; S63-R67 WeakPolarHBondContact O-CG 3.47Å; S63-R67 PolarHBondContact O-N 3.29Å; S63-R67 VanDerWaalsContact O-N 3.11Å |
| 64 | A | 95.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F34 M59 D61 R62 R67 A68 | F34-A64 WeakPolarHBondContact O-CA 3.5Å; F34-A64 WeakPolarHBondContact O-CB 3.36Å; M59-A64 HydrophobicContact CB-CB 4.07Å; M59-A64 HydrophobicContact CE-CB 3.71Å; M59-A64 HydrophobicContact CG-CB 4.33Å; D61-A64 HydrophobicContact CB-CB 4.17Å; D61-A64 WeakPolarHBondContact O-CB 3.48Å; D61-A64 PolarHBondContact O-N 2.74Å; R62-A64 VanDerWaalsContact C-N 3.26Å; R62-A64 PolarHBondContact O-N 2.96Å; A64-R67 PolarHBondContact O-N 3.13Å; A64-A68 WeakPolarHBondContact O-CB 3.28Å; A64-A68 PolarHBondContact O-N 2.88Å |
| 65 | A | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -39.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y10 I13 M59 D61 R62 A68 C69 L85 | Y10-A65 WeakPolarHBondContact O-CB 3.43Å; I13-A65 HydrophobicContact CD1-CB 4.16Å; I13-A65 HydrophobicContact CG1-CB 4.13Å; M59-A65 HydrophobicContact CB-CB 4.2Å; M59-A65 HydrophobicContact CG-CB 3.87Å; D61-A65 PolarHBondContact O-N 3.25Å; R62-A65 PolarHBondContact O-N 3.47Å; R62-A65 VanDerWaalsContact O-N 3.14Å; A65-A68 PolarHBondContact O-N 2.89Å; A65-C69 WeakPolarHBondContact O-CB 3.23Å; A65-C69 PolarHBondContact O-N 2.65Å; A65-C69 PolarHBondContact O-SG 3.08Å; A65-L85 HydrophobicContact CB-CD2 4.4Å |
| 66 | D | 94.4 | Very high | 94.7 | Very high | 110 Ų | 110 | 57 Ų | 57 | 59% | 0.588 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.1 | -46.9 | 174.8 | -172.7 | -97.2 | 0 | 0 | 0 | 111.7 | R62 A68 C69 K70 | R62-D66 PolarHBondContact O-N 2.76Å; D66-A68 VanDerWaalsContact C-N 3.32Å; D66-A68 PolarHBondContact O-N 3.35Å; D66-C69 CarbonylContact O-C 3.56Å; D66-C69 PolarHBondContact O-N 2.98Å; D66-C69 VanDerWaalsContact O-N 3.13Å; D66-K70 PolarHBondContact O-N 3.01Å |
| 67 | R | 95.4 | Very high | 94.4 | Very high | 135 Ų | 135 | 58.2 Ų | 58.2 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 175.2 | -73.7 | -171.4 | -64.7 | -178.3 | -5.6 | 112.4 | F34 S63 A64 C69 K70 | F34-R67 HydrophobicContact CD1-CB 4.26Å; F34-R67 PolarHBondContact O-NE 2.98Å; F34-R67 PolarHBondContact O-NH2 3.48Å; S63-R67 WeakPolarHBondContact O-CG 3.47Å; S63-R67 PolarHBondContact O-N 3.29Å; S63-R67 VanDerWaalsContact O-N 3.11Å; A64-R67 PolarHBondContact O-N 3.13Å; R67-C69 VanDerWaalsContact C-N 3.32Å; R67-K70 VanDerWaalsContact O-CB 3.23Å; R67-K70 WeakPolarHBondContact O-CB 3.49Å; R67-K70 PolarHBondContact O-N 2.8Å |
| 68 | A | 94.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 61.7 Ų | 61.7 | 3% | 0.033 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.6 | -31.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I13 F31 F34 A64 A65 D66 K70 V83 | I13-A68 HydrophobicContact CD1-CB 3.56Å; F31-A68 HydrophobicContact CD1-CB 3.91Å; F31-A68 HydrophobicContact CE1-CB 3.96Å; F34-A68 HydrophobicContact CB-CB 4.15Å; F34-A68 HydrophobicContact CD1-CB 4.49Å; F34-A68 HydrophobicContact CD2-CB 3.82Å; F34-A68 HydrophobicContact CE2-CB 4.36Å; F34-A68 HydrophobicContact CG-CB 3.91Å; A64-A68 WeakPolarHBondContact O-CB 3.28Å; A64-A68 PolarHBondContact O-N 2.88Å; A65-A68 PolarHBondContact O-N 2.89Å; D66-A68 VanDerWaalsContact C-N 3.32Å; D66-A68 PolarHBondContact O-N 3.35Å; A68-K70 VanDerWaalsContact C-N 3.34Å; A68-V83 WeakPolarHBondContact O-CG2 3.45Å |
| 69 | C | 94.1 | Very high | 94.2 | Very high | 29 Ų | 29 | 67 Ų | 67 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -84.1 | -6.3 | 175.2 | -63.7 | 0 | 0 | 0 | 0 | 113.7 | A65 D66 R67 D71 | A65-C69 WeakPolarHBondContact O-CB 3.23Å; A65-C69 PolarHBondContact O-N 2.65Å; A65-C69 PolarHBondContact O-SG 3.08Å; D66-C69 CarbonylContact O-C 3.56Å; D66-C69 PolarHBondContact O-N 2.98Å; D66-C69 VanDerWaalsContact O-N 3.13Å; R67-C69 VanDerWaalsContact C-N 3.32Å; C69-D71 VanDerWaalsContact C-N 3.33Å; C69-D71 PolarHBondContact O-N 3.37Å |
| 70 | K | 93.9 | Very high | 94.1 | Very high | 175 Ų | 175 | 73.4 Ų | 73.4 | 76% | 0.761 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -64.9 | -36.9 | -178.4 | -170.6 | 174.6 | -179.1 | 179.2 | 0 | 112.6 | D66 R67 A68 P72 | D66-K70 PolarHBondContact O-N 3.01Å; R67-K70 VanDerWaalsContact O-CB 3.23Å; R67-K70 WeakPolarHBondContact O-CB 3.49Å; R67-K70 PolarHBondContact O-N 2.8Å; A68-K70 VanDerWaalsContact C-N 3.34Å; K70-P72 WeakPolarHBondContact O-CD 3.41Å |
| 71 | D | 91.9 | Very high | 94.2 | Very high | 86 Ų | 86 | 72.3 Ų | 72.3 | 46% | 0.46 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -99.9 | 102.6 | 166.1 | 179.6 | 7.8 | 0 | 0 | 0 | 108.4 | C69 N73 P74 V83 | C69-D71 VanDerWaalsContact C-N 3.33Å; C69-D71 PolarHBondContact O-N 3.37Å; D71-N73 PolarHBondContact O-N 3.11Å; D71-N73 PolarHBondContact OD1-N 3.36Å; D71-P74 WeakPolarHBondContact O-CD 3.45Å; D71-V83 WeakPolarHBondContact O-CG2 2.95Å |
| 72 | P | 91.9 | Very high | 94.3 | Very high | 56 Ų | 56 | 70.5 Ų | 70.5 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -70.7 | -14.9 | -177.8 | 28.9 | -35.3 | 0 | 0 | 0 | 113 | K70 P74 N82 V83 | K70-P72 WeakPolarHBondContact O-CD 3.41Å; P72-P74 VanDerWaalsContact C-CD 3.47Å; P72-N82 WeakPolarHBondContact O-CA 3.3Å; P72-V83 PolarHBondContact O-N 3.4Å |
| 73 | N | 95.9 | Very high | 94.4 | Very high | 63 Ų | 63 | 62.6 Ų | 62.6 | 34% | 0.337 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -131.3 | 61 | -175.5 | -56.9 | 139.2 | 0 | 0 | 0 | 114.9 | D71 K80 A81 N82 | D71-N73 PolarHBondContact O-N 3.11Å; D71-N73 PolarHBondContact OD1-N 3.36Å; N73-K80 HydrophobicContact CB-CD 4.46Å; N73-K80 HydrophobicContact CB-CG 4.3Å; N73-A81 CarbonylContact C-O 3.44Å; N73-A81 VanDerWaalsContact CA-O 3.27Å; N73-A81 WeakPolarHBondContact CA-O 3.19Å; N73-N82 PolarHBondContact ND2-OD1 2.93Å |
| 74 | P | 94.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.032 | 32% | 0.318 | C | S | . | . | trans | -68.9 | 157.9 | -179.3 | 27.5 | -32.7 | 0 | 0 | 0 | 112.5 | Y30 D71 P72 I76 A81 V83 | Y30-P74 HydrophobicContact CE1-CB 4.02Å; Y30-P74 HydrophobicContact CE1-CG 4.35Å; Y30-P74 WeakPolarHBondContact OH-CB 3.19Å; D71-P74 WeakPolarHBondContact O-CD 3.45Å; P72-P74 VanDerWaalsContact C-CD 3.47Å; P74-I76 HydrophobicContact CB-CG1 4.5Å; P74-I76 HydrophobicContact CG-CD1 4.38Å; P74-I76 HydrophobicContact CG-CG1 4.46Å; P74-A81 HydrophobicContact CG-CB 4.45Å; P74-A81 PolarHBondContact O-N 3.22Å; P74-V83 HydrophobicContact CG-CG1 3.6Å; P74-V83 HydrophobicContact CG-CG2 4.14Å | ||
| 75 | I | 94.8 | Very high | 94.4 | Very high | 99 Ų | 99 | 63 Ų | 63 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 116.3 | 168.8 | -52.3 | -54.5 | 0 | 0 | 0 | 109 | R79 K80 | I75-R79 WeakPolarHBondContact CA-O 3.42Å; I75-K80 HydrophobicContact CD1-CB 3.74Å; I75-K80 HydrophobicContact CD1-CG 4.09Å |
| 76 | I | 93.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.6 | 177.9 | -55.9 | 178.4 | 0 | 0 | 0 | 108.1 | V15 L18 L27 Y30 F31 P74 G78 R79 A81 | V15-I76 HydrophobicContact CG1-CD1 3.82Å; L18-I76 HydrophobicContact CD2-CB 4.13Å; L18-I76 HydrophobicContact CD2-CD1 3.87Å; L18-I76 HydrophobicContact CD2-CG2 3.99Å; L27-I76 HydrophobicContact CD1-CD1 4.36Å; Y30-I76 HydrophobicContact CD1-CD1 3.81Å; Y30-I76 HydrophobicContact CD1-CG1 3.9Å; Y30-I76 HydrophobicContact CD2-CG1 4.09Å; Y30-I76 HydrophobicContact CE1-CD1 4.01Å; Y30-I76 HydrophobicContact CE1-CG1 3.93Å; Y30-I76 HydrophobicContact CE2-CG1 4.12Å; Y30-I76 HydrophobicContact CG-CD1 4.26Å; Y30-I76 HydrophobicContact CG-CG1 3.99Å; F31-I76 HydrophobicContact CE2-CD1 4.01Å; F31-I76 HydrophobicContact CZ-CD1 4.41Å; P74-I76 HydrophobicContact CB-CG1 4.5Å; P74-I76 HydrophobicContact CG-CD1 4.38Å; P74-I76 HydrophobicContact CG-CG1 4.46Å; I76-G78 PolarHBondContact O-N 3.01Å; I76-G78 VanDerWaalsContact O-N 3.11Å; I76-R79 PolarHBondContact N-O 3.14Å; I76-R79 PolarHBondContact O-N 3.01Å; I76-A81 HydrophobicContact CB-CB 4.42Å; I76-A81 HydrophobicContact CD1-CB 3.86Å; I76-A81 HydrophobicContact CG1-CB 4.08Å |
| 77 | D | 90.6 | Very high | 94.2 | Very high | 76 Ų | 76 | 63.5 Ų | 63.5 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 37 | -178.8 | -67.4 | -35.2 | 0 | 0 | 0 | 112.8 | P19 T22 S26 R79 | P19-D77 HydrophobicContact CG-CB 3.93Å; T22-D77 WeakPolarHBondContact CB-OD2 3.35Å; T22-D77 WeakPolarHBondContact CG2-OD2 3.34Å; T22-D77 PolarHBondContact OG1-OD2 2.82Å; S26-D77 PolarHBondContact OG-OD2 2.95Å; S26-D77 VanDerWaalsContact OG-OD2 3.07Å; D77-R79 VanDerWaalsContact C-N 3.34Å; D77-R79 PolarHBondContact O-N 3.14Å |
| 78 | G | 92.7 | Very high | 94 | Very high | 74 Ų | 74 | 62.3 Ų | 62.3 | 76% | 0.763 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 7.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | I76 | I76-G78 PolarHBondContact O-N 3.01Å; I76-G78 VanDerWaalsContact O-N 3.11Å |
| 79 | R | 94 | Very high | 93.5 | Very high | 120 Ų | 120 | 65 Ų | 65 | 45% | 0.453 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 141.8 | 175.7 | -170.7 | 174.8 | -170.8 | 176.4 | 8.3 | 111.6 | G17 P19 I75 I76 D77 A81 | G17-R79 VanDerWaalsContact O-CD 3.3Å; G17-R79 WeakPolarHBondContact O-CD 3.5Å; P19-R79 HydrophobicContact CG-CB 3.58Å; P19-R79 HydrophobicContact CG-CG 4.47Å; I75-R79 WeakPolarHBondContact CA-O 3.42Å; I76-R79 PolarHBondContact N-O 3.14Å; I76-R79 PolarHBondContact O-N 3.01Å; D77-R79 VanDerWaalsContact C-N 3.34Å; D77-R79 PolarHBondContact O-N 3.14Å; R79-A81 PolarHBondContact O-N 3.07Å |
| 80 | K | 96.3 | Very high | 92.8 | Very high | 134 Ų | 134 | 66.8 Ų | 66.8 | 58% | 0.583 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 114.8 | 172.9 | -170.8 | 176.6 | -177.9 | 178.7 | 0 | 110.1 | N73 I75 | N73-K80 HydrophobicContact CB-CD 4.46Å; N73-K80 HydrophobicContact CB-CG 4.3Å; I75-K80 HydrophobicContact CD1-CB 3.74Å; I75-K80 HydrophobicContact CD1-CG 4.09Å |
| 81 | A | 96.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 3% | 0.025 | 37% | 0.372 | C | S | . | . | trans | -97.4 | 171.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V15 G16 L18 N73 P74 I76 R79 | V15-A81 HydrophobicContact CG1-CB 4.4Å; G16-A81 CarbonylContact O-C 3.51Å; G16-A81 VanDerWaalsContact O-CA 3.22Å; G16-A81 WeakPolarHBondContact O-CA 3.48Å; G16-A81 WeakPolarHBondContact O-CB 3.33Å; L18-A81 HydrophobicContact CD2-CB 4.31Å; N73-A81 CarbonylContact C-O 3.44Å; N73-A81 VanDerWaalsContact CA-O 3.27Å; N73-A81 WeakPolarHBondContact CA-O 3.19Å; P74-A81 HydrophobicContact CG-CB 4.45Å; P74-A81 PolarHBondContact O-N 3.22Å; I76-A81 HydrophobicContact CB-CB 4.42Å; I76-A81 HydrophobicContact CD1-CB 3.86Å; I76-A81 HydrophobicContact CG1-CB 4.08Å; R79-A81 PolarHBondContact O-N 3.07Å | ||
| 82 | N | 95.7 | Very high | 90 | Very high | 54 Ų | 54 | 68.7 Ų | 68.7 | 29% | 0.289 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124.9 | 172.7 | -178 | 85.2 | 0 | 0 | 0 | 109.6 | V15 G16 P72 N73 N84 | V15-N82 CarbonylContact C-O 3.47Å; V15-N82 WeakPolarHBondContact CA-O 3.33Å; G16-N82 PolarHBondContact N-O 3.31Å; G16-N82 PolarHBondContact O-N 2.84Å; P72-N82 WeakPolarHBondContact O-CA 3.3Å; N73-N82 PolarHBondContact ND2-OD1 2.93Å; N82-N84 PolarHBondContact ND2-ND2 3.28Å |
| 83 | V | 96.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.3 | 179.7 | -59.4 | 0 | 0 | 0 | 0 | 110.5 | I13 F14 V15 F31 A68 D71 P72 P74 | I13-V83 HydrophobicContact CG2-CB 4.26Å; F14-V83 VanDerWaalsContact O-CA 3.3Å; F14-V83 WeakPolarHBondContact O-CA 3.49Å; V15-V83 HydrophobicContact CG1-CG1 4.05Å; V15-V83 HydrophobicContact CG2-CG1 4.24Å; F31-V83 HydrophobicContact CE1-CG1 4.34Å; F31-V83 HydrophobicContact CZ-CG1 3.78Å; A68-V83 WeakPolarHBondContact O-CG2 3.45Å; D71-V83 WeakPolarHBondContact O-CG2 2.95Å; P72-V83 PolarHBondContact O-N 3.4Å; P74-V83 HydrophobicContact CG-CG1 3.6Å; P74-V83 HydrophobicContact CG-CG2 4.14Å |
| 84 | N | 95.5 | Very high | 85.9 | Confident | 65 Ų | 65 | 80.2 Ų | 80.2 | 35% | 0.348 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 158.5 | 177.3 | -79.6 | -43.3 | 0 | 0 | 0 | 109.9 | I13 F14 N82 A86 L88 | I13-N84 CarbonylContact C-O 3.57Å; I13-N84 WeakPolarHBondContact CA-O 3.36Å; I13-N84 WeakPolarHBondContact CG2-O 3.2Å; F14-N84 PolarHBondContact N-O 2.87Å; F14-N84 PolarHBondContact O-N 2.86Å; F14-N84 VanDerWaalsContact O-N 3.08Å; N82-N84 PolarHBondContact ND2-ND2 3.28Å; N84-A86 PolarHBondContact O-N 2.73Å; N84-L88 HydrophobicContact CB-CD1 4.45Å |
| 85 | L | 95.2 | Very high | 83.4 | Confident | 33 Ų | 33 | 88.2 Ų | 88.2 | 17% | 0.173 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 129.3 | 168.2 | -66.1 | 174.5 | 0 | 0 | 0 | 109.7 | A65 Y87 L88 | A65-L85 HydrophobicContact CB-CD2 4.4Å; L85-Y87 HydrophobicContact CB-CD1 3.59Å; L85-Y87 HydrophobicContact CB-CE1 3.44Å; L85-Y87 VanDerWaalsContact CB-CE1 3.44Å; L85-Y87 HydrophobicContact CD1-CD1 4.42Å; L85-Y87 HydrophobicContact CD1-CE1 3.58Å; L85-Y87 HydrophobicContact CG-CE1 4.12Å; L85-Y87 PolarHBondContact O-N 2.68Å; L85-Y87 VanDerWaalsContact O-N 3.14Å; L85-L88 HydrophobicContact CB-CD1 4.16Å; L85-L88 HydrophobicContact CB-CG 4.33Å; L85-L88 WeakPolarHBondContact O-CB 3.1Å; L85-L88 PolarHBondContact O-N 2.67Å |
| 86 | A | 93.6 | Very high | 81.2 | Confident | 11 Ų | 11 | 91.4 Ų | 91.4 | 9% | 0.091 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62.5 | -29 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K12 F14 F56 N84 L88 G89 A90 | K12-A86 HydrophobicContact CB-CB 4.05Å; K12-A86 HydrophobicContact CD-CB 4.21Å; K12-A86 HydrophobicContact CG-CB 3.73Å; K12-A86 WeakPolarHBondContact O-CB 3.5Å; K12-A86 PolarHBondContact O-N 3.37Å; F14-A86 HydrophobicContact CB-CB 4.31Å; F56-A86 HydrophobicContact CD1-CB 4.13Å; F56-A86 HydrophobicContact CE1-CB 4.19Å; N84-A86 PolarHBondContact O-N 2.73Å; A86-L88 PolarHBondContact O-N 2.99Å; A86-G89 PolarHBondContact O-N 2.87Å; A86-A90 WeakPolarHBondContact O-CB 3.29Å; A86-A90 PolarHBondContact O-N 3.21Å |
| 87 | Y | 92.4 | Very high | 78.8 | Confident | 110 Ų | 110 | 97.2 Ų | 97.2 | 43% | 0.431 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -25.8 | 177.4 | 81.5 | -91 | 0 | 0 | 0 | 112.9 | T9 Y10 L85 G89 | T9-Y87 HydrophobicContact CG2-CD1 4.28Å; T9-Y87 HydrophobicContact CG2-CG 4.15Å; T9-Y87 VanDerWaalsContact O-CD1 3.29Å; T9-Y87 WeakPolarHBondContact O-CD1 3.31Å; Y10-Y87 HydrophobicContact CD1-CE1 4.45Å; L85-Y87 HydrophobicContact CB-CD1 3.59Å; L85-Y87 HydrophobicContact CB-CE1 3.44Å; L85-Y87 VanDerWaalsContact CB-CE1 3.44Å; L85-Y87 HydrophobicContact CD1-CD1 4.42Å; L85-Y87 HydrophobicContact CD1-CE1 3.58Å; L85-Y87 HydrophobicContact CG-CE1 4.12Å; L85-Y87 PolarHBondContact O-N 2.68Å; L85-Y87 VanDerWaalsContact O-N 3.14Å; Y87-G89 VanDerWaalsContact C-N 3.34Å; Y87-G89 PolarHBondContact O-N 3.37Å |
| 88 | L | 90.8 | Very high | 76.6 | Confident | 109 Ų | 109 | 96.2 Ų | 96.2 | 57% | 0.571 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.4 | -33.4 | 180 | -64.5 | 171.6 | 0 | 0 | 0 | 112.5 | N84 L85 A86 | N84-L88 HydrophobicContact CB-CD1 4.45Å; L85-L88 HydrophobicContact CB-CD1 4.16Å; L85-L88 HydrophobicContact CB-CG 4.33Å; L85-L88 WeakPolarHBondContact O-CB 3.1Å; L85-L88 PolarHBondContact O-N 2.67Å; A86-L88 PolarHBondContact O-N 2.99Å |
| 89 | G | 83.9 | Confident | 74.6 | Confident | 61 Ų | 61 | 101.3 Ų | 101.3 | 63% | 0.629 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -106.1 | -1.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | A86 Y87 K91 | A86-G89 PolarHBondContact O-N 2.87Å; Y87-G89 VanDerWaalsContact C-N 3.34Å; Y87-G89 PolarHBondContact O-N 3.37Å; G89-K91 PolarHBondContact O-N 3.23Å |
| 90 | A | 79.4 | Confident | 72.4 | Confident | 67 Ų | 67 | 102 Ų | 102 | 55% | 0.554 | 55% | 0.548 | S | S | * | . | trans | -66.1 | 105.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | A86 | A86-A90 WeakPolarHBondContact O-CB 3.29Å; A86-A90 PolarHBondContact O-N 3.21Å | ||
| 91 | K | 68.6 | Low | 70 | Confident | 183 Ų | 183 | 104.6 Ų | 104.6 | 80% | 0.796 | 56% | 0.56 | S | S | * | * | trans | -50.9 | 137.4 | 161.8 | -65 | -176.2 | 176.1 | -170 | 0 | 107.1 | G89 R93 | G89-K91 PolarHBondContact O-N 3.23Å; K91-R93 PolarHBondContact O-N 3.2Å | ||
| 92 | P | 59.3 | Low | 67.8 | Low | 117 Ų | 117 | 107.9 Ų | 107.9 | 76% | 0.76 | 59% | 0.594 | S | S | * | * | trans | -51.3 | 116.6 | 171.8 | 21.3 | -30.7 | 0 | 0 | 0 | 106.2 | V94 | P92-V94 PolarHBondContact O-N 3.42Š| ||
| 93 | R | 52 | Low | 65.7 | Low | 236 Ų | 236 | 111.6 Ų | 111.6 | 89% | 0.891 | 62% | 0.619 | S | S | * | * | trans | -65.5 | 86.8 | 172 | -88.1 | -177.9 | 173.4 | 173.7 | -3.6 | 105.1 | K91 M95 | K91-R93 PolarHBondContact O-N 3.2Å; R93-M95 PolarHBondContact O-N 3.42Å | ||
| 94 | V | 48.4 | Very low | 63.3 | Low | 125 Ų | 125 | 116.7 Ų | 116.7 | 76% | 0.758 | 65% | 0.652 | S | S | * | * | trans | -58.7 | 96.8 | 147.6 | -94.2 | 0 | 0 | 0 | 0 | 103.7 | P92 Q96 | P92-V94 PolarHBondContact O-N 3.42Å; V94-Q96 PolarHBondContact O-N 3.06Å | ||
| 95 | M | 42.9 | Very low | 61.1 | Low | 173 Ų | 173 | 121.5 Ų | 121.5 | 85% | 0.852 | 67% | 0.672 | S | S | * | * | trans | -53.6 | 97.7 | 168.6 | -178.6 | 150.4 | 82.2 | 0 | 0 | 104.9 | R93 P97 | R93-M95 PolarHBondContact O-N 3.42Å; M95-P97 WeakPolarHBondContact O-CD 3.13Å | ||
| 96 | Q | 49.1 | Very low | 59.3 | Low | 166 Ų | 166 | 127.3 Ų | 127.3 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | -60.3 | 113.1 | 176.2 | -77.9 | -167.8 | -11.1 | 0 | 0 | 105.7 | V94 G98 | V94-Q96 PolarHBondContact O-N 3.06Å; Q96-G98 PolarHBondContact O-N 3.25Å; Q96-G98 VanDerWaalsContact O-N 3.13Å | ||
| 97 | P | 41.3 | Very low | 57.5 | Low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | trans | -72.3 | 111.8 | 173 | 27.7 | -22.5 | 0 | 0 | 0 | 106.1 | M95 | M95-P97 WeakPolarHBondContact O-CD 3.13Š| ||
| 98 | G | 45.7 | Very low | 55.5 | Low | 55 Ų | 55 | 134.8 Ų | 134.8 | 57% | 0.567 | 75% | 0.749 | S | S | * | * | trans | 78.3 | 111.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q96 T100 | Q96-G98 PolarHBondContact O-N 3.25Å; Q96-G98 VanDerWaalsContact O-N 3.13Å; G98-T100 PolarHBondContact O-N 3.23Å | ||
| 99 | F | 50.7 | Low | 53.8 | Low | 181 Ų | 181 | 133.8 Ų | 133.8 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -54.9 | 102.2 | 139.1 | -80.3 | -102.5 | 0 | 0 | 0 | 108.2 | F101 | F99-F101 HydrophobicContact CB-CD2 4.45Å; F99-F101 HydrophobicContact CB-CE2 4.33Å | ||
| 100 | T | 47.4 | Very low | 52.3 | Low | 134 Ų | 134 | 139.7 Ų | 139.7 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -89.7 | 107.8 | 159.9 | 57.8 | 0 | 0 | 0 | 0 | 107.8 | G98 | G98-T100 PolarHBondContact O-N 3.23Š| ||
| 101 | F | 46.6 | Very low | 51.3 | Low | 189 Ų | 189 | 142.8 Ų | 142.8 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | -63.7 | 132.5 | 167.3 | -81.8 | -104.3 | 0 | 0 | 0 | 109.5 | F99 | F99-F101 HydrophobicContact CB-CD2 4.45Å; F99-F101 HydrophobicContact CB-CE2 4.33Å | ||
| 102 | G | 48.8 | Very low | 50.4 | Low | 72 Ų | 72 | 142.2 Ų | 142.2 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | 36.1 | 113.4 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 103 | V | 52.2 | Low | 50 | Low | 133 Ų | 133 | 145.6 Ų | 145.6 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -139 | 114.9 | 135 | -161.6 | 0 | 0 | 0 | 0 | 107.7 | Q105 | V103-Q105 PolarHBondContact O-N 3.1Š| ||
| 104 | P | 46.6 | Very low | 50.4 | Low | 107 Ų | 107 | 140.4 Ų | 140.4 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | trans | -66.8 | 122.9 | 164.5 | 26.3 | -28.3 | 0 | 0 | 0 | 107.8 | I106 | P104-I106 VanDerWaalsContact C-N 3.31Å; P104-I106 PolarHBondContact O-N 3Å | ||
| 105 | Q | 48.5 | Very low | 50.1 | Low | 166 Ų | 166 | 143.3 Ų | 143.3 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -62.7 | 97.4 | 169.4 | -81.8 | -134.1 | 61 | 0 | 0 | 109 | V103 H107 | V103-Q105 PolarHBondContact O-N 3.1Å; Q105-H107 PolarHBondContact O-N 3.42Å | ||
| 106 | I | 57 | Low | 50.6 | Low | 154 Ų | 154 | 142.5 Ų | 142.5 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -67.1 | 99.8 | 161.8 | 35.4 | 168.9 | 0 | 0 | 0 | 107.9 | P104 | P104-I106 VanDerWaalsContact C-N 3.31Å; P104-I106 PolarHBondContact O-N 3Å | ||
| 107 | H | 56.4 | Low | 50.6 | Low | 152 Ų | 152 | 141.3 Ų | 141.3 | 70% | 0.704 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 126.2 | 164.6 | -62.3 | 161.9 | 0 | 0 | 0 | 108.6 | Q105 | Q105-H107 PolarHBondContact O-N 3.42Š|
| 108 | P | 50.4 | Low | 51.1 | Low | 126 Ų | 126 | 142.2 Ų | 142.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 145.4 | 176 | 29 | -32 | 0 | 0 | 0 | 110.4 | ||
| 109 | A | 54.6 | Low | 51.4 | Low | 88 Ų | 88 | 147.1 Ų | 147.1 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 168.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 110 | F | 52.2 | Low | 51.5 | Low | 185 Ų | 185 | 145.1 Ų | 145.1 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | 108.5 | 132.3 | 135.8 | -127.7 | -118.8 | 0 | 0 | 0 | 117.9 | ||||
| 111 | I | 59.8 | Low | 51.7 | Low | 133 Ų | 133 | 145.8 Ų | 145.8 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | trans | 86.9 | 131 | 159.1 | -68.3 | 142.2 | 0 | 0 | 0 | 117.9 | ||||
| 112 | Q | 48.3 | Very low | 52.1 | Low | 170 Ų | 170 | 142.9 Ų | 142.9 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | cis | -162.9 | 152.2 | -21.5 | -100.3 | -171.6 | 96 | 0 | 0 | 104.5 | ||||
| 113 | R | 51.1 | Low | 52.3 | Low | 189 Ų | 189 | 147.9 Ų | 147.9 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -62.2 | 161 | 161.6 | -71.5 | 156.7 | 142 | -172.1 | -9 | 109.6 | Y115 | R113-Y115 PolarHBondContact NH2-OH 2.76Š| ||
| 114 | P | 60 | Low | 52.3 | Low | 127 Ų | 127 | 149.1 Ų | 149.1 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | -140.5 | 158 | 99.9 | 31.5 | -15 | 0 | 0 | 0 | 114.4 | |||||
| 115 | Y | 43.7 | Very low | 52.8 | Low | 186 Ų | 186 | 152.6 Ų | 152.6 | 73% | 0.729 | 83% | 0.831 | S | S | * | * | trans | -69.4 | 149.4 | 164.3 | -73.1 | -97.8 | 0 | 0 | 0 | 110.6 | R113 | R113-Y115 PolarHBondContact NH2-OH 2.76Š| ||
| 116 | G | 51.8 | Low | 53.2 | Low | 155 Ų | 155 | 151.4 Ų | 151.4 | 100% | 1.598 | 84% | 0.836 | S | S | * | * | trans | -171.5 | 0 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 116 of 116 residues in 625.3 ms
(Link to these results)