A0A096M3Z8_POEFO Loading...

Crystallin, gamma S1

Crystallins are the dominant structural components of the vertebrate eye lens.

AlphaFold DB , UniProt , Accession A0A096M3Z8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 183 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
1K37.3Very low50.1Low259 Ų259130.4 Ų130.4100%1.12670%0.701SS**  0106.40-76.7179.3175.9178.80107V3K1-V3 PolarHBondContact O-N 2.98Å
2A35.9Very low54Low102 Ų102125.8 Ų125.884%0.84367%0.666SS**PPolyproline II helixtrans-68.2123.3175.600000108.1
3V38.6Very low57.5Low131 Ų131116.1 Ų116.179%0.79462%0.615SS**PPolyproline II helixtrans-62124165.3-179.50000105.5K1 S5K1-V3 PolarHBondContact O-N 2.98Å; V3-S5 PolarHBondContact O-N 3.13Å
4P42.9Very low60.4Low107 Ų107108 Ų10870%0.69557%0.572SS**PPolyproline II helixtrans-62.2117.2173.126.8-30.5000106N6P4-N6 VanDerWaalsContact C-N 3.26Å; P4-N6 PolarHBondContact O-N 3.31Å
5S41.9Very low62.9Low102 Ų102100.8 Ų100.871%0.71353%0.534SS*.  trans-60.199.5168.557.80000106.1V3 K7V3-S5 PolarHBondContact O-N 3.13Å; S5-K7 PolarHBondContact O-N 3.15Å
6N41.6Very low65.2Low145 Ų14595.2 Ų95.278%0.77550%0.503SS*.  trans-59.287.8160.6-100.6-3.8000105.4P4 L8P4-N6 VanDerWaalsContact C-N 3.26Å; P4-N6 PolarHBondContact O-N 3.31Å; N6-L8 VanDerWaalsContact C-N 3.26Å; N6-L8 PolarHBondContact O-N 3.49Å
7K45.5Very low67.1Low185 Ų18590.5 Ų90.580%0.80448%0.478SS*.  trans-55.9106153.9-76.1-173.2176.1-175.60103.3S5 K9S5-K7 PolarHBondContact O-N 3.15Å; K7-K9 PolarHBondContact O-N 2.92Å
8L49Very low68.8Low150 Ų15088.5 Ų88.579%0.78547%0.468SS*.  trans-46.9119.9169.9-98.581000105.9N6 M10N6-L8 VanDerWaalsContact C-N 3.26Å; N6-L8 PolarHBondContact O-N 3.49Å; L8-M10 PolarHBondContact O-N 2.78Å
9K55.4Low70.4Confident122 Ų12288.4 Ų88.453%0.5346%0.463SS..  trans-58.6109.4174.9-73.3-166.5176.7-149.30106.6K7 G11 D29K7-K9 PolarHBondContact O-N 2.92Å; K9-G11 PolarHBondContact O-N 2.76Å; K9-G11 VanDerWaalsContact O-N 3.15Å; K9-D29 HydrophobicContact CD-CB 4.44Å; K9-D29 IonicContact NZ-OD2 2.72Å; K9-D29 PolarHBondContact NZ-OD2 3.43Å
10M73.9Confident71.8Confident131 Ų13188.6 Ų88.665%0.64546%0.464SS*.SBendtrans-68.2-11.6-171.7-70.2-69.8-70.100112.6L8 I90L8-M10 PolarHBondContact O-N 2.78Å; M10-I90 HydrophobicContact CB-CD1 4.18Å
11G89.6Confident73.1Confident0 Ų085.7 Ų85.70%045%0.448CS..  trans-170.2156.6169.500000111.4K9 D29 S49K9-G11 PolarHBondContact O-N 2.76Å; K9-G11 VanDerWaalsContact O-N 3.15Å; G11-D29 WeakPolarHBondContact O-CA 3.41Å; G11-S49 CarbonylContact C-O 3.55Å; G11-S49 VanDerWaalsContact CA-O 3.25Å; G11-S49 WeakPolarHBondContact CA-O 3.36Å; G11-S49 WeakPolarHBondContact CA-OG 3.45Å
12R96.9Very high76Confident75 Ų7579.1 Ų79.128%0.28342%0.421SS..EExtended strand (participates in β ladder)trans-148.5125.8174.8-176.5167.7-176.4-147.77.7110.4E27 E48 S49R12-E27 IonicContact CZ-OE1 3.16Å; R12-E27 IonicContact CZ-OE2 2.84Å; R12-E27 VanDerWaalsContact NE-CD 3.26Å; R12-E27 IonicContact NE-OE1 2.78Å; R12-E27 PolarHBondContact NE-OE1 2.96Å; R12-E27 IonicContact NE-OE2 3.84Å; R12-E27 IonicContact NH2-OE1 3.34Å; R12-E27 PolarHBondContact NH2-OE1 2.81Å; R12-E27 IonicContact NH2-OE2 3.72Å; R12-E27 PolarHBondContact NH2-OE2 3.39Å; R12-E48 HydrophobicContact CB-CB 4.21Å; R12-E48 WeakPolarHBondContact CD-OE2 3.24Å; R12-E48 HydrophobicContact CG-CB 4.32Å; R12-E48 IonicContact CZ-OE2 2.94Å; R12-E48 VanDerWaalsContact CZ-OE2 3.23Å; R12-E48 IonicContact NE-OE2 3.67Å; R12-E48 PolarHBondContact NE-OE2 3.04Å; R12-E48 IonicContact NH1-OE1 3.05Å; R12-E48 IonicContact NH1-OE2 2.76Å; R12-E48 PolarHBondContact NH1-OE2 3.49Å; R12-E48 PolarHBondContact O-N 2.9Å; R12-S49 PolarHBondContact N-O 3.1Å; R12-S49 PolarHBondContact N-OG 2.72Å; R12-S49 VanDerWaalsContact N-OG 3.12Å; R12-S49 PolarHBondContact O-N 2.67Å
13I98.4Very high78.9Confident0 Ų076.6 Ų76.60%041%0.406CS..EExtended strand (participates in β ladder)trans-129.6140.8178.9-173.1166.1000110.1F15 C28 I45 R46 V47 W52 V54 L67I13-F15 HydrophobicContact CB-CE2 4.4Å; I13-F15 HydrophobicContact CD1-CE1 3.84Å; I13-F15 HydrophobicContact CD1-CE2 4.14Å; I13-F15 HydrophobicContact CD1-CZ 3.53Å; I13-F15 HydrophobicContact CG1-CD2 4.46Å; I13-F15 HydrophobicContact CG1-CE1 4.3Å; I13-F15 HydrophobicContact CG1-CE2 3.97Å; I13-F15 HydrophobicContact CG1-CZ 3.88Å; I13-F15 HydrophobicContact CG2-CD2 4.49Å; I13-F15 HydrophobicContact CG2-CE2 3.61Å; I13-F15 HydrophobicContact CG2-CZ 3.97Å; I13-C28 HydrophobicContact CG2-CB 3.8Å; I13-C28 PolarHBondContact N-O 3.08Å; I13-C28 PolarHBondContact O-N 3.42Å; I13-I45 HydrophobicContact CD1-CG2 3.77Å; I13-I45 HydrophobicContact CG1-CG2 3.69Å; I13-R46 CarbonylContact C-O 3.55Å; I13-R46 WeakPolarHBondContact CA-O 3.41Å; I13-V47 HydrophobicContact CD1-CG2 3.95Å; I13-V47 HydrophobicContact CG1-CG2 4.06Å; I13-W52 HydrophobicContact CB-CD2 3.93Å; I13-W52 HydrophobicContact CB-CE3 4.48Å; I13-W52 HydrophobicContact CB-CG 4.23Å; I13-W52 HydrophobicContact CB-CZ2 4.07Å; I13-W52 HydrophobicContact CD1-CB 4.04Å; I13-W52 HydrophobicContact CD1-CD2 4.24Å; I13-W52 HydrophobicContact CD1-CG 3.93Å; I13-W52 HydrophobicContact CG2-CD2 3.65Å; I13-W52 HydrophobicContact CG2-CE3 3.7Å; I13-W52 HydrophobicContact CG2-CG 4.39Å; I13-W52 HydrophobicContact CG2-CH2 3.66Å; I13-W52 HydrophobicContact CG2-CZ2 3.62Å; I13-W52 HydrophobicContact CG2-CZ3 3.71Å; I13-V54 HydrophobicContact CD1-CG1 3.97Å; I13-L67 HydrophobicContact CD1-CD1 3.91Å
14I98.5Very high81.7Confident3 Ų377.5 Ų77.52%0.01540%0.395CS..EExtended strand (participates in β ladder)trans-125.8123.5178.2-49.4173.8000108.2Y16 R25 Y26 E27 I45 R46 E48I14-Y16 HydrophobicContact CB-CE2 3.82Å; I14-Y16 HydrophobicContact CG2-CD2 4.13Å; I14-Y16 HydrophobicContact CG2-CE1 4.25Å; I14-Y16 HydrophobicContact CG2-CE2 3.45Å; I14-Y16 VanDerWaalsContact CG2-CE2 3.45Å; I14-R25 HydrophobicContact CG2-CB 4.14Å; I14-Y26 WeakPolarHBondContact CA-O 3.35Å; I14-E27 HydrophobicContact CG1-CG 4.26Å; I14-I45 CarbonylContact O-C 3.57Å; I14-I45 VanDerWaalsContact O-CA 3.32Å; I14-I45 WeakPolarHBondContact O-CA 3.09Å; I14-R46 HydrophobicContact CB-CB 4.48Å; I14-R46 PolarHBondContact N-O 2.96Å; I14-R46 PolarHBondContact O-N 2.85Å; I14-E48 HydrophobicContact CD1-CG 4.35Å; I14-E48 WeakPolarHBondContact CD1-OE1 3.38Å
15F98.6Very high84.3Confident0 Ų080 Ų800%039%0.39CS..EExtended strand (participates in β ladder)trans-102.1142.7176.9-56.7-91.9000109.4I13 R25 Y26 C28 F35 L39 I45 V54 L85 C88I13-F15 HydrophobicContact CB-CE2 4.4Å; I13-F15 HydrophobicContact CD1-CE1 3.84Å; I13-F15 HydrophobicContact CD1-CE2 4.14Å; I13-F15 HydrophobicContact CD1-CZ 3.53Å; I13-F15 HydrophobicContact CG1-CD2 4.46Å; I13-F15 HydrophobicContact CG1-CE1 4.3Å; I13-F15 HydrophobicContact CG1-CE2 3.97Å; I13-F15 HydrophobicContact CG1-CZ 3.88Å; I13-F15 HydrophobicContact CG2-CD2 4.49Å; I13-F15 HydrophobicContact CG2-CE2 3.61Å; I13-F15 HydrophobicContact CG2-CZ 3.97Å; F15-R25 CarbonylContact O-C 3.56Å; F15-R25 WeakPolarHBondContact O-CA 3.33Å; F15-R25 WeakPolarHBondContact O-CB 3.29Å; F15-Y26 AromaticContact CD2-CD1 3.96Å; F15-Y26 HydrophobicContact CD2-CD1 3.96Å; F15-Y26 HydrophobicContact CE2-CD1 4.43Å; F15-Y26 PolarHBondContact N-O 2.83Å; F15-Y26 PolarHBondContact O-N 2.67Å; F15-C28 HydrophobicContact CE2-CB 4.27Å; F15-F35 HydrophobicContact CD1-CZ 4.33Å; F15-F35 HydrophobicContact CE1-CE1 4.47Å; F15-F35 HydrophobicContact CE1-CZ 4.07Å; F15-F35 HydrophobicContact CE2-CE1 4.27Å; F15-F35 HydrophobicContact CE2-CZ 4.46Å; F15-F35 HydrophobicContact CZ-CE1 4.09Å; F15-F35 HydrophobicContact CZ-CZ 4.15Å; F15-L39 HydrophobicContact CB-CD1 3.27Å; F15-L39 HydrophobicContact CG-CD1 4.33Å; F15-I45 HydrophobicContact CD1-CD1 3.85Å; F15-I45 HydrophobicContact CD1-CG1 3.85Å; F15-I45 HydrophobicContact CE1-CD1 3.98Å; F15-I45 HydrophobicContact CE1-CG1 4.4Å; F15-V54 HydrophobicContact CE1-CB 4.43Å; F15-V54 HydrophobicContact CE1-CG1 3.75Å; F15-V54 HydrophobicContact CZ-CG1 3.9Å; F15-L85 HydrophobicContact CD1-CD1 4.4Å; F15-L85 HydrophobicContact CE1-CD1 4.32Å; F15-C88 HydrophobicContact CZ-CB 3.96Å
16Y98.6Very high87Confident11 Ų1177.1 Ų77.14%0.04336%0.364CS..EExtended strand (participates in β ladder)trans-129.8135.3-177-63.9-97.2000110.5I14 D18 F21 R24 R25 C42 N43 S44 R46I14-Y16 HydrophobicContact CB-CE2 3.82Å; I14-Y16 HydrophobicContact CG2-CD2 4.13Å; I14-Y16 HydrophobicContact CG2-CE1 4.25Å; I14-Y16 HydrophobicContact CG2-CE2 3.45Å; I14-Y16 VanDerWaalsContact CG2-CE2 3.45Å; Y16-D18 VanDerWaalsContact C-N 3.26Å; Y16-D18 PolarHBondContact O-N 2.87Å; Y16-F21 HydrophobicContact CD1-CB 4.09Å; Y16-F21 WeakPolarHBondContact CD1-O 3.45Å; Y16-F21 HydrophobicContact CD2-CB 4.22Å; Y16-F21 HydrophobicContact CD2-CD1 4.01Å; Y16-F21 HydrophobicContact CE1-CB 3.88Å; Y16-F21 WeakPolarHBondContact CE1-O 3.18Å; Y16-F21 HydrophobicContact CE2-CB 4.03Å; Y16-F21 AromaticContact CE2-CD1 3.96Å; Y16-F21 HydrophobicContact CE2-CD1 3.96Å; Y16-F21 HydrophobicContact CE2-CG 4.42Å; Y16-F21 HydrophobicContact CG-CB 4.25Å; Y16-R24 WeakPolarHBondContact CA-O 3.43Å; Y16-R25 HydrophobicContact CD1-CB 3.81Å; Y16-R25 HydrophobicContact CE1-CB 3.99Å; Y16-R25 HydrophobicContact CG-CB 4.39Å; Y16-C42 CarbonylContact O-C 3.56Å; Y16-C42 WeakPolarHBondContact O-CA 3.24Å; Y16-N43 PolarHBondContact O-N 3.48Å; Y16-S44 WeakPolarHBondContact CB-O 3.37Å; Y16-S44 WeakPolarHBondContact CB-OG 3.42Å; Y16-S44 PolarHBondContact N-O 2.93Å; Y16-S44 PolarHBondContact O-N 2.87Å; Y16-R46 HydrophobicContact CE2-CB 4.27Å; Y16-R46 HydrophobicContact CE2-CG 4.04Å; Y16-R46 PolarHBondContact OH-NH1 3.48Å
17E97.8Very high89.6Confident15 Ų1573.5 Ų73.57%0.0734%0.343CS..SBendtrans-62.9-33.6-179.4-73.2-161.9136.600113.1R24 L39 S40 R41 N43E17-R24 VanDerWaalsContact CD-NE 3.33Å; E17-R24 VanDerWaalsContact CD-NH2 3.27Å; E17-R24 HydrophobicContact CG-CB 4.04Å; E17-R24 PolarHBondContact N-O 2.93Å; E17-R24 IonicContact OE1-CZ 2.81Å; E17-R24 IonicContact OE1-NE 2.71Å; E17-R24 PolarHBondContact OE1-NE 2.94Å; E17-R24 IonicContact OE1-NH2 3.71Å; E17-R24 PolarHBondContact OE1-NH2 2.91Å; E17-R24 IonicContact OE2-CZ 3.53Å; E17-R24 VanDerWaalsContact OE2-CZ 3.31Å; E17-R24 IonicContact OE2-NE 2.88Å; E17-R24 PolarHBondContact OE2-NE 3.23Å; E17-R24 IonicContact OE2-NH2 3.67Å; E17-R24 PolarHBondContact OE2-NH2 2.93Å; E17-L39 HydrophobicContact CB-CD2 4.26Å; E17-L39 HydrophobicContact CG-CD2 3.16Å; E17-S40 PolarHBondContact OE1-N 3.3Å; E17-S40 PolarHBondContact OE1-OG 2.89Å; E17-R41 WeakPolarHBondContact CA-O 3.44Å; E17-R41 HydrophobicContact CB-CG 4.21Å; E17-R41 HydrophobicContact CG-CG 4.38Å; E17-R41 PolarHBondContact O-NE 2.74Å; E17-N43 WeakPolarHBondContact O-CB 3.34Å; E17-N43 PolarHBondContact O-ND2 2.74Å
18D98.3Very high92.1Very high55 Ų5564.9 Ų64.929%0.29431%0.306SS..SBendtrans-112.3169-175.7-58.5-38.6000111.5Y16 Q22 G23 R41 N43 S44Y16-D18 VanDerWaalsContact C-N 3.26Å; Y16-D18 PolarHBondContact O-N 2.87Å; D18-Q22 HydrophobicContact CB-CB 4.1Å; D18-Q22 PolarHBondContact N-O 2.83Å; D18-G23 WeakPolarHBondContact OD2-CA 3.42Å; D18-R41 IonicContact OD1-CZ 3.16Å; D18-R41 IonicContact OD1-NE 3.33Å; D18-R41 IonicContact OD1-NH2 2.68Å; D18-R41 PolarHBondContact OD1-NH2 3.02Å; D18-N43 VanDerWaalsContact C-CB 3.47Å; D18-S44 WeakPolarHBondContact O-CB 3.5Å; D18-S44 PolarHBondContact O-N 3.47Å; D18-S44 PolarHBondContact O-OG 3.29Å
19K98.6Very high94.3Very high86 Ų8661.3 Ų61.337%0.37429%0.287SS..G310 helixtrans-67.4159.9177.3-63.9-178.4174.2-161.20110.9F21 Q22 N43 E74K19-F21 PolarHBondContact O-N 2.97Å; K19-Q22 WeakPolarHBondContact O-CG 3.32Å; K19-Q22 PolarHBondContact O-N 3.16Å; K19-N43 HydrophobicContact CG-CB 4Å; K19-E74 HydrophobicContact CB-CG 4.42Å; K19-E74 HydrophobicContact CD-CG 4.03Å; K19-E74 WeakPolarHBondContact CD-OE2 3.32Å; K19-E74 WeakPolarHBondContact CE-OE2 3.19Å; K19-E74 HydrophobicContact CG-CG 4.22Å; K19-E74 IonicContact NZ-OE2 3.31Å; K19-E74 PolarHBondContact NZ-OE2 2.87Å
20N98.5Very high96.2Very high93 Ų9358.5 Ų58.550%0.49728%0.283SS..G310 helixtrans55.437.7174.6-54.7-55.6000113.7Q22 P73N20-Q22 VanDerWaalsContact C-N 3.32Å; N20-Q22 PolarHBondContact O-N 2.82Å; N20-Q22 PolarHBondContact O-NE2 2.86Å; N20-P73 PolarHBondContact N-O 3.18Å; N20-P73 WeakPolarHBondContact OD1-CB 3.31Å
21F98.4Very high97.3Very high28 Ų2855.8 Ų55.812%0.12327%0.271CS..G310 helixtrans62.935.2173-36.4-62.6000113.7Y16 K19 S44 I45 R46 E71 P73Y16-F21 HydrophobicContact CD1-CB 4.09Å; Y16-F21 WeakPolarHBondContact CD1-O 3.45Å; Y16-F21 HydrophobicContact CD2-CB 4.22Å; Y16-F21 HydrophobicContact CD2-CD1 4.01Å; Y16-F21 HydrophobicContact CE1-CB 3.88Å; Y16-F21 WeakPolarHBondContact CE1-O 3.18Å; Y16-F21 HydrophobicContact CE2-CB 4.03Å; Y16-F21 AromaticContact CE2-CD1 3.96Å; Y16-F21 HydrophobicContact CE2-CD1 3.96Å; Y16-F21 HydrophobicContact CE2-CG 4.42Å; Y16-F21 HydrophobicContact CG-CB 4.25Å; K19-F21 PolarHBondContact O-N 2.97Å; F21-S44 VanDerWaalsContact CA-OG 3.3Å; F21-S44 WeakPolarHBondContact CA-OG 3.49Å; F21-S44 PolarHBondContact N-OG 3.19Å; F21-I45 WeakPolarHBondContact CE1-O 3.08Å; F21-R46 HydrophobicContact CD1-CG 3.6Å; F21-R46 HydrophobicContact CE1-CG 3.65Å; F21-R46 HydrophobicContact CG-CG 4.21Å; F21-R46 HydrophobicContact CZ-CG 4.28Å; F21-E71 HydrophobicContact CE1-CB 4.5Å; F21-E71 HydrophobicContact CE2-CB 4.44Å; F21-E71 HydrophobicContact CZ-CB 3.78Å; F21-E71 HydrophobicContact CZ-CG 4.35Å; F21-P73 HydrophobicContact CE2-CB 4.3Å; F21-P73 HydrophobicContact CZ-CB 3.93Å
22Q98.3Very high97.7Very high120 Ų12056.5 Ų56.556%0.56128%0.276SS*.  trans-105.8171.2-179.8-57.4-54.3-54.100112.2D18 K19 N20D18-Q22 HydrophobicContact CB-CB 4.1Å; D18-Q22 PolarHBondContact N-O 2.83Å; K19-Q22 WeakPolarHBondContact O-CG 3.32Å; K19-Q22 PolarHBondContact O-N 3.16Å; N20-Q22 VanDerWaalsContact C-N 3.32Å; N20-Q22 PolarHBondContact O-N 2.82Å; N20-Q22 PolarHBondContact O-NE2 2.86Å
23G97.3Very high97.8Very high50 Ų5055.6 Ų55.652%0.51528%0.281SS..SBendtrans78.8-160.817600000113.4D18D18-G23 WeakPolarHBondContact OD2-CA 3.42Å
24R97.5Very high97.7Very high149 Ų14958.3 Ų58.356%0.56230%0.295SS*.SBendtrans-66.2149.4174.2-65.2-173.7-69.4176-1.4109.7Y16 E17Y16-R24 WeakPolarHBondContact CA-O 3.43Å; E17-R24 VanDerWaalsContact CD-NE 3.33Å; E17-R24 VanDerWaalsContact CD-NH2 3.27Å; E17-R24 HydrophobicContact CG-CB 4.04Å; E17-R24 PolarHBondContact N-O 2.93Å; E17-R24 IonicContact OE1-CZ 2.81Å; E17-R24 IonicContact OE1-NE 2.71Å; E17-R24 PolarHBondContact OE1-NE 2.94Å; E17-R24 IonicContact OE1-NH2 3.71Å; E17-R24 PolarHBondContact OE1-NH2 2.91Å; E17-R24 IonicContact OE2-CZ 3.53Å; E17-R24 VanDerWaalsContact OE2-CZ 3.31Å; E17-R24 IonicContact OE2-NE 2.88Å; E17-R24 PolarHBondContact OE2-NE 3.23Å; E17-R24 IonicContact OE2-NH2 3.67Å; E17-R24 PolarHBondContact OE2-NH2 2.93Å
25R97.6Very high97.6Very high160 Ų16058.1 Ų58.160%0.60430%0.295SS*.EExtended strand (participates in β ladder)trans-132.6151.4179.470.8178.3-177.7177.9-0.7112.1I14 F15 Y16I14-R25 HydrophobicContact CG2-CB 4.14Å; F15-R25 CarbonylContact O-C 3.56Å; F15-R25 WeakPolarHBondContact O-CA 3.33Å; F15-R25 WeakPolarHBondContact O-CB 3.29Å; Y16-R25 HydrophobicContact CD1-CB 3.81Å; Y16-R25 HydrophobicContact CE1-CB 3.99Å; Y16-R25 HydrophobicContact CG-CB 4.39Å
26Y97.8Very high97.2Very high41 Ų4163 Ų6316%0.16132%0.317CS..EExtended strand (participates in β ladder)trans-124.8132169.7177.2-112.3000108.6I14 F15 C28 C32 F35 Y38 L39I14-Y26 WeakPolarHBondContact CA-O 3.35Å; F15-Y26 AromaticContact CD2-CD1 3.96Å; F15-Y26 HydrophobicContact CD2-CD1 3.96Å; F15-Y26 HydrophobicContact CE2-CD1 4.43Å; F15-Y26 PolarHBondContact N-O 2.83Å; F15-Y26 PolarHBondContact O-N 2.67Å; Y26-C28 HydrophobicContact CE1-CB 3.92Å; Y26-C32 PolarHBondContact OH-SG 2.94Å; Y26-C32 VanDerWaalsContact OH-SG 3.42Å; Y26-F35 HydrophobicContact CD1-CB 3.74Å; Y26-F35 HydrophobicContact CD1-CD1 4.38Å; Y26-F35 HydrophobicContact CD1-CD2 4.43Å; Y26-F35 AromaticContact CD1-CG 3.97Å; Y26-F35 HydrophobicContact CD1-CG 3.97Å; Y26-F35 HydrophobicContact CE1-CB 3.39Å; Y26-F35 HydrophobicContact CE1-CD1 4.03Å; Y26-F35 AromaticContact CE1-CG 3.85Å; Y26-F35 HydrophobicContact CE1-CG 3.85Å; Y26-F35 HydrophobicContact CE2-CB 4.45Å; Y26-F35 HydrophobicContact CG-CB 4.41Å; Y26-Y38 HydrophobicContact CD2-CD1 4.27Å; Y26-Y38 AromaticContact CD2-CD2 3.95Å; Y26-Y38 HydrophobicContact CD2-CD2 3.95Å; Y26-Y38 AromaticContact CD2-CG 3.66Å; Y26-Y38 HydrophobicContact CD2-CG 3.66Å; Y26-Y38 HydrophobicContact CE2-CD1 4.27Å; Y26-Y38 AromaticContact CE2-CD2 3.55Å; Y26-Y38 HydrophobicContact CE2-CD2 3.55Å; Y26-Y38 HydrophobicContact CE2-CE2 4.02Å; Y26-Y38 AromaticContact CE2-CG 3.69Å; Y26-Y38 HydrophobicContact CE2-CG 3.69Å; Y26-L39 HydrophobicContact CG-CD1 4.39Å
27E97.6Very high96.7Very high70 Ų7067.2 Ų67.233%0.32734%0.344SS..EExtended strand (participates in β ladder)trans-107.2135.4177.2179.1179.4151.700109.1R12 I14R12-E27 IonicContact CZ-OE1 3.16Å; R12-E27 IonicContact CZ-OE2 2.84Å; R12-E27 VanDerWaalsContact NE-CD 3.26Å; R12-E27 IonicContact NE-OE1 2.78Å; R12-E27 PolarHBondContact NE-OE1 2.96Å; R12-E27 IonicContact NE-OE2 3.84Å; R12-E27 IonicContact NH2-OE1 3.34Å; R12-E27 PolarHBondContact NH2-OE1 2.81Å; R12-E27 IonicContact NH2-OE2 3.72Å; R12-E27 PolarHBondContact NH2-OE2 3.39Å; I14-E27 HydrophobicContact CG1-CG 4.26Å
28C96.8Very high96.4Very high4 Ų473.2 Ų73.23%0.02737%0.367CS..EExtended strand (participates in β ladder)trans-132137.6177.4-153.70000110.8I13 F15 Y26 S30I13-C28 HydrophobicContact CG2-CB 3.8Å; I13-C28 PolarHBondContact N-O 3.08Å; I13-C28 PolarHBondContact O-N 3.42Å; F15-C28 HydrophobicContact CE2-CB 4.27Å; Y26-C28 HydrophobicContact CE1-CB 3.92Å; C28-S30 PolarHBondContact SG-O 3.43Å
29D96.5Very high96.2Very high74 Ų7470.7 Ų70.740%0.39635%0.354SS..SBendtrans-128.913.1176.361.61.7000112.9K9 G11K9-D29 HydrophobicContact CD-CB 4.44Å; K9-D29 IonicContact NZ-OD2 2.72Å; K9-D29 PolarHBondContact NZ-OD2 3.43Å; G11-D29 WeakPolarHBondContact O-CA 3.41Å
30S95.5Very high95.8Very high63 Ų6370.7 Ų70.744%0.44137%0.365SS..SBendtrans-149.7177.9175.152.90000111C28 W52C28-S30 PolarHBondContact SG-O 3.43Å; S30-W52 WeakPolarHBondContact O-CZ3 3.48Å
31D97.1Very high95.7Very high75 Ų7571.4 Ų71.440%0.40136%0.36SS..  trans-59.2136.1170.1-73.31.5000110.7K89 I90D31-K89 WeakPolarHBondContact OD1-CA 3.45Å; D31-I90 WeakPolarHBondContact OD1-CG2 3.42Å; D31-I90 PolarHBondContact OD1-N 3.01Å
32C97.6Very high95.7Very high15 Ų1570 Ų7010%0.10135%0.354CS..BIsolated β-bridgetrans-132.1115.9177.2-175.60000109.9Y26 F35 Y60 S87 C88Y26-C32 PolarHBondContact OH-SG 2.94Å; Y26-C32 VanDerWaalsContact OH-SG 3.42Å; C32-F35 HydrophobicContact CB-CD1 4.29Å; C32-Y60 WeakPolarHBondContact O-CE1 3.48Å; C32-S87 CarbonylContact O-C 3.09Å; C32-S87 VanDerWaalsContact O-CA 3.22Å; C32-S87 WeakPolarHBondContact O-CA 3.17Å; C32-S87 WeakPolarHBondContact O-CB 3.37Å; C32-C88 PolarHBondContact N-O 3.3Å; C32-C88 PolarHBondContact O-N 3.22Å
33S97.6Very high95.7Very high55 Ų5565.1 Ų65.139%0.38533%0.332SS..SBendtrans-80.3-21.4-179.160.10000113.5P58 N59 S87S33-P58 CarbonylContact O-C 3.59Å; S33-P58 WeakPolarHBondContact O-CA 3.28Å; S33-N59 PolarHBondContact O-N 3.48Å; S33-S87 VanDerWaalsContact O-CB 3.31Å; S33-S87 WeakPolarHBondContact O-CB 3.16Å
34D97.6Very high95.8Very high57 Ų5762.7 Ų62.731%0.30531%0.307SS..  trans-158.7116.7174.3-169.5-0.4000110.7H36 P58 S86D34-H36 VanDerWaalsContact OD1-CB 3.28Å; D34-H36 WeakPolarHBondContact OD1-CB 3.44Å; D34-H36 IonicContact OD1-CG 3.54Å; D34-H36 PolarHBondContact OD1-N 3.14Å; D34-H36 IonicContact OD1-ND1 2.94Å; D34-H36 PolarHBondContact OD1-ND1 3.13Å; D34-H36 IonicContact OD2-CE1 3.73Å; D34-H36 IonicContact OD2-ND1 2.86Å; D34-H36 PolarHBondContact OD2-ND1 2.77Å; D34-P58 HydrophobicContact CB-CB 4.14Å; D34-S86 CarbonylContact C-O 3.54Å; D34-S86 VanDerWaalsContact CA-O 3.22Å; D34-S86 WeakPolarHBondContact CA-O 3.32Å
35F95.9Very high95.8Very high0 Ų055.6 Ų55.60%028%0.28CS..  trans-115.112.5171.356.5-108.2000113.8F15 Y26 C32 T37 Y38 L39 L85 S86 S87 C88F15-F35 HydrophobicContact CD1-CZ 4.33Å; F15-F35 HydrophobicContact CE1-CE1 4.47Å; F15-F35 HydrophobicContact CE1-CZ 4.07Å; F15-F35 HydrophobicContact CE2-CE1 4.27Å; F15-F35 HydrophobicContact CE2-CZ 4.46Å; F15-F35 HydrophobicContact CZ-CE1 4.09Å; F15-F35 HydrophobicContact CZ-CZ 4.15Å; Y26-F35 HydrophobicContact CD1-CB 3.74Å; Y26-F35 HydrophobicContact CD1-CD1 4.38Å; Y26-F35 HydrophobicContact CD1-CD2 4.43Å; Y26-F35 AromaticContact CD1-CG 3.97Å; Y26-F35 HydrophobicContact CD1-CG 3.97Å; Y26-F35 HydrophobicContact CE1-CB 3.39Å; Y26-F35 HydrophobicContact CE1-CD1 4.03Å; Y26-F35 AromaticContact CE1-CG 3.85Å; Y26-F35 HydrophobicContact CE1-CG 3.85Å; Y26-F35 HydrophobicContact CE2-CB 4.45Å; Y26-F35 HydrophobicContact CG-CB 4.41Å; C32-F35 HydrophobicContact CB-CD1 4.29Å; F35-T37 PolarHBondContact O-N 3.02Å; F35-T37 VanDerWaalsContact O-N 3.15Å; F35-Y38 HydrophobicContact CB-CD2 4.14Å; F35-Y38 PolarHBondContact O-N 2.92Å; F35-L39 HydrophobicContact CD2-CB 4.42Å; F35-L39 PolarHBondContact O-N 3.14Å; F35-L85 VanDerWaalsContact CE2-C 3.5Å; F35-L85 HydrophobicContact CE2-CB 4.17Å; F35-L85 WeakPolarHBondContact CE2-O 3.47Å; F35-L85 HydrophobicContact CZ-CB 3.9Å; F35-S86 WeakPolarHBondContact CD1-O 3.29Å; F35-S86 PolarHBondContact N-O 2.98Å; F35-S87 VanDerWaalsContact CE1-C 3.5Å; F35-S87 VanDerWaalsContact CE1-CA 3.44Å; F35-S87 VanDerWaalsContact CE1-N 3.31Å; F35-C88 HydrophobicContact CE1-CB 4.24Å
36H90.1Very high95.9Very high102 Ų10251.8 Ų51.847%0.47227%0.266SS..THydrogen-bonded Turntrans-61-28.7-176.395.8-86.8000112.7D34 Y38 L39D34-H36 VanDerWaalsContact OD1-CB 3.28Å; D34-H36 WeakPolarHBondContact OD1-CB 3.44Å; D34-H36 IonicContact OD1-CG 3.54Å; D34-H36 PolarHBondContact OD1-N 3.14Å; D34-H36 IonicContact OD1-ND1 2.94Å; D34-H36 PolarHBondContact OD1-ND1 3.13Å; D34-H36 IonicContact OD2-CE1 3.73Å; D34-H36 IonicContact OD2-ND1 2.86Å; D34-H36 PolarHBondContact OD2-ND1 2.77Å; H36-Y38 PolarHBondContact O-N 3.18Å; H36-L39 CarbonylContact C-O 3.48Å; H36-L39 WeakPolarHBondContact CA-O 3.23Å; H36-L39 CarbonylContact O-C 3.58Å; H36-L39 VanDerWaalsContact O-O 3.05Å
37T88.9Confident95.9Very high100 Ų10050 Ų5061%0.61326%0.259SS*.THydrogen-bonded Turntrans-68.7-23.517754.10000112.6F35F35-T37 PolarHBondContact O-N 3.02Å; F35-T37 VanDerWaalsContact O-N 3.15Å
38Y91.2Very high95.9Very high140 Ų14050.2 Ų50.255%0.54926%0.261SS..THydrogen-bonded Turntrans-94.4-34178.7-55.4-77.1000112.1Y26 F35 H36Y26-Y38 HydrophobicContact CD2-CD1 4.27Å; Y26-Y38 AromaticContact CD2-CD2 3.95Å; Y26-Y38 HydrophobicContact CD2-CD2 3.95Å; Y26-Y38 AromaticContact CD2-CG 3.66Å; Y26-Y38 HydrophobicContact CD2-CG 3.66Å; Y26-Y38 HydrophobicContact CE2-CD1 4.27Å; Y26-Y38 AromaticContact CE2-CD2 3.55Å; Y26-Y38 HydrophobicContact CE2-CD2 3.55Å; Y26-Y38 HydrophobicContact CE2-CE2 4.02Å; Y26-Y38 AromaticContact CE2-CG 3.69Å; Y26-Y38 HydrophobicContact CE2-CG 3.69Å; F35-Y38 HydrophobicContact CB-CD2 4.14Å; F35-Y38 PolarHBondContact O-N 2.92Å; H36-Y38 PolarHBondContact O-N 3.18Å
39L92.8Very high95.8Very high2 Ų251.7 Ų51.71%0.0127%0.271CS..  trans-135.5122.3-179.7-82173.8000111F15 E17 Y26 F35 H36 R41F15-L39 HydrophobicContact CB-CD1 3.27Å; F15-L39 HydrophobicContact CG-CD1 4.33Å; E17-L39 HydrophobicContact CB-CD2 4.26Å; E17-L39 HydrophobicContact CG-CD2 3.16Å; Y26-L39 HydrophobicContact CG-CD1 4.39Å; F35-L39 HydrophobicContact CD2-CB 4.42Å; F35-L39 PolarHBondContact O-N 3.14Å; H36-L39 CarbonylContact C-O 3.48Å; H36-L39 WeakPolarHBondContact CA-O 3.23Å; H36-L39 CarbonylContact O-C 3.58Å; H36-L39 VanDerWaalsContact O-O 3.05Å; L39-R41 VanDerWaalsContact C-N 3.34Å
40S91.8Very high95.7Very high87 Ų8748.4 Ų48.461%0.60826%0.255SS*.SBendtrans-78.9-21.717964.50000113.5E17E17-S40 PolarHBondContact OE1-N 3.3Å; E17-S40 PolarHBondContact OE1-OG 2.89Å
41R96.1Very high95.7Very high107 Ų10745.4 Ų45.440%0.40423%0.234SC..  trans-159166.618062.3-176.4-172.1-163.40.8109.5E17 D18 L39 D83E17-R41 WeakPolarHBondContact CA-O 3.44Å; E17-R41 HydrophobicContact CB-CG 4.21Å; E17-R41 HydrophobicContact CG-CG 4.38Å; E17-R41 PolarHBondContact O-NE 2.74Å; D18-R41 IonicContact OD1-CZ 3.16Å; D18-R41 IonicContact OD1-NE 3.33Å; D18-R41 IonicContact OD1-NH2 2.68Å; D18-R41 PolarHBondContact OD1-NH2 3.02Å; L39-R41 VanDerWaalsContact C-N 3.34Å; R41-D83 CarbonylContact C-O 3.57Å; R41-D83 WeakPolarHBondContact CA-O 3.43Å
42C98.3Very high95.8Very high0 Ų041.9 Ų41.90%022%0.215CC..  trans-141.1109.7178.7-179.40000110.8Y16 I45 D83 L85Y16-C42 CarbonylContact O-C 3.56Å; Y16-C42 WeakPolarHBondContact O-CA 3.24Å; C42-I45 VanDerWaalsContact SG-CG1 3.53Å; C42-D83 PolarHBondContact N-O 3.38Å; C42-D83 WeakPolarHBondContact O-CA 3.35Å; C42-D83 WeakPolarHBondContact O-CB 3.43Å; C42-L85 HydrophobicContact CB-CB 4.27Å; C42-L85 HydrophobicContact CB-CD1 4.16Å; C42-L85 HydrophobicContact CB-CG 4.45Å
43N98.4Very high95.8Very high16 Ų1641.2 Ų41.29%0.08621%0.21CC..SBendtrans-107.1-14.6-179.5-80.8-83.7000113.5Y16 E17 D18 K19 E74 Y75 D83Y16-N43 PolarHBondContact O-N 3.48Å; E17-N43 WeakPolarHBondContact O-CB 3.34Å; E17-N43 PolarHBondContact O-ND2 2.74Å; D18-N43 VanDerWaalsContact C-CB 3.47Å; K19-N43 HydrophobicContact CG-CB 4Å; N43-E74 CarbonylContact O-C 3.56Å; N43-E74 WeakPolarHBondContact O-CA 3.16Å; N43-Y75 PolarHBondContact O-N 2.86Å; N43-Y75 WeakPolarHBondContact OD1-CD1 3.32Å; N43-D83 PolarHBondContact ND2-OD2 3.39Å; N43-D83 VanDerWaalsContact ND2-OD2 3.12Å; N43-D83 WeakPolarHBondContact OD1-CB 3.14Å
44S98.8Very high95.9Very high0 Ų038.6 Ų38.60%019%0.192CC..EExtended strand (participates in β ladder)trans-148.4154.2170.861.10000112.4Y16 D18 F21 Y72 P73Y16-S44 WeakPolarHBondContact CB-O 3.37Å; Y16-S44 WeakPolarHBondContact CB-OG 3.42Å; Y16-S44 PolarHBondContact N-O 2.93Å; Y16-S44 PolarHBondContact O-N 2.87Å; D18-S44 WeakPolarHBondContact O-CB 3.5Å; D18-S44 PolarHBondContact O-N 3.47Å; D18-S44 PolarHBondContact O-OG 3.29Å; F21-S44 VanDerWaalsContact CA-OG 3.3Å; F21-S44 WeakPolarHBondContact CA-OG 3.49Å; F21-S44 PolarHBondContact N-OG 3.19Å; S44-Y72 CarbonylContact C-O 3.37Å; S44-Y72 VanDerWaalsContact CA-O 3.27Å; S44-Y72 WeakPolarHBondContact CA-O 3.35Å; S44-Y72 VanDerWaalsContact CB-O 3.29Å; S44-Y72 WeakPolarHBondContact CB-O 3.22Å; S44-P73 VanDerWaalsContact CB-O 3.29Å; S44-P73 WeakPolarHBondContact CB-O 3.26Å
45I98.8Very high95.9Very high0 Ų036.8 Ų36.80%018%0.181CC..EExtended strand (participates in β ladder)trans-137.6139.4-175.1-63.1173.5000110I13 I14 F15 F21 C42 V47 L67 Y72 W78 L85I13-I45 HydrophobicContact CD1-CG2 3.77Å; I13-I45 HydrophobicContact CG1-CG2 3.69Å; I14-I45 CarbonylContact O-C 3.57Å; I14-I45 VanDerWaalsContact O-CA 3.32Å; I14-I45 WeakPolarHBondContact O-CA 3.09Å; F15-I45 HydrophobicContact CD1-CD1 3.85Å; F15-I45 HydrophobicContact CD1-CG1 3.85Å; F15-I45 HydrophobicContact CE1-CD1 3.98Å; F15-I45 HydrophobicContact CE1-CG1 4.4Å; F21-I45 WeakPolarHBondContact CE1-O 3.08Å; C42-I45 VanDerWaalsContact SG-CG1 3.53Å; I45-V47 HydrophobicContact CG2-CG2 4.09Å; I45-L67 HydrophobicContact CD1-CD1 3.82Å; I45-L67 HydrophobicContact CG2-CD1 4.1Å; I45-Y72 PolarHBondContact N-O 3.03Å; I45-Y72 WeakPolarHBondContact O-CA 3.46Å; I45-Y72 WeakPolarHBondContact O-CB 3.49Å; I45-Y72 PolarHBondContact O-N 2.93Å; I45-W78 HydrophobicContact CB-CE3 4.43Å; I45-W78 HydrophobicContact CB-CZ3 4.01Å; I45-W78 HydrophobicContact CD1-CD2 4.11Å; I45-W78 HydrophobicContact CD1-CE3 3.97Å; I45-W78 HydrophobicContact CD1-CH2 3.8Å; I45-W78 HydrophobicContact CD1-CZ2 3.91Å; I45-W78 HydrophobicContact CD1-CZ3 3.84Å; I45-W78 HydrophobicContact CG1-CE3 4.27Å; I45-W78 HydrophobicContact CG1-CH2 3.74Å; I45-W78 HydrophobicContact CG1-CZ2 4.33Å; I45-W78 HydrophobicContact CG1-CZ3 3.71Å; I45-L85 HydrophobicContact CD1-CD1 3.7Å
46R98.8Very high95.9Very high79 Ų7937.8 Ų37.830%0.29819%0.186SC..EExtended strand (participates in β ladder)trans-115.2124.2162.8-71.1-176.7167.1147.9-2.2109.8I13 I14 Y16 F21 E71I13-R46 CarbonylContact C-O 3.55Å; I13-R46 WeakPolarHBondContact CA-O 3.41Å; I14-R46 HydrophobicContact CB-CB 4.48Å; I14-R46 PolarHBondContact N-O 2.96Å; I14-R46 PolarHBondContact O-N 2.85Å; Y16-R46 HydrophobicContact CE2-CB 4.27Å; Y16-R46 HydrophobicContact CE2-CG 4.04Å; Y16-R46 PolarHBondContact OH-NH1 3.48Å; F21-R46 HydrophobicContact CD1-CG 3.6Å; F21-R46 HydrophobicContact CE1-CG 3.65Å; F21-R46 HydrophobicContact CG-CG 4.21Å; F21-R46 HydrophobicContact CZ-CG 4.28Å; R46-E71 HydrophobicContact CG-CG 4.28Å; R46-E71 IonicContact CZ-OE1 3.23Å; R46-E71 IonicContact NE-OE1 2.66Å; R46-E71 PolarHBondContact NE-OE1 2.84Å; R46-E71 IonicContact NH2-OE1 3.72Å; R46-E71 PolarHBondContact NH2-OE1 2.88Å; R46-E71 VanDerWaalsContact NH2-OE1 3.16Å
47V98.4Very high96.3Very high4 Ų438.8 Ų38.82%0.02419%0.185CC..EExtended strand (participates in β ladder)trans-100.4102.6168-175.70000107I13 I45 G50 L67 T68 G70 Y72I13-V47 HydrophobicContact CD1-CG2 3.95Å; I13-V47 HydrophobicContact CG1-CG2 4.06Å; I45-V47 HydrophobicContact CG2-CG2 4.09Å; V47-G50 WeakPolarHBondContact CG1-O 3.4Å; V47-L67 HydrophobicContact CG2-CB 3.95Å; V47-L67 HydrophobicContact CG2-CD1 4.37Å; V47-T68 VanDerWaalsContact CB-O 3.31Å; V47-T68 WeakPolarHBondContact CB-O 3.36Å; V47-G70 PolarHBondContact N-O 2.9Å; V47-G70 PolarHBondContact O-N 3.06Å; V47-Y72 HydrophobicContact CG2-CE2 4.05Å
48E97.4Very high96.7Very high75 Ų7536 Ų3635%0.3517%0.169SC..EExtended strand (participates in β ladder)trans-75.8-36-179.4-66.2-169.116900111.7R12 I14 R69R12-E48 HydrophobicContact CB-CB 4.21Å; R12-E48 WeakPolarHBondContact CD-OE2 3.24Å; R12-E48 HydrophobicContact CG-CB 4.32Å; R12-E48 IonicContact CZ-OE2 2.94Å; R12-E48 VanDerWaalsContact CZ-OE2 3.23Å; R12-E48 IonicContact NE-OE2 3.67Å; R12-E48 PolarHBondContact NE-OE2 3.04Å; R12-E48 IonicContact NH1-OE1 3.05Å; R12-E48 IonicContact NH1-OE2 2.76Å; R12-E48 PolarHBondContact NH1-OE2 3.49Å; R12-E48 PolarHBondContact O-N 2.9Å; I14-E48 HydrophobicContact CD1-CG 4.35Å; I14-E48 WeakPolarHBondContact CD1-OE1 3.38Å; E48-R69 PolarHBondContact O-NE 3.29Å
49S95Very high97Very high34 Ų3434.4 Ų34.424%0.23817%0.17CC..EExtended strand (participates in β ladder)trans-155.2157.5176.162.20000112.9G11 R12 W52G11-S49 CarbonylContact C-O 3.55Å; G11-S49 VanDerWaalsContact CA-O 3.25Å; G11-S49 WeakPolarHBondContact CA-O 3.36Å; G11-S49 WeakPolarHBondContact CA-OG 3.45Å; R12-S49 PolarHBondContact N-O 3.1Å; R12-S49 PolarHBondContact N-OG 2.72Å; R12-S49 VanDerWaalsContact N-OG 3.12Å; R12-S49 PolarHBondContact O-N 2.67Å; S49-W52 PolarHBondContact O-NE1 2.99Å
50G93.6Very high97.2Very high6 Ų637.4 Ų37.46%0.06218%0.182CC..SBendtrans73.9-174.2-179.300000112.7V47 R69V47-G50 WeakPolarHBondContact CG1-O 3.4Å; G50-R69 PolarHBondContact O-N 3.23Å
51A96.5Very high97.3Very high0 Ų038.3 Ų38.30%018%0.177CC..EExtended strand (participates in β ladder)trans-122.6152.5172.700000110.2L67 T68 V91 F93 F181A51-L67 CarbonylContact C-O 3.57Å; A51-L67 VanDerWaalsContact CA-O 3.29Å; A51-L67 WeakPolarHBondContact CA-O 3.35Å; A51-T68 HydrophobicContact CB-CG2 4.42Å; A51-V91 HydrophobicContact CB-CB 4.17Å; A51-V91 PolarHBondContact O-N 3.3Å; A51-F93 HydrophobicContact CB-CD2 4.44Å; A51-F93 HydrophobicContact CB-CE2 3.44Å; A51-F93 VanDerWaalsContact CB-CE2 3.44Å; A51-F93 HydrophobicContact CB-CZ 3.98Å; A51-F181 HydrophobicContact CB-CE1 3.66Å; A51-F181 HydrophobicContact CB-CZ 3.75Å
52W98.1Very high97.3Very high0 Ų034.3 Ų34.30%017%0.17CC..EExtended strand (participates in β ladder)trans-139.9146.3-167.5-6581000111I13 S30 S49 V66 L67 C88 K89 I90I13-W52 HydrophobicContact CB-CD2 3.93Å; I13-W52 HydrophobicContact CB-CE3 4.48Å; I13-W52 HydrophobicContact CB-CG 4.23Å; I13-W52 HydrophobicContact CB-CZ2 4.07Å; I13-W52 HydrophobicContact CD1-CB 4.04Å; I13-W52 HydrophobicContact CD1-CD2 4.24Å; I13-W52 HydrophobicContact CD1-CG 3.93Å; I13-W52 HydrophobicContact CG2-CD2 3.65Å; I13-W52 HydrophobicContact CG2-CE3 3.7Å; I13-W52 HydrophobicContact CG2-CG 4.39Å; I13-W52 HydrophobicContact CG2-CH2 3.66Å; I13-W52 HydrophobicContact CG2-CZ2 3.62Å; I13-W52 HydrophobicContact CG2-CZ3 3.71Å; S30-W52 WeakPolarHBondContact O-CZ3 3.48Å; S49-W52 PolarHBondContact O-NE1 2.99Å; W52-V66 WeakPolarHBondContact O-CA 3.48Å; W52-L67 HydrophobicContact CB-CB 4.44Å; W52-L67 PolarHBondContact N-O 2.81Å; W52-L67 PolarHBondContact O-N 3.5Å; W52-C88 HydrophobicContact CE3-CB 4.25Å; W52-K89 CarbonylContact C-O 3.55Å; W52-K89 VanDerWaalsContact CA-O 3.28Å; W52-K89 WeakPolarHBondContact CA-O 3.36Å; W52-I90 HydrophobicContact CE3-CB 4.26Å; W52-I90 HydrophobicContact CH2-CB 4.19Å; W52-I90 HydrophobicContact CZ2-CB 4.44Å; W52-I90 HydrophobicContact CZ2-CD1 4.28Å; W52-I90 HydrophobicContact CZ2-CG1 4.32Å; W52-I90 HydrophobicContact CZ3-CB 4.09Å
53V98.4Very high97.3Very high1 Ų137.5 Ų37.51%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-108.6124.9161.5-1680000107.7Y55 Q64 Y65 V66 C88 K89 V91 F156V53-Y55 HydrophobicContact CB-CE2 3.9Å; V53-Y55 HydrophobicContact CG1-CD2 4.41Å; V53-Y55 HydrophobicContact CG1-CE1 4.11Å; V53-Y55 HydrophobicContact CG1-CE2 3.68Å; V53-Q64 HydrophobicContact CG1-CB 4.26Å; V53-Y65 WeakPolarHBondContact CA-O 3.32Å; V53-V66 HydrophobicContact CG2-CG1 4.34Å; V53-C88 CarbonylContact O-C 3.56Å; V53-C88 VanDerWaalsContact O-CA 3.23Å; V53-C88 WeakPolarHBondContact O-CA 3.21Å; V53-K89 PolarHBondContact N-O 2.93Å; V53-K89 PolarHBondContact O-N 2.88Å; V53-V91 HydrophobicContact CG2-CG2 3.72Å; V53-F156 HydrophobicContact CG1-CB 4.22Å; V53-F156 HydrophobicContact CG2-CB 4.18Å; V53-F156 HydrophobicContact CG2-CD1 3.6Å; V53-F156 HydrophobicContact CG2-CD2 3.97Å; V53-F156 HydrophobicContact CG2-CE1 3.77Å; V53-F156 HydrophobicContact CG2-CE2 4.16Å; V53-F156 HydrophobicContact CG2-CG 3.65Å; V53-F156 HydrophobicContact CG2-CZ 4.02Å
54V98.5Very high97.2Very high0 Ų037.6 Ų37.60%018%0.182CC..EExtended strand (participates in β ladder)trans-112.8144177.4-56.30000109.8I13 F15 Q64 Y65 L67 L85 C88I13-V54 HydrophobicContact CD1-CG1 3.97Å; F15-V54 HydrophobicContact CE1-CB 4.43Å; F15-V54 HydrophobicContact CE1-CG1 3.75Å; F15-V54 HydrophobicContact CZ-CG1 3.9Å; V54-Q64 CarbonylContact O-C 3.53Å; V54-Q64 WeakPolarHBondContact O-CA 3.5Å; V54-Y65 HydrophobicContact CG2-CD2 4.17Å; V54-Y65 HydrophobicContact CG2-CG 4.43Å; V54-Y65 PolarHBondContact N-O 2.85Å; V54-Y65 PolarHBondContact O-N 2.83Å; V54-L67 HydrophobicContact CB-CD1 4.45Å; V54-L67 HydrophobicContact CG1-CD1 3.69Å; V54-L67 HydrophobicContact CG2-CD1 3.83Å; V54-L67 HydrophobicContact CG2-CG 4.37Å; V54-L85 HydrophobicContact CB-CD1 4.24Å; V54-L85 HydrophobicContact CB-CD2 4.19Å; V54-L85 HydrophobicContact CG2-CD1 3.88Å; V54-L85 HydrophobicContact CG2-CD2 3.86Å; V54-C88 HydrophobicContact CB-CB 4.48Å; V54-C88 HydrophobicContact CG1-CB 3.9Å
55Y98.3Very high97.2Very high19 Ų1937.8 Ų37.88%0.07518%0.183CC..EExtended strand (participates in β ladder)trans-125.2140.6-170.4-59.9-97.2000111.1V53 R57 Y60 Y63 Q64 L85 S86 S87 K89V53-Y55 HydrophobicContact CB-CE2 3.9Å; V53-Y55 HydrophobicContact CG1-CD2 4.41Å; V53-Y55 HydrophobicContact CG1-CE1 4.11Å; V53-Y55 HydrophobicContact CG1-CE2 3.68Å; Y55-R57 VanDerWaalsContact C-N 3.31Å; Y55-R57 PolarHBondContact O-N 2.86Å; Y55-Y60 WeakPolarHBondContact CD1-O 3.37Å; Y55-Y60 AromaticContact CD2-CD1 3.99Å; Y55-Y60 HydrophobicContact CD2-CD1 3.99Å; Y55-Y60 WeakPolarHBondContact CE1-O 3.33Å; Y55-Y60 AromaticContact CE2-CD1 3.95Å; Y55-Y60 HydrophobicContact CE2-CD1 3.95Å; Y55-Y60 HydrophobicContact CE2-CG 4.38Å; Y55-Y63 CarbonylContact C-O 3.54Å; Y55-Y63 VanDerWaalsContact CA-O 3.3Å; Y55-Y63 WeakPolarHBondContact CA-O 3.41Å; Y55-Q64 HydrophobicContact CD1-CB 4.29Å; Y55-Q64 HydrophobicContact CD1-CG 3.78Å; Y55-Q64 HydrophobicContact CE1-CB 4.21Å; Y55-Q64 HydrophobicContact CE1-CG 3.65Å; Y55-L85 WeakPolarHBondContact O-CA 3.28Å; Y55-S86 PolarHBondContact O-N 2.88Å; Y55-S87 WeakPolarHBondContact CB-OG 3.33Å; Y55-S87 PolarHBondContact N-O 3.42Å; Y55-S87 PolarHBondContact O-N 2.92Å; Y55-K89 HydrophobicContact CE2-CG 4.3Å
56E97.1Very high97.2Very high22 Ų2238.4 Ų38.410%0.10319%0.186CC..EExtended strand (participates in β ladder)trans-57.3-42.9179.5-177.8-174.6-146.800112.3Y63 N82 R84 S86E56-Y63 VanDerWaalsContact CD-CD2 3.43Å; E56-Y63 HydrophobicContact CG-CD2 4.42Å; E56-Y63 PolarHBondContact N-O 2.85Å; E56-Y63 VanDerWaalsContact OE2-CD2 3.26Å; E56-Y63 WeakPolarHBondContact OE2-CD2 3.38Å; E56-N82 PolarHBondContact OE1-ND2 2.9Å; E56-R84 WeakPolarHBondContact CA-O 3.39Å; E56-R84 HydrophobicContact CG-CB 4.11Å; E56-S86 PolarHBondContact O-N 3.38Å; E56-S86 PolarHBondContact O-OG 2.91Å
57R96.8Very high97.2Very high122 Ų12234.7 Ų34.746%0.4617%0.172SC..EExtended strand (participates in β ladder)trans-113.3163.7-173.7-59.4-166.4-63.7-102.46.3112.2Y55 M61 G62 S87Y55-R57 VanDerWaalsContact C-N 3.31Å; Y55-R57 PolarHBondContact O-N 2.86Å; R57-M61 HydrophobicContact CB-CB 4.11Å; R57-M61 WeakPolarHBondContact CB-O 3.02Å; R57-M61 PolarHBondContact N-O 3.26Å; R57-G62 VanDerWaalsContact CZ-CA 3.49Å; R57-S87 PolarHBondContact O-OG 2.83Å
58P97.3Very high97.1Very high43 Ų4336.3 Ų36.328%0.27918%0.182SC..G310 helixtrans-58.7161.1171.9-25.335.5000112.1S33 D34 Y60S33-P58 CarbonylContact O-C 3.59Å; S33-P58 WeakPolarHBondContact O-CA 3.28Å; D34-P58 HydrophobicContact CB-CB 4.14Å; P58-Y60 VanDerWaalsContact C-N 3.3Å; P58-Y60 PolarHBondContact O-N 3.02Å
59N97.3Very high97.1Very high105 Ų10541.2 Ų41.256%0.56120%0.198SC*.G310 helixtrans5935.5177.2-54-59.6000114.1S33 M61S33-N59 PolarHBondContact O-N 3.48Å; N59-M61 WeakPolarHBondContact O-CG 3.48Å; N59-M61 PolarHBondContact O-N 2.84Å
60Y96.9Very high97.2Very high66 Ų6640.9 Ų40.926%0.25920%0.2SC..G310 helixtrans6438.2174.9-37.5-63000113.3C32 Y55 P58 S87 C88 K89C32-Y60 WeakPolarHBondContact O-CE1 3.48Å; Y55-Y60 WeakPolarHBondContact CD1-O 3.37Å; Y55-Y60 AromaticContact CD2-CD1 3.99Å; Y55-Y60 HydrophobicContact CD2-CD1 3.99Å; Y55-Y60 WeakPolarHBondContact CE1-O 3.33Å; Y55-Y60 AromaticContact CE2-CD1 3.95Å; Y55-Y60 HydrophobicContact CE2-CD1 3.95Å; Y55-Y60 HydrophobicContact CE2-CG 4.38Å; P58-Y60 VanDerWaalsContact C-N 3.3Å; P58-Y60 PolarHBondContact O-N 3.02Å; Y60-S87 WeakPolarHBondContact CA-OG 3.46Å; Y60-S87 PolarHBondContact N-OG 3.2Å; Y60-C88 WeakPolarHBondContact CE1-O 3.36Å; Y60-K89 HydrophobicContact CD1-CD 4.08Å; Y60-K89 HydrophobicContact CD1-CG 3.62Å; Y60-K89 VanDerWaalsContact CD2-CE 3.48Å; Y60-K89 HydrophobicContact CE1-CD 4.18Å; Y60-K89 HydrophobicContact CE1-CG 3.47Å; Y60-K89 VanDerWaalsContact CE1-CG 3.47Å; Y60-K89 VanDerWaalsContact CE2-CE 3.47Å; Y60-K89 HydrophobicContact CG-CD 4.29Å; Y60-K89 HydrophobicContact CG-CG 4.32Å
61M95.6Very high97.4Very high106 Ų10646.3 Ų46.352%0.52222%0.223SC..EExtended strand (participates in β ladder)trans-115.2160.9-174.7-65.5-65.9-81.200112.3R57 N59R57-M61 HydrophobicContact CB-CB 4.11Å; R57-M61 WeakPolarHBondContact CB-O 3.02Å; R57-M61 PolarHBondContact N-O 3.26Å; N59-M61 WeakPolarHBondContact O-CG 3.48Å; N59-M61 PolarHBondContact O-N 2.84Å
62G95.8Very high97.5Very high23 Ų2348 Ų4824%0.23723%0.23CC..EExtended strand (participates in β ladder)trans85-153.1177.500000112.1R57R57-G62 VanDerWaalsContact CZ-CA 3.49Å
63Y97.1Very high97.6Very high67 Ų6749.3 Ų49.326%0.26324%0.239SC..EExtended strand (participates in β ladder)trans-64.8139.5178.6-58-47.9000111.6Y55 E56 Y65 L81 R153Y55-Y63 CarbonylContact C-O 3.54Å; Y55-Y63 VanDerWaalsContact CA-O 3.3Å; Y55-Y63 WeakPolarHBondContact CA-O 3.41Å; E56-Y63 VanDerWaalsContact CD-CD2 3.43Å; E56-Y63 HydrophobicContact CG-CD2 4.42Å; E56-Y63 PolarHBondContact N-O 2.85Å; E56-Y63 VanDerWaalsContact OE2-CD2 3.26Å; E56-Y63 WeakPolarHBondContact OE2-CD2 3.38Å; Y63-Y65 WeakPolarHBondContact CB-OH 3.31Å; Y63-L81 HydrophobicContact CD1-CD1 4.19Å; Y63-L81 HydrophobicContact CD2-CB 4.47Å; Y63-L81 HydrophobicContact CD2-CD1 3.67Å; Y63-L81 HydrophobicContact CE1-CD1 3.96Å; Y63-L81 HydrophobicContact CE2-CB 4.45Å; Y63-L81 HydrophobicContact CE2-CD1 3.39Å; Y63-L81 HydrophobicContact CG-CD1 4.06Å; Y63-R153 HydrophobicContact CD1-CG 4.33Å; Y63-R153 HydrophobicContact CE1-CG 4.27Å; Y63-R153 VanDerWaalsContact CE1-NE 3.29Å; Y63-R153 PolarHBondContact OH-NH2 3.49Å
64Q97.9Very high97.6Very high17 Ų1752.2 Ų52.28%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-110.1142.6-179.2-42.6177.330.500108.9V53 V54 Y55 W168V53-Q64 HydrophobicContact CG1-CB 4.26Å; V54-Q64 CarbonylContact O-C 3.53Å; V54-Q64 WeakPolarHBondContact O-CA 3.5Å; Y55-Q64 HydrophobicContact CD1-CB 4.29Å; Y55-Q64 HydrophobicContact CD1-CG 3.78Å; Y55-Q64 HydrophobicContact CE1-CB 4.21Å; Y55-Q64 HydrophobicContact CE1-CG 3.65Å; Q64-W168 PolarHBondContact NE2-O 3.5Å
65Y98.4Very high97.5Very high5 Ų554.9 Ų54.92%0.0226%0.262CS..EExtended strand (participates in β ladder)trans-137.7127.6175.3-49.9-81.7000109.4V53 V54 Y63 W78 M79 L81 L85V53-Y65 WeakPolarHBondContact CA-O 3.32Å; V54-Y65 HydrophobicContact CG2-CD2 4.17Å; V54-Y65 HydrophobicContact CG2-CG 4.43Å; V54-Y65 PolarHBondContact N-O 2.85Å; V54-Y65 PolarHBondContact O-N 2.83Å; Y63-Y65 WeakPolarHBondContact CB-OH 3.31Å; Y65-W78 AromaticContact CD1-CD1 3.95Å; Y65-W78 WeakPolarHBondContact CD1-O 3.46Å; Y65-W78 AromaticContact CG-CD1 3.78Å; Y65-M79 VanDerWaalsContact CE1-O 3.26Å; Y65-M79 WeakPolarHBondContact CE1-O 3.32Å; Y65-L81 PolarHBondContact OH-N 2.8Å; Y65-L85 HydrophobicContact CD2-CD2 3.86Å; Y65-L85 HydrophobicContact CE2-CD2 4.04Å
66V98.1Very high97.4Very high13 Ų1358.4 Ų58.48%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-92.3133.2177.2-59.80000110.2W52 V53 V143 Q154 F156 F181W52-V66 WeakPolarHBondContact O-CA 3.48Å; V53-V66 HydrophobicContact CG2-CG1 4.34Å; V66-V143 HydrophobicContact CB-CG2 4.45Å; V66-V143 HydrophobicContact CG1-CG1 4.33Å; V66-V143 HydrophobicContact CG1-CG2 3.95Å; V66-V143 HydrophobicContact CG2-CG1 4.28Å; V66-V143 HydrophobicContact CG2-CG2 3.93Å; V66-Q154 VanDerWaalsContact CG2-OE1 3.28Å; V66-F156 HydrophobicContact CG1-CB 4.23Å; V66-F156 HydrophobicContact CG1-CD2 3.82Å; V66-F156 HydrophobicContact CG1-CG 4.37Å; V66-F181 HydrophobicContact CB-CD2 4.05Å; V66-F181 HydrophobicContact CB-CE1 4.5Å; V66-F181 HydrophobicContact CB-CE2 3.58Å; V66-F181 HydrophobicContact CB-CZ 3.82Å; V66-F181 HydrophobicContact CG1-CE2 4.5Å; V66-F181 HydrophobicContact CG2-CD2 4Å; V66-F181 HydrophobicContact CG2-CE2 3.76Å; V66-F181 HydrophobicContact CG2-CZ 4.49Å
67L98.1Very high97.5Very high0 Ų065.5 Ų65.50%031%0.305CS..EExtended strand (participates in β ladder)trans-130.1133.2-176.1-58.1173.1000109.3I13 I45 V47 A51 W52 V54 Y72 W78I13-L67 HydrophobicContact CD1-CD1 3.91Å; I45-L67 HydrophobicContact CD1-CD1 3.82Å; I45-L67 HydrophobicContact CG2-CD1 4.1Å; V47-L67 HydrophobicContact CG2-CB 3.95Å; V47-L67 HydrophobicContact CG2-CD1 4.37Å; A51-L67 CarbonylContact C-O 3.57Å; A51-L67 VanDerWaalsContact CA-O 3.29Å; A51-L67 WeakPolarHBondContact CA-O 3.35Å; W52-L67 HydrophobicContact CB-CB 4.44Å; W52-L67 PolarHBondContact N-O 2.81Å; W52-L67 PolarHBondContact O-N 3.5Å; V54-L67 HydrophobicContact CB-CD1 4.45Å; V54-L67 HydrophobicContact CG1-CD1 3.69Å; V54-L67 HydrophobicContact CG2-CD1 3.83Å; V54-L67 HydrophobicContact CG2-CG 4.37Å; L67-Y72 HydrophobicContact CB-CE2 4.4Å; L67-Y72 HydrophobicContact CD2-CD1 4.2Å; L67-Y72 HydrophobicContact CD2-CD2 4.33Å; L67-Y72 HydrophobicContact CD2-CE1 3.84Å; L67-Y72 HydrophobicContact CD2-CE2 3.99Å; L67-Y72 HydrophobicContact CD2-CG 4.43Å; L67-W78 HydrophobicContact CD2-CB 3.36Å; L67-W78 HydrophobicContact CD2-CG 4.18Å
68T96.9Very high97.5Very high38 Ų3860 Ų6023%0.23329%0.285CS..  trans-106.4177.3168.7550000109.1V47 A51 G70 Y72 F181 T182V47-T68 VanDerWaalsContact CB-O 3.31Å; V47-T68 WeakPolarHBondContact CB-O 3.36Å; A51-T68 HydrophobicContact CB-CG2 4.42Å; T68-G70 PolarHBondContact O-N 2.77Å; T68-Y72 PolarHBondContact N-OH 2.97Å; T68-Y72 PolarHBondContact O-OH 3.01Å; T68-F181 HydrophobicContact CG2-CE2 3.68Å; T68-F181 HydrophobicContact CG2-CZ 3.84Å; T68-T182 WeakPolarHBondContact CG2-O 3.46Å
69R96.9Very high97.5Very high179 Ų17961.3 Ų61.368%0.67529%0.288SS*.SBendtrans-51.1127.4175.2-177.2178.8176.3162.21.4111E48 G50E48-R69 PolarHBondContact O-NE 3.29Å; G50-R69 PolarHBondContact O-N 3.23Å
70G97.8Very high97.5Very high27 Ų2756.8 Ų56.828%0.27827%0.266SS..EExtended strand (participates in β ladder)trans160.6178.1-178.300000114.2V47 T68V47-G70 PolarHBondContact N-O 2.9Å; V47-G70 PolarHBondContact O-N 3.06Å; T68-G70 PolarHBondContact O-N 2.77Å
71E98.6Very high97.4Very high119 Ų11958.4 Ų58.456%0.55628%0.279SS*.EExtended strand (participates in β ladder)trans-110.2127.2177.2-67.7-158.3136.700110.2F21 R46 P73F21-E71 HydrophobicContact CE1-CB 4.5Å; F21-E71 HydrophobicContact CE2-CB 4.44Å; F21-E71 HydrophobicContact CZ-CB 3.78Å; F21-E71 HydrophobicContact CZ-CG 4.35Å; R46-E71 HydrophobicContact CG-CG 4.28Å; R46-E71 IonicContact CZ-OE1 3.23Å; R46-E71 IonicContact NE-OE1 2.66Å; R46-E71 PolarHBondContact NE-OE1 2.84Å; R46-E71 IonicContact NH2-OE1 3.72Å; R46-E71 PolarHBondContact NH2-OE1 2.88Å; R46-E71 VanDerWaalsContact NH2-OE1 3.16Å; E71-P73 WeakPolarHBondContact O-CD 3.32Å
72Y98.7Very high97.3Very high35 Ų3555.2 Ų55.214%0.13726%0.264CS..EExtended strand (participates in β ladder)trans-121.288.3179.9-56.5-96000109.4S44 I45 V47 L67 T68 E74 R77 W78S44-Y72 CarbonylContact C-O 3.37Å; S44-Y72 VanDerWaalsContact CA-O 3.27Å; S44-Y72 WeakPolarHBondContact CA-O 3.35Å; S44-Y72 VanDerWaalsContact CB-O 3.29Å; S44-Y72 WeakPolarHBondContact CB-O 3.22Å; I45-Y72 PolarHBondContact N-O 3.03Å; I45-Y72 WeakPolarHBondContact O-CA 3.46Å; I45-Y72 WeakPolarHBondContact O-CB 3.49Å; I45-Y72 PolarHBondContact O-N 2.93Å; V47-Y72 HydrophobicContact CG2-CE2 4.05Å; L67-Y72 HydrophobicContact CB-CE2 4.4Å; L67-Y72 HydrophobicContact CD2-CD1 4.2Å; L67-Y72 HydrophobicContact CD2-CD2 4.33Å; L67-Y72 HydrophobicContact CD2-CE1 3.84Å; L67-Y72 HydrophobicContact CD2-CE2 3.99Å; L67-Y72 HydrophobicContact CD2-CG 4.43Å; T68-Y72 PolarHBondContact N-OH 2.97Å; T68-Y72 PolarHBondContact O-OH 3.01Å; Y72-E74 PolarHBondContact O-N 3.15Å; Y72-R77 HydrophobicContact CD1-CB 4Å; Y72-W78 HydrophobicContact CD1-CB 4.17Å; Y72-W78 HydrophobicContact CD1-CE3 4.39Å; Y72-W78 HydrophobicContact CE1-CB 4.47Å; Y72-W78 HydrophobicContact CG-CE3 4.16Å
73P98.5Very high97.4Very high29 Ų2956.2 Ų56.219%0.18826%0.264CS..SBendtrans-69.3-15-171.724.7-36.2000115.1N20 F21 S44 E71 R77N20-P73 PolarHBondContact N-O 3.18Å; N20-P73 WeakPolarHBondContact OD1-CB 3.31Å; F21-P73 HydrophobicContact CE2-CB 4.3Å; F21-P73 HydrophobicContact CZ-CB 3.93Å; S44-P73 VanDerWaalsContact CB-O 3.29Å; S44-P73 WeakPolarHBondContact CB-O 3.26Å; E71-P73 WeakPolarHBondContact O-CD 3.32Å; P73-R77 HydrophobicContact CG-CG 4.14Å
74E98.2Very high97.3Very high62 Ų6260.6 Ų60.629%0.2928%0.28SS..SBendtrans-148.5152.4-178.8-58.6-173.4-104.300110.1K19 N43 Y72 Q76 R77 W78K19-E74 HydrophobicContact CB-CG 4.42Å; K19-E74 HydrophobicContact CD-CG 4.03Å; K19-E74 WeakPolarHBondContact CD-OE2 3.32Å; K19-E74 WeakPolarHBondContact CE-OE2 3.19Å; K19-E74 HydrophobicContact CG-CG 4.22Å; K19-E74 IonicContact NZ-OE2 3.31Å; K19-E74 PolarHBondContact NZ-OE2 2.87Å; N43-E74 CarbonylContact O-C 3.56Å; N43-E74 WeakPolarHBondContact O-CA 3.16Å; Y72-E74 PolarHBondContact O-N 3.15Å; E74-Q76 PolarHBondContact O-N 2.93Å; E74-Q76 VanDerWaalsContact O-N 3.14Å; E74-R77 HydrophobicContact CB-CG 4.44Å; E74-R77 WeakPolarHBondContact O-CB 3.36Å; E74-R77 WeakPolarHBondContact O-CG 3.21Å; E74-R77 PolarHBondContact O-N 2.94Å; E74-W78 WeakPolarHBondContact O-CZ3 3.46Å
75Y97.3Very high97.3Very high55 Ų5560 Ų6022%0.21628%0.277CS..G310 helixtrans-62.5-25.4-176.267.4-101.3000114.8N43 R77 W78 G80 D83N43-Y75 PolarHBondContact O-N 2.86Å; N43-Y75 WeakPolarHBondContact OD1-CD1 3.32Å; Y75-R77 PolarHBondContact O-N 2.94Å; Y75-W78 VanDerWaalsContact CA-CE2 3.41Å; Y75-W78 PolarHBondContact O-N 2.81Å; Y75-G80 WeakPolarHBondContact CD2-O 3.24Å; Y75-G80 WeakPolarHBondContact O-CA 3.28Å; Y75-G80 PolarHBondContact O-N 2.74Å; Y75-D83 HydrophobicContact CD1-CB 4.16Å
76Q97.3Very high97.3Very high93 Ų9360.6 Ų60.644%0.43528%0.282SS..G310 helixtrans-61.8-26.1172.8-66.182.1-600112.2E74 W78 M79E74-Q76 PolarHBondContact O-N 2.93Å; E74-Q76 VanDerWaalsContact O-N 3.14Å; Q76-W78 VanDerWaalsContact C-N 3.26Å; Q76-W78 PolarHBondContact O-N 3.05Å; Q76-M79 PolarHBondContact O-N 2.86Å
77R97.9Very high97.3Very high171 Ų17160 Ų6065%0.64528%0.279SS*.G310 helixtrans-69.8-21.8-178.7-62.8-61.6-152.6177.47.3113.2Y72 P73 E74 Y75Y72-R77 HydrophobicContact CD1-CB 4Å; P73-R77 HydrophobicContact CG-CG 4.14Å; E74-R77 HydrophobicContact CB-CG 4.44Å; E74-R77 WeakPolarHBondContact O-CB 3.36Å; E74-R77 WeakPolarHBondContact O-CG 3.21Å; E74-R77 PolarHBondContact O-N 2.94Å; Y75-R77 PolarHBondContact O-N 2.94Å
78W97.3Very high97.3Very high6 Ų660 Ų602%0.02328%0.279CS..G310 helixtrans-105.116.4169.26283000113.4I45 Y65 L67 Y72 E74 Y75 Q76 G80 L85 Q154I45-W78 HydrophobicContact CB-CE3 4.43Å; I45-W78 HydrophobicContact CB-CZ3 4.01Å; I45-W78 HydrophobicContact CD1-CD2 4.11Å; I45-W78 HydrophobicContact CD1-CE3 3.97Å; I45-W78 HydrophobicContact CD1-CH2 3.8Å; I45-W78 HydrophobicContact CD1-CZ2 3.91Å; I45-W78 HydrophobicContact CD1-CZ3 3.84Å; I45-W78 HydrophobicContact CG1-CE3 4.27Å; I45-W78 HydrophobicContact CG1-CH2 3.74Å; I45-W78 HydrophobicContact CG1-CZ2 4.33Å; I45-W78 HydrophobicContact CG1-CZ3 3.71Å; Y65-W78 AromaticContact CD1-CD1 3.95Å; Y65-W78 WeakPolarHBondContact CD1-O 3.46Å; Y65-W78 AromaticContact CG-CD1 3.78Å; L67-W78 HydrophobicContact CD2-CB 3.36Å; L67-W78 HydrophobicContact CD2-CG 4.18Å; Y72-W78 HydrophobicContact CD1-CB 4.17Å; Y72-W78 HydrophobicContact CD1-CE3 4.39Å; Y72-W78 HydrophobicContact CE1-CB 4.47Å; Y72-W78 HydrophobicContact CG-CE3 4.16Å; E74-W78 WeakPolarHBondContact O-CZ3 3.46Å; Y75-W78 VanDerWaalsContact CA-CE2 3.41Å; Y75-W78 PolarHBondContact O-N 2.81Å; Q76-W78 VanDerWaalsContact C-N 3.26Å; Q76-W78 PolarHBondContact O-N 3.05Å; W78-G80 PolarHBondContact O-N 3.42Å; W78-L85 HydrophobicContact CZ2-CD1 4.2Å; W78-Q154 PolarHBondContact O-NE2 2.84Å
79M97.2Very high97.4Very high71 Ų7161.5 Ų61.535%0.3528%0.282SS..THydrogen-bonded Turntrans61.626.6-174.5-54.9176.9-89.300113.5Y65 Q76 Y145Y65-M79 VanDerWaalsContact CE1-O 3.26Å; Y65-M79 WeakPolarHBondContact CE1-O 3.32Å; Q76-M79 PolarHBondContact O-N 2.86Å; M79-Y145 HydrophobicContact CE-CE1 4.02Å
80G96.5Very high97.4Very high10 Ų1053.8 Ų53.810%0.10325%0.254CS..  trans-56.5135.5173.400000111.7Y75 W78Y75-G80 WeakPolarHBondContact CD2-O 3.24Å; Y75-G80 WeakPolarHBondContact O-CA 3.28Å; Y75-G80 PolarHBondContact O-N 2.74Å; W78-G80 PolarHBondContact O-N 3.42Å
81L94.7Very high97.3Very high100 Ų10052.9 Ų52.952%0.52424%0.243SC..SBendtrans-80.3-29.4173.9-71.8173.3000111.6Y63 Y65Y63-L81 HydrophobicContact CD1-CD1 4.19Å; Y63-L81 HydrophobicContact CD2-CB 4.47Å; Y63-L81 HydrophobicContact CD2-CD1 3.67Å; Y63-L81 HydrophobicContact CE1-CD1 3.96Å; Y63-L81 HydrophobicContact CE2-CB 4.45Å; Y63-L81 HydrophobicContact CE2-CD1 3.39Å; Y63-L81 HydrophobicContact CG-CD1 4.06Å; Y65-L81 PolarHBondContact OH-N 2.8Å
82N95Very high96.9Very high39 Ų3952.1 Ų52.121%0.20924%0.239CC..SBendtrans-150.6-176.5178.559.748.3000108.7E56 R84E56-N82 PolarHBondContact OE1-ND2 2.9Å; N82-R84 VanDerWaalsContact C-N 3.35Å; N82-R84 WeakPolarHBondContact OD1-CA 3.45Å; N82-R84 WeakPolarHBondContact OD1-CB 3.25Å; N82-R84 PolarHBondContact OD1-N 2.94Å
83D96.2Very high96.5Very high45 Ų4552.9 Ų52.924%0.24124%0.243CC..SBendtrans-93.718.917965.1-18.8000113.3R41 C42 N43 Y75R41-D83 CarbonylContact C-O 3.57Å; R41-D83 WeakPolarHBondContact CA-O 3.43Å; C42-D83 PolarHBondContact N-O 3.38Å; C42-D83 WeakPolarHBondContact O-CA 3.35Å; C42-D83 WeakPolarHBondContact O-CB 3.43Å; N43-D83 PolarHBondContact ND2-OD2 3.39Å; N43-D83 VanDerWaalsContact ND2-OD2 3.12Å; N43-D83 WeakPolarHBondContact OD1-CB 3.14Å; Y75-D83 HydrophobicContact CD1-CB 4.16Å
84R96.8Very high96Very high159 Ų15956 Ų5660%0.626%0.262SS*.  trans-94.1121.2178-59.1180177.9162.3-1.7110.1E56 N82E56-R84 WeakPolarHBondContact CA-O 3.39Å; E56-R84 HydrophobicContact CG-CB 4.11Å; N82-R84 VanDerWaalsContact C-N 3.35Å; N82-R84 WeakPolarHBondContact OD1-CA 3.45Å; N82-R84 WeakPolarHBondContact OD1-CB 3.25Å; N82-R84 PolarHBondContact OD1-N 2.94Å
85L97.9Very high95.3Very high4 Ų458.9 Ų58.92%0.02129%0.289CS..  trans-141142.3166.6-66.3175.6000107.3F15 F35 C42 I45 V54 Y55 Y65 W78F15-L85 HydrophobicContact CD1-CD1 4.4Å; F15-L85 HydrophobicContact CE1-CD1 4.32Å; F35-L85 VanDerWaalsContact CE2-C 3.5Å; F35-L85 HydrophobicContact CE2-CB 4.17Å; F35-L85 WeakPolarHBondContact CE2-O 3.47Å; F35-L85 HydrophobicContact CZ-CB 3.9Å; C42-L85 HydrophobicContact CB-CB 4.27Å; C42-L85 HydrophobicContact CB-CD1 4.16Å; C42-L85 HydrophobicContact CB-CG 4.45Å; I45-L85 HydrophobicContact CD1-CD1 3.7Å; V54-L85 HydrophobicContact CB-CD1 4.24Å; V54-L85 HydrophobicContact CB-CD2 4.19Å; V54-L85 HydrophobicContact CG2-CD1 3.88Å; V54-L85 HydrophobicContact CG2-CD2 3.86Å; Y55-L85 WeakPolarHBondContact O-CA 3.28Å; Y65-L85 HydrophobicContact CD2-CD2 3.86Å; Y65-L85 HydrophobicContact CE2-CD2 4.04Å; W78-L85 HydrophobicContact CZ2-CD1 4.2Å
86S97.5Very high94.7Very high18 Ų1860 Ų6013%0.12632%0.317CS..  trans-139.7-13.9-178.7-41.50000114.2D34 F35 Y55 E56D34-S86 CarbonylContact C-O 3.54Å; D34-S86 VanDerWaalsContact CA-O 3.22Å; D34-S86 WeakPolarHBondContact CA-O 3.32Å; F35-S86 WeakPolarHBondContact CD1-O 3.29Å; F35-S86 PolarHBondContact N-O 2.98Å; Y55-S86 PolarHBondContact O-N 2.88Å; E56-S86 PolarHBondContact O-N 3.38Å; E56-S86 PolarHBondContact O-OG 2.91Å
87S98.4Very high94.3Very high0 Ų056.8 Ų56.80%030%0.304CS..EExtended strand (participates in β ladder)trans-145.4157.5176.360.70000112C32 S33 F35 Y55 R57 Y60C32-S87 CarbonylContact O-C 3.09Å; C32-S87 VanDerWaalsContact O-CA 3.22Å; C32-S87 WeakPolarHBondContact O-CA 3.17Å; C32-S87 WeakPolarHBondContact O-CB 3.37Å; S33-S87 VanDerWaalsContact O-CB 3.31Å; S33-S87 WeakPolarHBondContact O-CB 3.16Å; F35-S87 VanDerWaalsContact CE1-C 3.5Å; F35-S87 VanDerWaalsContact CE1-CA 3.44Å; F35-S87 VanDerWaalsContact CE1-N 3.31Å; Y55-S87 WeakPolarHBondContact CB-OG 3.33Å; Y55-S87 PolarHBondContact N-O 3.42Å; Y55-S87 PolarHBondContact O-N 2.92Å; R57-S87 PolarHBondContact O-OG 2.83Å; Y60-S87 WeakPolarHBondContact CA-OG 3.46Å; Y60-S87 PolarHBondContact N-OG 3.2Å
88C98.4Very high94Very high0 Ų054.7 Ų54.70%031%0.305CS..EExtended strand (participates in β ladder)trans-149.2152.6179.763.50000112.3F15 C32 F35 W52 V53 V54 Y60F15-C88 HydrophobicContact CZ-CB 3.96Å; C32-C88 PolarHBondContact N-O 3.3Å; C32-C88 PolarHBondContact O-N 3.22Å; F35-C88 HydrophobicContact CE1-CB 4.24Å; W52-C88 HydrophobicContact CE3-CB 4.25Å; V53-C88 CarbonylContact O-C 3.56Å; V53-C88 VanDerWaalsContact O-CA 3.23Å; V53-C88 WeakPolarHBondContact O-CA 3.21Å; V54-C88 HydrophobicContact CB-CB 4.48Å; V54-C88 HydrophobicContact CG1-CB 3.9Å; Y60-C88 WeakPolarHBondContact CE1-O 3.36Å
89K97.9Very high94Very high69 Ų6956.6 Ų56.630%0.331%0.312SS..EExtended strand (participates in β ladder)trans-126.8142.9171.9-71-170.8166.1-174.30111.1D31 W52 V53 Y55 Y60D31-K89 WeakPolarHBondContact OD1-CA 3.45Å; W52-K89 CarbonylContact C-O 3.55Å; W52-K89 VanDerWaalsContact CA-O 3.28Å; W52-K89 WeakPolarHBondContact CA-O 3.36Å; V53-K89 PolarHBondContact N-O 2.93Å; V53-K89 PolarHBondContact O-N 2.88Å; Y55-K89 HydrophobicContact CE2-CG 4.3Å; Y60-K89 HydrophobicContact CD1-CD 4.08Å; Y60-K89 HydrophobicContact CD1-CG 3.62Å; Y60-K89 VanDerWaalsContact CD2-CE 3.48Å; Y60-K89 HydrophobicContact CE1-CD 4.18Å; Y60-K89 HydrophobicContact CE1-CG 3.47Å; Y60-K89 VanDerWaalsContact CE1-CG 3.47Å; Y60-K89 VanDerWaalsContact CE2-CE 3.47Å; Y60-K89 HydrophobicContact CG-CD 4.29Å; Y60-K89 HydrophobicContact CG-CG 4.32Å
90I96.4Very high94Very high17 Ų1756.6 Ų56.69%0.08731%0.31CS..EExtended strand (participates in β ladder)trans-78.9141.5168.5-166.6171000109.6M10 D31 W52 H92M10-I90 HydrophobicContact CB-CD1 4.18Å; D31-I90 WeakPolarHBondContact OD1-CG2 3.42Å; D31-I90 PolarHBondContact OD1-N 3.01Å; W52-I90 HydrophobicContact CE3-CB 4.26Å; W52-I90 HydrophobicContact CH2-CB 4.19Å; W52-I90 HydrophobicContact CZ2-CB 4.44Å; W52-I90 HydrophobicContact CZ2-CD1 4.28Å; W52-I90 HydrophobicContact CZ2-CG1 4.32Å; W52-I90 HydrophobicContact CZ3-CB 4.09Å; I90-H92 WeakPolarHBondContact CG2-CE1 3.4Å; I90-H92 VanDerWaalsContact CG2-NE2 3.28Å; I90-H92 WeakPolarHBondContact CG2-NE2 3.15Å
91V95.6Very high94.1Very high8 Ų856.1 Ų56.15%0.04831%0.305CS..EExtended strand (participates in β ladder)trans-98.8121.3174.3-178.90000108.9A51 V53 F93 W141 F156 F181A51-V91 HydrophobicContact CB-CB 4.17Å; A51-V91 PolarHBondContact O-N 3.3Å; V53-V91 HydrophobicContact CG2-CG2 3.72Å; V91-F93 HydrophobicContact CG1-CD1 4.25Å; V91-F93 HydrophobicContact CG1-CE1 3.83Å; V91-F93 HydrophobicContact CG1-CE2 4.26Å; V91-F93 HydrophobicContact CG1-CZ 3.86Å; V91-F93 PolarHBondContact O-N 3.31Å; V91-W141 HydrophobicContact CG1-CD2 4.49Å; V91-W141 HydrophobicContact CG1-CG 4.24Å; V91-F156 HydrophobicContact CB-CZ 4.44Å; V91-F156 HydrophobicContact CG1-CZ 3.89Å; V91-F156 HydrophobicContact CG2-CE1 4.23Å; V91-F156 HydrophobicContact CG2-CE2 4.25Å; V91-F156 HydrophobicContact CG2-CZ 3.66Å; V91-F181 HydrophobicContact CB-CE1 4.21Å; V91-F181 HydrophobicContact CG1-CD1 4.23Å; V91-F181 HydrophobicContact CG1-CE1 4.18Å; V91-F181 HydrophobicContact CG2-CE1 3.94Å
92H91.5Very high94.3Very high103 Ų10353.7 Ų53.748%0.47729%0.291SS..  trans-9888.9-178.6-67.6-56.2000111.4I90 W141I90-H92 WeakPolarHBondContact CG2-CE1 3.4Å; I90-H92 VanDerWaalsContact CG2-NE2 3.28Å; I90-H92 WeakPolarHBondContact CG2-NE2 3.15Å; H92-W141 WeakPolarHBondContact O-CH2 3.22Å; H92-W141 WeakPolarHBondContact O-CZ2 3.16Å
93F89.7Confident94.5Very high52 Ų5251.9 Ų51.923%0.22828%0.281CS..  trans-65.4141.4174.2-64-63.1000112.1A51 V91 W141 F181 E183A51-F93 HydrophobicContact CB-CD2 4.44Å; A51-F93 HydrophobicContact CB-CE2 3.44Å; A51-F93 VanDerWaalsContact CB-CE2 3.44Å; A51-F93 HydrophobicContact CB-CZ 3.98Å; V91-F93 HydrophobicContact CG1-CD1 4.25Å; V91-F93 HydrophobicContact CG1-CE1 3.83Å; V91-F93 HydrophobicContact CG1-CE2 4.26Å; V91-F93 HydrophobicContact CG1-CZ 3.86Å; V91-F93 PolarHBondContact O-N 3.31Å; F93-W141 HydrophobicContact CB-CZ3 4.46Å; F93-W141 AromaticContact CD1-CD2 3.88Å; F93-W141 HydrophobicContact CD1-CD2 3.88Å; F93-W141 AromaticContact CD1-CE3 3.44Å; F93-W141 HydrophobicContact CD1-CE3 3.44Å; F93-W141 VanDerWaalsContact CD1-CE3 3.44Å; F93-W141 HydrophobicContact CD1-CH2 4.38Å; F93-W141 AromaticContact CD1-CZ3 3.72Å; F93-W141 HydrophobicContact CD1-CZ3 3.72Å; F93-W141 HydrophobicContact CE1-CB 4.35Å; F93-W141 HydrophobicContact CE1-CD2 4.01Å; F93-W141 AromaticContact CE1-CE3 3.85Å; F93-W141 HydrophobicContact CE1-CE3 3.85Å; F93-W141 HydrophobicContact CE1-CG 4.24Å; F93-F181 AromaticContact CE1-CD1 3.97Å; F93-F181 HydrophobicContact CE1-CD1 3.97Å; F93-F181 WeakPolarHBondContact CE1-O 3.33Å; F93-F181 HydrophobicContact CE2-CE1 4.46Å; F93-F181 AromaticContact CZ-CD1 3.52Å; F93-F181 HydrophobicContact CZ-CD1 3.52Å; F93-F181 AromaticContact CZ-CE1 3.69Å; F93-F181 HydrophobicContact CZ-CE1 3.69Å; F93-F181 HydrophobicContact CZ-CG 4.3Å; F93-E183 HydrophobicContact CD2-CB 3.82Å; F93-E183 HydrophobicContact CE2-CB 3.68Å
94T87.5Confident94.6Very high93 Ų9350.8 Ų50.857%0.57127%0.274SS*.  trans-110.9137.1174.8-55.80000109T97T94-T97 PolarHBondContact O-OG1 2.83Å
95S84Confident94.6Very high123 Ų12347.3 Ų47.386%0.8627%0.265SS*.THydrogen-bonded Turntrans-68.3144177.7-55.30000111.2T97S95-T97 PolarHBondContact O-N 2.88Å
96G84.6Confident94.7Very high78 Ų7853.1 Ų53.180%0.80429%0.29SS*.THydrogen-bonded Turntrans74.610.4179.200000114.7L98G96-L98 PolarHBondContact O-N 2.87Å
97T88.7Confident94.7Very high27 Ų2754.5 Ų54.517%0.16630%0.302CS..  trans-58.7129.8175-70.20000111.5T94 S95 Y99 W141T94-T97 PolarHBondContact O-OG1 2.83Å; S95-T97 PolarHBondContact O-N 2.88Å; T97-Y99 HydrophobicContact CG2-CE2 4.33Å; T97-W141 HydrophobicContact CG2-CE3 4.35Å; T97-W141 HydrophobicContact CG2-CZ3 3.81Å
98L92.6Very high94.7Very high126 Ų12659.2 Ų59.266%0.6633%0.327SS*.  trans-84.5142.5169.2-62174.3000108.2G96 D139 G140G96-L98 PolarHBondContact O-N 2.87Å; L98-D139 HydrophobicContact CB-CB 4.49Å; L98-D139 PolarHBondContact N-OD2 3.29Å; L98-D139 CarbonylContact O-C 3.59Å; L98-D139 WeakPolarHBondContact O-CB 3.28Å; L98-G140 PolarHBondContact O-N 2.81Å
99Y96.9Very high94.7Very high47 Ų4760.8 Ų60.818%0.18434%0.335CS..  trans-98.6109173-75.7-94.7000108.4T97 T117 W141 W142 R180 F181 T182T97-Y99 HydrophobicContact CG2-CE2 4.33Å; Y99-T117 WeakPolarHBondContact O-CA 3.37Å; Y99-W141 VanDerWaalsContact CE1-O 3.29Å; Y99-W141 WeakPolarHBondContact CE1-O 3.4Å; Y99-W142 HydrophobicContact CD1-CZ2 4.4Å; Y99-R180 HydrophobicContact CD1-CB 3.53Å; Y99-R180 HydrophobicContact CD1-CG 3.39Å; Y99-R180 HydrophobicContact CE1-CB 3.69Å; Y99-R180 HydrophobicContact CE1-CG 4.11Å; Y99-R180 HydrophobicContact CG-CB 4.14Å; Y99-R180 HydrophobicContact CG-CG 3.68Å; Y99-F181 PolarHBondContact OH-O 3Å; Y99-T182 HydrophobicContact CE1-CG2 4.47Å; Y99-T182 HydrophobicContact CE2-CG2 4.34Å
100K98.3Very high94.7Very high71 Ų7158.8 Ų58.831%0.30933%0.333SS..EExtended strand (participates in β ladder)trans-148.2125.3178.2-172.9177.4169.3132.10111.2E115 T117 F138 D139K100-E115 WeakPolarHBondContact CE-OE1 3.45Å; K100-E115 WeakPolarHBondContact CE-OE2 3.31Å; K100-E115 HydrophobicContact CG-CG 4.43Å; K100-E115 IonicContact NZ-OE1 3.49Å; K100-E115 PolarHBondContact NZ-OE1 3.41Å; K100-E115 IonicContact NZ-OE2 2.71Å; K100-E115 PolarHBondContact NZ-OE2 3.35Å; K100-T117 HydrophobicContact CG-CG2 4.32Å; K100-F138 HydrophobicContact CB-CB 4.41Å; K100-F138 HydrophobicContact CD-CD2 4.29Å; K100-F138 HydrophobicContact CG-CB 4.48Å; K100-F138 HydrophobicContact CG-CD2 3.98Å; K100-F138 PolarHBondContact O-N 2.86Å; K100-D139 PolarHBondContact N-O 3.45Å; K100-D139 VanDerWaalsContact N-O 3.14Å; K100-D139 PolarHBondContact O-N 3.36Å
101M98.6Very high94.8Very high0 Ų060.3 Ų60.30%035%0.353CS..EExtended strand (participates in β ladder)trans-135.4162.3167.571.4177.3163.100111.5L103 A116 K136 V137 W142 F144 F178M101-L103 HydrophobicContact CE-CD2 4.2Å; M101-L103 HydrophobicContact CG-CD2 4.31Å; M101-L103 HydrophobicContact SD-CD2 3.77Å; M101-A116 HydrophobicContact CE-CB 3.89Å; M101-A116 HydrophobicContact CG-CB 3.91Å; M101-A116 PolarHBondContact N-O 2.87Å; M101-A116 PolarHBondContact O-N 2.81Å; M101-K136 CarbonylContact C-O 3.48Å; M101-K136 WeakPolarHBondContact CA-O 3.25Å; M101-K136 WeakPolarHBondContact CB-O 3.34Å; M101-V137 HydrophobicContact CB-CG2 4.24Å; M101-W142 HydrophobicContact CE-CD2 3.72Å; M101-W142 HydrophobicContact CE-CE3 3.3Å; M101-W142 HydrophobicContact CE-CG 4.38Å; M101-W142 HydrophobicContact CE-CH2 4.12Å; M101-W142 HydrophobicContact CE-CZ2 4.48Å; M101-W142 HydrophobicContact CE-CZ3 3.54Å; M101-W142 HydrophobicContact CG-CD2 4.24Å; M101-W142 HydrophobicContact CG-CH2 4.47Å; M101-W142 HydrophobicContact CG-CZ2 4.12Å; M101-W142 HydrophobicContact SD-CB 4.34Å; M101-W142 HydrophobicContact SD-CD2 3.77Å; M101-W142 HydrophobicContact SD-CE3 4.01Å; M101-W142 HydrophobicContact SD-CG 3.94Å; M101-F144 HydrophobicContact CE-CE1 3.87Å; M101-F144 HydrophobicContact SD-CE1 3.71Å; M101-F144 HydrophobicContact SD-CZ 4.14Å; M101-F178 HydrophobicContact CE-CB 4.15Å; M101-F178 HydrophobicContact CE-CD1 3.96Å; M101-F178 HydrophobicContact CE-CD2 3.11Å; M101-F178 HydrophobicContact CE-CE1 4.11Å; M101-F178 HydrophobicContact CE-CE2 3.27Å; M101-F178 HydrophobicContact CE-CG 3.48Å; M101-F178 VanDerWaalsContact CE-CG 3.48Å; M101-F178 HydrophobicContact CE-CZ 3.77Å
102Q98.7Very high94.9Very high49 Ų4965.2 Ų65.223%0.22938%0.376CS..EExtended strand (participates in β ladder)trans-125.3128.8170.8-178.4168.546.400109.3Y104 A113 V114 C135 K136 F138Q102-Y104 HydrophobicContact CB-CE2 4.21Å; Q102-Y104 HydrophobicContact CG-CD2 4.46Å; Q102-Y104 HydrophobicContact CG-CE1 4.36Å; Q102-Y104 HydrophobicContact CG-CE2 3.78Å; Q102-Y104 PolarHBondContact OE1-OH 3.11Å; Q102-A113 HydrophobicContact CG-CB 4.18Å; Q102-V114 CarbonylContact C-O 3.46Å; Q102-V114 WeakPolarHBondContact CA-O 3.47Å; Q102-C135 CarbonylContact O-C 3.56Å; Q102-C135 WeakPolarHBondContact O-CA 3.35Å; Q102-C135 WeakPolarHBondContact O-CB 3.43Å; Q102-K136 PolarHBondContact N-O 2.7Å; Q102-K136 PolarHBondContact O-N 3.05Å; Q102-F138 HydrophobicContact CB-CE2 3.68Å; Q102-F138 HydrophobicContact CB-CZ 4.32Å
103L98.8Very high95.2Very high0 Ų062.3 Ų62.30%037%0.369CS..EExtended strand (participates in β ladder)trans-102.5148.8178.8-50.1176.5000109.2M101 A113 V114 W129 V132 C135 F144 F178M101-L103 HydrophobicContact CE-CD2 4.2Å; M101-L103 HydrophobicContact CG-CD2 4.31Å; M101-L103 HydrophobicContact SD-CD2 3.77Å; L103-A113 CarbonylContact O-C 3.58Å; L103-A113 VanDerWaalsContact O-CA 3.26Å; L103-A113 WeakPolarHBondContact O-CA 3.3Å; L103-V114 HydrophobicContact CB-CG2 3.82Å; L103-V114 HydrophobicContact CD1-CG2 4.19Å; L103-V114 HydrophobicContact CG-CG2 4.33Å; L103-V114 PolarHBondContact N-O 3.46Å; L103-V114 PolarHBondContact O-N 3.25Å; L103-W129 HydrophobicContact CB-CZ3 4.01Å; L103-V132 HydrophobicContact CB-CG1 4.28Å; L103-V132 HydrophobicContact CD1-CG2 4.26Å; L103-V132 HydrophobicContact CD2-CG1 4.11Å; L103-C135 HydrophobicContact CD2-CB 3.73Å; L103-F144 HydrophobicContact CD2-CE1 3.89Å; L103-F144 HydrophobicContact CD2-CE2 4.48Å; L103-F144 HydrophobicContact CD2-CZ 3.42Å; L103-F144 VanDerWaalsContact CD2-CZ 3.42Å; L103-F178 HydrophobicContact CD1-CD1 4.04Å; L103-F178 HydrophobicContact CD1-CE1 3.45Å; L103-F178 VanDerWaalsContact CD1-CE1 3.45Å; L103-F178 HydrophobicContact CD1-CZ 4.06Å
104Y98.7Very high95.6Very high22 Ų2260.8 Ų60.89%0.08636%0.364CS..EExtended strand (participates in β ladder)trans-131142.3-179.2-61-97.5000111.4Q102 K106 F109 Q112 A113 N133 S134 K136Q102-Y104 HydrophobicContact CB-CE2 4.21Å; Q102-Y104 HydrophobicContact CG-CD2 4.46Å; Q102-Y104 HydrophobicContact CG-CE1 4.36Å; Q102-Y104 HydrophobicContact CG-CE2 3.78Å; Q102-Y104 PolarHBondContact OE1-OH 3.11Å; Y104-K106 VanDerWaalsContact C-N 3.33Å; Y104-K106 PolarHBondContact O-N 2.87Å; Y104-F109 VanDerWaalsContact CD1-C 3.42Å; Y104-F109 HydrophobicContact CD1-CB 3.99Å; Y104-F109 WeakPolarHBondContact CD1-O 3.31Å; Y104-F109 HydrophobicContact CD2-CB 4.19Å; Y104-F109 AromaticContact CD2-CD1 3.79Å; Y104-F109 HydrophobicContact CD2-CD1 3.79Å; Y104-F109 HydrophobicContact CD2-CG 4.48Å; Y104-F109 HydrophobicContact CE1-CB 3.75Å; Y104-F109 WeakPolarHBondContact CE1-O 3.38Å; Y104-F109 HydrophobicContact CE2-CB 3.97Å; Y104-F109 AromaticContact CE2-CD1 3.64Å; Y104-F109 HydrophobicContact CE2-CD1 3.64Å; Y104-F109 HydrophobicContact CE2-CG 4.17Å; Y104-F109 HydrophobicContact CG-CB 4.19Å; Y104-F109 HydrophobicContact CG-CD1 4.49Å; Y104-Q112 WeakPolarHBondContact CA-O 3.33Å; Y104-A113 HydrophobicContact CD1-CB 3.63Å; Y104-A113 HydrophobicContact CE1-CB 3.66Å; Y104-A113 HydrophobicContact CG-CB 4.43Å; Y104-N133 PolarHBondContact O-N 3.18Å; Y104-N133 VanDerWaalsContact O-N 3.13Å; Y104-S134 VanDerWaalsContact CB-OG 3.32Å; Y104-S134 WeakPolarHBondContact CB-OG 3.29Å; Y104-S134 PolarHBondContact N-O 2.96Å; Y104-S134 PolarHBondContact O-N 3.46Å; Y104-K136 HydrophobicContact CE2-CD 4.41Å; Y104-K136 HydrophobicContact CE2-CG 4.04Å
105E97Very high96.1Very high86 Ų8661.1 Ų61.140%0.40236%0.36SS..SBendtrans-67.5-31.7179.6-173.2-171.5-167.500112.3Q112 W129 N133E105-Q112 HydrophobicContact CB-CB 4.29Å; E105-Q112 PolarHBondContact N-O 3.07Å; E105-Q112 PolarHBondContact OE2-N 3.43Å; E105-W129 HydrophobicContact CB-CH2 4.18Å; E105-W129 HydrophobicContact CB-CZ2 4.15Å; E105-N133 WeakPolarHBondContact O-CB 3.36Å; E105-N133 PolarHBondContact O-ND2 3.35Å
106K98.2Very high96.7Very high126 Ų12655.4 Ų55.455%0.54832%0.32SS..SBendtrans-116.8166.4179.9-57-177.4-179.9-179.60111.8Y104 G110 S134Y104-K106 VanDerWaalsContact C-N 3.33Å; Y104-K106 PolarHBondContact O-N 2.87Å; K106-G110 WeakPolarHBondContact CB-O 3.23Å; K106-G110 PolarHBondContact N-O 2.93Å; K106-S134 PolarHBondContact O-OG 2.93Å
107A98.1Very high97.4Very high47 Ų4755 Ų5539%0.38830%0.301SS..G310 helixtrans-62.1163.6171.400000111.1F109 G110 R163A107-F109 PolarHBondContact O-N 2.86Å; A107-F109 VanDerWaalsContact O-N 3.15Å; A107-G110 PolarHBondContact O-N 2.81Å; A107-G110 VanDerWaalsContact O-N 3.13Å; A107-R163 WeakPolarHBondContact CA-O 3.14Å
108D98.4Very high97.8Very high99 Ų9959.1 Ų59.153%0.52932%0.319SS..G310 helixtrans52.736.2176.7-71.4-65.6000114.1G110 R163D108-G110 PolarHBondContact O-N 3.49Å; D108-R163 PolarHBondContact N-O 3.22Å; D108-R163 WeakPolarHBondContact OD1-CD 3.48Å; D108-R163 IonicContact OD1-CZ 3.95Å; D108-R163 IonicContact OD1-NH1 2.98Å; D108-R163 PolarHBondContact OD1-NH1 3.03Å
109F98.5Very high98.1Very high34 Ų3455.6 Ų55.615%0.14930%0.301CS..G310 helixtrans63.126.6177.6-40.3-54.8000114.1Y104 A107 S134 C135 K136 E161 Y162 R163Y104-F109 VanDerWaalsContact CD1-C 3.42Å; Y104-F109 HydrophobicContact CD1-CB 3.99Å; Y104-F109 WeakPolarHBondContact CD1-O 3.31Å; Y104-F109 HydrophobicContact CD2-CB 4.19Å; Y104-F109 AromaticContact CD2-CD1 3.79Å; Y104-F109 HydrophobicContact CD2-CD1 3.79Å; Y104-F109 HydrophobicContact CD2-CG 4.48Å; Y104-F109 HydrophobicContact CE1-CB 3.75Å; Y104-F109 WeakPolarHBondContact CE1-O 3.38Å; Y104-F109 HydrophobicContact CE2-CB 3.97Å; Y104-F109 AromaticContact CE2-CD1 3.64Å; Y104-F109 HydrophobicContact CE2-CD1 3.64Å; Y104-F109 HydrophobicContact CE2-CG 4.17Å; Y104-F109 HydrophobicContact CG-CB 4.19Å; Y104-F109 HydrophobicContact CG-CD1 4.49Å; A107-F109 PolarHBondContact O-N 2.86Å; A107-F109 VanDerWaalsContact O-N 3.15Å; F109-S134 VanDerWaalsContact CA-OG 3.31Å; F109-S134 WeakPolarHBondContact CA-OG 3.45Å; F109-S134 PolarHBondContact N-OG 3.23Å; F109-C135 WeakPolarHBondContact CE1-O 3.26Å; F109-K136 HydrophobicContact CD1-CD 4.35Å; F109-K136 HydrophobicContact CD1-CG 3.83Å; F109-K136 HydrophobicContact CE1-CD 4.4Å; F109-K136 HydrophobicContact CE1-CG 3.62Å; F109-K136 HydrophobicContact CG-CG 4.47Å; F109-K136 HydrophobicContact CZ-CG 4.09Å; F109-E161 HydrophobicContact CE2-CB 4.48Å; F109-E161 HydrophobicContact CZ-CB 3.81Å; F109-E161 HydrophobicContact CZ-CG 4.21Å; F109-Y162 WeakPolarHBondContact CE1-O 3.4Å; F109-R163 HydrophobicContact CE1-CG 4.41Å; F109-R163 HydrophobicContact CE2-CG 3.82Å; F109-R163 HydrophobicContact CZ-CG 3.58Å
110G98.1Very high98.2Very high26 Ų2653.4 Ų53.427%0.26829%0.292SS..  trans-89.8168.6177.500000114.3K106 A107 D108K106-G110 WeakPolarHBondContact CB-O 3.23Å; K106-G110 PolarHBondContact N-O 2.93Å; A107-G110 PolarHBondContact O-N 2.81Å; A107-G110 VanDerWaalsContact O-N 3.13Å; D108-G110 PolarHBondContact O-N 3.49Å
111G97.6Very high98.2Very high50 Ų5052.5 Ų52.552%0.51529%0.294SS..SBendtrans77.8-159.3175.500000113.4
112Q97.6Very high98.2Very high110 Ų11053 Ų5351%0.51430%0.298SS..  trans-64.5142.7175.2-168.9-175.61500110.1Y104 E105 W129Y104-Q112 WeakPolarHBondContact CA-O 3.33Å; E105-Q112 HydrophobicContact CB-CB 4.29Å; E105-Q112 PolarHBondContact N-O 3.07Å; E105-Q112 PolarHBondContact OE2-N 3.43Å; Q112-W129 HydrophobicContact CB-CZ2 3.77Å; Q112-W129 HydrophobicContact CG-CZ2 3.79Å; Q112-W129 VanDerWaalsContact O-CH2 3.23Å; Q112-W129 WeakPolarHBondContact O-CH2 3.41Å
113A98.1Very high98.1Very high42 Ų4250.7 Ų50.735%0.34729%0.287SS..EExtended strand (participates in β ladder)trans-122.614217700000110.9Q102 L103 Y104Q102-A113 HydrophobicContact CG-CB 4.18Å; L103-A113 CarbonylContact O-C 3.58Å; L103-A113 VanDerWaalsContact O-CA 3.26Å; L103-A113 WeakPolarHBondContact O-CA 3.3Å; Y104-A113 HydrophobicContact CD1-CB 3.63Å; Y104-A113 HydrophobicContact CE1-CB 3.66Å; Y104-A113 HydrophobicContact CG-CB 4.43Å
114V98.1Very high98Very high20 Ų2053.5 Ų53.512%0.12130%0.301CS..EExtended strand (participates in β ladder)trans-129.1134.2174.4-61.80000110.3Q102 L103 F127 W129Q102-V114 CarbonylContact C-O 3.46Å; Q102-V114 WeakPolarHBondContact CA-O 3.47Å; L103-V114 HydrophobicContact CB-CG2 3.82Å; L103-V114 HydrophobicContact CD1-CG2 4.19Å; L103-V114 HydrophobicContact CG-CG2 4.33Å; L103-V114 PolarHBondContact N-O 3.46Å; L103-V114 PolarHBondContact O-N 3.25Å; V114-F127 HydrophobicContact CB-CD1 4.15Å; V114-F127 HydrophobicContact CB-CE1 4.09Å; V114-F127 HydrophobicContact CG1-CD1 3.95Å; V114-F127 HydrophobicContact CG1-CE1 4.35Å; V114-F127 HydrophobicContact CG1-CG 4.41Å; V114-F127 HydrophobicContact CG2-CD1 4.27Å; V114-F127 HydrophobicContact CG2-CD2 4.34Å; V114-F127 HydrophobicContact CG2-CE1 4.28Å; V114-F127 HydrophobicContact CG2-CE2 4.36Å; V114-F127 HydrophobicContact CG2-CG 4.29Å; V114-F127 HydrophobicContact CG2-CZ 4.31Å; V114-W129 HydrophobicContact CB-CH2 4.47Å; V114-W129 HydrophobicContact CG1-CH2 4.08Å; V114-W129 HydrophobicContact CG1-CZ2 3.86Å; V114-W129 HydrophobicContact CG2-CE3 4.45Å; V114-W129 HydrophobicContact CG2-CH2 3.86Å; V114-W129 HydrophobicContact CG2-CZ2 4.39Å; V114-W129 HydrophobicContact CG2-CZ3 3.91Å
115E98.2Very high98Very high101 Ų10159.4 Ų59.447%0.47233%0.33SS..EExtended strand (participates in β ladder)trans-86.8140.8173.3-176.6169.7130.700110.3K100K100-E115 WeakPolarHBondContact CE-OE1 3.45Å; K100-E115 WeakPolarHBondContact CE-OE2 3.31Å; K100-E115 HydrophobicContact CG-CG 4.43Å; K100-E115 IonicContact NZ-OE1 3.49Å; K100-E115 PolarHBondContact NZ-OE1 3.41Å; K100-E115 IonicContact NZ-OE2 2.71Å; K100-E115 PolarHBondContact NZ-OE2 3.35Å
116A97.8Very high98Very high3 Ų360.1 Ų60.13%0.02533%0.331CS..EExtended strand (participates in β ladder)trans-131.8125176.800000111M101 W142 F178M101-A116 HydrophobicContact CE-CB 3.89Å; M101-A116 HydrophobicContact CG-CB 3.91Å; M101-A116 PolarHBondContact N-O 2.87Å; M101-A116 PolarHBondContact O-N 2.81Å; A116-W142 HydrophobicContact CB-CH2 4.49Å; A116-F178 HydrophobicContact CB-CE2 3.66Å; A116-F178 HydrophobicContact CB-CZ 3.58Å
117T97.9Very high97.8Very high68 Ų6856.1 Ų56.142%0.41731%0.314SS..SBendtrans-121.6-7.1175.553.90000112.7Y99 K100Y99-T117 WeakPolarHBondContact O-CA 3.37Å; K100-T117 HydrophobicContact CG-CG2 4.32Å
118E97.8Very high97.8Very high115 Ų11562.9 Ų62.954%0.53733%0.33SS..SBendtrans-129.9166.1-177.1-63.8-179.1164.500110.4F178E118-F178 WeakPolarHBondContact O-CE2 3.46Å
119D98.6Very high97.7Very high52 Ų5259 Ų5928%0.27831%0.308SS..  trans-66.1151.6175.8-48.2-40.7000111.1R179 R180D119-R179 HydrophobicContact CB-CB 4Å; D119-R179 WeakPolarHBondContact OD1-CA 3.36Å; D119-R180 WeakPolarHBondContact OD1-CB 3.45Å; D119-R180 WeakPolarHBondContact OD1-CG 3.48Å; D119-R180 IonicContact OD1-CZ 3.49Å; D119-R180 PolarHBondContact OD1-N 2.87Å; D119-R180 IonicContact OD1-NE 3.77Å; D119-R180 PolarHBondContact OD1-NE 3.16Å; D119-R180 IonicContact OD1-NH2 2.67Å; D119-R180 IonicContact OD2-CZ 2.76Å; D119-R180 IonicContact OD2-NE 3.64Å; D119-R180 IonicContact OD2-NH2 2.81Å; D119-R180 PolarHBondContact OD2-NH2 2.78Å
120C98.6Very high97.5Very high0 Ų065.8 Ų65.80%033%0.332CS..BIsolated β-bridgetrans-134.7102.2-180-177.60000109.7S122 K126 S177 F178C120-S122 VanDerWaalsContact C-N 3.27Å; C120-S122 PolarHBondContact O-N 2.94Å; C120-S122 VanDerWaalsContact SG-C 3.58Å; C120-S122 PolarHBondContact SG-O 3.19Å; C120-K126 HydrophobicContact CB-CD 4.3Å; C120-S177 CarbonylContact O-C 3.55Å; C120-S177 WeakPolarHBondContact O-CA 3.49Å; C120-S177 WeakPolarHBondContact O-CB 3.47Å; C120-F178 HydrophobicContact CB-CD1 3.87Å; C120-F178 HydrophobicContact CB-CD2 3.83Å; C120-F178 HydrophobicContact CB-CE1 3.43Å; C120-F178 VanDerWaalsContact CB-CE1 3.43Å; C120-F178 HydrophobicContact CB-CE2 3.41Å; C120-F178 VanDerWaalsContact CB-CE2 3.41Å; C120-F178 HydrophobicContact CB-CG 4.06Å; C120-F178 HydrophobicContact CB-CZ 3.2Å; C120-F178 PolarHBondContact N-O 3.25Å; C120-F178 PolarHBondContact O-N 2.87Å
121P98.5Very high97.4Very high53 Ų5369.1 Ų69.134%0.34434%0.341SS..SBendtrans-73.4-17.4179.328.8-34.5000113.2P148 N149 Y150 S177P121-P148 CarbonylContact O-C 3.57Å; P121-P148 WeakPolarHBondContact O-CA 3.32Å; P121-N149 PolarHBondContact O-N 2.76Å; P121-Y150 HydrophobicContact CB-CE1 4.38Å; P121-Y150 HydrophobicContact CB-CE2 4.44Å; P121-S177 VanDerWaalsContact O-CB 3.27Å; P121-S177 WeakPolarHBondContact O-CB 3.14Å
122S98.3Very high97.5Very high11 Ų1166.7 Ų66.78%0.07732%0.316CS..  trans-152.4110.4178.9179.30000111.8C120 L124 E125 K126 Q176C120-S122 VanDerWaalsContact C-N 3.27Å; C120-S122 PolarHBondContact O-N 2.94Å; C120-S122 VanDerWaalsContact SG-C 3.58Å; C120-S122 PolarHBondContact SG-O 3.19Å; S122-L124 VanDerWaalsContact C-N 3.29Å; S122-L124 PolarHBondContact O-N 2.95Å; S122-E125 PolarHBondContact O-N 3.12Å; S122-E125 WeakPolarHBondContact OG-CG 3.4Å; S122-E125 PolarHBondContact OG-N 2.83Å; S122-K126 WeakPolarHBondContact O-CB 3.31Å; S122-K126 PolarHBondContact O-N 2.91Å; S122-K126 VanDerWaalsContact O-N 3.07Å; S122-Q176 CarbonylContact C-O 3.52Å; S122-Q176 WeakPolarHBondContact CA-O 3.44Å
123L97.2Very high97.5Very high0 Ų063.2 Ų63.20%030%0.301CS..Hα-helixtrans-61.6-39.8173.5-114.483.1000111.6E125 F127 R128 W129 V132 V175 Q176 F178L123-E125 VanDerWaalsContact C-N 3.33Å; L123-E125 PolarHBondContact O-N 2.82Å; L123-F127 HydrophobicContact CG-CD2 4.22Å; L123-F127 WeakPolarHBondContact O-CA 3.27Å; L123-F127 PolarHBondContact O-N 3.5Å; L123-R128 PolarHBondContact O-N 3.04Å; L123-W129 CarbonylContact C-O 3.47Å; L123-W129 HydrophobicContact CD2-CB 4Å; L123-W129 PolarHBondContact O-N 3.06Å; L123-V132 HydrophobicContact CD2-CG2 3.51Å; L123-V175 HydrophobicContact CD1-CG1 4.48Å; L123-Q176 PolarHBondContact N-O 3.38Å; L123-F178 HydrophobicContact CD1-CD1 3.46Å; L123-F178 VanDerWaalsContact CD1-CD1 3.46Å; L123-F178 HydrophobicContact CD1-CE1 3.51Å
124L97.3Very high97.5Very high59 Ų5961.2 Ų61.231%0.30928%0.284SS..Hα-helixtrans-67.1-36.6-177.3-179.363.2000111.5S122 R128 W129 R130S122-L124 VanDerWaalsContact C-N 3.29Å; S122-L124 PolarHBondContact O-N 2.95Å; L124-R128 VanDerWaalsContact O-CA 3.25Å; L124-R128 WeakPolarHBondContact O-CA 3.15Å; L124-R128 WeakPolarHBondContact O-CD 3.22Å; L124-R128 PolarHBondContact O-N 2.94Å; L124-R128 PolarHBondContact O-NH1 3.38Å; L124-W129 WeakPolarHBondContact CA-O 3.38Å; L124-W129 PolarHBondContact N-O 2.98Å; L124-R130 HydrophobicContact CD1-CG 4.18Å
125E97.5Very high97.6Very high146 Ų14660.3 Ų60.368%0.68228%0.279SS*.Hα-helixtrans-77.1-43.9177.6-70173.2-171.200111.7S122 L123S122-E125 PolarHBondContact O-N 3.12Å; S122-E125 WeakPolarHBondContact OG-CG 3.4Å; S122-E125 PolarHBondContact OG-N 2.83Å; L123-E125 VanDerWaalsContact C-N 3.33Å; L123-E125 PolarHBondContact O-N 2.82Å
126K97.1Very high97.6Very high100 Ų10057.5 Ų57.544%0.43527%0.265SS..Hα-helixtrans-77.6-42.9-174.7-167.6171.2-176.4169.60113.4C120 S122C120-K126 HydrophobicContact CB-CD 4.3Å; S122-K126 WeakPolarHBondContact O-CB 3.31Å; S122-K126 PolarHBondContact O-N 2.91Å; S122-K126 VanDerWaalsContact O-N 3.07Å
127F95.3Very high97.6Very high43 Ų4357.5 Ų57.519%0.18927%0.265CS..THydrogen-bonded Turntrans-121.8-3.8-171.5-54.2-60.7000114V114 L123 W129 F178V114-F127 HydrophobicContact CB-CD1 4.15Å; V114-F127 HydrophobicContact CB-CE1 4.09Å; V114-F127 HydrophobicContact CG1-CD1 3.95Å; V114-F127 HydrophobicContact CG1-CE1 4.35Å; V114-F127 HydrophobicContact CG1-CG 4.41Å; V114-F127 HydrophobicContact CG2-CD1 4.27Å; V114-F127 HydrophobicContact CG2-CD2 4.34Å; V114-F127 HydrophobicContact CG2-CE1 4.28Å; V114-F127 HydrophobicContact CG2-CE2 4.36Å; V114-F127 HydrophobicContact CG2-CG 4.29Å; V114-F127 HydrophobicContact CG2-CZ 4.31Å; L123-F127 HydrophobicContact CG-CD2 4.22Å; L123-F127 WeakPolarHBondContact O-CA 3.27Å; L123-F127 PolarHBondContact O-N 3.5Å; F127-W129 HydrophobicContact CB-CB 4.36Å; F127-W129 HydrophobicContact CB-CD2 4.46Å; F127-W129 HydrophobicContact CB-CG 4.1Å; F127-W129 PolarHBondContact O-N 3.15Å; F127-F178 HydrophobicContact CE2-CE1 4.09Å; F127-F178 HydrophobicContact CE2-CZ 4.03Å
128R96.9Very high97.6Very high189 Ų18958.2 Ų58.271%0.71326%0.262SS*.SBendtrans60.321-172.4-54.3-65.9177.4-156.95113.7L123 L124L123-R128 PolarHBondContact O-N 3.04Å; L124-R128 VanDerWaalsContact O-CA 3.25Å; L124-R128 WeakPolarHBondContact O-CA 3.15Å; L124-R128 WeakPolarHBondContact O-CD 3.22Å; L124-R128 PolarHBondContact O-N 2.94Å; L124-R128 PolarHBondContact O-NH1 3.38Å
129W96.7Very high97.6Very high18 Ų1855.1 Ų55.17%0.06825%0.249CC..  trans-96.8150.1178.9-71.512.3000111.4L103 E105 Q112 V114 L123 L124 F127L103-W129 HydrophobicContact CB-CZ3 4.01Å; E105-W129 HydrophobicContact CB-CH2 4.18Å; E105-W129 HydrophobicContact CB-CZ2 4.15Å; Q112-W129 HydrophobicContact CB-CZ2 3.77Å; Q112-W129 HydrophobicContact CG-CZ2 3.79Å; Q112-W129 VanDerWaalsContact O-CH2 3.23Å; Q112-W129 WeakPolarHBondContact O-CH2 3.41Å; V114-W129 HydrophobicContact CB-CH2 4.47Å; V114-W129 HydrophobicContact CG1-CH2 4.08Å; V114-W129 HydrophobicContact CG1-CZ2 3.86Å; V114-W129 HydrophobicContact CG2-CE3 4.45Å; V114-W129 HydrophobicContact CG2-CH2 3.86Å; V114-W129 HydrophobicContact CG2-CZ2 4.39Å; V114-W129 HydrophobicContact CG2-CZ3 3.91Å; L123-W129 CarbonylContact C-O 3.47Å; L123-W129 HydrophobicContact CD2-CB 4Å; L123-W129 PolarHBondContact O-N 3.06Å; L124-W129 WeakPolarHBondContact CA-O 3.38Å; L124-W129 PolarHBondContact N-O 2.98Å; F127-W129 HydrophobicContact CB-CB 4.36Å; F127-W129 HydrophobicContact CB-CD2 4.46Å; F127-W129 HydrophobicContact CB-CG 4.1Å; F127-W129 PolarHBondContact O-N 3.15Å
130R93.6Very high97.4Very high176 Ų17652.7 Ų52.766%0.66424%0.237SC*.SBendtrans-110-16.7172.9-67.9-175.1177.4-138-0.2113.5L124 Q176L124-R130 HydrophobicContact CD1-CG 4.18Å; R130-Q176 VanDerWaalsContact C-NE2 3.32Å; R130-Q176 VanDerWaalsContact CA-NE2 3.3Å; R130-Q176 PolarHBondContact O-NE2 3.41Å
131E97.2Very high97.4Very high95 Ų9554 Ų5444%0.44424%0.242SC..  trans-143153-168.9-66.7-178.6172.500109.8P173E131-P173 WeakPolarHBondContact CA-O 3.42Å; E131-P173 HydrophobicContact CB-CB 4.11Å; E131-P173 HydrophobicContact CB-CG 4.24Å; E131-P173 HydrophobicContact CG-CB 4.41Å; E131-P173 HydrophobicContact CG-CG 4.04Å
132V98.5Very high97.4Very high0 Ų051.5 Ų51.50%023%0.225CC..  trans-124.8121.2168.4176.60000106.7L103 L123 F144 W168 P173 V175L103-V132 HydrophobicContact CB-CG1 4.28Å; L103-V132 HydrophobicContact CD1-CG2 4.26Å; L103-V132 HydrophobicContact CD2-CG1 4.11Å; L123-V132 HydrophobicContact CD2-CG2 3.51Å; V132-F144 HydrophobicContact CG1-CE2 4.24Å; V132-F144 HydrophobicContact CG1-CZ 4.47Å; V132-W168 HydrophobicContact CG1-CH2 4.17Å; V132-W168 WeakPolarHBondContact O-CZ2 3.22Å; V132-P173 PolarHBondContact N-O 3.21Å; V132-P173 WeakPolarHBondContact O-CB 3.41Å; V132-V175 HydrophobicContact CB-CB 4.14Å; V132-V175 HydrophobicContact CB-CG2 4.25Å; V132-V175 HydrophobicContact CG2-CB 3.96Å; V132-V175 HydrophobicContact CG2-CG1 4.23Å
133N98.6Very high97.4Very high37 Ų3751 Ų5120%0.19822%0.222CC..  trans-104.7-21.3-174.6-76.9-77.2000113.2Y104 E105 K164 P165 P173Y104-N133 PolarHBondContact O-N 3.18Å; Y104-N133 VanDerWaalsContact O-N 3.13Å; E105-N133 WeakPolarHBondContact O-CB 3.36Å; E105-N133 PolarHBondContact O-ND2 3.35Å; N133-K164 VanDerWaalsContact O-CA 3.29Å; N133-K164 WeakPolarHBondContact O-CA 3.27Å; N133-P165 WeakPolarHBondContact O-CD 3.41Å; N133-P173 VanDerWaalsContact OD1-CB 3.24Å; N133-P173 WeakPolarHBondContact OD1-CB 3.5Å
134S98.8Very high97.5Very high0 Ų051 Ų510%022%0.222CC..EExtended strand (participates in β ladder)trans-154.9160.2166.761.90000110.5Y104 K106 F109 Y162 R163Y104-S134 VanDerWaalsContact CB-OG 3.32Å; Y104-S134 WeakPolarHBondContact CB-OG 3.29Å; Y104-S134 PolarHBondContact N-O 2.96Å; Y104-S134 PolarHBondContact O-N 3.46Å; K106-S134 PolarHBondContact O-OG 2.93Å; F109-S134 VanDerWaalsContact CA-OG 3.31Å; F109-S134 WeakPolarHBondContact CA-OG 3.45Å; F109-S134 PolarHBondContact N-OG 3.23Å; S134-Y162 CarbonylContact C-O 3.53Å; S134-Y162 VanDerWaalsContact CA-O 3.28Å; S134-Y162 WeakPolarHBondContact CA-O 3.38Å; S134-Y162 WeakPolarHBondContact CB-O 3.37Å; S134-R163 WeakPolarHBondContact CB-O 3.32Å
135C98.8Very high97.6Very high0 Ų048.1 Ų48.10%021%0.207CC..EExtended strand (participates in β ladder)trans-152.5156.5175.665.50000112.9Q102 L103 F109 F144 L157 Y162Q102-C135 CarbonylContact O-C 3.56Å; Q102-C135 WeakPolarHBondContact O-CA 3.35Å; Q102-C135 WeakPolarHBondContact O-CB 3.43Å; L103-C135 HydrophobicContact CD2-CB 3.73Å; F109-C135 WeakPolarHBondContact CE1-O 3.26Å; C135-F144 HydrophobicContact CB-CZ 4.27Å; C135-L157 WeakPolarHBondContact SG-CD2 3.5Å; C135-Y162 PolarHBondContact N-O 2.86Å; C135-Y162 PolarHBondContact O-N 2.9Å
136K98.8Very high97.6Very high42 Ų4242.7 Ų42.718%0.18318%0.182CC..EExtended strand (participates in β ladder)trans-118.4120.2169.1-62.2-173.6-174.2-146.30108.8M101 Q102 Y104 F109 F138 E161M101-K136 CarbonylContact C-O 3.48Å; M101-K136 WeakPolarHBondContact CA-O 3.25Å; M101-K136 WeakPolarHBondContact CB-O 3.34Å; Q102-K136 PolarHBondContact N-O 2.7Å; Q102-K136 PolarHBondContact O-N 3.05Å; Y104-K136 HydrophobicContact CE2-CD 4.41Å; Y104-K136 HydrophobicContact CE2-CG 4.04Å; F109-K136 HydrophobicContact CD1-CD 4.35Å; F109-K136 HydrophobicContact CD1-CG 3.83Å; F109-K136 HydrophobicContact CE1-CD 4.4Å; F109-K136 HydrophobicContact CE1-CG 3.62Å; F109-K136 HydrophobicContact CG-CG 4.47Å; F109-K136 HydrophobicContact CZ-CG 4.09Å; K136-F138 HydrophobicContact CB-CE1 4.35Å; K136-F138 HydrophobicContact CB-CE2 4.3Å; K136-F138 HydrophobicContact CB-CZ 4.07Å; K136-F138 HydrophobicContact CD-CE1 4.44Å; K136-F138 HydrophobicContact CD-CZ 4.32Å; K136-E161 HydrophobicContact CD-CG 4.42Å; K136-E161 WeakPolarHBondContact CE-OE1 3.37Å; K136-E161 HydrophobicContact CG-CG 4.25Å; K136-E161 IonicContact NZ-OE1 3.07Å; K136-E161 PolarHBondContact NZ-OE1 2.96Å
137V98.6Very high97.6Very high4 Ų443.8 Ų43.82%0.02418%0.183CC..EExtended strand (participates in β ladder)trans-93.7106.6169.7-178.90000106.8M101 G140 L157 E158 K159 G160 Y162M101-V137 HydrophobicContact CB-CG2 4.24Å; V137-G140 WeakPolarHBondContact CG1-O 3.26Å; V137-L157 HydrophobicContact CG2-CB 3.93Å; V137-L157 HydrophobicContact CG2-CD2 4.37Å; V137-E158 VanDerWaalsContact CB-O 3.24Å; V137-E158 WeakPolarHBondContact CB-O 3.47Å; V137-K159 WeakPolarHBondContact O-CA 3.49Å; V137-G160 PolarHBondContact N-O 3.23Å; V137-G160 PolarHBondContact O-N 3.34Å; V137-Y162 HydrophobicContact CG2-CD2 4.44Å; V137-Y162 HydrophobicContact CG2-CE2 4.01Å
138F97.9Very high97.7Very high83 Ų8344 Ų4436%0.36419%0.189SC..EExtended strand (participates in β ladder)trans-77-39-179-64.2-74.8000111.2K100 Q102 K136 K159K100-F138 HydrophobicContact CB-CB 4.41Å; K100-F138 HydrophobicContact CD-CD2 4.29Å; K100-F138 HydrophobicContact CG-CB 4.48Å; K100-F138 HydrophobicContact CG-CD2 3.98Å; K100-F138 PolarHBondContact O-N 2.86Å; Q102-F138 HydrophobicContact CB-CE2 3.68Å; Q102-F138 HydrophobicContact CB-CZ 4.32Å; K136-F138 HydrophobicContact CB-CE1 4.35Å; K136-F138 HydrophobicContact CB-CE2 4.3Å; K136-F138 HydrophobicContact CB-CZ 4.07Å; K136-F138 HydrophobicContact CD-CE1 4.44Å; K136-F138 HydrophobicContact CD-CZ 4.32Å; F138-K159 WeakPolarHBondContact O-CD 3.41Å; F138-K159 WeakPolarHBondContact O-CE 3.48Å; F138-K159 WeakPolarHBondContact O-CG 3.49Å
139D96.4Very high97.8Very high49 Ų4940.4 Ų40.426%0.26218%0.184SC..EExtended strand (participates in β ladder)trans-160.3158.2178.8-160.517.7000110.9L98 K100 W142L98-D139 HydrophobicContact CB-CB 4.49Å; L98-D139 PolarHBondContact N-OD2 3.29Å; L98-D139 CarbonylContact O-C 3.59Å; L98-D139 WeakPolarHBondContact O-CB 3.28Å; K100-D139 PolarHBondContact N-O 3.45Å; K100-D139 VanDerWaalsContact N-O 3.14Å; K100-D139 PolarHBondContact O-N 3.36Å; D139-W142 PolarHBondContact O-NE1 3.5Å
140G95.7Very high97.9Very high2 Ų242.6 Ų42.62%0.02119%0.192CC..SBendtrans82.7177.7-175.500000114.8L98 V137L98-G140 PolarHBondContact O-N 2.81Å; V137-G140 WeakPolarHBondContact CG1-O 3.26Å
141W97.8Very high98Very high27 Ų2736.8 Ų36.810%0.10218%0.177CC..  trans-114.3136.3176.1-64.5-90.7000109.1V91 H92 F93 T97 Y99 F156 L157 F181V91-W141 HydrophobicContact CG1-CD2 4.49Å; V91-W141 HydrophobicContact CG1-CG 4.24Å; H92-W141 WeakPolarHBondContact O-CH2 3.22Å; H92-W141 WeakPolarHBondContact O-CZ2 3.16Å; F93-W141 HydrophobicContact CB-CZ3 4.46Å; F93-W141 AromaticContact CD1-CD2 3.88Å; F93-W141 HydrophobicContact CD1-CD2 3.88Å; F93-W141 AromaticContact CD1-CE3 3.44Å; F93-W141 HydrophobicContact CD1-CE3 3.44Å; F93-W141 VanDerWaalsContact CD1-CE3 3.44Å; F93-W141 HydrophobicContact CD1-CH2 4.38Å; F93-W141 AromaticContact CD1-CZ3 3.72Å; F93-W141 HydrophobicContact CD1-CZ3 3.72Å; F93-W141 HydrophobicContact CE1-CB 4.35Å; F93-W141 HydrophobicContact CE1-CD2 4.01Å; F93-W141 AromaticContact CE1-CE3 3.85Å; F93-W141 HydrophobicContact CE1-CE3 3.85Å; F93-W141 HydrophobicContact CE1-CG 4.24Å; T97-W141 HydrophobicContact CG2-CE3 4.35Å; T97-W141 HydrophobicContact CG2-CZ3 3.81Å; Y99-W141 VanDerWaalsContact CE1-O 3.29Å; Y99-W141 WeakPolarHBondContact CE1-O 3.4Å; W141-F156 HydrophobicContact CB-CE2 3.99Å; W141-F156 HydrophobicContact CB-CZ 4.21Å; W141-F156 AromaticContact CD1-CZ 3.34Å; W141-F156 HydrophobicContact CG-CE2 4.35Å; W141-F156 HydrophobicContact CG-CZ 4.08Å; W141-L157 WeakPolarHBondContact CA-O 3.36Å; W141-F181 HydrophobicContact CB-CB 3.96Å; W141-F181 HydrophobicContact CB-CD1 4.49Å; W141-F181 PolarHBondContact O-N 2.71Å
142W98.6Very high98Very high0 Ų032.9 Ų32.90%016%0.161CC..EExtended strand (participates in β ladder)trans-130.1153.5-174.9-64.683.5000110.5Y99 M101 A116 D139 L157 F178 R179 R180Y99-W142 HydrophobicContact CD1-CZ2 4.4Å; M101-W142 HydrophobicContact CE-CD2 3.72Å; M101-W142 HydrophobicContact CE-CE3 3.3Å; M101-W142 HydrophobicContact CE-CG 4.38Å; M101-W142 HydrophobicContact CE-CH2 4.12Å; M101-W142 HydrophobicContact CE-CZ2 4.48Å; M101-W142 HydrophobicContact CE-CZ3 3.54Å; M101-W142 HydrophobicContact CG-CD2 4.24Å; M101-W142 HydrophobicContact CG-CH2 4.47Å; M101-W142 HydrophobicContact CG-CZ2 4.12Å; M101-W142 HydrophobicContact SD-CB 4.34Å; M101-W142 HydrophobicContact SD-CD2 3.77Å; M101-W142 HydrophobicContact SD-CE3 4.01Å; M101-W142 HydrophobicContact SD-CG 3.94Å; A116-W142 HydrophobicContact CB-CH2 4.49Å; D139-W142 PolarHBondContact O-NE1 3.5Å; W142-L157 HydrophobicContact CB-CB 4.39Å; W142-L157 PolarHBondContact N-O 3.35Å; W142-L157 PolarHBondContact O-N 2.9Å; W142-F178 AromaticContact CE3-CD2 3.97Å; W142-F178 HydrophobicContact CE3-CD2 3.97Å; W142-F178 AromaticContact CZ3-CD2 3.77Å; W142-F178 HydrophobicContact CZ3-CD2 3.77Å; W142-F178 AromaticContact CZ3-CE2 3.93Å; W142-F178 HydrophobicContact CZ3-CE2 3.93Å; W142-R179 WeakPolarHBondContact CA-O 3.46Å; W142-R180 HydrophobicContact CD2-CG 4.39Å; W142-R180 HydrophobicContact CE3-CG 3.94Å; W142-R180 HydrophobicContact CH2-CG 3.64Å; W142-R180 HydrophobicContact CZ2-CG 4.09Å; W142-R180 HydrophobicContact CZ3-CG 3.54Å
143V98.8Very high97.9Very high0 Ų036.2 Ų36.20%017%0.174CC..EExtended strand (participates in β ladder)trans-124.7119.5172.4-164.90000108.3V66 Y145 Q154 Y155 F178 R179 F181V66-V143 HydrophobicContact CB-CG2 4.45Å; V66-V143 HydrophobicContact CG1-CG1 4.33Å; V66-V143 HydrophobicContact CG1-CG2 3.95Å; V66-V143 HydrophobicContact CG2-CG1 4.28Å; V66-V143 HydrophobicContact CG2-CG2 3.93Å; V143-Y145 HydrophobicContact CB-CE2 3.69Å; V143-Y145 HydrophobicContact CG1-CD2 4.32Å; V143-Y145 HydrophobicContact CG1-CE1 4.19Å; V143-Y145 HydrophobicContact CG1-CE2 3.62Å; V143-Y145 WeakPolarHBondContact CG1-OH 3.26Å; V143-Q154 HydrophobicContact CG1-CB 3.95Å; V143-Y155 WeakPolarHBondContact CA-O 3.31Å; V143-F178 CarbonylContact O-C 3.5Å; V143-F178 WeakPolarHBondContact O-CA 3.33Å; V143-F178 WeakPolarHBondContact O-CB 3.3Å; V143-R179 PolarHBondContact N-O 2.88Å; V143-R179 PolarHBondContact O-N 2.68Å; V143-F181 HydrophobicContact CG2-CB 3.83Å; V143-F181 HydrophobicContact CG2-CD2 4.11Å; V143-F181 HydrophobicContact CG2-CG 4.17Å
144F98.8Very high97.9Very high0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-85.1146.7166.1-73.2-6.8000110.4M101 L103 V132 C135 Q154 Y155 L157 W168 V175 F178M101-F144 HydrophobicContact CE-CE1 3.87Å; M101-F144 HydrophobicContact SD-CE1 3.71Å; M101-F144 HydrophobicContact SD-CZ 4.14Å; L103-F144 HydrophobicContact CD2-CE1 3.89Å; L103-F144 HydrophobicContact CD2-CE2 4.48Å; L103-F144 HydrophobicContact CD2-CZ 3.42Å; L103-F144 VanDerWaalsContact CD2-CZ 3.42Å; V132-F144 HydrophobicContact CG1-CE2 4.24Å; V132-F144 HydrophobicContact CG1-CZ 4.47Å; C135-F144 HydrophobicContact CB-CZ 4.27Å; F144-Q154 CarbonylContact O-C 3.42Å; F144-Q154 VanDerWaalsContact O-CA 3.31Å; F144-Q154 WeakPolarHBondContact O-CA 3.41Å; F144-Y155 HydrophobicContact CB-CD2 4.01Å; F144-Y155 PolarHBondContact N-O 2.92Å; F144-Y155 PolarHBondContact O-N 2.87Å; F144-L157 HydrophobicContact CB-CD1 4.03Å; F144-L157 HydrophobicContact CD1-CD1 3.78Å; F144-L157 HydrophobicContact CD2-CD1 3.73Å; F144-L157 HydrophobicContact CD2-CD2 4.06Å; F144-L157 HydrophobicContact CE1-CD1 4.16Å; F144-L157 HydrophobicContact CE2-CD1 4.09Å; F144-L157 HydrophobicContact CE2-CD2 3.68Å; F144-L157 HydrophobicContact CG-CD1 3.56Å; F144-L157 HydrophobicContact CZ-CD1 4.29Å; F144-L157 HydrophobicContact CZ-CD2 3.94Å; F144-W168 HydrophobicContact CD2-CD2 4.43Å; F144-W168 HydrophobicContact CE2-CD2 4.4Å; F144-W168 HydrophobicContact CE2-CZ2 4.48Å; F144-V175 HydrophobicContact CB-CG1 3.85Å; F144-V175 HydrophobicContact CB-CG2 4.13Å; F144-V175 HydrophobicContact CD1-CG1 4.1Å; F144-V175 HydrophobicContact CD2-CB 4.49Å; F144-V175 HydrophobicContact CD2-CG1 4.03Å; F144-V175 HydrophobicContact CD2-CG2 3.68Å; F144-V175 HydrophobicContact CE2-CG2 4.38Å; F144-V175 HydrophobicContact CG-CG1 3.73Å; F144-V175 HydrophobicContact CG-CG2 4.11Å; F144-F178 HydrophobicContact CD1-CB 3.54Å; F144-F178 HydrophobicContact CD1-CG 4.4Å; F144-F178 HydrophobicContact CE1-CB 3.97Å; F144-F178 HydrophobicContact CE1-CG 4.38Å
145Y98.6Very high97.9Very high0 Ų035 Ų350%017%0.167CC..EExtended strand (participates in β ladder)trans-127.2134.6177-66.3-89.8000110.1M79 V143 R147 Y150 R153 Q154 Q176 S177 R179M79-Y145 HydrophobicContact CE-CE1 4.02Å; V143-Y145 HydrophobicContact CB-CE2 3.69Å; V143-Y145 HydrophobicContact CG1-CD2 4.32Å; V143-Y145 HydrophobicContact CG1-CE1 4.19Å; V143-Y145 HydrophobicContact CG1-CE2 3.62Å; V143-Y145 WeakPolarHBondContact CG1-OH 3.26Å; Y145-R147 PolarHBondContact O-N 2.89Å; Y145-Y150 VanDerWaalsContact CD1-O 3.32Å; Y145-Y150 WeakPolarHBondContact CD1-O 3.47Å; Y145-Y150 AromaticContact CD2-CD1 4Å; Y145-Y150 HydrophobicContact CD2-CD1 4Å; Y145-Y150 HydrophobicContact CD2-CG 4.48Å; Y145-Y150 VanDerWaalsContact CE1-O 3.31Å; Y145-Y150 WeakPolarHBondContact CE1-O 3.41Å; Y145-Y150 HydrophobicContact CE2-CD1 4.11Å; Y145-Y150 HydrophobicContact CE2-CG 4.37Å; Y145-Y150 VanDerWaalsContact CG-CA 3.49Å; Y145-R153 WeakPolarHBondContact CA-O 3.42Å; Y145-Q154 HydrophobicContact CD1-CG 3.92Å; Y145-Q154 HydrophobicContact CE1-CB 4.34Å; Y145-Q154 HydrophobicContact CE1-CG 3.56Å; Y145-Q154 PolarHBondContact OH-OE1 2.75Å; Y145-Q176 PolarHBondContact O-N 2.79Å; Y145-S177 VanDerWaalsContact CB-OG 3.31Å; Y145-S177 WeakPolarHBondContact CB-OG 3.22Å; Y145-S177 PolarHBondContact N-O 3.33Å; Y145-S177 PolarHBondContact O-N 3.29Å; Y145-R179 HydrophobicContact CE2-CG 3.94Å; Y145-R179 PolarHBondContact OH-NE 2.87Å; Y145-R179 PolarHBondContact OH-NH2 3.24Å; Y145-R179 VanDerWaalsContact OH-NH2 3.11Å
146E97.3Very high97.9Very high32 Ų3235.9 Ų35.915%0.1517%0.171CC..EExtended strand (participates in β ladder)trans-61-30.2177.8-178.6-178.3-14200112.9R153 L174 Q176E146-R153 HydrophobicContact CB-CB 4.07Å; E146-R153 PolarHBondContact N-O 3.18Å; E146-R153 WeakPolarHBondContact OE2-CG 3.43Å; E146-R153 PolarHBondContact OE2-N 3.19Å; E146-L174 HydrophobicContact CG-CD2 3.7Å; E146-L174 HydrophobicContact CG-CG 4.1Å; E146-Q176 WeakPolarHBondContact O-CB 3.41Å; E146-Q176 VanDerWaalsContact O-CG 3.26Å; E146-Q176 WeakPolarHBondContact O-CG 3.37Å
147R97.9Very high97.9Very high123 Ų12333.9 Ų33.946%0.46416%0.162SC..EExtended strand (participates in β ladder)trans-119.6162.7-178.6-65.7-170.5-62.7-94.312.1112.1Y145 T151 Q176 S177Y145-R147 PolarHBondContact O-N 2.89Å; R147-T151 WeakPolarHBondContact CB-O 3.28Å; R147-T151 VanDerWaalsContact CB-OG1 3.28Å; R147-T151 WeakPolarHBondContact CB-OG1 3.39Å; R147-T151 PolarHBondContact N-O 3.07Å; R147-T151 PolarHBondContact NE-OG1 2.71Å; R147-Q176 VanDerWaalsContact C-CB 3.43Å; R147-S177 PolarHBondContact O-OG 3.27Å
148P98.3Very high97.8Very high48 Ų4838 Ų3831%0.31218%0.181SC..THydrogen-bonded Turntrans-58.3163.8172.5-23.234.2000112.4P121 Y150 T151 Q176P121-P148 CarbonylContact O-C 3.57Å; P121-P148 WeakPolarHBondContact O-CA 3.32Å; P148-Y150 VanDerWaalsContact C-N 3.26Å; P148-Y150 PolarHBondContact O-N 2.66Å; P148-T151 PolarHBondContact O-N 3.4Å; P148-T151 PolarHBondContact O-OG1 2.69Å; P148-Q176 HydrophobicContact CG-CB 4.05Å
149N98.3Very high97.7Very high112 Ų11241.1 Ų41.160%0.59919%0.194SC*.THydrogen-bonded Turntrans56.536.6175.3-57.1-50000114P121 T151P121-N149 PolarHBondContact O-N 2.76Å; N149-T151 WeakPolarHBondContact O-CG2 3.38Å; N149-T151 PolarHBondContact O-N 3.02Å
150Y98.1Very high97.8Very high65 Ų6540.2 Ų40.226%0.25520%0.196SC..THydrogen-bonded Turntrans61.541.4174.3-37.6-54.6000113.5P121 Y145 P148 S177 F178 R179P121-Y150 HydrophobicContact CB-CE1 4.38Å; P121-Y150 HydrophobicContact CB-CE2 4.44Å; Y145-Y150 VanDerWaalsContact CD1-O 3.32Å; Y145-Y150 WeakPolarHBondContact CD1-O 3.47Å; Y145-Y150 AromaticContact CD2-CD1 4Å; Y145-Y150 HydrophobicContact CD2-CD1 4Å; Y145-Y150 HydrophobicContact CD2-CG 4.48Å; Y145-Y150 VanDerWaalsContact CE1-O 3.31Å; Y145-Y150 WeakPolarHBondContact CE1-O 3.41Å; Y145-Y150 HydrophobicContact CE2-CD1 4.11Å; Y145-Y150 HydrophobicContact CE2-CG 4.37Å; Y145-Y150 VanDerWaalsContact CG-CA 3.49Å; P148-Y150 VanDerWaalsContact C-N 3.26Å; P148-Y150 PolarHBondContact O-N 2.66Å; Y150-S177 WeakPolarHBondContact CA-OG 3.33Å; Y150-S177 PolarHBondContact N-OG 3.44Å; Y150-F178 WeakPolarHBondContact CE1-O 3.29Å; Y150-R179 HydrophobicContact CD1-CB 4.12Å; Y150-R179 HydrophobicContact CD1-CG 4.43Å; Y150-R179 HydrophobicContact CE1-CB 3.88Å
151T97.2Very high98Very high54 Ų5445.1 Ų45.133%0.33122%0.219SC..EExtended strand (participates in β ladder)trans-120.6164.2-178.968.10000112.6R147 P148 N149R147-T151 WeakPolarHBondContact CB-O 3.28Å; R147-T151 VanDerWaalsContact CB-OG1 3.28Å; R147-T151 WeakPolarHBondContact CB-OG1 3.39Å; R147-T151 PolarHBondContact N-O 3.07Å; R147-T151 PolarHBondContact NE-OG1 2.71Å; P148-T151 PolarHBondContact O-N 3.4Å; P148-T151 PolarHBondContact O-OG1 2.69Å; N149-T151 WeakPolarHBondContact O-CG2 3.38Å; N149-T151 PolarHBondContact O-N 3.02Å
152G96.3Very high98Very high12 Ų1245.2 Ų45.212%0.12422%0.219CC..EExtended strand (participates in β ladder)trans87.6-157.9179.700000112.9
153R97.4Very high98Very high70 Ų7050.4 Ų50.426%0.26424%0.239SC..EExtended strand (participates in β ladder)trans-61.8139178.2-67.9170.7172.8176.6-5.7110Y63 Y145 E146 Y155Y63-R153 HydrophobicContact CD1-CG 4.33Å; Y63-R153 HydrophobicContact CE1-CG 4.27Å; Y63-R153 VanDerWaalsContact CE1-NE 3.29Å; Y63-R153 PolarHBondContact OH-NH2 3.49Å; Y145-R153 WeakPolarHBondContact CA-O 3.42Å; E146-R153 HydrophobicContact CB-CB 4.07Å; E146-R153 PolarHBondContact N-O 3.18Å; E146-R153 WeakPolarHBondContact OE2-CG 3.43Å; E146-R153 PolarHBondContact OE2-N 3.19Å; R153-Y155 HydrophobicContact CB-CE2 4.25Å
154Q98.4Very high98Very high4 Ų456 Ų562%0.01926%0.263CS..EExtended strand (participates in β ladder)trans-106.7143.9178.8-46.7-176.361.600109.3V66 W78 V143 F144 Y145V66-Q154 VanDerWaalsContact CG2-OE1 3.28Å; W78-Q154 PolarHBondContact O-NE2 2.84Å; V143-Q154 HydrophobicContact CG1-CB 3.95Å; F144-Q154 CarbonylContact O-C 3.42Å; F144-Q154 VanDerWaalsContact O-CA 3.31Å; F144-Q154 WeakPolarHBondContact O-CA 3.41Å; Y145-Q154 HydrophobicContact CD1-CG 3.92Å; Y145-Q154 HydrophobicContact CE1-CB 4.34Å; Y145-Q154 HydrophobicContact CE1-CG 3.56Å; Y145-Q154 PolarHBondContact OH-OE1 2.75Å
155Y98.5Very high98Very high9 Ų957 Ų574%0.03527%0.269CS..EExtended strand (participates in β ladder)trans-131121.2172.9-47.2-80.2000108V143 F144 R153 L157 W168 A170V143-Y155 WeakPolarHBondContact CA-O 3.31Å; F144-Y155 HydrophobicContact CB-CD2 4.01Å; F144-Y155 PolarHBondContact N-O 2.92Å; F144-Y155 PolarHBondContact O-N 2.87Å; R153-Y155 HydrophobicContact CB-CE2 4.25Å; Y155-L157 VanDerWaalsContact O-CD1 3.24Å; Y155-L157 WeakPolarHBondContact O-CD1 3.12Å; Y155-W168 AromaticContact CG-CD1 3.73Å; Y155-A170 HydrophobicContact CD1-CB 3.98Å; Y155-A170 HydrophobicContact CE1-CB 3.51Å; Y155-A170 HydrophobicContact CE2-CB 4.19Å
156F98.4Very high98Very high18 Ų1859.2 Ų59.28%0.07929%0.292CS..EExtended strand (participates in β ladder)trans-87.3131.5179.4-178.4-111.9000109.9V53 V66 V91 W141 E158 F181V53-F156 HydrophobicContact CG1-CB 4.22Å; V53-F156 HydrophobicContact CG2-CB 4.18Å; V53-F156 HydrophobicContact CG2-CD1 3.6Å; V53-F156 HydrophobicContact CG2-CD2 3.97Å; V53-F156 HydrophobicContact CG2-CE1 3.77Å; V53-F156 HydrophobicContact CG2-CE2 4.16Å; V53-F156 HydrophobicContact CG2-CG 3.65Å; V53-F156 HydrophobicContact CG2-CZ 4.02Å; V66-F156 HydrophobicContact CG1-CB 4.23Å; V66-F156 HydrophobicContact CG1-CD2 3.82Å; V66-F156 HydrophobicContact CG1-CG 4.37Å; V91-F156 HydrophobicContact CB-CZ 4.44Å; V91-F156 HydrophobicContact CG1-CZ 3.89Å; V91-F156 HydrophobicContact CG2-CE1 4.23Å; V91-F156 HydrophobicContact CG2-CE2 4.25Å; V91-F156 HydrophobicContact CG2-CZ 3.66Å; W141-F156 HydrophobicContact CB-CE2 3.99Å; W141-F156 HydrophobicContact CB-CZ 4.21Å; W141-F156 AromaticContact CD1-CZ 3.34Å; W141-F156 HydrophobicContact CG-CE2 4.35Å; W141-F156 HydrophobicContact CG-CZ 4.08Å; F156-E158 HydrophobicContact CD1-CG 3.99Å; F156-E158 HydrophobicContact CE1-CG 3.39Å; F156-E158 HydrophobicContact CZ-CG 4.09Å; F156-F181 HydrophobicContact CD2-CD1 4.46Å; F156-F181 HydrophobicContact CE2-CB 4.36Å; F156-F181 AromaticContact CE2-CD1 3.62Å; F156-F181 HydrophobicContact CE2-CD1 3.62Å; F156-F181 HydrophobicContact CE2-CE1 4.25Å; F156-F181 HydrophobicContact CE2-CG 4.22Å; F156-F181 HydrophobicContact CZ-CD1 4.42Å
157L98.5Very high98Very high0 Ų061 Ų610%030%0.303CS..EExtended strand (participates in β ladder)trans-123.4128178.8-55.694.5000109.7C135 V137 W141 W142 F144 Y155 Y162 W168C135-L157 WeakPolarHBondContact SG-CD2 3.5Å; V137-L157 HydrophobicContact CG2-CB 3.93Å; V137-L157 HydrophobicContact CG2-CD2 4.37Å; W141-L157 WeakPolarHBondContact CA-O 3.36Å; W142-L157 HydrophobicContact CB-CB 4.39Å; W142-L157 PolarHBondContact N-O 3.35Å; W142-L157 PolarHBondContact O-N 2.9Å; F144-L157 HydrophobicContact CB-CD1 4.03Å; F144-L157 HydrophobicContact CD1-CD1 3.78Å; F144-L157 HydrophobicContact CD2-CD1 3.73Å; F144-L157 HydrophobicContact CD2-CD2 4.06Å; F144-L157 HydrophobicContact CE1-CD1 4.16Å; F144-L157 HydrophobicContact CE2-CD1 4.09Å; F144-L157 HydrophobicContact CE2-CD2 3.68Å; F144-L157 HydrophobicContact CG-CD1 3.56Å; F144-L157 HydrophobicContact CZ-CD1 4.29Å; F144-L157 HydrophobicContact CZ-CD2 3.94Å; Y155-L157 VanDerWaalsContact O-CD1 3.24Å; Y155-L157 WeakPolarHBondContact O-CD1 3.12Å; L157-Y162 HydrophobicContact CB-CE2 4.17Å; L157-Y162 HydrophobicContact CD2-CD1 4.47Å; L157-Y162 HydrophobicContact CD2-CD2 4.08Å; L157-Y162 HydrophobicContact CD2-CE1 4.43Å; L157-Y162 HydrophobicContact CD2-CE2 4.03Å; L157-Y162 HydrophobicContact CD2-CG 4.31Å; L157-W168 HydrophobicContact CD2-CB 4.06Å; L157-W168 HydrophobicContact CD2-CE3 4.37Å; L157-W168 HydrophobicContact CD2-CG 4.44Å; L157-W168 HydrophobicContact CG-CB 4.17Å
158E96.4Very high98Very high89 Ų8955.4 Ų55.442%0.41628%0.282SS..  trans-100.7175.4170.8-56.7-167.2112.200109.2V137 F156 G160 Y162V137-E158 VanDerWaalsContact CB-O 3.24Å; V137-E158 WeakPolarHBondContact CB-O 3.47Å; F156-E158 HydrophobicContact CD1-CG 3.99Å; F156-E158 HydrophobicContact CE1-CG 3.39Å; F156-E158 HydrophobicContact CZ-CG 4.09Å; E158-G160 PolarHBondContact O-N 3.28Å; E158-Y162 PolarHBondContact N-OH 3.34Å; E158-Y162 WeakPolarHBondContact O-CE2 3.35Å; E158-Y162 PolarHBondContact O-OH 2.86Å
159K97Very high97.8Very high150 Ų15055.3 Ų55.365%0.65229%0.29SS*.SBendtrans-52.5123.4171.4-179.9174-179168.40110.8V137 F138V137-K159 WeakPolarHBondContact O-CA 3.49Å; F138-K159 WeakPolarHBondContact O-CD 3.41Å; F138-K159 WeakPolarHBondContact O-CE 3.48Å; F138-K159 WeakPolarHBondContact O-CG 3.49Å
160G98.2Very high97.7Very high29 Ų2950.3 Ų50.330%0.29926%0.264SS..EExtended strand (participates in β ladder)trans165.7177.2-175.500000114.6V137 E158V137-G160 PolarHBondContact N-O 3.23Å; V137-G160 PolarHBondContact O-N 3.34Å; E158-G160 PolarHBondContact O-N 3.28Å
161E98.8Very high97.5Very high105 Ų10553.4 Ų53.449%0.49129%0.289SS..EExtended strand (participates in β ladder)trans-108.7122.2176.4-74.5-155.9157.700109.5F109 K136 R163F109-E161 HydrophobicContact CE2-CB 4.48Å; F109-E161 HydrophobicContact CZ-CB 3.81Å; F109-E161 HydrophobicContact CZ-CG 4.21Å; K136-E161 HydrophobicContact CD-CG 4.42Å; K136-E161 WeakPolarHBondContact CE-OE1 3.37Å; K136-E161 HydrophobicContact CG-CG 4.25Å; K136-E161 IonicContact NZ-OE1 3.07Å; K136-E161 PolarHBondContact NZ-OE1 2.96Å; E161-R163 IonicContact OE2-NH2 3.39Å; E161-R163 PolarHBondContact OE2-NH2 2.9Å
162Y98.8Very high97.5Very high30 Ų3052.7 Ų52.712%0.11829%0.286CS..EExtended strand (participates in β ladder)trans-119.2104.4179.8-58.1-97.5000109.1F109 S134 C135 V137 L157 E158 D167 W168F109-Y162 WeakPolarHBondContact CE1-O 3.4Å; S134-Y162 CarbonylContact C-O 3.53Å; S134-Y162 VanDerWaalsContact CA-O 3.28Å; S134-Y162 WeakPolarHBondContact CA-O 3.38Å; S134-Y162 WeakPolarHBondContact CB-O 3.37Å; C135-Y162 PolarHBondContact N-O 2.86Å; C135-Y162 PolarHBondContact O-N 2.9Å; V137-Y162 HydrophobicContact CG2-CD2 4.44Å; V137-Y162 HydrophobicContact CG2-CE2 4.01Å; L157-Y162 HydrophobicContact CB-CE2 4.17Å; L157-Y162 HydrophobicContact CD2-CD1 4.47Å; L157-Y162 HydrophobicContact CD2-CD2 4.08Å; L157-Y162 HydrophobicContact CD2-CE1 4.43Å; L157-Y162 HydrophobicContact CD2-CE2 4.03Å; L157-Y162 HydrophobicContact CD2-CG 4.31Å; E158-Y162 PolarHBondContact N-OH 3.34Å; E158-Y162 WeakPolarHBondContact O-CE2 3.35Å; E158-Y162 PolarHBondContact O-OH 2.86Å; Y162-D167 HydrophobicContact CD1-CB 3.84Å; Y162-D167 HydrophobicContact CG-CB 4.45Å; Y162-W168 HydrophobicContact CD1-CB 3.96Å; Y162-W168 HydrophobicContact CD1-CE3 4.17Å; Y162-W168 HydrophobicContact CE1-CB 4.14Å; Y162-W168 HydrophobicContact CG-CE3 4.08Å
163R98.8Very high97.5Very high108 Ų10853.3 Ų53.341%0.40829%0.289SS..  trans-82.7-20.1-170.8-69.4175.7172.4-81-8.7113.3A107 D108 F109 S134 E161 D167A107-R163 WeakPolarHBondContact CA-O 3.14Å; D108-R163 PolarHBondContact N-O 3.22Å; D108-R163 WeakPolarHBondContact OD1-CD 3.48Å; D108-R163 IonicContact OD1-CZ 3.95Å; D108-R163 IonicContact OD1-NH1 2.98Å; D108-R163 PolarHBondContact OD1-NH1 3.03Å; F109-R163 HydrophobicContact CE1-CG 4.41Å; F109-R163 HydrophobicContact CE2-CG 3.82Å; F109-R163 HydrophobicContact CZ-CG 3.58Å; S134-R163 WeakPolarHBondContact CB-O 3.32Å; E161-R163 IonicContact OE2-NH2 3.39Å; E161-R163 PolarHBondContact OE2-NH2 2.9Å; R163-D167 WeakPolarHBondContact CA-OD2 3.5Å; R163-D167 PolarHBondContact N-OD2 2.72Å
164K98.5Very high97.5Very high119 Ų11953 Ų5352%0.51729%0.291SS..SBendtrans-154164.5179.861.4-175.7176.4-173.20111.5N133 G166 D167N133-K164 VanDerWaalsContact O-CA 3.29Å; N133-K164 WeakPolarHBondContact O-CA 3.27Å; K164-G166 PolarHBondContact O-N 2.89Å; K164-G166 VanDerWaalsContact O-N 3.14Å; K164-D167 VanDerWaalsContact CE-OD1 3.32Å; K164-D167 WeakPolarHBondContact CE-OD1 3.48Å; K164-D167 WeakPolarHBondContact CG-OD1 3.33Å; K164-D167 PolarHBondContact N-OD2 2.82Å; K164-D167 VanDerWaalsContact N-OD2 3.1Å; K164-D167 WeakPolarHBondContact O-CB 3.29Å; K164-D167 PolarHBondContact O-N 3.43Å
165P98.4Very high97.5Very high19 Ų1952.8 Ų52.812%0.12329%0.291CS..G310 helixtrans-59.4-29.7-177.9-2533.9000116N133 D167 W168 G169 A170 P173N133-P165 WeakPolarHBondContact O-CD 3.41Å; P165-D167 PolarHBondContact O-N 2.81Å; P165-W168 VanDerWaalsContact CA-CE2 3.42Å; P165-W168 HydrophobicContact CB-CH2 4.23Å; P165-W168 HydrophobicContact CB-CZ2 3.61Å; P165-W168 HydrophobicContact CG-CH2 4.11Å; P165-W168 HydrophobicContact CG-CZ2 3.82Å; P165-W168 PolarHBondContact O-N 3.12Å; P165-G169 PolarHBondContact O-N 3.43Å; P165-A170 CarbonylContact C-O 3.57Å; P165-A170 HydrophobicContact CB-CB 4.07Å; P165-A170 PolarHBondContact O-N 3.36Å; P165-P173 HydrophobicContact CG-CB 3.71Å
166G97.6Very high97.5Very high47 Ų4753.5 Ų53.549%0.48529%0.294SS..G310 helixtrans-60.6-25.9174.700000113.6K164 W168 G169 A170K164-G166 PolarHBondContact O-N 2.89Å; K164-G166 VanDerWaalsContact O-N 3.14Å; G166-W168 VanDerWaalsContact C-N 3.32Å; G166-W168 PolarHBondContact O-N 2.84Å; G166-G169 PolarHBondContact O-N 3.31Å; G166-G169 VanDerWaalsContact O-N 3.08Å; G166-A170 WeakPolarHBondContact CA-O 3.37Å; G166-A170 PolarHBondContact N-O 3.44Å
167D98Very high97.5Very high69 Ų6952.6 Ų52.637%0.36929%0.29SS..G310 helixtrans-72.1-25.8-177.1-58.5-15.7000112.1Y162 R163 K164 P165Y162-D167 HydrophobicContact CD1-CB 3.84Å; Y162-D167 HydrophobicContact CG-CB 4.45Å; R163-D167 WeakPolarHBondContact CA-OD2 3.5Å; R163-D167 PolarHBondContact N-OD2 2.72Å; K164-D167 VanDerWaalsContact CE-OD1 3.32Å; K164-D167 WeakPolarHBondContact CE-OD1 3.48Å; K164-D167 WeakPolarHBondContact CG-OD1 3.33Å; K164-D167 PolarHBondContact N-OD2 2.82Å; K164-D167 VanDerWaalsContact N-OD2 3.1Å; K164-D167 WeakPolarHBondContact O-CB 3.29Å; K164-D167 PolarHBondContact O-N 3.43Å; P165-D167 PolarHBondContact O-N 2.81Å
168W97.2Very high97.6Very high6 Ų652.6 Ų52.62%0.02329%0.29CS..G310 helixtrans-10011.6170.159.777.3000113Q64 V132 F144 Y155 L157 Y162 P165 G166 A170Q64-W168 PolarHBondContact NE2-O 3.5Å; V132-W168 HydrophobicContact CG1-CH2 4.17Å; V132-W168 WeakPolarHBondContact O-CZ2 3.22Å; F144-W168 HydrophobicContact CD2-CD2 4.43Å; F144-W168 HydrophobicContact CE2-CD2 4.4Å; F144-W168 HydrophobicContact CE2-CZ2 4.48Å; Y155-W168 AromaticContact CG-CD1 3.73Å; L157-W168 HydrophobicContact CD2-CB 4.06Å; L157-W168 HydrophobicContact CD2-CE3 4.37Å; L157-W168 HydrophobicContact CD2-CG 4.44Å; L157-W168 HydrophobicContact CG-CB 4.17Å; Y162-W168 HydrophobicContact CD1-CB 3.96Å; Y162-W168 HydrophobicContact CD1-CE3 4.17Å; Y162-W168 HydrophobicContact CE1-CB 4.14Å; Y162-W168 HydrophobicContact CG-CE3 4.08Å; P165-W168 VanDerWaalsContact CA-CE2 3.42Å; P165-W168 HydrophobicContact CB-CH2 4.23Å; P165-W168 HydrophobicContact CB-CZ2 3.61Å; P165-W168 HydrophobicContact CG-CH2 4.11Å; P165-W168 HydrophobicContact CG-CZ2 3.82Å; P165-W168 PolarHBondContact O-N 3.12Å; G166-W168 VanDerWaalsContact C-N 3.32Å; G166-W168 PolarHBondContact O-N 2.84Å; W168-A170 VanDerWaalsContact NE1-CB 3.26Å
169G95.5Very high97.6Very high46 Ų4652.5 Ų52.547%0.47429%0.286SS..THydrogen-bonded Turntrans81.716.2176.100000115.2P165 G166P165-G169 PolarHBondContact O-N 3.43Å; G166-G169 PolarHBondContact O-N 3.31Å; G166-G169 VanDerWaalsContact O-N 3.08Å
170A96.2Very high97.7Very high8 Ų849.5 Ų49.57%0.06627%0.271CS..  trans-89.1148.3173.300000112.2Y155 P165 G166 W168 S172Y155-A170 HydrophobicContact CD1-CB 3.98Å; Y155-A170 HydrophobicContact CE1-CB 3.51Å; Y155-A170 HydrophobicContact CE2-CB 4.19Å; P165-A170 CarbonylContact C-O 3.57Å; P165-A170 HydrophobicContact CB-CB 4.07Å; P165-A170 PolarHBondContact O-N 3.36Å; G166-A170 WeakPolarHBondContact CA-O 3.37Å; G166-A170 PolarHBondContact N-O 3.44Å; W168-A170 VanDerWaalsContact NE1-CB 3.26Å; A170-S172 WeakPolarHBondContact CB-O 3.47Å
171V94.1Very high97.6Very high129 Ų12948.3 Ų48.378%0.78226%0.258SS*.SBendtrans-93-10173.9-63.50000113.1
172S95.9Very high97.3Very high39 Ų3946.9 Ų46.927%0.27326%0.256SS..SBendtrans-143.7160.2177.971.60000109.6A170 L174A170-S172 WeakPolarHBondContact CB-O 3.47Å; S172-L174 PolarHBondContact O-N 2.67Å
173P97.4Very high96.3Very high26 Ų2652.5 Ų52.517%0.16928%0.283CS..  trans-78.710.8178.534.9-38.3000113.5E131 V132 N133 P165 V175E131-P173 WeakPolarHBondContact CA-O 3.42Å; E131-P173 HydrophobicContact CB-CB 4.11Å; E131-P173 HydrophobicContact CB-CG 4.24Å; E131-P173 HydrophobicContact CG-CB 4.41Å; E131-P173 HydrophobicContact CG-CG 4.04Å; V132-P173 PolarHBondContact N-O 3.21Å; V132-P173 WeakPolarHBondContact O-CB 3.41Å; N133-P173 VanDerWaalsContact OD1-CB 3.24Å; N133-P173 WeakPolarHBondContact OD1-CB 3.5Å; P165-P173 HydrophobicContact CG-CB 3.71Å; P173-V175 PolarHBondContact O-N 3.14Å
174L97.6Very high96.1Very high62 Ų6249.8 Ų49.833%0.32528%0.277SS..  trans-72.2104.2-174.7-175.163.4000110.6E146 S172 Q176E146-L174 HydrophobicContact CG-CD2 3.7Å; E146-L174 HydrophobicContact CG-CG 4.1Å; S172-L174 PolarHBondContact O-N 2.67Å; L174-Q176 HydrophobicContact CD1-CG 3.92Å
175V98.3Very high96Very high0 Ų046.1 Ų46.10%026%0.264CS..  trans-131124.7170.9177.70000106.6L123 V132 F144 P173L123-V175 HydrophobicContact CD1-CG1 4.48Å; V132-V175 HydrophobicContact CB-CB 4.14Å; V132-V175 HydrophobicContact CB-CG2 4.25Å; V132-V175 HydrophobicContact CG2-CB 3.96Å; V132-V175 HydrophobicContact CG2-CG1 4.23Å; F144-V175 HydrophobicContact CB-CG1 3.85Å; F144-V175 HydrophobicContact CB-CG2 4.13Å; F144-V175 HydrophobicContact CD1-CG1 4.1Å; F144-V175 HydrophobicContact CD2-CB 4.49Å; F144-V175 HydrophobicContact CD2-CG1 4.03Å; F144-V175 HydrophobicContact CD2-CG2 3.68Å; F144-V175 HydrophobicContact CE2-CG2 4.38Å; F144-V175 HydrophobicContact CG-CG1 3.73Å; F144-V175 HydrophobicContact CG-CG2 4.11Å; P173-V175 PolarHBondContact O-N 3.14Å
176Q98.5Very high95.9Very high24 Ų2447.6 Ų47.611%0.11227%0.272CS..  trans-121.9-17.1-174.9-74.4-67.4-73.600113.2S122 L123 R130 Y145 E146 R147 P148 L174S122-Q176 CarbonylContact C-O 3.52Å; S122-Q176 WeakPolarHBondContact CA-O 3.44Å; L123-Q176 PolarHBondContact N-O 3.38Å; R130-Q176 VanDerWaalsContact C-NE2 3.32Å; R130-Q176 VanDerWaalsContact CA-NE2 3.3Å; R130-Q176 PolarHBondContact O-NE2 3.41Å; Y145-Q176 PolarHBondContact O-N 2.79Å; E146-Q176 WeakPolarHBondContact O-CB 3.41Å; E146-Q176 VanDerWaalsContact O-CG 3.26Å; E146-Q176 WeakPolarHBondContact O-CG 3.37Å; R147-Q176 VanDerWaalsContact C-CB 3.43Å; P148-Q176 HydrophobicContact CG-CB 4.05Å; L174-Q176 HydrophobicContact CD1-CG 3.92Å
177S98.8Very high95.8Very high0 Ų047.6 Ų47.60%026%0.26CS..EExtended strand (participates in β ladder)trans-150.5161.3168.562.60000110.7C120 P121 Y145 R147 Y150C120-S177 CarbonylContact O-C 3.55Å; C120-S177 WeakPolarHBondContact O-CA 3.49Å; C120-S177 WeakPolarHBondContact O-CB 3.47Å; P121-S177 VanDerWaalsContact O-CB 3.27Å; P121-S177 WeakPolarHBondContact O-CB 3.14Å; Y145-S177 VanDerWaalsContact CB-OG 3.31Å; Y145-S177 WeakPolarHBondContact CB-OG 3.22Å; Y145-S177 PolarHBondContact N-O 3.33Å; Y145-S177 PolarHBondContact O-N 3.29Å; R147-S177 PolarHBondContact O-OG 3.27Å; Y150-S177 WeakPolarHBondContact CA-OG 3.33Å; Y150-S177 PolarHBondContact N-OG 3.44Å
178F98.8Very high95.6Very high0 Ų046.3 Ų46.30%025%0.253CS..EExtended strand (participates in β ladder)trans-150.2154.1174.159.1-103.2000111M101 L103 A116 E118 C120 L123 F127 W142 V143 F144 Y150M101-F178 HydrophobicContact CE-CB 4.15Å; M101-F178 HydrophobicContact CE-CD1 3.96Å; M101-F178 HydrophobicContact CE-CD2 3.11Å; M101-F178 HydrophobicContact CE-CE1 4.11Å; M101-F178 HydrophobicContact CE-CE2 3.27Å; M101-F178 HydrophobicContact CE-CG 3.48Å; M101-F178 VanDerWaalsContact CE-CG 3.48Å; M101-F178 HydrophobicContact CE-CZ 3.77Å; L103-F178 HydrophobicContact CD1-CD1 4.04Å; L103-F178 HydrophobicContact CD1-CE1 3.45Å; L103-F178 VanDerWaalsContact CD1-CE1 3.45Å; L103-F178 HydrophobicContact CD1-CZ 4.06Å; A116-F178 HydrophobicContact CB-CE2 3.66Å; A116-F178 HydrophobicContact CB-CZ 3.58Å; E118-F178 WeakPolarHBondContact O-CE2 3.46Å; C120-F178 HydrophobicContact CB-CD1 3.87Å; C120-F178 HydrophobicContact CB-CD2 3.83Å; C120-F178 HydrophobicContact CB-CE1 3.43Å; C120-F178 VanDerWaalsContact CB-CE1 3.43Å; C120-F178 HydrophobicContact CB-CE2 3.41Å; C120-F178 VanDerWaalsContact CB-CE2 3.41Å; C120-F178 HydrophobicContact CB-CG 4.06Å; C120-F178 HydrophobicContact CB-CZ 3.2Å; C120-F178 PolarHBondContact N-O 3.25Å; C120-F178 PolarHBondContact O-N 2.87Å; L123-F178 HydrophobicContact CD1-CD1 3.46Å; L123-F178 VanDerWaalsContact CD1-CD1 3.46Å; L123-F178 HydrophobicContact CD1-CE1 3.51Å; F127-F178 HydrophobicContact CE2-CE1 4.09Å; F127-F178 HydrophobicContact CE2-CZ 4.03Å; W142-F178 AromaticContact CE3-CD2 3.97Å; W142-F178 HydrophobicContact CE3-CD2 3.97Å; W142-F178 AromaticContact CZ3-CD2 3.77Å; W142-F178 HydrophobicContact CZ3-CD2 3.77Å; W142-F178 AromaticContact CZ3-CE2 3.93Å; W142-F178 HydrophobicContact CZ3-CE2 3.93Å; V143-F178 CarbonylContact O-C 3.5Å; V143-F178 WeakPolarHBondContact O-CA 3.33Å; V143-F178 WeakPolarHBondContact O-CB 3.3Å; F144-F178 HydrophobicContact CD1-CB 3.54Å; F144-F178 HydrophobicContact CD1-CG 4.4Å; F144-F178 HydrophobicContact CE1-CB 3.97Å; F144-F178 HydrophobicContact CE1-CG 4.38Å; Y150-F178 WeakPolarHBondContact CE1-O 3.29Å
179R98.5Very high95.5Very high86 Ų8649 Ų4933%0.32527%0.268SS..EExtended strand (participates in β ladder)trans-144.1158.9173.173.7-165.8176.7136.71.6111.3D119 W142 V143 Y145 Y150D119-R179 HydrophobicContact CB-CB 4Å; D119-R179 WeakPolarHBondContact OD1-CA 3.36Å; W142-R179 WeakPolarHBondContact CA-O 3.46Å; V143-R179 PolarHBondContact N-O 2.88Å; V143-R179 PolarHBondContact O-N 2.68Å; Y145-R179 HydrophobicContact CE2-CG 3.94Å; Y145-R179 PolarHBondContact OH-NE 2.87Å; Y145-R179 PolarHBondContact OH-NH2 3.24Å; Y145-R179 VanDerWaalsContact OH-NH2 3.11Å; Y150-R179 HydrophobicContact CD1-CB 4.12Å; Y150-R179 HydrophobicContact CD1-CG 4.43Å; Y150-R179 HydrophobicContact CE1-CB 3.88Å
180R97.9Very high95.5Very high87 Ų8749.2 Ų49.233%0.32825%0.254SS..EExtended strand (participates in β ladder)trans-65136.2167.8-61.7168.9-69.6-179.25.1108.5Y99 D119 W142 T182Y99-R180 HydrophobicContact CD1-CB 3.53Å; Y99-R180 HydrophobicContact CD1-CG 3.39Å; Y99-R180 HydrophobicContact CE1-CB 3.69Å; Y99-R180 HydrophobicContact CE1-CG 4.11Å; Y99-R180 HydrophobicContact CG-CB 4.14Å; Y99-R180 HydrophobicContact CG-CG 3.68Å; D119-R180 WeakPolarHBondContact OD1-CB 3.45Å; D119-R180 WeakPolarHBondContact OD1-CG 3.48Å; D119-R180 IonicContact OD1-CZ 3.49Å; D119-R180 PolarHBondContact OD1-N 2.87Å; D119-R180 IonicContact OD1-NE 3.77Å; D119-R180 PolarHBondContact OD1-NE 3.16Å; D119-R180 IonicContact OD1-NH2 2.67Å; D119-R180 IonicContact OD2-CZ 2.76Å; D119-R180 IonicContact OD2-NE 3.64Å; D119-R180 IonicContact OD2-NH2 2.81Å; D119-R180 PolarHBondContact OD2-NH2 2.78Å; W142-R180 HydrophobicContact CD2-CG 4.39Å; W142-R180 HydrophobicContact CE3-CG 3.94Å; W142-R180 HydrophobicContact CH2-CG 3.64Å; W142-R180 HydrophobicContact CZ2-CG 4.09Å; W142-R180 HydrophobicContact CZ3-CG 3.54Å; R180-T182 HydrophobicContact CB-CG2 4.47Å
181F97.1Very high95.5Very high5 Ų552.4 Ų52.42%0.02227%0.268CS..  trans-95.9118.2170.6-168.6-122.7000108.7A51 V66 T68 V91 F93 Y99 W141 V143 F156A51-F181 HydrophobicContact CB-CE1 3.66Å; A51-F181 HydrophobicContact CB-CZ 3.75Å; V66-F181 HydrophobicContact CB-CD2 4.05Å; V66-F181 HydrophobicContact CB-CE1 4.5Å; V66-F181 HydrophobicContact CB-CE2 3.58Å; V66-F181 HydrophobicContact CB-CZ 3.82Å; V66-F181 HydrophobicContact CG1-CE2 4.5Å; V66-F181 HydrophobicContact CG2-CD2 4Å; V66-F181 HydrophobicContact CG2-CE2 3.76Å; V66-F181 HydrophobicContact CG2-CZ 4.49Å; T68-F181 HydrophobicContact CG2-CE2 3.68Å; T68-F181 HydrophobicContact CG2-CZ 3.84Å; V91-F181 HydrophobicContact CB-CE1 4.21Å; V91-F181 HydrophobicContact CG1-CD1 4.23Å; V91-F181 HydrophobicContact CG1-CE1 4.18Å; V91-F181 HydrophobicContact CG2-CE1 3.94Å; F93-F181 AromaticContact CE1-CD1 3.97Å; F93-F181 HydrophobicContact CE1-CD1 3.97Å; F93-F181 WeakPolarHBondContact CE1-O 3.33Å; F93-F181 HydrophobicContact CE2-CE1 4.46Å; F93-F181 AromaticContact CZ-CD1 3.52Å; F93-F181 HydrophobicContact CZ-CD1 3.52Å; F93-F181 AromaticContact CZ-CE1 3.69Å; F93-F181 HydrophobicContact CZ-CE1 3.69Å; F93-F181 HydrophobicContact CZ-CG 4.3Å; Y99-F181 PolarHBondContact OH-O 3Å; W141-F181 HydrophobicContact CB-CB 3.96Å; W141-F181 HydrophobicContact CB-CD1 4.49Å; W141-F181 PolarHBondContact O-N 2.71Å; V143-F181 HydrophobicContact CG2-CB 3.83Å; V143-F181 HydrophobicContact CG2-CD2 4.11Å; V143-F181 HydrophobicContact CG2-CG 4.17Å; F156-F181 HydrophobicContact CD2-CD1 4.46Å; F156-F181 HydrophobicContact CE2-CB 4.36Å; F156-F181 AromaticContact CE2-CD1 3.62Å; F156-F181 HydrophobicContact CE2-CD1 3.62Å; F156-F181 HydrophobicContact CE2-CE1 4.25Å; F156-F181 HydrophobicContact CE2-CG 4.22Å; F156-F181 HydrophobicContact CZ-CD1 4.42Å
182T91.6Very high95.6Very high74 Ų7446 Ų4645%0.45423%0.225SC..  trans-128.6157.6179.2650000108.6T68 Y99 R180T68-T182 WeakPolarHBondContact CG2-O 3.46Å; Y99-T182 HydrophobicContact CE1-CG2 4.47Å; Y99-T182 HydrophobicContact CE2-CG2 4.34Å; R180-T182 HydrophobicContact CB-CG2 4.47Å
183E76.8Confident95.6Very high149 Ų14946.6 Ų46.670%0.69622%0.221SC*.  trans-69.20167.1-162.4171.6-171.900111.7F93F93-E183 HydrophobicContact CD2-CB 3.82Å; F93-E183 HydrophobicContact CE2-CB 3.68Å

Retrieved 183 of 183 residues in 62.7 ms (Link to these results)

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