| 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 | A | 83.3 | Confident | 94.4 | Very high | 105 Ų | 105 | 77.5 Ų | 77.5 | 87% | 0.868 | 46% | 0.463 | S | S | * | . | 0 | 140.6 | 0 | 0 | 0 | 0 | 0 | 0 | 107.3 | L103 | A1-L103 CarbonylContact C-O 3.6Å; A1-L103 WeakPolarHBondContact CA-O 3.21Å; A1-L103 HydrophobicContact CB-CB 4.01Å | |||
| 2 | E | 90.7 | Very high | 94.6 | Very high | 92 Ų | 92 | 71.4 Ų | 71.4 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.4 | -173.6 | -63.7 | -64 | 151 | 0 | 0 | 109.4 | V10 T102 L103 V104 T105 | E2-V10 HydrophobicContact CB-CG2 3.97Å; E2-V10 HydrophobicContact CG-CG2 3.82Å; E2-T102 HydrophobicContact CG-CG2 4.21Å; E2-L103 PolarHBondContact N-O 2.62Å; E2-V104 HydrophobicContact CB-CG2 4.3Å; E2-V104 CarbonylContact O-C 3.38Å; E2-V104 WeakPolarHBondContact O-CA 3.29Å; E2-T105 PolarHBondContact O-N 3.49Å |
| 3 | L | 94.8 | Very high | 94.8 | Very high | 125 Ų | 125 | 71.5 Ų | 71.5 | 65% | 0.654 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.8 | 172.7 | -177.7 | 65.8 | 0 | 0 | 0 | 108.5 | T105 S107 | L3-T105 WeakPolarHBondContact CA-O 3.36Å; L3-T105 HydrophobicContact CD1-CG2 3.74Å; L3-S107 WeakPolarHBondContact CD1-OG 3.1Å |
| 4 | V | 95.6 | Very high | 95 | Very high | 24 Ų | 24 | 67.4 Ų | 67.4 | 15% | 0.145 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 153.8 | -172.7 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | A8 V10 L78 V104 T105 V106 S107 | V4-A8 HydrophobicContact CB-CB 4.24Å; V4-V10 HydrophobicContact CG1-CG2 4.49Å; V4-L78 HydrophobicContact CG2-CD1 3.58Å; V4-V104 HydrophobicContact CG2-CG1 4.21Å; V4-T105 PolarHBondContact N-O 3.35Å; V4-V106 HydrophobicContact CG2-CB 4.44Å; V4-V106 HydrophobicContact CG2-CG2 3.87Å; V4-V106 WeakPolarHBondContact O-CA 3.31Å; V4-S107 PolarHBondContact O-N 2.65Å |
| 5 | K | 95.8 | Very high | 95 | Very high | 150 Ų | 150 | 73.3 Ų | 73.3 | 65% | 0.652 | 43% | 0.427 | S | S | * | . | trans | -79.7 | 153 | 175.5 | -65.9 | -175.8 | 178.7 | -176.2 | 0 | 111.1 | A8 | K5-A8 WeakPolarHBondContact O-CB 3.36Å; K5-A8 PolarHBondContact O-N 3.23Å; K5-A8 VanDerWaalsContact O-N 3.12Å | ||
| 6 | P | 96.6 | Very high | 94.9 | Very high | 75 Ų | 75 | 69.5 Ų | 69.5 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 140.5 | 169.5 | -25.2 | 34.1 | 0 | 0 | 0 | 111.9 | A8 L78 V106 S107 | P6-A8 PolarHBondContact O-N 3.11Å; P6-L78 CarbonylContact C-O 3.55Å; P6-L78 WeakPolarHBondContact CA-O 2.99Å; P6-V106 HydrophobicContact CB-CG1 4.45Å; P6-V106 HydrophobicContact CG-CG1 4.18Å; P6-S107 WeakPolarHBondContact CD-O 3.4Å |
| 7 | G | 95.2 | Very high | 94.7 | Very high | 52 Ų | 52 | 71.5 Ų | 71.5 | 54% | 0.536 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -13 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L78 | G7-L78 PolarHBondContact N-O 2.88Š|
| 8 | A | 96.1 | Very high | 94.5 | Very high | 34 Ų | 34 | 72.5 Ų | 72.5 | 28% | 0.281 | 45% | 0.453 | S | S | . | . | trans | -68.9 | 165.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | V4 K5 P6 S77 L78 | V4-A8 HydrophobicContact CB-CB 4.24Å; K5-A8 WeakPolarHBondContact O-CB 3.36Å; K5-A8 PolarHBondContact O-N 3.23Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 PolarHBondContact O-N 3.11Å; A8-S77 PolarHBondContact O-N 2.89Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 WeakPolarHBondContact O-CG 3.47Å; A8-L78 PolarHBondContact O-N 2.79Å | ||
| 9 | S | 96.6 | Very high | 94.2 | Very high | 65 Ų | 65 | 71.5 Ų | 71.5 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | trans | -113.1 | 146.8 | 169.8 | -57.5 | 0 | 0 | 0 | 0 | 109.9 | L75 S76 | S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3.45Å; S9-L75 VanDerWaalsContact CB-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; S9-S76 WeakPolarHBondContact OG-CA 3.26Å | ||
| 10 | V | 96.8 | Very high | 94.1 | Very high | 11 Ų | 11 | 72.3 Ų | 72.3 | 7% | 0.067 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 145.1 | 175.5 | 76.1 | 0 | 0 | 0 | 0 | 109.9 | E2 V4 V12 Q74 L75 L78 V104 | E2-V10 HydrophobicContact CB-CG2 3.97Å; E2-V10 HydrophobicContact CG-CG2 3.82Å; V4-V10 HydrophobicContact CG1-CG2 4.49Å; V10-V12 HydrophobicContact CG1-CG2 4.37Å; V10-Q74 CarbonylContact O-C 3.6Å; V10-Q74 WeakPolarHBondContact O-CA 3.24Å; V10-L75 HydrophobicContact CG1-CB 4.16Å; V10-L75 HydrophobicContact CG1-CD1 4.12Å; V10-L75 PolarHBondContact N-O 3.3Å; V10-L75 PolarHBondContact O-N 3.48Å; V10-L78 HydrophobicContact CB-CD1 4Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-V104 HydrophobicContact CG1-CG1 4.18Å; V10-V104 HydrophobicContact CG1-CG2 4.19Å |
| 11 | K | 97 | Very high | 94.1 | Very high | 119 Ų | 119 | 69.2 Ų | 69.2 | 52% | 0.517 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 113.9 | 175.1 | -171.1 | 177.4 | -178.2 | -176.8 | 0 | 109.2 | Y72 | K11-Y72 HydrophobicContact CD-CD1 4.25Å; K11-Y72 VanDerWaalsContact CE-CB 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.26Å |
| 12 | V | 97.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.03 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 137.3 | 175.5 | -170.7 | 0 | 0 | 0 | 0 | 108.7 | V10 W28 Y72 M73 T102 V104 | V10-V12 HydrophobicContact CG1-CG2 4.37Å; V12-W28 HydrophobicContact CB-CH2 4.35Å; V12-W28 HydrophobicContact CB-CZ3 4.07Å; V12-W28 HydrophobicContact CG1-CH2 4.17Å; V12-W28 HydrophobicContact CG1-CZ3 3.74Å; V12-Y72 CarbonylContact O-C 3.55Å; V12-Y72 VanDerWaalsContact O-CA 3.25Å; V12-Y72 WeakPolarHBondContact O-CA 3.36Å; V12-M73 HydrophobicContact CB-CE 4.37Å; V12-M73 HydrophobicContact CG2-CE 4.27Å; V12-M73 PolarHBondContact N-O 3.44Å; V12-M73 PolarHBondContact O-N 2.8Å; V12-T102 HydrophobicContact CG1-CG2 4.42Å; V12-V104 HydrophobicContact CG2-CG2 4.35Å |
| 13 | S | 97 | Very high | 94.8 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 50% | 0.503 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 151.8 | 178.8 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | A71 Y72 | S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.34Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å |
| 14 | C | 96.8 | Very high | 94.7 | Very high | 15 Ų | 15 | 63.3 Ų | 63.3 | 10% | 0.101 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 108.6 | 172.8 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | W28 T70 A71 C88 | C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-T70 WeakPolarHBondContact O-CA 3.37Å; C14-A71 PolarHBondContact N-O 2.83Å; C14-A71 PolarHBondContact O-N 2.88Å; C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.48Å |
| 15 | K | 95.9 | Very high | 94.7 | Very high | 156 Ų | 156 | 65.5 Ų | 65.5 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 123.5 | 178.9 | -173.7 | 174.1 | -177.9 | 178.3 | 0 | 109.9 | ||
| 16 | A | 93.3 | Very high | 94.8 | Very high | 12 Ų | 12 | 58.5 Ų | 58.5 | 10% | 0.099 | 36% | 0.36 | C | S | . | . | trans | -75.2 | 145.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y19 F21 S69 | A16-Y19 HydrophobicContact CB-CE1 3.77Å; A16-Y19 HydrophobicContact CB-CE2 4.27Å; A16-Y19 VanDerWaalsContact CB-CZ 3.5Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; A16-F21 HydrophobicContact CB-CB 4.02Å; A16-F21 HydrophobicContact CB-CD2 3.33Å; A16-F21 HydrophobicContact CB-CE2 4.04Å; A16-F21 HydrophobicContact CB-CG 3.94Å; A16-S69 WeakPolarHBondContact CB-O 3.37Å; A16-S69 PolarHBondContact N-O 2.8Å | ||
| 17 | S | 91.8 | Very high | 94.8 | Very high | 103 Ų | 103 | 57.2 Ų | 57.2 | 72% | 0.72 | 35% | 0.347 | S | S | * | . | trans | -152 | 145.8 | 174.1 | 62.9 | 0 | 0 | 0 | 0 | 110 | Y19 | S17-Y19 VanDerWaalsContact O-CD1 3.27Å; S17-Y19 WeakPolarHBondContact O-CD1 3.34Å; S17-Y19 PolarHBondContact O-N 2.81Å | ||
| 18 | G | 90.1 | Very high | 94.9 | Very high | 90 Ų | 90 | 54.8 Ų | 54.8 | 93% | 0.928 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 80.8 | 7.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 19 | Y | 89 | Confident | 95 | Very high | 53 Ų | 53 | 53.6 Ų | 53.6 | 21% | 0.208 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -155.1 | 166.1 | 174.9 | 67.2 | -82 | 0 | 0 | 0 | 111.4 | A16 S17 F21 Y24 M26 I90 L92 | A16-Y19 HydrophobicContact CB-CE1 3.77Å; A16-Y19 HydrophobicContact CB-CE2 4.27Å; A16-Y19 VanDerWaalsContact CB-CZ 3.5Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; S17-Y19 VanDerWaalsContact O-CD1 3.27Å; S17-Y19 WeakPolarHBondContact O-CD1 3.34Å; S17-Y19 PolarHBondContact O-N 2.81Å; Y19-F21 PolarHBondContact O-N 3.01Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; Y19-Y24 AromaticContact CD2-CD2 3.81Å; Y19-Y24 HydrophobicContact CD2-CD2 3.81Å; Y19-Y24 HydrophobicContact CD2-CE2 4.34Å; Y19-Y24 HydrophobicContact CE2-CD2 4.27Å; Y19-M26 VanDerWaalsContact OH-CE 3.26Å; Y19-M26 WeakPolarHBondContact OH-CE 3.48Å; Y19-I90 HydrophobicContact CD1-CD1 3.79Å; Y19-I90 HydrophobicContact CD2-CD1 4.47Å; Y19-I90 HydrophobicContact CE1-CD1 3.31Å; Y19-I90 HydrophobicContact CE2-CD1 4.05Å; Y19-I90 HydrophobicContact CG-CD1 4.36Å; Y19-I90 VanDerWaalsContact CZ-CD1 3.45Å; Y19-L92 HydrophobicContact CD1-CD1 4.33Å; Y19-L92 HydrophobicContact CD2-CD2 4.43Å; Y19-L92 HydrophobicContact CG-CD1 4.28Å |
| 20 | T | 93.6 | Very high | 95 | Very high | 87 Ų | 87 | 50.6 Ų | 50.6 | 53% | 0.534 | 29% | 0.29 | S | S | . | . | trans | -70.5 | 104.5 | 172.9 | -55.4 | 0 | 0 | 0 | 0 | 110 | T22 S23 | T20-T22 PolarHBondContact O-N 3.14Å; T20-T22 VanDerWaalsContact O-N 3.08Å; T20-S23 WeakPolarHBondContact CB-OG 3.47Å; T20-S23 VanDerWaalsContact CG2-OG 3.29Å; T20-S23 WeakPolarHBondContact CG2-OG 3.44Å; T20-S23 WeakPolarHBondContact O-CB 3Å; T20-S23 PolarHBondContact O-N 2.94Å | ||
| 21 | F | 93.1 | Very high | 95 | Very high | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -52.9 | -35.1 | -174.1 | 177.1 | -127 | 0 | 0 | 0 | 113.9 | A16 Y19 S23 M26 P45 V64 A71 | A16-F21 HydrophobicContact CB-CB 4.02Å; A16-F21 HydrophobicContact CB-CD2 3.33Å; A16-F21 HydrophobicContact CB-CE2 4.04Å; A16-F21 HydrophobicContact CB-CG 3.94Å; Y19-F21 PolarHBondContact O-N 3.01Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; F21-S23 VanDerWaalsContact C-N 3.3Å; F21-S23 PolarHBondContact O-N 3.18Å; F21-M26 HydrophobicContact CD2-CE 4.42Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.42Å; F21-P45 HydrophobicContact CD2-CB 4.32Å; F21-P45 HydrophobicContact CD2-CG 4.04Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 4.09Å; F21-P45 HydrophobicContact CE2-CB 4.07Å; F21-P45 HydrophobicContact CE2-CG 3.66Å; F21-P45 HydrophobicContact CG-CB 4.24Å; F21-P45 HydrophobicContact CG-CG 4.42Å; F21-P45 HydrophobicContact CZ-CB 3.68Å; F21-P45 HydrophobicContact CZ-CG 3.69Å; F21-P45 WeakPolarHBondContact O-CG 3.44Å; F21-V64 HydrophobicContact CE1-CB 4.38Å; F21-V64 HydrophobicContact CZ-CB 4.38Å; F21-V64 HydrophobicContact CZ-CG1 4.08Å; F21-A71 HydrophobicContact CE2-CB 4.26Å; F21-A71 HydrophobicContact CZ-CB 4.06Å |
| 22 | T | 95.1 | Very high | 94.8 | Very high | 56 Ų | 56 | 51 Ų | 51 | 34% | 0.344 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -82.4 | 0.4 | -177.4 | 53 | 0 | 0 | 0 | 0 | 114.8 | T20 H44 S46 K66 | T20-T22 PolarHBondContact O-N 3.14Å; T20-T22 VanDerWaalsContact O-N 3.08Å; T22-H44 PolarHBondContact O-CE1 2.98Å; T22-S46 WeakPolarHBondContact O-CB 3.34Å; T22-K66 HydrophobicContact CG2-CD 4.49Å |
| 23 | S | 93.4 | Very high | 94.3 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 44% | 0.441 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -93 | -11.3 | -176.6 | -62.9 | 0 | 0 | 0 | 0 | 114.4 | T20 F21 | T20-S23 WeakPolarHBondContact CB-OG 3.47Å; T20-S23 VanDerWaalsContact CG2-OG 3.29Å; T20-S23 WeakPolarHBondContact CG2-OG 3.44Å; T20-S23 WeakPolarHBondContact O-CB 3Å; T20-S23 PolarHBondContact O-N 2.94Å; F21-S23 VanDerWaalsContact C-N 3.3Å; F21-S23 PolarHBondContact O-N 3.18Å |
| 24 | Y | 92.6 | Very high | 93.9 | Very high | 80 Ų | 80 | 57.2 Ų | 57.2 | 31% | 0.314 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -139.1 | 148.7 | -169.8 | -59.9 | -82.5 | 0 | 0 | 0 | 112.7 | Y19 M26 P45 A91 L92 | Y19-Y24 AromaticContact CD2-CD2 3.81Å; Y19-Y24 HydrophobicContact CD2-CD2 3.81Å; Y19-Y24 HydrophobicContact CD2-CE2 4.34Å; Y19-Y24 HydrophobicContact CE2-CD2 4.27Å; Y24-M26 PolarHBondContact O-N 2.81Å; Y24-P45 WeakPolarHBondContact O-CD 3.43Å; Y24-A91 WeakPolarHBondContact CD1-O 3.4Å; Y24-L92 HydrophobicContact CD1-CD2 3.63Å; Y24-L92 HydrophobicContact CD2-CD2 3.33Å; Y24-L92 HydrophobicContact CE1-CD2 3.55Å; Y24-L92 HydrophobicContact CE2-CD2 3.24Å; Y24-L92 HydrophobicContact CG-CD2 3.52Å |
| 25 | W | 95.9 | Very high | 93.5 | Very high | 69 Ų | 69 | 61.8 Ų | 61.8 | 26% | 0.261 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 129.3 | 169.7 | -72 | 89.8 | 0 | 0 | 0 | 111 | R42 I43 H44 D49 | W25-R42 HydrophobicContact CD2-CG 4.22Å; W25-R42 HydrophobicContact CE3-CB 3.94Å; W25-R42 HydrophobicContact CE3-CG 3.41Å; W25-R42 VanDerWaalsContact CE3-CG 3.41Å; W25-R42 HydrophobicContact CZ3-CG 3.78Å; W25-I43 VanDerWaalsContact CE3-C 3.44Å; W25-H44 AromaticContact CD1-CD2 3.56Å; W25-H44 HydrophobicContact CD2-CB 3.75Å; W25-H44 AromaticContact CD2-CD2 3.74Å; W25-H44 AromaticContact CE2-CD2 3.6Å; W25-H44 AromaticContact CE2-CG 3.96Å; W25-H44 HydrophobicContact CE3-CB 3.64Å; W25-H44 VanDerWaalsContact CE3-N 3.32Å; W25-H44 AromaticContact CG-CD2 3.74Å; W25-H44 HydrophobicContact CH2-CB 3.68Å; W25-H44 HydrophobicContact CZ2-CB 3.75Å; W25-H44 HydrophobicContact CZ3-CB 3.62Å; W25-H44 AromaticContact NE1-CD2 3.44Å; W25-H44 PolarHBondContact NE1-CD2 3.44Å; W25-D49 HydrophobicContact CH2-CB 3.89Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.31Å; W25-D49 VanDerWaalsContact CZ3-O 3.29Å; W25-D49 WeakPolarHBondContact CZ3-O 3.32Å |
| 26 | M | 97 | Very high | 93.3 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.015 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117 | 169.2 | -174.6 | 68.6 | 73.9 | 0 | 0 | 109.1 | Y19 F21 Y24 R42 I43 A71 C88 I90 | Y19-M26 VanDerWaalsContact OH-CE 3.26Å; Y19-M26 WeakPolarHBondContact OH-CE 3.48Å; F21-M26 HydrophobicContact CD2-CE 4.42Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; Y24-M26 PolarHBondContact O-N 2.81Å; M26-R42 CarbonylContact O-C 3.54Å; M26-R42 WeakPolarHBondContact O-CA 3.15Å; M26-R42 WeakPolarHBondContact O-CB 3.36Å; M26-I43 HydrophobicContact CB-CG2 4.14Å; M26-I43 PolarHBondContact N-O 3.21Å; M26-I43 PolarHBondContact O-N 2.94Å; M26-A71 HydrophobicContact CB-CB 4.35Å; M26-A71 HydrophobicContact CE-CB 4.42Å; M26-A71 HydrophobicContact CG-CB 3.83Å; M26-C88 HydrophobicContact CG-CB 4.33Å; M26-C88 HydrophobicContact SD-CB 3.7Å; M26-I90 HydrophobicContact CE-CG2 3.9Å; M26-I90 HydrophobicContact SD-CG2 3.59Å; M26-I90 VanDerWaalsContact SD-CG2 3.59Å |
| 27 | H | 97.5 | Very high | 93.3 | Very high | 49 Ų | 49 | 61 Ų | 61 | 23% | 0.227 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 147.6 | 177.3 | -67 | -108.3 | 0 | 0 | 0 | 110.8 | W39 C88 A89 | H27-W39 AromaticContact CG-NE1 3.99Å; H27-W39 AromaticContact ND1-CD1 3.98Å; H27-W39 AromaticContact ND1-NE1 3.21Å; H27-W39 PolarHBondContact ND1-NE1 3.34Å; H27-C88 CarbonylContact O-C 3.55Å; H27-C88 WeakPolarHBondContact O-CA 3.22Å; H27-A89 HydrophobicContact CB-CB 4.4Å; H27-A89 WeakPolarHBondContact CB-O 3.36Å; H27-A89 PolarHBondContact N-O 3.18Å; H27-A89 PolarHBondContact O-N 2.87Å |
| 28 | W | 98.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.7 | 173.5 | -71.2 | 92.5 | 0 | 0 | 0 | 110.4 | V12 C14 I40 G41 L62 A71 M73 C88 | V12-W28 HydrophobicContact CB-CH2 4.35Å; V12-W28 HydrophobicContact CB-CZ3 4.07Å; V12-W28 HydrophobicContact CG1-CH2 4.17Å; V12-W28 HydrophobicContact CG1-CZ3 3.74Å; C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.41Å; W28-I40 PolarHBondContact O-N 2.82Å; W28-G41 PolarHBondContact N-O 3.06Å; W28-L62 VanDerWaalsContact CD1-CD2 3.5Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; W28-A71 HydrophobicContact CZ2-CB 4.17Å; W28-M73 HydrophobicContact CB-SD 3.94Å; W28-M73 HydrophobicContact CD2-CB 3.67Å; W28-M73 HydrophobicContact CD2-CE 4.4Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.08Å; W28-M73 HydrophobicContact CE3-CB 3.82Å; W28-M73 HydrophobicContact CE3-CE 3.73Å; W28-M73 HydrophobicContact CE3-SD 4.01Å; W28-M73 HydrophobicContact CG-CB 4.23Å; W28-M73 HydrophobicContact CG-SD 4.08Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.92Å; W28-M73 HydrophobicContact CZ3-CB 4.01Å; W28-M73 HydrophobicContact CZ3-CE 4.18Å; W28-C88 HydrophobicContact CE3-CB 4.34Å; W28-C88 HydrophobicContact CH2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.32Å |
| 29 | V | 97.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 57.2 Ų | 57.2 | 6% | 0.055 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 136.4 | -172.9 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | L37 E38 Y86 S87 W98 | V29-L37 HydrophobicContact CG1-CB 3.86Å; V29-L37 HydrophobicContact CG1-CD2 4.02Å; V29-L37 HydrophobicContact CG1-CG 4.41Å; V29-E38 WeakPolarHBondContact CA-O 3.39Å; V29-Y86 WeakPolarHBondContact O-CA 3.43Å; V29-S87 PolarHBondContact N-O 3.14Å; V29-S87 PolarHBondContact O-N 2.93Å; V29-W98 HydrophobicContact CB-CH2 4.3Å; V29-W98 HydrophobicContact CB-CZ3 3.85Å; V29-W98 HydrophobicContact CG1-CH2 4.25Å; V29-W98 HydrophobicContact CG1-CZ3 4.08Å; V29-W98 HydrophobicContact CG2-CH2 3.84Å; V29-W98 HydrophobicContact CG2-CZ3 3.72Å |
| 30 | K | 96.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.8 | 171.5 | -179.4 | 178.5 | -177.1 | 175.4 | 0 | 108.8 | R32 E38 I40 F56 E81 D82 A84 Y86 | K30-R32 VanDerWaalsContact NZ-NH2 3.19Å; K30-E38 HydrophobicContact CB-CB 4.3Å; K30-E38 PolarHBondContact N-O 3.11Å; K30-E38 PolarHBondContact O-N 2.87Å; K30-I40 HydrophobicContact CB-CD1 3.95Å; K30-I40 HydrophobicContact CB-CG1 4.1Å; K30-F56 HydrophobicContact CB-CZ 4.33Å; K30-F56 HydrophobicContact CD-CE1 3.83Å; K30-F56 HydrophobicContact CD-CZ 3.91Å; K30-E81 PolarHBondContact NZ-O 3.23Å; K30-D82 IonicContact NZ-OD1 3.18Å; K30-D82 PolarHBondContact NZ-OD1 2.89Å; K30-D82 VanDerWaalsContact NZ-OD1 3.14Å; K30-A84 HydrophobicContact CD-CB 4.27Å; K30-A84 HydrophobicContact CG-CB 3.57Å; K30-Y86 HydrophobicContact CB-CD1 4.09Å; K30-Y86 HydrophobicContact CB-CE1 3.82Å; K30-Y86 HydrophobicContact CD-CE1 3.89Å; K30-Y86 WeakPolarHBondContact CE-OH 3.18Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.67Å |
| 31 | Q | 95.9 | Very high | 94.5 | Very high | 92 Ų | 92 | 50.6 Ų | 50.6 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 113.5 | 174.6 | -175.6 | 177.2 | 20.4 | 0 | 0 | 109.7 | L37 A84 V85 | Q31-L37 HydrophobicContact CB-CD2 3.72Å; Q31-L37 HydrophobicContact CG-CD2 3.72Å; Q31-A84 WeakPolarHBondContact O-CB 3.5Å; Q31-V85 HydrophobicContact CB-CB 4.45Å; Q31-V85 PolarHBondContact N-O 3.16Å; Q31-V85 PolarHBondContact O-N 3.11Å |
| 32 | R | 92.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 54.2 Ų | 54.2 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | trans | -92 | 145 | 173 | -71.5 | 176.3 | 178.5 | 148.1 | -3.2 | 110.5 | K30 G34 Q35 E38 E81 A84 | K30-R32 VanDerWaalsContact NZ-NH2 3.19Å; R32-G34 PolarHBondContact O-N 3.31Å; R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.14Å; R32-Q35 PolarHBondContact O-N 2.83Å; R32-Q35 VanDerWaalsContact O-N 3.11Å; R32-E38 IonicContact CZ-OE2 3.84Å; R32-E38 IonicContact NH1-OE2 3.48Å; R32-E38 PolarHBondContact NH1-OE2 3.43Å; R32-E81 VanDerWaalsContact CZ-O 3.28Å; R32-E81 PolarHBondContact NE-O 2.69Å; R32-E81 PolarHBondContact NH2-O 2.91Å; R32-A84 HydrophobicContact CG-CB 3.99Å | ||
| 33 | P | 86.9 | Confident | 94.9 | Very high | 115 Ų | 115 | 51.6 Ų | 51.6 | 75% | 0.747 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 128.9 | 172.2 | -24.4 | 34.1 | 0 | 0 | 0 | 111.2 | Q35 | P33-Q35 PolarHBondContact O-N 2.92Š|
| 34 | G | 88.6 | Confident | 95 | Very high | 93 Ų | 93 | 49.9 Ų | 49.9 | 96% | 0.959 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 4.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R32 | R32-G34 PolarHBondContact O-N 3.31Š|
| 35 | Q | 89.4 | Confident | 95.2 | Very high | 110 Ų | 110 | 46 Ų | 46 | 51% | 0.514 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -118.1 | 165.6 | 174.7 | -54.8 | -176.3 | 14.3 | 0 | 0 | 111 | R32 P33 | R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.14Å; R32-Q35 PolarHBondContact O-N 2.83Å; R32-Q35 VanDerWaalsContact O-N 3.11Å; P33-Q35 PolarHBondContact O-N 2.92Å |
| 36 | G | 89.8 | Confident | 95.3 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 58% | 0.577 | 26% | 0.26 | S | S | * | . | trans | -68.6 | 173.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 37 | L | 94.3 | Very high | 95.3 | Very high | 97 Ų | 97 | 49.8 Ų | 49.8 | 51% | 0.508 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 129 | 172.2 | -62.7 | 175.5 | 0 | 0 | 0 | 110.1 | V29 Q31 W98 | V29-L37 HydrophobicContact CG1-CB 3.86Å; V29-L37 HydrophobicContact CG1-CD2 4.02Å; V29-L37 HydrophobicContact CG1-CG 4.41Å; Q31-L37 HydrophobicContact CB-CD2 3.72Å; Q31-L37 HydrophobicContact CG-CD2 3.72Å; L37-W98 HydrophobicContact CD1-CH2 3.96Å; L37-W98 HydrophobicContact CD1-CZ2 4.41Å |
| 38 | E | 96.4 | Very high | 95.2 | Very high | 35 Ų | 35 | 50.2 Ų | 50.2 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 114.2 | 173.7 | -64.8 | -169.4 | 94.5 | 0 | 0 | 109.8 | V29 K30 R32 I40 K55 F56 | V29-E38 WeakPolarHBondContact CA-O 3.39Å; K30-E38 HydrophobicContact CB-CB 4.3Å; K30-E38 PolarHBondContact N-O 3.11Å; K30-E38 PolarHBondContact O-N 2.87Å; R32-E38 IonicContact CZ-OE2 3.84Å; R32-E38 IonicContact NH1-OE2 3.48Å; R32-E38 PolarHBondContact NH1-OE2 3.43Å; E38-I40 PolarHBondContact O-N 3.07Å; E38-K55 IonicContact OE1-NZ 3.14Å; E38-K55 PolarHBondContact OE1-NZ 2.88Å; E38-F56 HydrophobicContact CB-CE2 4.23Å; E38-F56 HydrophobicContact CB-CZ 4.16Å |
| 39 | W | 97 | Very high | 95.2 | Very high | 78 Ų | 78 | 54.4 Ų | 54.4 | 30% | 0.295 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 125.8 | 174.5 | -178.7 | 71.7 | 0 | 0 | 0 | 110.5 | H27 G41 R42 N51 N53 | H27-W39 AromaticContact CG-NE1 3.99Å; H27-W39 AromaticContact ND1-CD1 3.98Å; H27-W39 AromaticContact ND1-NE1 3.21Å; H27-W39 PolarHBondContact ND1-NE1 3.34Å; W39-G41 PolarHBondContact NE1-O 2.93Å; W39-R42 HydrophobicContact CZ2-CB 4.07Å; W39-R42 HydrophobicContact CZ2-CG 3.9Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.07Å; W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.94Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 2.89Å |
| 40 | I | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -48.6 | -176.5 | -60.9 | 173.2 | 0 | 0 | 0 | 110.2 | W28 K30 E38 N53 F56 A60 M73 Y86 | W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.41Å; W28-I40 PolarHBondContact O-N 2.82Å; K30-I40 HydrophobicContact CB-CD1 3.95Å; K30-I40 HydrophobicContact CB-CG1 4.1Å; E38-I40 PolarHBondContact O-N 3.07Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 3.21Å; I40-F56 HydrophobicContact CB-CD2 4.24Å; I40-F56 HydrophobicContact CB-CG 4.18Å; I40-F56 HydrophobicContact CG1-CD1 4.11Å; I40-F56 HydrophobicContact CG1-CD2 4.19Å; I40-F56 HydrophobicContact CG1-CE1 4.06Å; I40-F56 HydrophobicContact CG1-CE2 4.12Å; I40-F56 HydrophobicContact CG1-CG 4.17Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.73Å; I40-F56 HydrophobicContact CG2-CD1 4.13Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; I40-A60 HydrophobicContact CG2-CB 3.7Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.5Å; I40-M73 WeakPolarHBondContact CD1-SD 3.45Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.94Å |
| 41 | G | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.2 | -178.2 | -172 | 0 | 0 | 0 | 0 | 0 | 111.9 | W28 W39 N51 | W28-G41 PolarHBondContact N-O 3.06Å; W39-G41 PolarHBondContact NE1-O 2.93Å; G41-N51 CarbonylContact C-O 3.56Å; G41-N51 WeakPolarHBondContact CA-O 3.29Å |
| 42 | R | 97.7 | Very high | 95.3 | Very high | 84 Ų | 84 | 58 Ų | 58 | 32% | 0.317 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 153.4 | 173 | 65.5 | -178.4 | -175 | -173.9 | -3 | 110.8 | W25 M26 W39 T50 N51 | W25-R42 HydrophobicContact CD2-CG 4.22Å; W25-R42 HydrophobicContact CE3-CB 3.94Å; W25-R42 HydrophobicContact CE3-CG 3.41Å; W25-R42 VanDerWaalsContact CE3-CG 3.41Å; W25-R42 HydrophobicContact CZ3-CG 3.78Å; M26-R42 CarbonylContact O-C 3.54Å; M26-R42 WeakPolarHBondContact O-CA 3.15Å; M26-R42 WeakPolarHBondContact O-CB 3.36Å; W39-R42 HydrophobicContact CZ2-CB 4.07Å; W39-R42 HydrophobicContact CZ2-CG 3.9Å; R42-T50 WeakPolarHBondContact O-CA 3.48Å; R42-N51 HydrophobicContact CG-CB 4.08Å; R42-N51 PolarHBondContact N-O 3.24Å; R42-N51 PolarHBondContact O-N 3.12Å |
| 43 | I | 98.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.7 | 174.4 | -175.7 | 158.8 | 0 | 0 | 0 | 109.5 | W25 M26 P45 D49 T50 L62 V64 | W25-I43 VanDerWaalsContact CE3-C 3.44Å; M26-I43 HydrophobicContact CB-CG2 4.14Å; M26-I43 PolarHBondContact N-O 3.21Å; M26-I43 PolarHBondContact O-N 2.94Å; I43-P45 WeakPolarHBondContact O-CD 2.98Å; I43-D49 CarbonylContact C-O 3.38Å; I43-D49 VanDerWaalsContact CA-O 3.29Å; I43-D49 WeakPolarHBondContact CA-O 3.17Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.7Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; I43-L62 HydrophobicContact CB-CB 4.02Å; I43-L62 HydrophobicContact CB-CD1 4.22Å; I43-L62 HydrophobicContact CD1-CB 4.03Å; I43-L62 HydrophobicContact CG2-CB 4.27Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.41Å; I43-V64 HydrophobicContact CG1-CG1 3.95Å; I43-V64 HydrophobicContact CG2-CG1 3.98Å |
| 44 | H | 97.3 | Very high | 95.9 | Very high | 26 Ų | 26 | 59.4 Ų | 59.4 | 12% | 0.12 | 34% | 0.337 | C | S | . | . | trans | -93.2 | 116.1 | 173.3 | -163.2 | -93.6 | 0 | 0 | 0 | 109.5 | T22 W25 S46 D47 S48 D49 | T22-H44 PolarHBondContact O-CE1 2.98Å; W25-H44 AromaticContact CD1-CD2 3.56Å; W25-H44 HydrophobicContact CD2-CB 3.75Å; W25-H44 AromaticContact CD2-CD2 3.74Å; W25-H44 AromaticContact CE2-CD2 3.6Å; W25-H44 AromaticContact CE2-CG 3.96Å; W25-H44 HydrophobicContact CE3-CB 3.64Å; W25-H44 VanDerWaalsContact CE3-N 3.32Å; W25-H44 AromaticContact CG-CD2 3.74Å; W25-H44 HydrophobicContact CH2-CB 3.68Å; W25-H44 HydrophobicContact CZ2-CB 3.75Å; W25-H44 HydrophobicContact CZ3-CB 3.62Å; W25-H44 AromaticContact NE1-CD2 3.44Å; W25-H44 PolarHBondContact NE1-CD2 3.44Å; H44-S46 PolarHBondContact CE1-OG 3.12Å; H44-S46 PolarHBondContact ND1-N 2.91Å; H44-S46 PolarHBondContact ND1-OG 2.66Å; H44-S46 PolarHBondContact O-N 2.89Å; H44-D47 WeakPolarHBondContact CB-OD1 3.22Å; H44-D47 IonicContact CG-OD1 3.82Å; H44-D47 IonicContact ND1-OD1 3.53Å; H44-S48 WeakPolarHBondContact O-CA 3.36Å; H44-S48 PolarHBondContact O-N 2.97Å; H44-D49 PolarHBondContact N-O 3.17Å | ||
| 45 | P | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -11.8 | -171.9 | -21.1 | 34.8 | 0 | 0 | 0 | 115.2 | F21 Y24 I43 V64 K66 | F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.42Å; F21-P45 HydrophobicContact CD2-CB 4.32Å; F21-P45 HydrophobicContact CD2-CG 4.04Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 4.09Å; F21-P45 HydrophobicContact CE2-CB 4.07Å; F21-P45 HydrophobicContact CE2-CG 3.66Å; F21-P45 HydrophobicContact CG-CB 4.24Å; F21-P45 HydrophobicContact CG-CG 4.42Å; F21-P45 HydrophobicContact CZ-CB 3.68Å; F21-P45 HydrophobicContact CZ-CG 3.69Å; F21-P45 WeakPolarHBondContact O-CG 3.44Å; Y24-P45 WeakPolarHBondContact O-CD 3.43Å; I43-P45 WeakPolarHBondContact O-CD 2.98Å; P45-V64 HydrophobicContact CB-CB 4.46Å; P45-V64 HydrophobicContact CB-CG1 4.02Å; P45-V64 HydrophobicContact CG-CG1 4.2Å; P45-K66 WeakPolarHBondContact O-CE 3.35Å |
| 46 | S | 96.7 | Very high | 96.4 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -41.4 | 178.3 | 73.5 | 0 | 0 | 0 | 0 | 113.2 | T22 H44 K66 | T22-S46 WeakPolarHBondContact O-CB 3.34Å; H44-S46 PolarHBondContact CE1-OG 3.12Å; H44-S46 PolarHBondContact ND1-N 2.91Å; H44-S46 PolarHBondContact ND1-OG 2.66Å; H44-S46 PolarHBondContact O-N 2.89Å; S46-K66 PolarHBondContact O-NZ 2.79Å |
| 47 | D | 96.8 | Very high | 96.6 | Very high | 101 Ų | 101 | 61.2 Ų | 61.2 | 54% | 0.54 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -1.8 | -170.5 | 54 | 13.4 | 0 | 0 | 0 | 112.5 | H44 D49 | H44-D47 WeakPolarHBondContact CB-OD1 3.22Å; H44-D47 IonicContact CG-OD1 3.82Å; H44-D47 IonicContact ND1-OD1 3.53Å; D47-D49 PolarHBondContact O-N 3.23Å; D47-D49 WeakPolarHBondContact OD1-CB 3.38Å; D47-D49 PolarHBondContact OD1-N 2.89Å |
| 48 | S | 96.4 | Very high | 96.5 | Very high | 59 Ų | 59 | 60 Ų | 60 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | trans | 61.9 | 22.1 | -176.6 | -52.8 | 0 | 0 | 0 | 0 | 113.3 | H44 V64 | H44-S48 WeakPolarHBondContact O-CA 3.36Å; H44-S48 PolarHBondContact O-N 2.97Å; S48-V64 WeakPolarHBondContact OG-CG2 3.19Å | ||
| 49 | D | 97.8 | Very high | 96.4 | Very high | 89 Ų | 89 | 60.3 Ų | 60.3 | 48% | 0.476 | 31% | 0.312 | S | S | . | . | trans | -63.4 | 140.6 | 173.7 | -172.6 | 25.6 | 0 | 0 | 0 | 110.1 | W25 I43 H44 D47 | W25-D49 HydrophobicContact CH2-CB 3.89Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.31Å; W25-D49 VanDerWaalsContact CZ3-O 3.29Å; W25-D49 WeakPolarHBondContact CZ3-O 3.32Å; I43-D49 CarbonylContact C-O 3.38Å; I43-D49 VanDerWaalsContact CA-O 3.29Å; I43-D49 WeakPolarHBondContact CA-O 3.17Å; H44-D49 PolarHBondContact N-O 3.17Å; D47-D49 PolarHBondContact O-N 3.23Å; D47-D49 WeakPolarHBondContact OD1-CB 3.38Å; D47-D49 PolarHBondContact OD1-N 2.89Å | ||
| 50 | T | 98 | Very high | 96.5 | Very high | 50 Ų | 50 | 56.8 Ų | 56.8 | 31% | 0.307 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140.1 | -173.9 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | R42 I43 Y52 L62 | R42-T50 WeakPolarHBondContact O-CA 3.48Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.7Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; T50-Y52 HydrophobicContact CG2-CE2 4.4Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.16Å; T50-L62 HydrophobicContact CG2-CB 4.14Å |
| 51 | N | 97.5 | Very high | 96.5 | Very high | 78 Ų | 78 | 60 Ų | 60 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.4 | 170.1 | -172.4 | -119.3 | 0 | 0 | 0 | 109.7 | W39 G41 R42 | W39-N51 WeakPolarHBondContact CH2-OD1 3.07Å; G41-N51 CarbonylContact C-O 3.56Å; G41-N51 WeakPolarHBondContact CA-O 3.29Å; R42-N51 HydrophobicContact CG-CB 4.08Å; R42-N51 PolarHBondContact N-O 3.24Å; R42-N51 PolarHBondContact O-N 3.12Å |
| 52 | Y | 97.8 | Very high | 96.5 | Very high | 51 Ų | 51 | 60.4 Ų | 60.4 | 20% | 0.2 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147.3 | -174.6 | -67 | -89.6 | 0 | 0 | 0 | 110.8 | T50 A60 L62 | T50-Y52 HydrophobicContact CG2-CE2 4.4Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.16Å; Y52-A60 HydrophobicContact CE1-CB 4.39Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.46Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.92Å |
| 53 | N | 96.9 | Very high | 96.5 | Very high | 46 Ų | 46 | 59.2 Ų | 59.2 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | trans | -69.5 | 136.5 | 157.3 | -177.4 | -24.7 | 0 | 0 | 0 | 109 | W39 I40 K55 F56 K57 | W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.94Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 2.89Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 3.21Å; N53-K55 PolarHBondContact O-N 2.7Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 2.94Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å; N53-F56 HydrophobicContact CB-CD2 4.08Å; N53-F56 PolarHBondContact O-N 3.36Å; N53-K57 PolarHBondContact O-N 2.79Å | ||
| 54 | Q | 95.4 | Very high | 96.5 | Very high | 143 Ų | 143 | 60.5 Ų | 60.5 | 67% | 0.668 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -54.1 | -35 | -178.6 | -64.4 | -61.5 | -21.8 | 0 | 0 | 112.8 | F56 K57 | Q54-F56 PolarHBondContact O-N 3.45Å; Q54-K57 PolarHBondContact O-N 3.39Å |
| 55 | K | 93.1 | Very high | 96.5 | Very high | 151 Ų | 151 | 61.8 Ų | 61.8 | 66% | 0.657 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -59.7 | -30.4 | 177.7 | -68.8 | -172.6 | -179 | -176 | 0 | 113.9 | E38 N53 | E38-K55 IonicContact OE1-NZ 3.14Å; E38-K55 PolarHBondContact OE1-NZ 2.88Å; N53-K55 PolarHBondContact O-N 2.7Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 2.94Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å |
| 56 | F | 95.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 66.9 Ų | 66.9 | 4% | 0.044 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -107 | -2.5 | -174.9 | -62.9 | -83.8 | 0 | 0 | 0 | 112.7 | K30 E38 I40 N53 Q54 G58 K59 A60 | K30-F56 HydrophobicContact CB-CZ 4.33Å; K30-F56 HydrophobicContact CD-CE1 3.83Å; K30-F56 HydrophobicContact CD-CZ 3.91Å; E38-F56 HydrophobicContact CB-CE2 4.23Å; E38-F56 HydrophobicContact CB-CZ 4.16Å; I40-F56 HydrophobicContact CB-CD2 4.24Å; I40-F56 HydrophobicContact CB-CG 4.18Å; I40-F56 HydrophobicContact CG1-CD1 4.11Å; I40-F56 HydrophobicContact CG1-CD2 4.19Å; I40-F56 HydrophobicContact CG1-CE1 4.06Å; I40-F56 HydrophobicContact CG1-CE2 4.12Å; I40-F56 HydrophobicContact CG1-CG 4.17Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.73Å; I40-F56 HydrophobicContact CG2-CD1 4.13Å; I40-F56 HydrophobicContact CG2-CD2 4.35Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; N53-F56 HydrophobicContact CB-CD2 4.08Å; N53-F56 PolarHBondContact O-N 3.36Å; Q54-F56 PolarHBondContact O-N 3.45Å; F56-G58 PolarHBondContact O-N 3Å; F56-K59 PolarHBondContact O-N 3.24Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 2.88Å |
| 57 | K | 93.1 | Very high | 96.3 | Very high | 137 Ų | 137 | 69.9 Ų | 69.9 | 60% | 0.596 | 38% | 0.382 | S | S | * | . | B | Isolated β-bridge | trans | -63.3 | 121.3 | 176.6 | -166.3 | 174.8 | -178 | -178.7 | 0 | 109.1 | N53 Q54 K59 | N53-K57 PolarHBondContact O-N 2.79Å; Q54-K57 PolarHBondContact O-N 3.39Å; K57-K59 VanDerWaalsContact C-N 3.29Å; K57-K59 PolarHBondContact O-N 3.32Å |
| 58 | G | 92.5 | Very high | 96.3 | Very high | 70 Ų | 70 | 66.8 Ų | 66.8 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | -16.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | F56 | F56-G58 PolarHBondContact O-N 3Š|
| 59 | K | 95.4 | Very high | 96.3 | Very high | 43 Ų | 43 | 66.1 Ų | 66.1 | 19% | 0.187 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -40.1 | 173.6 | -172.2 | 74.4 | 176.4 | -160.9 | 0 | 112.1 | F56 K57 L75 S76 S77 D82 | F56-K59 PolarHBondContact O-N 3.24Å; K57-K59 VanDerWaalsContact C-N 3.29Å; K57-K59 PolarHBondContact O-N 3.32Å; K59-L75 WeakPolarHBondContact O-CA 3.42Å; K59-S76 VanDerWaalsContact CD-O 3.22Å; K59-S76 WeakPolarHBondContact CD-O 3.01Å; K59-S76 WeakPolarHBondContact CE-O 3.01Å; K59-S76 PolarHBondContact NZ-O 2.81Å; K59-S76 PolarHBondContact O-N 2.92Å; K59-S76 PolarHBondContact O-OG 2.86Å; K59-S77 PolarHBondContact NZ-O 3.12Å; K59-D82 WeakPolarHBondContact CE-OD2 3.41Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 3.08Å |
| 60 | A | 97.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I40 Y52 F56 M73 Q74 L75 | I40-A60 HydrophobicContact CG2-CB 3.7Å; Y52-A60 HydrophobicContact CE1-CB 4.39Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.46Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 2.88Å; A60-M73 HydrophobicContact CB-CG 4.35Å; A60-M73 HydrophobicContact CB-SD 4.49Å; A60-Q74 CarbonylContact C-O 3.54Å; A60-Q74 WeakPolarHBondContact CA-O 3.12Å; A60-L75 HydrophobicContact CB-CD2 3.98Å |
| 61 | T | 98.1 | Very high | 96.3 | Very high | 68 Ų | 68 | 60 Ų | 60 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.8 | 170.2 | -58.7 | 0 | 0 | 0 | 0 | 108.7 | T63 M73 Q74 | T61-T63 HydrophobicContact CG2-CG2 4.34Å; T61-M73 WeakPolarHBondContact O-CA 3.3Å; T61-Q74 PolarHBondContact N-O 2.88Å; T61-Q74 PolarHBondContact O-N 3.46Å |
| 62 | L | 98.4 | Very high | 96.3 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 5% | 0.047 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 134.4 | 178.2 | -52.5 | -176.1 | 0 | 0 | 0 | 110.4 | W28 I43 T50 Y52 Y72 M73 | W28-L62 VanDerWaalsContact CD1-CD2 3.5Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; I43-L62 HydrophobicContact CB-CB 4.02Å; I43-L62 HydrophobicContact CB-CD1 4.22Å; I43-L62 HydrophobicContact CD1-CB 4.03Å; I43-L62 HydrophobicContact CG2-CB 4.27Å; T50-L62 HydrophobicContact CG2-CB 4.14Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.92Å; L62-Y72 WeakPolarHBondContact CA-O 3.47Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.67Å; L62-M73 HydrophobicContact CD2-SD 4.28Å |
| 63 | T | 98.1 | Very high | 96.3 | Very high | 58 Ų | 58 | 56.1 Ų | 56.1 | 36% | 0.356 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 162.3 | 177.3 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | T61 Y72 | T61-T63 HydrophobicContact CG2-CG2 4.34Å; T63-Y72 PolarHBondContact N-O 2.02Å; T63-Y72 PolarHBondContact O-N 3.21Å |
| 64 | V | 97.9 | Very high | 96.4 | Very high | 29 Ų | 29 | 58.1 Ų | 58.1 | 18% | 0.176 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.5 | 177 | -68.4 | 0 | 0 | 0 | 0 | 110.6 | F21 I43 P45 S48 A71 | F21-V64 HydrophobicContact CE1-CB 4.38Å; F21-V64 HydrophobicContact CZ-CB 4.38Å; F21-V64 HydrophobicContact CZ-CG1 4.08Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.41Å; I43-V64 HydrophobicContact CG1-CG1 3.95Å; I43-V64 HydrophobicContact CG2-CG1 3.98Å; P45-V64 HydrophobicContact CB-CB 4.46Å; P45-V64 HydrophobicContact CB-CG1 4.02Å; P45-V64 HydrophobicContact CG-CG1 4.2Å; S48-V64 WeakPolarHBondContact OG-CG2 3.19Å; V64-A71 HydrophobicContact CG1-CB 4.19Å |
| 65 | D | 97 | Very high | 96.5 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 107.6 | 164.7 | 174.1 | 10.5 | 0 | 0 | 0 | 108.3 | S67 S68 S69 T70 Y72 | D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.92Å; D65-S67 WeakPolarHBondContact OD1-CB 3.12Å; D65-S67 PolarHBondContact OD1-N 3.09Å; D65-S67 PolarHBondContact OD1-OG 2.86Å; D65-S67 PolarHBondContact OD2-OG 2.83Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.01Å; D65-S68 PolarHBondContact OD2-OG 2.86Å; D65-S69 PolarHBondContact O-N 2.85Å; D65-S69 VanDerWaalsContact O-N 3.12Å; D65-T70 PolarHBondContact N-O 2.98Å; D65-T70 PolarHBondContact O-N 2.97Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å |
| 66 | K | 95.3 | Very high | 96.6 | Very high | 108 Ų | 108 | 45.9 Ų | 45.9 | 47% | 0.47 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -29.2 | -178.1 | -55.8 | -176.4 | -160.7 | -177.7 | 0 | 111.8 | T22 P45 S46 S68 S69 | T22-K66 HydrophobicContact CG2-CD 4.49Å; P45-K66 WeakPolarHBondContact O-CE 3.35Å; S46-K66 PolarHBondContact O-NZ 2.79Å; K66-S68 VanDerWaalsContact C-N 3.35Å; K66-S68 PolarHBondContact O-N 2.81Å; K66-S69 PolarHBondContact O-N 2.97Å |
| 67 | S | 94.8 | Very high | 96.6 | Very high | 111 Ų | 111 | 49 Ų | 49 | 78% | 0.776 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -37.7 | -177.5 | 72.8 | 0 | 0 | 0 | 0 | 111.9 | D65 | D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.92Å; D65-S67 WeakPolarHBondContact OD1-CB 3.12Å; D65-S67 PolarHBondContact OD1-N 3.09Å; D65-S67 PolarHBondContact OD1-OG 2.86Å; D65-S67 PolarHBondContact OD2-OG 2.83Å |
| 68 | S | 96.2 | Very high | 96.8 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 26% | 0.259 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -0.8 | 177.4 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | D65 K66 T70 | D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.01Å; D65-S68 PolarHBondContact OD2-OG 2.86Å; K66-S68 VanDerWaalsContact C-N 3.35Å; K66-S68 PolarHBondContact O-N 2.81Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 2.84Å; S68-T70 PolarHBondContact O-OG1 2.86Å; S68-T70 WeakPolarHBondContact OG-CB 3.26Å; S68-T70 PolarHBondContact OG-OG1 2.98Å |
| 69 | S | 96.4 | Very high | 96.9 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 43.5 | -171.7 | -62 | 0 | 0 | 0 | 0 | 112.8 | A16 D65 K66 | A16-S69 WeakPolarHBondContact CB-O 3.37Å; A16-S69 PolarHBondContact N-O 2.8Å; D65-S69 PolarHBondContact O-N 2.85Å; D65-S69 VanDerWaalsContact O-N 3.12Å; K66-S69 PolarHBondContact O-N 2.97Å |
| 70 | T | 97.6 | Very high | 96.9 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129 | -174.7 | -52.1 | 0 | 0 | 0 | 0 | 110.9 | C14 D65 S68 Y72 | C14-T70 WeakPolarHBondContact O-CA 3.37Å; D65-T70 PolarHBondContact N-O 2.98Å; D65-T70 PolarHBondContact O-N 2.97Å; S68-T70 VanDerWaalsContact C-N 3.26Å; S68-T70 PolarHBondContact O-N 2.84Å; S68-T70 PolarHBondContact O-OG1 2.86Å; S68-T70 WeakPolarHBondContact OG-CB 3.26Å; S68-T70 PolarHBondContact OG-OG1 2.98Å; T70-Y72 HydrophobicContact CG2-CD1 4.18Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å |
| 71 | A | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 148.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | S13 C14 F21 M26 W28 V64 | S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.34Å; C14-A71 PolarHBondContact N-O 2.83Å; C14-A71 PolarHBondContact O-N 2.88Å; F21-A71 HydrophobicContact CE2-CB 4.26Å; F21-A71 HydrophobicContact CZ-CB 4.06Å; M26-A71 HydrophobicContact CB-CB 4.35Å; M26-A71 HydrophobicContact CE-CB 4.42Å; M26-A71 HydrophobicContact CG-CB 3.83Å; W28-A71 HydrophobicContact CZ2-CB 4.17Å; V64-A71 HydrophobicContact CG1-CB 4.19Å |
| 72 | Y | 98 | Very high | 96.5 | Very high | 49 Ų | 49 | 47.8 Ų | 47.8 | 19% | 0.192 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.8 | 177.5 | -55.3 | -87.5 | 0 | 0 | 0 | 111.4 | K11 V12 S13 L62 T63 D65 T70 | K11-Y72 HydrophobicContact CD-CD1 4.25Å; K11-Y72 VanDerWaalsContact CE-CB 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.26Å; V12-Y72 CarbonylContact O-C 3.55Å; V12-Y72 VanDerWaalsContact O-CA 3.25Å; V12-Y72 WeakPolarHBondContact O-CA 3.36Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å; L62-Y72 WeakPolarHBondContact CA-O 3.47Å; T63-Y72 PolarHBondContact N-O 2.02Å; T63-Y72 PolarHBondContact O-N 3.21Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å; T70-Y72 HydrophobicContact CG2-CD1 4.18Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å |
| 73 | M | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 118.7 | 168.2 | 175.1 | -179.7 | 68.7 | 0 | 0 | 108.5 | V12 W28 I40 A60 T61 L62 L75 Y86 | V12-M73 HydrophobicContact CB-CE 4.37Å; V12-M73 HydrophobicContact CG2-CE 4.27Å; V12-M73 PolarHBondContact N-O 3.44Å; V12-M73 PolarHBondContact O-N 2.8Å; W28-M73 HydrophobicContact CB-SD 3.94Å; W28-M73 HydrophobicContact CD2-CB 3.67Å; W28-M73 HydrophobicContact CD2-CE 4.4Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.08Å; W28-M73 HydrophobicContact CE3-CB 3.82Å; W28-M73 HydrophobicContact CE3-CE 3.73Å; W28-M73 HydrophobicContact CE3-SD 4.01Å; W28-M73 HydrophobicContact CG-CB 4.23Å; W28-M73 HydrophobicContact CG-SD 4.08Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.92Å; W28-M73 HydrophobicContact CZ3-CB 4.01Å; W28-M73 HydrophobicContact CZ3-CE 4.18Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.5Å; I40-M73 WeakPolarHBondContact CD1-SD 3.45Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; A60-M73 HydrophobicContact CB-CG 4.35Å; A60-M73 HydrophobicContact CB-SD 4.49Å; T61-M73 WeakPolarHBondContact O-CA 3.3Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.67Å; L62-M73 HydrophobicContact CD2-SD 4.28Å; M73-L75 HydrophobicContact CE-CD1 4.02Å; M73-L75 HydrophobicContact CE-CD2 4.31Å; M73-L75 HydrophobicContact CE-CG 4.13Å; M73-L75 HydrophobicContact CG-CD2 4.37Å; M73-L75 HydrophobicContact CG-CG 4.38Å; M73-L75 HydrophobicContact SD-CD2 4.13Å; M73-L75 HydrophobicContact SD-CG 4.46Å; M73-Y86 HydrophobicContact CE-CD1 3.49Å; M73-Y86 VanDerWaalsContact CE-CD1 3.49Å; M73-Y86 HydrophobicContact CE-CE1 4.28Å; M73-Y86 HydrophobicContact CE-CG 3.9Å |
| 74 | Q | 97.9 | Very high | 96.3 | Very high | 88 Ų | 88 | 46.4 Ų | 46.4 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 123.7 | 170.3 | -174.9 | 174.4 | 8.5 | 0 | 0 | 109 | V10 A60 T61 | V10-Q74 CarbonylContact O-C 3.6Å; V10-Q74 WeakPolarHBondContact O-CA 3.24Å; A60-Q74 CarbonylContact C-O 3.54Å; A60-Q74 WeakPolarHBondContact CA-O 3.12Å; T61-Q74 PolarHBondContact N-O 2.88Å; T61-Q74 PolarHBondContact O-N 3.46Å |
| 75 | L | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129.1 | 171.7 | -62.3 | 164.5 | 0 | 0 | 0 | 108.5 | S9 V10 K59 A60 M73 L78 Y86 | S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3.45Å; S9-L75 VanDerWaalsContact CB-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; V10-L75 HydrophobicContact CG1-CB 4.16Å; V10-L75 HydrophobicContact CG1-CD1 4.12Å; V10-L75 PolarHBondContact N-O 3.3Å; V10-L75 PolarHBondContact O-N 3.48Å; K59-L75 WeakPolarHBondContact O-CA 3.42Å; A60-L75 HydrophobicContact CB-CD2 3.98Å; M73-L75 HydrophobicContact CE-CD1 4.02Å; M73-L75 HydrophobicContact CE-CD2 4.31Å; M73-L75 HydrophobicContact CE-CG 4.13Å; M73-L75 HydrophobicContact CG-CD2 4.37Å; M73-L75 HydrophobicContact CG-CG 4.38Å; M73-L75 HydrophobicContact SD-CD2 4.13Å; M73-L75 HydrophobicContact SD-CG 4.46Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CB-CG 4.47Å; L75-L78 HydrophobicContact CD1-CD2 4.25Å; L75-Y86 HydrophobicContact CD1-CD1 3.95Å; L75-Y86 HydrophobicContact CD1-CD2 4.25Å; L75-Y86 HydrophobicContact CD1-CE1 3.5Å; L75-Y86 HydrophobicContact CD1-CE2 3.87Å; L75-Y86 HydrophobicContact CD1-CG 4.27Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.46Å; L75-Y86 HydrophobicContact CD2-CE1 4.39Å |
| 76 | S | 96.6 | Very high | 96.3 | Very high | 35 Ų | 35 | 44.5 Ų | 44.5 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | trans | -104.6 | 156.9 | -179.1 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | S9 K59 L78 | S9-S76 WeakPolarHBondContact OG-CA 3.26Å; K59-S76 VanDerWaalsContact CD-O 3.22Å; K59-S76 WeakPolarHBondContact CD-O 3.01Å; K59-S76 WeakPolarHBondContact CE-O 3.01Å; K59-S76 PolarHBondContact NZ-O 2.81Å; K59-S76 PolarHBondContact O-N 2.92Å; K59-S76 PolarHBondContact O-OG 2.86Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.88Å | ||
| 77 | S | 95.8 | Very high | 96.4 | Very high | 77 Ų | 77 | 39.9 Ų | 39.9 | 54% | 0.538 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 48.1 | 50.2 | 171.2 | -57.2 | 0 | 0 | 0 | 0 | 113.6 | A8 K59 | A8-S77 PolarHBondContact O-N 2.89Å; K59-S77 PolarHBondContact NZ-O 3.12Å |
| 78 | L | 96.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | trans | -61.3 | 141.5 | -171 | -71.1 | 171 | 0 | 0 | 0 | 112.9 | V4 P6 G7 A8 V10 L75 S76 D82 V104 V106 | V4-L78 HydrophobicContact CG2-CD1 3.58Å; P6-L78 CarbonylContact C-O 3.55Å; P6-L78 WeakPolarHBondContact CA-O 2.99Å; G7-L78 PolarHBondContact N-O 2.88Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 WeakPolarHBondContact O-CG 3.47Å; A8-L78 PolarHBondContact O-N 2.79Å; V10-L78 HydrophobicContact CB-CD1 4Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CB-CG 4.47Å; L75-L78 HydrophobicContact CD1-CD2 4.25Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.88Å; L78-D82 WeakPolarHBondContact CA-OD2 3.29Å; L78-D82 HydrophobicContact CD2-CB 3.55Å; L78-V104 HydrophobicContact CD1-CG1 4.41Å; L78-V106 HydrophobicContact CB-CG1 4.3Å; L78-V106 HydrophobicContact CB-CG2 3.96Å; L78-V106 HydrophobicContact CD1-CG2 4.35Å | ||
| 79 | T | 95.6 | Very high | 96.6 | Very high | 61 Ų | 61 | 33.9 Ų | 33.9 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | trans | -117.2 | 170.3 | 173.3 | 68.4 | 0 | 0 | 0 | 0 | 110.5 | E81 D82 V106 | T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-D82 PolarHBondContact N-OD2 3.02Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 3Å; T79-D82 PolarHBondContact OG1-OD2 2.87Å; T79-V106 WeakPolarHBondContact O-CB 3.4Å; T79-V106 WeakPolarHBondContact O-CG2 3.25Å | ||
| 80 | S | 94.1 | Very high | 96.5 | Very high | 86 Ų | 86 | 32.5 Ų | 32.5 | 60% | 0.601 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -54.2 | -33.9 | 176 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | D82 S83 | S80-D82 PolarHBondContact O-N 3.5Å; S80-S83 WeakPolarHBondContact O-CB 3.29Å; S80-S83 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 3.41Å |
| 81 | E | 92.6 | Very high | 96.1 | Very high | 134 Ų | 134 | 34.9 Ų | 34.9 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -67.2 | -13.8 | 176.4 | -60.1 | -174.1 | 179.6 | 0 | 0 | 114.1 | K30 R32 T79 S83 | K30-E81 PolarHBondContact NZ-O 3.23Å; R32-E81 VanDerWaalsContact CZ-O 3.28Å; R32-E81 PolarHBondContact NE-O 2.69Å; R32-E81 PolarHBondContact NH2-O 2.91Å; T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.16Å; E81-S83 VanDerWaalsContact C-N 3.3Å |
| 82 | D | 94.9 | Very high | 95.6 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 6% | 0.064 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -85.1 | -3 | 174.2 | -63.4 | -46.4 | 0 | 0 | 0 | 113.5 | K30 K59 L78 T79 S80 A84 Y86 V106 | K30-D82 IonicContact NZ-OD1 3.18Å; K30-D82 PolarHBondContact NZ-OD1 2.89Å; K30-D82 VanDerWaalsContact NZ-OD1 3.14Å; K59-D82 WeakPolarHBondContact CE-OD2 3.41Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 3.08Å; L78-D82 WeakPolarHBondContact CA-OD2 3.29Å; L78-D82 HydrophobicContact CD2-CB 3.55Å; T79-D82 PolarHBondContact N-OD2 3.02Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 3Å; T79-D82 PolarHBondContact OG1-OD2 2.87Å; S80-D82 PolarHBondContact O-N 3.5Å; D82-A84 PolarHBondContact O-N 2.8Å; D82-A84 VanDerWaalsContact O-N 3.14Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.27Å; D82-Y86 PolarHBondContact O-OH 2.73Å; D82-V106 HydrophobicContact CB-CG2 4.33Å |
| 83 | S | 96.3 | Very high | 94.9 | Very high | 37 Ų | 37 | 40.8 Ų | 40.8 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | trans | -65.4 | 112.5 | 172.2 | -56.1 | 0 | 0 | 0 | 0 | 110.5 | S80 E81 V104 V106 | S80-S83 WeakPolarHBondContact O-CB 3.29Å; S80-S83 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 3.41Å; E81-S83 VanDerWaalsContact C-N 3.3Å; S83-V104 CarbonylContact C-O 3.45Å; S83-V104 VanDerWaalsContact CA-O 3.24Å; S83-V104 WeakPolarHBondContact CA-O 3.42Å; S83-V106 PolarHBondContact OG-N 3.43Å | ||
| 84 | A | 97.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168 | 167.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K30 Q31 R32 D82 Y86 V104 | K30-A84 HydrophobicContact CD-CB 4.27Å; K30-A84 HydrophobicContact CG-CB 3.57Å; Q31-A84 WeakPolarHBondContact O-CB 3.5Å; R32-A84 HydrophobicContact CG-CB 3.99Å; D82-A84 PolarHBondContact O-N 2.8Å; D82-A84 VanDerWaalsContact O-N 3.14Å; A84-Y86 HydrophobicContact CB-CD2 4.41Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-V104 PolarHBondContact N-O 3.03Å; A84-V104 PolarHBondContact O-N 2.95Å |
| 85 | V | 97.5 | Very high | 93.7 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 25% | 0.248 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 126.4 | 162.8 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | Q31 L103 | Q31-V85 HydrophobicContact CB-CB 4.45Å; Q31-V85 PolarHBondContact N-O 3.16Å; Q31-V85 PolarHBondContact O-N 3.11Å; V85-L103 HydrophobicContact CG2-CB 4.42Å; V85-L103 HydrophobicContact CG2-CD1 4.08Å |
| 86 | Y | 97.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119 | 176.7 | -67.9 | -86.2 | 0 | 0 | 0 | 109.7 | V29 K30 I40 M73 L75 D82 A84 G101 T102 V104 | V29-Y86 WeakPolarHBondContact O-CA 3.43Å; K30-Y86 HydrophobicContact CB-CD1 4.09Å; K30-Y86 HydrophobicContact CB-CE1 3.82Å; K30-Y86 HydrophobicContact CD-CE1 3.89Å; K30-Y86 WeakPolarHBondContact CE-OH 3.18Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.67Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.94Å; M73-Y86 HydrophobicContact CE-CD1 3.49Å; M73-Y86 VanDerWaalsContact CE-CD1 3.49Å; M73-Y86 HydrophobicContact CE-CE1 4.28Å; M73-Y86 HydrophobicContact CE-CG 3.9Å; L75-Y86 HydrophobicContact CD1-CD1 3.95Å; L75-Y86 HydrophobicContact CD1-CD2 4.25Å; L75-Y86 HydrophobicContact CD1-CE1 3.5Å; L75-Y86 HydrophobicContact CD1-CE2 3.87Å; L75-Y86 HydrophobicContact CD1-CG 4.27Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.46Å; L75-Y86 HydrophobicContact CD2-CE1 4.39Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.27Å; D82-Y86 PolarHBondContact O-OH 2.73Å; A84-Y86 HydrophobicContact CB-CD2 4.41Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; Y86-G101 CarbonylContact O-C 3.52Å; Y86-G101 VanDerWaalsContact O-CA 3.29Å; Y86-G101 WeakPolarHBondContact O-CA 3.47Å; Y86-T102 PolarHBondContact N-O 3.01Å; Y86-T102 PolarHBondContact O-N 3.01Å; Y86-V104 HydrophobicContact CD2-CB 3.92Å; Y86-V104 HydrophobicContact CD2-CG2 3.64Å; Y86-V104 HydrophobicContact CE2-CB 3.82Å; Y86-V104 HydrophobicContact CE2-CG2 4Å |
| 87 | S | 97.3 | Very high | 93.2 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 8% | 0.077 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 146 | -175.3 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | V29 G101 | V29-S87 PolarHBondContact N-O 3.14Å; V29-S87 PolarHBondContact O-N 2.93Å; S87-G101 WeakPolarHBondContact OG-CA 3.41Å |
| 88 | C | 97.1 | Very high | 93.2 | Very high | 12 Ų | 12 | 58 Ų | 58 | 8% | 0.081 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 154.8 | 166 | 59.5 | 0 | 0 | 0 | 0 | 110.6 | C14 M26 H27 W28 G99 | C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.47Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.48Å; M26-C88 HydrophobicContact CG-CB 4.33Å; M26-C88 HydrophobicContact SD-CB 3.7Å; H27-C88 CarbonylContact O-C 3.55Å; H27-C88 WeakPolarHBondContact O-CA 3.22Å; W28-C88 HydrophobicContact CE3-CB 4.34Å; W28-C88 HydrophobicContact CH2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.32Å; C88-G99 PolarHBondContact O-N 3.18Å |
| 89 | A | 96.4 | Very high | 93.1 | Very high | 10 Ų | 10 | 59.3 Ų | 59.3 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 152.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | H27 Y97 W98 | H27-A89 HydrophobicContact CB-CB 4.4Å; H27-A89 WeakPolarHBondContact CB-O 3.36Å; H27-A89 PolarHBondContact N-O 3.18Å; H27-A89 PolarHBondContact O-N 2.87Å; A89-Y97 CarbonylContact C-O 3.58Å; A89-Y97 WeakPolarHBondContact CA-O 3.45Å; A89-W98 HydrophobicContact CB-CD2 3.8Å; A89-W98 HydrophobicContact CB-CE3 3.77Å; A89-W98 HydrophobicContact CB-CG 4.37Å; A89-W98 HydrophobicContact CB-CH2 4.28Å; A89-W98 HydrophobicContact CB-CZ2 4.31Å; A89-W98 HydrophobicContact CB-CZ3 4.02Å |
| 90 | I | 94.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 66.3 Ų | 66.3 | 8% | 0.077 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 154.4 | 172.6 | 62.7 | 179.2 | 0 | 0 | 0 | 109.8 | Y19 M26 L92 A96 Y97 | Y19-I90 HydrophobicContact CD1-CD1 3.79Å; Y19-I90 HydrophobicContact CD2-CD1 4.47Å; Y19-I90 HydrophobicContact CE1-CD1 3.31Å; Y19-I90 HydrophobicContact CE2-CD1 4.05Å; Y19-I90 HydrophobicContact CG-CD1 4.36Å; Y19-I90 VanDerWaalsContact CZ-CD1 3.45Å; M26-I90 HydrophobicContact CE-CG2 3.9Å; M26-I90 HydrophobicContact SD-CG2 3.59Å; M26-I90 VanDerWaalsContact SD-CG2 3.59Å; I90-L92 HydrophobicContact CD1-CD1 3.58Å; I90-L92 HydrophobicContact CD1-CD2 4.14Å; I90-L92 HydrophobicContact CD1-CG 3.75Å; I90-L92 HydrophobicContact CG1-CD1 4.37Å; I90-L92 HydrophobicContact CG1-CG 4.12Å; I90-A96 CarbonylContact O-C 3.57Å; I90-A96 WeakPolarHBondContact O-CA 3.34Å; I90-Y97 HydrophobicContact CG1-CD2 4.39Å; I90-Y97 PolarHBondContact N-O 3.12Å; I90-Y97 PolarHBondContact O-N 3.34Å |
| 91 | A | 90.1 | Very high | 93 | Very high | 60 Ų | 60 | 63.5 Ų | 63.5 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 115.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y24 R95 | Y24-A91 WeakPolarHBondContact CD1-O 3.4Å; A91-R95 CarbonylContact C-O 3.58Å; A91-R95 WeakPolarHBondContact CA-O 3.47Å |
| 92 | L | 86.6 | Confident | 93.2 | Very high | 22 Ų | 22 | 58.9 Ų | 58.9 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.3 | 174.4 | -52.7 | 172.8 | 0 | 0 | 0 | 108.3 | Y19 Y24 I90 G94 R95 Y97 | Y19-L92 HydrophobicContact CD1-CD1 4.33Å; Y19-L92 HydrophobicContact CD2-CD2 4.43Å; Y19-L92 HydrophobicContact CG-CD1 4.28Å; Y24-L92 HydrophobicContact CD1-CD2 3.63Å; Y24-L92 HydrophobicContact CD2-CD2 3.33Å; Y24-L92 HydrophobicContact CE1-CD2 3.55Å; Y24-L92 HydrophobicContact CE2-CD2 3.24Å; Y24-L92 HydrophobicContact CG-CD2 3.52Å; I90-L92 HydrophobicContact CD1-CD1 3.58Å; I90-L92 HydrophobicContact CD1-CD2 4.14Å; I90-L92 HydrophobicContact CD1-CG 3.75Å; I90-L92 HydrophobicContact CG1-CD1 4.37Å; I90-L92 HydrophobicContact CG1-CG 4.12Å; L92-G94 PolarHBondContact O-N 3.33Å; L92-G94 VanDerWaalsContact O-N 3.12Å; L92-R95 PolarHBondContact N-O 2.97Å; L92-R95 PolarHBondContact O-N 3.13Å; L92-Y97 HydrophobicContact CB-CD2 4.06Å; L92-Y97 HydrophobicContact CB-CE2 3.75Å; L92-Y97 HydrophobicContact CD1-CD2 3.91Å; L92-Y97 HydrophobicContact CD1-CE2 3.97Å; L92-Y97 HydrophobicContact CG-CD2 4.03Å; L92-Y97 HydrophobicContact CG-CE2 4.16Å |
| 93 | D | 84.4 | Confident | 93.3 | Very high | 152 Ų | 152 | 62 Ų | 62 | 81% | 0.813 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 41.1 | 174.6 | -53.1 | -38 | 0 | 0 | 0 | 114 | R95 | D93-R95 VanDerWaalsContact C-N 3.26Å; D93-R95 PolarHBondContact O-N 3.4Å |
| 94 | G | 82.3 | Confident | 93.3 | Very high | 84 Ų | 84 | 60.3 Ų | 60.3 | 87% | 0.866 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 3.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L92 | L92-G94 PolarHBondContact O-N 3.33Å; L92-G94 VanDerWaalsContact O-N 3.12Å |
| 95 | R | 87.6 | Confident | 93.3 | Very high | 173 Ų | 173 | 62.7 Ų | 62.7 | 65% | 0.653 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 139.2 | 174.5 | -63.8 | -178.2 | -179 | 175.9 | 0.7 | 111.3 | A91 L92 D93 Y97 | A91-R95 CarbonylContact C-O 3.58Å; A91-R95 WeakPolarHBondContact CA-O 3.47Å; L92-R95 PolarHBondContact N-O 2.97Å; L92-R95 PolarHBondContact O-N 3.13Å; D93-R95 VanDerWaalsContact C-N 3.26Å; D93-R95 PolarHBondContact O-N 3.4Å; R95-Y97 HydrophobicContact CB-CD2 4.46Å; R95-Y97 HydrophobicContact CB-CE2 3.72Å |
| 96 | A | 90.6 | Very high | 93.2 | Very high | 67 Ų | 67 | 61.2 Ų | 61.2 | 55% | 0.554 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I90 | I90-A96 CarbonylContact O-C 3.57Å; I90-A96 WeakPolarHBondContact O-CA 3.34Å |
| 97 | Y | 92.8 | Very high | 93 | Very high | 108 Ų | 108 | 63.6 Ų | 63.6 | 42% | 0.424 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135 | 172.9 | -61.5 | -95.2 | 0 | 0 | 0 | 109 | A89 I90 L92 R95 | A89-Y97 CarbonylContact C-O 3.58Å; A89-Y97 WeakPolarHBondContact CA-O 3.45Å; I90-Y97 HydrophobicContact CG1-CD2 4.39Å; I90-Y97 PolarHBondContact N-O 3.12Å; I90-Y97 PolarHBondContact O-N 3.34Å; L92-Y97 HydrophobicContact CB-CD2 4.06Å; L92-Y97 HydrophobicContact CB-CE2 3.75Å; L92-Y97 HydrophobicContact CD1-CD2 3.91Å; L92-Y97 HydrophobicContact CD1-CE2 3.97Å; L92-Y97 HydrophobicContact CG-CD2 4.03Å; L92-Y97 HydrophobicContact CG-CE2 4.16Å; R95-Y97 HydrophobicContact CB-CD2 4.46Å; R95-Y97 HydrophobicContact CB-CE2 3.72Å |
| 98 | W | 94.6 | Very high | 92.3 | Very high | 130 Ų | 130 | 69.7 Ų | 69.7 | 49% | 0.492 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 140.4 | -174.5 | -67.7 | 81.1 | 0 | 0 | 0 | 110.6 | V29 L37 A89 | V29-W98 HydrophobicContact CB-CH2 4.3Å; V29-W98 HydrophobicContact CB-CZ3 3.85Å; V29-W98 HydrophobicContact CG1-CH2 4.25Å; V29-W98 HydrophobicContact CG1-CZ3 4.08Å; V29-W98 HydrophobicContact CG2-CH2 3.84Å; V29-W98 HydrophobicContact CG2-CZ3 3.72Å; L37-W98 HydrophobicContact CD1-CH2 3.96Å; L37-W98 HydrophobicContact CD1-CZ2 4.41Å; A89-W98 HydrophobicContact CB-CD2 3.8Å; A89-W98 HydrophobicContact CB-CE3 3.77Å; A89-W98 HydrophobicContact CB-CG 4.37Å; A89-W98 HydrophobicContact CB-CH2 4.28Å; A89-W98 HydrophobicContact CB-CZ2 4.31Å; A89-W98 HydrophobicContact CB-CZ3 4.02Å |
| 99 | G | 94.3 | Very high | 92.1 | Very high | 29 Ų | 29 | 72.6 Ų | 72.6 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | trans | -69.4 | 158.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111 | C88 G101 | C88-G99 PolarHBondContact O-N 3.18Å; G99-G101 PolarHBondContact O-N 3.5Å; G99-G101 VanDerWaalsContact O-N 3.09Å | ||
| 100 | Q | 92.8 | Very high | 91.8 | Very high | 207 Ų | 207 | 75.9 Ų | 75.9 | 97% | 0.967 | 45% | 0.451 | S | S | * | . | trans | -59.1 | -22.9 | 178.5 | -68.7 | -176 | -21.3 | 0 | 0 | 113.5 | ||||
| 101 | G | 94.6 | Very high | 91.7 | Very high | 28 Ų | 28 | 79.3 Ų | 79.3 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | trans | 83.7 | 154.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y86 S87 G99 | Y86-G101 CarbonylContact O-C 3.52Å; Y86-G101 VanDerWaalsContact O-CA 3.29Å; Y86-G101 WeakPolarHBondContact O-CA 3.47Å; S87-G101 WeakPolarHBondContact OG-CA 3.41Å; G99-G101 PolarHBondContact O-N 3.5Å; G99-G101 VanDerWaalsContact O-N 3.09Å | ||
| 102 | T | 96.7 | Very high | 91.8 | Very high | 36 Ų | 36 | 80.4 Ų | 80.4 | 22% | 0.221 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 115.8 | 177.4 | -62.8 | 0 | 0 | 0 | 0 | 108.6 | E2 V12 Y86 V104 | E2-T102 HydrophobicContact CG-CG2 4.21Å; V12-T102 HydrophobicContact CG1-CG2 4.42Å; Y86-T102 PolarHBondContact N-O 3.01Å; Y86-T102 PolarHBondContact O-N 3.01Å; T102-V104 HydrophobicContact CG2-CG2 4.37Å; T102-V104 PolarHBondContact O-N 2.63Å |
| 103 | L | 96.9 | Very high | 92.1 | Very high | 79 Ų | 79 | 84.1 Ų | 84.1 | 41% | 0.414 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 121.2 | 168.7 | 177.8 | 63.9 | 0 | 0 | 0 | 109.1 | A1 E2 V85 | A1-L103 CarbonylContact C-O 3.6Å; A1-L103 WeakPolarHBondContact CA-O 3.21Å; A1-L103 HydrophobicContact CB-CB 4.01Å; E2-L103 PolarHBondContact N-O 2.62Å; V85-L103 HydrophobicContact CG2-CB 4.42Å; V85-L103 HydrophobicContact CG2-CD1 4.08Å |
| 104 | V | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.7 | 168.9 | 177.8 | 0 | 0 | 0 | 0 | 107.2 | E2 V4 V10 V12 L78 S83 A84 Y86 T102 V106 | E2-V104 HydrophobicContact CB-CG2 4.3Å; E2-V104 CarbonylContact O-C 3.38Å; E2-V104 WeakPolarHBondContact O-CA 3.29Å; V4-V104 HydrophobicContact CG2-CG1 4.21Å; V10-V104 HydrophobicContact CG1-CG1 4.18Å; V10-V104 HydrophobicContact CG1-CG2 4.19Å; V12-V104 HydrophobicContact CG2-CG2 4.35Å; L78-V104 HydrophobicContact CD1-CG1 4.41Å; S83-V104 CarbonylContact C-O 3.45Å; S83-V104 VanDerWaalsContact CA-O 3.24Å; S83-V104 WeakPolarHBondContact CA-O 3.42Å; A84-V104 PolarHBondContact N-O 3.03Å; A84-V104 PolarHBondContact O-N 2.95Å; Y86-V104 HydrophobicContact CD2-CB 3.92Å; Y86-V104 HydrophobicContact CD2-CG2 3.64Å; Y86-V104 HydrophobicContact CE2-CB 3.82Å; Y86-V104 HydrophobicContact CE2-CG2 4Å; T102-V104 HydrophobicContact CG2-CG2 4.37Å; T102-V104 PolarHBondContact O-N 2.63Å; V104-V106 HydrophobicContact CG1-CG2 4.4Å |
| 105 | T | 96.9 | Very high | 93.3 | Very high | 52 Ų | 52 | 79.2 Ų | 79.2 | 32% | 0.319 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.3 | 176.9 | -58.7 | 0 | 0 | 0 | 0 | 108.8 | E2 L3 V4 | E2-T105 PolarHBondContact O-N 3.49Å; L3-T105 WeakPolarHBondContact CA-O 3.36Å; L3-T105 HydrophobicContact CD1-CG2 3.74Å; V4-T105 PolarHBondContact N-O 3.35Å |
| 106 | V | 96.1 | Very high | 93.8 | Very high | 9 Ų | 9 | 72 Ų | 72 | 6% | 0.055 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 108.4 | 178.5 | -170.3 | 0 | 0 | 0 | 0 | 108.7 | V4 P6 L78 T79 D82 S83 V104 | V4-V106 HydrophobicContact CG2-CB 4.44Å; V4-V106 HydrophobicContact CG2-CG2 3.87Å; V4-V106 WeakPolarHBondContact O-CA 3.31Å; P6-V106 HydrophobicContact CB-CG1 4.45Å; P6-V106 HydrophobicContact CG-CG1 4.18Å; L78-V106 HydrophobicContact CB-CG1 4.3Å; L78-V106 HydrophobicContact CB-CG2 3.96Å; L78-V106 HydrophobicContact CD1-CG2 4.35Å; T79-V106 WeakPolarHBondContact O-CB 3.4Å; T79-V106 WeakPolarHBondContact O-CG2 3.25Å; D82-V106 HydrophobicContact CB-CG2 4.33Å; S83-V106 PolarHBondContact OG-N 3.43Å; V104-V106 HydrophobicContact CG1-CG2 4.4Å |
| 107 | S | 93.9 | Very high | 94.1 | Very high | 52 Ų | 52 | 72.4 Ų | 72.4 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | trans | -138.5 | 150 | -179.7 | 68.6 | 0 | 0 | 0 | 0 | 111.6 | L3 V4 P6 | L3-S107 WeakPolarHBondContact CD1-OG 3.1Å; V4-S107 PolarHBondContact O-N 2.65Å; P6-S107 WeakPolarHBondContact CD-O 3.4Å | ||
| 108 | A | 82.3 | Confident | 94.2 | Very high | 139 Ų | 139 | 69.2 Ų | 69.2 | 100% | 1.149 | 42% | 0.415 | S | S | * | . | trans | -70.7 | 0 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 108 of 108 residues in 43.1 ms
(Link to these results)