X5J599_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J599, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

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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
1P56Low84Confident136 Ų13683.8 Ų83.888%0.88348%0.484SS*.  0129.6011.410.8000110.8T105P1-T105 WeakPolarHBondContact CB-OG1 3.49Å; P1-T105 WeakPolarHBondContact CG-OG1 3.46Å
2G72.2Confident84.9Confident41 Ų4177.8 Ų77.842%0.42345%0.449SS..  trans-172.4-170.7-16300000113.4V4G2-V4 PolarHBondContact O-N 3.32Å
3L80.9Confident85.8Confident128 Ų12877.2 Ų77.267%0.6745%0.447SS*.EExtended strand (participates in β ladder)trans-63.4122.5-179.2-161.667.8000110.6T108 S110L3-T108 CarbonylContact C-O 3.46Å; L3-T108 WeakPolarHBondContact CA-O 3.32Å; L3-T108 HydrophobicContact CD1-CG2 3.84Å; L3-S110 WeakPolarHBondContact CD1-OG 3.35Å
4V86.6Confident86.5Confident18 Ų1872.6 Ų72.611%0.10942%0.422CS..EExtended strand (participates in β ladder)trans-117.4142.9177-174.70000108.3G2 Q8 L10 V78 T108 V109 S110G2-V4 PolarHBondContact O-N 3.32Å; V4-Q8 HydrophobicContact CG1-CB 3.76Å; V4-L10 HydrophobicContact CG2-CD1 4.26Å; V4-V78 HydrophobicContact CG1-CG2 3.79Å; V4-T108 PolarHBondContact N-O 3.33Å; V4-V109 VanDerWaalsContact O-CA 3.27Å; V4-V109 WeakPolarHBondContact O-CA 3.27Å; V4-S110 PolarHBondContact O-N 3.16Å
5K87.3Confident87.1Confident144 Ų14472.4 Ų72.463%0.62643%0.426SS*.  trans-82.7150.8175-65.7-177.1179.6-178.10110.3Q8K5-Q8 HydrophobicContact CB-CG 4.2Å; K5-Q8 WeakPolarHBondContact O-CB 3.35Å; K5-Q8 WeakPolarHBondContact O-CG 3.37Å; K5-Q8 PolarHBondContact O-N 3Å
6P88.1Confident87.5Confident59 Ų5968.9 Ų68.938%0.38340%0.404SS..THydrogen-bonded Turntrans-51.8150171.5-26.334.2000112.7Q8 V78 V109P6-Q8 PolarHBondContact O-N 3.31Å; P6-V78 CarbonylContact C-O 3.6Å; P6-V78 WeakPolarHBondContact CA-O 3.46Å; P6-V109 HydrophobicContact CG-CG1 4.15Å
7S87.3Confident87.6Confident99 Ų9971.9 Ų71.969%0.69242%0.424SS*.THydrogen-bonded Turntrans67.33.2-178.4-50.20000115.8V78S7-V78 PolarHBondContact N-O 3.21Å
8Q89.6Confident87.5Confident96 Ų9672.8 Ų72.845%0.44945%0.451SS..  trans-82.1163.4170.5-64.9-172.7-3800111.3V4 K5 P6 S77 V78V4-Q8 HydrophobicContact CG1-CB 3.76Å; K5-Q8 HydrophobicContact CB-CG 4.2Å; K5-Q8 WeakPolarHBondContact O-CB 3.35Å; K5-Q8 WeakPolarHBondContact O-CG 3.37Å; K5-Q8 PolarHBondContact O-N 3Å; P6-Q8 PolarHBondContact O-N 3.31Å; Q8-S77 PolarHBondContact O-N 2.9Å; Q8-V78 WeakPolarHBondContact O-CG2 3.4Å; Q8-V78 PolarHBondContact O-N 3.48Å
9S90.7Very high87.6Confident75 Ų7571.8 Ų71.852%0.52444%0.439SS..  trans-89.3138168.2-65.20000110.1L75 N76S9-L75 CarbonylContact C-O 3.49Å; S9-L75 VanDerWaalsContact CA-O 3.3Å; S9-L75 WeakPolarHBondContact CA-O 3.25Å; S9-N76 PolarHBondContact OG-OD1 2.85Å; S9-N76 VanDerWaalsContact OG-OD1 3.14Å
10L91.2Very high87.8Confident15 Ų1571.7 Ų71.78%0.07944%0.44CS..EExtended strand (participates in β ladder)trans-108.3133.3173.7169.663.6000108.9V4 L12 Q74 L75 V78 V107V4-L10 HydrophobicContact CG2-CD1 4.26Å; L10-L12 HydrophobicContact CD1-CD2 3.88Å; L10-L12 HydrophobicContact CD1-CG 4.26Å; L10-L12 HydrophobicContact CD2-CD1 4.49Å; L10-L12 HydrophobicContact CD2-CG 4.46Å; L10-L12 HydrophobicContact CG-CD2 4.32Å; L10-L12 HydrophobicContact CG-CG 4.17Å; L10-Q74 CarbonylContact O-C 3.57Å; L10-Q74 WeakPolarHBondContact O-CA 3.36Å; L10-L75 HydrophobicContact CB-CB 4.34Å; L10-L75 HydrophobicContact CD2-CD1 4.05Å; L10-L75 HydrophobicContact CG-CD1 4.32Å; L10-L75 PolarHBondContact N-O 2.95Å; L10-L75 PolarHBondContact O-N 3.04Å; L10-V78 HydrophobicContact CB-CG1 3.76Å; L10-V107 HydrophobicContact CD1-CG1 4.39Å; L10-V107 HydrophobicContact CD1-CG2 4.37Å; L10-V107 HydrophobicContact CD2-CB 4.32Å; L10-V107 HydrophobicContact CD2-CG1 3.54Å; L10-V107 HydrophobicContact CD2-CG2 4.02Å
11F93.9Very high88Confident111 Ų11168.3 Ų68.349%0.48742%0.419SS..EExtended strand (participates in β ladder)trans-123.1122.1176.9-167.7-97.3000109.6F72 L73 Q74F11-F72 HydrophobicContact CD1-CD1 4.44Å; F11-F72 HydrophobicContact CE1-CB 4.08Å; F11-F72 AromaticContact CE1-CD1 3.29Å; F11-F72 HydrophobicContact CE1-CD1 3.29Å; F11-F72 AromaticContact CE1-CE1 3.92Å; F11-F72 HydrophobicContact CE1-CE1 3.92Å; F11-F72 AromaticContact CE1-CG 3.9Å; F11-F72 HydrophobicContact CE1-CG 3.9Å; F11-F72 HydrophobicContact CE2-CB 3.75Å; F11-F72 HydrophobicContact CE2-CD1 4.4Å; F11-F72 HydrophobicContact CE2-CG 4.18Å; F11-F72 HydrophobicContact CZ-CB 3.41Å; F11-F72 VanDerWaalsContact CZ-CB 3.41Å; F11-F72 AromaticContact CZ-CD1 3.27Å; F11-F72 HydrophobicContact CZ-CD1 3.27Å; F11-F72 HydrophobicContact CZ-CD2 4.21Å; F11-F72 HydrophobicContact CZ-CE1 4.04Å; F11-F72 AromaticContact CZ-CG 3.36Å; F11-F72 HydrophobicContact CZ-CG 3.36Å; F11-L73 WeakPolarHBondContact CA-O 3.33Å; F11-Q74 HydrophobicContact CD2-CB 4.14Å
12L95.6Very high89.7Confident12 Ų1264.8 Ų64.86%0.06340%0.395CS..EExtended strand (participates in β ladder)trans-116.3143178-60.3178.9000109.7L10 W29 F72 L73 Y86 T105 V107L10-L12 HydrophobicContact CD1-CD2 3.88Å; L10-L12 HydrophobicContact CD1-CG 4.26Å; L10-L12 HydrophobicContact CD2-CD1 4.49Å; L10-L12 HydrophobicContact CD2-CG 4.46Å; L10-L12 HydrophobicContact CG-CD2 4.32Å; L10-L12 HydrophobicContact CG-CG 4.17Å; L12-W29 HydrophobicContact CB-CH2 3.68Å; L12-W29 HydrophobicContact CB-CZ2 4.23Å; L12-W29 HydrophobicContact CB-CZ3 4.14Å; L12-W29 HydrophobicContact CD1-CZ3 4.21Å; L12-F72 CarbonylContact O-C 3.53Å; L12-F72 WeakPolarHBondContact O-CA 3.15Å; L12-L73 HydrophobicContact CB-CB 4.34Å; L12-L73 HydrophobicContact CD1-CD2 4.33Å; L12-L73 PolarHBondContact N-O 2.79Å; L12-L73 PolarHBondContact O-N 2.93Å; L12-Y86 HydrophobicContact CD1-CD1 3.66Å; L12-Y86 HydrophobicContact CD1-CD2 4.09Å; L12-Y86 HydrophobicContact CD1-CE1 4.38Å; L12-Y86 HydrophobicContact CD1-CG 3.48Å; L12-Y86 VanDerWaalsContact CD1-CG 3.48Å; L12-T105 HydrophobicContact CD1-CG2 4.31Å; L12-T105 HydrophobicContact CD2-CG2 4Å; L12-V107 HydrophobicContact CD2-CG2 4.12Å
13T96.4Very high90.4Very high69 Ų6964.6 Ų64.642%0.42339%0.387SS..EExtended strand (participates in β ladder)trans-120.9134.5-179.9-56.10000109.5Q70 F72T13-Q70 HydrophobicContact CG2-CB 4.27Å; T13-Q70 HydrophobicContact CG2-CG 3.98Å; T13-F72 HydrophobicContact CG2-CD1 3.76Å; T13-F72 HydrophobicContact CG2-CE1 3.47Å; T13-F72 VanDerWaalsContact CG2-CE1 3.47Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.04Å
14C95.8Very high90.8Very high14 Ų1459.4 Ų59.410%0.09537%0.365CS..EExtended strand (participates in β ladder)trans-117.2125.4166.2-174.30000109.4W29 Q70 F71 C88C14-W29 HydrophobicContact CB-CH2 4.06Å; C14-W29 HydrophobicContact CB-CZ2 3.94Å; C14-Q70 VanDerWaalsContact O-CA 3.29Å; C14-Q70 WeakPolarHBondContact O-CA 3.02Å; C14-F71 HydrophobicContact CB-CD1 3.86Å; C14-F71 HydrophobicContact CB-CE1 3.48Å; C14-F71 VanDerWaalsContact CB-CE1 3.48Å; C14-F71 HydrophobicContact CB-CE2 4.45Å; C14-F71 HydrophobicContact CB-CZ 3.83Å; C14-F71 PolarHBondContact N-O 3.47Å; C14-F71 PolarHBondContact O-N 2.81Å; C14-F71 VanDerWaalsContact SG-CE1 3.5Å; C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.13Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 2.77Å
15S95.3Very high90.9Very high69 Ų6960.1 Ų60.148%0.48337%0.366SS..EExtended strand (participates in β ladder)trans-101.8126.8177.3-56.30000109.4Q70S15-Q70 WeakPolarHBondContact OG-CG 3.19Å; S15-Q70 PolarHBondContact OG-NE2 2.91Å
16I92.4Very high91.2Very high16 Ų1656.1 Ų56.18%0.08235%0.348CS..  trans-91.6139.5178.8-63.2151.2000108.5F19 I21 W27 N69 F71I16-F19 HydrophobicContact CG2-CD2 4.25Å; I16-F19 HydrophobicContact CG2-CE2 4.02Å; I16-F19 HydrophobicContact CG2-CZ 4.21Å; I16-I21 HydrophobicContact CD1-CB 3.72Å; I16-I21 HydrophobicContact CD1-CD1 3.55Å; I16-I21 HydrophobicContact CD1-CG1 3.38Å; I16-W27 HydrophobicContact CB-CH2 4.28Å; I16-W27 HydrophobicContact CD1-CD2 3.57Å; I16-W27 VanDerWaalsContact CD1-CE2 3.44Å; I16-W27 HydrophobicContact CD1-CE3 3.69Å; I16-W27 HydrophobicContact CD1-CG 4.32Å; I16-W27 HydrophobicContact CD1-CH2 3.46Å; I16-W27 VanDerWaalsContact CD1-CH2 3.46Å; I16-W27 HydrophobicContact CD1-CZ2 3.4Å; I16-W27 HydrophobicContact CD1-CZ3 3.64Å; I16-W27 HydrophobicContact CG1-CD2 4.45Å; I16-W27 HydrophobicContact CG1-CE3 4.08Å; I16-W27 HydrophobicContact CG1-CH2 3.66Å; I16-W27 HydrophobicContact CG1-CZ2 4.12Å; I16-W27 HydrophobicContact CG1-CZ3 3.67Å; I16-W27 HydrophobicContact CG2-CH2 3.61Å; I16-W27 HydrophobicContact CG2-CZ2 4.14Å; I16-W27 HydrophobicContact CG2-CZ3 4.32Å; I16-N69 PolarHBondContact N-O 2.86Å; I16-N69 PolarHBondContact O-ND2 3.34Å; I16-F71 HydrophobicContact CD1-CD1 3.97Å; I16-F71 HydrophobicContact CD1-CE1 4.15Å; I16-F71 HydrophobicContact CG1-CD1 4.46Å; I16-F71 HydrophobicContact CG1-CE1 4.32Å
17T89.6Confident91.5Very high121 Ų12153.5 Ų53.574%0.74233%0.33SS*.  trans-125.8151178.359.30000109.6F19T17-F19 VanDerWaalsContact C-N 3.34Å; T17-F19 PolarHBondContact O-N 3.17Å
18G86.8Confident91.9Very high87 Ų8749.1 Ų49.190%0.89730%0.299SS*.SBendtrans90.8-27.4178.500000115.3
19F88.4Confident92.2Very high54 Ų5444.8 Ų44.824%0.23728%0.278CS..SBendtrans-158162.8179.354.4-89.1000112.9I16 T17 Y25 W27 N69 V100I16-F19 HydrophobicContact CG2-CD2 4.25Å; I16-F19 HydrophobicContact CG2-CE2 4.02Å; I16-F19 HydrophobicContact CG2-CZ 4.21Å; T17-F19 VanDerWaalsContact C-N 3.34Å; T17-F19 PolarHBondContact O-N 3.17Å; F19-Y25 HydrophobicContact CD2-CD2 4.08Å; F19-Y25 AromaticContact CD2-CE2 3.68Å; F19-Y25 HydrophobicContact CD2-CE2 3.68Å; F19-Y25 HydrophobicContact CE1-CE2 4.42Å; F19-Y25 AromaticContact CE2-CD2 3.39Å; F19-Y25 HydrophobicContact CE2-CD2 3.39Å; F19-Y25 HydrophobicContact CE2-CE1 4.35Å; F19-Y25 AromaticContact CE2-CE2 3.07Å; F19-Y25 HydrophobicContact CE2-CE2 3.07Å; F19-Y25 HydrophobicContact CE2-CG 4.15Å; F19-Y25 AromaticContact CE2-CZ 3.63Å; F19-Y25 HydrophobicContact CZ-CD2 4.13Å; F19-Y25 HydrophobicContact CZ-CE1 4.14Å; F19-Y25 AromaticContact CZ-CE2 3.53Å; F19-Y25 HydrophobicContact CZ-CE2 3.53Å; F19-Y25 AromaticContact CZ-CZ 3.53Å; F19-W27 HydrophobicContact CD2-CH2 4.37Å; F19-W27 HydrophobicContact CD2-CZ2 4.4Å; F19-W27 AromaticContact CE2-CH2 3.3Å; F19-W27 HydrophobicContact CE2-CH2 3.3Å; F19-W27 AromaticContact CE2-CZ2 3.6Å; F19-W27 HydrophobicContact CE2-CZ2 3.6Å; F19-W27 AromaticContact CZ-CH2 3.66Å; F19-W27 HydrophobicContact CZ-CH2 3.66Å; F19-W27 HydrophobicContact CZ-CZ2 4.4Å; F19-N69 PolarHBondContact O-ND2 3.38Å; F19-V100 HydrophobicContact CE1-CG2 4.33Å; F19-V100 HydrophobicContact CZ-CG2 4.02Å
20P91.8Very high92.5Very high70 Ų7041.7 Ų41.746%0.45526%0.256SS..  trans-65145.4177.8-22.133.7000113.7T22 S23 N69P20-T22 PolarHBondContact O-N 3.36Å; P20-T22 VanDerWaalsContact O-N 3.12Å; P20-S23 WeakPolarHBondContact O-CB 3.47Å; P20-S23 PolarHBondContact O-N 3.17Å; P20-S23 PolarHBondContact O-OG 2.92Å; P20-S23 VanDerWaalsContact O-OG 3.04Å; P20-N69 WeakPolarHBondContact CA-OD1 3.45Å
21I92.3Very high92.7Very high0 Ų041.9 Ų41.90%026%0.255CS..THydrogen-bonded Turntrans-64.2-16.7174.5-169.7164.5000112.8I16 W27 R64 T66 N69 Q70 F71I16-I21 HydrophobicContact CD1-CB 3.72Å; I16-I21 HydrophobicContact CD1-CD1 3.55Å; I16-I21 HydrophobicContact CD1-CG1 3.38Å; I21-W27 HydrophobicContact CG1-CD2 4.49Å; I21-W27 HydrophobicContact CG1-CG 4.32Å; I21-W27 PolarHBondContact O-NE1 3.42Å; I21-R64 HydrophobicContact CD1-CB 4.05Å; I21-T66 HydrophobicContact CG2-CG2 4.05Å; I21-N69 WeakPolarHBondContact CB-OD1 3.32Å; I21-N69 PolarHBondContact N-OD1 2.89Å; I21-Q70 VanDerWaalsContact CD1-C 3.43Å; I21-Q70 VanDerWaalsContact CD1-O 3.26Å; I21-Q70 WeakPolarHBondContact CD1-O 3.26Å; I21-F71 HydrophobicContact CD1-CB 3.87Å; I21-F71 HydrophobicContact CD1-CD1 4.18Å; I21-F71 HydrophobicContact CD1-CG 4.45Å
22T92.4Very high92.8Very high63 Ų6340 Ų4039%0.38725%0.248SC..THydrogen-bonded Turntrans-90.80.1174.155.80000112.9P20 T66P20-T22 PolarHBondContact O-N 3.36Å; P20-T22 VanDerWaalsContact O-N 3.12Å; T22-T66 HydrophobicContact CG2-CG2 3.71Å
23S86.5Confident92.7Very high36 Ų3640.2 Ų40.225%0.25225%0.25SS..SBendtrans-60.4146.8164.1-65.60000108.6P20 Y25 H46P20-S23 WeakPolarHBondContact O-CB 3.47Å; P20-S23 PolarHBondContact O-N 3.17Å; P20-S23 PolarHBondContact O-OG 2.92Å; P20-S23 VanDerWaalsContact O-OG 3.04Å; S23-Y25 PolarHBondContact O-N 2.73Å; S23-H46 VanDerWaalsContact O-CB 3.26Å; S23-H46 WeakPolarHBondContact O-CB 3.27Å
24G88.3Confident92.6Very high20 Ų2042 Ų4221%0.20626%0.263CS..SBendtrans-59.559.8-170.200000115.8Y92 D93G24-Y92 WeakPolarHBondContact O-CD2 3.29Å; G24-D93 WeakPolarHBondContact O-CB 3.33Å; G24-D93 PolarHBondContact O-N 2.81Å
25Y90.1Very high92.5Very high32 Ų3245.7 Ų45.713%0.12530%0.304CS..EExtended strand (participates in β ladder)trans-117.6152.5179.9-73.8-91.8000109.8F19 S23 W27 H46 D91 Y92 D99F19-Y25 HydrophobicContact CD2-CD2 4.08Å; F19-Y25 AromaticContact CD2-CE2 3.68Å; F19-Y25 HydrophobicContact CD2-CE2 3.68Å; F19-Y25 HydrophobicContact CE1-CE2 4.42Å; F19-Y25 AromaticContact CE2-CD2 3.39Å; F19-Y25 HydrophobicContact CE2-CD2 3.39Å; F19-Y25 HydrophobicContact CE2-CE1 4.35Å; F19-Y25 AromaticContact CE2-CE2 3.07Å; F19-Y25 HydrophobicContact CE2-CE2 3.07Å; F19-Y25 HydrophobicContact CE2-CG 4.15Å; F19-Y25 AromaticContact CE2-CZ 3.63Å; F19-Y25 HydrophobicContact CZ-CD2 4.13Å; F19-Y25 HydrophobicContact CZ-CE1 4.14Å; F19-Y25 AromaticContact CZ-CE2 3.53Å; F19-Y25 HydrophobicContact CZ-CE2 3.53Å; F19-Y25 AromaticContact CZ-CZ 3.53Å; S23-Y25 PolarHBondContact O-N 2.73Å; Y25-W27 HydrophobicContact CD2-CH2 4.36Å; Y25-W27 HydrophobicContact CD2-CZ2 4.04Å; Y25-W27 HydrophobicContact CG-CH2 4.12Å; Y25-W27 AromaticContact CG-CZ2 3.92Å; Y25-W27 HydrophobicContact CG-CZ2 3.92Å; Y25-H46 PolarHBondContact O-N 3.32Å; Y25-D91 CarbonylContact C-O 3.41Å; Y25-D91 WeakPolarHBondContact CA-O 3.47Å; Y25-Y92 HydrophobicContact CD1-CD2 4.2Å; Y25-Y92 AromaticContact CD2-CD2 3.84Å; Y25-Y92 HydrophobicContact CD2-CD2 3.84Å; Y25-Y92 HydrophobicContact CD2-CE2 4.49Å; Y25-Y92 AromaticContact CE1-CD2 3.89Å; Y25-Y92 HydrophobicContact CE1-CD2 3.89Å; Y25-Y92 HydrophobicContact CE1-CG 4.25Å; Y25-Y92 AromaticContact CE2-CD2 3.49Å; Y25-Y92 HydrophobicContact CE2-CD2 3.49Å; Y25-Y92 VanDerWaalsContact CE2-CD2 3.49Å; Y25-Y92 HydrophobicContact CE2-CE2 4.09Å; Y25-Y92 HydrophobicContact CG-CD2 4.18Å; Y25-Y92 AromaticContact CZ-CD2 3.52Å; Y25-D99 HydrophobicContact CE1-CB 4.25Å
26Y92.8Very high92.4Very high61 Ų6148.8 Ų48.824%0.23931%0.309CS..EExtended strand (participates in β ladder)trans-94.9122.2159.1-54.9-74.9000108.3Y43 T45 G90 D91 D93Y26-Y43 AromaticContact CD1-CD2 3.95Å; Y26-Y43 HydrophobicContact CD1-CD2 3.95Å; Y26-Y43 AromaticContact CD1-CE2 3.77Å; Y26-Y43 HydrophobicContact CD1-CE2 3.77Å; Y26-Y43 HydrophobicContact CE1-CE2 4.33Å; Y26-Y43 HydrophobicContact CG-CD2 4.49Å; Y26-T45 HydrophobicContact CD1-CG2 3.78Å; Y26-T45 HydrophobicContact CE1-CG2 3.76Å; Y26-G90 WeakPolarHBondContact O-CA 3.42Å; Y26-D91 PolarHBondContact N-O 2.79Å; Y26-D91 PolarHBondContact O-N 3.12Å; Y26-D93 HydrophobicContact CE2-CB 3.9Å; Y26-D93 PolarHBondContact OH-OD1 3.04Å
27W94.9Very high92.5Very high3 Ų353.1 Ų53.11%0.01134%0.338CS..EExtended strand (participates in β ladder)trans-97.8112.9-179.3-61.3109.8000110.1I16 F19 I21 Y25 Y43 I44 F71I16-W27 HydrophobicContact CB-CH2 4.28Å; I16-W27 HydrophobicContact CD1-CD2 3.57Å; I16-W27 VanDerWaalsContact CD1-CE2 3.44Å; I16-W27 HydrophobicContact CD1-CE3 3.69Å; I16-W27 HydrophobicContact CD1-CG 4.32Å; I16-W27 HydrophobicContact CD1-CH2 3.46Å; I16-W27 VanDerWaalsContact CD1-CH2 3.46Å; I16-W27 HydrophobicContact CD1-CZ2 3.4Å; I16-W27 HydrophobicContact CD1-CZ3 3.64Å; I16-W27 HydrophobicContact CG1-CD2 4.45Å; I16-W27 HydrophobicContact CG1-CE3 4.08Å; I16-W27 HydrophobicContact CG1-CH2 3.66Å; I16-W27 HydrophobicContact CG1-CZ2 4.12Å; I16-W27 HydrophobicContact CG1-CZ3 3.67Å; I16-W27 HydrophobicContact CG2-CH2 3.61Å; I16-W27 HydrophobicContact CG2-CZ2 4.14Å; I16-W27 HydrophobicContact CG2-CZ3 4.32Å; F19-W27 HydrophobicContact CD2-CH2 4.37Å; F19-W27 HydrophobicContact CD2-CZ2 4.4Å; F19-W27 AromaticContact CE2-CH2 3.3Å; F19-W27 HydrophobicContact CE2-CH2 3.3Å; F19-W27 AromaticContact CE2-CZ2 3.6Å; F19-W27 HydrophobicContact CE2-CZ2 3.6Å; F19-W27 AromaticContact CZ-CH2 3.66Å; F19-W27 HydrophobicContact CZ-CH2 3.66Å; F19-W27 HydrophobicContact CZ-CZ2 4.4Å; I21-W27 HydrophobicContact CG1-CD2 4.49Å; I21-W27 HydrophobicContact CG1-CG 4.32Å; I21-W27 PolarHBondContact O-NE1 3.42Å; Y25-W27 HydrophobicContact CD2-CH2 4.36Å; Y25-W27 HydrophobicContact CD2-CZ2 4.04Å; Y25-W27 HydrophobicContact CG-CH2 4.12Å; Y25-W27 AromaticContact CG-CZ2 3.92Å; Y25-W27 HydrophobicContact CG-CZ2 3.92Å; W27-Y43 CarbonylContact O-C 3.52Å; W27-Y43 WeakPolarHBondContact O-CA 3.38Å; W27-Y43 VanDerWaalsContact O-CB 3.32Å; W27-Y43 WeakPolarHBondContact O-CB 3.41Å; W27-I44 HydrophobicContact CB-CG2 3.82Å; W27-I44 PolarHBondContact N-O 2.89Å; W27-I44 PolarHBondContact O-N 3.11Å; W27-F71 HydrophobicContact CB-CD1 4.08Å; W27-F71 HydrophobicContact CB-CD2 3.99Å; W27-F71 HydrophobicContact CB-CE1 3.91Å; W27-F71 HydrophobicContact CB-CE2 3.83Å; W27-F71 HydrophobicContact CB-CG 4.1Å; W27-F71 HydrophobicContact CB-CZ 3.75Å; W27-F71 HydrophobicContact CD2-CE1 4.3Å; W27-F71 AromaticContact CE3-CE1 4Å; W27-F71 HydrophobicContact CE3-CE1 4Å; W27-F71 HydrophobicContact CE3-CZ 4.4Å; W27-F71 HydrophobicContact CG-CD1 4.36Å; W27-F71 HydrophobicContact CG-CE1 4.29Å
28I95.4Very high92.8Very high8 Ų851.7 Ų51.74%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-115.1138.5-158.8-62155.4000109.4I30 W40 Y43 C88 A89 D91 F98I28-I30 HydrophobicContact CG2-CD1 4.21Å; I28-I30 HydrophobicContact CG2-CG1 3.84Å; I28-W40 VanDerWaalsContact CG2-CD1 3.48Å; I28-Y43 HydrophobicContact CG1-CG 4.37Å; I28-C88 CarbonylContact O-C 3.59Å; I28-C88 WeakPolarHBondContact O-CA 3.27Å; I28-A89 HydrophobicContact CB-CB 4.49Å; I28-A89 PolarHBondContact N-O 2.91Å; I28-A89 PolarHBondContact O-N 2.61Å; I28-D91 HydrophobicContact CD1-CB 3.58Å; I28-F98 HydrophobicContact CB-CE1 4.22Å; I28-F98 HydrophobicContact CD1-CD1 3.92Å; I28-F98 HydrophobicContact CD1-CE1 3.3Å; I28-F98 HydrophobicContact CD1-CZ 4.23Å; I28-F98 HydrophobicContact CG1-CE1 4.29Å; I28-F98 HydrophobicContact CG2-CE1 4.15Å
29W96.6Very high93.1Very high5 Ų550.2 Ų50.22%0.01930%0.295CS..EExtended strand (participates in β ladder)trans-104.7133.6168.8-79103.7000110.4L12 C14 M41 G42 F71 L73 Y87 C88L12-W29 HydrophobicContact CB-CH2 3.68Å; L12-W29 HydrophobicContact CB-CZ2 4.23Å; L12-W29 HydrophobicContact CB-CZ3 4.14Å; L12-W29 HydrophobicContact CD1-CZ3 4.21Å; C14-W29 HydrophobicContact CB-CH2 4.06Å; C14-W29 HydrophobicContact CB-CZ2 3.94Å; W29-M41 HydrophobicContact CB-CB 4.23Å; W29-M41 WeakPolarHBondContact O-CB 3.43Å; W29-M41 PolarHBondContact O-N 3.5Å; W29-G42 PolarHBondContact N-O 3.11Å; W29-F71 AromaticContact CD1-CD2 3.86Å; W29-F71 AromaticContact CD1-CE2 3.6Å; W29-F71 HydrophobicContact CD2-CE2 4.31Å; W29-F71 AromaticContact CE2-CD2 3.97Å; W29-F71 AromaticContact CE2-CE2 3.7Å; W29-F71 HydrophobicContact CG-CE2 4.26Å; W29-F71 HydrophobicContact CZ2-CD2 4.44Å; W29-F71 HydrophobicContact CZ2-CE2 4.28Å; W29-F71 AromaticContact NE1-CD2 3.21Å; W29-F71 AromaticContact NE1-CE2 3.21Å; W29-L73 HydrophobicContact CB-CD1 4.48Å; W29-L73 HydrophobicContact CB-CD2 4.16Å; W29-L73 HydrophobicContact CD2-CB 3.67Å; W29-L73 HydrophobicContact CD2-CD2 3.91Å; W29-L73 HydrophobicContact CD2-CG 4.33Å; W29-L73 VanDerWaalsContact CE2-CB 3.44Å; W29-L73 HydrophobicContact CE3-CB 4.31Å; W29-L73 HydrophobicContact CE3-CD2 4.05Å; W29-L73 HydrophobicContact CG-CB 3.89Å; W29-L73 HydrophobicContact CG-CD1 4.25Å; W29-L73 HydrophobicContact CG-CD2 3.96Å; W29-L73 HydrophobicContact CG-CG 4.27Å; W29-L73 HydrophobicContact CZ2-CB 3.9Å; W29-Y87 VanDerWaalsContact CE3-O 3.28Å; W29-C88 HydrophobicContact CE3-CB 4.37Å; W29-C88 HydrophobicContact CH2-CB 4.3Å; W29-C88 HydrophobicContact CZ3-CB 4.21Å
30I95.8Very high93.4Very high9 Ų952 Ų525%0.04630%0.3CS..EExtended strand (participates in β ladder)trans-133.7139.5-177.9-54174.3000107.2I28 L38 E39 Y86 Y87 A89 F98 W101I28-I30 HydrophobicContact CG2-CD1 4.21Å; I28-I30 HydrophobicContact CG2-CG1 3.84Å; I30-L38 HydrophobicContact CG2-CB 3.86Å; I30-L38 HydrophobicContact CG2-CD2 3.9Å; I30-L38 HydrophobicContact CG2-CG 4.36Å; I30-E39 WeakPolarHBondContact CA-O 3.49Å; I30-E39 WeakPolarHBondContact CG2-O 3.39Å; I30-Y86 CarbonylContact O-C 3.56Å; I30-Y87 PolarHBondContact N-O 3.04Å; I30-Y87 PolarHBondContact O-N 3.03Å; I30-A89 HydrophobicContact CD1-CB 4.14Å; I30-F98 HydrophobicContact CD1-CE1 4.22Å; I30-F98 HydrophobicContact CD1-CZ 4.15Å; I30-W101 HydrophobicContact CD1-CH2 3.36Å; I30-W101 HydrophobicContact CD1-CZ2 4.05Å; I30-W101 HydrophobicContact CD1-CZ3 3.8Å
31R95.3Very high93.6Very high20 Ų2048.7 Ų48.78%0.07528%0.278CS..EExtended strand (participates in β ladder)trans-122.1154.7171.268.9177.8-176.9-178.32.3111.8E39 M41 D82 A84 M85 Y86R31-E39 HydrophobicContact CG-CB 4.16Å; R31-E39 IonicContact CZ-OE2 3.61Å; R31-E39 VanDerWaalsContact CZ-OE2 3.27Å; R31-E39 PolarHBondContact N-O 3.24Å; R31-E39 IonicContact NE-OE2 2.92Å; R31-E39 PolarHBondContact NE-OE2 3.21Å; R31-E39 IonicContact NH2-OE1 2.75Å; R31-E39 IonicContact NH2-OE2 2.89Å; R31-E39 PolarHBondContact NH2-OE2 2.89Å; R31-E39 PolarHBondContact O-N 2.76Å; R31-M41 HydrophobicContact CB-CG 4.32Å; R31-M41 HydrophobicContact CB-SD 3.74Å; R31-M41 HydrophobicContact CG-CG 3.91Å; R31-M41 HydrophobicContact CG-SD 3.77Å; R31-D82 IonicContact NH1-OD1 2.85Å; R31-D82 PolarHBondContact NH1-OD1 3.4Å; R31-A84 HydrophobicContact CB-CB 4.1Å; R31-M85 CarbonylContact C-O 3.59Å; R31-M85 VanDerWaalsContact CA-O 3.26Å; R31-M85 WeakPolarHBondContact CA-O 3.33Å; R31-Y86 HydrophobicContact CB-CD1 3.89Å; R31-Y86 HydrophobicContact CB-CE1 3.88Å; R31-Y86 HydrophobicContact CB-CG 4.39Å
32Q95.9Very high93.7Very high72 Ų7248.7 Ų48.734%0.33628%0.278SS..EExtended strand (participates in β ladder)trans-131.7104.5174.3-161.9179.317.900109.6K36 L38 A84 M85 Y87Q32-K36 WeakPolarHBondContact CG-O 3.48Å; Q32-K36 PolarHBondContact NE2-O 2.77Å; Q32-L38 HydrophobicContact CB-CD2 3.92Å; Q32-L38 HydrophobicContact CG-CD2 4.16Å; Q32-A84 WeakPolarHBondContact O-CA 3.39Å; Q32-A84 WeakPolarHBondContact O-CB 3.41Å; Q32-M85 HydrophobicContact CB-CB 4.46Å; Q32-M85 PolarHBondContact N-O 3.21Å; Q32-M85 PolarHBondContact O-N 2.83Å; Q32-Y87 HydrophobicContact CB-CE2 3.98Å
33S94.4Very high93.9Very high15 Ų1548.2 Ų48.211%0.10527%0.27CS..  trans-69.8152.3170.2-50.80000110.2G35 K36S33-G35 PolarHBondContact O-N 3.18Å; S33-K36 PolarHBondContact O-N 2.96Å
34P93.6Very high94.3Very high106 Ų10646.8 Ų46.869%0.68826%0.259SS*.THydrogen-bonded Turntrans-52.3125.1176.4-26.634.9000112.1K36 T83P34-K36 PolarHBondContact O-N 3.17Å; P34-T83 WeakPolarHBondContact CD-O 3.4Å
35G94.2Very high94.6Very high92 Ų9246 Ų4695%0.94825%0.251SS*.THydrogen-bonded Turntrans72.87.3179.800000115.7S33S33-G35 PolarHBondContact O-N 3.18Å
36K93.9Very high94.6Very high135 Ų13547.5 Ų47.559%0.58726%0.259SS*.SBendtrans-110157178-65.5-164.1-175.7175.40112Q32 S33 P34Q32-K36 WeakPolarHBondContact CG-O 3.48Å; Q32-K36 PolarHBondContact NE2-O 2.77Å; S33-K36 PolarHBondContact O-N 2.96Å; P34-K36 PolarHBondContact O-N 3.17Å
37P94.3Very high94.5Very high107 Ų10747.9 Ų47.970%0.69527%0.27SS*.  trans-65.2170.5170.229.7-36.3000111.5E39P37-E39 PolarHBondContact O-N 2.89Å
38L94.4Very high94.4Very high91 Ų9149.1 Ų49.148%0.47628%0.284SS..  trans-62.2131.8170.8-65.9172.5000110.2I30 Q32 Y87 W101I30-L38 HydrophobicContact CG2-CB 3.86Å; I30-L38 HydrophobicContact CG2-CD2 3.9Å; I30-L38 HydrophobicContact CG2-CG 4.36Å; Q32-L38 HydrophobicContact CB-CD2 3.92Å; Q32-L38 HydrophobicContact CG-CD2 4.16Å; L38-Y87 HydrophobicContact CD2-CD2 4.24Å; L38-Y87 HydrophobicContact CD2-CE2 4.1Å; L38-W101 HydrophobicContact CD1-CH2 4Å; L38-W101 HydrophobicContact CD1-CZ3 4.48Å
39E94.6Very high94.3Very high56 Ų5654.3 Ų54.326%0.26231%0.308SS..EExtended strand (participates in β ladder)trans-114.3116.3176.7-175.6-178.4-161.200108.8I30 R31 P37 M41I30-E39 WeakPolarHBondContact CA-O 3.49Å; I30-E39 WeakPolarHBondContact CG2-O 3.39Å; R31-E39 HydrophobicContact CG-CB 4.16Å; R31-E39 IonicContact CZ-OE2 3.61Å; R31-E39 VanDerWaalsContact CZ-OE2 3.27Å; R31-E39 PolarHBondContact N-O 3.24Å; R31-E39 IonicContact NE-OE2 2.92Å; R31-E39 PolarHBondContact NE-OE2 3.21Å; R31-E39 IonicContact NH2-OE1 2.75Å; R31-E39 IonicContact NH2-OE2 2.89Å; R31-E39 PolarHBondContact NH2-OE2 2.89Å; R31-E39 PolarHBondContact O-N 2.76Å; P37-E39 PolarHBondContact O-N 2.89Å; E39-M41 PolarHBondContact O-N 2.89Å
40W94.2Very high94.3Very high91 Ų9156.6 Ų56.635%0.34532%0.323SS..EExtended strand (participates in β ladder)trans-66.1130.9171.4169.271.6000109.8I28 G42 Y43 N53I28-W40 VanDerWaalsContact CG2-CD1 3.48Å; W40-G42 PolarHBondContact NE1-O 2.99Å; W40-Y43 AromaticContact CZ2-CD1 3.62Å; W40-Y43 HydrophobicContact CZ2-CD1 3.62Å; W40-Y43 AromaticContact CZ2-CE1 3.95Å; W40-Y43 HydrophobicContact CZ2-CE1 3.95Å; W40-Y43 AromaticContact NE1-CD1 3.88Å; W40-N53 HydrophobicContact CD2-CB 4.26Å; W40-N53 HydrophobicContact CE3-CB 3.45Å; W40-N53 VanDerWaalsContact CE3-CB 3.45Å; W40-N53 HydrophobicContact CH2-CB 4.19Å; W40-N53 HydrophobicContact CZ3-CB 3.42Å; W40-N53 VanDerWaalsContact CZ3-CB 3.42Å; W40-N53 WeakPolarHBondContact O-CB 3.32Å; W40-N53 PolarHBondContact O-ND2 2.66Å
41M95.3Very high94.3Very high0 Ų060.7 Ų60.70%034%0.34CS..EExtended strand (participates in β ladder)trans-101.4-39.3-178.6-61.3-1737300112.5W29 R31 E39 N53 L56 I60 L73 L75 Y86W29-M41 HydrophobicContact CB-CB 4.23Å; W29-M41 WeakPolarHBondContact O-CB 3.43Å; W29-M41 PolarHBondContact O-N 3.5Å; R31-M41 HydrophobicContact CB-CG 4.32Å; R31-M41 HydrophobicContact CB-SD 3.74Å; R31-M41 HydrophobicContact CG-CG 3.91Å; R31-M41 HydrophobicContact CG-SD 3.77Å; E39-M41 PolarHBondContact O-N 2.89Å; M41-N53 WeakPolarHBondContact O-CB 2.84Å; M41-N53 PolarHBondContact O-N 3.31Å; M41-L56 HydrophobicContact CB-CD1 4Å; M41-L56 HydrophobicContact CE-CD1 4.4Å; M41-L56 HydrophobicContact CE-CD2 4.3Å; M41-L56 HydrophobicContact CG-CD2 4.33Å; M41-L56 WeakPolarHBondContact O-CD1 3.05Å; M41-I60 HydrophobicContact CB-CD1 4.05Å; M41-I60 HydrophobicContact CE-CD1 4.46Å; M41-I60 HydrophobicContact CE-CG2 3.99Å; M41-I60 WeakPolarHBondContact O-CD1 3.28Å; M41-L73 HydrophobicContact CE-CD2 4.02Å; M41-L73 HydrophobicContact SD-CD2 3.86Å; M41-L75 HydrophobicContact CE-CD2 4.19Å; M41-Y86 HydrophobicContact CE-CE1 4Å; M41-Y86 HydrophobicContact SD-CD1 3.87Å; M41-Y86 HydrophobicContact SD-CE1 3.7Å
42G95.5Very high94.3Very high0 Ų064.1 Ų64.10%035%0.354CS..EExtended strand (participates in β ladder)trans165174.3-17400000111.1W29 W40 F51 I62W29-G42 PolarHBondContact N-O 3.11Å; W40-G42 PolarHBondContact NE1-O 2.99Å; G42-F51 CarbonylContact C-O 3.46Å; G42-F51 WeakPolarHBondContact CA-O 3.33Å; G42-I62 VanDerWaalsContact C-CD1 3.42Å
43Y95.3Very high94.1Very high54 Ų5462 Ų6221%0.21235%0.345CS..EExtended strand (participates in β ladder)trans-147.1162.3174.167.6-99.6000112.8Y26 W27 I28 W40 T45 T50 F51Y26-Y43 AromaticContact CD1-CD2 3.95Å; Y26-Y43 HydrophobicContact CD1-CD2 3.95Å; Y26-Y43 AromaticContact CD1-CE2 3.77Å; Y26-Y43 HydrophobicContact CD1-CE2 3.77Å; Y26-Y43 HydrophobicContact CE1-CE2 4.33Å; Y26-Y43 HydrophobicContact CG-CD2 4.49Å; W27-Y43 CarbonylContact O-C 3.52Å; W27-Y43 WeakPolarHBondContact O-CA 3.38Å; W27-Y43 VanDerWaalsContact O-CB 3.32Å; W27-Y43 WeakPolarHBondContact O-CB 3.41Å; I28-Y43 HydrophobicContact CG1-CG 4.37Å; W40-Y43 AromaticContact CZ2-CD1 3.62Å; W40-Y43 HydrophobicContact CZ2-CD1 3.62Å; W40-Y43 AromaticContact CZ2-CE1 3.95Å; W40-Y43 HydrophobicContact CZ2-CE1 3.95Å; W40-Y43 AromaticContact NE1-CD1 3.88Å; Y43-T45 HydrophobicContact CD2-CG2 4.24Å; Y43-T45 HydrophobicContact CE2-CG2 3.82Å; Y43-T50 WeakPolarHBondContact O-CA 3.37Å; Y43-F51 HydrophobicContact CD1-CB 4.09Å; Y43-F51 HydrophobicContact CD2-CB 4.44Å; Y43-F51 HydrophobicContact CD2-CD2 4.29Å; Y43-F51 HydrophobicContact CE1-CB 3.59Å; Y43-F51 HydrophobicContact CE1-CD2 4.37Å; Y43-F51 HydrophobicContact CE1-CG 4.13Å; Y43-F51 HydrophobicContact CE2-CB 3.99Å; Y43-F51 AromaticContact CE2-CD2 3.38Å; Y43-F51 HydrophobicContact CE2-CD2 3.38Å; Y43-F51 HydrophobicContact CE2-CE2 4.17Å; Y43-F51 AromaticContact CE2-CG 3.97Å; Y43-F51 HydrophobicContact CE2-CG 3.97Å; Y43-F51 HydrophobicContact CG-CB 4.48Å; Y43-F51 AromaticContact CZ-CD2 3.43Å; Y43-F51 VanDerWaalsContact CZ-CD2 3.43Å; Y43-F51 AromaticContact CZ-CG 3.57Å; Y43-F51 PolarHBondContact N-O 2.75Å; Y43-F51 PolarHBondContact O-N 2.84Å; Y43-F51 VanDerWaalsContact OH-CD2 3.24Å; Y43-F51 WeakPolarHBondContact OH-CD2 3.4Å; Y43-F51 WeakPolarHBondContact OH-CG 3.21Å
44I96.1Very high93.9Very high5 Ų567.1 Ų67.13%0.02638%0.378CS..EExtended strand (participates in β ladder)trans-120.9130.7168.1-171.1164.3000109.9W27 E49 T50 I62 R64 F71W27-I44 HydrophobicContact CB-CG2 3.82Å; W27-I44 PolarHBondContact N-O 2.89Å; W27-I44 PolarHBondContact O-N 3.11Å; I44-E49 CarbonylContact C-O 3.5Å; I44-E49 VanDerWaalsContact CA-O 3.27Å; I44-E49 WeakPolarHBondContact CA-O 3.11Å; I44-T50 HydrophobicContact CB-CG2 4.05Å; I44-T50 HydrophobicContact CD1-CG2 3.83Å; I44-T50 HydrophobicContact CG1-CG2 3.82Å; I44-I62 HydrophobicContact CB-CG2 3.77Å; I44-I62 HydrophobicContact CG2-CG2 3.74Å; I44-R64 HydrophobicContact CD1-CB 4.03Å; I44-R64 HydrophobicContact CD1-CG 3.78Å; I44-F71 HydrophobicContact CG2-CB 4.32Å; I44-F71 HydrophobicContact CG2-CD2 4.31Å
45T93.6Very high93.5Very high5 Ų566.3 Ų66.33%0.03138%0.375CS..EExtended strand (participates in β ladder)trans-75.7165.5179.770.70000111.3Y26 Y43 S47 G48 E49 R64Y26-T45 HydrophobicContact CD1-CG2 3.78Å; Y26-T45 HydrophobicContact CE1-CG2 3.76Å; Y43-T45 HydrophobicContact CD2-CG2 4.24Å; Y43-T45 HydrophobicContact CE2-CG2 3.82Å; T45-S47 PolarHBondContact O-N 3.36Å; T45-S47 PolarHBondContact OG1-N 3.18Å; T45-S47 PolarHBondContact OG1-OG 3.07Å; T45-G48 WeakPolarHBondContact O-CA 2.87Å; T45-G48 PolarHBondContact O-N 2.86Å; T45-G48 PolarHBondContact OG1-N 2.79Å; T45-E49 HydrophobicContact CG2-CB 3.92Å; T45-E49 PolarHBondContact N-O 3.07Å; T45-E49 PolarHBondContact OG1-N 3.43Å; T45-R64 PolarHBondContact O-NH1 2.92Å; T45-R64 VanDerWaalsContact O-NH1 3.15Å
46H89.5Confident93.1Very high63 Ų6363.2 Ų63.229%0.29234%0.336SS..THydrogen-bonded Turntrans-60.6-22.1167.771.3-91.3000113.7S23 Y25 R64S23-H46 VanDerWaalsContact O-CB 3.26Å; S23-H46 WeakPolarHBondContact O-CB 3.27Å; Y25-H46 PolarHBondContact O-N 3.32Å; H46-R64 VanDerWaalsContact O-CZ 3.31Å; H46-R64 PolarHBondContact O-NH1 2.89Å; H46-R64 PolarHBondContact O-NH2 3.21Å
47S91.4Very high92.1Very high69 Ų6964.2 Ų64.248%0.48334%0.343SS..THydrogen-bonded Turntrans-83-16.1171590000113T45 R64T45-S47 PolarHBondContact O-N 3.36Å; T45-S47 PolarHBondContact OG1-N 3.18Å; T45-S47 PolarHBondContact OG1-OG 3.07Å; S47-R64 PolarHBondContact O-NH2 2.96Å; S47-R64 VanDerWaalsContact O-NH2 3.16Å
48G92.6Very high91.3Very high29 Ų2959.8 Ų59.830%0.29932%0.315SS..  trans98.77.6177.400000114.4T45T45-G48 WeakPolarHBondContact O-CA 2.87Å; T45-G48 PolarHBondContact O-N 2.86Å; T45-G48 PolarHBondContact OG1-N 2.79Å
49E94.5Very high90.9Very high116 Ų11659.4 Ų59.454%0.54232%0.318SS..  trans-71.6143.1172.7-63.2176.6150.300110I44 T45 F51I44-E49 CarbonylContact C-O 3.5Å; I44-E49 VanDerWaalsContact CA-O 3.27Å; I44-E49 WeakPolarHBondContact CA-O 3.11Å; T45-E49 HydrophobicContact CG2-CB 3.92Å; T45-E49 PolarHBondContact N-O 3.07Å; T45-E49 PolarHBondContact OG1-N 3.43Å; E49-F51 HydrophobicContact CB-CE2 4.13Å
50T96.4Very high90.9Very high53 Ų5357.9 Ų57.933%0.32531%0.311SS..EExtended strand (participates in β ladder)trans-117.6139.9-177.753.70000111Y43 I44 Y52 I62Y43-T50 WeakPolarHBondContact O-CA 3.37Å; I44-T50 HydrophobicContact CB-CG2 4.05Å; I44-T50 HydrophobicContact CD1-CG2 3.83Å; I44-T50 HydrophobicContact CG1-CG2 3.82Å; T50-Y52 PolarHBondContact OG1-OH 3.3Å; T50-I62 HydrophobicContact CG2-CB 4.46Å; T50-I62 WeakPolarHBondContact CG2-O 3.43Å
51F95.1Very high90.9Very high96 Ų9655.3 Ų55.342%0.42131%0.307SS..EExtended strand (participates in β ladder)trans-131.9137.7175.8-70.8-95.4000109.1G42 Y43 E49G42-F51 CarbonylContact C-O 3.46Å; G42-F51 WeakPolarHBondContact CA-O 3.33Å; Y43-F51 HydrophobicContact CD1-CB 4.09Å; Y43-F51 HydrophobicContact CD2-CB 4.44Å; Y43-F51 HydrophobicContact CD2-CD2 4.29Å; Y43-F51 HydrophobicContact CE1-CB 3.59Å; Y43-F51 HydrophobicContact CE1-CD2 4.37Å; Y43-F51 HydrophobicContact CE1-CG 4.13Å; Y43-F51 HydrophobicContact CE2-CB 3.99Å; Y43-F51 AromaticContact CE2-CD2 3.38Å; Y43-F51 HydrophobicContact CE2-CD2 3.38Å; Y43-F51 HydrophobicContact CE2-CE2 4.17Å; Y43-F51 AromaticContact CE2-CG 3.97Å; Y43-F51 HydrophobicContact CE2-CG 3.97Å; Y43-F51 HydrophobicContact CG-CB 4.48Å; Y43-F51 AromaticContact CZ-CD2 3.43Å; Y43-F51 VanDerWaalsContact CZ-CD2 3.43Å; Y43-F51 AromaticContact CZ-CG 3.57Å; Y43-F51 PolarHBondContact N-O 2.75Å; Y43-F51 PolarHBondContact O-N 2.84Å; Y43-F51 VanDerWaalsContact OH-CD2 3.24Å; Y43-F51 WeakPolarHBondContact OH-CD2 3.4Å; Y43-F51 WeakPolarHBondContact OH-CG 3.21Å; E49-F51 HydrophobicContact CB-CE2 4.13Å
52Y94.9Very high91Very high91 Ų9155.5 Ų55.536%0.35731%0.308SS..EExtended strand (participates in β ladder)trans-121.8147.2-172.3-58.3-76.2000110.4T50 P54 I60 I62T50-Y52 PolarHBondContact OG1-OH 3.3Å; Y52-P54 WeakPolarHBondContact O-CD 3.41Å; Y52-I60 HydrophobicContact CD1-CD1 3.76Å; Y52-I60 HydrophobicContact CD1-CG1 3.61Å; Y52-I60 HydrophobicContact CE1-CD1 4.31Å; Y52-I60 HydrophobicContact CE1-CG1 3.99Å; Y52-I62 HydrophobicContact CD1-CD1 4.41Å; Y52-I62 HydrophobicContact CE1-CB 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 4.19Å; Y52-I62 HydrophobicContact CE1-CG1 4.04Å; Y52-I62 PolarHBondContact OH-N 2.92Å
53N93.2Very high91Very high27 Ų2758.3 Ų58.314%0.14433%0.325CS..  trans-72.7118.7172-175.8-14.2000110.1W40 M41 S55 L56W40-N53 HydrophobicContact CD2-CB 4.26Å; W40-N53 HydrophobicContact CE3-CB 3.45Å; W40-N53 VanDerWaalsContact CE3-CB 3.45Å; W40-N53 HydrophobicContact CH2-CB 4.19Å; W40-N53 HydrophobicContact CZ3-CB 3.42Å; W40-N53 VanDerWaalsContact CZ3-CB 3.42Å; W40-N53 WeakPolarHBondContact O-CB 3.32Å; W40-N53 PolarHBondContact O-ND2 2.66Å; M41-N53 WeakPolarHBondContact O-CB 2.84Å; M41-N53 PolarHBondContact O-N 3.31Å; N53-S55 PolarHBondContact O-N 2.81Å; N53-S55 WeakPolarHBondContact OD1-CB 3.12Å; N53-S55 PolarHBondContact OD1-N 2.04Å; N53-L56 HydrophobicContact CB-CD1 4.14Å; N53-L56 HydrophobicContact CB-CG 4Å; N53-L56 PolarHBondContact O-N 3.06Å
54P89.1Confident91Very high123 Ų12358.9 Ų58.980%0.79933%0.327SS*.THydrogen-bonded Turntrans-66.7-16-179.128.9-36.5000113.5Y52 L56Y52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-L56 VanDerWaalsContact C-N 3.32Å
55S86.3Confident91Very high90 Ų9061.5 Ų61.563%0.62934%0.339SS*.THydrogen-bonded Turntrans-83.1-5.5178.3-57.30000113.9N53 Q57N53-S55 PolarHBondContact O-N 2.81Å; N53-S55 WeakPolarHBondContact OD1-CB 3.12Å; N53-S55 PolarHBondContact OD1-N 2.04Å; S55-Q57 PolarHBondContact O-N 3.2Å
56L84.8Confident91Very high26 Ų2664.7 Ų64.714%0.13636%0.359CS..  trans-70.7126.9176.1-70.6173.1000110.9M41 N53 P54 I60M41-L56 HydrophobicContact CB-CD1 4Å; M41-L56 HydrophobicContact CE-CD1 4.4Å; M41-L56 HydrophobicContact CE-CD2 4.3Å; M41-L56 HydrophobicContact CG-CD2 4.33Å; M41-L56 WeakPolarHBondContact O-CD1 3.05Å; N53-L56 HydrophobicContact CB-CD1 4.14Å; N53-L56 HydrophobicContact CB-CG 4Å; N53-L56 PolarHBondContact O-N 3.06Å; P54-L56 VanDerWaalsContact C-N 3.32Å; L56-I60 HydrophobicContact CD1-CD1 3.45Å; L56-I60 VanDerWaalsContact CD1-CD1 3.45Å; L56-I60 HydrophobicContact CD1-CG1 3.96Å; L56-I60 HydrophobicContact CD1-CG2 4.31Å
57Q73.3Confident91.2Very high156 Ų15666.8 Ų66.873%0.72938%0.38SS*.SBendtrans-75.5-34.4175-64.1-174.85100112.3S55 E81S55-Q57 PolarHBondContact O-N 3.2Å; Q57-E81 PolarHBondContact NE2-OE2 3.14Å
58S77.3Confident91.4Very high14 Ų1469 Ų6910%0.09838%0.381CS..SBendtrans-89.7131.1-178-58.80000110.9I60 D82S58-I60 WeakPolarHBondContact O-CG2 3.32Å; S58-I60 PolarHBondContact O-N 2.81Å; S58-D82 PolarHBondContact OG-OD1 2.98Å; S58-D82 VanDerWaalsContact OG-OD1 3.11Å; S58-D82 PolarHBondContact OG-OD2 3.01Å; S58-D82 VanDerWaalsContact OG-OD2 3.07Å
59P86.8Confident91.5Very high84 Ų8469.2 Ų69.255%0.54538%0.376SS..  trans-66.7124.1175.526.5-31.7000109.9N76P59-N76 HydrophobicContact CG-CB 4.4Å; P59-N76 PolarHBondContact O-N 3.03Å
60I93.6Very high91.6Very high24 Ų2465.7 Ų65.712%0.12336%0.359CS..EExtended strand (participates in β ladder)trans-115.3157.3178.468.6165.4000111.5M41 Y52 L56 S58 I62 L73 Q74 L75M41-I60 HydrophobicContact CB-CD1 4.05Å; M41-I60 HydrophobicContact CE-CD1 4.46Å; M41-I60 HydrophobicContact CE-CG2 3.99Å; M41-I60 WeakPolarHBondContact O-CD1 3.28Å; Y52-I60 HydrophobicContact CD1-CD1 3.76Å; Y52-I60 HydrophobicContact CD1-CG1 3.61Å; Y52-I60 HydrophobicContact CE1-CD1 4.31Å; Y52-I60 HydrophobicContact CE1-CG1 3.99Å; L56-I60 HydrophobicContact CD1-CD1 3.45Å; L56-I60 VanDerWaalsContact CD1-CD1 3.45Å; L56-I60 HydrophobicContact CD1-CG1 3.96Å; L56-I60 HydrophobicContact CD1-CG2 4.31Å; S58-I60 WeakPolarHBondContact O-CG2 3.32Å; S58-I60 PolarHBondContact O-N 2.81Å; I60-I62 HydrophobicContact CD1-CD1 4.38Å; I60-L73 HydrophobicContact CB-CD1 4.02Å; I60-L73 HydrophobicContact CD1-CD1 3.95Å; I60-L73 HydrophobicContact CG2-CD1 4.47Å; I60-Q74 CarbonylContact C-O 3.44Å; I60-Q74 VanDerWaalsContact CA-O 3.27Å; I60-Q74 WeakPolarHBondContact CA-O 2.95Å; I60-L75 HydrophobicContact CG2-CD2 4.45Å; I60-L75 HydrophobicContact CG2-CG 3.92Å
61S95.6Very high91.6Very high36 Ų3663.2 Ų63.225%0.25234%0.344SS..EExtended strand (participates in β ladder)trans-134.1130.9170.8175.60000109.1Q74S61-Q74 PolarHBondContact N-O 2.88Å; S61-Q74 PolarHBondContact O-N 2.77Å
62I96.8Very high91.7Very high4 Ų459.4 Ų59.42%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-111.8126.5176.3-60170.9000107.9G42 I44 T50 Y52 I60 F72 L73G42-I62 VanDerWaalsContact C-CD1 3.42Å; I44-I62 HydrophobicContact CB-CG2 3.77Å; I44-I62 HydrophobicContact CG2-CG2 3.74Å; T50-I62 HydrophobicContact CG2-CB 4.46Å; T50-I62 WeakPolarHBondContact CG2-O 3.43Å; Y52-I62 HydrophobicContact CD1-CD1 4.41Å; Y52-I62 HydrophobicContact CE1-CB 4.35Å; Y52-I62 HydrophobicContact CE1-CD1 4.19Å; Y52-I62 HydrophobicContact CE1-CG1 4.04Å; Y52-I62 PolarHBondContact OH-N 2.92Å; I60-I62 HydrophobicContact CD1-CD1 4.38Å; I62-F72 WeakPolarHBondContact CA-O 3.24Å; I62-L73 HydrophobicContact CD1-CD1 4.47Å; I62-L73 HydrophobicContact CG1-CD1 3.78Å
63T96.1Very high91.7Very high59 Ų5955.1 Ų55.136%0.36231%0.31SS..EExtended strand (participates in β ladder)trans-134.2165.6-179.762.40000110.9F71 F72T63-F71 CarbonylContact O-C 3.6Å; T63-F71 VanDerWaalsContact O-CA 3.26Å; T63-F71 WeakPolarHBondContact O-CA 3.46Å; T63-F71 VanDerWaalsContact O-CB 3.3Å; T63-F71 WeakPolarHBondContact O-CB 3.27Å; T63-F72 PolarHBondContact N-O 2.89Å; T63-F72 VanDerWaalsContact N-O 3.08Å; T63-F72 PolarHBondContact O-N 3.08Å
64R95.3Very high91.9Very high66 Ų6657 Ų5725%0.24932%0.318CS..EExtended strand (participates in β ladder)trans-137.1150.817868.7-179.5-173.9167.82.3112.5I21 I44 T45 H46 S47 Q70 F71I21-R64 HydrophobicContact CD1-CB 4.05Å; I44-R64 HydrophobicContact CD1-CB 4.03Å; I44-R64 HydrophobicContact CD1-CG 3.78Å; T45-R64 PolarHBondContact O-NH1 2.92Å; T45-R64 VanDerWaalsContact O-NH1 3.15Å; H46-R64 VanDerWaalsContact O-CZ 3.31Å; H46-R64 PolarHBondContact O-NH1 2.89Å; H46-R64 PolarHBondContact O-NH2 3.21Å; S47-R64 PolarHBondContact O-NH2 2.96Å; S47-R64 VanDerWaalsContact O-NH2 3.16Å; R64-Q70 CarbonylContact C-O 3.56Å; R64-Q70 WeakPolarHBondContact CA-O 3.42Å; R64-F71 HydrophobicContact CB-CB 4.13Å
65E95.1Very high92Very high61 Ų6151.1 Ų51.129%0.28528%0.28SS..EExtended strand (participates in β ladder)trans-12797.9172.8-177.3172.3-169.200109.4S67 K68 N69 Q70 F72E65-S67 VanDerWaalsContact C-N 3.3Å; E65-S67 WeakPolarHBondContact CG-OG 3.41Å; E65-S67 PolarHBondContact O-N 3.36Å; E65-K68 HydrophobicContact CG-CB 4.17Å; E65-K68 HydrophobicContact CG-CD 4.41Å; E65-K68 HydrophobicContact CG-CG 4.05Å; E65-K68 PolarHBondContact O-N 3.31Å; E65-K68 WeakPolarHBondContact OE1-CE 3.45Å; E65-K68 IonicContact OE1-NZ 3.27Å; E65-K68 PolarHBondContact OE1-NZ 2.85Å; E65-K68 VanDerWaalsContact OE2-CD 3.27Å; E65-K68 WeakPolarHBondContact OE2-CD 3.35Å; E65-K68 WeakPolarHBondContact OE2-CE 3.36Å; E65-K68 IonicContact OE2-NZ 2.73Å; E65-K68 PolarHBondContact OE2-NZ 2.95Å; E65-N69 PolarHBondContact O-N 3.05Å; E65-N69 VanDerWaalsContact O-N 3.13Å; E65-Q70 PolarHBondContact N-O 2.83Å; E65-Q70 PolarHBondContact O-N 3.29Å; E65-F72 HydrophobicContact CB-CE2 3.63Å; E65-F72 HydrophobicContact CB-CZ 4.07Å
66T94.1Very high92.2Very high72 Ų7249.2 Ų49.244%0.44226%0.263SS..G310 helixtrans-61-36.1-175.1-51.40000113I21 T22 K68 N69I21-T66 HydrophobicContact CG2-CG2 4.05Å; T22-T66 HydrophobicContact CG2-CG2 3.71Å; T66-K68 PolarHBondContact O-N 3.19Å; T66-N69 PolarHBondContact O-N 3.4Å
67S93.6Very high92.4Very high106 Ų10651.5 Ų51.574%0.74128%0.281SS*.G310 helixtrans-63-29.4179.354.90000113.3E65E65-S67 VanDerWaalsContact C-N 3.3Å; E65-S67 WeakPolarHBondContact CG-OG 3.41Å; E65-S67 PolarHBondContact O-N 3.36Å
68K95.1Very high93.3Very high117 Ų11744.1 Ų44.151%0.50925%0.247SC..G310 helixtrans-100.8-1.9178.4-63.1-168.5-168.9132.40113.4E65 T66 Q70E65-K68 HydrophobicContact CG-CB 4.17Å; E65-K68 HydrophobicContact CG-CD 4.41Å; E65-K68 HydrophobicContact CG-CG 4.05Å; E65-K68 PolarHBondContact O-N 3.31Å; E65-K68 WeakPolarHBondContact OE1-CE 3.45Å; E65-K68 IonicContact OE1-NZ 3.27Å; E65-K68 PolarHBondContact OE1-NZ 2.85Å; E65-K68 VanDerWaalsContact OE2-CD 3.27Å; E65-K68 WeakPolarHBondContact OE2-CD 3.35Å; E65-K68 WeakPolarHBondContact OE2-CE 3.36Å; E65-K68 IonicContact OE2-NZ 2.73Å; E65-K68 PolarHBondContact OE2-NZ 2.95Å; T66-K68 PolarHBondContact O-N 3.19Å; K68-Q70 VanDerWaalsContact C-N 3.27Å; K68-Q70 HydrophobicContact CB-CB 4.26Å; K68-Q70 HydrophobicContact CB-CG 4.2Å; K68-Q70 WeakPolarHBondContact O-CG 3.45Å; K68-Q70 PolarHBondContact O-N 2.84Å
69N94.9Very high94Very high33 Ų3346.1 Ų46.118%0.17626%0.258CS..THydrogen-bonded Turntrans55.742.3-174.7-148.240.6000113I16 F19 P20 I21 E65 T66I16-N69 PolarHBondContact N-O 2.86Å; I16-N69 PolarHBondContact O-ND2 3.34Å; F19-N69 PolarHBondContact O-ND2 3.38Å; P20-N69 WeakPolarHBondContact CA-OD1 3.45Å; I21-N69 WeakPolarHBondContact CB-OD1 3.32Å; I21-N69 PolarHBondContact N-OD1 2.89Å; E65-N69 PolarHBondContact O-N 3.05Å; E65-N69 VanDerWaalsContact O-N 3.13Å; T66-N69 PolarHBondContact O-N 3.4Å
70Q96.2Very high94.2Very high42 Ų4246.5 Ų46.520%0.19626%0.259CS..EExtended strand (participates in β ladder)trans-127.7147.5-172.2-79.3171-5.700111.8T13 C14 S15 I21 R64 E65 K68 F72T13-Q70 HydrophobicContact CG2-CB 4.27Å; T13-Q70 HydrophobicContact CG2-CG 3.98Å; C14-Q70 VanDerWaalsContact O-CA 3.29Å; C14-Q70 WeakPolarHBondContact O-CA 3.02Å; S15-Q70 WeakPolarHBondContact OG-CG 3.19Å; S15-Q70 PolarHBondContact OG-NE2 2.91Å; I21-Q70 VanDerWaalsContact CD1-C 3.43Å; I21-Q70 VanDerWaalsContact CD1-O 3.26Å; I21-Q70 WeakPolarHBondContact CD1-O 3.26Å; R64-Q70 CarbonylContact C-O 3.56Å; R64-Q70 WeakPolarHBondContact CA-O 3.42Å; E65-Q70 PolarHBondContact N-O 2.83Å; E65-Q70 PolarHBondContact O-N 3.29Å; K68-Q70 VanDerWaalsContact C-N 3.27Å; K68-Q70 HydrophobicContact CB-CB 4.26Å; K68-Q70 HydrophobicContact CB-CG 4.2Å; K68-Q70 WeakPolarHBondContact O-CG 3.45Å; K68-Q70 PolarHBondContact O-N 2.84Å; Q70-F72 HydrophobicContact CB-CE1 4.1Å; Q70-F72 HydrophobicContact CB-CE2 4.21Å; Q70-F72 HydrophobicContact CB-CZ 3.67Å
71F96.3Very high94Very high0 Ų050.9 Ų50.90%028%0.279CS..EExtended strand (participates in β ladder)trans-128.9156.6162.669.4-69.9000111.3C14 I16 I21 W27 W29 I44 T63 R64 C88C14-F71 HydrophobicContact CB-CD1 3.86Å; C14-F71 HydrophobicContact CB-CE1 3.48Å; C14-F71 VanDerWaalsContact CB-CE1 3.48Å; C14-F71 HydrophobicContact CB-CE2 4.45Å; C14-F71 HydrophobicContact CB-CZ 3.83Å; C14-F71 PolarHBondContact N-O 3.47Å; C14-F71 PolarHBondContact O-N 2.81Å; C14-F71 VanDerWaalsContact SG-CE1 3.5Å; I16-F71 HydrophobicContact CD1-CD1 3.97Å; I16-F71 HydrophobicContact CD1-CE1 4.15Å; I16-F71 HydrophobicContact CG1-CD1 4.46Å; I16-F71 HydrophobicContact CG1-CE1 4.32Å; I21-F71 HydrophobicContact CD1-CB 3.87Å; I21-F71 HydrophobicContact CD1-CD1 4.18Å; I21-F71 HydrophobicContact CD1-CG 4.45Å; W27-F71 HydrophobicContact CB-CD1 4.08Å; W27-F71 HydrophobicContact CB-CD2 3.99Å; W27-F71 HydrophobicContact CB-CE1 3.91Å; W27-F71 HydrophobicContact CB-CE2 3.83Å; W27-F71 HydrophobicContact CB-CG 4.1Å; W27-F71 HydrophobicContact CB-CZ 3.75Å; W27-F71 HydrophobicContact CD2-CE1 4.3Å; W27-F71 AromaticContact CE3-CE1 4Å; W27-F71 HydrophobicContact CE3-CE1 4Å; W27-F71 HydrophobicContact CE3-CZ 4.4Å; W27-F71 HydrophobicContact CG-CD1 4.36Å; W27-F71 HydrophobicContact CG-CE1 4.29Å; W29-F71 AromaticContact CD1-CD2 3.86Å; W29-F71 AromaticContact CD1-CE2 3.6Å; W29-F71 HydrophobicContact CD2-CE2 4.31Å; W29-F71 AromaticContact CE2-CD2 3.97Å; W29-F71 AromaticContact CE2-CE2 3.7Å; W29-F71 HydrophobicContact CG-CE2 4.26Å; W29-F71 HydrophobicContact CZ2-CD2 4.44Å; W29-F71 HydrophobicContact CZ2-CE2 4.28Å; W29-F71 AromaticContact NE1-CD2 3.21Å; W29-F71 AromaticContact NE1-CE2 3.21Å; I44-F71 HydrophobicContact CG2-CB 4.32Å; I44-F71 HydrophobicContact CG2-CD2 4.31Å; T63-F71 CarbonylContact O-C 3.6Å; T63-F71 VanDerWaalsContact O-CA 3.26Å; T63-F71 WeakPolarHBondContact O-CA 3.46Å; T63-F71 VanDerWaalsContact O-CB 3.3Å; T63-F71 WeakPolarHBondContact O-CB 3.27Å; R64-F71 HydrophobicContact CB-CB 4.13Å; F71-C88 HydrophobicContact CE1-CB 4.18Å; F71-C88 HydrophobicContact CE2-CB 4.25Å; F71-C88 HydrophobicContact CZ-CB 3.52Å
72F96.8Very high93.8Very high17 Ų1749.2 Ų49.28%0.07527%0.267CS..EExtended strand (participates in β ladder)trans-130.5148.5-165.5-47.4-83.6000110.7F11 L12 T13 I62 T63 E65 Q70F11-F72 HydrophobicContact CD1-CD1 4.44Å; F11-F72 HydrophobicContact CE1-CB 4.08Å; F11-F72 AromaticContact CE1-CD1 3.29Å; F11-F72 HydrophobicContact CE1-CD1 3.29Å; F11-F72 AromaticContact CE1-CE1 3.92Å; F11-F72 HydrophobicContact CE1-CE1 3.92Å; F11-F72 AromaticContact CE1-CG 3.9Å; F11-F72 HydrophobicContact CE1-CG 3.9Å; F11-F72 HydrophobicContact CE2-CB 3.75Å; F11-F72 HydrophobicContact CE2-CD1 4.4Å; F11-F72 HydrophobicContact CE2-CG 4.18Å; F11-F72 HydrophobicContact CZ-CB 3.41Å; F11-F72 VanDerWaalsContact CZ-CB 3.41Å; F11-F72 AromaticContact CZ-CD1 3.27Å; F11-F72 HydrophobicContact CZ-CD1 3.27Å; F11-F72 HydrophobicContact CZ-CD2 4.21Å; F11-F72 HydrophobicContact CZ-CE1 4.04Å; F11-F72 AromaticContact CZ-CG 3.36Å; F11-F72 HydrophobicContact CZ-CG 3.36Å; L12-F72 CarbonylContact O-C 3.53Å; L12-F72 WeakPolarHBondContact O-CA 3.15Å; T13-F72 HydrophobicContact CG2-CD1 3.76Å; T13-F72 HydrophobicContact CG2-CE1 3.47Å; T13-F72 VanDerWaalsContact CG2-CE1 3.47Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.04Å; I62-F72 WeakPolarHBondContact CA-O 3.24Å; T63-F72 PolarHBondContact N-O 2.89Å; T63-F72 VanDerWaalsContact N-O 3.08Å; T63-F72 PolarHBondContact O-N 3.08Å; E65-F72 HydrophobicContact CB-CE2 3.63Å; E65-F72 HydrophobicContact CB-CZ 4.07Å; Q70-F72 HydrophobicContact CB-CE1 4.1Å; Q70-F72 HydrophobicContact CB-CE2 4.21Å; Q70-F72 HydrophobicContact CB-CZ 3.67Å
73L96.8Very high93.7Very high0 Ų050.7 Ų50.70%028%0.276CS..EExtended strand (participates in β ladder)trans-118124.9167.9179.268.3000108.2F11 L12 W29 M41 I60 I62 L75 Y86F11-L73 WeakPolarHBondContact CA-O 3.33Å; L12-L73 HydrophobicContact CB-CB 4.34Å; L12-L73 HydrophobicContact CD1-CD2 4.33Å; L12-L73 PolarHBondContact N-O 2.79Å; L12-L73 PolarHBondContact O-N 2.93Å; W29-L73 HydrophobicContact CB-CD1 4.48Å; W29-L73 HydrophobicContact CB-CD2 4.16Å; W29-L73 HydrophobicContact CD2-CB 3.67Å; W29-L73 HydrophobicContact CD2-CD2 3.91Å; W29-L73 HydrophobicContact CD2-CG 4.33Å; W29-L73 VanDerWaalsContact CE2-CB 3.44Å; W29-L73 HydrophobicContact CE3-CB 4.31Å; W29-L73 HydrophobicContact CE3-CD2 4.05Å; W29-L73 HydrophobicContact CG-CB 3.89Å; W29-L73 HydrophobicContact CG-CD1 4.25Å; W29-L73 HydrophobicContact CG-CD2 3.96Å; W29-L73 HydrophobicContact CG-CG 4.27Å; W29-L73 HydrophobicContact CZ2-CB 3.9Å; M41-L73 HydrophobicContact CE-CD2 4.02Å; M41-L73 HydrophobicContact SD-CD2 3.86Å; I60-L73 HydrophobicContact CB-CD1 4.02Å; I60-L73 HydrophobicContact CD1-CD1 3.95Å; I60-L73 HydrophobicContact CG2-CD1 4.47Å; I62-L73 HydrophobicContact CD1-CD1 4.47Å; I62-L73 HydrophobicContact CG1-CD1 3.78Å; L73-L75 HydrophobicContact CD2-CD1 3.6Å; L73-L75 HydrophobicContact CG-CD1 3.66Å; L73-Y86 HydrophobicContact CD2-CD1 4.02Å; L73-Y86 HydrophobicContact CD2-CE1 4.26Å
74Q95.4Very high93.6Very high67 Ų6748 Ų4831%0.31326%0.26SS..EExtended strand (participates in β ladder)trans-110.2122.1170.5-179178.6-200108.8L10 F11 I60 S61 N76L10-Q74 CarbonylContact O-C 3.57Å; L10-Q74 WeakPolarHBondContact O-CA 3.36Å; F11-Q74 HydrophobicContact CD2-CB 4.14Å; I60-Q74 CarbonylContact C-O 3.44Å; I60-Q74 VanDerWaalsContact CA-O 3.27Å; I60-Q74 WeakPolarHBondContact CA-O 2.95Å; S61-Q74 PolarHBondContact N-O 2.88Å; S61-Q74 PolarHBondContact O-N 2.77Å; Q74-N76 PolarHBondContact NE2-OD1 2.86Å
75L93Very high93.7Very high0 Ų047.6 Ų47.60%026%0.262CS..EExtended strand (participates in β ladder)trans-103.5132.8166.5-64.783.7000107.7S9 L10 M41 I60 L73 V78 D82 Y86S9-L75 CarbonylContact C-O 3.49Å; S9-L75 VanDerWaalsContact CA-O 3.3Å; S9-L75 WeakPolarHBondContact CA-O 3.25Å; L10-L75 HydrophobicContact CB-CB 4.34Å; L10-L75 HydrophobicContact CD2-CD1 4.05Å; L10-L75 HydrophobicContact CG-CD1 4.32Å; L10-L75 PolarHBondContact N-O 2.95Å; L10-L75 PolarHBondContact O-N 3.04Å; M41-L75 HydrophobicContact CE-CD2 4.19Å; I60-L75 HydrophobicContact CG2-CD2 4.45Å; I60-L75 HydrophobicContact CG2-CG 3.92Å; L73-L75 HydrophobicContact CD2-CD1 3.6Å; L73-L75 HydrophobicContact CG-CD1 3.66Å; L75-V78 HydrophobicContact CB-CG1 3.75Å; L75-V78 HydrophobicContact CD2-CG1 4.48Å; L75-D82 HydrophobicContact CD2-CB 4.3Å; L75-Y86 HydrophobicContact CD1-CE1 4.24Å; L75-Y86 HydrophobicContact CD2-CE1 4.22Å
76N89.9Confident93.7Very high49 Ų4944.8 Ų44.826%0.26225%0.249SC..SBendtrans-104.5141.2176.6-65.2-45.6000110.5S9 P59 Q74S9-N76 PolarHBondContact OG-OD1 2.85Å; S9-N76 VanDerWaalsContact OG-OD1 3.14Å; P59-N76 HydrophobicContact CG-CB 4.4Å; P59-N76 PolarHBondContact O-N 3.03Å; Q74-N76 PolarHBondContact NE2-OD1 2.86Å
77S89.4Confident93.8Very high75 Ų7543.5 Ų43.552%0.52424%0.236SC..SBendtrans55.654.5177.7-55.60000113Q8Q8-S77 PolarHBondContact O-N 2.9Å
78V91.4Very high93.9Very high1 Ų139.2 Ų39.21%0.00621%0.206CC..  trans-60146.4-174.8-62.30000112.5V4 P6 S7 Q8 L10 L75 D82 V109V4-V78 HydrophobicContact CG1-CG2 3.79Å; P6-V78 CarbonylContact C-O 3.6Å; P6-V78 WeakPolarHBondContact CA-O 3.46Å; S7-V78 PolarHBondContact N-O 3.21Å; Q8-V78 WeakPolarHBondContact O-CG2 3.4Å; Q8-V78 PolarHBondContact O-N 3.48Å; L10-V78 HydrophobicContact CB-CG1 3.76Å; L75-V78 HydrophobicContact CB-CG1 3.75Å; L75-V78 HydrophobicContact CD2-CG1 4.48Å; V78-D82 WeakPolarHBondContact CA-OD2 3.33Å; V78-D82 HydrophobicContact CB-CB 4.29Å; V78-V109 HydrophobicContact CB-CG2 4.24Å; V78-V109 HydrophobicContact CG2-CG1 3.92Å; V78-V109 HydrophobicContact CG2-CG2 3.97Å
79T91.7Very high93.9Very high56 Ų5633.7 Ų33.734%0.34418%0.182SC..  trans-116.6171.6176.867.60000110.6E81 D82 V109T79-E81 PolarHBondContact O-N 3.48Å; T79-E81 PolarHBondContact OG1-N 2.84Å; T79-D82 PolarHBondContact N-OD2 3.3Å; T79-D82 WeakPolarHBondContact O-CB 3.44Å; T79-D82 PolarHBondContact O-N 2.93Å; T79-D82 PolarHBondContact OG1-OD2 3.39Å; T79-V109 VanDerWaalsContact O-CB 3.32Å; T79-V109 WeakPolarHBondContact O-CB 3.41Å; T79-V109 WeakPolarHBondContact O-CG1 3.12Å; T79-V109 WeakPolarHBondContact O-CG2 3.36Å
80T90.9Very high93.8Very high92 Ų9232.1 Ų32.156%0.56417%0.174SC*.G310 helixtrans-58.2-26.717449.90000112.4D82 T83T80-D82 PolarHBondContact O-N 2.87Å; T80-T83 VanDerWaalsContact O-CB 3.25Å; T80-T83 WeakPolarHBondContact O-CB 3.16Å; T80-T83 PolarHBondContact O-N 2.82Å; T80-T83 VanDerWaalsContact O-N 3.17Å; T80-T83 PolarHBondContact O-OG1 2.78Å
81E89.4Confident93.4Very high116 Ų11632 Ų3254%0.54217%0.174SC..G310 helixtrans-67.1-22175.7-57.3-171.4179.800113.2Q57 T79 T83Q57-E81 PolarHBondContact NE2-OE2 3.14Å; T79-E81 PolarHBondContact O-N 3.48Å; T79-E81 PolarHBondContact OG1-N 2.84Å; E81-T83 PolarHBondContact O-N 3.23Å
82D91.4Very high92.9Very high1 Ų136.3 Ų36.31%0.00519%0.192CC..G310 helixtrans-80.12.3175.8-61.6-53.7000112.6R31 S58 L75 V78 T79 T80 A84 Y86 V109R31-D82 IonicContact NH1-OD1 2.85Å; R31-D82 PolarHBondContact NH1-OD1 3.4Å; S58-D82 PolarHBondContact OG-OD1 2.98Å; S58-D82 VanDerWaalsContact OG-OD1 3.11Å; S58-D82 PolarHBondContact OG-OD2 3.01Å; S58-D82 VanDerWaalsContact OG-OD2 3.07Å; L75-D82 HydrophobicContact CD2-CB 4.3Å; V78-D82 WeakPolarHBondContact CA-OD2 3.33Å; V78-D82 HydrophobicContact CB-CB 4.29Å; T79-D82 PolarHBondContact N-OD2 3.3Å; T79-D82 WeakPolarHBondContact O-CB 3.44Å; T79-D82 PolarHBondContact O-N 2.93Å; T79-D82 PolarHBondContact OG1-OD2 3.39Å; T80-D82 PolarHBondContact O-N 2.87Å; D82-A84 PolarHBondContact O-N 3.4Å; D82-A84 VanDerWaalsContact O-N 3.17Å; D82-Y86 WeakPolarHBondContact O-CE2 3.34Å; D82-Y86 PolarHBondContact O-OH 2.94Å; D82-V109 HydrophobicContact CB-CG2 4.43Å
83T94.1Very high91.7Very high34 Ų3439.5 Ų39.521%0.20921%0.209CC..  trans-67109.2169.2-640000110.1P34 T80 E81 V107 T108 V109P34-T83 WeakPolarHBondContact CD-O 3.4Å; T80-T83 VanDerWaalsContact O-CB 3.25Å; T80-T83 WeakPolarHBondContact O-CB 3.16Å; T80-T83 PolarHBondContact O-N 2.82Å; T80-T83 VanDerWaalsContact O-N 3.17Å; T80-T83 PolarHBondContact O-OG1 2.78Å; E81-T83 PolarHBondContact O-N 3.23Å; T83-V107 WeakPolarHBondContact CA-O 3.38Å; T83-T108 HydrophobicContact CG2-CG2 4.36Å; T83-V109 PolarHBondContact OG1-N 2.93Å; T83-V109 PolarHBondContact OG1-O 2.84Å
84A95.1Very high90.4Very high3 Ų342.5 Ų42.53%0.02524%0.241CC..EExtended strand (participates in β ladder)trans-161.1167.5-175.300000111.4R31 Q32 D82 Y86 V107R31-A84 HydrophobicContact CB-CB 4.1Å; Q32-A84 WeakPolarHBondContact O-CA 3.39Å; Q32-A84 WeakPolarHBondContact O-CB 3.41Å; D82-A84 PolarHBondContact O-N 3.4Å; D82-A84 VanDerWaalsContact O-N 3.17Å; A84-Y86 HydrophobicContact CB-CD2 4.29Å; A84-Y86 HydrophobicContact CB-CE2 3.78Å; A84-Y86 WeakPolarHBondContact O-CD2 3.3Å; A84-V107 PolarHBondContact N-O 2.85Å; A84-V107 PolarHBondContact O-N 2.75Å
85M96.6Very high88.9Confident58 Ų5845.6 Ų45.629%0.28625%0.25SS..EExtended strand (participates in β ladder)trans-83.9128.6158.3-166.574.973.300108.8R31 Q32 Y87 T106R31-M85 CarbonylContact C-O 3.59Å; R31-M85 VanDerWaalsContact CA-O 3.26Å; R31-M85 WeakPolarHBondContact CA-O 3.33Å; Q32-M85 HydrophobicContact CB-CB 4.46Å; Q32-M85 PolarHBondContact N-O 3.21Å; Q32-M85 PolarHBondContact O-N 2.83Å; M85-Y87 HydrophobicContact CB-CE2 3.77Å; M85-Y87 HydrophobicContact CG-CD2 4.32Å; M85-Y87 HydrophobicContact CG-CE1 3.92Å; M85-Y87 HydrophobicContact CG-CE2 3.53Å; M85-Y87 VanDerWaalsContact CG-OH 3.32Å; M85-Y87 WeakPolarHBondContact CG-OH 3.2Å; M85-T106 WeakPolarHBondContact CE-OG1 3.39Å; M85-T106 PolarHBondContact SD-N 3.29Å; M85-T106 PolarHBondContact SD-OG1 3.18Å
86Y96.5Very high87.4Confident1 Ų157.7 Ų57.70%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-107.6131.6178.9-70.3-99.8000109.9L12 I30 R31 M41 L73 L75 D82 A84 G104 T105 V107L12-Y86 HydrophobicContact CD1-CD1 3.66Å; L12-Y86 HydrophobicContact CD1-CD2 4.09Å; L12-Y86 HydrophobicContact CD1-CE1 4.38Å; L12-Y86 HydrophobicContact CD1-CG 3.48Å; L12-Y86 VanDerWaalsContact CD1-CG 3.48Å; I30-Y86 CarbonylContact O-C 3.56Å; R31-Y86 HydrophobicContact CB-CD1 3.89Å; R31-Y86 HydrophobicContact CB-CE1 3.88Å; R31-Y86 HydrophobicContact CB-CG 4.39Å; M41-Y86 HydrophobicContact CE-CE1 4Å; M41-Y86 HydrophobicContact SD-CD1 3.87Å; M41-Y86 HydrophobicContact SD-CE1 3.7Å; L73-Y86 HydrophobicContact CD2-CD1 4.02Å; L73-Y86 HydrophobicContact CD2-CE1 4.26Å; L75-Y86 HydrophobicContact CD1-CE1 4.24Å; L75-Y86 HydrophobicContact CD2-CE1 4.22Å; D82-Y86 WeakPolarHBondContact O-CE2 3.34Å; D82-Y86 PolarHBondContact O-OH 2.94Å; A84-Y86 HydrophobicContact CB-CD2 4.29Å; A84-Y86 HydrophobicContact CB-CE2 3.78Å; A84-Y86 WeakPolarHBondContact O-CD2 3.3Å; Y86-G104 CarbonylContact O-C 3.54Å; Y86-G104 WeakPolarHBondContact O-CA 3.42Å; Y86-T105 PolarHBondContact N-O 3.13Å; Y86-T105 PolarHBondContact O-N 3.18Å; Y86-V107 HydrophobicContact CD2-CB 3.91Å; Y86-V107 HydrophobicContact CD2-CG2 3.69Å; Y86-V107 HydrophobicContact CE2-CB 3.74Å; Y86-V107 HydrophobicContact CE2-CG1 4.3Å; Y86-V107 HydrophobicContact CE2-CG2 3.95Å
87Y96.4Very high86Confident45 Ų4561.9 Ų61.918%0.17631%0.309CS..EExtended strand (participates in β ladder)trans-121.4143.4-179.4-56.3-89.6000109.6W29 I30 Q32 L38 M85 W101 G104W29-Y87 VanDerWaalsContact CE3-O 3.28Å; I30-Y87 PolarHBondContact N-O 3.04Å; I30-Y87 PolarHBondContact O-N 3.03Å; Q32-Y87 HydrophobicContact CB-CE2 3.98Å; L38-Y87 HydrophobicContact CD2-CD2 4.24Å; L38-Y87 HydrophobicContact CD2-CE2 4.1Å; M85-Y87 HydrophobicContact CB-CE2 3.77Å; M85-Y87 HydrophobicContact CG-CD2 4.32Å; M85-Y87 HydrophobicContact CG-CE1 3.92Å; M85-Y87 HydrophobicContact CG-CE2 3.53Å; M85-Y87 VanDerWaalsContact CG-OH 3.32Å; M85-Y87 WeakPolarHBondContact CG-OH 3.2Å; Y87-W101 HydrophobicContact CG-CZ3 4.38Å; Y87-G104 VanDerWaalsContact CD1-CA 3.41Å
88C95.4Very high85.1Confident16 Ų1662.2 Ų62.211%0.10830%0.301CS..EExtended strand (participates in β ladder)trans-102.3145.2161.454.60000109.9C14 I28 W29 F71 G102C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.13Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 2.77Å; I28-C88 CarbonylContact O-C 3.59Å; I28-C88 WeakPolarHBondContact O-CA 3.27Å; W29-C88 HydrophobicContact CE3-CB 4.37Å; W29-C88 HydrophobicContact CH2-CB 4.3Å; W29-C88 HydrophobicContact CZ3-CB 4.21Å; F71-C88 HydrophobicContact CE1-CB 4.18Å; F71-C88 HydrophobicContact CE2-CB 4.25Å; F71-C88 HydrophobicContact CZ-CB 3.52Å; C88-G102 PolarHBondContact O-N 3.01Å
89A94.5Very high84.3Confident2 Ų265 Ų652%0.01732%0.316CS..EExtended strand (participates in β ladder)trans-139.4160.2176.100000111.2I28 I30 F98 V100 W101I28-A89 HydrophobicContact CB-CB 4.49Å; I28-A89 PolarHBondContact N-O 2.91Å; I28-A89 PolarHBondContact O-N 2.61Å; I30-A89 HydrophobicContact CD1-CB 4.14Å; A89-F98 HydrophobicContact CB-CD1 3.64Å; A89-F98 HydrophobicContact CB-CE1 3.99Å; A89-F98 HydrophobicContact CB-CG 4.42Å; A89-V100 CarbonylContact C-O 3.6Å; A89-V100 WeakPolarHBondContact CA-O 3.3Å; A89-V100 WeakPolarHBondContact CB-O 3.26Å; A89-W101 HydrophobicContact CB-CD2 4.11Å; A89-W101 HydrophobicContact CB-CE3 4.36Å; A89-W101 HydrophobicContact CB-CG 4.5Å; A89-W101 HydrophobicContact CB-CZ2 4.47Å
90G91.9Very high84Confident0 Ų064.8 Ų64.80%032%0.315CS..EExtended strand (participates in β ladder)trans-124.2134173.800000110.5Y26 F98 D99 V100Y26-G90 WeakPolarHBondContact O-CA 3.42Å; G90-F98 CarbonylContact O-C 3.42Å; G90-F98 WeakPolarHBondContact O-CA 3.14Å; G90-D99 PolarHBondContact O-N 2.95Å; G90-V100 PolarHBondContact N-O 2.98Å; G90-V100 PolarHBondContact O-N 3.17Å
91D88.6Confident84Confident38 Ų3865.8 Ų65.820%0.20331%0.308CS..EExtended strand (participates in β ladder)trans-123.4118.8176.2-178.414.7000109.2Y25 Y26 I28 F98Y25-D91 CarbonylContact C-O 3.41Å; Y25-D91 WeakPolarHBondContact CA-O 3.47Å; Y26-D91 PolarHBondContact N-O 2.79Å; Y26-D91 PolarHBondContact O-N 3.12Å; I28-D91 HydrophobicContact CD1-CB 3.58Å; D91-F98 HydrophobicContact CB-CD1 4.15Å
92Y84.8Confident84.1Confident92 Ų9261.4 Ų61.436%0.36130%0.295SS..EExtended strand (participates in β ladder)trans-80.6129-176.1-172.7-92.1000111.1G24 Y25 G94 Y95 D99G24-Y92 WeakPolarHBondContact O-CD2 3.29Å; Y25-Y92 HydrophobicContact CD1-CD2 4.2Å; Y25-Y92 AromaticContact CD2-CD2 3.84Å; Y25-Y92 HydrophobicContact CD2-CD2 3.84Å; Y25-Y92 HydrophobicContact CD2-CE2 4.49Å; Y25-Y92 AromaticContact CE1-CD2 3.89Å; Y25-Y92 HydrophobicContact CE1-CD2 3.89Å; Y25-Y92 HydrophobicContact CE1-CG 4.25Å; Y25-Y92 AromaticContact CE2-CD2 3.49Å; Y25-Y92 HydrophobicContact CE2-CD2 3.49Å; Y25-Y92 VanDerWaalsContact CE2-CD2 3.49Å; Y25-Y92 HydrophobicContact CE2-CE2 4.09Å; Y25-Y92 HydrophobicContact CG-CD2 4.18Å; Y25-Y92 AromaticContact CZ-CD2 3.52Å; Y92-G94 PolarHBondContact O-N 2.69Å; Y92-Y95 AromaticContact CD1-CD2 3.37Å; Y92-Y95 HydrophobicContact CD1-CD2 3.37Å; Y92-Y95 AromaticContact CD1-CE2 3.58Å; Y92-Y95 HydrophobicContact CD1-CE2 3.58Å; Y92-Y95 HydrophobicContact CE1-CD2 4.19Å; Y92-Y95 AromaticContact CE1-CE2 3.94Å; Y92-Y95 HydrophobicContact CE1-CE2 3.94Å; Y92-Y95 HydrophobicContact CG-CD2 4.03Å; Y92-Y95 HydrophobicContact CG-CE2 4.42Å; Y92-Y95 PolarHBondContact O-N 3.15Å; Y92-D99 VanDerWaalsContact CB-OD2 3.28Å; Y92-D99 WeakPolarHBondContact CB-OD2 3.26Å
93D73Confident84.1Confident83 Ų8368.4 Ų68.444%0.44434%0.338SS..THydrogen-bonded Turntrans-58110.7179.3-171.310.8000110.6G24 Y26G24-D93 WeakPolarHBondContact O-CB 3.33Å; G24-D93 PolarHBondContact O-N 2.81Å; Y26-D93 HydrophobicContact CE2-CB 3.9Å; Y26-D93 PolarHBondContact OH-OD1 3.04Å
94G69.6Low84.1Confident64 Ų6467.9 Ų67.966%0.6634%0.339SS*.THydrogen-bonded Turntrans110.1-6.7-175.900000115.8Y92Y92-G94 PolarHBondContact O-N 2.69Å
95Y63.6Low84.1Confident132 Ų13269.2 Ų69.252%0.51835%0.347SS..  trans-109.3160.8168-66.3-71.8000111.2Y92 Y97Y92-Y95 AromaticContact CD1-CD2 3.37Å; Y92-Y95 HydrophobicContact CD1-CD2 3.37Å; Y92-Y95 AromaticContact CD1-CE2 3.58Å; Y92-Y95 HydrophobicContact CD1-CE2 3.58Å; Y92-Y95 HydrophobicContact CE1-CD2 4.19Å; Y92-Y95 AromaticContact CE1-CE2 3.94Å; Y92-Y95 HydrophobicContact CE1-CE2 3.94Å; Y92-Y95 HydrophobicContact CG-CD2 4.03Å; Y92-Y95 HydrophobicContact CG-CE2 4.42Å; Y92-Y95 PolarHBondContact O-N 3.15Å; Y95-Y97 HydrophobicContact CD1-CE1 4.3Å; Y95-Y97 HydrophobicContact CG-CE1 4.49Å
96W60.6Low84Confident254 Ų25470 Ų7096%0.96236%0.355SS*.SBendtrans-106.220-174-61.497.8000113.1
97Y62Low83.9Confident136 Ų13670 Ų7053%0.53336%0.355SS..SBendtrans-150.4150.7-176.763.8-87.9000111.9Y95 D99Y95-Y97 HydrophobicContact CD1-CE1 4.3Å; Y95-Y97 HydrophobicContact CG-CE1 4.49Å; Y97-D99 WeakPolarHBondContact CE2-OD1 3.26Å; Y97-D99 PolarHBondContact O-N 3.25Å; Y97-D99 PolarHBondContact OH-OD1 2.72Å
98F70.3Confident83.7Confident82 Ų8270.7 Ų70.736%0.3636%0.364SS..EExtended strand (participates in β ladder)trans-69.8110.3176.3-64.2-85.1000111.1I28 I30 A89 G90 D91 W101I28-F98 HydrophobicContact CB-CE1 4.22Å; I28-F98 HydrophobicContact CD1-CD1 3.92Å; I28-F98 HydrophobicContact CD1-CE1 3.3Å; I28-F98 HydrophobicContact CD1-CZ 4.23Å; I28-F98 HydrophobicContact CG1-CE1 4.29Å; I28-F98 HydrophobicContact CG2-CE1 4.15Å; I30-F98 HydrophobicContact CD1-CE1 4.22Å; I30-F98 HydrophobicContact CD1-CZ 4.15Å; A89-F98 HydrophobicContact CB-CD1 3.64Å; A89-F98 HydrophobicContact CB-CE1 3.99Å; A89-F98 HydrophobicContact CB-CG 4.42Å; G90-F98 CarbonylContact O-C 3.42Å; G90-F98 WeakPolarHBondContact O-CA 3.14Å; D91-F98 HydrophobicContact CB-CD1 4.15Å; F98-W101 HydrophobicContact CB-CZ2 4.3Å; F98-W101 AromaticContact CD2-CZ2 3.88Å; F98-W101 HydrophobicContact CD2-CZ2 3.88Å; F98-W101 HydrophobicContact CE2-CZ2 4.32Å; F98-W101 HydrophobicContact CG-CZ2 4.04Å; F98-W101 AromaticContact CG-NE1 3.85Å
99D74.8Confident83.5Confident60 Ų6070.2 Ų70.232%0.32136%0.36SS..EExtended strand (participates in β ladder)trans-76-25178.6-68.8-57.6000113.1Y25 G90 Y92 Y97Y25-D99 HydrophobicContact CE1-CB 4.25Å; G90-D99 PolarHBondContact O-N 2.95Å; Y92-D99 VanDerWaalsContact CB-OD2 3.28Å; Y92-D99 WeakPolarHBondContact CB-OD2 3.26Å; Y97-D99 WeakPolarHBondContact CE2-OD1 3.26Å; Y97-D99 PolarHBondContact O-N 3.25Å; Y97-D99 PolarHBondContact OH-OD1 2.72Å
100V83.6Confident83Confident51 Ų5175 Ų7531%0.30939%0.393SS..EExtended strand (participates in β ladder)trans-132.9131.8-172-177.20000110.7F19 A89 G90F19-V100 HydrophobicContact CE1-CG2 4.33Å; F19-V100 HydrophobicContact CZ-CG2 4.02Å; A89-V100 CarbonylContact C-O 3.6Å; A89-V100 WeakPolarHBondContact CA-O 3.3Å; A89-V100 WeakPolarHBondContact CB-O 3.26Å; G90-V100 PolarHBondContact N-O 2.98Å; G90-V100 PolarHBondContact O-N 3.17Å
101W91.6Very high82.6Confident113 Ų11378.7 Ų78.743%0.42841%0.413SS..EExtended strand (participates in β ladder)trans-130.6134.7172.9-77.177.8000111I30 L38 Y87 A89 F98I30-W101 HydrophobicContact CD1-CH2 3.36Å; I30-W101 HydrophobicContact CD1-CZ2 4.05Å; I30-W101 HydrophobicContact CD1-CZ3 3.8Å; L38-W101 HydrophobicContact CD1-CH2 4Å; L38-W101 HydrophobicContact CD1-CZ3 4.48Å; Y87-W101 HydrophobicContact CG-CZ3 4.38Å; A89-W101 HydrophobicContact CB-CD2 4.11Å; A89-W101 HydrophobicContact CB-CE3 4.36Å; A89-W101 HydrophobicContact CB-CG 4.5Å; A89-W101 HydrophobicContact CB-CZ2 4.47Å; F98-W101 HydrophobicContact CB-CZ2 4.3Å; F98-W101 AromaticContact CD2-CZ2 3.88Å; F98-W101 HydrophobicContact CD2-CZ2 3.88Å; F98-W101 HydrophobicContact CE2-CZ2 4.32Å; F98-W101 HydrophobicContact CG-CZ2 4.04Å; F98-W101 AromaticContact CG-NE1 3.85Å
102G91.7Very high82.2Confident25 Ų2580.8 Ų80.826%0.25842%0.424SS..  trans-75.3156.3164.600000111.2C88 G104C88-G102 PolarHBondContact O-N 3.01Å; G102-G104 PolarHBondContact O-N 2.68Å
103T91.7Very high82.1Confident148 Ų14880.2 Ų80.291%0.90843%0.428SS*.  trans-64.1-13.2178.755.60000114
104G93.3Very high82.6Confident23 Ų2380.1 Ų80.124%0.23743%0.427CS..  trans83.7161.9-175.600000113.4Y86 Y87 G102Y86-G104 CarbonylContact O-C 3.54Å; Y86-G104 WeakPolarHBondContact O-CA 3.42Å; Y87-G104 VanDerWaalsContact CD1-CA 3.41Å; G102-G104 PolarHBondContact O-N 2.68Å
105T95Very high83.5Confident31 Ų3181.1 Ų81.119%0.1941%0.412CS..EExtended strand (participates in β ladder)trans-139.7129.4176.7-1770000111.2P1 L12 Y86P1-T105 WeakPolarHBondContact CB-OG1 3.49Å; P1-T105 WeakPolarHBondContact CG-OG1 3.46Å; L12-T105 HydrophobicContact CD1-CG2 4.31Å; L12-T105 HydrophobicContact CD2-CG2 4Å; Y86-T105 PolarHBondContact N-O 3.13Å; Y86-T105 PolarHBondContact O-N 3.18Å
106T95.3Very high84.8Confident75 Ų7577.7 Ų77.746%0.4641%0.405SS..EExtended strand (participates in β ladder)trans-81.1134177.2-45.60000110.1M85M85-T106 WeakPolarHBondContact CE-OG1 3.39Å; M85-T106 PolarHBondContact SD-N 3.29Å; M85-T106 PolarHBondContact SD-OG1 3.18Å
107V94Very high86.5Confident1 Ų165.1 Ų65.11%0.00637%0.365CS..EExtended strand (participates in β ladder)trans-125133.3173.1172.80000107.8L10 L12 T83 A84 Y86 V109L10-V107 HydrophobicContact CD1-CG1 4.39Å; L10-V107 HydrophobicContact CD1-CG2 4.37Å; L10-V107 HydrophobicContact CD2-CB 4.32Å; L10-V107 HydrophobicContact CD2-CG1 3.54Å; L10-V107 HydrophobicContact CD2-CG2 4.02Å; L12-V107 HydrophobicContact CD2-CG2 4.12Å; T83-V107 WeakPolarHBondContact CA-O 3.38Å; A84-V107 PolarHBondContact N-O 2.85Å; A84-V107 PolarHBondContact O-N 2.75Å; Y86-V107 HydrophobicContact CD2-CB 3.91Å; Y86-V107 HydrophobicContact CD2-CG2 3.69Å; Y86-V107 HydrophobicContact CE2-CB 3.74Å; Y86-V107 HydrophobicContact CE2-CG1 4.3Å; Y86-V107 HydrophobicContact CE2-CG2 3.95Å; V107-V109 HydrophobicContact CG1-CG2 4.35Å
108T93Very high88.4Confident59 Ų5959.6 Ų59.636%0.36235%0.352SS..EExtended strand (participates in β ladder)trans-122.9127.8176.6-53.30000109.1L3 V4 T83L3-T108 CarbonylContact C-O 3.46Å; L3-T108 WeakPolarHBondContact CA-O 3.32Å; L3-T108 HydrophobicContact CD1-CG2 3.84Å; V4-T108 PolarHBondContact N-O 3.33Å; T83-T108 HydrophobicContact CG2-CG2 4.36Å
109V89.8Confident89.9Confident5 Ų557.8 Ų57.83%0.0335%0.352CS..EExtended strand (participates in β ladder)trans-111.9115.7176.5-1730000108.8V4 P6 V78 T79 D82 T83 V107V4-V109 VanDerWaalsContact O-CA 3.27Å; V4-V109 WeakPolarHBondContact O-CA 3.27Å; P6-V109 HydrophobicContact CG-CG1 4.15Å; V78-V109 HydrophobicContact CB-CG2 4.24Å; V78-V109 HydrophobicContact CG2-CG1 3.92Å; V78-V109 HydrophobicContact CG2-CG2 3.97Å; T79-V109 VanDerWaalsContact O-CB 3.32Å; T79-V109 WeakPolarHBondContact O-CB 3.41Å; T79-V109 WeakPolarHBondContact O-CG1 3.12Å; T79-V109 WeakPolarHBondContact O-CG2 3.36Å; D82-V109 HydrophobicContact CB-CG2 4.43Å; T83-V109 PolarHBondContact OG1-N 2.93Å; T83-V109 PolarHBondContact OG1-O 2.84Å; V107-V109 HydrophobicContact CG1-CG2 4.35Å
110S85.1Confident91.3Very high102 Ų10257.5 Ų57.571%0.71336%0.355SS*.  trans-151.90-178.770.10000112.9L3 V4L3-S110 WeakPolarHBondContact CD1-OG 3.35Å; V4-S110 PolarHBondContact O-N 3.16Å

Retrieved 110 of 110 residues in 27.5 ms (Link to these results)

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