A0A087XZU3_POEFO Loading...

exo-alpha-sialidase

AlphaFold DB , UniProt , Accession A0A087XZU3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 474 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
1M47.9Very low83.9Confident247 Ų247108.6 Ų108.6100%1.21756%0.56SS**  0131.20-72.1168.1174.400107.2
2R58.5Low85.1Confident250 Ų250100.3 Ų100.394%0.94352%0.517SS*.PPolyproline II helixtrans-71.6138.6173.2-75-178.2176.5179.8-2.5107.9
3S68.1Low86.1Confident105 Ų10593 Ų9373%0.73448%0.479SS*.PPolyproline II helixtrans-56.2144.2171-174.90000109.6Y5S3-Y5 PolarHBondContact O-N 2.87Å
4P81.5Confident86.9Confident84 Ų8494.2 Ų94.255%0.54548%0.481SS..PPolyproline II helixtrans-57.4136.3171.524.5-33000109.6F6P4-F6 HydrophobicContact CB-CE2 3.98Å; P4-F6 HydrophobicContact CB-CZ 3.84Å; P4-F6 HydrophobicContact CG-CE2 3.93Å; P4-F6 HydrophobicContact CG-CZ 4.05Å
5Y91.7Very high87.6Confident95 Ų9592.9 Ų92.937%0.37347%0.471SS..PPolyproline II helixtrans-99128.1175.9169.4-95.8000109S3 W359 E412 N416S3-Y5 PolarHBondContact O-N 2.87Å; Y5-W359 HydrophobicContact CD1-CH2 4.48Å; Y5-W359 AromaticContact CD1-CZ2 3.61Å; Y5-W359 HydrophobicContact CD1-CZ2 3.61Å; Y5-W359 HydrophobicContact CE1-CH2 4.02Å; Y5-W359 AromaticContact CE1-CZ2 3.53Å; Y5-W359 HydrophobicContact CE1-CZ2 3.53Å; Y5-W359 PolarHBondContact O-NE1 3.4Å; Y5-E412 HydrophobicContact CE1-CG 4.32Å; Y5-E412 PolarHBondContact OH-OE1 3.48Å; Y5-N416 WeakPolarHBondContact CD1-ND2 3.29Å
6F94.6Very high88.1Confident77 Ų7791.1 Ų91.134%0.33846%0.46SS..  trans-119.4141.3175.9-56.8-70.8000109.1P4 V360 E363P4-F6 HydrophobicContact CB-CE2 3.98Å; P4-F6 HydrophobicContact CB-CZ 3.84Å; P4-F6 HydrophobicContact CG-CE2 3.93Å; P4-F6 HydrophobicContact CG-CZ 4.05Å; F6-V360 WeakPolarHBondContact CD1-O 3.36Å; F6-V360 HydrophobicContact CE1-CG1 4.22Å; F6-V360 WeakPolarHBondContact CE1-O 3.36Å; F6-E363 HydrophobicContact CE1-CB 4.35Å; F6-E363 HydrophobicContact CZ-CB 4.06Å
7P94.9Very high88.5Confident7 Ų794.2 Ų94.25%0.04549%0.488CS..  trans-65.3156.9174.629.6-33.3000110.8W359 I361 F408P7-W359 HydrophobicContact CB-CH2 4.39Å; P7-W359 HydrophobicContact CG-CH2 4.33Å; P7-W359 HydrophobicContact CG-CZ2 4.37Å; P7-I361 HydrophobicContact CG-CB 3.88Å; P7-I361 HydrophobicContact CG-CG2 4.03Å; P7-F408 HydrophobicContact CB-CB 4.14Å; P7-F408 HydrophobicContact CG-CD1 4.36Å
8A94.9Very high88.8Confident83 Ų8395.1 Ų95.169%0.68649%0.494SS*.  trans-59.8145.4173.100000110.3S406A8-S406 WeakPolarHBondContact O-CA 3.38Å; A8-S406 WeakPolarHBondContact O-CB 3.36Å; A8-S406 PolarHBondContact O-OG 3.43Å
9R95.5Very high89Confident120 Ų12091.3 Ų91.345%0.45348%0.48SS..EExtended strand (participates in β ladder)trans-133147-179.269.5-178.3178.8125.2-0.3112.4E402 F405 S406R9-E402 IonicContact NH1-OE2 3.68Å; R9-F405 CarbonylContact C-O 3.57Å; R9-F405 VanDerWaalsContact CA-O 3.28Å; R9-F405 WeakPolarHBondContact CA-O 3.43Å; R9-S406 WeakPolarHBondContact CB-OG 3.39Å
10S96.9Very high89.3Confident58 Ų5887.6 Ų87.641%0.40646%0.461SS..EExtended strand (participates in β ladder)trans-122.6128.9172.4-57.90000109.1L12 C404 F405S10-L12 PolarHBondContact O-N 3.18Å; S10-C404 CarbonylContact O-C 3Å; S10-C404 WeakPolarHBondContact O-CA 3.35Å; S10-F405 PolarHBondContact N-O 3.26Å; S10-F405 PolarHBondContact O-N 2.89Å
11V98.1Very high89.7Confident69 Ų6983.4 Ų83.442%0.41844%0.439SS..EExtended strand (participates in β ladder)trans-76.5119.9171.8-178.60000107.8H14 E402V11-H14 HydrophobicContact CG1-CB 4.12Å; V11-E402 HydrophobicContact CG1-CB 4.14Å; V11-E402 HydrophobicContact CG1-CG 4Å
12L98.4Very high92.1Very high9 Ų972.1 Ų72.15%0.04738%0.383CS..EExtended strand (participates in β ladder)trans-98.8-36.7-179.5-61-162.7000112.4S10 A38 R57 W68 L391 I403 F405S10-L12 PolarHBondContact O-N 3.18Å; L12-A38 HydrophobicContact CD1-CB 3.91Å; L12-R57 PolarHBondContact O-NE 2.59Å; L12-W68 HydrophobicContact CD1-CD2 3.92Å; L12-W68 HydrophobicContact CD1-CE3 4.07Å; L12-W68 HydrophobicContact CD1-CH2 3.65Å; L12-W68 HydrophobicContact CD1-CZ2 3.49Å; L12-W68 VanDerWaalsContact CD1-CZ2 3.49Å; L12-W68 HydrophobicContact CD1-CZ3 3.95Å; L12-W68 HydrophobicContact CD2-CD2 3.82Å; L12-W68 HydrophobicContact CD2-CG 3.77Å; L12-W68 HydrophobicContact CD2-CZ2 4.35Å; L12-L391 HydrophobicContact CD1-CD1 3.73Å; L12-L391 HydrophobicContact CG-CD1 4.43Å; L12-I403 PolarHBondContact N-O 2.75Å; L12-F405 HydrophobicContact CD1-CB 3.67Å; L12-F405 HydrophobicContact CD1-CG 4.28Å; L12-F405 HydrophobicContact CD2-CB 4.2Å; L12-F405 HydrophobicContact CG-CB 3.75Å
13F98.4Very high94Very high5 Ų560.7 Ų60.72%0.02234%0.34CS..EExtended strand (participates in β ladder)trans-132.8132.7178.2-51.8-89.9000108.3Y22 A38 C40 V55 R57 M71 E402 I403F13-Y22 HydrophobicContact CB-CD1 4.35Å; F13-Y22 HydrophobicContact CB-CD2 3.92Å; F13-Y22 HydrophobicContact CB-CG 3.68Å; F13-Y22 HydrophobicContact CD1-CD1 4.06Å; F13-Y22 HydrophobicContact CD1-CE1 4.47Å; F13-Y22 HydrophobicContact CD1-CG 4.25Å; F13-Y22 HydrophobicContact CG-CG 4.31Å; F13-A38 HydrophobicContact CE2-CB 4.34Å; F13-C40 VanDerWaalsContact CD1-SG 3.6Å; F13-V55 HydrophobicContact CD1-CG2 4.24Å; F13-V55 HydrophobicContact CE1-CG2 3.82Å; F13-R57 HydrophobicContact CE1-CG 4.03Å; F13-R57 HydrophobicContact CZ-CB 4.23Å; F13-R57 HydrophobicContact CZ-CG 3.88Å; F13-M71 HydrophobicContact CD1-CG 4.44Å; F13-M71 HydrophobicContact CD1-SD 3.79Å; F13-M71 HydrophobicContact CE1-CG 3.95Å; F13-M71 HydrophobicContact CE1-SD 3.86Å; F13-E402 CarbonylContact O-C 3.59Å; F13-E402 VanDerWaalsContact O-CA 3.3Å; F13-E402 WeakPolarHBondContact O-CA 3.36Å; F13-I403 HydrophobicContact CB-CB 4.14Å; F13-I403 HydrophobicContact CD2-CB 3.94Å; F13-I403 HydrophobicContact CD2-CD1 4.32Å; F13-I403 HydrophobicContact CD2-CG2 4.1Å; F13-I403 PolarHBondContact N-O 3.26Å; F13-I403 PolarHBondContact O-N 2.72Å
14H97.5Very high95.5Very high110 Ų11055.9 Ų55.951%0.50931%0.306SS..EExtended strand (participates in β ladder)trans-129.7136.7-177180-78.5000108.6V11 E16 Y22 E402V11-H14 HydrophobicContact CG1-CB 4.12Å; H14-E16 PolarHBondContact O-N 2.93Å; H14-Y22 WeakPolarHBondContact O-CE2 3.34Å; H14-E402 IonicContact CD2-OE1 2.76Å
15K96.5Very high96.3Very high74 Ų7451.9 Ų51.932%0.32228%0.28SS..  trans-53.4131.2175.8172.7172-173.8176.90111.1V20 T21 D401K15-V20 WeakPolarHBondContact CA-O 3.18Å; K15-T21 HydrophobicContact CB-CG2 4.26Å; K15-T21 HydrophobicContact CD-CG2 3.7Å; K15-T21 HydrophobicContact CG-CG2 3.77Å; K15-D401 VanDerWaalsContact CB-O 3.27Å; K15-D401 WeakPolarHBondContact CB-O 3.34Å; K15-D401 PolarHBondContact N-O 3.09Å
16E96.3Very high96.7Very high64 Ų6447.3 Ų47.330%0.29926%0.262SS..  trans-83.6153.5-177.8-69-178.7-156.700112.2H14 N18 G19 V20 Y22H14-E16 PolarHBondContact O-N 2.93Å; E16-N18 WeakPolarHBondContact CB-OD1 3.46Å; E16-N18 PolarHBondContact O-N 3.21Å; E16-N18 PolarHBondContact OE2-ND2 3.24Å; E16-N18 PolarHBondContact OE2-OD1 3.39Å; E16-G19 PolarHBondContact O-N 3.33Å; E16-V20 HydrophobicContact CB-CB 4.09Å; E16-V20 HydrophobicContact CG-CB 4.33Å; E16-V20 PolarHBondContact N-O 3.25Å; E16-Y22 HydrophobicContact CG-CE2 4.32Å; E16-Y22 PolarHBondContact OE1-OH 3Å
17P94.3Very high96.9Very high144 Ų14443.7 Ų43.794%0.93525%0.246SC*.THydrogen-bonded Turntrans-58.9-26.7175.6-24.834.7000114.2G19P17-G19 PolarHBondContact O-N 3.42Å
18N93.9Very high97Very high111 Ų11144.3 Ų44.359%0.59425%0.249SC*.THydrogen-bonded Turntrans-76-5.6177.863.212.2000113.4E16 V20E16-N18 WeakPolarHBondContact CB-OD1 3.46Å; E16-N18 PolarHBondContact O-N 3.21Å; E16-N18 PolarHBondContact OE2-ND2 3.24Å; E16-N18 PolarHBondContact OE2-OD1 3.39Å; N18-V20 WeakPolarHBondContact OD1-CB 3.39Å; N18-V20 WeakPolarHBondContact OD1-CG2 3.36Å; N18-V20 PolarHBondContact OD1-N 3.32Å
19G92.5Very high97.2Very high23 Ų2342.2 Ų42.224%0.23722%0.224CC..SBendtrans101.7-10.1-179.900000115.3E16 P17 T21E16-G19 PolarHBondContact O-N 3.33Å; P17-G19 PolarHBondContact O-N 3.42Å; G19-T21 PolarHBondContact O-N 2.87Å
20V96.6Very high97.2Very high16 Ų1636.5 Ų36.510%0.09720%0.202CC..  trans-59.5132.7175.2172.30000109.7K15 E16 N18 Y22 E42 R43K15-V20 WeakPolarHBondContact CA-O 3.18Å; E16-V20 HydrophobicContact CB-CB 4.09Å; E16-V20 HydrophobicContact CG-CB 4.33Å; E16-V20 PolarHBondContact N-O 3.25Å; N18-V20 WeakPolarHBondContact OD1-CB 3.39Å; N18-V20 WeakPolarHBondContact OD1-CG2 3.36Å; N18-V20 PolarHBondContact OD1-N 3.32Å; V20-Y22 HydrophobicContact CG1-CE2 4.29Å; V20-E42 HydrophobicContact CG1-CG 3.74Å; V20-R43 CarbonylContact C-O 3.54Å; V20-R43 VanDerWaalsContact CA-O 3.27Å; V20-R43 WeakPolarHBondContact CA-O 3.3Å
21T97.3Very high96.9Very high0 Ų036.7 Ų36.70%020%0.203CC..EExtended strand (participates in β ladder)trans-127.1151.4179.9510000111.2K15 G19 R43 T45 P46K15-T21 HydrophobicContact CB-CG2 4.26Å; K15-T21 HydrophobicContact CD-CG2 3.7Å; K15-T21 HydrophobicContact CG-CG2 3.77Å; G19-T21 PolarHBondContact O-N 2.87Å; T21-R43 PolarHBondContact N-O 2.96Å; T21-R43 PolarHBondContact O-N 3.11Å; T21-T45 VanDerWaalsContact OG1-C 3.3Å; T21-T45 PolarHBondContact OG1-O 2.8Å; T21-P46 HydrophobicContact CG2-CG 3.93Å; T21-P46 WeakPolarHBondContact OG1-CA 3.41Å
22Y98.4Very high96.5Very high10 Ų1042 Ų424%0.03922%0.216CC..EExtended strand (participates in β ladder)trans-112.4127.1178.1-59.2-83.9000109.1F13 H14 E16 V20 E41 E42 V55 M71F13-Y22 HydrophobicContact CB-CD1 4.35Å; F13-Y22 HydrophobicContact CB-CD2 3.92Å; F13-Y22 HydrophobicContact CB-CG 3.68Å; F13-Y22 HydrophobicContact CD1-CD1 4.06Å; F13-Y22 HydrophobicContact CD1-CE1 4.47Å; F13-Y22 HydrophobicContact CD1-CG 4.25Å; F13-Y22 HydrophobicContact CG-CG 4.31Å; H14-Y22 WeakPolarHBondContact O-CE2 3.34Å; E16-Y22 HydrophobicContact CG-CE2 4.32Å; E16-Y22 PolarHBondContact OE1-OH 3Å; V20-Y22 HydrophobicContact CG1-CE2 4.29Å; Y22-E41 VanDerWaalsContact CA-O 3.26Å; Y22-E41 WeakPolarHBondContact CA-O 3.29Å; Y22-E42 HydrophobicContact CD1-CB 4.31Å; Y22-E42 HydrophobicContact CE1-CB 4.07Å; Y22-E42 HydrophobicContact CE1-CG 3.92Å; Y22-V55 HydrophobicContact CD1-CG2 3.89Å; Y22-V55 HydrophobicContact CE1-CG2 4Å; Y22-M71 HydrophobicContact CD1-SD 4.44Å; Y22-M71 HydrophobicContact CE1-CE 4.18Å; Y22-M71 HydrophobicContact CE1-SD 3.64Å; Y22-M71 WeakPolarHBondContact OH-CE 3.27Å
23R98.5Very high96.1Very high11 Ų1145.5 Ų45.54%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-143.2169.2-174.1-74.1-150.765.4-148.1-7.6112C40 E41 D48 E393 Y400R23-C40 WeakPolarHBondContact O-CB 3.49Å; R23-E41 PolarHBondContact N-O 3.05Å; R23-E41 WeakPolarHBondContact O-CB 3.48Å; R23-E41 PolarHBondContact O-N 3.15Å; R23-D48 IonicContact NH1-OD1 3.28Å; R23-E393 WeakPolarHBondContact CA-OE1 3.25Å; R23-E393 WeakPolarHBondContact CB-OE1 3.32Å; R23-E393 WeakPolarHBondContact CG-OE1 3.34Å; R23-E393 IonicContact CZ-OE1 3.21Å; R23-E393 IonicContact CZ-OE2 2.83Å; R23-E393 IonicContact NE-OE1 3.55Å; R23-E393 PolarHBondContact NE-OE1 3.13Å; R23-E393 IonicContact NE-OE2 3.4Å; R23-E393 IonicContact NH2-OE1 2.77Å; R23-E393 PolarHBondContact NH2-OE1 2.9Å; R23-E393 IonicContact NH2-OE2 3.53Å; R23-E393 PolarHBondContact NH2-OE2 3.07Å; R23-Y400 HydrophobicContact CG-CD1 4.49Å
24V98.6Very high95.8Very high3 Ų352.7 Ų52.72%0.01826%0.258CS..EExtended strand (participates in β ladder)trans61.568.7174.6-167.20000111.4E41 R43 P87 P161 E393V24-E41 HydrophobicContact CB-CG 4.09Å; V24-E41 HydrophobicContact CG2-CG 4.35Å; V24-E41 WeakPolarHBondContact CG2-OE1 3.4Å; V24-R43 VanDerWaalsContact CG2-NH2 3.33Å; V24-P87 WeakPolarHBondContact O-CG 3.38Å; V24-P161 HydrophobicContact CG1-CB 3.34Å; V24-P161 HydrophobicContact CG1-CG 3.64Å; V24-E393 PolarHBondContact N-OE1 2.89Å
25P98.8Very high95.7Very high0 Ų047.6 Ų47.60%024%0.235CC..EExtended strand (participates in β ladder)trans-67.1142.2-178.728.3-34.1000111.4F39 L391 E393 I403P25-F39 WeakPolarHBondContact CA-O 3.4Å; P25-L391 HydrophobicContact CB-CB 4.35Å; P25-L391 HydrophobicContact CB-CD2 3.61Å; P25-L391 HydrophobicContact CB-CG 3.72Å; P25-E393 HydrophobicContact CG-CG 4.19Å; P25-I403 HydrophobicContact CB-CD1 4.5Å; P25-I403 HydrophobicContact CB-CG2 4.16Å
26A98.9Very high95.8Very high0 Ų044.1 Ų44.10%022%0.219CC..EExtended strand (participates in β ladder)trans-134.8137.1163.100000110.2F39 P87 P89 D370A26-F39 HydrophobicContact CB-CB 4.26Å; A26-F39 PolarHBondContact N-O 3.33Å; A26-F39 PolarHBondContact O-N 2.96Å; A26-P87 HydrophobicContact CB-CB 4.16Å; A26-P87 HydrophobicContact CB-CG 4.08Å; A26-P87 VanDerWaalsContact CB-O 3.29Å; A26-P87 WeakPolarHBondContact CB-O 3.44Å; A26-P89 HydrophobicContact CB-CG 4.09Å; A26-D370 VanDerWaalsContact CA-OD2 3.28Å; A26-D370 WeakPolarHBondContact CA-OD2 3.34Å
27L98.9Very high95.9Very high1 Ų141 Ų411%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-128.1131.1-173.2-175.567.6000109.6F36 L37 A38 D370 A372 A389 L391 F405L27-F36 HydrophobicContact CD1-CB 4.31Å; L27-F36 HydrophobicContact CD1-CD1 3.9Å; L27-F36 HydrophobicContact CD2-CD1 4.4Å; L27-F36 HydrophobicContact CG-CD1 4.27Å; L27-L37 WeakPolarHBondContact CA-O 3.49Å; L27-A38 HydrophobicContact CD1-CB 4.24Å; L27-D370 HydrophobicContact CB-CB 4.16Å; L27-D370 PolarHBondContact N-OD2 2.96Å; L27-A372 HydrophobicContact CD2-CB 3.84Å; L27-A372 HydrophobicContact CG-CB 4.16Å; L27-A389 HydrophobicContact CD2-CB 3.87Å; L27-L391 HydrophobicContact CB-CB 3.94Å; L27-L391 HydrophobicContact CB-CD2 4.24Å; L27-L391 HydrophobicContact CD1-CB 4.37Å; L27-L391 HydrophobicContact CD1-CD2 4.47Å; L27-L391 HydrophobicContact CD2-CB 4.11Å; L27-L391 HydrophobicContact CG-CB 4.36Å; L27-F405 HydrophobicContact CD1-CD2 4.44Å; L27-F405 HydrophobicContact CD1-CE2 4.26Å; L27-F405 HydrophobicContact CD2-CD2 4.49Å; L27-F405 HydrophobicContact CD2-CE2 4.18Å
28L98.4Very high96.2Very high20 Ų2034.2 Ų34.211%0.10516%0.161CC..EExtended strand (participates in β ladder)trans-131.3130.5172.4-170.471.1000110.3L30 F36 L37 P89 L98L28-L30 HydrophobicContact CD2-CD2 3.68Å; L28-L30 HydrophobicContact CG-CD2 4.08Å; L28-F36 CarbonylContact O-C 3.59Å; L28-F36 WeakPolarHBondContact O-CA 3.18Å; L28-L37 PolarHBondContact N-O 3.37Å; L28-L37 PolarHBondContact O-N 3.39Å; L28-P89 HydrophobicContact CB-CB 4.2Å; L28-P89 HydrophobicContact CB-CG 4.03Å; L28-P89 HydrophobicContact CD2-CB 4.1Å; L28-L98 HydrophobicContact CD2-CD1 3.31Å
29Y97.8Very high96.4Very high39 Ų3928.9 Ų28.915%0.15313%0.132CC..EExtended strand (participates in β ladder)trans-99.7123.9171.1-178.6-116.4000110.2F36 F61 L374Y29-F36 AromaticContact CD2-CD1 3.78Å; Y29-F36 HydrophobicContact CD2-CD1 3.78Å; Y29-F36 AromaticContact CD2-CD2 3.98Å; Y29-F36 HydrophobicContact CD2-CD2 3.98Å; Y29-F36 AromaticContact CD2-CE1 3.55Å; Y29-F36 HydrophobicContact CD2-CE1 3.55Å; Y29-F36 AromaticContact CD2-CE2 3.75Å; Y29-F36 HydrophobicContact CD2-CE2 3.75Å; Y29-F36 HydrophobicContact CD2-CG 4Å; Y29-F36 AromaticContact CD2-CZ 3.54Å; Y29-F36 HydrophobicContact CD2-CZ 3.54Å; Y29-F36 HydrophobicContact CE2-CD2 4.36Å; Y29-F36 HydrophobicContact CE2-CE1 4.5Å; Y29-F36 AromaticContact CE2-CE2 3.98Å; Y29-F36 HydrophobicContact CE2-CE2 3.98Å; Y29-F36 HydrophobicContact CE2-CZ 4.06Å; Y29-F36 HydrophobicContact CG-CD1 4.28Å; Y29-F36 AromaticContact CG-CE1 3.88Å; Y29-F36 HydrophobicContact CG-CE1 3.88Å; Y29-F36 HydrophobicContact CG-CZ 4.15Å; Y29-F61 HydrophobicContact CE2-CB 4.21Å; Y29-F61 HydrophobicContact CE2-CD1 4.28Å; Y29-F61 HydrophobicContact CE2-CG 4.48Å; Y29-L374 HydrophobicContact CD1-CB 3.74Å; Y29-L374 HydrophobicContact CE1-CB 3.65Å; Y29-L374 HydrophobicContact CG-CB 4.38Å
30L95.9Very high96.7Very high0 Ų027.8 Ų27.80%012%0.121CC..EExtended strand (participates in β ladder)trans-102.696176.6-58.1-179.1000109.5L28 R32 F33 R34 S35 L37 Y91L28-L30 HydrophobicContact CD2-CD2 3.68Å; L28-L30 HydrophobicContact CG-CD2 4.08Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 3.32Å; L30-F33 HydrophobicContact CB-CB 4.24Å; L30-F33 HydrophobicContact CB-CD2 3.93Å; L30-F33 HydrophobicContact CD1-CD2 4Å; L30-F33 CarbonylContact O-C 3.55Å; L30-F33 PolarHBondContact O-N 2.69Å; L30-F33 VanDerWaalsContact O-N 3.08Å; L30-R34 WeakPolarHBondContact O-CA 3.28Å; L30-R34 PolarHBondContact O-N 2.62Å; L30-S35 PolarHBondContact N-O 2.58Å; L30-S35 PolarHBondContact O-N 3.29Å; L30-L37 HydrophobicContact CD1-CD1 3.82Å; L30-L37 HydrophobicContact CD1-CG 4.28Å; L30-L37 HydrophobicContact CG-CD1 4.46Å; L30-Y91 HydrophobicContact CD2-CD1 3.92Å; L30-Y91 HydrophobicContact CD2-CD2 3.73Å; L30-Y91 HydrophobicContact CD2-CE1 4.46Å; L30-Y91 HydrophobicContact CD2-CE2 4.29Å; L30-Y91 HydrophobicContact CD2-CG 3.52Å
31S91.5Very high96.8Very high61 Ų6127 Ų2743%0.42712%0.116SC..G310 helixtrans-53.5-45-177.262.30000112.7F33 R34S31-F33 VanDerWaalsContact C-N 3.28Å; S31-F33 PolarHBondContact O-N 3.08Å; S31-R34 PolarHBondContact O-N 2.95Å; S31-R34 VanDerWaalsContact O-N 3.14Å
32R89.3Confident96.8Very high182 Ų18228.4 Ų28.469%0.68712%0.123SC*.G310 helixtrans-56.6-38.3178-178.2176.4180173.7-0.6113.2L30L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 3.32Å
33F89.8Confident96.8Very high81 Ų8128.1 Ų28.136%0.35512%0.122SC..G310 helixtrans-97.5-7.3-177.8-61.7-84.9000112.5L30 S31 S35 Y91L30-F33 HydrophobicContact CB-CB 4.24Å; L30-F33 HydrophobicContact CB-CD2 3.93Å; L30-F33 HydrophobicContact CD1-CD2 4Å; L30-F33 CarbonylContact O-C 3.55Å; L30-F33 PolarHBondContact O-N 2.69Å; L30-F33 VanDerWaalsContact O-N 3.08Å; S31-F33 VanDerWaalsContact C-N 3.28Å; S31-F33 PolarHBondContact O-N 3.08Å; F33-S35 WeakPolarHBondContact CB-OG 3.38Å; F33-S35 PolarHBondContact O-N 2.81Å; F33-Y91 HydrophobicContact CE2-CE2 4.44Å
34R92.4Very high96.6Very high157 Ų15731.5 Ų31.559%0.59214%0.14SC*.THydrogen-bonded Turntrans47.944.9-170.3-60.3-177.3172.7-148.7-4.9111.5L30 S31 F61L30-R34 WeakPolarHBondContact O-CA 3.28Å; L30-R34 PolarHBondContact O-N 2.62Å; S31-R34 PolarHBondContact O-N 2.95Å; S31-R34 VanDerWaalsContact O-N 3.14Å; R34-F61 WeakPolarHBondContact O-CB 3.44Å; R34-F61 PolarHBondContact O-N 2.82Å
35S96Very high96.3Very high3 Ų334 Ų342%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-132.2143-175.562.90000112.4L30 F33 G59L30-S35 PolarHBondContact N-O 2.58Å; L30-S35 PolarHBondContact O-N 3.29Å; F33-S35 WeakPolarHBondContact CB-OG 3.38Å; F33-S35 PolarHBondContact O-N 2.81Å; S35-G59 CarbonylContact C-O 3.6Å; S35-G59 WeakPolarHBondContact CA-O 3.46Å; S35-G59 WeakPolarHBondContact CB-O 3.16Å
36F98.3Very high95.8Very high0 Ų036.3 Ų36.30%017%0.171CC..EExtended strand (participates in β ladder)trans-92.5142.9166.7-70.2-82.9000110.6L27 L28 Y29 K58 G59 F61 V66 W68 A372 L374 A389 F405L27-F36 HydrophobicContact CD1-CB 4.31Å; L27-F36 HydrophobicContact CD1-CD1 3.9Å; L27-F36 HydrophobicContact CD2-CD1 4.4Å; L27-F36 HydrophobicContact CG-CD1 4.27Å; L28-F36 CarbonylContact O-C 3.59Å; L28-F36 WeakPolarHBondContact O-CA 3.18Å; Y29-F36 AromaticContact CD2-CD1 3.78Å; Y29-F36 HydrophobicContact CD2-CD1 3.78Å; Y29-F36 AromaticContact CD2-CD2 3.98Å; Y29-F36 HydrophobicContact CD2-CD2 3.98Å; Y29-F36 AromaticContact CD2-CE1 3.55Å; Y29-F36 HydrophobicContact CD2-CE1 3.55Å; Y29-F36 AromaticContact CD2-CE2 3.75Å; Y29-F36 HydrophobicContact CD2-CE2 3.75Å; Y29-F36 HydrophobicContact CD2-CG 4Å; Y29-F36 AromaticContact CD2-CZ 3.54Å; Y29-F36 HydrophobicContact CD2-CZ 3.54Å; Y29-F36 HydrophobicContact CE2-CD2 4.36Å; Y29-F36 HydrophobicContact CE2-CE1 4.5Å; Y29-F36 AromaticContact CE2-CE2 3.98Å; Y29-F36 HydrophobicContact CE2-CE2 3.98Å; Y29-F36 HydrophobicContact CE2-CZ 4.06Å; Y29-F36 HydrophobicContact CG-CD1 4.28Å; Y29-F36 AromaticContact CG-CE1 3.88Å; Y29-F36 HydrophobicContact CG-CE1 3.88Å; Y29-F36 HydrophobicContact CG-CZ 4.15Å; F36-K58 CarbonylContact O-C 3.6Å; F36-K58 WeakPolarHBondContact O-CA 3.25Å; F36-G59 PolarHBondContact N-O 3.37Å; F36-G59 PolarHBondContact O-N 3.25Å; F36-F61 HydrophobicContact CD2-CB 4.16Å; F36-F61 HydrophobicContact CE2-CB 3.93Å; F36-F61 AromaticContact CE2-CD2 3.85Å; F36-F61 HydrophobicContact CE2-CD2 3.85Å; F36-F61 AromaticContact CE2-CG 3.9Å; F36-F61 HydrophobicContact CE2-CG 3.9Å; F36-V66 HydrophobicContact CD2-CG1 4.22Å; F36-V66 HydrophobicContact CD2-CG2 3.61Å; F36-V66 HydrophobicContact CE2-CG2 3.65Å; F36-W68 HydrophobicContact CB-CH2 3.59Å; F36-W68 HydrophobicContact CB-CZ2 4.29Å; F36-W68 HydrophobicContact CB-CZ3 4.15Å; F36-W68 HydrophobicContact CG-CH2 4.45Å; F36-A372 HydrophobicContact CE1-CB 4.25Å; F36-L374 HydrophobicContact CZ-CD1 4Å; F36-L374 HydrophobicContact CZ-CD2 4.19Å; F36-A389 HydrophobicContact CD1-CB 4.46Å; F36-A389 HydrophobicContact CE1-CB 3.53Å; F36-A389 HydrophobicContact CZ-CB 3.77Å; F36-F405 HydrophobicContact CD1-CE2 4.25Å; F36-F405 HydrophobicContact CD2-CZ 4.23Å; F36-F405 HydrophobicContact CE1-CE2 4.36Å; F36-F405 HydrophobicContact CE1-CZ 4.46Å; F36-F405 HydrophobicContact CE2-CZ 4.13Å; F36-F405 HydrophobicContact CG-CE2 4.37Å; F36-F405 HydrophobicContact CG-CZ 4.43Å; F36-F405 HydrophobicContact CZ-CZ 4.24Å
37L98.8Very high95.6Very high0 Ų038.9 Ų38.90%019%0.189CC..EExtended strand (participates in β ladder)trans-116.1114.4165.5-55.3-179.1000107.4L27 L28 L30 F39 M56 K58 L98L27-L37 WeakPolarHBondContact CA-O 3.49Å; L28-L37 PolarHBondContact N-O 3.37Å; L28-L37 PolarHBondContact O-N 3.39Å; L30-L37 HydrophobicContact CD1-CD1 3.82Å; L30-L37 HydrophobicContact CD1-CG 4.28Å; L30-L37 HydrophobicContact CG-CD1 4.46Å; L37-F39 HydrophobicContact CB-CD2 4.32Å; L37-F39 HydrophobicContact CB-CE2 3.44Å; L37-F39 VanDerWaalsContact CB-CE2 3.44Å; L37-F39 HydrophobicContact CB-CZ 3.71Å; L37-F39 HydrophobicContact CD1-CE2 4.36Å; L37-F39 HydrophobicContact CD1-CZ 4.02Å; L37-F39 HydrophobicContact CG-CZ 4.48Å; L37-M56 HydrophobicContact CD2-CE 3.71Å; L37-K58 HydrophobicContact CD2-CB 3.93Å; L37-K58 HydrophobicContact CD2-CD 3.82Å; L37-K58 HydrophobicContact CD2-CG 3.66Å; L37-L98 HydrophobicContact CD1-CD2 3.28Å
38A98.9Very high95.3Very high0 Ų043.2 Ų43.20%021%0.211CC..EExtended strand (participates in β ladder)trans-105.8116.2176.500000108.7L12 F13 L27 M56 R57 W68 L391L12-A38 HydrophobicContact CD1-CB 3.91Å; F13-A38 HydrophobicContact CE2-CB 4.34Å; L27-A38 HydrophobicContact CD1-CB 4.24Å; A38-M56 CarbonylContact O-C 3.57Å; A38-M56 WeakPolarHBondContact O-CA 3.35Å; A38-R57 PolarHBondContact N-O 2.81Å; A38-R57 PolarHBondContact O-N 2.89Å; A38-W68 HydrophobicContact CB-CH2 3.72Å; A38-W68 HydrophobicContact CB-CZ3 3.64Å; A38-L391 HydrophobicContact CB-CD1 4.2Å; A38-L391 HydrophobicContact CB-CD2 3.78Å
39F98.9Very high95.1Very high0 Ų043.6 Ų43.60%022%0.216CC..EExtended strand (participates in β ladder)trans-108.6152.1179.4-55.2-89.8000110.5P25 A26 L37 V55 M56 L74 P87 P89 L100 W136P25-F39 WeakPolarHBondContact CA-O 3.4Å; A26-F39 HydrophobicContact CB-CB 4.26Å; A26-F39 PolarHBondContact N-O 3.33Å; A26-F39 PolarHBondContact O-N 2.96Å; L37-F39 HydrophobicContact CB-CD2 4.32Å; L37-F39 HydrophobicContact CB-CE2 3.44Å; L37-F39 VanDerWaalsContact CB-CE2 3.44Å; L37-F39 HydrophobicContact CB-CZ 3.71Å; L37-F39 HydrophobicContact CD1-CE2 4.36Å; L37-F39 HydrophobicContact CD1-CZ 4.02Å; L37-F39 HydrophobicContact CG-CZ 4.48Å; F39-V55 WeakPolarHBondContact CA-O 3.48Å; F39-M56 HydrophobicContact CD1-CB 3.62Å; F39-M56 HydrophobicContact CE1-CB 3.84Å; F39-M56 HydrophobicContact CE1-CG 4.48Å; F39-M56 HydrophobicContact CE1-SD 3.88Å; F39-M56 HydrophobicContact CG-CB 4.39Å; F39-L74 HydrophobicContact CD1-CD1 3.73Å; F39-L74 HydrophobicContact CE1-CD1 3.91Å; F39-P87 HydrophobicContact CB-CB 3.92Å; F39-P87 HydrophobicContact CB-CG 4.23Å; F39-P89 HydrophobicContact CD2-CB 4.2Å; F39-P89 HydrophobicContact CD2-CG 3.95Å; F39-P89 HydrophobicContact CE2-CB 3.78Å; F39-P89 HydrophobicContact CE2-CG 3.98Å; F39-P89 HydrophobicContact CZ-CB 4.49Å; F39-L100 HydrophobicContact CD1-CD1 4.07Å; F39-L100 HydrophobicContact CD1-CD2 3.87Å; F39-L100 HydrophobicContact CD2-CD1 4.4Å; F39-L100 HydrophobicContact CE1-CD1 4.2Å; F39-L100 HydrophobicContact CE1-CD2 3.84Å; F39-L100 HydrophobicContact CG-CD1 4.18Å; F39-L100 HydrophobicContact CZ-CD1 4.41Å; F39-W136 HydrophobicContact CE1-CH2 4.07Å; F39-W136 AromaticContact CE1-CZ2 3.85Å; F39-W136 HydrophobicContact CE1-CZ2 3.85Å; F39-W136 AromaticContact CZ-CH2 3.94Å; F39-W136 HydrophobicContact CZ-CH2 3.94Å; F39-W136 AromaticContact CZ-CZ2 3.93Å; F39-W136 HydrophobicContact CZ-CZ2 3.93Å
40C98.8Very high94.9Very high0 Ų044.1 Ų44.10%022%0.22CC..EExtended strand (participates in β ladder)trans-157.7167.9166.961.70000111F13 R23 L54 V55 I403F13-C40 VanDerWaalsContact CD1-SG 3.6Å; R23-C40 WeakPolarHBondContact O-CB 3.49Å; C40-L54 WeakPolarHBondContact O-CA 3.28Å; C40-V55 PolarHBondContact N-O 3.21Å; C40-V55 PolarHBondContact O-N 3.42Å; C40-V55 WeakPolarHBondContact SG-CG2 3.47Å; C40-I403 HydrophobicContact CB-CD1 3.51Å
41E98.6Very high94.8Very high0 Ų044.2 Ų44.20%022%0.221CC..EExtended strand (participates in β ladder)trans-78.2131.7166.7-66.4175.6-162.800110.4Y22 R23 V24 R43 L54 M85 N86Y22-E41 VanDerWaalsContact CA-O 3.26Å; Y22-E41 WeakPolarHBondContact CA-O 3.29Å; R23-E41 PolarHBondContact N-O 3.05Å; R23-E41 WeakPolarHBondContact O-CB 3.48Å; R23-E41 PolarHBondContact O-N 3.15Å; V24-E41 HydrophobicContact CB-CG 4.09Å; V24-E41 HydrophobicContact CG2-CG 4.35Å; V24-E41 WeakPolarHBondContact CG2-OE1 3.4Å; E41-R43 HydrophobicContact CB-CG 4.16Å; E41-R43 IonicContact OE1-NH2 3.54Å; E41-R43 IonicContact OE2-CZ 2.76Å; E41-R43 IonicContact OE2-NE 3.91Å; E41-R43 PolarHBondContact OE2-NE 3.36Å; E41-R43 IonicContact OE2-NH2 3.14Å; E41-R43 PolarHBondContact OE2-NH2 3.45Å; E41-L54 HydrophobicContact CG-CD2 3.92Å; E41-M85 VanDerWaalsContact OE1-CA 3.27Å; E41-M85 WeakPolarHBondContact OE1-CA 3.37Å; E41-M85 VanDerWaalsContact OE1-CB 3.31Å; E41-M85 WeakPolarHBondContact OE1-CB 3.15Å; E41-N86 PolarHBondContact OE1-N 2.92Å; E41-N86 PolarHBondContact OE1-OD1 2.85Å
42E98.2Very high94.9Very high29 Ų2945.3 Ų45.314%0.13622%0.219CC..EExtended strand (participates in β ladder)trans-86.8127.1159-176.1-169.4107.700108.9V20 Y22 H52 L53 V55V20-E42 HydrophobicContact CG1-CG 3.74Å; Y22-E42 HydrophobicContact CD1-CB 4.31Å; Y22-E42 HydrophobicContact CE1-CB 4.07Å; Y22-E42 HydrophobicContact CE1-CG 3.92Å; E42-H52 PolarHBondContact O-N 2.79Å; E42-H52 IonicContact OE1-ND1 2.81Å; E42-L53 PolarHBondContact N-O 2.98Å; E42-V55 HydrophobicContact CB-CG1 3.96Å
43R97.6Very high95.3Very high4 Ų438.4 Ų38.42%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-126.3139.1-179-46.1-171.7168.5-175.1-7.6111.2V20 T21 V24 E41 T45 P46 D48 Q50 A51V20-R43 CarbonylContact C-O 3.54Å; V20-R43 VanDerWaalsContact CA-O 3.27Å; V20-R43 WeakPolarHBondContact CA-O 3.3Å; T21-R43 PolarHBondContact N-O 2.96Å; T21-R43 PolarHBondContact O-N 3.11Å; V24-R43 VanDerWaalsContact CG2-NH2 3.33Å; E41-R43 HydrophobicContact CB-CG 4.16Å; E41-R43 IonicContact OE1-NH2 3.54Å; E41-R43 IonicContact OE2-CZ 2.76Å; E41-R43 IonicContact OE2-NE 3.91Å; E41-R43 PolarHBondContact OE2-NE 3.36Å; E41-R43 IonicContact OE2-NH2 3.14Å; E41-R43 PolarHBondContact OE2-NH2 3.45Å; R43-T45 WeakPolarHBondContact CB-O 3.06Å; R43-T45 PolarHBondContact O-N 2.79Å; R43-P46 PolarHBondContact NH1-O 3.34Å; R43-D48 IonicContact CZ-OD1 2.67Å; R43-D48 IonicContact NH1-OD1 3.79Å; R43-D48 PolarHBondContact NH1-OD1 2.79Å; R43-D48 IonicContact NH2-OD1 3.54Å; R43-D48 PolarHBondContact NH2-OD1 3.5Å; R43-Q50 CarbonylContact C-O 3.43Å; R43-Q50 WeakPolarHBondContact CA-O 3.18Å; R43-A51 HydrophobicContact CG-CB 4.19Å
44L94.5Very high95.7Very high81 Ų8134.5 Ų34.542%0.42418%0.178SC..SBendtrans-65.9-27.2177-58.7178.2000112.5Q50L44-Q50 HydrophobicContact CB-CB 4.43Å; L44-Q50 PolarHBondContact N-O 2.97Å
45T91.8Very high96Very high56 Ų5627 Ų2734%0.34415%0.15SC..SBendtrans-145.5170.7170.975.90000108.7T21 R43 S47 Q50T21-T45 VanDerWaalsContact OG1-C 3.3Å; T21-T45 PolarHBondContact OG1-O 2.8Å; R43-T45 WeakPolarHBondContact CB-O 3.06Å; R43-T45 PolarHBondContact O-N 2.79Å; T45-S47 PolarHBondContact O-N 3.4Å; T45-S47 WeakPolarHBondContact OG1-CB 3.4Å; T45-S47 PolarHBondContact OG1-N 3.09Å; T45-Q50 HydrophobicContact CG2-CG 4.44Å; T45-Q50 WeakPolarHBondContact OG1-CB 3.17Å; T45-Q50 WeakPolarHBondContact OG1-CG 3.23Å
46P89.3Confident96.1Very high49 Ų4927.4 Ų27.432%0.31815%0.151SC..SBendtrans-58-18.3176-2431.6000115.6T21 R43 Y400T21-P46 HydrophobicContact CG2-CG 3.93Å; T21-P46 WeakPolarHBondContact OG1-CA 3.41Å; R43-P46 PolarHBondContact NH1-O 3.34Å; P46-Y400 HydrophobicContact CB-CD2 4.36Å
47S93.3Very high96.1Very high54 Ų5430 Ų3038%0.37816%0.161SC..SBendtrans-63.3138.8-177.3-176.60000112.7T45 S49 Q50T45-S47 PolarHBondContact O-N 3.4Å; T45-S47 WeakPolarHBondContact OG1-CB 3.4Å; T45-S47 PolarHBondContact OG1-N 3.09Å; S47-S49 VanDerWaalsContact C-N 3.29Å; S47-S49 PolarHBondContact O-N 2.87Å; S47-S49 PolarHBondContact OG-OG 2.94Å; S47-S49 VanDerWaalsContact OG-OG 3.09Å; S47-Q50 PolarHBondContact O-N 2.82Å
48D93.1Very high96.1Very high91 Ų9131 Ų3149%0.48717%0.166SC..G310 helixtrans-61.1-36.4178-58.1-28.1000112.3R23 R43 Q50 A51 M85R23-D48 IonicContact NH1-OD1 3.28Å; R43-D48 IonicContact CZ-OD1 2.67Å; R43-D48 IonicContact NH1-OD1 3.79Å; R43-D48 PolarHBondContact NH1-OD1 2.79Å; R43-D48 IonicContact NH2-OD1 3.54Å; R43-D48 PolarHBondContact NH2-OD1 3.5Å; D48-Q50 PolarHBondContact O-N 2.86Å; D48-A51 PolarHBondContact O-N 3.36Å; D48-M85 HydrophobicContact CB-CE 4.2Å; D48-M85 WeakPolarHBondContact O-CE 3.4Å
49S94.1Very high96.1Very high29 Ų2931 Ų3120%0.20317%0.166CC..G310 helixtrans-71.3-6.4176.961.60000114.2S47 H108S47-S49 VanDerWaalsContact C-N 3.29Å; S47-S49 PolarHBondContact O-N 2.87Å; S47-S49 PolarHBondContact OG-OG 2.94Å; S47-S49 VanDerWaalsContact OG-OG 3.09Å; S49-H108 PolarHBondContact O-ND1 2.81Å
50Q94.9Very high96Very high50 Ų5033 Ų3323%0.23418%0.18CC..G310 helixtrans-109.411.8-179.9-63.9-65.9-66.900112.3R43 L44 T45 S47 D48 H108R43-Q50 CarbonylContact C-O 3.43Å; R43-Q50 WeakPolarHBondContact CA-O 3.18Å; L44-Q50 HydrophobicContact CB-CB 4.43Å; L44-Q50 PolarHBondContact N-O 2.97Å; T45-Q50 HydrophobicContact CG2-CG 4.44Å; T45-Q50 WeakPolarHBondContact OG1-CB 3.17Å; T45-Q50 WeakPolarHBondContact OG1-CG 3.23Å; S47-Q50 PolarHBondContact O-N 2.82Å; D48-Q50 PolarHBondContact O-N 2.86Å; Q50-H108 PolarHBondContact NE2-ND1 2.83Å
51A93.6Very high95.7Very high2 Ų233.8 Ų33.82%0.01718%0.183CC..EExtended strand (participates in β ladder)trans-57.2149.1162.400000110.5R43 D48 R83 M85R43-A51 HydrophobicContact CG-CB 4.19Å; D48-A51 PolarHBondContact O-N 3.36Å; A51-R83 WeakPolarHBondContact O-CB 3.48Å; A51-R83 WeakPolarHBondContact O-CD 3.22Å; A51-M85 HydrophobicContact CB-CE 4.11Å; A51-M85 HydrophobicContact CB-CG 3.54Å; A51-M85 HydrophobicContact CB-SD 3.94Å
52H93.1Very high95.2Very high84 Ų8438.7 Ų38.739%0.38920%0.202SC..EExtended strand (participates in β ladder)trans-131.6-69.9-173.9-176.9-149.6000110.7E42 S84E42-H52 PolarHBondContact O-N 2.79Å; E42-H52 IonicContact OE1-ND1 2.81Å; H52-S84 PolarHBondContact O-N 2.86Å
53L96.8Very high94.3Very high36 Ų3647.4 Ų47.419%0.18823%0.234CC..EExtended strand (participates in β ladder)trans-131.7165.6-173.6-63.4171.4000110.7E42 V73 F78E42-L53 PolarHBondContact N-O 2.98Å; L53-V73 HydrophobicContact CB-CG1 4.39Å; L53-V73 HydrophobicContact CD1-CG1 3.8Å; L53-F78 HydrophobicContact CD2-CB 4.48Å
54L98.6Very high93.4Very high0 Ų053.2 Ų53.20%027%0.265CS..EExtended strand (participates in β ladder)trans-95.2139.9167.1-57.7-178.6000109.7C40 E41 L74 A77 P87 L100 F102C40-L54 WeakPolarHBondContact O-CA 3.28Å; E41-L54 HydrophobicContact CG-CD2 3.92Å; L54-L74 HydrophobicContact CB-CB 4.35Å; L54-L74 HydrophobicContact CB-CD1 3.98Å; L54-L74 WeakPolarHBondContact O-CB 3.49Å; L54-L74 PolarHBondContact O-N 2.9Å; L54-A77 HydrophobicContact CD1-CB 4.21Å; L54-P87 HydrophobicContact CD1-CB 4.23Å; L54-P87 HydrophobicContact CD2-CB 4.32Å; L54-P87 HydrophobicContact CD2-CG 4.29Å; L54-L100 HydrophobicContact CD1-CD2 4.16Å; L54-F102 HydrophobicContact CD1-CB 3.69Å; L54-F102 HydrophobicContact CD1-CD1 4.43Å; L54-F102 HydrophobicContact CD1-CG 4.02Å
55V98.7Very high93.1Very high0 Ų055.5 Ų55.50%027%0.269CS..EExtended strand (participates in β ladder)trans-123.6156.6174.1-60.80000109.7F13 Y22 F39 C40 E42 M71 C72 V73F13-V55 HydrophobicContact CD1-CG2 4.24Å; F13-V55 HydrophobicContact CE1-CG2 3.82Å; Y22-V55 HydrophobicContact CD1-CG2 3.89Å; Y22-V55 HydrophobicContact CE1-CG2 4Å; F39-V55 WeakPolarHBondContact CA-O 3.48Å; C40-V55 PolarHBondContact N-O 3.21Å; C40-V55 PolarHBondContact O-N 3.42Å; C40-V55 WeakPolarHBondContact SG-CG2 3.47Å; E42-V55 HydrophobicContact CB-CG1 3.96Å; V55-M71 HydrophobicContact CB-CG 3.99Å; V55-M71 HydrophobicContact CB-SD 4.07Å; V55-M71 HydrophobicContact CG1-SD 4.32Å; V55-M71 HydrophobicContact CG2-CG 4.31Å; V55-M71 HydrophobicContact CG2-SD 3.92Å; V55-C72 CarbonylContact C-O 3.58Å; V55-C72 WeakPolarHBondContact CA-O 3.43Å; V55-V73 HydrophobicContact CG1-CG2 4.14Å
56M98.6Very high93.2Very high10 Ų1053.8 Ų53.85%0.04926%0.258CS..EExtended strand (participates in β ladder)trans-137.4157.2174.877.7177-106.600112.8L37 A38 F39 K58 M71 C72 L74 G133 W136L37-M56 HydrophobicContact CD2-CE 3.71Å; A38-M56 CarbonylContact O-C 3.57Å; A38-M56 WeakPolarHBondContact O-CA 3.35Å; F39-M56 HydrophobicContact CD1-CB 3.62Å; F39-M56 HydrophobicContact CE1-CB 3.84Å; F39-M56 HydrophobicContact CE1-CG 4.48Å; F39-M56 HydrophobicContact CE1-SD 3.88Å; F39-M56 HydrophobicContact CG-CB 4.39Å; M56-K58 HydrophobicContact CE-CB 3.89Å; M56-M71 WeakPolarHBondContact O-CA 3.43Å; M56-C72 HydrophobicContact CG-CB 4.31Å; M56-C72 PolarHBondContact N-O 2.95Å; M56-C72 PolarHBondContact O-N 2.88Å; M56-L74 HydrophobicContact CB-CD1 4.39Å; M56-L74 HydrophobicContact CG-CD2 4.14Å; M56-L74 HydrophobicContact CG-CG 4.39Å; M56-L74 HydrophobicContact SD-CD2 3.74Å; M56-G133 WeakPolarHBondContact CE-O 3.35Å; M56-W136 HydrophobicContact SD-CZ2 4.05Å
57R98.7Very high93.6Very high55 Ų5556.9 Ų56.921%0.20827%0.269CS..EExtended strand (participates in β ladder)trans-121.7138.8158.1-72.6-178.3176.3-92.83.8109L12 F13 A38 W68 K69 M71L12-R57 PolarHBondContact O-NE 2.59Å; F13-R57 HydrophobicContact CE1-CG 4.03Å; F13-R57 HydrophobicContact CZ-CB 4.23Å; F13-R57 HydrophobicContact CZ-CG 3.88Å; A38-R57 PolarHBondContact N-O 2.81Å; A38-R57 PolarHBondContact O-N 2.89Å; R57-W68 HydrophobicContact CB-CE3 3.74Å; R57-W68 HydrophobicContact CB-CZ3 4.18Å; R57-W68 WeakPolarHBondContact O-CZ3 3.43Å; R57-K69 PolarHBondContact NH1-O 3.16Å; R57-M71 HydrophobicContact CG-CB 4.16Å
58K98.4Very high93.8Very high22 Ų2256.4 Ų56.410%0.09626%0.259CS..EExtended strand (participates in β ladder)trans-101.8128.1171.7-177.6163.2179.6175.60109F36 L37 M56 K69 G132 D134F36-K58 CarbonylContact O-C 3.6Å; F36-K58 WeakPolarHBondContact O-CA 3.25Å; L37-K58 HydrophobicContact CD2-CB 3.93Å; L37-K58 HydrophobicContact CD2-CD 3.82Å; L37-K58 HydrophobicContact CD2-CG 3.66Å; M56-K58 HydrophobicContact CE-CB 3.89Å; K58-K69 HydrophobicContact CB-CD 4.48Å; K58-K69 WeakPolarHBondContact O-CB 3.27Å; K58-K69 PolarHBondContact O-N 3.14Å; K58-G132 WeakPolarHBondContact CE-O 3.16Å; K58-G132 PolarHBondContact NZ-O 2.96Å; K58-D134 IonicContact NZ-OD1 3.89Å; K58-D134 PolarHBondContact NZ-OD1 2.92Å; K58-D134 IonicContact NZ-OD2 3.8Å; K58-D134 PolarHBondContact NZ-OD2 3.14Å
59G97.9Very high94.1Very high0 Ų057.4 Ų57.40%026%0.259CS..EExtended strand (participates in β ladder)trans-118.6126.2-17800000111.9S35 F36 E67S35-G59 CarbonylContact C-O 3.6Å; S35-G59 WeakPolarHBondContact CA-O 3.46Å; S35-G59 WeakPolarHBondContact CB-O 3.16Å; F36-G59 PolarHBondContact N-O 3.37Å; F36-G59 PolarHBondContact O-N 3.25Å; G59-E67 CarbonylContact C-O 3.52Å; G59-E67 WeakPolarHBondContact CA-O 3.2Å
60S96.8Very high94.2Very high41 Ų4162.3 Ų62.329%0.28728%0.283SS..EExtended strand (participates in β ladder)trans-83.7125.9172.8-65.20000109.8Y62 V66 E67S60-Y62 WeakPolarHBondContact O-CD2 3.16Å; S60-V66 WeakPolarHBondContact O-CA 3.25Å; S60-E67 PolarHBondContact N-O 3.3Å; S60-E67 PolarHBondContact O-N 2.9Å
61F93.8Very high94.4Very high17 Ų1762.9 Ų62.98%0.07529%0.286CS..EExtended strand (participates in β ladder)trans-94120.9-177.9-176.7-121.2000112.1Y29 R34 F36 R63 Y65 V66 L374 L376Y29-F61 HydrophobicContact CE2-CB 4.21Å; Y29-F61 HydrophobicContact CE2-CD1 4.28Å; Y29-F61 HydrophobicContact CE2-CG 4.48Å; R34-F61 WeakPolarHBondContact O-CB 3.44Å; R34-F61 PolarHBondContact O-N 2.82Å; F36-F61 HydrophobicContact CD2-CB 4.16Å; F36-F61 HydrophobicContact CE2-CB 3.93Å; F36-F61 AromaticContact CE2-CD2 3.85Å; F36-F61 HydrophobicContact CE2-CD2 3.85Å; F36-F61 AromaticContact CE2-CG 3.9Å; F36-F61 HydrophobicContact CE2-CG 3.9Å; F61-R63 WeakPolarHBondContact CZ-O 3.25Å; F61-Y65 VanDerWaalsContact CD2-O 3.29Å; F61-Y65 WeakPolarHBondContact CD2-O 3.32Å; F61-V66 HydrophobicContact CD2-CG2 3.66Å; F61-V66 HydrophobicContact CE2-CG2 4.4Å; F61-L374 HydrophobicContact CD1-CD1 4.1Å; F61-L374 HydrophobicContact CE1-CD1 3.49Å; F61-L374 VanDerWaalsContact CE1-CD1 3.49Å; F61-L374 HydrophobicContact CE2-CD1 4.24Å; F61-L374 HydrophobicContact CZ-CD1 3.55Å; F61-L376 HydrophobicContact CE1-CD2 3.57Å; F61-L376 HydrophobicContact CZ-CD2 3.43Å; F61-L376 VanDerWaalsContact CZ-CD2 3.43Å
62Y88.2Confident94.6Very high102 Ų10266.1 Ų66.140%0.431%0.308SS..EExtended strand (participates in β ladder)trans-120.197.8179.5-58.8-80.3000110.2S60 N64 Y65 E67S60-Y62 WeakPolarHBondContact O-CD2 3.16Å; Y62-N64 PolarHBondContact O-N 3.2Å; Y62-Y65 HydrophobicContact CD2-CD2 4.38Å; Y62-Y65 AromaticContact CD2-CE2 3.66Å; Y62-Y65 HydrophobicContact CD2-CE2 3.66Å; Y62-Y65 AromaticContact CD2-CZ 3.84Å; Y62-Y65 HydrophobicContact CE2-CE2 4.47Å; Y62-Y65 HydrophobicContact CG-CE1 4.49Å; Y62-Y65 HydrophobicContact CG-CE2 4.24Å; Y62-Y65 AromaticContact CG-CZ 3.96Å; Y62-Y65 PolarHBondContact N-O 3.03Å; Y62-Y65 WeakPolarHBondContact O-CD1 3.43Å; Y62-Y65 PolarHBondContact O-N 3.14Å; Y62-E67 HydrophobicContact CD2-CB 4.31Å; Y62-E67 HydrophobicContact CE2-CB 3.84Å; Y62-E67 WeakPolarHBondContact CE2-OE2 3.42Å
63R79.1Confident94.8Very high212 Ų21265.7 Ų65.780%0.831%0.311SS*.THydrogen-bonded Turntrans56.5-68.6175.9-59.7-178.6179.4-173-1.3114.7F61F61-R63 WeakPolarHBondContact CZ-O 3.25Å
64N78.2Confident94.9Very high126 Ų12664.2 Ų64.267%0.67430%0.303SS*.THydrogen-bonded Turntrans-134.82.5-175.168.1-39.5000114.2Y62Y62-N64 PolarHBondContact O-N 3.2Å
65Y87.7Confident94.8Very high129 Ų12966.5 Ų66.551%0.50633%0.327SS..EExtended strand (participates in β ladder)trans-137.5161175.373.8-87.4000112.2F61 Y62F61-Y65 VanDerWaalsContact CD2-O 3.29Å; F61-Y65 WeakPolarHBondContact CD2-O 3.32Å; Y62-Y65 HydrophobicContact CD2-CD2 4.38Å; Y62-Y65 AromaticContact CD2-CE2 3.66Å; Y62-Y65 HydrophobicContact CD2-CE2 3.66Å; Y62-Y65 AromaticContact CD2-CZ 3.84Å; Y62-Y65 HydrophobicContact CE2-CE2 4.47Å; Y62-Y65 HydrophobicContact CG-CE1 4.49Å; Y62-Y65 HydrophobicContact CG-CE2 4.24Å; Y62-Y65 AromaticContact CG-CZ 3.96Å; Y62-Y65 PolarHBondContact N-O 3.03Å; Y62-Y65 WeakPolarHBondContact O-CD1 3.43Å; Y62-Y65 PolarHBondContact O-N 3.14Å
66V95.3Very high94.7Very high20 Ų2068.8 Ų68.812%0.12134%0.341CS..EExtended strand (participates in β ladder)trans-117.8130.9177-176.10000109.6F36 S60 F61 W68 F405F36-V66 HydrophobicContact CD2-CG1 4.22Å; F36-V66 HydrophobicContact CD2-CG2 3.61Å; F36-V66 HydrophobicContact CE2-CG2 3.65Å; S60-V66 WeakPolarHBondContact O-CA 3.25Å; F61-V66 HydrophobicContact CD2-CG2 3.66Å; F61-V66 HydrophobicContact CE2-CG2 4.4Å; V66-W68 HydrophobicContact CB-CZ2 4.38Å; V66-W68 HydrophobicContact CG1-CD2 3.91Å; V66-W68 VanDerWaalsContact CG1-CE2 3.44Å; V66-W68 HydrophobicContact CG1-CG 4.23Å; V66-W68 HydrophobicContact CG1-CH2 4.46Å; V66-W68 HydrophobicContact CG1-CZ2 3.74Å; V66-F405 HydrophobicContact CB-CE1 4.11Å; V66-F405 HydrophobicContact CG2-CE1 3.59Å; V66-F405 HydrophobicContact CG2-CZ 3.68Å
67E97Very high94.7Very high114 Ų11468.3 Ų68.353%0.53334%0.339SS..EExtended strand (participates in β ladder)trans-98.7115.1170.3-173-178-174.500109.3G59 S60 Y62G59-E67 CarbonylContact C-O 3.52Å; G59-E67 WeakPolarHBondContact CA-O 3.2Å; S60-E67 PolarHBondContact N-O 3.3Å; S60-E67 PolarHBondContact O-N 2.9Å; Y62-E67 HydrophobicContact CD2-CB 4.31Å; Y62-E67 HydrophobicContact CE2-CB 3.84Å; Y62-E67 WeakPolarHBondContact CE2-OE2 3.42Å
68W98.1Very high94.6Very high45 Ų4570 Ų7017%0.1735%0.348CS..EExtended strand (participates in β ladder)trans-94.3131.5-175.6-66.395.1000111.8L12 F36 A38 R57 V66 F405L12-W68 HydrophobicContact CD1-CD2 3.92Å; L12-W68 HydrophobicContact CD1-CE3 4.07Å; L12-W68 HydrophobicContact CD1-CH2 3.65Å; L12-W68 HydrophobicContact CD1-CZ2 3.49Å; L12-W68 VanDerWaalsContact CD1-CZ2 3.49Å; L12-W68 HydrophobicContact CD1-CZ3 3.95Å; L12-W68 HydrophobicContact CD2-CD2 3.82Å; L12-W68 HydrophobicContact CD2-CG 3.77Å; L12-W68 HydrophobicContact CD2-CZ2 4.35Å; F36-W68 HydrophobicContact CB-CH2 3.59Å; F36-W68 HydrophobicContact CB-CZ2 4.29Å; F36-W68 HydrophobicContact CB-CZ3 4.15Å; F36-W68 HydrophobicContact CG-CH2 4.45Å; A38-W68 HydrophobicContact CB-CH2 3.72Å; A38-W68 HydrophobicContact CB-CZ3 3.64Å; R57-W68 HydrophobicContact CB-CE3 3.74Å; R57-W68 HydrophobicContact CB-CZ3 4.18Å; R57-W68 WeakPolarHBondContact O-CZ3 3.43Å; V66-W68 HydrophobicContact CB-CZ2 4.38Å; V66-W68 HydrophobicContact CG1-CD2 3.91Å; V66-W68 VanDerWaalsContact CG1-CE2 3.44Å; V66-W68 HydrophobicContact CG1-CG 4.23Å; V66-W68 HydrophobicContact CG1-CH2 4.46Å; V66-W68 HydrophobicContact CG1-CZ2 3.74Å; W68-F405 HydrophobicContact CH2-CD2 4.27Å; W68-F405 HydrophobicContact CH2-CE2 4.33Å; W68-F405 HydrophobicContact CZ2-CB 4.38Å; W68-F405 AromaticContact CZ2-CD1 3.89Å; W68-F405 HydrophobicContact CZ2-CD1 3.89Å; W68-F405 AromaticContact CZ2-CD2 3.67Å; W68-F405 HydrophobicContact CZ2-CD2 3.67Å; W68-F405 HydrophobicContact CZ2-CE1 4.01Å; W68-F405 AromaticContact CZ2-CE2 3.78Å; W68-F405 HydrophobicContact CZ2-CE2 3.78Å; W68-F405 AromaticContact CZ2-CG 3.71Å; W68-F405 HydrophobicContact CZ2-CG 3.71Å; W68-F405 AromaticContact CZ2-CZ 3.97Å; W68-F405 HydrophobicContact CZ2-CZ 3.97Å; W68-F405 AromaticContact NE1-CD1 3.97Å
69K98Very high94.6Very high112 Ų11270.3 Ų70.349%0.48735%0.35SS..PPolyproline II helixtrans-71.4167.5166.1-64.4-174.2-178.7-179.60111R57 K58R57-K69 PolarHBondContact NH1-O 3.16Å; K58-K69 HydrophobicContact CB-CD 4.48Å; K58-K69 WeakPolarHBondContact O-CB 3.27Å; K58-K69 PolarHBondContact O-N 3.14Å
70D97.8Very high94.6Very high132 Ų13275.3 Ų75.371%0.70638%0.383SS*.PPolyproline II helixtrans-58.5153.1171.8-70-31000112.3C72D70-C72 PolarHBondContact O-N 2.95Å; D70-C72 PolarHBondContact O-SG 3.25Å
71M97.9Very high94.6Very high61 Ų6176.2 Ų76.230%0.340%0.398SS..PPolyproline II helixtrans-64134.4177.2-177.117874.600110.2F13 Y22 V55 M56 R57F13-M71 HydrophobicContact CD1-CG 4.44Å; F13-M71 HydrophobicContact CD1-SD 3.79Å; F13-M71 HydrophobicContact CE1-CG 3.95Å; F13-M71 HydrophobicContact CE1-SD 3.86Å; Y22-M71 HydrophobicContact CD1-SD 4.44Å; Y22-M71 HydrophobicContact CE1-CE 4.18Å; Y22-M71 HydrophobicContact CE1-SD 3.64Å; Y22-M71 WeakPolarHBondContact OH-CE 3.27Å; V55-M71 HydrophobicContact CB-CG 3.99Å; V55-M71 HydrophobicContact CB-SD 4.07Å; V55-M71 HydrophobicContact CG1-SD 4.32Å; V55-M71 HydrophobicContact CG2-CG 4.31Å; V55-M71 HydrophobicContact CG2-SD 3.92Å; M56-M71 WeakPolarHBondContact O-CA 3.43Å; R57-M71 HydrophobicContact CG-CB 4.16Å
72C97.3Very high94.8Very high70 Ų7077.5 Ų77.547%0.47341%0.405SS..EExtended strand (participates in β ladder)trans-120.6132.7178.8-61.80000109.5V55 M56 D70V55-C72 CarbonylContact C-O 3.58Å; V55-C72 WeakPolarHBondContact CA-O 3.43Å; M56-C72 HydrophobicContact CG-CB 4.31Å; M56-C72 PolarHBondContact N-O 2.95Å; M56-C72 PolarHBondContact O-N 2.88Å; D70-C72 PolarHBondContact O-N 2.95Å; D70-C72 PolarHBondContact O-SG 3.25Å
73V98.1Very high95.3Very high75 Ų7573.3 Ų73.346%0.45539%0.388SS..EExtended strand (participates in β ladder)trans-77.7132.1171.2179.80000109.2L53 V55 G75L53-V73 HydrophobicContact CB-CG1 4.39Å; L53-V73 HydrophobicContact CD1-CG1 3.8Å; V55-V73 HydrophobicContact CG1-CG2 4.14Å; V73-G75 VanDerWaalsContact C-N 3.28Å; V73-G75 PolarHBondContact O-N 2.78Å
74L98.2Very high96.2Very high6 Ų663.2 Ų63.23%0.03135%0.35CS..  trans-83.673.8175.7-67.9171.9000110.4F39 L54 M56 T76 A77 L100 I127 W136F39-L74 HydrophobicContact CD1-CD1 3.73Å; F39-L74 HydrophobicContact CE1-CD1 3.91Å; L54-L74 HydrophobicContact CB-CB 4.35Å; L54-L74 HydrophobicContact CB-CD1 3.98Å; L54-L74 WeakPolarHBondContact O-CB 3.49Å; L54-L74 PolarHBondContact O-N 2.9Å; M56-L74 HydrophobicContact CB-CD1 4.39Å; M56-L74 HydrophobicContact CG-CD2 4.14Å; M56-L74 HydrophobicContact CG-CG 4.39Å; M56-L74 HydrophobicContact SD-CD2 3.74Å; L74-T76 PolarHBondContact O-N 3.46Å; L74-A77 HydrophobicContact CB-CB 3.91Å; L74-A77 PolarHBondContact O-N 2.96Å; L74-L100 HydrophobicContact CD1-CD2 3.4Å; L74-I127 HydrophobicContact CD2-CD1 4.43Å; L74-W136 HydrophobicContact CD2-CD2 4.36Å; L74-W136 HydrophobicContact CD2-CG 4.25Å; L74-W136 HydrophobicContact CD2-CZ2 4.43Å
75G96.6Very high97.2Very high48 Ų4857.8 Ų57.850%0.49532%0.321SS..THydrogen-bonded Turntrans-63-9.2-174.300000115.7V73 F78V73-G75 VanDerWaalsContact C-N 3.28Å; V73-G75 PolarHBondContact O-N 2.78Å; G75-F78 WeakPolarHBondContact O-CD1 3.35Å; G75-F78 VanDerWaalsContact O-CE1 3.23Å; G75-F78 WeakPolarHBondContact O-CE1 3.47Å
76T97.6Very high97.7Very high48 Ų4852.3 Ų52.329%0.29430%0.3SS..THydrogen-bonded Turntrans-98.7-13.2173.263.40000113.4L74 F78 I127 W136 S137 A139L74-T76 PolarHBondContact O-N 3.46Å; T76-F78 PolarHBondContact O-N 2.9Å; T76-F78 VanDerWaalsContact O-N 3.08Å; T76-I127 WeakPolarHBondContact O-CG2 3.2Å; T76-W136 WeakPolarHBondContact OG1-CB 3.13Å; T76-S137 WeakPolarHBondContact CB-O 3.35Å; T76-S137 PolarHBondContact OG1-O 2.85Å; T76-A139 WeakPolarHBondContact O-CB 3.48Å; T76-A139 PolarHBondContact O-N 2.84Å
77A98.1Very high97.9Very high0 Ų051.4 Ų51.40%029%0.294CS..SBendtrans-84.655.5178.700000111.6L54 L74 S84 F102 I127L54-A77 HydrophobicContact CD1-CB 4.21Å; L74-A77 HydrophobicContact CB-CB 3.91Å; L74-A77 PolarHBondContact O-N 2.96Å; A77-S84 WeakPolarHBondContact O-CB 3.44Å; A77-S84 PolarHBondContact O-OG 2.85Å; A77-F102 VanDerWaalsContact C-CZ 3.49Å; A77-F102 HydrophobicContact CB-CD1 4.39Å; A77-F102 HydrophobicContact CB-CE1 4Å; A77-F102 HydrophobicContact CB-CZ 4.18Å; A77-I127 HydrophobicContact CB-CD1 3.68Å; A77-I127 HydrophobicContact CB-CG1 4.21Å; A77-I127 HydrophobicContact CB-CG2 4.38Å
78F97.1Very high97.9Very high91 Ų9146 Ų4640%0.39927%0.269SS..  trans-149158.5177.886-76.1000112.4L53 G75 T76 P80L53-F78 HydrophobicContact CD2-CB 4.48Å; G75-F78 WeakPolarHBondContact O-CD1 3.35Å; G75-F78 VanDerWaalsContact O-CE1 3.23Å; G75-F78 WeakPolarHBondContact O-CE1 3.47Å; T76-F78 PolarHBondContact O-N 2.9Å; T76-F78 VanDerWaalsContact O-N 3.08Å; F78-P80 HydrophobicContact CE2-CG 4.34Å
79L98Very high98Very high28 Ų2843.8 Ų43.815%0.14726%0.261CS..  trans-115.6141.6164.4-66.2-175.5000109.4G81 H82 A104 R123 C125 A139L79-G81 PolarHBondContact O-N 2.92Å; L79-H82 HydrophobicContact CB-CB 4.06Å; L79-H82 WeakPolarHBondContact O-CB 3.5Å; L79-H82 PolarHBondContact O-N 3.35Å; L79-A104 HydrophobicContact CB-CB 4.32Å; L79-A104 HydrophobicContact CD1-CB 3.99Å; L79-A104 HydrophobicContact CG-CB 4.13Å; L79-R123 HydrophobicContact CD1-CB 4.06Å; L79-R123 HydrophobicContact CD1-CG 4.12Å; L79-C125 VanDerWaalsContact CD1-SG 3.56Å; L79-A139 HydrophobicContact CD2-CB 4.17Å
80P97.4Very high98Very high105 Ų10538.5 Ų38.568%0.68224%0.238SC*.THydrogen-bonded Turntrans-53.3130.1178.2-27.335.2000112.4F78 H82F78-P80 HydrophobicContact CE2-CG 4.34Å; P80-H82 PolarHBondContact O-N 2.84Å; P80-H82 PolarHBondContact O-ND1 3.09Å
81G97.3Very high98Very high60 Ų6033.2 Ų33.262%0.61921%0.208SC*.THydrogen-bonded Turntrans73.45.9-179.600000115.3L79 G107L79-G81 PolarHBondContact O-N 2.92Å; G81-G107 PolarHBondContact O-N 2.82Å
82H98.4Very high98.1Very high44 Ų4430.3 Ų30.320%0.20419%0.194CC..EExtended strand (participates in β ladder)trans-113.6152.7177.8-60.666.1000110.9L79 P80 A104 V105 L106L79-H82 HydrophobicContact CB-CB 4.06Å; L79-H82 WeakPolarHBondContact O-CB 3.5Å; L79-H82 PolarHBondContact O-N 3.35Å; P80-H82 PolarHBondContact O-N 2.84Å; P80-H82 PolarHBondContact O-ND1 3.09Å; H82-A104 HydrophobicContact CB-CB 3.87Å; H82-V105 CarbonylContact C-O 3.57Å; H82-V105 VanDerWaalsContact CA-O 3.24Å; H82-V105 WeakPolarHBondContact CA-O 3.28Å; H82-V105 WeakPolarHBondContact CB-O 3.29Å; H82-L106 PolarHBondContact CD2-N 3.06Å; H82-L106 VanDerWaalsContact CD2-N 3.35Å
83R97.8Very high98Very high13 Ų1333 Ų335%0.04920%0.199CC..EExtended strand (participates in β ladder)trans-94.2141.716665.5-175-169.6-82.6-2.5110.5A51 M85 A104 V105 G107 T109A51-R83 WeakPolarHBondContact O-CB 3.48Å; A51-R83 WeakPolarHBondContact O-CD 3.22Å; R83-M85 HydrophobicContact CG-CG 4.3Å; R83-M85 HydrophobicContact CG-SD 4.17Å; R83-M85 PolarHBondContact NE-SD 2.82Å; R83-A104 CarbonylContact O-C 3.52Å; R83-A104 VanDerWaalsContact O-CA 3.29Å; R83-A104 WeakPolarHBondContact O-CA 3.45Å; R83-V105 HydrophobicContact CG-CB 4.19Å; R83-V105 PolarHBondContact N-O 2.67Å; R83-V105 VanDerWaalsContact NH1-CG1 3.32Å; R83-V105 PolarHBondContact O-N 2.76Å; R83-G107 WeakPolarHBondContact CD-O 3.31Å; R83-G107 PolarHBondContact NH1-O 2.68Å; R83-T109 PolarHBondContact NH1-O 3.41Å; R83-T109 PolarHBondContact NH2-O 3.33Å
84S98.5Very high97.9Very high0 Ų035.9 Ų35.90%021%0.206CC..EExtended strand (participates in β ladder)trans-95.6133.3177.8-59.40000111.4H52 A77 I103H52-S84 PolarHBondContact O-N 2.86Å; A77-S84 WeakPolarHBondContact O-CB 3.44Å; A77-S84 PolarHBondContact O-OG 2.85Å; S84-I103 WeakPolarHBondContact CA-O 3.5Å
85M98.5Very high97.9Very high13 Ų1338.7 Ų38.76%0.06422%0.224CC..EExtended strand (participates in β ladder)trans-143.1166.3-174.2-61-178.470.700111.9E41 D48 A51 R83 F102 I103 V105E41-M85 VanDerWaalsContact OE1-CA 3.27Å; E41-M85 WeakPolarHBondContact OE1-CA 3.37Å; E41-M85 VanDerWaalsContact OE1-CB 3.31Å; E41-M85 WeakPolarHBondContact OE1-CB 3.15Å; D48-M85 HydrophobicContact CB-CE 4.2Å; D48-M85 WeakPolarHBondContact O-CE 3.4Å; A51-M85 HydrophobicContact CB-CE 4.11Å; A51-M85 HydrophobicContact CB-CG 3.54Å; A51-M85 HydrophobicContact CB-SD 3.94Å; R83-M85 HydrophobicContact CG-CG 4.3Å; R83-M85 HydrophobicContact CG-SD 4.17Å; R83-M85 PolarHBondContact NE-SD 2.82Å; M85-F102 WeakPolarHBondContact O-CB 3.44Å; M85-I103 HydrophobicContact CB-CD1 4.14Å; M85-I103 HydrophobicContact CB-CG1 3.72Å; M85-I103 PolarHBondContact N-O 2.97Å; M85-I103 PolarHBondContact O-N 3.02Å; M85-V105 HydrophobicContact SD-CG2 4.45Å
86N98.6Very high97.9Very high14 Ų1436.8 Ų36.88%0.07520%0.204CC..EExtended strand (participates in β ladder)trans51.764.6173.9-68.438.9000113.6E41 C88 I103 L159 P161E41-N86 PolarHBondContact OE1-N 2.92Å; E41-N86 PolarHBondContact OE1-OD1 2.85Å; N86-C88 PolarHBondContact O-N 2.95Å; N86-I103 HydrophobicContact CB-CG1 4.35Å; N86-L159 WeakPolarHBondContact CB-O 3.25Å; N86-L159 PolarHBondContact ND2-O 2.87Å; N86-P161 HydrophobicContact CB-CB 4.43Å
87P98.8Very high97.9Very high0 Ų036.8 Ų36.80%020%0.202CC..EExtended strand (participates in β ladder)trans-57.6129173.925.8-33.6000110.5V24 A26 F39 L54 L100 G162V24-P87 WeakPolarHBondContact O-CG 3.38Å; A26-P87 HydrophobicContact CB-CB 4.16Å; A26-P87 HydrophobicContact CB-CG 4.08Å; A26-P87 VanDerWaalsContact CB-O 3.29Å; A26-P87 WeakPolarHBondContact CB-O 3.44Å; F39-P87 HydrophobicContact CB-CB 3.92Å; F39-P87 HydrophobicContact CB-CG 4.23Å; L54-P87 HydrophobicContact CD1-CB 4.23Å; L54-P87 HydrophobicContact CD2-CB 4.32Å; L54-P87 HydrophobicContact CD2-CG 4.29Å; P87-L100 HydrophobicContact CB-CD1 3.92Å; P87-G162 PolarHBondContact O-N 3.04Å
88C98.9Very high97.9Very high0 Ų036.8 Ų36.80%020%0.202CC..EExtended strand (participates in β ladder)trans-135.987.6179.2-172.40000110.5N86 F101 L159 G162 I174N86-C88 PolarHBondContact O-N 2.95Å; C88-F101 HydrophobicContact CB-CB 4.17Å; C88-F101 PolarHBondContact N-O 3.26Å; C88-F101 WeakPolarHBondContact O-CB 3.43Å; C88-F101 PolarHBondContact O-N 2.82Å; C88-L159 HydrophobicContact CB-CB 4.24Å; C88-L159 HydrophobicContact CB-CD1 4.48Å; C88-G162 WeakPolarHBondContact CA-O 3.48Å; C88-G162 WeakPolarHBondContact CB-O 3.47Å; C88-G162 PolarHBondContact SG-O 3.31Å; C88-I174 HydrophobicContact CB-CG2 4.47Å
89P98.8Very high98Very high0 Ų032.9 Ų32.90%019%0.185CC..EExtended strand (participates in β ladder)trans-80.6141.9-178.133.6-36.1000111.8A26 L28 F39 F99 L100 H163 G164A26-P89 HydrophobicContact CB-CG 4.09Å; L28-P89 HydrophobicContact CB-CB 4.2Å; L28-P89 HydrophobicContact CB-CG 4.03Å; L28-P89 HydrophobicContact CD2-CB 4.1Å; F39-P89 HydrophobicContact CD2-CB 4.2Å; F39-P89 HydrophobicContact CD2-CG 3.95Å; F39-P89 HydrophobicContact CE2-CB 3.78Å; F39-P89 HydrophobicContact CE2-CG 3.98Å; F39-P89 HydrophobicContact CZ-CB 4.49Å; P89-F99 CarbonylContact C-O 3.45Å; P89-F99 VanDerWaalsContact CA-O 3.29Å; P89-F99 WeakPolarHBondContact CA-O 3.36Å; P89-L100 HydrophobicContact CB-CD1 3.99Å; P89-H163 WeakPolarHBondContact O-CA 3.08Å; P89-G164 PolarHBondContact O-N 2.93Å
90V98.6Very high98.1Very high1 Ų131.5 Ų31.51%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-139.6139.1169.566.70000109.4F99 F101 L172 I174V90-F99 HydrophobicContact CG1-CB 3.88Å; V90-F99 HydrophobicContact CG1-CD2 4.43Å; V90-F99 PolarHBondContact N-O 3Å; V90-F99 PolarHBondContact O-N 3.01Å; V90-F101 HydrophobicContact CG1-CD2 4.31Å; V90-F101 HydrophobicContact CG1-CE2 4.09Å; V90-L172 HydrophobicContact CG2-CD2 4.26Å; V90-I174 HydrophobicContact CB-CD1 3.97Å; V90-I174 HydrophobicContact CG1-CD1 3.54Å
91Y98.5Very high98.1Very high21 Ų2126.6 Ų26.68%0.08215%0.146CC..EExtended strand (participates in β ladder)trans-111.2126.8176.4178.8-112.8000110.2L30 F33 E93 L98L30-Y91 HydrophobicContact CD2-CD1 3.92Å; L30-Y91 HydrophobicContact CD2-CD2 3.73Å; L30-Y91 HydrophobicContact CD2-CE1 4.46Å; L30-Y91 HydrophobicContact CD2-CE2 4.29Å; L30-Y91 HydrophobicContact CD2-CG 3.52Å; F33-Y91 HydrophobicContact CE2-CE2 4.44Å; Y91-E93 HydrophobicContact CD1-CG 3.77Å; Y91-E93 HydrophobicContact CE1-CB 4.37Å; Y91-E93 HydrophobicContact CE1-CG 3.88Å; Y91-L98 HydrophobicContact CD2-CB 4.13Å
92D98.2Very high98.2Very high0 Ų023.8 Ų23.80%012%0.116CC..EExtended strand (participates in β ladder)trans-88.9102.9173-177.3-8.6000108.9F94 T95 G96 I97 Q166 L172 H205D92-F94 PolarHBondContact O-N 2.85Å; D92-F94 WeakPolarHBondContact OD1-CB 3.37Å; D92-F94 PolarHBondContact OD1-N 2.87Å; D92-F94 VanDerWaalsContact OD1-N 3.11Å; D92-T95 WeakPolarHBondContact CB-OG1 3.33Å; D92-T95 PolarHBondContact O-N 3Å; D92-T95 PolarHBondContact OD1-N 2.92Å; D92-T95 WeakPolarHBondContact OD2-CG2 3.36Å; D92-T95 PolarHBondContact OD2-OG1 3.08Å; D92-G96 VanDerWaalsContact O-CA 3.3Å; D92-G96 WeakPolarHBondContact O-CA 3.46Å; D92-G96 PolarHBondContact O-N 3.29Å; D92-I97 PolarHBondContact N-O 2.84Å; D92-I97 PolarHBondContact O-N 2.92Å; D92-Q166 PolarHBondContact OD1-NE2 2.86Å; D92-L172 HydrophobicContact CB-CD1 4.27Å; D92-L172 HydrophobicContact CB-CD2 4Å; D92-H205 IonicContact OD1-CE1 3.64Å; D92-H205 IonicContact OD1-ND1 2.87Å; D92-H205 PolarHBondContact OD1-ND1 2.88Å; D92-H205 WeakPolarHBondContact OD2-CB 3.39Å; D92-H205 IonicContact OD2-CG 3.85Å; D92-H205 IonicContact OD2-ND1 3.62Å; D92-H205 PolarHBondContact OD2-ND1 2.81Å
93E95.8Very high98.2Very high125 Ų12522.1 Ų22.158%0.58411%0.109SC*.THydrogen-bonded Turntrans-65.4-28.2-177.9-63.1-161.914200112.7Y91Y91-E93 HydrophobicContact CD1-CG 3.77Å; Y91-E93 HydrophobicContact CE1-CB 4.37Å; Y91-E93 HydrophobicContact CE1-CG 3.88Å
94F96.4Very high98.3Very high136 Ų13621.5 Ų21.560%0.59611%0.106SC*.THydrogen-bonded Turntrans-73.2-40.7-179.4-69.6-81.8000112.1D92 H205D92-F94 PolarHBondContact O-N 2.85Å; D92-F94 WeakPolarHBondContact OD1-CB 3.37Å; D92-F94 PolarHBondContact OD1-N 2.87Å; D92-F94 VanDerWaalsContact OD1-N 3.11Å; F94-H205 AromaticContact CD2-CE1 3.97Å; F94-H205 AromaticContact CG-CE1 3.99Å
95T97.4Very high98.3Very high66 Ų6621.6 Ų21.641%0.40511%0.107SC..THydrogen-bonded Turntrans-96.5-18.5-178.963.60000113.3D92 I97 H205D92-T95 WeakPolarHBondContact CB-OG1 3.33Å; D92-T95 PolarHBondContact O-N 3Å; D92-T95 PolarHBondContact OD1-N 2.92Å; D92-T95 WeakPolarHBondContact OD2-CG2 3.36Å; D92-T95 PolarHBondContact OD2-OG1 3.08Å; T95-I97 WeakPolarHBondContact OG1-CG1 3.34Å; T95-I97 PolarHBondContact OG1-N 2.61Å; T95-H205 HydrophobicContact CG2-CB 3.69Å
96G97Very high98.3Very high8 Ų824.8 Ų24.88%0.08212%0.124CC..THydrogen-bonded Turntrans73.313.7-172.400000113.6D92D92-G96 VanDerWaalsContact O-CA 3.3Å; D92-G96 WeakPolarHBondContact O-CA 3.46Å; D92-G96 PolarHBondContact O-N 3.29Å
97I98.4Very high98.2Very high47 Ų4725.5 Ų25.524%0.24114%0.135CC..EExtended strand (participates in β ladder)trans-89.6126.6178.6-57.7-60.6000109.8D92 T95 F99 A130D92-I97 PolarHBondContact N-O 2.84Å; D92-I97 PolarHBondContact O-N 2.92Å; T95-I97 WeakPolarHBondContact OG1-CG1 3.34Å; T95-I97 PolarHBondContact OG1-N 2.61Å; I97-F99 HydrophobicContact CB-CE2 3.95Å; I97-F99 HydrophobicContact CB-CZ 4.32Å; I97-F99 HydrophobicContact CG2-CD2 3.95Å; I97-F99 HydrophobicContact CG2-CE1 4.11Å; I97-F99 HydrophobicContact CG2-CE2 3.47Å; I97-F99 VanDerWaalsContact CG2-CE2 3.47Å; I97-F99 HydrophobicContact CG2-CG 4.46Å; I97-F99 HydrophobicContact CG2-CZ 3.55Å; I97-A130 HydrophobicContact CD1-CB 3.79Å
98L98.7Very high98Very high0 Ų030.9 Ų30.90%016%0.16CC..EExtended strand (participates in β ladder)trans-90.7127.8168.2171.762.7000109L28 L37 Y91 S128 S129 W136L28-L98 HydrophobicContact CD2-CD1 3.31Å; L37-L98 HydrophobicContact CD1-CD2 3.28Å; Y91-L98 HydrophobicContact CD2-CB 4.13Å; L98-S128 CarbonylContact O-C 3.42Å; L98-S128 WeakPolarHBondContact O-CA 3.42Å; L98-S129 PolarHBondContact N-O 2.95Å; L98-S129 PolarHBondContact O-N 2.97Å; L98-W136 HydrophobicContact CD2-CH2 3.38Å; L98-W136 HydrophobicContact CD2-CZ2 3.86Å; L98-W136 HydrophobicContact CD2-CZ3 4.1Å; L98-W136 HydrophobicContact CG-CH2 3.75Å; L98-W136 HydrophobicContact CG-CZ3 4.07Å
99F98.9Very high97.9Very high9 Ų932.7 Ų32.74%0.03917%0.171CC..EExtended strand (participates in β ladder)trans-108.5138.2168.8-63-91.2000109.5P89 V90 I97 F101 Y126 L172P89-F99 CarbonylContact C-O 3.45Å; P89-F99 VanDerWaalsContact CA-O 3.29Å; P89-F99 WeakPolarHBondContact CA-O 3.36Å; V90-F99 HydrophobicContact CG1-CB 3.88Å; V90-F99 HydrophobicContact CG1-CD2 4.43Å; V90-F99 PolarHBondContact N-O 3Å; V90-F99 PolarHBondContact O-N 3.01Å; I97-F99 HydrophobicContact CB-CE2 3.95Å; I97-F99 HydrophobicContact CB-CZ 4.32Å; I97-F99 HydrophobicContact CG2-CD2 3.95Å; I97-F99 HydrophobicContact CG2-CE1 4.11Å; I97-F99 HydrophobicContact CG2-CE2 3.47Å; I97-F99 VanDerWaalsContact CG2-CE2 3.47Å; I97-F99 HydrophobicContact CG2-CG 4.46Å; I97-F99 HydrophobicContact CG2-CZ 3.55Å; F99-F101 HydrophobicContact CB-CD2 4.03Å; F99-F101 HydrophobicContact CB-CE2 3.6Å; F99-F101 HydrophobicContact CD1-CE2 4.45Å; F99-F101 HydrophobicContact CG-CE2 4.17Å; F99-Y126 AromaticContact CD1-CD2 3.63Å; F99-Y126 HydrophobicContact CD1-CD2 3.63Å; F99-Y126 AromaticContact CD1-CE2 3.75Å; F99-Y126 HydrophobicContact CD1-CE2 3.75Å; F99-Y126 HydrophobicContact CD1-CG 4.26Å; F99-Y126 HydrophobicContact CE1-CD2 4.18Å; F99-Y126 AromaticContact CE1-CE2 3.8Å; F99-Y126 HydrophobicContact CE1-CE2 3.8Å; F99-L172 HydrophobicContact CD2-CD1 4.32Å; F99-L172 HydrophobicContact CE2-CD1 4.12Å
100L98.9Very high97.8Very high0 Ų034.5 Ų34.50%018%0.183CC..EExtended strand (participates in β ladder)trans-115.8104.6164.4176.169.9000107.9F39 L54 L74 P87 P89 Y126 I127 W136F39-L100 HydrophobicContact CD1-CD1 4.07Å; F39-L100 HydrophobicContact CD1-CD2 3.87Å; F39-L100 HydrophobicContact CD2-CD1 4.4Å; F39-L100 HydrophobicContact CE1-CD1 4.2Å; F39-L100 HydrophobicContact CE1-CD2 3.84Å; F39-L100 HydrophobicContact CG-CD1 4.18Å; F39-L100 HydrophobicContact CZ-CD1 4.41Å; L54-L100 HydrophobicContact CD1-CD2 4.16Å; L74-L100 HydrophobicContact CD1-CD2 3.4Å; P87-L100 HydrophobicContact CB-CD1 3.92Å; P89-L100 HydrophobicContact CB-CD1 3.99Å; L100-Y126 CarbonylContact O-C 3.52Å; L100-Y126 WeakPolarHBondContact O-CA 3.5Å; L100-Y126 WeakPolarHBondContact O-CB 3.24Å; L100-I127 HydrophobicContact CB-CG1 3.95Å; L100-I127 HydrophobicContact CD2-CD1 4.11Å; L100-I127 HydrophobicContact CD2-CG1 4.22Å; L100-I127 PolarHBondContact N-O 3.3Å; L100-I127 PolarHBondContact O-N 2.88Å; L100-W136 HydrophobicContact CB-CH2 3.83Å; L100-W136 HydrophobicContact CB-CZ3 3.61Å
101F98.9Very high97.8Very high2 Ų238.2 Ų38.21%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-80151.2171.1-72.8-97.4000110.7C88 V90 F99 L124 C125 Y126 L142 L159 I174 W209C88-F101 HydrophobicContact CB-CB 4.17Å; C88-F101 PolarHBondContact N-O 3.26Å; C88-F101 WeakPolarHBondContact O-CB 3.43Å; C88-F101 PolarHBondContact O-N 2.82Å; V90-F101 HydrophobicContact CG1-CD2 4.31Å; V90-F101 HydrophobicContact CG1-CE2 4.09Å; F99-F101 HydrophobicContact CB-CD2 4.03Å; F99-F101 HydrophobicContact CB-CE2 3.6Å; F99-F101 HydrophobicContact CD1-CE2 4.45Å; F99-F101 HydrophobicContact CG-CE2 4.17Å; F101-L124 HydrophobicContact CD1-CD1 4.29Å; F101-C125 WeakPolarHBondContact CA-O 3.29Å; F101-Y126 AromaticContact CE1-CD1 3.89Å; F101-Y126 HydrophobicContact CE1-CD1 3.89Å; F101-Y126 HydrophobicContact CE1-CG 4.21Å; F101-Y126 HydrophobicContact CZ-CD1 4.09Å; F101-Y126 HydrophobicContact CZ-CG 4.22Å; F101-L142 HydrophobicContact CE1-CD1 3.89Å; F101-L159 HydrophobicContact CB-CD1 3.55Å; F101-L159 HydrophobicContact CG-CD1 4.49Å; F101-I174 HydrophobicContact CB-CG2 4.36Å; F101-I174 HydrophobicContact CD1-CG1 4.41Å; F101-I174 HydrophobicContact CD2-CD1 3.43Å; F101-I174 VanDerWaalsContact CD2-CD1 3.43Å; F101-I174 HydrophobicContact CD2-CG1 3.85Å; F101-I174 HydrophobicContact CE1-CG1 4.43Å; F101-I174 HydrophobicContact CE2-CD1 3.62Å; F101-I174 HydrophobicContact CE2-CG1 3.88Å; F101-I174 HydrophobicContact CG-CD1 4.12Å; F101-I174 HydrophobicContact CG-CG1 4.15Å; F101-I174 HydrophobicContact CG-CG2 4.32Å; F101-I174 HydrophobicContact CZ-CD1 4.43Å; F101-I174 HydrophobicContact CZ-CG1 4.2Å; F101-W209 HydrophobicContact CE1-CZ2 4.34Å; F101-W209 AromaticContact CE2-CH2 3.82Å; F101-W209 HydrophobicContact CE2-CH2 3.82Å; F101-W209 AromaticContact CE2-CZ2 3.82Å; F101-W209 HydrophobicContact CE2-CZ2 3.82Å; F101-W209 HydrophobicContact CZ-CD2 4.19Å; F101-W209 AromaticContact CZ-CE2 3.59Å; F101-W209 HydrophobicContact CZ-CE3 4.42Å; F101-W209 AromaticContact CZ-CH2 3.57Å; F101-W209 HydrophobicContact CZ-CH2 3.57Å; F101-W209 AromaticContact CZ-CZ2 3.29Å; F101-W209 HydrophobicContact CZ-CZ2 3.29Å; F101-W209 HydrophobicContact CZ-CZ3 4.14Å
102F98.9Very high97.6Very high0 Ų040.8 Ų40.80%022%0.222CC..EExtended strand (participates in β ladder)trans-158.4163.7175.363.3-80.6000110L54 A77 M85 A104 C125 I127 A139L54-F102 HydrophobicContact CD1-CB 3.69Å; L54-F102 HydrophobicContact CD1-CD1 4.43Å; L54-F102 HydrophobicContact CD1-CG 4.02Å; A77-F102 VanDerWaalsContact C-CZ 3.49Å; A77-F102 HydrophobicContact CB-CD1 4.39Å; A77-F102 HydrophobicContact CB-CE1 4Å; A77-F102 HydrophobicContact CB-CZ 4.18Å; M85-F102 WeakPolarHBondContact O-CB 3.44Å; F102-A104 HydrophobicContact CE2-CB 4.22Å; F102-C125 HydrophobicContact CD1-CB 4.05Å; F102-C125 HydrophobicContact CD2-CB 4Å; F102-C125 HydrophobicContact CE1-CB 3.59Å; F102-C125 HydrophobicContact CE2-CB 3.54Å; F102-C125 HydrophobicContact CG-CB 4.23Å; F102-C125 HydrophobicContact CZ-CB 3.31Å; F102-C125 PolarHBondContact N-O 3.07Å; F102-C125 PolarHBondContact O-N 3.01Å; F102-C125 VanDerWaalsContact O-O 3.06Å; F102-I127 HydrophobicContact CE1-CG2 4.3Å; F102-A139 HydrophobicContact CZ-CB 4.09Å
103I98.8Very high97.4Very high9 Ų946.3 Ų46.35%0.04624%0.243CC..EExtended strand (participates in β ladder)trans-98.4144.9165.967.3179.8000110.4S84 M85 N86 V105 T122 R123 F157 A158 L159S84-I103 WeakPolarHBondContact CA-O 3.5Å; M85-I103 HydrophobicContact CB-CD1 4.14Å; M85-I103 HydrophobicContact CB-CG1 3.72Å; M85-I103 PolarHBondContact N-O 2.97Å; M85-I103 PolarHBondContact O-N 3.02Å; N86-I103 HydrophobicContact CB-CG1 4.35Å; I103-V105 HydrophobicContact CD1-CG2 4.19Å; I103-V105 HydrophobicContact CG1-CG2 4.37Å; I103-T122 HydrophobicContact CB-CG2 3.89Å; I103-T122 HydrophobicContact CD1-CG2 4.22Å; I103-T122 HydrophobicContact CG2-CG2 4.17Å; I103-R123 CarbonylContact C-O 3.45Å; I103-R123 VanDerWaalsContact CA-O 3.25Å; I103-R123 WeakPolarHBondContact CA-O 3.38Å; I103-F157 HydrophobicContact CG2-CE2 4.25Å; I103-A158 HydrophobicContact CD1-CB 3.82Å; I103-L159 HydrophobicContact CG2-CD1 4.43Å; I103-L159 HydrophobicContact CG2-CG 3.95Å
104A98.7Very high97.5Very high0 Ų040.5 Ų40.50%022%0.216CC..EExtended strand (participates in β ladder)trans-116.9119.417100000109.4L79 H82 R83 F102 R123L79-A104 HydrophobicContact CB-CB 4.32Å; L79-A104 HydrophobicContact CD1-CB 3.99Å; L79-A104 HydrophobicContact CG-CB 4.13Å; H82-A104 HydrophobicContact CB-CB 3.87Å; R83-A104 CarbonylContact O-C 3.52Å; R83-A104 VanDerWaalsContact O-CA 3.29Å; R83-A104 WeakPolarHBondContact O-CA 3.45Å; F102-A104 HydrophobicContact CE2-CB 4.22Å; A104-R123 HydrophobicContact CB-CB 4.2Å; A104-R123 PolarHBondContact N-O 2.94Å; A104-R123 WeakPolarHBondContact O-CB 3.45Å; A104-R123 PolarHBondContact O-N 2.6Å
105V98.6Very high97.3Very high3 Ų335.7 Ų35.72%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-111.2132.7-177.1-171.80000109.9H82 R83 M85 I103 G107 V121 T122H82-V105 CarbonylContact C-O 3.57Å; H82-V105 VanDerWaalsContact CA-O 3.24Å; H82-V105 WeakPolarHBondContact CA-O 3.28Å; H82-V105 WeakPolarHBondContact CB-O 3.29Å; R83-V105 HydrophobicContact CG-CB 4.19Å; R83-V105 PolarHBondContact N-O 2.67Å; R83-V105 VanDerWaalsContact NH1-CG1 3.32Å; R83-V105 PolarHBondContact O-N 2.76Å; M85-V105 HydrophobicContact SD-CG2 4.45Å; I103-V105 HydrophobicContact CD1-CG2 4.19Å; I103-V105 HydrophobicContact CG1-CG2 4.37Å; V105-G107 PolarHBondContact O-N 3.21Å; V105-V121 HydrophobicContact CG1-CG2 4.16Å; V105-T122 HydrophobicContact CG2-CG2 4.11Å
106L98.2Very high97.1Very high79 Ų7937.4 Ų37.441%0.41421%0.207SC..EExtended strand (participates in β ladder)trans-60.2123.4-177.1-174.565.4000111.7H82 H108 T109 V121H82-L106 PolarHBondContact CD2-N 3.06Å; H82-L106 VanDerWaalsContact CD2-N 3.35Å; L106-H108 PolarHBondContact O-N 3.12Å; L106-T109 WeakPolarHBondContact O-CB 3.43Å; L106-T109 PolarHBondContact O-N 2.83Å; L106-T109 PolarHBondContact O-OG1 3.44Å; L106-V121 HydrophobicContact CB-CB 3.97Å; L106-V121 HydrophobicContact CB-CG2 4.1Å; L106-V121 PolarHBondContact N-O 3.36Å
107G96.2Very high96.8Very high30 Ų3040 Ų4031%0.30922%0.222SC..THydrogen-bonded Turntrans48.6-127.8179.700000113.4G81 R83 V105G81-G107 PolarHBondContact O-N 2.82Å; R83-G107 WeakPolarHBondContact CD-O 3.31Å; R83-G107 PolarHBondContact NH1-O 2.68Å; V105-G107 PolarHBondContact O-N 3.21Å
108H95.8Very high96.5Very high113 Ų11338.7 Ų38.752%0.52322%0.219SC..THydrogen-bonded Turntrans-108.318.5179.1-61.3-65.6000113.2S49 Q50 L106 S110S49-H108 PolarHBondContact O-ND1 2.81Å; Q50-H108 PolarHBondContact NE2-ND1 2.83Å; L106-H108 PolarHBondContact O-N 3.12Å; H108-S110 PolarHBondContact O-N 3.42Å; H108-S110 VanDerWaalsContact O-N 3.15Å
109T97.1Very high96.2Very high37 Ų3742.6 Ų42.623%0.22724%0.24CC..  trans-56.9120.1179.6-57.10000110.1R83 L106 Y113 Q114 V121R83-T109 PolarHBondContact NH1-O 3.41Å; R83-T109 PolarHBondContact NH2-O 3.33Å; L106-T109 WeakPolarHBondContact O-CB 3.43Å; L106-T109 PolarHBondContact O-N 2.83Å; L106-T109 PolarHBondContact O-OG1 3.44Å; T109-Y113 HydrophobicContact CG2-CD1 3.48Å; T109-Y113 VanDerWaalsContact CG2-CD1 3.48Å; T109-Y113 HydrophobicContact CG2-CE1 4.16Å; T109-Y113 HydrophobicContact CG2-CG 4.19Å; T109-Q114 HydrophobicContact CG2-CG 3.88Å; T109-V121 HydrophobicContact CG2-CG2 3.73Å
110S96.9Very high96.1Very high38 Ų3843.5 Ų43.527%0.26625%0.245SC..  trans-77.9155.3-17663.90000112H108 S112 Y113 Q114H108-S110 PolarHBondContact O-N 3.42Å; H108-S110 VanDerWaalsContact O-N 3.15Å; S110-S112 VanDerWaalsContact C-N 3.26Å; S110-S112 PolarHBondContact O-N 3.2Å; S110-S112 PolarHBondContact OG-OG 3.1Å; S110-Y113 PolarHBondContact O-N 3.41Å; S110-Y113 WeakPolarHBondContact OG-CB 3.45Å; S110-Y113 PolarHBondContact OG-N 3.37Å; S110-Y113 VanDerWaalsContact OG-N 3.12Å; S110-Q114 PolarHBondContact O-N 3.34Å
111E96.8Very high96.1Very high79 Ų7944.6 Ų44.637%0.36925%0.252SS..Hα-helixtrans-53.6-47.3169.2-168.7-171.66800110.3Y113 Q114 L115 T156 Y179E111-Y113 VanDerWaalsContact C-N 3.28Å; E111-Y113 PolarHBondContact O-N 3.03Å; E111-Q114 PolarHBondContact O-N 3.27Å; E111-Q114 VanDerWaalsContact O-N 3.08Å; E111-L115 HydrophobicContact CG-CD1 4.09Å; E111-L115 HydrophobicContact CG-CG 4.21Å; E111-L115 VanDerWaalsContact O-CG 3.31Å; E111-L115 WeakPolarHBondContact O-CG 3.42Å; E111-L115 PolarHBondContact O-N 3.37Å; E111-T156 HydrophobicContact CG-CG2 3.82Å; E111-Y179 HydrophobicContact CG-CE2 4.35Å; E111-Y179 PolarHBondContact OE1-OH 2.77Å; E111-Y179 WeakPolarHBondContact OE2-CE2 3.46Å; E111-Y179 PolarHBondContact OE2-OH 3.26Å
112S95.3Very high96.1Very high76 Ų7644.7 Ų44.753%0.53125%0.252SS..Hα-helixtrans-57.2-35.9179.158.50000114.2S110 V116S110-S112 VanDerWaalsContact C-N 3.26Å; S110-S112 PolarHBondContact O-N 3.2Å; S110-S112 PolarHBondContact OG-OG 3.1Å; S112-V116 VanDerWaalsContact O-CG2 3.27Å; S112-V116 WeakPolarHBondContact O-CG2 3.33Å; S112-V116 PolarHBondContact O-N 3.15Å; S112-V116 VanDerWaalsContact O-N 3.17Å
113Y94.8Very high96.1Very high115 Ų11548.6 Ų48.645%0.45127%0.267SS..Hα-helixtrans-65-51.7175.4175.2-91.7000110T109 S110 E111 L115 V116 T117 D119T109-Y113 HydrophobicContact CG2-CD1 3.48Å; T109-Y113 VanDerWaalsContact CG2-CD1 3.48Å; T109-Y113 HydrophobicContact CG2-CE1 4.16Å; T109-Y113 HydrophobicContact CG2-CG 4.19Å; S110-Y113 PolarHBondContact O-N 3.41Å; S110-Y113 WeakPolarHBondContact OG-CB 3.45Å; S110-Y113 PolarHBondContact OG-N 3.37Å; S110-Y113 VanDerWaalsContact OG-N 3.12Å; E111-Y113 VanDerWaalsContact C-N 3.28Å; E111-Y113 PolarHBondContact O-N 3.03Å; Y113-L115 VanDerWaalsContact C-N 3.29Å; Y113-L115 PolarHBondContact O-N 3.08Å; Y113-V116 PolarHBondContact O-N 2.86Å; Y113-T117 HydrophobicContact CD1-CG2 4.37Å; Y113-T117 HydrophobicContact CD2-CG2 4.07Å; Y113-T117 HydrophobicContact CE1-CG2 4.04Å; Y113-T117 HydrophobicContact CE2-CG2 3.71Å; Y113-T117 HydrophobicContact CG-CG2 4.4Å; Y113-T117 WeakPolarHBondContact O-CG2 3.25Å; Y113-T117 PolarHBondContact O-N 3.42Å; Y113-T117 PolarHBondContact O-OG1 2.88Å; Y113-D119 HydrophobicContact CE1-CB 4.38Å
114Q96.4Very high96.1Very high3 Ų348.2 Ų48.21%0.01427%0.265CS..Hα-helixtrans-60.1-38.9179.6-60.6-175.39000111.7T109 S110 E111 V116 G118 D119 V121 T122 A155 T156T109-Q114 HydrophobicContact CG2-CG 3.88Å; S110-Q114 PolarHBondContact O-N 3.34Å; E111-Q114 PolarHBondContact O-N 3.27Å; E111-Q114 VanDerWaalsContact O-N 3.08Å; Q114-V116 VanDerWaalsContact C-N 3.31Å; Q114-V116 PolarHBondContact O-N 2.88Å; Q114-G118 VanDerWaalsContact O-CA 3.27Å; Q114-G118 WeakPolarHBondContact O-CA 3.44Å; Q114-G118 PolarHBondContact O-N 3.48Å; Q114-D119 WeakPolarHBondContact CG-O 3.37Å; Q114-V121 HydrophobicContact CG-CG2 4.28Å; Q114-T122 PolarHBondContact NE2-OG1 3.35Å; Q114-T122 PolarHBondContact OE1-OG1 3.4Å; Q114-A155 WeakPolarHBondContact CB-O 3.47Å; Q114-T156 PolarHBondContact NE2-OG1 2.62Å
115L93.8Very high96.1Very high35 Ų3548.2 Ų48.218%0.18327%0.265CS..Hα-helixtrans-64.6-30.1175.1-67.3-179.1000114E111 Y113 A155 T156 Y179 L190E111-L115 HydrophobicContact CG-CD1 4.09Å; E111-L115 HydrophobicContact CG-CG 4.21Å; E111-L115 VanDerWaalsContact O-CG 3.31Å; E111-L115 WeakPolarHBondContact O-CG 3.42Å; E111-L115 PolarHBondContact O-N 3.37Å; Y113-L115 VanDerWaalsContact C-N 3.29Å; Y113-L115 PolarHBondContact O-N 3.08Å; L115-A155 HydrophobicContact CD2-CB 3.99Å; L115-T156 HydrophobicContact CD2-CG2 4.05Å; L115-Y179 HydrophobicContact CD1-CD1 4.47Å; L115-Y179 HydrophobicContact CD1-CE1 4.2Å; L115-Y179 HydrophobicContact CD2-CD1 3.52Å; L115-Y179 HydrophobicContact CD2-CD2 3.7Å; L115-Y179 HydrophobicContact CD2-CE1 4.04Å; L115-Y179 HydrophobicContact CD2-CE2 4.14Å; L115-Y179 HydrophobicContact CD2-CG 3.33Å; L115-L190 WeakPolarHBondContact O-CD2 3.41Å
116V91.5Very high96.1Very high103 Ų10349.6 Ų49.662%0.62427%0.27SS*.Hα-helixtrans-88.1-36.5-179.5169.70000111.4S112 Y113 Q114 L190S112-V116 VanDerWaalsContact O-CG2 3.27Å; S112-V116 WeakPolarHBondContact O-CG2 3.33Å; S112-V116 PolarHBondContact O-N 3.15Å; S112-V116 VanDerWaalsContact O-N 3.17Å; Y113-V116 PolarHBondContact O-N 2.86Å; Q114-V116 VanDerWaalsContact C-N 3.31Å; Q114-V116 PolarHBondContact O-N 2.88Å; V116-L190 WeakPolarHBondContact O-CB 3.31Å
117T90.9Very high96.1Very high63 Ų6345.9 Ų45.939%0.38725%0.251SS..Hα-helixtrans-93-25.1-175.661.40000113.4Y113 D119Y113-T117 HydrophobicContact CD1-CG2 4.37Å; Y113-T117 HydrophobicContact CD2-CG2 4.07Å; Y113-T117 HydrophobicContact CE1-CG2 4.04Å; Y113-T117 HydrophobicContact CE2-CG2 3.71Å; Y113-T117 HydrophobicContact CG-CG2 4.4Å; Y113-T117 WeakPolarHBondContact O-CG2 3.25Å; Y113-T117 PolarHBondContact O-N 3.42Å; Y113-T117 PolarHBondContact O-OG1 2.88Å; T117-D119 PolarHBondContact O-N 3.43Å; T117-D119 WeakPolarHBondContact OG1-CB 3.48Å; T117-D119 PolarHBondContact OG1-N 3.42Å; T117-D119 VanDerWaalsContact OG1-N 3.1Å
118G91.6Very high96.2Very high18 Ų1845.9 Ų45.919%0.18625%0.246CC..  trans69.710.5-166.500000113.4Q114 N120Q114-G118 VanDerWaalsContact O-CA 3.27Å; Q114-G118 WeakPolarHBondContact O-CA 3.44Å; Q114-G118 PolarHBondContact O-N 3.48Å; G118-N120 PolarHBondContact O-N 2.89Å
119D92.6Very high96.4Very high83 Ų8340.7 Ų40.744%0.44422%0.223SC..  trans-85.386.8178.4-172.427.4000110.1Y113 Q114 T117 V121Y113-D119 HydrophobicContact CE1-CB 4.38Å; Q114-D119 WeakPolarHBondContact CG-O 3.37Å; T117-D119 PolarHBondContact O-N 3.43Å; T117-D119 WeakPolarHBondContact OG1-CB 3.48Å; T117-D119 PolarHBondContact OG1-N 3.42Å; T117-D119 VanDerWaalsContact OG1-N 3.1Å; D119-V121 PolarHBondContact O-N 3.24Å
120N97.6Very high96.4Very high27 Ų2742.6 Ų42.614%0.14424%0.242CC..  trans-77.8113.1-177.3-170.6-13.5000111.1G118 T122 I151 W154 A155G118-N120 PolarHBondContact O-N 2.89Å; N120-T122 WeakPolarHBondContact OD1-CB 3.44Å; N120-T122 PolarHBondContact OD1-N 3.17Å; N120-T122 VanDerWaalsContact OD1-N 3.08Å; N120-I151 VanDerWaalsContact ND2-CD1 3.32Å; N120-I151 WeakPolarHBondContact ND2-CD1 3.47Å; N120-I151 PolarHBondContact ND2-O 2.83Å; N120-W154 WeakPolarHBondContact CB-O 3.32Å; N120-W154 PolarHBondContact ND2-O 2.87Å; N120-A155 WeakPolarHBondContact CA-O 3.34Å; N120-A155 VanDerWaalsContact CB-O 3.31Å; N120-A155 WeakPolarHBondContact CB-O 3.5Å
121V98.1Very high96.3Very high24 Ų2443.2 Ų43.215%0.14524%0.242CC..  trans-115.219.6-179.9-61.30000112.2V105 L106 T109 Q114 D119V105-V121 HydrophobicContact CG1-CG2 4.16Å; L106-V121 HydrophobicContact CB-CB 3.97Å; L106-V121 HydrophobicContact CB-CG2 4.1Å; L106-V121 PolarHBondContact N-O 3.36Å; T109-V121 HydrophobicContact CG2-CG2 3.73Å; Q114-V121 HydrophobicContact CG-CG2 4.28Å; D119-V121 PolarHBondContact O-N 3.24Å
122T98.7Very high96.2Very high3 Ų339.5 Ų39.52%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-91.6135.2-179-56.40000110.9I103 V105 Q114 N120 T156 F157I103-T122 HydrophobicContact CB-CG2 3.89Å; I103-T122 HydrophobicContact CD1-CG2 4.22Å; I103-T122 HydrophobicContact CG2-CG2 4.17Å; V105-T122 HydrophobicContact CG2-CG2 4.11Å; Q114-T122 PolarHBondContact NE2-OG1 3.35Å; Q114-T122 PolarHBondContact OE1-OG1 3.4Å; N120-T122 WeakPolarHBondContact OD1-CB 3.44Å; N120-T122 PolarHBondContact OD1-N 3.17Å; N120-T122 VanDerWaalsContact OD1-N 3.08Å; T122-T156 PolarHBondContact OG1-OG1 2.88Å; T122-T156 VanDerWaalsContact OG1-OG1 3.05Å; T122-F157 HydrophobicContact CG2-CD1 4.18Å; T122-F157 HydrophobicContact CG2-CE1 3.8Å; T122-F157 HydrophobicContact CG2-CZ 4Å; T122-F157 WeakPolarHBondContact O-CE1 3.43Å
123R98.8Very high96.3Very high82 Ų8236 Ų3631%0.30920%0.201SC..EExtended strand (participates in β ladder)trans-112.8141.1179-58.4-64.4-175.6148-13.8111.4L79 I103 A104 D141 T143 D144L79-R123 HydrophobicContact CD1-CB 4.06Å; L79-R123 HydrophobicContact CD1-CG 4.12Å; I103-R123 CarbonylContact C-O 3.45Å; I103-R123 VanDerWaalsContact CA-O 3.25Å; I103-R123 WeakPolarHBondContact CA-O 3.38Å; A104-R123 HydrophobicContact CB-CB 4.2Å; A104-R123 PolarHBondContact N-O 2.94Å; A104-R123 WeakPolarHBondContact O-CB 3.45Å; A104-R123 PolarHBondContact O-N 2.6Å; R123-D141 IonicContact NH1-OD2 2.82Å; R123-D141 PolarHBondContact NH1-OD2 2.83Å; R123-T143 VanDerWaalsContact CA-OG1 3.25Å; R123-T143 WeakPolarHBondContact CA-OG1 3.41Å; R123-T143 WeakPolarHBondContact CD-OG1 3.45Å; R123-D144 IonicContact NH1-OD2 3.8Å
124L98.8Very high96.3Very high1 Ų134.9 Ų34.91%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-92118.5172.5175.160.4000109.4F101 L142 T143 I147 F157 L159 F200F101-L124 HydrophobicContact CD1-CD1 4.29Å; L124-L142 HydrophobicContact CB-CB 4.46Å; L124-L142 HydrophobicContact CD2-CB 3.97Å; L124-L142 HydrophobicContact CD2-CD1 4.47Å; L124-L142 HydrophobicContact CG-CB 4.01Å; L124-L142 PolarHBondContact O-N 3.45Å; L124-T143 PolarHBondContact N-OG1 3.28Å; L124-I147 HydrophobicContact CB-CD1 4.09Å; L124-I147 HydrophobicContact CD2-CD1 4.3Å; L124-F157 HydrophobicContact CB-CE2 4Å; L124-F157 HydrophobicContact CB-CZ 3.87Å; L124-F157 HydrophobicContact CD1-CE2 4.48Å; L124-L159 HydrophobicContact CD1-CD1 3.74Å; L124-L159 HydrophobicContact CD1-CD2 3.81Å; L124-L159 HydrophobicContact CD1-CG 4.14Å; L124-F200 HydrophobicContact CD1-CE2 4.49Å; L124-F200 HydrophobicContact CD2-CD1 4.01Å; L124-F200 HydrophobicContact CD2-CD2 4.45Å; L124-F200 HydrophobicContact CD2-CE1 3.69Å; L124-F200 HydrophobicContact CD2-CE2 4.14Å; L124-F200 HydrophobicContact CD2-CG 4.4Å; L124-F200 HydrophobicContact CD2-CZ 3.76Å
125C98.8Very high96.3Very high0 Ų039.1 Ų39.10%023%0.229CC..EExtended strand (participates in β ladder)trans-130.1158.6-176.7-60.70000112.4L79 F101 F102 T140L79-C125 VanDerWaalsContact CD1-SG 3.56Å; F101-C125 WeakPolarHBondContact CA-O 3.29Å; F102-C125 HydrophobicContact CD1-CB 4.05Å; F102-C125 HydrophobicContact CD2-CB 4Å; F102-C125 HydrophobicContact CE1-CB 3.59Å; F102-C125 HydrophobicContact CE2-CB 3.54Å; F102-C125 HydrophobicContact CG-CB 4.23Å; F102-C125 HydrophobicContact CZ-CB 3.31Å; F102-C125 PolarHBondContact N-O 3.07Å; F102-C125 PolarHBondContact O-N 3.01Å; F102-C125 VanDerWaalsContact O-O 3.06Å; C125-T140 VanDerWaalsContact CA-O 3.25Å; C125-T140 WeakPolarHBondContact CA-O 3.15Å
126Y98.8Very high96.6Very high33 Ų3339.2 Ų39.213%0.12923%0.227CC..EExtended strand (participates in β ladder)trans-142.4158.2160.674.1-95.5000112.5F99 L100 F101 A139 T140 L142F99-Y126 AromaticContact CD1-CD2 3.63Å; F99-Y126 HydrophobicContact CD1-CD2 3.63Å; F99-Y126 AromaticContact CD1-CE2 3.75Å; F99-Y126 HydrophobicContact CD1-CE2 3.75Å; F99-Y126 HydrophobicContact CD1-CG 4.26Å; F99-Y126 HydrophobicContact CE1-CD2 4.18Å; F99-Y126 AromaticContact CE1-CE2 3.8Å; F99-Y126 HydrophobicContact CE1-CE2 3.8Å; L100-Y126 CarbonylContact O-C 3.52Å; L100-Y126 WeakPolarHBondContact O-CA 3.5Å; L100-Y126 WeakPolarHBondContact O-CB 3.24Å; F101-Y126 AromaticContact CE1-CD1 3.89Å; F101-Y126 HydrophobicContact CE1-CD1 3.89Å; F101-Y126 HydrophobicContact CE1-CG 4.21Å; F101-Y126 HydrophobicContact CZ-CD1 4.09Å; F101-Y126 HydrophobicContact CZ-CG 4.22Å; Y126-A139 WeakPolarHBondContact O-CA 3.47Å; Y126-T140 HydrophobicContact CD1-CG2 4.43Å; Y126-T140 HydrophobicContact CE1-CG2 3.69Å; Y126-T140 PolarHBondContact N-O 2.85Å; Y126-T140 PolarHBondContact O-N 3.28Å; Y126-L142 HydrophobicContact CD1-CD1 3.59Å; Y126-L142 HydrophobicContact CD1-CG 3.95Å; Y126-L142 HydrophobicContact CE1-CD1 3.75Å; Y126-L142 HydrophobicContact CE1-CD2 4.01Å; Y126-L142 HydrophobicContact CE1-CG 3.91Å
127I98.9Very high96.9Very high0 Ų035.9 Ų35.90%021%0.208CC..EExtended strand (participates in β ladder)trans-116.9157.2158.355.2167.5000109.2L74 T76 A77 L100 F102 W136 S137 A139L74-I127 HydrophobicContact CD2-CD1 4.43Å; T76-I127 WeakPolarHBondContact O-CG2 3.2Å; A77-I127 HydrophobicContact CB-CD1 3.68Å; A77-I127 HydrophobicContact CB-CG1 4.21Å; A77-I127 HydrophobicContact CB-CG2 4.38Å; L100-I127 HydrophobicContact CB-CG1 3.95Å; L100-I127 HydrophobicContact CD2-CD1 4.11Å; L100-I127 HydrophobicContact CD2-CG1 4.22Å; L100-I127 PolarHBondContact N-O 3.3Å; L100-I127 PolarHBondContact O-N 2.88Å; F102-I127 HydrophobicContact CE1-CG2 4.3Å; I127-W136 HydrophobicContact CB-CE3 4.16Å; I127-W136 HydrophobicContact CD1-CB 3.86Å; I127-W136 HydrophobicContact CD1-CD2 3.59Å; I127-W136 HydrophobicContact CD1-CE3 3.42Å; I127-W136 VanDerWaalsContact CD1-CE3 3.42Å; I127-W136 HydrophobicContact CD1-CG 3.81Å; I127-W136 HydrophobicContact CD1-CZ3 4.1Å; I127-W136 HydrophobicContact CG1-CD2 4.26Å; I127-W136 HydrophobicContact CG1-CE3 3.56Å; I127-W136 HydrophobicContact CG1-CZ3 4Å; I127-S137 VanDerWaalsContact CG2-O 3.29Å; I127-S137 WeakPolarHBondContact CG2-O 3.17Å; I127-A139 HydrophobicContact CG2-CB 4.26Å
128S98.8Very high97.3Very high30 Ų3037.7 Ų37.721%0.2122%0.221CC..EExtended strand (participates in β ladder)trans-130.5153.3-177.862.10000112.3L98 W136 S137L98-S128 CarbonylContact O-C 3.42Å; L98-S128 WeakPolarHBondContact O-CA 3.42Å; S128-W136 CarbonylContact O-C 3.53Å; S128-W136 WeakPolarHBondContact O-CA 3.49Å; S128-S137 PolarHBondContact N-OG 2.82Å; S128-S137 PolarHBondContact O-N 3.3Å; S128-S137 PolarHBondContact OG-OG 2.94Å; S128-S137 VanDerWaalsContact OG-OG 3.09Å
129S98.6Very high97.6Very high5 Ų538.2 Ų38.24%0.03522%0.223CC..EExtended strand (participates in β ladder)trans-137137.3179.3171.90000110.1L98 D131 G133 T135L98-S129 PolarHBondContact N-O 2.95Å; L98-S129 PolarHBondContact O-N 2.97Å; S129-D131 PolarHBondContact OG-N 2.93Å; S129-D131 PolarHBondContact OG-OD1 2.85Å; S129-G133 VanDerWaalsContact OG-CA 3.28Å; S129-G133 WeakPolarHBondContact OG-CA 3.43Å; S129-G133 PolarHBondContact OG-N 2.84Å; S129-T135 WeakPolarHBondContact CB-O 3.49Å; S129-T135 PolarHBondContact OG-O 3.27Å
130A97.2Very high97.9Very high76 Ų7636.7 Ų36.763%0.62822%0.217SC*.SBendtrans-107.61176.900000113.1I97I97-A130 HydrophobicContact CD1-CB 3.79Å
131D96.1Very high97.9Very high52 Ų5238.1 Ų38.128%0.27823%0.225SC..SBendtrans-121.924.9-174.260.811.4000112.7S129 D134 T135S129-D131 PolarHBondContact OG-N 2.93Å; S129-D131 PolarHBondContact OG-OD1 2.85Å; D131-D134 PolarHBondContact OD1-N 2.8Å; D131-T135 PolarHBondContact OD1-N 3.2Å; D131-T135 WeakPolarHBondContact OD2-CB 3.41Å; D131-T135 WeakPolarHBondContact OD2-CG2 3.48Å; D131-T135 PolarHBondContact OD2-N 3.29Å; D131-T135 VanDerWaalsContact OD2-N 3.14Å; D131-T135 PolarHBondContact OD2-OG1 2.87Å
132G94.3Very high98Very high1 Ų137.7 Ų37.71%0.0122%0.222CC..SBendtrans71.733178.400000113.2K58K58-G132 WeakPolarHBondContact CE-O 3.16Å; K58-G132 PolarHBondContact NZ-O 2.96Å
133G96.3Very high98Very high2 Ų237.7 Ų37.72%0.02122%0.222CC..SBendtrans84.618.617400000115M56 S129 W136M56-G133 WeakPolarHBondContact CE-O 3.35Å; S129-G133 VanDerWaalsContact OG-CA 3.28Å; S129-G133 WeakPolarHBondContact OG-CA 3.43Å; S129-G133 PolarHBondContact OG-N 2.84Å; G133-W136 PolarHBondContact O-NE1 3.08Å
134D95.6Very high97.9Very high91 Ų9139.3 Ų39.349%0.48724%0.236SC..SBendtrans-83.2-37.9175.4-71.1-38.5000111.4K58 D131K58-D134 IonicContact NZ-OD1 3.89Å; K58-D134 PolarHBondContact NZ-OD1 2.92Å; K58-D134 IonicContact NZ-OD2 3.8Å; K58-D134 PolarHBondContact NZ-OD2 3.14Å; D131-D134 PolarHBondContact OD1-N 2.8Å
135T97.4Very high97.9Very high92 Ų9244.6 Ų44.656%0.56427%0.269SS*.SBendtrans-127.8154.6170.769.40000111.6S129 D131S129-T135 WeakPolarHBondContact CB-O 3.49Å; S129-T135 PolarHBondContact OG-O 3.27Å; D131-T135 PolarHBondContact OD1-N 3.2Å; D131-T135 WeakPolarHBondContact OD2-CB 3.41Å; D131-T135 WeakPolarHBondContact OD2-CG2 3.48Å; D131-T135 PolarHBondContact OD2-N 3.29Å; D131-T135 VanDerWaalsContact OD2-N 3.14Å; D131-T135 PolarHBondContact OD2-OG1 2.87Å
136W98.6Very high97.9Very high38 Ų3845.5 Ų45.514%0.14427%0.274CS..  trans-133.6141.2-172.8-65.290.9000111.6F39 M56 L74 T76 L98 L100 I127 S128 G133F39-W136 HydrophobicContact CE1-CH2 4.07Å; F39-W136 AromaticContact CE1-CZ2 3.85Å; F39-W136 HydrophobicContact CE1-CZ2 3.85Å; F39-W136 AromaticContact CZ-CH2 3.94Å; F39-W136 HydrophobicContact CZ-CH2 3.94Å; F39-W136 AromaticContact CZ-CZ2 3.93Å; F39-W136 HydrophobicContact CZ-CZ2 3.93Å; M56-W136 HydrophobicContact SD-CZ2 4.05Å; L74-W136 HydrophobicContact CD2-CD2 4.36Å; L74-W136 HydrophobicContact CD2-CG 4.25Å; L74-W136 HydrophobicContact CD2-CZ2 4.43Å; T76-W136 WeakPolarHBondContact OG1-CB 3.13Å; L98-W136 HydrophobicContact CD2-CH2 3.38Å; L98-W136 HydrophobicContact CD2-CZ2 3.86Å; L98-W136 HydrophobicContact CD2-CZ3 4.1Å; L98-W136 HydrophobicContact CG-CH2 3.75Å; L98-W136 HydrophobicContact CG-CZ3 4.07Å; L100-W136 HydrophobicContact CB-CH2 3.83Å; L100-W136 HydrophobicContact CB-CZ3 3.61Å; I127-W136 HydrophobicContact CB-CE3 4.16Å; I127-W136 HydrophobicContact CD1-CB 3.86Å; I127-W136 HydrophobicContact CD1-CD2 3.59Å; I127-W136 HydrophobicContact CD1-CE3 3.42Å; I127-W136 VanDerWaalsContact CD1-CE3 3.42Å; I127-W136 HydrophobicContact CD1-CG 3.81Å; I127-W136 HydrophobicContact CD1-CZ3 4.1Å; I127-W136 HydrophobicContact CG1-CD2 4.26Å; I127-W136 HydrophobicContact CG1-CE3 3.56Å; I127-W136 HydrophobicContact CG1-CZ3 4Å; S128-W136 CarbonylContact O-C 3.53Å; S128-W136 WeakPolarHBondContact O-CA 3.49Å; G133-W136 PolarHBondContact O-NE1 3.08Å
137S98.7Very high97.9Very high32 Ų3244.1 Ų44.122%0.22427%0.269CS..PPolyproline II helixtrans-65.7163.6172.973.10000111.7T76 I127 S128T76-S137 WeakPolarHBondContact CB-O 3.35Å; T76-S137 PolarHBondContact OG1-O 2.85Å; I127-S137 VanDerWaalsContact CG2-O 3.29Å; I127-S137 WeakPolarHBondContact CG2-O 3.17Å; S128-S137 PolarHBondContact N-OG 2.82Å; S128-S137 PolarHBondContact O-N 3.3Å; S128-S137 PolarHBondContact OG-OG 2.94Å; S128-S137 VanDerWaalsContact OG-OG 3.09Å
138P98.6Very high97.8Very high102 Ų10245.3 Ų45.366%0.66228%0.282SS*.PPolyproline II helixtrans-57156161.9-2334.7000112.3
139A98.6Very high97.7Very high28 Ų2846.7 Ų46.723%0.23130%0.301CS..PPolyproline II helixtrans-61.9133.3175.600000111.6T76 L79 F102 Y126 I127T76-A139 WeakPolarHBondContact O-CB 3.48Å; T76-A139 PolarHBondContact O-N 2.84Å; L79-A139 HydrophobicContact CD2-CB 4.17Å; F102-A139 HydrophobicContact CZ-CB 4.09Å; Y126-A139 WeakPolarHBondContact O-CA 3.47Å; I127-A139 HydrophobicContact CG2-CB 4.26Å
140T98.7Very high97.7Very high52 Ų5248.9 Ų48.932%0.31931%0.314SS..EExtended strand (participates in β ladder)trans-106.1119.5170.4-58.60000108.6C125 Y126 L142C125-T140 VanDerWaalsContact CA-O 3.25Å; C125-T140 WeakPolarHBondContact CA-O 3.15Å; Y126-T140 HydrophobicContact CD1-CG2 4.43Å; Y126-T140 HydrophobicContact CE1-CG2 3.69Å; Y126-T140 PolarHBondContact N-O 2.85Å; Y126-T140 PolarHBondContact O-N 3.28Å; T140-L142 HydrophobicContact CG2-CD2 4.14Å
141D98.7Very high97.7Very high57 Ų5746.8 Ų46.831%0.30529%0.292SS..EExtended strand (participates in β ladder)trans-85.8120.1173.3-173.8-13.3000109.6R123 T143R123-D141 IonicContact NH1-OD2 2.82Å; R123-D141 PolarHBondContact NH1-OD2 2.83Å; D141-T143 WeakPolarHBondContact OD1-CB 3.34Å; D141-T143 PolarHBondContact OD1-N 3.5Å; D141-T143 PolarHBondContact OD1-OG1 3.29Å
142L98.6Very high97.6Very high14 Ų1451.3 Ų51.37%0.07331%0.309CS..  trans-102.5-1-179.4-70.7-176000113.2F101 L124 Y126 T140 D144 T145 V146 W209F101-L142 HydrophobicContact CE1-CD1 3.89Å; L124-L142 HydrophobicContact CB-CB 4.46Å; L124-L142 HydrophobicContact CD2-CB 3.97Å; L124-L142 HydrophobicContact CD2-CD1 4.47Å; L124-L142 HydrophobicContact CG-CB 4.01Å; L124-L142 PolarHBondContact O-N 3.45Å; Y126-L142 HydrophobicContact CD1-CD1 3.59Å; Y126-L142 HydrophobicContact CD1-CG 3.95Å; Y126-L142 HydrophobicContact CE1-CD1 3.75Å; Y126-L142 HydrophobicContact CE1-CD2 4.01Å; Y126-L142 HydrophobicContact CE1-CG 3.91Å; T140-L142 HydrophobicContact CG2-CD2 4.14Å; L142-D144 PolarHBondContact O-N 3.14Å; L142-T145 PolarHBondContact O-N 2.71Å; L142-T145 PolarHBondContact O-OG1 3.37Å; L142-V146 HydrophobicContact CB-CB 4.42Å; L142-V146 HydrophobicContact CB-CG2 3.8Å; L142-V146 HydrophobicContact CD1-CG2 4.29Å; L142-V146 HydrophobicContact CD2-CG2 4.14Å; L142-V146 HydrophobicContact CG-CG2 4.32Å; L142-V146 VanDerWaalsContact O-CB 3.27Å; L142-V146 WeakPolarHBondContact O-CB 3.49Å; L142-V146 WeakPolarHBondContact O-CG2 3.27Å; L142-V146 PolarHBondContact O-N 3.16Å; L142-W209 HydrophobicContact CD1-CG 4.11Å
143T98.6Very high97.7Very high4 Ų455.3 Ų55.33%0.02533%0.33CS..Iπ-helixtrans-57.1-52.7-170.7-47.90000111.3R123 L124 D141 I147 G148 I151R123-T143 VanDerWaalsContact CA-OG1 3.25Å; R123-T143 WeakPolarHBondContact CA-OG1 3.41Å; R123-T143 WeakPolarHBondContact CD-OG1 3.45Å; L124-T143 PolarHBondContact N-OG1 3.28Å; D141-T143 WeakPolarHBondContact OD1-CB 3.34Å; D141-T143 PolarHBondContact OD1-N 3.5Å; D141-T143 PolarHBondContact OD1-OG1 3.29Å; T143-I147 HydrophobicContact CG2-CD1 4.39Å; T143-I147 WeakPolarHBondContact O-CA 3.49Å; T143-I147 WeakPolarHBondContact O-CB 3.47Å; T143-I147 PolarHBondContact O-N 2.85Å; T143-G148 PolarHBondContact O-N 2.85Å; T143-I151 HydrophobicContact CG2-CD1 4.22Å; T143-I151 HydrophobicContact CG2-CG1 4.45Å
144D98.1Very high97.8Very high115 Ų11555.4 Ų55.462%0.61533%0.33SS*.Iπ-helixtrans-74.6-33.2-175.3-64.3-34.6000112.6R123 L142 G148R123-D144 IonicContact NH1-OD2 3.8Å; L142-D144 PolarHBondContact O-N 3.14Å; D144-G148 WeakPolarHBondContact O-CA 3.49Å
145T97.9Very high97.9Very high112 Ų11251.1 Ų51.169%0.68731%0.307SS*.Iπ-helixtrans-82.5-29.2-175.7540000113.3L142L142-T145 PolarHBondContact O-N 2.71Å; L142-T145 PolarHBondContact O-OG1 3.37Å
146V98.3Very high97.9Very high19 Ų1947 Ų4712%0.11528%0.282CS..Iπ-helixtrans-105.8-49-175.7-1780000111.8L142 F200 W209 F211L142-V146 HydrophobicContact CB-CB 4.42Å; L142-V146 HydrophobicContact CB-CG2 3.8Å; L142-V146 HydrophobicContact CD1-CG2 4.29Å; L142-V146 HydrophobicContact CD2-CG2 4.14Å; L142-V146 HydrophobicContact CG-CG2 4.32Å; L142-V146 VanDerWaalsContact O-CB 3.27Å; L142-V146 WeakPolarHBondContact O-CB 3.49Å; L142-V146 WeakPolarHBondContact O-CG2 3.27Å; L142-V146 PolarHBondContact O-N 3.16Å; V146-F200 HydrophobicContact CG1-CD1 3.75Å; V146-F200 HydrophobicContact CG1-CE1 3.9Å; V146-W209 HydrophobicContact CG1-CB 4.09Å; V146-W209 HydrophobicContact CG2-CB 3.67Å; V146-F211 HydrophobicContact CG1-CD1 4.3Å; V146-F211 WeakPolarHBondContact O-CE1 3.34Å
147I98.5Very high97.9Very high4 Ų445.3 Ų45.32%0.02128%0.276CS..Iπ-helixtrans-87.7-41.6-177.5-56.1166.1000110.2L124 T143 G149 T150 I151 W154 F157 F200L124-I147 HydrophobicContact CB-CD1 4.09Å; L124-I147 HydrophobicContact CD2-CD1 4.3Å; T143-I147 HydrophobicContact CG2-CD1 4.39Å; T143-I147 WeakPolarHBondContact O-CA 3.49Å; T143-I147 WeakPolarHBondContact O-CB 3.47Å; T143-I147 PolarHBondContact O-N 2.85Å; I147-G149 PolarHBondContact O-N 2.93Å; I147-T150 WeakPolarHBondContact O-CB 3.21Å; I147-T150 PolarHBondContact O-N 2.97Å; I147-I151 HydrophobicContact CD1-CD1 4.25Å; I147-I151 HydrophobicContact CG2-CB 3.82Å; I147-I151 HydrophobicContact CG2-CD1 3.93Å; I147-I151 HydrophobicContact CG2-CG1 4.47Å; I147-W154 HydrophobicContact CB-CZ3 4.39Å; I147-W154 HydrophobicContact CD1-CZ3 3.88Å; I147-W154 HydrophobicContact CG1-CH2 4.35Å; I147-W154 HydrophobicContact CG1-CZ3 3.97Å; I147-W154 HydrophobicContact CG2-CE3 3.97Å; I147-W154 HydrophobicContact CG2-CH2 3.87Å; I147-W154 HydrophobicContact CG2-CZ3 3.49Å; I147-W154 VanDerWaalsContact CG2-CZ3 3.49Å; I147-F157 HydrophobicContact CD1-CD1 4.46Å; I147-F157 HydrophobicContact CD1-CE1 3.82Å; I147-F157 HydrophobicContact CD1-CE2 3.9Å; I147-F157 HydrophobicContact CD1-CZ 3.5Å; I147-F157 VanDerWaalsContact CD1-CZ 3.5Å; I147-F200 HydrophobicContact CD1-CE1 4.39Å; I147-F200 HydrophobicContact CD1-CZ 4.12Å; I147-F200 HydrophobicContact CG1-CE1 3.92Å; I147-F200 HydrophobicContact CG1-CZ 4.12Å
148G98.1Very high97.9Very high26 Ų2644 Ų4427%0.26827%0.267SS..G310 helixtrans54.9-133.6175.600000112.8T143 D144 T150 I151T143-G148 PolarHBondContact O-N 2.85Å; D144-G148 WeakPolarHBondContact O-CA 3.49Å; G148-T150 PolarHBondContact O-N 2.88Å; G148-I151 WeakPolarHBondContact O-CG2 3.27Å; G148-I151 PolarHBondContact O-N 3.46Å
149G97.3Very high97.9Very high59 Ų5939.2 Ų39.261%0.60824%0.235SC*.G310 helixtrans-62.6-27.1-176.700000114.8I147 I151 K152I147-G149 PolarHBondContact O-N 2.93Å; G149-I151 PolarHBondContact O-N 2.92Å; G149-I151 VanDerWaalsContact O-N 3.14Å; G149-K152 PolarHBondContact O-N 3.41Å
150T97.3Very high97.6Very high51 Ų5137.9 Ų37.931%0.31322%0.224SC..G310 helixtrans-62.3-20.7-179-54.10000112.5I147 G148 K152 D153 W154 F211I147-T150 WeakPolarHBondContact O-CB 3.21Å; I147-T150 PolarHBondContact O-N 2.97Å; G148-T150 PolarHBondContact O-N 2.88Å; T150-K152 PolarHBondContact O-N 2.81Å; T150-D153 WeakPolarHBondContact O-CB 3.31Å; T150-D153 PolarHBondContact O-N 3.49Å; T150-W154 HydrophobicContact CG2-CZ2 3.8Å; T150-F211 HydrophobicContact CG2-CE2 4.48Å; T150-F211 HydrophobicContact CG2-CZ 4.09Å
151I97.4Very high97.6Very high31 Ų3135.4 Ų35.416%0.15921%0.21CC..G310 helixtrans-55.2-28.7176.8-163.467.7000112.3N120 T143 I147 G148 G149 D153 W154 F157N120-I151 VanDerWaalsContact ND2-CD1 3.32Å; N120-I151 WeakPolarHBondContact ND2-CD1 3.47Å; N120-I151 PolarHBondContact ND2-O 2.83Å; T143-I151 HydrophobicContact CG2-CD1 4.22Å; T143-I151 HydrophobicContact CG2-CG1 4.45Å; I147-I151 HydrophobicContact CD1-CD1 4.25Å; I147-I151 HydrophobicContact CG2-CB 3.82Å; I147-I151 HydrophobicContact CG2-CD1 3.93Å; I147-I151 HydrophobicContact CG2-CG1 4.47Å; G148-I151 WeakPolarHBondContact O-CG2 3.27Å; G148-I151 PolarHBondContact O-N 3.46Å; G149-I151 PolarHBondContact O-N 2.92Å; G149-I151 VanDerWaalsContact O-N 3.14Å; I151-D153 VanDerWaalsContact C-N 3.27Å; I151-D153 PolarHBondContact O-N 2.98Å; I151-W154 HydrophobicContact CD1-CE3 4.28Å; I151-W154 PolarHBondContact O-N 2.92Å; I151-W154 VanDerWaalsContact O-O 3.05Å; I151-F157 HydrophobicContact CD1-CD1 3.86Å; I151-F157 HydrophobicContact CD1-CE1 3.57Å
152K95.2Very high97.5Very high148 Ų14832.7 Ų32.764%0.64320%0.195SC*.G310 helixtrans-71-23179-65.7179.6-178.8176.60112.8G149 T150 W154 R184G149-K152 PolarHBondContact O-N 3.41Å; T150-K152 PolarHBondContact O-N 2.81Å; K152-W154 VanDerWaalsContact C-N 3.29Å; K152-R184 PolarHBondContact O-NH2 3.23Å
153D95.8Very high97.6Very high84 Ų8432.9 Ų32.945%0.44920%0.195SC..G310 helixtrans-87.9-4.6179.9-58.5-37.4000111.9T150 I151 I181 R184T150-D153 WeakPolarHBondContact O-CB 3.31Å; T150-D153 PolarHBondContact O-N 3.49Å; I151-D153 VanDerWaalsContact C-N 3.27Å; I151-D153 PolarHBondContact O-N 2.98Å; D153-I181 PolarHBondContact O-N 2.89Å; D153-R184 IonicContact OD1-NH2 2.72Å
154W97.7Very high97.6Very high5 Ų532.9 Ų32.92%0.01920%0.196CC..EExtended strand (participates in β ladder)trans-110.8128176.8-57-16.5000109.5N120 I147 T150 I151 K152 T156 F157 A178 Y179 H180 F198 F211N120-W154 WeakPolarHBondContact CB-O 3.32Å; N120-W154 PolarHBondContact ND2-O 2.87Å; I147-W154 HydrophobicContact CB-CZ3 4.39Å; I147-W154 HydrophobicContact CD1-CZ3 3.88Å; I147-W154 HydrophobicContact CG1-CH2 4.35Å; I147-W154 HydrophobicContact CG1-CZ3 3.97Å; I147-W154 HydrophobicContact CG2-CE3 3.97Å; I147-W154 HydrophobicContact CG2-CH2 3.87Å; I147-W154 HydrophobicContact CG2-CZ3 3.49Å; I147-W154 VanDerWaalsContact CG2-CZ3 3.49Å; T150-W154 HydrophobicContact CG2-CZ2 3.8Å; I151-W154 HydrophobicContact CD1-CE3 4.28Å; I151-W154 PolarHBondContact O-N 2.92Å; I151-W154 VanDerWaalsContact O-O 3.05Å; K152-W154 VanDerWaalsContact C-N 3.29Å; W154-T156 VanDerWaalsContact C-N 3.31Å; W154-F157 HydrophobicContact CE3-CB 3.91Å; W154-F157 AromaticContact CE3-CD1 3.96Å; W154-F157 HydrophobicContact CE3-CD1 3.96Å; W154-F157 HydrophobicContact CE3-CG 4.01Å; W154-F157 HydrophobicContact CZ3-CB 4.29Å; W154-F157 HydrophobicContact CZ3-CD1 4.31Å; W154-F157 HydrophobicContact CZ3-CG 4.15Å; W154-A178 HydrophobicContact CB-CB 4.31Å; W154-A178 HydrophobicContact CD2-CB 3.57Å; W154-A178 HydrophobicContact CE3-CB 3.99Å; W154-A178 HydrophobicContact CG-CB 3.7Å; W154-A178 HydrophobicContact CZ2-CB 4.38Å; W154-Y179 CarbonylContact C-O 3.5Å; W154-Y179 WeakPolarHBondContact CA-O 3.43Å; W154-H180 AromaticContact CD1-CE1 3.96Å; W154-H180 AromaticContact CD1-ND1 3.85Å; W154-H180 AromaticContact NE1-CE1 3.41Å; W154-H180 PolarHBondContact NE1-CE1 3.48Å; W154-H180 AromaticContact NE1-ND1 3.71Å; W154-H180 AromaticContact NE1-NE2 3.96Å; W154-F198 HydrophobicContact CH2-CE1 4.36Å; W154-F198 HydrophobicContact CH2-CE2 4.3Å; W154-F198 AromaticContact CH2-CZ 3.73Å; W154-F198 HydrophobicContact CH2-CZ 3.73Å; W154-F198 HydrophobicContact CZ2-CZ 4.31Å; W154-F198 HydrophobicContact CZ3-CZ 4.18Å; W154-F211 HydrophobicContact CH2-CD2 4.35Å; W154-F211 HydrophobicContact CH2-CE2 4.12Å; W154-F211 HydrophobicContact CH2-CZ 4.25Å; W154-F211 HydrophobicContact CZ2-CD2 4.36Å; W154-F211 AromaticContact CZ2-CE2 3.88Å; W154-F211 HydrophobicContact CZ2-CE2 3.88Å; W154-F211 HydrophobicContact CZ2-CZ 4.22Å
155A97.3Very high97.6Very high0 Ų028.6 Ų28.60%017%0.173CC..EExtended strand (participates in β ladder)trans-65.7-39.9171.300000110.7Q114 L115 N120 Y179 I181 T193Q114-A155 WeakPolarHBondContact CB-O 3.47Å; L115-A155 HydrophobicContact CD2-CB 3.99Å; N120-A155 WeakPolarHBondContact CA-O 3.34Å; N120-A155 VanDerWaalsContact CB-O 3.31Å; N120-A155 WeakPolarHBondContact CB-O 3.5Å; A155-Y179 PolarHBondContact N-O 3.02Å; A155-I181 HydrophobicContact CB-CD1 4.27Å; A155-I181 HydrophobicContact CB-CG1 4Å; A155-T193 HydrophobicContact CB-CG2 3.85Å
156T98.5Very high97.6Very high7 Ų725.2 Ų25.24%0.04315%0.149CC..EExtended strand (participates in β ladder)trans-165.2168.9169.5-171.70000108.6E111 Q114 L115 T122 W154 Y179E111-T156 HydrophobicContact CG-CG2 3.82Å; Q114-T156 PolarHBondContact NE2-OG1 2.62Å; L115-T156 HydrophobicContact CD2-CG2 4.05Å; T122-T156 PolarHBondContact OG1-OG1 2.88Å; T122-T156 VanDerWaalsContact OG1-OG1 3.05Å; W154-T156 VanDerWaalsContact C-N 3.31Å; T156-Y179 HydrophobicContact CG2-CD2 3.59Å; T156-Y179 HydrophobicContact CG2-CE2 4.06Å; T156-Y179 HydrophobicContact CG2-CG 4.47Å; T156-Y179 PolarHBondContact O-N 3.15Å
157F98.8Very high97.5Very high2 Ų224.8 Ų24.81%0.00915%0.146CC..EExtended strand (participates in β ladder)trans-143.7166.4174.673.3-80.9000110.4I103 T122 L124 I147 I151 W154 Y177 A178I103-F157 HydrophobicContact CG2-CE2 4.25Å; T122-F157 HydrophobicContact CG2-CD1 4.18Å; T122-F157 HydrophobicContact CG2-CE1 3.8Å; T122-F157 HydrophobicContact CG2-CZ 4Å; T122-F157 WeakPolarHBondContact O-CE1 3.43Å; L124-F157 HydrophobicContact CB-CE2 4Å; L124-F157 HydrophobicContact CB-CZ 3.87Å; L124-F157 HydrophobicContact CD1-CE2 4.48Å; I147-F157 HydrophobicContact CD1-CD1 4.46Å; I147-F157 HydrophobicContact CD1-CE1 3.82Å; I147-F157 HydrophobicContact CD1-CE2 3.9Å; I147-F157 HydrophobicContact CD1-CZ 3.5Å; I147-F157 VanDerWaalsContact CD1-CZ 3.5Å; I151-F157 HydrophobicContact CD1-CD1 3.86Å; I151-F157 HydrophobicContact CD1-CE1 3.57Å; W154-F157 HydrophobicContact CE3-CB 3.91Å; W154-F157 AromaticContact CE3-CD1 3.96Å; W154-F157 HydrophobicContact CE3-CD1 3.96Å; W154-F157 HydrophobicContact CE3-CG 4.01Å; W154-F157 HydrophobicContact CZ3-CB 4.29Å; W154-F157 HydrophobicContact CZ3-CD1 4.31Å; W154-F157 HydrophobicContact CZ3-CG 4.15Å; F157-Y177 CarbonylContact C-O 3.57Å; F157-Y177 VanDerWaalsContact CA-O 3.24Å; F157-Y177 WeakPolarHBondContact CA-O 3.2Å; F157-Y177 VanDerWaalsContact CB-O 3.28Å; F157-Y177 WeakPolarHBondContact CB-O 3.3Å; F157-A178 HydrophobicContact CB-CB 3.88Å
158A98.7Very high97.3Very high5 Ų531.9 Ų31.94%0.04118%0.177CC..EExtended strand (participates in β ladder)trans-152.6169.5171.100000112.3I103 A176 Y177I103-A158 HydrophobicContact CD1-CB 3.82Å; A158-A176 VanDerWaalsContact O-CA 3.31Å; A158-A176 WeakPolarHBondContact O-CA 3.31Å; A158-A176 WeakPolarHBondContact O-CB 3.29Å; A158-Y177 HydrophobicContact CB-CD1 4.37Å; A158-Y177 HydrophobicContact CB-CE1 3.55Å; A158-Y177 PolarHBondContact N-O 2.85Å; A158-Y177 PolarHBondContact O-N 2.91Å
159L97.4Very high97.2Very high0 Ų034.6 Ų34.60%019%0.192CC..EExtended strand (participates in β ladder)trans-103.7152.3180-57.6-178.6000111.4N86 C88 F101 I103 L124 P161 I174 A176 F200N86-L159 WeakPolarHBondContact CB-O 3.25Å; N86-L159 PolarHBondContact ND2-O 2.87Å; C88-L159 HydrophobicContact CB-CB 4.24Å; C88-L159 HydrophobicContact CB-CD1 4.48Å; F101-L159 HydrophobicContact CB-CD1 3.55Å; F101-L159 HydrophobicContact CG-CD1 4.49Å; I103-L159 HydrophobicContact CG2-CD1 4.43Å; I103-L159 HydrophobicContact CG2-CG 3.95Å; L124-L159 HydrophobicContact CD1-CD1 3.74Å; L124-L159 HydrophobicContact CD1-CD2 3.81Å; L124-L159 HydrophobicContact CD1-CG 4.14Å; L159-P161 WeakPolarHBondContact O-CA 3.24Å; L159-I174 HydrophobicContact CD1-CG2 4.3Å; L159-I174 HydrophobicContact CD2-CG2 3.96Å; L159-A176 HydrophobicContact CD2-CB 3.98Å; L159-F200 HydrophobicContact CD2-CD2 3.88Å; L159-F200 HydrophobicContact CD2-CE2 3.72Å
160G93.4Very high97.2Very high0 Ų031.9 Ų31.90%016%0.164CC..  trans36.1-107.3174.700000111.9P175 E222 C223G160-P175 PolarHBondContact N-O 3.42Å; G160-E222 WeakPolarHBondContact O-CA 3.24Å; G160-E222 VanDerWaalsContact O-CB 3.25Å; G160-E222 WeakPolarHBondContact O-CB 3.33Å; G160-C223 PolarHBondContact O-N 3.05Å
161P97.3Very high97.2Very high1 Ų131.1 Ų31.11%0.00616%0.156CC..SBendcis-75.3-178.3-2.131.4-38.3000112.4V24 N86 L159 Q224 H277 Y368V24-P161 HydrophobicContact CG1-CB 3.34Å; V24-P161 HydrophobicContact CG1-CG 3.64Å; N86-P161 HydrophobicContact CB-CB 4.43Å; L159-P161 WeakPolarHBondContact O-CA 3.24Å; P161-Q224 PolarHBondContact O-NE2 2.88Å; P161-Q224 VanDerWaalsContact O-NE2 3.15Å; P161-H277 PolarHBondContact O-NE2 2.84Å; P161-Y368 HydrophobicContact CG-CD2 3.81Å; P161-Y368 HydrophobicContact CG-CE2 3.88Å
162G98.5Very high97.3Very high0 Ų029.7 Ų29.70%015%0.148CC..SBendtrans90.1-168-176.900000112.5P87 C88 D370P87-G162 PolarHBondContact O-N 3.04Å; C88-G162 WeakPolarHBondContact CA-O 3.48Å; C88-G162 WeakPolarHBondContact CB-O 3.47Å; C88-G162 PolarHBondContact SG-O 3.31Å; G162-D370 VanDerWaalsContact CA-CG 3.47Å; G162-D370 WeakPolarHBondContact CA-OD2 3.26Å
163H98.8Very high97.4Very high18 Ų1822.6 Ų22.68%0.08312%0.117CC..  trans-66.8145.6-170.470.5-77.3000114.7P89 Q224 V280 D370 L371P89-H163 WeakPolarHBondContact O-CA 3.08Å; H163-Q224 PolarHBondContact CE1-OE1 3.02Å; H163-V280 PolarHBondContact CE1-O 3.2Å; H163-V280 VanDerWaalsContact CE1-O 3.24Å; H163-V280 PolarHBondContact NE2-O 2.99Å; H163-D370 IonicContact CE1-OD1 3.35Å; H163-D370 IonicContact CG-OD1 2.97Å; H163-D370 PolarHBondContact N-OD1 3.28Å; H163-D370 PolarHBondContact N-OD2 3.16Å; H163-D370 IonicContact ND1-OD1 3.37Å; H163-D370 PolarHBondContact ND1-OD1 3.01Å; H163-D370 IonicContact ND1-OD2 3.16Å; H163-L371 PolarHBondContact ND1-O 2.95Å
164G98.6Very high97.6Very high4 Ų418.6 Ų18.64%0.04110%0.096CC..  trans-86.8174.1158.900000111P89 L173P89-G164 PolarHBondContact O-N 2.93Å; G164-L173 WeakPolarHBondContact CA-O 3.2Å
165I98.4Very high97.6Very high24 Ų2418.4 Ų18.412%0.12310%0.095CC..EExtended strand (participates in β ladder)trans-127.4154.6-178.167.3170.6000112.1L167 L173 M225 L237I165-L167 HydrophobicContact CD1-CD2 3.92Å; I165-L173 HydrophobicContact CD1-CD1 4.01Å; I165-L173 HydrophobicContact CG1-CB 3.84Å; I165-L173 HydrophobicContact CG1-CD1 4.03Å; I165-L173 HydrophobicContact CG1-CG 4.39Å; I165-L173 PolarHBondContact N-O 2.86Å; I165-L173 PolarHBondContact O-N 2.96Å; I165-M225 HydrophobicContact CD1-CB 4.25Å; I165-M225 WeakPolarHBondContact CG2-O 3.27Å; I165-L237 HydrophobicContact CD1-CD1 3.86Å
166Q98.3Very high97.7Very high42 Ų4218.4 Ų18.420%0.19610%0.095CC..EExtended strand (participates in β ladder)trans-109.8128.7165178.3166.756.100109D92 G170 R171 L172D92-Q166 PolarHBondContact OD1-NE2 2.86Å; Q166-G170 PolarHBondContact NE2-O 3.07Å; Q166-R171 WeakPolarHBondContact CA-O 3.34Å; Q166-L172 HydrophobicContact CB-CD2 3.85Å; Q166-L172 HydrophobicContact CG-CD2 3.87Å
167L97.3Very high97.7Very high9 Ų918.4 Ų18.45%0.04710%0.095CC..  trans-77.7160.5173.9-57.9-172.7000110.8I165 S169 G170 R171 L173 L237 D256I165-L167 HydrophobicContact CD1-CD2 3.92Å; L167-S169 PolarHBondContact O-N 2.87Å; L167-S169 VanDerWaalsContact O-N 3.09Å; L167-G170 WeakPolarHBondContact O-CA 3.4Å; L167-G170 PolarHBondContact O-N 3.28Å; L167-R171 HydrophobicContact CB-CB 4.34Å; L167-R171 HydrophobicContact CD1-CB 4.15Å; L167-R171 HydrophobicContact CD1-CG 4.36Å; L167-R171 HydrophobicContact CG-CB 4.37Å; L167-R171 PolarHBondContact N-O 3.04Å; L167-L173 HydrophobicContact CD1-CD1 3.96Å; L167-L173 HydrophobicContact CD2-CD1 3.82Å; L167-L173 HydrophobicContact CG-CD1 3.9Å; L167-L173 HydrophobicContact CG-CG 4.34Å; L167-L237 HydrophobicContact CD2-CD1 4.31Å; L167-D256 HydrophobicContact CD1-CB 3.52Å; L167-D256 VanDerWaalsContact CD1-CG 3.48Å
168K93.9Very high97.7Very high153 Ų15318.3 Ų18.367%0.6659%0.094SC*.THydrogen-bonded Turntrans-56.6-26.4173.7-68178.7-175.9163.70113.1G170 D229K168-G170 PolarHBondContact O-N 3.08Å; K168-D229 WeakPolarHBondContact CE-OD2 3.44Å; K168-D229 IonicContact NZ-OD1 3.25Å; K168-D229 PolarHBondContact NZ-OD1 3.31Å; K168-D229 IonicContact NZ-OD2 3.9Å; K168-D229 PolarHBondContact NZ-OD2 3.05Å
169S95Very high97.7Very high83 Ų8319.6 Ų19.658%0.5810%0.098SC*.THydrogen-bonded Turntrans-69.5-12.3174.259.40000113.9L167 R171L167-S169 PolarHBondContact O-N 2.87Å; L167-S169 VanDerWaalsContact O-N 3.09Å; S169-R171 VanDerWaalsContact C-N 3.34Å; S169-R171 PolarHBondContact OG-N 3.34Å
170G97.1Very high97.7Very high3 Ų321.3 Ų21.33%0.03111%0.106CC..SBendtrans91.5-10.9-172.100000113.9Q166 L167 K168 L172Q166-G170 PolarHBondContact NE2-O 3.07Å; L167-G170 WeakPolarHBondContact O-CA 3.4Å; L167-G170 PolarHBondContact O-N 3.28Å; K168-G170 PolarHBondContact O-N 3.08Å; G170-L172 PolarHBondContact O-N 3.42Å
171R98.2Very high97.7Very high35 Ų3522.2 Ų22.213%0.13211%0.111CC..  trans-57.9127.5175.4176.6176.6-72.7-172.6-1.7110.5Q166 L167 S169 L173 H201 S202 D203 D255 D256Q166-R171 WeakPolarHBondContact CA-O 3.34Å; L167-R171 HydrophobicContact CB-CB 4.34Å; L167-R171 HydrophobicContact CD1-CB 4.15Å; L167-R171 HydrophobicContact CD1-CG 4.36Å; L167-R171 HydrophobicContact CG-CB 4.37Å; L167-R171 PolarHBondContact N-O 3.04Å; S169-R171 VanDerWaalsContact C-N 3.34Å; S169-R171 PolarHBondContact OG-N 3.34Å; R171-L173 HydrophobicContact CG-CD2 4Å; R171-L173 HydrophobicContact CG-CG 4.34Å; R171-H201 HydrophobicContact CG-CB 4.24Å; R171-S202 WeakPolarHBondContact CA-O 3.36Å; R171-D203 WeakPolarHBondContact CB-OD1 3.26Å; R171-D203 IonicContact CZ-OD1 2.69Å; R171-D203 IonicContact CZ-OD2 3.61Å; R171-D203 IonicContact NE-OD1 3.66Å; R171-D203 PolarHBondContact NE-OD1 2.86Å; R171-D203 IonicContact NE-OD2 2.94Å; R171-D203 IonicContact NH2-OD1 3.37Å; R171-D203 PolarHBondContact NH2-OD1 2.99Å; R171-D203 VanDerWaalsContact NH2-OD1 3.16Å; R171-D203 IonicContact NH2-OD2 2.6Å; R171-D203 PolarHBondContact NH2-OD2 2.78Å; R171-D255 PolarHBondContact NH1-O 3.27Å; R171-D256 VanDerWaalsContact NH1-CB 3.3Å; R171-D256 PolarHBondContact NH1-O 2.92Å
172L98.8Very high97.4Very high0 Ų026.2 Ų26.20%013%0.132CC..EExtended strand (participates in β ladder)trans-89.2138.2171.2-55.1179.2000109.4V90 D92 F99 Q166 G170 H201 S202 W209V90-L172 HydrophobicContact CG2-CD2 4.26Å; D92-L172 HydrophobicContact CB-CD1 4.27Å; D92-L172 HydrophobicContact CB-CD2 4Å; F99-L172 HydrophobicContact CD2-CD1 4.32Å; F99-L172 HydrophobicContact CE2-CD1 4.12Å; Q166-L172 HydrophobicContact CB-CD2 3.85Å; Q166-L172 HydrophobicContact CG-CD2 3.87Å; G170-L172 PolarHBondContact O-N 3.42Å; L172-H201 CarbonylContact O-C 3.56Å; L172-H201 WeakPolarHBondContact O-CA 3.35Å; L172-S202 PolarHBondContact N-O 2.91Å; L172-S202 PolarHBondContact O-N 3.04Å; L172-W209 HydrophobicContact CB-CH2 3.7Å; L172-W209 HydrophobicContact CB-CZ3 4.18Å; L172-W209 HydrophobicContact CD1-CH2 3.98Å; L172-W209 HydrophobicContact CD1-CZ2 4.14Å
173L98.8Very high96.7Very high0 Ų028.4 Ų28.40%015%0.147CC..EExtended strand (participates in β ladder)trans-127.6130.2178.5-64.5179.2000111G164 I165 L167 R171 F200 H201 L237G164-L173 WeakPolarHBondContact CA-O 3.2Å; I165-L173 HydrophobicContact CD1-CD1 4.01Å; I165-L173 HydrophobicContact CG1-CB 3.84Å; I165-L173 HydrophobicContact CG1-CD1 4.03Å; I165-L173 HydrophobicContact CG1-CG 4.39Å; I165-L173 PolarHBondContact N-O 2.86Å; I165-L173 PolarHBondContact O-N 2.96Å; L167-L173 HydrophobicContact CD1-CD1 3.96Å; L167-L173 HydrophobicContact CD2-CD1 3.82Å; L167-L173 HydrophobicContact CG-CD1 3.9Å; L167-L173 HydrophobicContact CG-CG 4.34Å; R171-L173 HydrophobicContact CG-CD2 4Å; R171-L173 HydrophobicContact CG-CG 4.34Å; L173-F200 WeakPolarHBondContact CA-O 3.42Å; L173-H201 HydrophobicContact CD2-CB 3.48Å; L173-H201 VanDerWaalsContact CD2-CB 3.48Å; L173-L237 HydrophobicContact CD1-CD1 3.63Å; L173-L237 HydrophobicContact CD1-CD2 3.66Å; L173-L237 HydrophobicContact CD1-CG 4.32Å
174I98.8Very high95.8Very high0 Ų033.7 Ų33.70%017%0.166CC..EExtended strand (participates in β ladder)trans-116.7107.3174.4-50.5-58.8000108C88 V90 F101 L159 C199 F200 W209C88-I174 HydrophobicContact CB-CG2 4.47Å; V90-I174 HydrophobicContact CB-CD1 3.97Å; V90-I174 HydrophobicContact CG1-CD1 3.54Å; F101-I174 HydrophobicContact CB-CG2 4.36Å; F101-I174 HydrophobicContact CD1-CG1 4.41Å; F101-I174 HydrophobicContact CD2-CD1 3.43Å; F101-I174 VanDerWaalsContact CD2-CD1 3.43Å; F101-I174 HydrophobicContact CD2-CG1 3.85Å; F101-I174 HydrophobicContact CE1-CG1 4.43Å; F101-I174 HydrophobicContact CE2-CD1 3.62Å; F101-I174 HydrophobicContact CE2-CG1 3.88Å; F101-I174 HydrophobicContact CG-CD1 4.12Å; F101-I174 HydrophobicContact CG-CG1 4.15Å; F101-I174 HydrophobicContact CG-CG2 4.32Å; F101-I174 HydrophobicContact CZ-CD1 4.43Å; F101-I174 HydrophobicContact CZ-CG1 4.2Å; L159-I174 HydrophobicContact CD1-CG2 4.3Å; L159-I174 HydrophobicContact CD2-CG2 3.96Å; I174-C199 CarbonylContact O-C 3.56Å; I174-C199 VanDerWaalsContact O-CA 3.25Å; I174-C199 WeakPolarHBondContact O-CA 3.08Å; I174-C199 WeakPolarHBondContact O-CB 3.48Å; I174-F200 HydrophobicContact CB-CB 4.21Å; I174-F200 PolarHBondContact N-O 2.79Å; I174-F200 PolarHBondContact O-N 2.97Å; I174-W209 HydrophobicContact CD1-CH2 4.39Å; I174-W209 HydrophobicContact CG1-CH2 4.05Å; I174-W209 HydrophobicContact CG1-CZ3 3.73Å
175P98.8Very high94.2Very high0 Ų041.9 Ų41.90%020%0.203CC..EExtended strand (participates in β ladder)trans-59.4141.7175.3-21.132.3000111.2G160 C223 M225G160-P175 PolarHBondContact N-O 3.42Å; P175-C223 VanDerWaalsContact CB-O 3.29Å; P175-C223 WeakPolarHBondContact CB-O 3.48Å; P175-M225 HydrophobicContact CB-CE 4.49Å; P175-M225 HydrophobicContact CB-CG 4.38Å; P175-M225 HydrophobicContact CG-CB 4.43Å; P175-M225 HydrophobicContact CG-CG 4.12Å
176A98.9Very high92.6Very high0 Ų042.9 Ų42.90%021%0.212CC..EExtended strand (participates in β ladder)trans-152.8171-177.600000111.5A158 L159 A197 F198 F200A158-A176 VanDerWaalsContact O-CA 3.31Å; A158-A176 WeakPolarHBondContact O-CA 3.31Å; A158-A176 WeakPolarHBondContact O-CB 3.29Å; L159-A176 HydrophobicContact CD2-CB 3.98Å; A176-A197 CarbonylContact O-C 3.52Å; A176-A197 VanDerWaalsContact O-CA 3.3Å; A176-A197 WeakPolarHBondContact O-CA 3.44Å; A176-F198 CarbonylContact C-O 3.6Å; A176-F198 HydrophobicContact CB-CD1 4.36Å; A176-F198 HydrophobicContact CB-CD2 4.3Å; A176-F198 HydrophobicContact CB-CE1 3.96Å; A176-F198 HydrophobicContact CB-CE2 3.89Å; A176-F198 HydrophobicContact CB-CZ 3.7Å; A176-F198 PolarHBondContact N-O 3.03Å; A176-F198 PolarHBondContact O-N 2.93Å; A176-F200 HydrophobicContact CB-CD2 3.82Å; A176-F200 HydrophobicContact CB-CE2 3.65Å
177Y98.8Very high91.1Very high8 Ų851.3 Ų51.33%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-150.1153.4168.170-78.4000110.6F157 A158 Y179 R196 V221 E222F157-Y177 CarbonylContact C-O 3.57Å; F157-Y177 VanDerWaalsContact CA-O 3.24Å; F157-Y177 WeakPolarHBondContact CA-O 3.2Å; F157-Y177 VanDerWaalsContact CB-O 3.28Å; F157-Y177 WeakPolarHBondContact CB-O 3.3Å; A158-Y177 HydrophobicContact CB-CD1 4.37Å; A158-Y177 HydrophobicContact CB-CE1 3.55Å; A158-Y177 PolarHBondContact N-O 2.85Å; A158-Y177 PolarHBondContact O-N 2.91Å; Y177-Y179 HydrophobicContact CD2-CE2 4.25Å; Y177-Y179 HydrophobicContact CE2-CD2 4.19Å; Y177-Y179 AromaticContact CE2-CE2 3.57Å; Y177-Y179 HydrophobicContact CE2-CE2 3.57Å; Y177-R196 VanDerWaalsContact CA-O 3.25Å; Y177-R196 WeakPolarHBondContact CA-O 3.29Å; Y177-R196 WeakPolarHBondContact CB-O 3.48Å; Y177-V221 HydrophobicContact CD2-CB 3.86Å; Y177-V221 HydrophobicContact CD2-CG1 3.94Å; Y177-V221 HydrophobicContact CE2-CB 3.93Å; Y177-V221 HydrophobicContact CE2-CG1 3.98Å; Y177-V221 HydrophobicContact CG-CB 4.25Å; Y177-E222 HydrophobicContact CD1-CG 4.39Å; Y177-E222 HydrophobicContact CE1-CB 4.43Å; Y177-E222 HydrophobicContact CE1-CG 3.69Å
178A98.6Very high89.5Confident0 Ų054.5 Ų54.50%028%0.283CS..EExtended strand (participates in β ladder)trans-132.6147.3176.300000110.7W154 F157 H180 P195 R196 F198W154-A178 HydrophobicContact CB-CB 4.31Å; W154-A178 HydrophobicContact CD2-CB 3.57Å; W154-A178 HydrophobicContact CE3-CB 3.99Å; W154-A178 HydrophobicContact CG-CB 3.7Å; W154-A178 HydrophobicContact CZ2-CB 4.38Å; F157-A178 HydrophobicContact CB-CB 3.88Å; A178-H180 PolarHBondContact O-CD2 3.27Å; A178-H180 PolarHBondContact O-N 2.8Å; A178-P195 WeakPolarHBondContact O-CA 3.25Å; A178-R196 PolarHBondContact N-O 2.72Å; A178-R196 PolarHBondContact O-N 2.98Å; A178-F198 HydrophobicContact CB-CE1 3.81Å
179Y98.1Very high88.1Confident31 Ų3154 Ų5412%0.12228%0.284CS..EExtended strand (participates in β ladder)trans-89.999169.4-70.2-93000109.1E111 L115 W154 A155 T156 Y177 P195E111-Y179 HydrophobicContact CG-CE2 4.35Å; E111-Y179 PolarHBondContact OE1-OH 2.77Å; E111-Y179 WeakPolarHBondContact OE2-CE2 3.46Å; E111-Y179 PolarHBondContact OE2-OH 3.26Å; L115-Y179 HydrophobicContact CD1-CD1 4.47Å; L115-Y179 HydrophobicContact CD1-CE1 4.2Å; L115-Y179 HydrophobicContact CD2-CD1 3.52Å; L115-Y179 HydrophobicContact CD2-CD2 3.7Å; L115-Y179 HydrophobicContact CD2-CE1 4.04Å; L115-Y179 HydrophobicContact CD2-CE2 4.14Å; L115-Y179 HydrophobicContact CD2-CG 3.33Å; W154-Y179 CarbonylContact C-O 3.5Å; W154-Y179 WeakPolarHBondContact CA-O 3.43Å; A155-Y179 PolarHBondContact N-O 3.02Å; T156-Y179 HydrophobicContact CG2-CD2 3.59Å; T156-Y179 HydrophobicContact CG2-CE2 4.06Å; T156-Y179 HydrophobicContact CG2-CG 4.47Å; T156-Y179 PolarHBondContact O-N 3.15Å; Y177-Y179 HydrophobicContact CD2-CE2 4.25Å; Y177-Y179 HydrophobicContact CE2-CD2 4.19Å; Y177-Y179 AromaticContact CE2-CE2 3.57Å; Y177-Y179 HydrophobicContact CE2-CE2 3.57Å; Y179-P195 HydrophobicContact CD1-CB 3.64Å; Y179-P195 HydrophobicContact CD1-CG 4.11Å; Y179-P195 HydrophobicContact CE1-CB 3.63Å; Y179-P195 HydrophobicContact CE1-CG 3.91Å; Y179-P195 HydrophobicContact CG-CB 4.27Å
180H96.8Very high87.1Confident36 Ų3651.8 Ų51.817%0.16727%0.265CS..EExtended strand (participates in β ladder)trans-71.5135.2-179.2-70.2-102.8000110.8W154 A178 D182 T193 T194W154-H180 AromaticContact CD1-CE1 3.96Å; W154-H180 AromaticContact CD1-ND1 3.85Å; W154-H180 AromaticContact NE1-CE1 3.41Å; W154-H180 PolarHBondContact NE1-CE1 3.48Å; W154-H180 AromaticContact NE1-ND1 3.71Å; W154-H180 AromaticContact NE1-NE2 3.96Å; A178-H180 PolarHBondContact O-CD2 3.27Å; A178-H180 PolarHBondContact O-N 2.8Å; H180-D182 PolarHBondContact O-N 3.15Å; H180-T193 CarbonylContact O-C 3.57Å; H180-T193 WeakPolarHBondContact O-CA 3.43Å; H180-T194 PolarHBondContact N-O 3.14Å; H180-T194 PolarHBondContact O-N 2.81Å
181I95.1Very high86Confident20 Ų2054.6 Ų54.610%0.10328%0.283CS..EExtended strand (participates in β ladder)trans-84.9100.2175.6-63.1175.4000108.7D153 A155 R184 L190 T193D153-I181 PolarHBondContact O-N 2.89Å; A155-I181 HydrophobicContact CB-CD1 4.27Å; A155-I181 HydrophobicContact CB-CG1 4Å; I181-R184 HydrophobicContact CG2-CG 3.52Å; I181-L190 HydrophobicContact CB-CD1 4.42Å; I181-L190 HydrophobicContact CD1-CD2 4.47Å; I181-L190 HydrophobicContact CG1-CD1 4.4Å; I181-L190 HydrophobicContact CG1-CD2 4.23Å; I181-L190 HydrophobicContact CG2-CD1 3.29Å; I181-L190 HydrophobicContact CG2-CG 4.35Å; I181-T193 HydrophobicContact CG1-CG2 4.28Å
182D89.1Confident85.5Confident84 Ų8456.9 Ų56.945%0.44930%0.298SS..EExtended strand (participates in β ladder)trans-86.9-29.2-178.2-64.9-39.2000112.6H180 L192 T194H180-D182 PolarHBondContact O-N 3.15Å; D182-L192 HydrophobicContact CB-CB 4.41Å; D182-L192 HydrophobicContact CB-CD2 3.97Å; D182-L192 HydrophobicContact CB-CG 4.11Å; D182-L192 PolarHBondContact N-O 2.87Å; D182-L192 VanDerWaalsContact N-O 3.16Å; D182-T194 VanDerWaalsContact OD2-CB 3.24Å; D182-T194 WeakPolarHBondContact OD2-CB 3.08Å; D182-T194 PolarHBondContact OD2-OG1 3.38Å; D182-T194 VanDerWaalsContact OD2-OG1 3.09Å
183C84.3Confident85.2Confident47 Ų4758.6 Ų58.632%0.31831%0.308SS..EExtended strand (participates in β ladder)trans-146.6117.1179.5-170.50000112.8L190 C191 L192C183-L190 WeakPolarHBondContact O-CD1 3.49Å; C183-C191 PolarHBondContact O-N 3.43Å; C183-C191 PolarHBondContact SG-SG 2.87Å; C183-L192 HydrophobicContact CB-CB 4.24Å
184R79.4Confident85.1Confident129 Ų12959.2 Ų59.249%0.48731%0.312SS..  trans-92.2-20.8178.4-63.7-176.1-169.9-121.74.3114.5K152 D153 I181 Q189 L190K152-R184 PolarHBondContact O-NH2 3.23Å; D153-R184 IonicContact OD1-NH2 2.72Å; I181-R184 HydrophobicContact CG2-CG 3.52Å; R184-Q189 CarbonylContact O-C 3.53Å; R184-L190 HydrophobicContact CB-CD1 4.29Å; R184-L190 HydrophobicContact CG-CD1 3.91Å
185E67.1Low85Confident176 Ų17659.8 Ų59.882%0.82232%0.316SS*.  trans-113.159.8-165.1-67.1-173.4173.400112.9
186C63.4Low84.9Confident44 Ų4463.1 Ų63.130%0.29733%0.328SS..BIsolated β-bridgetrans-107.3101164.6-69.90000109.3G188 Q189 C191C186-G188 PolarHBondContact O-N 2.8Å; C186-G188 VanDerWaalsContact O-N 3.14Å; C186-Q189 PolarHBondContact N-O 3.44Å; C186-Q189 PolarHBondContact O-N 3.31Å; C186-Q189 VanDerWaalsContact O-O 3.12Å; C186-C191 HydrophobicContact CB-CB 3.26Å; C186-C191 WeakPolarHBondContact CB-SG 3.2Å; C186-C191 WeakPolarHBondContact SG-CB 3.48Å; C186-C191 CovalentContact SG-SG 2.02Å; C186-C191 PolarHBondContact SG-SG 2.73Å
187F66.6Low84.9Confident219 Ų21963.1 Ų63.196%0.96133%0.328SS*.THydrogen-bonded Turntrans5432.4180-54.7-81.2000113.9Q189F187-Q189 VanDerWaalsContact C-N 3.34Å
188G64.4Low84.9Confident76 Ų7662.9 Ų62.978%0.78433%0.328SS*.THydrogen-bonded Turntrans77.613.6-17800000114.9C186C186-G188 PolarHBondContact O-N 2.8Å; C186-G188 VanDerWaalsContact O-N 3.14Å
189Q65.3Low84.9Confident144 Ų14462.9 Ų62.967%0.67333%0.328SS*.BIsolated β-bridgetrans-127.9154.3176.1-66.6-175.7-22.200111.7R184 C186 F187 C191R184-Q189 CarbonylContact O-C 3.53Å; C186-Q189 PolarHBondContact N-O 3.44Å; C186-Q189 PolarHBondContact O-N 3.31Å; C186-Q189 VanDerWaalsContact O-O 3.12Å; F187-Q189 VanDerWaalsContact C-N 3.34Å; Q189-C191 PolarHBondContact O-N 2.82Å
190L73.6Confident84.9Confident35 Ų3561.5 Ų61.518%0.18332%0.322CS..  trans-65.6125.3171.7-154.871.1000109.6L115 V116 I181 C183 R184 T193L115-L190 WeakPolarHBondContact O-CD2 3.41Å; V116-L190 WeakPolarHBondContact O-CB 3.31Å; I181-L190 HydrophobicContact CB-CD1 4.42Å; I181-L190 HydrophobicContact CD1-CD2 4.47Å; I181-L190 HydrophobicContact CG1-CD1 4.4Å; I181-L190 HydrophobicContact CG1-CD2 4.23Å; I181-L190 HydrophobicContact CG2-CD1 3.29Å; I181-L190 HydrophobicContact CG2-CG 4.35Å; C183-L190 WeakPolarHBondContact O-CD1 3.49Å; R184-L190 HydrophobicContact CB-CD1 4.29Å; R184-L190 HydrophobicContact CG-CD1 3.91Å; L190-T193 HydrophobicContact CD2-CG2 3.51Å; L190-T193 HydrophobicContact CG-CG2 4.35Å
191C72.4Confident85Confident63 Ų6360.5 Ų60.543%0.42632%0.318SS..  trans-117.9-15.1-176.750.90000115C183 C186 Q189C183-C191 PolarHBondContact O-N 3.43Å; C183-C191 PolarHBondContact SG-SG 2.87Å; C186-C191 HydrophobicContact CB-CB 3.26Å; C186-C191 WeakPolarHBondContact CB-SG 3.2Å; C186-C191 WeakPolarHBondContact SG-CB 3.48Å; C186-C191 CovalentContact SG-SG 2.02Å; C186-C191 PolarHBondContact SG-SG 2.73Å; Q189-C191 PolarHBondContact O-N 2.82Å
192L87.6Confident85.2Confident83 Ų8359.6 Ų59.644%0.43531%0.313SS..EExtended strand (participates in β ladder)trans-144.4121.2178-172.861000111.1D182 C183D182-L192 HydrophobicContact CB-CB 4.41Å; D182-L192 HydrophobicContact CB-CD2 3.97Å; D182-L192 HydrophobicContact CB-CG 4.11Å; D182-L192 PolarHBondContact N-O 2.87Å; D182-L192 VanDerWaalsContact N-O 3.16Å; C183-L192 HydrophobicContact CB-CB 4.24Å
193T93.6Very high85.6Confident36 Ų3659.4 Ų59.422%0.22131%0.312CS..EExtended strand (participates in β ladder)trans-123133.9164.450.30000109.2A155 H180 I181 L190A155-T193 HydrophobicContact CB-CG2 3.85Å; H180-T193 CarbonylContact O-C 3.57Å; H180-T193 WeakPolarHBondContact O-CA 3.43Å; I181-T193 HydrophobicContact CG1-CG2 4.28Å; L190-T193 HydrophobicContact CD2-CG2 3.51Å; L190-T193 HydrophobicContact CG-CG2 4.35Å
194T95.6Very high86.3Confident13 Ų1358.9 Ų58.98%0.0831%0.307CS..EExtended strand (participates in β ladder)trans-120.3120.5179.2-72.20000110.1H180 D182 R196 E219H180-T194 PolarHBondContact N-O 3.14Å; H180-T194 PolarHBondContact O-N 2.81Å; D182-T194 VanDerWaalsContact OD2-CB 3.24Å; D182-T194 WeakPolarHBondContact OD2-CB 3.08Å; D182-T194 PolarHBondContact OD2-OG1 3.38Å; D182-T194 VanDerWaalsContact OD2-OG1 3.09Å; T194-R196 HydrophobicContact CG2-CG 4.22Å; T194-E219 HydrophobicContact CG2-CG 3.93Å
195P97.1Very high87.2Confident11 Ų1155.4 Ų55.47%0.07130%0.296CS..EExtended strand (participates in β ladder)trans-76.8134.8177.328.6-30.1000111.6A178 Y179 E219 S220 V221A178-P195 WeakPolarHBondContact O-CA 3.25Å; Y179-P195 HydrophobicContact CD1-CB 3.64Å; Y179-P195 HydrophobicContact CD1-CG 4.11Å; Y179-P195 HydrophobicContact CE1-CB 3.63Å; Y179-P195 HydrophobicContact CE1-CG 3.91Å; Y179-P195 HydrophobicContact CG-CB 4.27Å; P195-E219 HydrophobicContact CG-CB 4.22Å; P195-S220 CarbonylContact C-O 3.34Å; P195-S220 PolarHBondContact O-N 3.29Å; P195-V221 HydrophobicContact CB-CG1 3.39Å; P195-V221 HydrophobicContact CG-CG1 3.8Å
196R97.7Very high88.6Confident71 Ų7147.3 Ų47.327%0.26826%0.26SS..EExtended strand (participates in β ladder)trans-139132174.8-55.5-179.4179.6-137.3-7.6111.1Y177 A178 T194 P214 I215 P216 S220Y177-R196 VanDerWaalsContact CA-O 3.25Å; Y177-R196 WeakPolarHBondContact CA-O 3.29Å; Y177-R196 WeakPolarHBondContact CB-O 3.48Å; A178-R196 PolarHBondContact N-O 2.72Å; A178-R196 PolarHBondContact O-N 2.98Å; T194-R196 HydrophobicContact CG2-CG 4.22Å; R196-P214 HydrophobicContact CB-CB 3.61Å; R196-P214 HydrophobicContact CG-CB 4.43Å; R196-I215 WeakPolarHBondContact CD-O 3.27Å; R196-P216 PolarHBondContact NH1-O 2.76Å; R196-P216 PolarHBondContact NH2-O 3.4Å; R196-S220 CarbonylContact C-O 3.52Å; R196-S220 VanDerWaalsContact CA-O 3.24Å; R196-S220 WeakPolarHBondContact CA-O 3.28Å; R196-S220 PolarHBondContact N-O 2.79Å; R196-S220 VanDerWaalsContact N-O 3.14Å
197A98.6Very high90.2Very high0 Ų054.3 Ų54.30%028%0.28CS..EExtended strand (participates in β ladder)trans-76.6149.2172.800000111.8A176 P214 I215 S220 C223 A241A176-A197 CarbonylContact O-C 3.52Å; A176-A197 VanDerWaalsContact O-CA 3.3Å; A176-A197 WeakPolarHBondContact O-CA 3.44Å; A197-P214 WeakPolarHBondContact O-CA 3.46Å; A197-I215 HydrophobicContact CB-CD1 3.91Å; A197-I215 WeakPolarHBondContact O-CG1 3.47Å; A197-I215 PolarHBondContact O-N 2.96Å; A197-S220 PolarHBondContact N-O 2.98Å; A197-S220 PolarHBondContact N-OG 2.92Å; A197-C223 HydrophobicContact CB-CB 4.05Å; A197-A241 HydrophobicContact CB-CB 4.21Å
198F98.8Very high91.7Very high3 Ų346.6 Ų46.61%0.01325%0.254CS..EExtended strand (participates in β ladder)trans-156.3-168.8176.668.9-83.4000108.9W154 A176 A178 F200 F211 M225W154-F198 HydrophobicContact CH2-CE1 4.36Å; W154-F198 HydrophobicContact CH2-CE2 4.3Å; W154-F198 AromaticContact CH2-CZ 3.73Å; W154-F198 HydrophobicContact CH2-CZ 3.73Å; W154-F198 HydrophobicContact CZ2-CZ 4.31Å; W154-F198 HydrophobicContact CZ3-CZ 4.18Å; A176-F198 CarbonylContact C-O 3.6Å; A176-F198 HydrophobicContact CB-CD1 4.36Å; A176-F198 HydrophobicContact CB-CD2 4.3Å; A176-F198 HydrophobicContact CB-CE1 3.96Å; A176-F198 HydrophobicContact CB-CE2 3.89Å; A176-F198 HydrophobicContact CB-CZ 3.7Å; A176-F198 PolarHBondContact N-O 3.03Å; A176-F198 PolarHBondContact O-N 2.93Å; A178-F198 HydrophobicContact CB-CE1 3.81Å; F198-F200 HydrophobicContact CE2-CD1 4.48Å; F198-F200 HydrophobicContact CE2-CD2 4.05Å; F198-F200 HydrophobicContact CE2-CE1 4.09Å; F198-F200 AromaticContact CE2-CE2 3.64Å; F198-F200 HydrophobicContact CE2-CE2 3.64Å; F198-F200 HydrophobicContact CE2-CG 4.45Å; F198-F200 AromaticContact CE2-CZ 3.65Å; F198-F200 HydrophobicContact CE2-CZ 3.65Å; F198-F200 AromaticContact CZ-CE2 3.78Å; F198-F200 HydrophobicContact CZ-CE2 3.78Å; F198-F200 AromaticContact CZ-CZ 3.76Å; F198-F200 HydrophobicContact CZ-CZ 3.76Å; F198-F211 HydrophobicContact CD2-CB 3.89Å; F198-F211 HydrophobicContact CD2-CD2 4.36Å; F198-F211 HydrophobicContact CE2-CB 3.71Å; F198-F211 HydrophobicContact CE2-CD2 4.24Å; F198-F211 HydrophobicContact CE2-CG 4.19Å; F198-M225 WeakPolarHBondContact O-CE 3.34Å
199C98.6Very high93.3Very high0 Ų043.8 Ų43.80%022%0.219CC..EExtended strand (participates in β ladder)trans-140.2151.7167.256.90000113.1I174 F211 G212 M225 G257I174-C199 CarbonylContact O-C 3.56Å; I174-C199 VanDerWaalsContact O-CA 3.25Å; I174-C199 WeakPolarHBondContact O-CA 3.08Å; I174-C199 WeakPolarHBondContact O-CB 3.48Å; C199-F211 VanDerWaalsContact O-CA 3.27Å; C199-F211 WeakPolarHBondContact O-CA 3.37Å; C199-G212 PolarHBondContact O-N 3.42Å; C199-M225 HydrophobicContact CB-CE 3.58Å; C199-M225 HydrophobicContact CB-SD 3.71Å; C199-G257 PolarHBondContact SG-O 2.87Å; C199-G257 VanDerWaalsContact SG-O 3.4Å
200F98.8Very high94.9Very high2 Ų244.8 Ų44.81%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-83.1146.8159.1-60.3-87.2000109.5L124 V146 I147 L159 L173 I174 A176 F198 W209 R210 F211L124-F200 HydrophobicContact CD1-CE2 4.49Å; L124-F200 HydrophobicContact CD2-CD1 4.01Å; L124-F200 HydrophobicContact CD2-CD2 4.45Å; L124-F200 HydrophobicContact CD2-CE1 3.69Å; L124-F200 HydrophobicContact CD2-CE2 4.14Å; L124-F200 HydrophobicContact CD2-CG 4.4Å; L124-F200 HydrophobicContact CD2-CZ 3.76Å; V146-F200 HydrophobicContact CG1-CD1 3.75Å; V146-F200 HydrophobicContact CG1-CE1 3.9Å; I147-F200 HydrophobicContact CD1-CE1 4.39Å; I147-F200 HydrophobicContact CD1-CZ 4.12Å; I147-F200 HydrophobicContact CG1-CE1 3.92Å; I147-F200 HydrophobicContact CG1-CZ 4.12Å; L159-F200 HydrophobicContact CD2-CD2 3.88Å; L159-F200 HydrophobicContact CD2-CE2 3.72Å; L173-F200 WeakPolarHBondContact CA-O 3.42Å; I174-F200 HydrophobicContact CB-CB 4.21Å; I174-F200 PolarHBondContact N-O 2.79Å; I174-F200 PolarHBondContact O-N 2.97Å; A176-F200 HydrophobicContact CB-CD2 3.82Å; A176-F200 HydrophobicContact CB-CE2 3.65Å; F198-F200 HydrophobicContact CE2-CD1 4.48Å; F198-F200 HydrophobicContact CE2-CD2 4.05Å; F198-F200 HydrophobicContact CE2-CE1 4.09Å; F198-F200 AromaticContact CE2-CE2 3.64Å; F198-F200 HydrophobicContact CE2-CE2 3.64Å; F198-F200 HydrophobicContact CE2-CG 4.45Å; F198-F200 AromaticContact CE2-CZ 3.65Å; F198-F200 HydrophobicContact CE2-CZ 3.65Å; F198-F200 AromaticContact CZ-CE2 3.78Å; F198-F200 HydrophobicContact CZ-CE2 3.78Å; F198-F200 AromaticContact CZ-CZ 3.76Å; F198-F200 HydrophobicContact CZ-CZ 3.76Å; F200-W209 HydrophobicContact CB-CE3 4.31Å; F200-R210 CarbonylContact C-O 3.57Å; F200-R210 WeakPolarHBondContact CA-O 3.46Å; F200-F211 HydrophobicContact CD1-CB 3.6Å; F200-F211 HydrophobicContact CD1-CD1 4.35Å; F200-F211 HydrophobicContact CD1-CG 4.37Å; F200-F211 HydrophobicContact CE1-CB 3.82Å; F200-F211 HydrophobicContact CE1-CD1 4.01Å; F200-F211 HydrophobicContact CE1-CG 4.16Å; F200-F211 HydrophobicContact CG-CB 4.25Å
201H98.5Very high96.1Very high15 Ų1546 Ų467%0.06922%0.221CC..EExtended strand (participates in β ladder)trans-139.7153.3178.765.6-94.1000113.4R171 L172 L173 W209 R210R171-H201 HydrophobicContact CG-CB 4.24Å; L172-H201 CarbonylContact O-C 3.56Å; L172-H201 WeakPolarHBondContact O-CA 3.35Å; L173-H201 HydrophobicContact CD2-CB 3.48Å; L173-H201 VanDerWaalsContact CD2-CB 3.48Å; H201-W209 VanDerWaalsContact C-CE3 3.5Å; H201-W209 WeakPolarHBondContact O-CA 3.21Å; H201-R210 PolarHBondContact N-O 3.21Å; H201-R210 PolarHBondContact O-N 3.46Å
202S98.6Very high97.3Very high1 Ų143.3 Ų43.31%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-137.8120.1172.3-171.90000111.5R171 L172 T204 G206 S208R171-S202 WeakPolarHBondContact CA-O 3.36Å; L172-S202 PolarHBondContact N-O 2.91Å; L172-S202 PolarHBondContact O-N 3.04Å; S202-T204 VanDerWaalsContact C-N 3.28Å; S202-T204 PolarHBondContact OG-N 2.85Å; S202-T204 PolarHBondContact OG-OG1 2.85Å; S202-G206 PolarHBondContact OG-N 2.8Å; S202-G206 VanDerWaalsContact OG-N 3.08Å; S202-S208 VanDerWaalsContact CB-O 3.28Å; S202-S208 WeakPolarHBondContact CB-O 3.29Å; S202-S208 PolarHBondContact OG-O 2.85Å
203D98.3Very high97.8Very high80 Ų8045.2 Ų45.243%0.42821%0.211SC..SBendtrans-88.31.9168.9-65.1-48.8000112.7R171R171-D203 WeakPolarHBondContact CB-OD1 3.26Å; R171-D203 IonicContact CZ-OD1 2.69Å; R171-D203 IonicContact CZ-OD2 3.61Å; R171-D203 IonicContact NE-OD1 3.66Å; R171-D203 PolarHBondContact NE-OD1 2.86Å; R171-D203 IonicContact NE-OD2 2.94Å; R171-D203 IonicContact NH2-OD1 3.37Å; R171-D203 PolarHBondContact NH2-OD1 2.99Å; R171-D203 VanDerWaalsContact NH2-OD1 3.16Å; R171-D203 IonicContact NH2-OD2 2.6Å; R171-D203 PolarHBondContact NH2-OD2 2.78Å
204T98.3Very high97.9Very high36 Ų3644.9 Ų44.922%0.22121%0.209CC..SBendtrans-11923.9-17059.40000112.2S202 G206 R207 S208S202-T204 VanDerWaalsContact C-N 3.28Å; S202-T204 PolarHBondContact OG-N 2.85Å; S202-T204 PolarHBondContact OG-OG1 2.85Å; T204-G206 VanDerWaalsContact C-N 3.26Å; T204-G206 PolarHBondContact O-N 2.93Å; T204-R207 WeakPolarHBondContact O-CG 3.47Å; T204-R207 PolarHBondContact O-N 2.82Å; T204-R207 PolarHBondContact O-NH1 3.48Å; T204-S208 PolarHBondContact OG1-N 3.23Å; T204-S208 PolarHBondContact OG1-O 2.85Å; T204-S208 PolarHBondContact OG1-OG 2.93Å
205H97.9Very high98.1Very high55 Ų5544.2 Ų44.226%0.25521%0.205SC..THydrogen-bonded Turntrans5445.4-179.9-61.1-80.3000111.7D92 F94 T95 R207D92-H205 IonicContact OD1-CE1 3.64Å; D92-H205 IonicContact OD1-ND1 2.87Å; D92-H205 PolarHBondContact OD1-ND1 2.88Å; D92-H205 WeakPolarHBondContact OD2-CB 3.39Å; D92-H205 IonicContact OD2-CG 3.85Å; D92-H205 IonicContact OD2-ND1 3.62Å; D92-H205 PolarHBondContact OD2-ND1 2.81Å; F94-H205 AromaticContact CD2-CE1 3.97Å; F94-H205 AromaticContact CG-CE1 3.99Å; T95-H205 HydrophobicContact CG2-CB 3.69Å; H205-R207 PolarHBondContact O-N 3.19Å
206G97.3Very high98.1Very high6 Ų646.4 Ų46.46%0.06222%0.219CC..THydrogen-bonded Turntrans82.6-1.8176.700000116.5S202 T204 W209S202-G206 PolarHBondContact OG-N 2.8Å; S202-G206 VanDerWaalsContact OG-N 3.08Å; T204-G206 VanDerWaalsContact C-N 3.26Å; T204-G206 PolarHBondContact O-N 2.93Å; G206-W209 PolarHBondContact O-NE1 2.02Å; G206-W209 VanDerWaalsContact O-NE1 3.15Å
207R97.4Very high98Very high192 Ų19244.6 Ų44.673%0.72522%0.219SC*.SBendtrans-68.6-33.6177.3-68.5-171.7-64.4-82.51.7113.6T204 H205T204-R207 WeakPolarHBondContact O-CG 3.47Å; T204-R207 PolarHBondContact O-N 2.82Å; T204-R207 PolarHBondContact O-NH1 3.48Å; H205-R207 PolarHBondContact O-N 3.19Å
208S97.8Very high97.9Very high57 Ų5746 Ų4640%0.39923%0.228SC..SBendtrans-143.7146.8175.862.70000109.7S202 T204S202-S208 VanDerWaalsContact CB-O 3.28Å; S202-S208 WeakPolarHBondContact CB-O 3.29Å; S202-S208 PolarHBondContact OG-O 2.85Å; T204-S208 PolarHBondContact OG1-N 3.23Å; T204-S208 PolarHBondContact OG1-O 2.85Å; T204-S208 PolarHBondContact OG1-OG 2.93Å
209W98.6Very high97.8Very high17 Ų1749.5 Ų49.56%0.06425%0.245CC..  trans-127.9150-176.2-68.788.4000110.2F101 L142 V146 L172 I174 F200 H201 G206F101-W209 HydrophobicContact CE1-CZ2 4.34Å; F101-W209 AromaticContact CE2-CH2 3.82Å; F101-W209 HydrophobicContact CE2-CH2 3.82Å; F101-W209 AromaticContact CE2-CZ2 3.82Å; F101-W209 HydrophobicContact CE2-CZ2 3.82Å; F101-W209 HydrophobicContact CZ-CD2 4.19Å; F101-W209 AromaticContact CZ-CE2 3.59Å; F101-W209 HydrophobicContact CZ-CE3 4.42Å; F101-W209 AromaticContact CZ-CH2 3.57Å; F101-W209 HydrophobicContact CZ-CH2 3.57Å; F101-W209 AromaticContact CZ-CZ2 3.29Å; F101-W209 HydrophobicContact CZ-CZ2 3.29Å; F101-W209 HydrophobicContact CZ-CZ3 4.14Å; L142-W209 HydrophobicContact CD1-CG 4.11Å; V146-W209 HydrophobicContact CG1-CB 4.09Å; V146-W209 HydrophobicContact CG2-CB 3.67Å; L172-W209 HydrophobicContact CB-CH2 3.7Å; L172-W209 HydrophobicContact CB-CZ3 4.18Å; L172-W209 HydrophobicContact CD1-CH2 3.98Å; L172-W209 HydrophobicContact CD1-CZ2 4.14Å; I174-W209 HydrophobicContact CD1-CH2 4.39Å; I174-W209 HydrophobicContact CG1-CH2 4.05Å; I174-W209 HydrophobicContact CG1-CZ3 3.73Å; F200-W209 HydrophobicContact CB-CE3 4.31Å; H201-W209 VanDerWaalsContact C-CE3 3.5Å; H201-W209 WeakPolarHBondContact O-CA 3.21Å; G206-W209 PolarHBondContact O-NE1 2.02Å; G206-W209 VanDerWaalsContact O-NE1 3.15Å
210R98.1Very high97.8Very high164 Ų16449.5 Ų49.562%0.61925%0.245SC*.EExtended strand (participates in β ladder)trans-138.6174.2173.8-61.7179-173.8172.31.7108.1F200 H201F200-R210 CarbonylContact C-O 3.57Å; F200-R210 WeakPolarHBondContact CA-O 3.46Å; H201-R210 PolarHBondContact N-O 3.21Å; H201-R210 PolarHBondContact O-N 3.46Å
211F98.3Very high97.7Very high61 Ų6149.9 Ų49.927%0.26825%0.247SC..EExtended strand (participates in β ladder)trans-130.8150.9170.459.4-84.6000110.9V146 T150 W154 F198 C199 F200V146-F211 HydrophobicContact CG1-CD1 4.3Å; V146-F211 WeakPolarHBondContact O-CE1 3.34Å; T150-F211 HydrophobicContact CG2-CE2 4.48Å; T150-F211 HydrophobicContact CG2-CZ 4.09Å; W154-F211 HydrophobicContact CH2-CD2 4.35Å; W154-F211 HydrophobicContact CH2-CE2 4.12Å; W154-F211 HydrophobicContact CH2-CZ 4.25Å; W154-F211 HydrophobicContact CZ2-CD2 4.36Å; W154-F211 AromaticContact CZ2-CE2 3.88Å; W154-F211 HydrophobicContact CZ2-CE2 3.88Å; W154-F211 HydrophobicContact CZ2-CZ 4.22Å; F198-F211 HydrophobicContact CD2-CB 3.89Å; F198-F211 HydrophobicContact CD2-CD2 4.36Å; F198-F211 HydrophobicContact CE2-CB 3.71Å; F198-F211 HydrophobicContact CE2-CD2 4.24Å; F198-F211 HydrophobicContact CE2-CG 4.19Å; C199-F211 VanDerWaalsContact O-CA 3.27Å; C199-F211 WeakPolarHBondContact O-CA 3.37Å; F200-F211 HydrophobicContact CD1-CB 3.6Å; F200-F211 HydrophobicContact CD1-CD1 4.35Å; F200-F211 HydrophobicContact CD1-CG 4.37Å; F200-F211 HydrophobicContact CE1-CB 3.82Å; F200-F211 HydrophobicContact CE1-CD1 4.01Å; F200-F211 HydrophobicContact CE1-CG 4.16Å; F200-F211 HydrophobicContact CG-CB 4.25Å
212G97.4Very high97.7Very high7 Ų749.8 Ų49.87%0.07225%0.247CC..PPolyproline II helixtrans-84.5173.2176.800000113C199 G257 A258C199-G212 PolarHBondContact O-N 3.42Å; G212-G257 WeakPolarHBondContact CA-O 3.26Å; G212-A258 CarbonylContact C-O 3.54Å; G212-A258 WeakPolarHBondContact CA-O 3.2Å
213E97.7Very high97.8Very high123 Ų12349.8 Ų49.858%0.57525%0.247SC*.PPolyproline II helixtrans-66.5144.8173.1-64.7-62.6152.800111.2A258 V259E213-A258 PolarHBondContact N-O 2.88Å; E213-V259 HydrophobicContact CB-CG2 4.45Å; E213-V259 HydrophobicContact CG-CG2 4.14Å
214P97.6Very high97.8Very high28 Ų2846 Ų4618%0.18223%0.226CC..PPolyproline II helixtrans-69.8152.6177.829.5-34.7000112.5R196 A197 P216R196-P214 HydrophobicContact CB-CB 3.61Å; R196-P214 HydrophobicContact CG-CB 4.43Å; A197-P214 WeakPolarHBondContact O-CA 3.46Å; P214-P216 WeakPolarHBondContact O-CD 2.97Å
215I98.3Very high97.8Very high0 Ų044.3 Ų44.30%022%0.216CC..PPolyproline II helixtrans-54.5124.6170.8-64.1173.1000108.8R196 A197 A217 A251 F260R196-I215 WeakPolarHBondContact CD-O 3.27Å; A197-I215 HydrophobicContact CB-CD1 3.91Å; A197-I215 WeakPolarHBondContact O-CG1 3.47Å; A197-I215 PolarHBondContact O-N 2.96Å; I215-A217 PolarHBondContact O-N 3.33Å; I215-A251 HydrophobicContact CD1-CB 3.57Å; I215-A251 HydrophobicContact CG1-CB 3.85Å; I215-A251 HydrophobicContact CG2-CB 4.07Å; I215-F260 HydrophobicContact CG1-CB 3.84Å; I215-F260 HydrophobicContact CG1-CD1 4.43Å; I215-F260 HydrophobicContact CG1-CD2 4.27Å; I215-F260 HydrophobicContact CG1-CG 3.92Å
216P97.3Very high97.8Very high56 Ų5642.1 Ų42.136%0.36421%0.206SC..  trans-62.3-41.7-172.1-28.936000115R196 P214 F260R196-P216 PolarHBondContact NH1-O 2.76Å; R196-P216 PolarHBondContact NH2-O 3.4Å; P214-P216 WeakPolarHBondContact O-CD 2.97Å; P216-F260 WeakPolarHBondContact CD-O 3.29Å
217A96.4Very high97.8Very high33 Ų3343 Ų4327%0.27321%0.211SC..SBendtrans-171.8163.4178.200000107.8I215 E262 G263I215-A217 PolarHBondContact O-N 3.33Å; A217-E262 HydrophobicContact CB-CG 4.31Å; A217-G263 WeakPolarHBondContact O-CA 3.27Å; A217-G263 PolarHBondContact O-N 3.31Å
218P96.5Very high97.8Very high29 Ų2933.8 Ų33.819%0.18818%0.177CC..SBendcis-72.2-178.9-14.634.1-37.9000112S220 L245 V249 G263 L265P218-S220 PolarHBondContact O-N 3.09Å; P218-L245 HydrophobicContact CB-CD1 3.55Å; P218-L245 HydrophobicContact CG-CD1 4.07Å; P218-V249 HydrophobicContact CG-CB 4.5Å; P218-V249 HydrophobicContact CG-CG1 4.1Å; P218-V249 HydrophobicContact CG-CG2 3.53Å; P218-G263 VanDerWaalsContact CD-O 3.31Å; P218-G263 WeakPolarHBondContact CD-O 3.5Å; P218-L265 HydrophobicContact CG-CD2 4.29Å
219E96.2Very high97.6Very high78 Ų7832.5 Ų32.536%0.36417%0.165SC..  trans-56.7134.5178.1-51.2-172.3158.500111.8T194 P195 S243T194-E219 HydrophobicContact CG2-CG 3.93Å; P195-E219 HydrophobicContact CG-CB 4.22Å; E219-S243 PolarHBondContact O-OG 3.33Å; E219-S243 VanDerWaalsContact O-OG 3.11Å
220S97.7Very high97.1Very high0 Ų033.4 Ų33.40%017%0.17CC..  trans-145.3138.3-173.145.10000111.6P195 R196 A197 P218 R242P195-S220 CarbonylContact C-O 3.34Å; P195-S220 PolarHBondContact O-N 3.29Å; R196-S220 CarbonylContact C-O 3.52Å; R196-S220 VanDerWaalsContact CA-O 3.24Å; R196-S220 WeakPolarHBondContact CA-O 3.28Å; R196-S220 PolarHBondContact N-O 2.79Å; R196-S220 VanDerWaalsContact N-O 3.14Å; A197-S220 PolarHBondContact N-O 2.98Å; A197-S220 PolarHBondContact N-OG 2.92Å; P218-S220 PolarHBondContact O-N 3.09Å; S220-R242 WeakPolarHBondContact CA-O 2.98Å
221V98.3Very high96.6Very high10 Ų1029.7 Ų29.76%0.06116%0.16CC..  trans-118-127.7178.7-69.50000110.3Y177 P195 C223 R242Y177-V221 HydrophobicContact CD2-CB 3.86Å; Y177-V221 HydrophobicContact CD2-CG1 3.94Å; Y177-V221 HydrophobicContact CE2-CB 3.93Å; Y177-V221 HydrophobicContact CE2-CG1 3.98Å; Y177-V221 HydrophobicContact CG-CB 4.25Å; P195-V221 HydrophobicContact CB-CG1 3.39Å; P195-V221 HydrophobicContact CG-CG1 3.8Å; V221-C223 PolarHBondContact O-N 2.85Å; V221-R242 HydrophobicContact CG2-CB 3.75Å; V221-R242 HydrophobicContact CG2-CG 3.57Å; V221-R242 PolarHBondContact N-O 2.74Å
222E98.8Very high96Very high13 Ų1332.9 Ų32.96%0.06118%0.18CC..SBendtrans-51.2131.4-176.9-61.5103.8136.400112.3G160 Y177 R242 H277 Y368G160-E222 WeakPolarHBondContact O-CA 3.24Å; G160-E222 VanDerWaalsContact O-CB 3.25Å; G160-E222 WeakPolarHBondContact O-CB 3.33Å; Y177-E222 HydrophobicContact CD1-CG 4.39Å; Y177-E222 HydrophobicContact CE1-CB 4.43Å; Y177-E222 HydrophobicContact CE1-CG 3.69Å; E222-R242 WeakPolarHBondContact O-CB 3.19Å; E222-R242 PolarHBondContact O-N 3.47Å; E222-R242 IonicContact OE1-NH1 3.38Å; E222-R242 PolarHBondContact OE1-NH1 3.14Å; E222-R242 VanDerWaalsContact OE2-CD 3.25Å; E222-R242 WeakPolarHBondContact OE2-CD 3.24Å; E222-R242 IonicContact OE2-CZ 2.7Å; E222-R242 IonicContact OE2-NE 2.95Å; E222-R242 IonicContact OE2-NH1 3.76Å; E222-R242 PolarHBondContact OE2-NH1 3.17Å; E222-H277 HydrophobicContact CB-CB 4.48Å; E222-Y368 PolarHBondContact OE1-OH 3.04Å
223C98.8Very high95.3Very high0 Ų034.5 Ų34.50%020%0.197CC..EExtended strand (participates in β ladder)trans-141.9160.9-174.871.20000112.3G160 P175 A197 V221 N240 A241G160-C223 PolarHBondContact O-N 3.05Å; P175-C223 VanDerWaalsContact CB-O 3.29Å; P175-C223 WeakPolarHBondContact CB-O 3.48Å; A197-C223 HydrophobicContact CB-CB 4.05Å; V221-C223 PolarHBondContact O-N 2.85Å; C223-N240 VanDerWaalsContact CA-O 3.26Å; C223-N240 WeakPolarHBondContact CA-O 3.47Å; C223-N240 WeakPolarHBondContact CB-O 3.25Å; C223-A241 HydrophobicContact CB-CB 3.63Å
224Q98.9Very high94.8Very high0 Ų030.6 Ų30.60%018%0.183CC..EExtended strand (participates in β ladder)trans-133160166.2-73.8-165.7-14.500110.1P161 H163 N240 S279 V280 D370P161-Q224 PolarHBondContact O-NE2 2.88Å; P161-Q224 VanDerWaalsContact O-NE2 3.15Å; H163-Q224 PolarHBondContact CE1-OE1 3.02Å; Q224-N240 PolarHBondContact N-O 2.92Å; Q224-N240 VanDerWaalsContact N-O 3.12Å; Q224-N240 PolarHBondContact O-N 2.61Å; Q224-S279 PolarHBondContact OE1-OG 3Å; Q224-V280 HydrophobicContact CB-CG2 4.03Å; Q224-D370 PolarHBondContact NE2-OD1 2.78Å
225M98.6Very high94.6Very high2 Ų231.7 Ų31.71%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-129.8150.7-172-60.2-178.2178.500111.6I165 P175 F198 C199 L237 Y238 C239 F260I165-M225 HydrophobicContact CD1-CB 4.25Å; I165-M225 WeakPolarHBondContact CG2-O 3.27Å; P175-M225 HydrophobicContact CB-CE 4.49Å; P175-M225 HydrophobicContact CB-CG 4.38Å; P175-M225 HydrophobicContact CG-CB 4.43Å; P175-M225 HydrophobicContact CG-CG 4.12Å; F198-M225 WeakPolarHBondContact O-CE 3.34Å; C199-M225 HydrophobicContact CB-CE 3.58Å; C199-M225 HydrophobicContact CB-SD 3.71Å; M225-L237 HydrophobicContact CB-CD1 4.05Å; M225-L237 HydrophobicContact SD-CD2 3.93Å; M225-L237 HydrophobicContact SD-CG 4.47Å; M225-Y238 CarbonylContact C-O 3.56Å; M225-Y238 WeakPolarHBondContact CA-O 3.26Å; M225-C239 HydrophobicContact CE-CB 4.3Å; M225-C239 HydrophobicContact CG-CB 4.16Å; M225-F260 HydrophobicContact CE-CE1 4.43Å; M225-F260 HydrophobicContact CE-CE2 3.98Å; M225-F260 HydrophobicContact CE-CZ 3.52Å; M225-F260 HydrophobicContact SD-CZ 3.97Å
226V98.2Very high94.5Very high8 Ų831.7 Ų31.75%0.04819%0.188CC..EExtended strand (participates in β ladder)trans-141.6136.5175.956.80000109.9V228 Y238 V280 G282 V327V226-V228 HydrophobicContact CG1-CG2 4.12Å; V226-Y238 HydrophobicContact CG1-CD1 3.63Å; V226-Y238 HydrophobicContact CG1-CG 4.02Å; V226-Y238 PolarHBondContact N-O 2.7Å; V226-Y238 WeakPolarHBondContact O-CB 2.88Å; V226-Y238 PolarHBondContact O-N 2.84Å; V226-V280 HydrophobicContact CB-CG2 4.12Å; V226-V280 HydrophobicContact CG1-CG2 4Å; V226-G282 VanDerWaalsContact CG2-N 3.29Å; V226-V327 HydrophobicContact CG1-CG1 4.2Å; V226-V327 HydrophobicContact CG1-CG2 4.12Å; V226-V327 HydrophobicContact CG2-CG2 4.41Å
227S97.4Very high94.6Very high24 Ų2429 Ų2917%0.16817%0.17CC..EExtended strand (participates in β ladder)trans-75120.9167.8168.10000109.2N235S227-N235 PolarHBondContact OG-ND2 3.12Å
228V96.9Very high94.7Very high0 Ų027.5 Ų27.50%016%0.157CC..EExtended strand (participates in β ladder)trans-109.8112179.5173.90000109.1V226 N235 V236 Y238 V327 P349V226-V228 HydrophobicContact CG1-CG2 4.12Å; V228-N235 WeakPolarHBondContact O-CA 3.31Å; V228-N235 PolarHBondContact O-ND2 3.36Å; V228-V236 HydrophobicContact CB-CG1 3.84Å; V228-V236 HydrophobicContact CG1-CG1 4.2Å; V228-V236 PolarHBondContact N-O 3.32Å; V228-V236 PolarHBondContact O-N 3.42Å; V228-Y238 HydrophobicContact CG2-CG 4.48Å; V228-V327 HydrophobicContact CG2-CG2 4.24Å; V228-P349 HydrophobicContact CB-CG 4.29Å; V228-P349 HydrophobicContact CG1-CG 3.47Å; V228-P349 VanDerWaalsContact CG1-CG 3.47Å; V228-P349 HydrophobicContact CG2-CB 4.27Å; V228-P349 HydrophobicContact CG2-CG 3.78Å
229D94.5Very high94.8Very high29 Ų2926.1 Ų26.116%0.15515%0.148CC..EExtended strand (participates in β ladder)trans-86.5138.6168.4-54.8-67.8000111.2K168 N235 P324 T325K168-D229 WeakPolarHBondContact CE-OD2 3.44Å; K168-D229 IonicContact NZ-OD1 3.25Å; K168-D229 PolarHBondContact NZ-OD1 3.31Å; K168-D229 IonicContact NZ-OD2 3.9Å; K168-D229 PolarHBondContact NZ-OD2 3.05Å; D229-N235 PolarHBondContact OD1-ND2 2.94Å; D229-P324 CarbonylContact O-C 3.53Å; D229-P324 VanDerWaalsContact O-CA 3.29Å; D229-P324 WeakPolarHBondContact O-CA 3.34Å; D229-T325 PolarHBondContact N-OG1 3.44Å; D229-T325 PolarHBondContact O-N 2.79Å; D229-T325 PolarHBondContact OD2-OG1 3.22Å
230E88.3Confident94.9Very high37 Ų3722.4 Ų22.417%0.17313%0.131CC..  trans-105.1161.6176.1-66.6-67.7157.800111.8D232 G233 S234 R350E230-D232 VanDerWaalsContact CB-OD1 3.27Å; E230-D232 WeakPolarHBondContact CB-OD1 3.37Å; E230-D232 PolarHBondContact O-N 3.12Å; E230-G233 PolarHBondContact O-N 3.4Å; E230-S234 WeakPolarHBondContact CB-OG 3.39Å; E230-S234 PolarHBondContact N-O 3.43Å; E230-R350 WeakPolarHBondContact OE1-CD 3.33Å; E230-R350 WeakPolarHBondContact OE1-CG 3.47Å
231E86.8Confident94.9Very high85 Ų8522.4 Ų22.440%0.39713%0.131SC..THydrogen-bonded Turntrans-64-26.3178.9-66.1-172.7165.200113G233 F321 P324E231-G233 PolarHBondContact O-N 3.22Å; E231-F321 HydrophobicContact CB-CD1 4.22Å; E231-P324 HydrophobicContact CG-CB 3.89Å; E231-P324 HydrophobicContact CG-CG 3.75Å
232D84.6Confident95Very high128 Ų12824 Ų2468%0.68414%0.136SC*.THydrogen-bonded Turntrans-79.5-1.2176.371.4-1.5000113.5E230 S234E230-D232 VanDerWaalsContact CB-OD1 3.27Å; E230-D232 WeakPolarHBondContact CB-OD1 3.37Å; E230-D232 PolarHBondContact O-N 3.12Å; D232-S234 VanDerWaalsContact C-N 3.3Å; D232-S234 WeakPolarHBondContact OD1-CB 3.41Å; D232-S234 PolarHBondContact OD1-N 3.21Å; D232-S234 PolarHBondContact OD1-OG 2.84Å
233G83.6Confident94.8Very high42 Ų4223.4 Ų23.443%0.43313%0.134SC..SBendtrans81.13.3-178.600000115.2E230 E231 L322E230-G233 PolarHBondContact O-N 3.4Å; E231-G233 PolarHBondContact O-N 3.22Å; G233-L322 VanDerWaalsContact CA-CD1 3.47Å
234S88.1Confident94.4Very high41 Ų4126.8 Ų26.829%0.28716%0.155SC..  trans-69.7153166.668.30000111E230 D232E230-S234 WeakPolarHBondContact CB-OG 3.39Å; E230-S234 PolarHBondContact N-O 3.43Å; D232-S234 VanDerWaalsContact C-N 3.3Å; D232-S234 WeakPolarHBondContact OD1-CB 3.41Å; D232-S234 PolarHBondContact OD1-N 3.21Å; D232-S234 PolarHBondContact OD1-OG 2.84Å
235N93.1Very high94.2Very high50 Ų5030.9 Ų30.927%0.26718%0.177SC..EExtended strand (participates in β ladder)trans-128.4142.6174.8-178.5-87.2000109S227 V228 D229S227-N235 PolarHBondContact OG-ND2 3.12Å; V228-N235 WeakPolarHBondContact O-CA 3.31Å; V228-N235 PolarHBondContact O-ND2 3.36Å; D229-N235 PolarHBondContact OD1-ND2 2.94Å
236V96.1Very high94.1Very high1 Ų131.9 Ų31.91%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-136.9138174.964.50000109.6V228 Y238 L252 S253 L254 R350V228-V236 HydrophobicContact CB-CG1 3.84Å; V228-V236 HydrophobicContact CG1-CG1 4.2Å; V228-V236 PolarHBondContact N-O 3.32Å; V228-V236 PolarHBondContact O-N 3.42Å; V236-Y238 PolarHBondContact O-N 3.39Å; V236-L252 HydrophobicContact CG2-CB 3.76Å; V236-L252 HydrophobicContact CG2-CD1 4.46Å; V236-L252 HydrophobicContact CG2-CD2 4.03Å; V236-L252 HydrophobicContact CG2-CG 4.29Å; V236-S253 VanDerWaalsContact CG2-O 3.31Å; V236-S253 WeakPolarHBondContact CG2-O 3.43Å; V236-L254 HydrophobicContact CB-CD2 4.36Å; V236-L254 HydrophobicContact CG2-CD2 4.02Å; V236-R350 HydrophobicContact CG1-CG 3.95Å
237L98.3Very high94.1Very high0 Ų035.6 Ų35.60%020%0.202CC..EExtended strand (participates in β ladder)trans-81114.9167.7-175.569.4000108.8I165 L167 L173 M225 L252 S253 G257 F260I165-L237 HydrophobicContact CD1-CD1 3.86Å; L167-L237 HydrophobicContact CD2-CD1 4.31Å; L173-L237 HydrophobicContact CD1-CD1 3.63Å; L173-L237 HydrophobicContact CD1-CD2 3.66Å; L173-L237 HydrophobicContact CD1-CG 4.32Å; M225-L237 HydrophobicContact CB-CD1 4.05Å; M225-L237 HydrophobicContact SD-CD2 3.93Å; M225-L237 HydrophobicContact SD-CG 4.47Å; L237-L252 CarbonylContact O-C 3.51Å; L237-L252 WeakPolarHBondContact O-CA 3.43Å; L237-S253 PolarHBondContact N-O 2.76Å; L237-S253 PolarHBondContact O-N 3.23Å; L237-G257 VanDerWaalsContact CD2-CA 3.44Å; L237-F260 HydrophobicContact CD2-CE1 4.33Å; L237-F260 HydrophobicContact CD2-CZ 3.88Å
238Y98.5Very high94.1Very high0 Ų034.5 Ų34.50%019%0.194CC..EExtended strand (participates in β ladder)trans-94.1129177177.5-82.2000109.9M225 V226 V228 V236 N240 Q250 L252 P349M225-Y238 CarbonylContact C-O 3.56Å; M225-Y238 WeakPolarHBondContact CA-O 3.26Å; V226-Y238 HydrophobicContact CG1-CD1 3.63Å; V226-Y238 HydrophobicContact CG1-CG 4.02Å; V226-Y238 PolarHBondContact N-O 2.7Å; V226-Y238 WeakPolarHBondContact O-CB 2.88Å; V226-Y238 PolarHBondContact O-N 2.84Å; V228-Y238 HydrophobicContact CG2-CG 4.48Å; V236-Y238 PolarHBondContact O-N 3.39Å; Y238-N240 HydrophobicContact CE1-CB 3.82Å; Y238-N240 PolarHBondContact OH-ND2 2.95Å; Y238-Q250 HydrophobicContact CD2-CG 4.12Å; Y238-Q250 HydrophobicContact CE2-CB 4.42Å; Y238-Q250 HydrophobicContact CE2-CG 3.41Å; Y238-Q250 VanDerWaalsContact CE2-CG 3.41Å; Y238-Q250 PolarHBondContact OH-OE1 2.92Å; Y238-L252 HydrophobicContact CD2-CD2 3.74Å; Y238-L252 HydrophobicContact CG-CD2 4.4Å; Y238-P349 WeakPolarHBondContact CE2-O 3.43Å
239C98.7Very high94.2Very high0 Ų034.5 Ų34.50%019%0.194CC..EExtended strand (participates in β ladder)trans-114.1131.3173.9179.30000110.3M225 Q250 A251 F260M225-C239 HydrophobicContact CE-CB 4.3Å; M225-C239 HydrophobicContact CG-CB 4.16Å; C239-Q250 WeakPolarHBondContact O-CA 3.39Å; C239-A251 HydrophobicContact CB-CB 4.48Å; C239-A251 PolarHBondContact N-O 2.85Å; C239-A251 PolarHBondContact O-N 2.98Å; C239-F260 HydrophobicContact CB-CD1 4.25Å; C239-F260 HydrophobicContact CB-CE1 3.63Å; C239-F260 HydrophobicContact CB-CZ 4.23Å
240N98.8Very high94.4Very high1 Ų133.1 Ų33.11%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-115.9110.9173.1-166.7-72.9000109.6C223 Q224 Y238 R248 V280C223-N240 VanDerWaalsContact CA-O 3.26Å; C223-N240 WeakPolarHBondContact CA-O 3.47Å; C223-N240 WeakPolarHBondContact CB-O 3.25Å; Q224-N240 PolarHBondContact N-O 2.92Å; Q224-N240 VanDerWaalsContact N-O 3.12Å; Q224-N240 PolarHBondContact O-N 2.61Å; Y238-N240 HydrophobicContact CE1-CB 3.82Å; Y238-N240 PolarHBondContact OH-ND2 2.95Å; N240-R248 PolarHBondContact O-NH2 2.86Å; N240-R248 VanDerWaalsContact OD1-CZ 3.24Å; N240-R248 PolarHBondContact OD1-NE 2.84Å; N240-R248 PolarHBondContact OD1-NH2 3.5Å; N240-V280 HydrophobicContact CB-CG1 3.49Å; N240-V280 VanDerWaalsContact CB-CG1 3.49Å
241A98.7Very high94.9Very high0 Ų031.4 Ų31.40%018%0.179CC..EExtended strand (participates in β ladder)trans-117.1145.6-173.300000112.5A197 C223 R248 V249A197-A241 HydrophobicContact CB-CB 4.21Å; C223-A241 HydrophobicContact CB-CB 3.63Å; A241-R248 PolarHBondContact O-NE 3.09Å; A241-V249 HydrophobicContact CB-CB 4.38Å; A241-V249 PolarHBondContact N-O 2.94Å; A241-V249 PolarHBondContact O-N 3.41Å
242R98.6Very high95.4Very high43 Ų4328.3 Ų28.316%0.16216%0.164CC..  trans-68.1143170.7169.4-176.4166.6-157.6-1.7110.1S220 V221 E222 R248 E271 N274 Y368S220-R242 WeakPolarHBondContact CA-O 2.98Å; V221-R242 HydrophobicContact CG2-CB 3.75Å; V221-R242 HydrophobicContact CG2-CG 3.57Å; V221-R242 PolarHBondContact N-O 2.74Å; E222-R242 WeakPolarHBondContact O-CB 3.19Å; E222-R242 PolarHBondContact O-N 3.47Å; E222-R242 IonicContact OE1-NH1 3.38Å; E222-R242 PolarHBondContact OE1-NH1 3.14Å; E222-R242 VanDerWaalsContact OE2-CD 3.25Å; E222-R242 WeakPolarHBondContact OE2-CD 3.24Å; E222-R242 IonicContact OE2-CZ 2.7Å; E222-R242 IonicContact OE2-NE 2.95Å; E222-R242 IonicContact OE2-NH1 3.76Å; E222-R242 PolarHBondContact OE2-NH1 3.17Å; R242-R248 VanDerWaalsContact CA-NH1 3.29Å; R242-E271 WeakPolarHBondContact CA-OE1 3.4Å; R242-E271 WeakPolarHBondContact CG-OE1 3.46Å; R242-N274 PolarHBondContact NE-O 3.24Å; R242-N274 PolarHBondContact NH2-O 3.36Å; R242-Y368 PolarHBondContact NH1-OH 2.69Å
243S95.6Very high96Very high1 Ų122.2 Ų22.21%0.00713%0.132CC..  trans-141.3148.6178.6-173.70000112.2E219 L245 Y247 E271E219-S243 PolarHBondContact O-OG 3.33Å; E219-S243 VanDerWaalsContact O-OG 3.11Å; S243-L245 PolarHBondContact O-N 2.67Å; S243-L245 WeakPolarHBondContact OG-CG 3.34Å; S243-L245 PolarHBondContact OG-N 3.31Å; S243-Y247 WeakPolarHBondContact CB-O 3.25Å; S243-E271 PolarHBondContact N-OE1 3.1Å
244P90.8Very high96.6Very high70 Ų7025.8 Ų25.846%0.45514%0.14SC..THydrogen-bonded Turntrans-74.4-2.3171.232.4-37000113.4G246P244-G246 VanDerWaalsContact C-N 3.27Å; P244-G246 PolarHBondContact O-N 3.28Å
245L94.2Very high97Very high86 Ų8626.9 Ų26.945%0.4514%0.143SC..THydrogen-bonded Turntrans-84.99.9-172.2-59.9178.4000114.6P218 S243 Y247 L265P218-L245 HydrophobicContact CB-CD1 3.55Å; P218-L245 HydrophobicContact CG-CD1 4.07Å; S243-L245 PolarHBondContact O-N 2.67Å; S243-L245 WeakPolarHBondContact OG-CG 3.34Å; S243-L245 PolarHBondContact OG-N 3.31Å; L245-Y247 VanDerWaalsContact C-N 3.29Å; L245-Y247 PolarHBondContact O-N 3.32Å; L245-L265 HydrophobicContact CB-CD1 4.22Å; L245-L265 HydrophobicContact CB-CD2 3.93Å; L245-L265 HydrophobicContact CD1-CD1 4.28Å; L245-L265 HydrophobicContact CD1-CD2 4.05Å
246G96Very high97.1Very high24 Ų2426.7 Ų26.725%0.24714%0.142CC..SBendtrans82.6-0.9177.100000115.2P244 E271P244-G246 VanDerWaalsContact C-N 3.27Å; P244-G246 PolarHBondContact O-N 3.28Å; G246-E271 PolarHBondContact O-N 3.18Å
247Y97.8Very high97.1Very high86 Ų8626.7 Ų26.734%0.33714%0.142SC..EExtended strand (participates in β ladder)trans-142.8157.8176-57.3-79.4000110.8S243 L245 Q267 L269 V270S243-Y247 WeakPolarHBondContact CB-O 3.25Å; L245-Y247 VanDerWaalsContact C-N 3.29Å; L245-Y247 PolarHBondContact O-N 3.32Å; Y247-Q267 HydrophobicContact CE1-CB 4.39Å; Y247-Q267 WeakPolarHBondContact CE1-O 3.23Å; Y247-L269 CarbonylContact C-O 3.56Å; Y247-L269 WeakPolarHBondContact CA-O 3.29Å; Y247-V270 HydrophobicContact CD1-CG1 4.29Å; Y247-V270 HydrophobicContact CE1-CG1 4.09Å
248R98.4Very high97Very high0 Ų028.2 Ų28.20%016%0.155CC..EExtended strand (participates in β ladder)trans-63.9147.1171.4-59.1-58.9-70.1-167.7-4.8111.2N240 A241 R242 L265 V266 L269 E271 C276 Y329N240-R248 PolarHBondContact O-NH2 2.86Å; N240-R248 VanDerWaalsContact OD1-CZ 3.24Å; N240-R248 PolarHBondContact OD1-NE 2.84Å; N240-R248 PolarHBondContact OD1-NH2 3.5Å; A241-R248 PolarHBondContact O-NE 3.09Å; R242-R248 VanDerWaalsContact CA-NH1 3.29Å; R248-L265 WeakPolarHBondContact O-CA 3.36Å; R248-V266 PolarHBondContact O-N 2.79Å; R248-L269 HydrophobicContact CB-CB 3.91Å; R248-L269 HydrophobicContact CB-CD1 4.31Å; R248-L269 HydrophobicContact CG-CB 3.55Å; R248-L269 HydrophobicContact CG-CD1 4.21Å; R248-L269 PolarHBondContact N-O 2.94Å; R248-E271 WeakPolarHBondContact CD-OE1 3.25Å; R248-E271 IonicContact CZ-OE1 2.73Å; R248-E271 IonicContact NE-OE1 3.62Å; R248-E271 IonicContact NH1-OE1 3.63Å; R248-E271 PolarHBondContact NH1-OE1 3.45Å; R248-C276 PolarHBondContact NH1-O 3.13Å; R248-Y329 WeakPolarHBondContact CD-OH 3.29Å; R248-Y329 WeakPolarHBondContact CG-OH 3.31Å; R248-Y329 PolarHBondContact NE-OH 3.35Å
249V98.6Very high96.9Very high0 Ų031.8 Ų31.80%018%0.176CC..EExtended strand (participates in β ladder)trans-98.7125.4170.9173.70000108.4P218 A241 Q264 L265P218-V249 HydrophobicContact CG-CB 4.5Å; P218-V249 HydrophobicContact CG-CG1 4.1Å; P218-V249 HydrophobicContact CG-CG2 3.53Å; A241-V249 HydrophobicContact CB-CB 4.38Å; A241-V249 PolarHBondContact N-O 2.94Å; A241-V249 PolarHBondContact O-N 3.41Å; V249-Q264 WeakPolarHBondContact CA-O 3.26Å; V249-L265 HydrophobicContact CG2-CD2 3.79Å
250Q98.4Very high96.9Very high1 Ų132 Ų321%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-105.6127.9172.1167.5177.7-43.400109.2Y238 C239 G263 Q264 V266 R350Y238-Q250 HydrophobicContact CD2-CG 4.12Å; Y238-Q250 HydrophobicContact CE2-CB 4.42Å; Y238-Q250 HydrophobicContact CE2-CG 3.41Å; Y238-Q250 VanDerWaalsContact CE2-CG 3.41Å; Y238-Q250 PolarHBondContact OH-OE1 2.92Å; C239-Q250 WeakPolarHBondContact O-CA 3.39Å; Q250-G263 CarbonylContact O-C 3.53Å; Q250-G263 WeakPolarHBondContact O-CA 3.33Å; Q250-Q264 HydrophobicContact CB-CG 4.22Å; Q250-Q264 HydrophobicContact CG-CG 4.49Å; Q250-Q264 PolarHBondContact N-O 2.99Å; Q250-Q264 PolarHBondContact O-N 3.46Å; Q250-V266 HydrophobicContact CB-CG2 3.42Å; Q250-V266 VanDerWaalsContact CB-CG2 3.42Å; Q250-V266 HydrophobicContact CG-CG2 4.48Å; Q250-R350 PolarHBondContact NE2-O 3.39Å; Q250-R350 VanDerWaalsContact NE2-O 3.13Å
251A98.3Very high96.8Very high1 Ų136.6 Ų36.61%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-130153.1171.500000110.8I215 C239 F260I215-A251 HydrophobicContact CD1-CB 3.57Å; I215-A251 HydrophobicContact CG1-CB 3.85Å; I215-A251 HydrophobicContact CG2-CB 4.07Å; C239-A251 HydrophobicContact CB-CB 4.48Å; C239-A251 PolarHBondContact N-O 2.85Å; C239-A251 PolarHBondContact O-N 2.98Å; A251-F260 HydrophobicContact CB-CB 4.41Å; A251-F260 HydrophobicContact CB-CD1 4.01Å
252L98.1Very high96.8Very high19 Ų1943.4 Ų43.410%0.09923%0.231CC..EExtended strand (participates in β ladder)trans-122.5138.8-176.1-60.2-178.1000110.1V236 L237 Y238 Q261V236-L252 HydrophobicContact CG2-CB 3.76Å; V236-L252 HydrophobicContact CG2-CD1 4.46Å; V236-L252 HydrophobicContact CG2-CD2 4.03Å; V236-L252 HydrophobicContact CG2-CG 4.29Å; L237-L252 CarbonylContact O-C 3.51Å; L237-L252 WeakPolarHBondContact O-CA 3.43Å; Y238-L252 HydrophobicContact CD2-CD2 3.74Å; Y238-L252 HydrophobicContact CG-CD2 4.4Å; L252-Q261 PolarHBondContact O-N 2.88Å
253S98Very high96.7Very high0 Ų041.9 Ų41.90%023%0.228CC..EExtended strand (participates in β ladder)trans-123.6131.4172160.20000109.7V236 L237 D255 D256 G257 V259V236-S253 VanDerWaalsContact CG2-O 3.31Å; V236-S253 WeakPolarHBondContact CG2-O 3.43Å; L237-S253 PolarHBondContact N-O 2.76Å; L237-S253 PolarHBondContact O-N 3.23Å; S253-D255 PolarHBondContact OG-N 2.78Å; S253-D255 PolarHBondContact OG-OD1 2.87Å; S253-D256 PolarHBondContact OG-N 3.03Å; S253-G257 WeakPolarHBondContact OG-CA 3.49Å; S253-G257 PolarHBondContact OG-N 2.99Å; S253-V259 WeakPolarHBondContact CA-O 3.4Å; S253-V259 WeakPolarHBondContact CB-O 3.07Å; S253-V259 PolarHBondContact OG-O 3.43Å; S253-V259 VanDerWaalsContact OG-O 3.06Å
254L96.2Very high96.8Very high117 Ų11745.7 Ų45.761%0.61325%0.246SC*.SBendtrans-96.80.8178.3-60.7175.9000112.5V236V236-L254 HydrophobicContact CB-CD2 4.36Å; V236-L254 HydrophobicContact CG2-CD2 4.02Å
255D95.3Very high97.1Very high64 Ų6445.6 Ų45.634%0.34224%0.241SC..SBendtrans-128.433.5-174.3631.2000111.6R171 S253 G257 A258 V259R171-D255 PolarHBondContact NH1-O 3.27Å; S253-D255 PolarHBondContact OG-N 2.78Å; S253-D255 PolarHBondContact OG-OD1 2.87Å; D255-G257 VanDerWaalsContact C-N 3.28Å; D255-G257 PolarHBondContact O-N 3.32Å; D255-A258 HydrophobicContact CB-CB 4.37Å; D255-A258 PolarHBondContact O-N 2.87Å; D255-A258 PolarHBondContact OD1-N 3.02Å; D255-V259 VanDerWaalsContact CG-N 3.33Å; D255-V259 PolarHBondContact OD1-N 3.02Å; D255-V259 VanDerWaalsContact OD1-O 3.05Å; D255-V259 WeakPolarHBondContact OD2-CB 3.38Å; D255-V259 WeakPolarHBondContact OD2-CG2 3.44Å; D255-V259 PolarHBondContact OD2-N 2.84Å; D255-V259 VanDerWaalsContact OD2-N 3.12Å
256D95.7Very high97.3Very high47 Ų4741.5 Ų41.525%0.25122%0.22SC..THydrogen-bonded Turntrans5641.2172.5-67.2-20.6000113.3L167 R171 S253L167-D256 HydrophobicContact CD1-CB 3.52Å; L167-D256 VanDerWaalsContact CD1-CG 3.48Å; R171-D256 VanDerWaalsContact NH1-CB 3.3Å; R171-D256 PolarHBondContact NH1-O 2.92Å; S253-D256 PolarHBondContact OG-N 3.03Å
257G95.8Very high97.3Very high0 Ų047.1 Ų47.10%024%0.239CC..THydrogen-bonded Turntrans90.38.7173.600000115.5C199 G212 L237 S253 D255C199-G257 PolarHBondContact SG-O 2.87Å; C199-G257 VanDerWaalsContact SG-O 3.4Å; G212-G257 WeakPolarHBondContact CA-O 3.26Å; L237-G257 VanDerWaalsContact CD2-CA 3.44Å; S253-G257 WeakPolarHBondContact OG-CA 3.49Å; S253-G257 PolarHBondContact OG-N 2.99Å; D255-G257 VanDerWaalsContact C-N 3.28Å; D255-G257 PolarHBondContact O-N 3.32Å
258A95.9Very high97.2Very high32 Ų3245 Ų4526%0.26424%0.238SC..SBendtrans-75.3-39.2174.400000111.9G212 E213 D255G212-A258 CarbonylContact C-O 3.54Å; G212-A258 WeakPolarHBondContact CA-O 3.2Å; E213-A258 PolarHBondContact N-O 2.88Å; D255-A258 HydrophobicContact CB-CB 4.37Å; D255-A258 PolarHBondContact O-N 2.87Å; D255-A258 PolarHBondContact OD1-N 3.02Å
259V97.1Very high97.2Very high75 Ų7545.1 Ų45.146%0.45524%0.238SC..SBendtrans-139.8134.6175.2-175.80000110.5E213 S253 D255E213-V259 HydrophobicContact CB-CG2 4.45Å; E213-V259 HydrophobicContact CG-CG2 4.14Å; S253-V259 WeakPolarHBondContact CA-O 3.4Å; S253-V259 WeakPolarHBondContact CB-O 3.07Å; S253-V259 PolarHBondContact OG-O 3.43Å; S253-V259 VanDerWaalsContact OG-O 3.06Å; D255-V259 VanDerWaalsContact CG-N 3.33Å; D255-V259 PolarHBondContact OD1-N 3.02Å; D255-V259 VanDerWaalsContact OD1-O 3.05Å; D255-V259 WeakPolarHBondContact OD2-CB 3.38Å; D255-V259 WeakPolarHBondContact OD2-CG2 3.44Å; D255-V259 PolarHBondContact OD2-N 2.84Å; D255-V259 VanDerWaalsContact OD2-N 3.12Å
260F97.9Very high97.1Very high5 Ų546.5 Ų46.52%0.02225%0.246CC..PPolyproline II helixtrans-100.1141.6171.5-73.1-86.1000111.6I215 P216 M225 L237 C239 A251I215-F260 HydrophobicContact CG1-CB 3.84Å; I215-F260 HydrophobicContact CG1-CD1 4.43Å; I215-F260 HydrophobicContact CG1-CD2 4.27Å; I215-F260 HydrophobicContact CG1-CG 3.92Å; P216-F260 WeakPolarHBondContact CD-O 3.29Å; M225-F260 HydrophobicContact CE-CE1 4.43Å; M225-F260 HydrophobicContact CE-CE2 3.98Å; M225-F260 HydrophobicContact CE-CZ 3.52Å; M225-F260 HydrophobicContact SD-CZ 3.97Å; L237-F260 HydrophobicContact CD2-CE1 4.33Å; L237-F260 HydrophobicContact CD2-CZ 3.88Å; C239-F260 HydrophobicContact CB-CD1 4.25Å; C239-F260 HydrophobicContact CB-CE1 3.63Å; C239-F260 HydrophobicContact CB-CZ 4.23Å; A251-F260 HydrophobicContact CB-CB 4.41Å; A251-F260 HydrophobicContact CB-CD1 4.01Å
261Q97.4Very high97.1Very high97 Ų9746.6 Ų46.645%0.45325%0.247SC..PPolyproline II helixtrans-66.3165.1164.9-62.4177.918.900110.4L252 G263L252-Q261 PolarHBondContact O-N 2.88Å; Q261-G263 PolarHBondContact O-N 2.83Å
262E97.8Very high96.9Very high144 Ų14446.9 Ų46.967%0.67325%0.248SC*.PPolyproline II helixtrans-56.5131.6171.7-167.4172.2-175.400110.2A217A217-E262 HydrophobicContact CB-CG 4.31Å
263G97.5Very high96.4Very high10 Ų1056.1 Ų56.110%0.10328%0.282CS..PPolyproline II helixtrans-75.9155.9-179.200000112.2A217 P218 Q250 Q261A217-G263 WeakPolarHBondContact O-CA 3.27Å; A217-G263 PolarHBondContact O-N 3.31Å; P218-G263 VanDerWaalsContact CD-O 3.31Å; P218-G263 WeakPolarHBondContact CD-O 3.5Å; Q250-G263 CarbonylContact O-C 3.53Å; Q250-G263 WeakPolarHBondContact O-CA 3.33Å; Q261-G263 PolarHBondContact O-N 2.83Å
264Q97.7Very high95.9Very high81 Ų8161.8 Ų61.838%0.37931%0.312SS..EExtended strand (participates in β ladder)trans-125.3146.3177.361.4-174.9-40.600111.1V249 Q250V249-Q264 WeakPolarHBondContact CA-O 3.26Å; Q250-Q264 HydrophobicContact CB-CG 4.22Å; Q250-Q264 HydrophobicContact CG-CG 4.49Å; Q250-Q264 PolarHBondContact N-O 2.99Å; Q250-Q264 PolarHBondContact O-N 3.46Å
265L97.9Very high95.9Very high69 Ų6956.2 Ų56.236%0.36128%0.283SS..EExtended strand (participates in β ladder)trans-77.2128.8174.6-66.3174.8000110.3P218 L245 R248 V249P218-L265 HydrophobicContact CG-CD2 4.29Å; L245-L265 HydrophobicContact CB-CD1 4.22Å; L245-L265 HydrophobicContact CB-CD2 3.93Å; L245-L265 HydrophobicContact CD1-CD1 4.28Å; L245-L265 HydrophobicContact CD1-CD2 4.05Å; R248-L265 WeakPolarHBondContact O-CA 3.36Å; V249-L265 HydrophobicContact CG2-CD2 3.79Å
266V97.9Very high96Very high0 Ų053.1 Ų53.10%027%0.267CS..EExtended strand (participates in β ladder)trans-97.197.3-178.7-174.40000109.3R248 Q250 S268 L269 P352R248-V266 PolarHBondContact O-N 2.79Å; Q250-V266 HydrophobicContact CB-CG2 3.42Å; Q250-V266 VanDerWaalsContact CB-CG2 3.42Å; Q250-V266 HydrophobicContact CG-CG2 4.48Å; V266-S268 VanDerWaalsContact CG1-OG 3.31Å; V266-S268 WeakPolarHBondContact CG1-OG 3.27Å; V266-S268 PolarHBondContact O-N 2.81Å; V266-S268 VanDerWaalsContact O-N 3.13Å; V266-L269 HydrophobicContact CB-CB 4.28Å; V266-L269 HydrophobicContact CB-CD1 4.44Å; V266-L269 HydrophobicContact CB-CG 4.37Å; V266-L269 HydrophobicContact CG1-CB 4.08Å; V266-L269 HydrophobicContact CG1-CD1 3.97Å; V266-L269 HydrophobicContact CG1-CG 3.71Å; V266-L269 CarbonylContact O-C 3.54Å; V266-L269 PolarHBondContact O-N 3.33Å; V266-P352 HydrophobicContact CG1-CB 4.25Å; V266-P352 WeakPolarHBondContact CG1-O 3.35Å; V266-P352 HydrophobicContact CG2-CB 4.17Å
267Q95.9Very high96.2Very high141 Ų14150.9 Ų50.966%0.65926%0.255SS*.EExtended strand (participates in β ladder)trans-60.8-27.8-172.1-66.4-174.59.700114Y247 L269Y247-Q267 HydrophobicContact CE1-CB 4.39Å; Y247-Q267 WeakPolarHBondContact CE1-O 3.23Å; Q267-L269 VanDerWaalsContact C-N 3.27Å; Q267-L269 PolarHBondContact O-N 2.61Å
268S95.4Very high96.3Very high43 Ų4350.9 Ų50.930%0.30126%0.255SS..EExtended strand (participates in β ladder)trans-72.9-17.5176.9540000113.3V266 P352V266-S268 VanDerWaalsContact CG1-OG 3.31Å; V266-S268 WeakPolarHBondContact CG1-OG 3.27Å; V266-S268 PolarHBondContact O-N 2.81Å; V266-S268 VanDerWaalsContact O-N 3.13Å; S268-P352 PolarHBondContact OG-O 3.34Å
269L97.9Very high96.4Very high1 Ų149.4 Ų49.41%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-114.991.6-179.4-57.3-173.3000110.4Y247 R248 V266 Q267 Y329 F344 W355Y247-L269 CarbonylContact C-O 3.56Å; Y247-L269 WeakPolarHBondContact CA-O 3.29Å; R248-L269 HydrophobicContact CB-CB 3.91Å; R248-L269 HydrophobicContact CB-CD1 4.31Å; R248-L269 HydrophobicContact CG-CB 3.55Å; R248-L269 HydrophobicContact CG-CD1 4.21Å; R248-L269 PolarHBondContact N-O 2.94Å; V266-L269 HydrophobicContact CB-CB 4.28Å; V266-L269 HydrophobicContact CB-CD1 4.44Å; V266-L269 HydrophobicContact CB-CG 4.37Å; V266-L269 HydrophobicContact CG1-CB 4.08Å; V266-L269 HydrophobicContact CG1-CD1 3.97Å; V266-L269 HydrophobicContact CG1-CG 3.71Å; V266-L269 CarbonylContact O-C 3.54Å; V266-L269 PolarHBondContact O-N 3.33Å; Q267-L269 VanDerWaalsContact C-N 3.27Å; Q267-L269 PolarHBondContact O-N 2.61Å; L269-Y329 HydrophobicContact CB-CE1 4.34Å; L269-Y329 HydrophobicContact CD1-CD1 4.02Å; L269-Y329 HydrophobicContact CD1-CE1 4.04Å; L269-Y329 HydrophobicContact CD2-CD1 3.7Å; L269-Y329 HydrophobicContact CD2-CE1 3.84Å; L269-Y329 HydrophobicContact CG-CD1 4.41Å; L269-Y329 HydrophobicContact CG-CE1 4.3Å; L269-F344 HydrophobicContact CD2-CB 4.37Å; L269-F344 HydrophobicContact CD2-CD1 3.85Å; L269-F344 HydrophobicContact CD2-CD2 4.5Å; L269-F344 HydrophobicContact CD2-CE1 4.19Å; L269-F344 HydrophobicContact CD2-CG 4.01Å; L269-W355 HydrophobicContact CD1-CD2 4Å; L269-W355 HydrophobicContact CD1-CG 4.23Å; L269-W355 HydrophobicContact CD1-CZ2 4.05Å; L269-W355 HydrophobicContact CD2-CB 4.11Å; L269-W355 HydrophobicContact CD2-CD2 3.96Å; L269-W355 HydrophobicContact CD2-CE3 4.29Å; L269-W355 HydrophobicContact CD2-CG 3.88Å; L269-W355 HydrophobicContact CG-CD2 4.25Å; L269-W355 HydrophobicContact CG-CG 4.05Å
270V97.3Very high96.5Very high30 Ų3045.8 Ų45.818%0.18222%0.221CC..EExtended strand (participates in β ladder)trans-74.9153.4-176.6-61.80000113.3Y247 H331 T335Y247-V270 HydrophobicContact CD1-CG1 4.29Å; Y247-V270 HydrophobicContact CE1-CG1 4.09Å; V270-H331 PolarHBondContact O-CE1 2.88Å; V270-H331 PolarHBondContact O-ND1 3.41Å; V270-T335 HydrophobicContact CB-CG2 3.84Å; V270-T335 HydrophobicContact CG1-CG2 3.88Å; V270-T335 HydrophobicContact CG2-CG2 4.12Å
271E97.3Very high96.6Very high3 Ų346 Ų461%0.01422%0.222CC..  trans-116.5142.8170.5-75.3-84.1-16200110.3R242 S243 G246 R248 G275 C276 H331R242-E271 WeakPolarHBondContact CA-OE1 3.4Å; R242-E271 WeakPolarHBondContact CG-OE1 3.46Å; S243-E271 PolarHBondContact N-OE1 3.1Å; G246-E271 PolarHBondContact O-N 3.18Å; R248-E271 WeakPolarHBondContact CD-OE1 3.25Å; R248-E271 IonicContact CZ-OE1 2.73Å; R248-E271 IonicContact NE-OE1 3.62Å; R248-E271 IonicContact NH1-OE1 3.63Å; R248-E271 PolarHBondContact NH1-OE1 3.45Å; E271-G275 VanDerWaalsContact OE2-C 3.29Å; E271-G275 WeakPolarHBondContact OE2-CA 3.39Å; E271-C276 PolarHBondContact OE2-N 3.04Å; E271-H331 IonicContact OE2-CE1 3.63Å; E271-H331 IonicContact OE2-NE2 3.23Å; E271-H331 PolarHBondContact OE2-NE2 2.64Å
272P95.6Very high96.6Very high6 Ų642.5 Ų42.54%0.03921%0.212CC..  trans-64.6168.7164.628.9-34.9000110.9N274 G275 C276 T335 R338P272-N274 PolarHBondContact O-N 2.85Å; P272-G275 WeakPolarHBondContact O-CA 3.37Å; P272-G275 PolarHBondContact O-N 3.11Å; P272-C276 HydrophobicContact CG-CB 4.07Å; P272-T335 WeakPolarHBondContact CA-O 3.21Å; P272-R338 HydrophobicContact CG-CG 4.19Å
273R87.4Confident96.5Very high213 Ų21335.8 Ų35.880%0.80418%0.181SC*.THydrogen-bonded Turntrans-46.4-37.2-174.7-173.8177.8178.4-172.9-0.8116.4T335R273-T335 PolarHBondContact N-O 2.83Å
274N88Confident96.4Very high119 Ų11938.4 Ų38.464%0.63620%0.196SC*.THydrogen-bonded Turntrans-107.77.8178.8-62.9-15.4000112.5R242 P272R242-N274 PolarHBondContact NE-O 3.24Å; R242-N274 PolarHBondContact NH2-O 3.36Å; P272-N274 PolarHBondContact O-N 2.85Å
275G95.4Very high96.1Very high0 Ų034.7 Ų34.70%018%0.179CC..  trans65.1172.7-168.900000115.7E271 P272 R338E271-G275 VanDerWaalsContact OE2-C 3.29Å; E271-G275 WeakPolarHBondContact OE2-CA 3.39Å; P272-G275 WeakPolarHBondContact O-CA 3.37Å; P272-G275 PolarHBondContact O-N 3.11Å; G275-R338 PolarHBondContact O-NE 3.46Å; G275-R338 PolarHBondContact O-NH2 2.88Å
276C98.2Very high95.5Very high0 Ų033.4 Ų33.40%018%0.175CC..  trans-144.6151.1173.3-168.80000109.8R248 E271 P272 H331 P332 R338R248-C276 PolarHBondContact NH1-O 3.13Å; E271-C276 PolarHBondContact OE2-N 3.04Å; P272-C276 HydrophobicContact CG-CB 4.07Å; C276-H331 WeakPolarHBondContact CB-NE2 3.22Å; C276-H331 PolarHBondContact O-NE2 3.13Å; C276-P332 HydrophobicContact CB-CG 4.38Å; C276-R338 HydrophobicContact CB-CG 4.1Å
277H98.5Very high93.9Very high0 Ų039.5 Ų39.50%021%0.207CC..  trans-65.3148.5167.2172.9-94.2000109.7P161 E222 H331 Y368 S369P161-H277 PolarHBondContact O-NE2 2.84Å; E222-H277 HydrophobicContact CB-CB 4.48Å; H277-H331 PolarHBondContact O-CD2 2.88Å; H277-Y368 HydrophobicContact CB-CD1 3.73Å; H277-Y368 HydrophobicContact CB-CD2 3.42Å; H277-Y368 VanDerWaalsContact CB-CD2 3.42Å; H277-Y368 HydrophobicContact CB-CE1 3.74Å; H277-Y368 HydrophobicContact CB-CE2 3.43Å; H277-Y368 VanDerWaalsContact CB-CE2 3.43Å; H277-Y368 HydrophobicContact CB-CG 3.57Å; H277-Y368 AromaticContact CG-CD2 3.83Å; H277-S369 PolarHBondContact CE1-O 2.83Å; H277-S369 PolarHBondContact ND1-O 2.87Å
278G98.5Very high91.8Very high0 Ų042.9 Ų42.90%021%0.214CC..  trans-145.1161.3175.500000109.1S330G278-S330 VanDerWaalsContact CA-O 3.23Å; G278-S330 WeakPolarHBondContact CA-O 3.37Å
279S98.9Very high89.4Confident0 Ų042.4 Ų42.40%021%0.212CC..EExtended strand (participates in β ladder)trans-119.5143.7-173.5174.70000112.6Q224 Y329 S330 S369 D370 L371Q224-S279 PolarHBondContact OE1-OG 3Å; S279-Y329 CarbonylContact O-C 3.59Å; S279-Y329 VanDerWaalsContact O-CA 3.23Å; S279-Y329 WeakPolarHBondContact O-CA 3.08Å; S279-Y329 WeakPolarHBondContact O-CD2 3.23Å; S279-S330 PolarHBondContact N-O 2.93Å; S279-S330 PolarHBondContact O-N 3.34Å; S279-S369 VanDerWaalsContact CB-O 3.26Å; S279-S369 WeakPolarHBondContact CB-O 3.39Å; S279-D370 PolarHBondContact OG-OD1 3.47Å; S279-L371 WeakPolarHBondContact OG-CB 3.38Å; S279-L371 PolarHBondContact OG-N 3.47Å
280V98.8Very high86.5Confident0 Ų045.8 Ų45.80%024%0.235CC..EExtended strand (participates in β ladder)trans-124141.3176-46.70000110.5H163 Q224 V226 N240 V327 V328 Y329H163-V280 PolarHBondContact CE1-O 3.2Å; H163-V280 VanDerWaalsContact CE1-O 3.24Å; H163-V280 PolarHBondContact NE2-O 2.99Å; Q224-V280 HydrophobicContact CB-CG2 4.03Å; V226-V280 HydrophobicContact CB-CG2 4.12Å; V226-V280 HydrophobicContact CG1-CG2 4Å; N240-V280 HydrophobicContact CB-CG1 3.49Å; N240-V280 VanDerWaalsContact CB-CG1 3.49Å; V280-V327 HydrophobicContact CB-CG1 4.28Å; V280-V328 VanDerWaalsContact CA-O 3.31Å; V280-V328 WeakPolarHBondContact CA-O 3.11Å; V280-Y329 HydrophobicContact CG1-CD2 3.81Å
281V98.7Very high83.5Confident9 Ų951.9 Ų51.96%0.05526%0.262CS..EExtended strand (participates in β ladder)trans-137.5140.6167.2-710000110.4V327 V328 L371 F388V281-V327 WeakPolarHBondContact O-CA 3.34Å; V281-V328 HydrophobicContact CG2-CB 4.11Å; V281-V328 PolarHBondContact N-O 2.9Å; V281-V328 PolarHBondContact O-N 3.49Å; V281-L371 HydrophobicContact CB-CB 4.38Å; V281-L371 HydrophobicContact CG1-CB 3.71Å; V281-L371 WeakPolarHBondContact CG1-O 3.2Å; V281-L371 HydrophobicContact CG2-CB 3.78Å; V281-L371 HydrophobicContact CG2-CD1 4.08Å; V281-F388 HydrophobicContact CG2-CD1 4.12Å; V281-F388 HydrophobicContact CG2-CE1 4.45Å
282G97.8Very high80.4Confident24 Ų2455.4 Ų55.425%0.24729%0.291CS..EExtended strand (participates in β ladder)trans-95.1150.3172.100000111.4V226 W326V226-G282 VanDerWaalsContact CG2-N 3.29Å; G282-W326 WeakPolarHBondContact CA-O 3.42Å
283F96.6Very high77.6Confident3 Ų363.3 Ų63.31%0.01333%0.327CS..EExtended strand (participates in β ladder)trans-148.8153.1172.166.4-76.4000110.4A285 W326 V328 L345 Y373 V386 F388 L410F283-A285 PolarHBondContact O-N 2.9Å; F283-W326 HydrophobicContact CD1-CB 4.25Å; F283-W326 VanDerWaalsContact CD1-O 3.29Å; F283-W326 WeakPolarHBondContact CD1-O 3.48Å; F283-W326 HydrophobicContact CE1-CB 3.59Å; F283-W326 HydrophobicContact CE2-CB 3.98Å; F283-W326 HydrophobicContact CE2-CE3 4.03Å; F283-W326 HydrophobicContact CZ-CB 3.48Å; F283-W326 VanDerWaalsContact CZ-CB 3.48Å; F283-W326 HydrophobicContact CZ-CD2 4.39Å; F283-W326 AromaticContact CZ-CE3 3.82Å; F283-W326 HydrophobicContact CZ-CE3 3.82Å; F283-W326 HydrophobicContact CZ-CG 4.33Å; F283-W326 PolarHBondContact N-O 2.85Å; F283-W326 PolarHBondContact O-N 2.79Å; F283-V328 HydrophobicContact CD1-CG2 4.07Å; F283-V328 HydrophobicContact CE1-CG2 3.52Å; F283-V328 HydrophobicContact CZ-CG2 4.41Å; F283-L345 HydrophobicContact CE1-CD1 4.09Å; F283-L345 HydrophobicContact CZ-CD1 4.01Å; F283-Y373 HydrophobicContact CB-CD1 4.36Å; F283-Y373 HydrophobicContact CB-CD2 3.6Å; F283-Y373 HydrophobicContact CB-CE1 4.38Å; F283-Y373 HydrophobicContact CB-CE2 3.65Å; F283-Y373 HydrophobicContact CB-CG 3.97Å; F283-Y373 HydrophobicContact CG-CD2 4.45Å; F283-V386 HydrophobicContact CD2-CG1 3.76Å; F283-V386 HydrophobicContact CD2-CG2 4.33Å; F283-V386 HydrophobicContact CE2-CG1 4.02Å; F283-V386 HydrophobicContact CG-CG1 4.32Å; F283-F388 HydrophobicContact CB-CE1 4.44Å; F283-F388 AromaticContact CD1-CE1 3.62Å; F283-F388 HydrophobicContact CD1-CE1 3.62Å; F283-F388 AromaticContact CD1-CZ 3.64Å; F283-F388 HydrophobicContact CD1-CZ 3.64Å; F283-F388 HydrophobicContact CD2-CZ 4.21Å; F283-F388 AromaticContact CE1-CE1 3.99Å; F283-F388 HydrophobicContact CE1-CE1 3.99Å; F283-F388 AromaticContact CE1-CZ 3.58Å; F283-F388 HydrophobicContact CE1-CZ 3.58Å; F283-F388 HydrophobicContact CE2-CZ 4.14Å; F283-F388 AromaticContact CG-CE1 3.99Å; F283-F388 HydrophobicContact CG-CE1 3.99Å; F283-F388 AromaticContact CG-CZ 3.96Å; F283-F388 HydrophobicContact CG-CZ 3.96Å; F283-F388 AromaticContact CZ-CZ 3.8Å; F283-F388 HydrophobicContact CZ-CZ 3.8Å; F283-L410 HydrophobicContact CE2-CD1 4.13Å; F283-L410 HydrophobicContact CE2-CD2 3.78Å; F283-L410 HydrophobicContact CZ-CD1 3.78Å; F283-L410 HydrophobicContact CZ-CD2 4.27Å
284P94.5Very high75Confident64 Ų6457 Ų5742%0.41633%0.328SS..EExtended strand (participates in β ladder)trans-61.9132.5177.2-20.732.7000111.4T323P284-T323 HydrophobicContact CB-CG2 3.9Å
285A91.6Very high72.2Confident4 Ų454.1 Ų54.13%0.03333%0.327CS..PPolyproline II helixtrans-57.6132.7175.900000110.9F283 L287 T323 P324 W326F283-A285 PolarHBondContact O-N 2.9Å; A285-L287 PolarHBondContact O-N 2.75Å; A285-L287 VanDerWaalsContact O-N 3.13Å; A285-T323 HydrophobicContact CB-CG2 4.27Å; A285-T323 WeakPolarHBondContact O-CG2 3.36Å; A285-P324 HydrophobicContact CB-CG 3.85Å; A285-P324 VanDerWaalsContact CB-O 3.23Å; A285-P324 WeakPolarHBondContact CB-O 3.31Å; A285-P324 PolarHBondContact N-O 2.98Å; A285-W326 HydrophobicContact CB-CD2 4.07Å; A285-W326 HydrophobicContact CB-CG 4.01Å; A285-W326 HydrophobicContact CB-CZ2 4.36Å
286P85.4Confident69.2Low42 Ų4265.4 Ų65.427%0.27337%0.369SS..PPolyproline II helixtrans-64.9117.5176.7-16.528000110.5R288 A289 W326 L410P286-R288 PolarHBondContact O-N 2.73Å; P286-A289 PolarHBondContact O-N 2.82Å; P286-W326 HydrophobicContact CG-CZ3 4.28Å; P286-L410 HydrophobicContact CG-CD2 3.43Å; P286-L410 VanDerWaalsContact CG-CD2 3.43Å
287L64.6Low66Low128 Ų12871.7 Ų71.767%0.6741%0.408SS*.Hα-helixtrans-49.6-28.6-176.5-68.4168.6000114.5A285A285-L287 PolarHBondContact O-N 2.75Å; A285-L287 VanDerWaalsContact O-N 3.13Å
288R52.3Low62.7Low212 Ų21277.3 Ų77.380%0.845%0.447SS*.Hα-helixtrans-79.3-14.8-180-69.6-160.2165.5-165.8-2.7115.3P286 A292P286-R288 PolarHBondContact O-N 2.73Å; R288-A292 PolarHBondContact O-N 3.3Å
289A44.3Very low59.6Low32 Ų3282.7 Ų82.726%0.26448%0.482SS..Hα-helixtrans-76.1-29.5176.200000112.3P286 H293 W326P286-A289 PolarHBondContact O-N 2.82Å; A289-H293 PolarHBondContact O-ND1 3.41Å; A289-W326 HydrophobicContact CB-CH2 3.6Å; A289-W326 HydrophobicContact CB-CZ2 4.03Å
290C37.8Very low56.4Low72 Ų7289.1 Ų89.149%0.48653%0.526SS..Hα-helixtrans-71-34.7176.8-61.30000112.3
291E33.3Very low53.1Low159 Ų159100.2 Ų100.274%0.74357%0.568SS**Hα-helixtrans-77.9-29.8179.3-64.8-175.3149.300113.3H293E291-H293 PolarHBondContact O-N 3.3Å
292A32.3Very low49.8Very low76 Ų76108 Ų10863%0.62860%0.603SS**THydrogen-bonded Turntrans-77.6-13.1-172.100000115.1R288R288-A292 PolarHBondContact O-N 3.3Å
293H37.5Very low46.7Very low173 Ų173117.8 Ų117.880%0.80163%0.633SS**THydrogen-bonded Turntrans-93.25.6177.8-76.875.1000114A289 E291 G295A289-H293 PolarHBondContact O-ND1 3.41Å; E291-H293 PolarHBondContact O-N 3.3Å; H293-G295 PolarHBondContact O-N 3.19Å; H293-G295 VanDerWaalsContact O-N 3.16Å
294G31.4Very low43.8Very low79 Ų79123.2 Ų123.281%0.81467%0.666SS**  trans-74.812.3173.500000115.9
295G30.5Very low40.7Very low60 Ų60125.1 Ų125.162%0.61968%0.681SS**SBendtrans-124.394.8-173.200000114.8H293H293-G295 PolarHBondContact O-N 3.19Å; H293-G295 VanDerWaalsContact O-N 3.16Å
296R31.1Very low37.8Very low236 Ų236133 Ų13389%0.89172%0.722SS**SBendtrans59.886.9155.2-78.6176.8151.5-176.3-6118.3
297T31.4Very low35.3Very low132 Ų132137 Ų13781%0.8175%0.745SS**  153.4120100430000113.9
298S28.9Very low33.6Very low118 Ų118134.6 Ų134.683%0.82575%0.751SS**  trans84.2140.7157.5-60.50000119.8
299P34.2Very low32.6Very low114 Ų114133.2 Ų133.274%0.7475%0.754SS**  -105.9133.5-118.634.8-31.2000115.3R301P299-R301 PolarHBondContact O-N 2.71Å
300C30.5Very low32.4Very low135 Ų135138.1 Ų138.191%0.91278%0.781SS**  trans-70.6119158.3-72.10000108.9H302C300-H302 PolarHBondContact O-N 3.19Å; C300-H302 VanDerWaalsContact O-N 3.15Å
301R30.7Very low32Very low233 Ų233142.1 Ų142.188%0.87980%0.797SS**SBendtrans-7798177-74.3-176.5176.2-163.4-0.5109.7P299P299-R301 PolarHBondContact O-N 2.71Å
302H29.6Very low32.4Very low172 Ų172146 Ų14680%0.79681%0.805SS**  trans144.788.7139.5-90.7-76.3000109.4C300C300-H302 PolarHBondContact O-N 3.19Å; C300-H302 VanDerWaalsContact O-N 3.15Å
303W31.2Very low32.8Very low230 Ų230146.9 Ų146.987%0.87181%0.807SS**  trans-129.8128.7145.3-162.3-85.9000107.9
304T35.9Very low32.7Very low117 Ų117147.1 Ų147.172%0.71881%0.808SS**  trans-68.6149.7-165.934.80000113.1
305S30.7Very low33.2Very low103 Ų103149.2 Ų149.272%0.7281%0.81SS**  trans-58126.4-179.8-165.30000112.9
306L30.4Very low33.5Very low170 Ų170150.3 Ų150.389%0.8981%0.813SS**  trans-149.7105.5140.5-103.8136.3000107.9G308L306-G308 PolarHBondContact O-N 2.99Å
307T32.2Very low33.9Very low125 Ų125144.9 Ų144.977%0.76781%0.809SS**  trans-52.1120.7173.142.80000110.7H309T307-H309 PolarHBondContact O-N 2.9Å
308G29.5Very low34.6Very low78 Ų78149.2 Ų149.280%0.80481%0.81SS**  trans-69.1108.1171.900000111.1L306L306-G308 PolarHBondContact O-N 2.99Å
309H30.9Very low35.7Very low183 Ų183147.6 Ų147.685%0.84780%0.797SS**  trans-86.2130.8140.1-97.6-68.4000107.6T307 D311T307-H309 PolarHBondContact O-N 2.9Å; H309-D311 PolarHBondContact O-N 2.91Å
310T40.9Very low36.7Very low135 Ų135149.8 Ų149.883%0.82880%0.802SS**  trans-56.3113.5172.7450000110.1
311D29.6Very low38.3Very low156 Ų156149.3 Ų149.383%0.83479%0.785SS**  trans-148.2136.1147.1-131-18.7000113H309 S313H309-D311 PolarHBondContact O-N 2.91Å; D311-S313 PolarHBondContact O-N 3.05Å
312R41.5Very low40.6Very low241 Ų241143.2 Ų143.291%0.90977%0.769SS**  trans-78.6108.9175.4-85175.2161.3-176.6-4.8107.9
313S39.1Very low43.4Very low95 Ų95137.6 Ų137.666%0.66475%0.747SS**  trans165.4152.8144.345.10000110.6D311D311-S313 PolarHBondContact O-N 3.05Å
314H35.4Very low46.3Very low177 Ų177127.4 Ų127.482%0.81971%0.71SS**  trans86.499.1177.5-56.9-72.4000116.4A316H314-A316 PolarHBondContact O-N 3.5Å
315S42.4Very low49.2Very low124 Ų124122.2 Ų122.287%0.86768%0.679SS**  trans-58.698.2159.750.20000110.2
316A38.3Very low52.3Low82 Ų82118.4 Ų118.468%0.67865%0.648SS**PPolyproline II helixtrans-69.9141.7157.600000108.5H314 R318H314-A316 PolarHBondContact O-N 3.5Å; A316-R318 PolarHBondContact O-N 3.38Å
317P39Very low55.6Low123 Ų123110.3 Ų110.380%0.79961%0.606SS**PPolyproline II helixtrans-60.4128.7171.626.2-29.8000107.5
318R46.4Very low58.8Low223 Ų223104.3 Ų104.384%0.84257%0.569SS**PPolyproline II helixtrans-56.6138.6165.4-68.5-179.8176-168.4-2.4106.4A316 D320A316-R318 PolarHBondContact O-N 3.38Å; R318-D320 PolarHBondContact O-N 2.93Å; R318-D320 VanDerWaalsContact O-N 3.14Å
319P51.1Low62.1Low84 Ų84100.7 Ų100.755%0.54553%0.531SS..PPolyproline II helixtrans-55.1126.7169.4-14.226.1000107.1F321P319-F321 HydrophobicContact CB-CD2 4.12Å; P319-F321 HydrophobicContact CB-CE1 4.3Å; P319-F321 HydrophobicContact CB-CE2 3.74Å; P319-F321 HydrophobicContact CB-CZ 3.84Å; P319-F321 HydrophobicContact CG-CE2 3.73Å; P319-F321 HydrophobicContact CG-CZ 3.81Å; P319-F321 WeakPolarHBondContact O-CD2 3.06Å; P319-F321 PolarHBondContact O-N 3.25Å
320D55.8Low65.3Low159 Ų15992 Ų9285%0.8549%0.491SS*.  trans-68.881.9172.7-73.8-31.7000107.5R318 L322R318-D320 PolarHBondContact O-N 2.93Å; R318-D320 VanDerWaalsContact O-N 3.14Å; D320-L322 PolarHBondContact O-N 2.92Å
321F62.8Low68Low125 Ų12585.6 Ų85.655%0.54845%0.452SS..  trans-66.3119.8176.3-69-75.8000108.7E231 P319E231-F321 HydrophobicContact CB-CD1 4.22Å; P319-F321 HydrophobicContact CB-CD2 4.12Å; P319-F321 HydrophobicContact CB-CE1 4.3Å; P319-F321 HydrophobicContact CB-CE2 3.74Å; P319-F321 HydrophobicContact CB-CZ 3.84Å; P319-F321 HydrophobicContact CG-CE2 3.73Å; P319-F321 HydrophobicContact CG-CZ 3.81Å; P319-F321 WeakPolarHBondContact O-CD2 3.06Å; P319-F321 PolarHBondContact O-N 3.25Å
322L80.5Confident71.3Confident105 Ų10578.2 Ų78.255%0.5541%0.412SS..  trans-74146.8171.7-70.9169.2000109.4G233 D320 P324G233-L322 VanDerWaalsContact CA-CD1 3.47Å; D320-L322 PolarHBondContact O-N 2.92Å; L322-P324 VanDerWaalsContact O-CD 3.25Å; L322-P324 WeakPolarHBondContact O-CD 3.38Å
323T87.2Confident74Confident54 Ų5468 Ų6833%0.33138%0.377SS..  trans-65.7115.7178-53.70000109.4P284 A285P284-T323 HydrophobicContact CB-CG2 3.9Å; A285-T323 HydrophobicContact CB-CG2 4.27Å; A285-T323 WeakPolarHBondContact O-CG2 3.36Å
324P93.1Very high76.8Confident16 Ų1668.7 Ų68.710%0.10437%0.365CS..PPolyproline II helixtrans-72.4164.5-179.530.1-33.8000111.1D229 E231 A285 L322D229-P324 CarbonylContact O-C 3.53Å; D229-P324 VanDerWaalsContact O-CA 3.29Å; D229-P324 WeakPolarHBondContact O-CA 3.34Å; E231-P324 HydrophobicContact CG-CB 3.89Å; E231-P324 HydrophobicContact CG-CG 3.75Å; A285-P324 HydrophobicContact CB-CG 3.85Å; A285-P324 VanDerWaalsContact CB-O 3.23Å; A285-P324 WeakPolarHBondContact CB-O 3.31Å; A285-P324 PolarHBondContact N-O 2.98Å; L322-P324 VanDerWaalsContact O-CD 3.25Å; L322-P324 WeakPolarHBondContact O-CD 3.38Å
325T96Very high79.6Confident9 Ų964.3 Ų64.36%0.05535%0.351CS..EExtended strand (participates in β ladder)trans-93.6126177.4-59.10000111.3D229 V327D229-T325 PolarHBondContact N-OG1 3.44Å; D229-T325 PolarHBondContact O-N 2.79Å; D229-T325 PolarHBondContact OD2-OG1 3.22Å; T325-V327 HydrophobicContact CG2-CG2 4.33Å
326W97.3Very high82.2Confident22 Ų2263.5 Ų63.58%0.08334%0.341CS..EExtended strand (participates in β ladder)trans-93.9152.7164.3-70.13.9000109.6G282 F283 A285 P286 A289 L345 L347 I414G282-W326 WeakPolarHBondContact CA-O 3.42Å; F283-W326 HydrophobicContact CD1-CB 4.25Å; F283-W326 VanDerWaalsContact CD1-O 3.29Å; F283-W326 WeakPolarHBondContact CD1-O 3.48Å; F283-W326 HydrophobicContact CE1-CB 3.59Å; F283-W326 HydrophobicContact CE2-CB 3.98Å; F283-W326 HydrophobicContact CE2-CE3 4.03Å; F283-W326 HydrophobicContact CZ-CB 3.48Å; F283-W326 VanDerWaalsContact CZ-CB 3.48Å; F283-W326 HydrophobicContact CZ-CD2 4.39Å; F283-W326 AromaticContact CZ-CE3 3.82Å; F283-W326 HydrophobicContact CZ-CE3 3.82Å; F283-W326 HydrophobicContact CZ-CG 4.33Å; F283-W326 PolarHBondContact N-O 2.85Å; F283-W326 PolarHBondContact O-N 2.79Å; A285-W326 HydrophobicContact CB-CD2 4.07Å; A285-W326 HydrophobicContact CB-CG 4.01Å; A285-W326 HydrophobicContact CB-CZ2 4.36Å; P286-W326 HydrophobicContact CG-CZ3 4.28Å; A289-W326 HydrophobicContact CB-CH2 3.6Å; A289-W326 HydrophobicContact CB-CZ2 4.03Å; W326-L345 HydrophobicContact CE3-CD1 4.44Å; W326-L347 HydrophobicContact CD2-CB 4.48Å; W326-L347 HydrophobicContact CD2-CD2 3.43Å; W326-L347 VanDerWaalsContact CD2-CD2 3.43Å; W326-L347 HydrophobicContact CD2-CG 4.49Å; W326-L347 HydrophobicContact CE3-CD2 3.48Å; W326-L347 VanDerWaalsContact CE3-CD2 3.48Å; W326-L347 HydrophobicContact CG-CD2 4.06Å; W326-L347 HydrophobicContact CH2-CD1 4.45Å; W326-L347 HydrophobicContact CH2-CD2 3.8Å; W326-L347 HydrophobicContact CZ2-CB 4.48Å; W326-L347 HydrophobicContact CZ2-CD1 4.22Å; W326-L347 HydrophobicContact CZ2-CD2 3.77Å; W326-L347 HydrophobicContact CZ2-CG 4.37Å; W326-L347 HydrophobicContact CZ3-CD2 3.66Å; W326-I414 HydrophobicContact CZ3-CD1 4.43Å
327V98.4Very high84.9Confident0 Ų061.4 Ų61.40%032%0.324CS..EExtended strand (participates in β ladder)trans-126132.6-175.7-176.30000110.7V226 V228 V280 V281 T325 S346 P349 W355V226-V327 HydrophobicContact CG1-CG1 4.2Å; V226-V327 HydrophobicContact CG1-CG2 4.12Å; V226-V327 HydrophobicContact CG2-CG2 4.41Å; V228-V327 HydrophobicContact CG2-CG2 4.24Å; V280-V327 HydrophobicContact CB-CG1 4.28Å; V281-V327 WeakPolarHBondContact O-CA 3.34Å; T325-V327 HydrophobicContact CG2-CG2 4.33Å; V327-S346 PolarHBondContact N-O 2.81Å; V327-S346 PolarHBondContact O-N 2.84Å; V327-P349 HydrophobicContact CB-CB 4.12Å; V327-P349 HydrophobicContact CG2-CB 3.54Å; V327-P349 HydrophobicContact CG2-CG 3.72Å; V327-W355 HydrophobicContact CB-CH2 4.19Å; V327-W355 HydrophobicContact CG1-CH2 3.73Å; V327-W355 HydrophobicContact CG1-CZ2 4.48Å
328V98.7Very high87.7Confident0 Ų058.3 Ų58.30%030%0.296CS..EExtended strand (participates in β ladder)trans-103.2140.8170-175.90000109.3V280 V281 F283 V343 F344 L345 L371 F388 L413V280-V328 VanDerWaalsContact CA-O 3.31Å; V280-V328 WeakPolarHBondContact CA-O 3.11Å; V281-V328 HydrophobicContact CG2-CB 4.11Å; V281-V328 PolarHBondContact N-O 2.9Å; V281-V328 PolarHBondContact O-N 3.49Å; F283-V328 HydrophobicContact CD1-CG2 4.07Å; F283-V328 HydrophobicContact CE1-CG2 3.52Å; F283-V328 HydrophobicContact CZ-CG2 4.41Å; V328-V343 HydrophobicContact CG1-CG1 3.35Å; V328-F344 WeakPolarHBondContact CA-O 3.41Å; V328-L345 HydrophobicContact CG2-CD1 4.26Å; V328-L371 HydrophobicContact CB-CD1 4.38Å; V328-L371 HydrophobicContact CG1-CD1 3.92Å; V328-F388 HydrophobicContact CB-CE1 4.38Å; V328-F388 HydrophobicContact CG2-CD1 4.04Å; V328-F388 HydrophobicContact CG2-CD2 4.43Å; V328-F388 HydrophobicContact CG2-CE1 3.53Å; V328-F388 HydrophobicContact CG2-CE2 3.96Å; V328-F388 HydrophobicContact CG2-CG 4.47Å; V328-F388 HydrophobicContact CG2-CZ 3.48Å; V328-F388 VanDerWaalsContact CG2-CZ 3.48Å; V328-L413 HydrophobicContact CG1-CD2 4.21Å; V328-L413 HydrophobicContact CG2-CD2 3.95Å
329Y98.8Very high90.2Very high1 Ų151.9 Ų51.90%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-130.5139.2175.9167.1-112.8000111.2R248 L269 S279 V280 H331 V343 F344 W355R248-Y329 WeakPolarHBondContact CD-OH 3.29Å; R248-Y329 WeakPolarHBondContact CG-OH 3.31Å; R248-Y329 PolarHBondContact NE-OH 3.35Å; L269-Y329 HydrophobicContact CB-CE1 4.34Å; L269-Y329 HydrophobicContact CD1-CD1 4.02Å; L269-Y329 HydrophobicContact CD1-CE1 4.04Å; L269-Y329 HydrophobicContact CD2-CD1 3.7Å; L269-Y329 HydrophobicContact CD2-CE1 3.84Å; L269-Y329 HydrophobicContact CG-CD1 4.41Å; L269-Y329 HydrophobicContact CG-CE1 4.3Å; S279-Y329 CarbonylContact O-C 3.59Å; S279-Y329 VanDerWaalsContact O-CA 3.23Å; S279-Y329 WeakPolarHBondContact O-CA 3.08Å; S279-Y329 WeakPolarHBondContact O-CD2 3.23Å; V280-Y329 HydrophobicContact CG1-CD2 3.81Å; Y329-H331 HydrophobicContact CD1-CB 4.36Å; Y329-H331 HydrophobicContact CE1-CB 3.43Å; Y329-H331 VanDerWaalsContact CE1-CB 3.43Å; Y329-H331 HydrophobicContact CE2-CB 3.95Å; Y329-H331 AromaticContact CZ-CG 3.71Å; Y329-H331 WeakPolarHBondContact OH-CB 3.4Å; Y329-H331 PolarHBondContact OH-CD2 3.21Å; Y329-V343 CarbonylContact O-C 3.59Å; Y329-V343 VanDerWaalsContact O-CA 3.32Å; Y329-V343 WeakPolarHBondContact O-CA 3.19Å; Y329-F344 HydrophobicContact CD1-CB 4.16Å; Y329-F344 AromaticContact CD1-CD2 3.51Å; Y329-F344 HydrophobicContact CD1-CD2 3.51Å; Y329-F344 HydrophobicContact CD1-CE2 4.11Å; Y329-F344 HydrophobicContact CD1-CG 4.01Å; Y329-F344 HydrophobicContact CE1-CD2 4.03Å; Y329-F344 HydrophobicContact CE1-CE2 4.16Å; Y329-F344 PolarHBondContact N-O 3.15Å; Y329-F344 PolarHBondContact O-N 2.83Å; Y329-W355 HydrophobicContact CG-CH2 4.46Å; Y329-W355 HydrophobicContact CG-CZ3 4.47Å
330S98.9Very high92.4Very high0 Ų048.9 Ų48.90%025%0.251CS..EExtended strand (participates in β ladder)trans-122.6132.2174620000112.6G278 S279 G342 S369 L371G278-S330 VanDerWaalsContact CA-O 3.23Å; G278-S330 WeakPolarHBondContact CA-O 3.37Å; S279-S330 PolarHBondContact N-O 2.93Å; S279-S330 PolarHBondContact O-N 3.34Å; S330-G342 VanDerWaalsContact CA-O 3.29Å; S330-G342 WeakPolarHBondContact CA-O 3.06Å; S330-S369 PolarHBondContact O-OG 2.77Å; S330-S369 PolarHBondContact OG-OG 3.3Å; S330-L371 WeakPolarHBondContact OG-CG 3.31Å
331H98.8Very high94.4Very high2 Ų241.3 Ų41.31%0.00921%0.211CC..EExtended strand (participates in β ladder)trans-169.2154.5-178.7-176.6-95.9000112.5V270 E271 C276 H277 Y329 G342V270-H331 PolarHBondContact O-CE1 2.88Å; V270-H331 PolarHBondContact O-ND1 3.41Å; E271-H331 IonicContact OE2-CE1 3.63Å; E271-H331 IonicContact OE2-NE2 3.23Å; E271-H331 PolarHBondContact OE2-NE2 2.64Å; C276-H331 WeakPolarHBondContact CB-NE2 3.22Å; C276-H331 PolarHBondContact O-NE2 3.13Å; H277-H331 PolarHBondContact O-CD2 2.88Å; Y329-H331 HydrophobicContact CD1-CB 4.36Å; Y329-H331 HydrophobicContact CE1-CB 3.43Å; Y329-H331 VanDerWaalsContact CE1-CB 3.43Å; Y329-H331 HydrophobicContact CE2-CB 3.95Å; Y329-H331 AromaticContact CZ-CG 3.71Å; Y329-H331 WeakPolarHBondContact OH-CB 3.4Å; Y329-H331 PolarHBondContact OH-CD2 3.21Å; H331-G342 PolarHBondContact N-O 2.81Å; H331-G342 PolarHBondContact O-N 2.92Å
332P98.5Very high96.1Very high0 Ų035.3 Ų35.30%019%0.185CC..EExtended strand (participates in β ladder)trans-52.8144.5168.9-29.237.7000113.5C276 D340 S366C276-P332 HydrophobicContact CB-CG 4.38Å; P332-D340 CarbonylContact C-O 3.58Å; P332-D340 WeakPolarHBondContact CA-O 3.45Å; P332-S366 WeakPolarHBondContact CG-O 3.11Å
333T97.4Very high97Very high28 Ų2830.3 Ų30.317%0.17216%0.158CC..  trans-102.1-9.6-168.956.50000113.8R339 D340 F344 P358T333-R339 PolarHBondContact N-O 2.92Å; T333-D340 WeakPolarHBondContact CB-O 3.19Å; T333-D340 VanDerWaalsContact CG2-O 3.29Å; T333-D340 WeakPolarHBondContact CG2-O 3.44Å; T333-D340 PolarHBondContact N-O 3.08Å; T333-D340 WeakPolarHBondContact OG1-CB 3.32Å; T333-D340 PolarHBondContact OG1-O 3.19Å; T333-F344 HydrophobicContact CG2-CE2 4.37Å; T333-F344 HydrophobicContact CG2-CZ 4.18Å; T333-P358 HydrophobicContact CG2-CB 3.53Å; T333-P358 HydrophobicContact CG2-CG 3.47Å; T333-P358 VanDerWaalsContact CG2-CG 3.47Å
334W97.1Very high97.5Very high109 Ų10928.3 Ų28.341%0.41315%0.145SC..  trans-89134.8-178.8-74.944.1000112T336 A337 R339 D340W334-T336 PolarHBondContact O-N 2.86Å; W334-A337 WeakPolarHBondContact CB-O 3.23Å; W334-R339 HydrophobicContact CB-CB 4.41Å; W334-R339 HydrophobicContact CD2-CB 4.17Å; W334-R339 HydrophobicContact CD2-CG 4.2Å; W334-R339 HydrophobicContact CG-CB 4.07Å; W334-R339 HydrophobicContact CG-CG 4.41Å; W334-R339 HydrophobicContact CZ2-CG 4.43Å; W334-D340 PolarHBondContact NE1-OD2 3.3Å
335T95.9Very high97.8Very high85 Ų8527.6 Ų27.652%0.52114%0.14SC..SBendtrans-73.4-11.8175.654.40000113.7V270 P272 R273V270-T335 HydrophobicContact CB-CG2 3.84Å; V270-T335 HydrophobicContact CG1-CG2 3.88Å; V270-T335 HydrophobicContact CG2-CG2 4.12Å; P272-T335 WeakPolarHBondContact CA-O 3.21Å; R273-T335 PolarHBondContact N-O 2.83Å
336T95.3Very high97.9Very high106 Ų10627.1 Ų27.165%0.6514%0.138SC*.SBendtrans-114.3-17.4-173.955.80000113.6W334W334-T336 PolarHBondContact O-N 2.86Å
337A96.1Very high97.8Very high39 Ų3928 Ų2832%0.32214%0.144SC..SBendtrans-153.8156.1-173.400000112.3W334 R339W334-A337 WeakPolarHBondContact CB-O 3.23Å; A337-R339 VanDerWaalsContact C-N 3.29Å; A337-R339 HydrophobicContact CB-CB 4.35Å; A337-R339 PolarHBondContact O-N 2.85Å
338R97.8Very high97.6Very high58 Ų5834 Ų3422%0.21917%0.17CC..SBendtrans-75.283168.3-71.4-175.1-175.3178.6-4109.2P272 G275 C276 S366 A367 Y400P272-R338 HydrophobicContact CG-CG 4.19Å; G275-R338 PolarHBondContact O-NE 3.46Å; G275-R338 PolarHBondContact O-NH2 2.88Å; C276-R338 HydrophobicContact CB-CG 4.1Å; R338-S366 CarbonylContact C-O 3.58Å; R338-S366 WeakPolarHBondContact CA-O 3.23Å; R338-S366 VanDerWaalsContact CB-O 3.24Å; R338-S366 WeakPolarHBondContact CB-O 3.35Å; R338-S366 PolarHBondContact O-N 3.15Å; R338-S366 VanDerWaalsContact O-O 3.06Å; R338-A367 HydrophobicContact CB-CB 4.43Å; R338-Y400 PolarHBondContact NH1-OH 2.88Å
339R97.9Very high97.3Very high87 Ų8734.1 Ų34.133%0.32817%0.17SC..EExtended strand (participates in β ladder)trans-148.6148.3-172.9-178.7168-174.1117.93.4111.1T333 W334 A337 G364T333-R339 PolarHBondContact N-O 2.92Å; W334-R339 HydrophobicContact CB-CB 4.41Å; W334-R339 HydrophobicContact CD2-CB 4.17Å; W334-R339 HydrophobicContact CD2-CG 4.2Å; W334-R339 HydrophobicContact CG-CB 4.07Å; W334-R339 HydrophobicContact CG-CG 4.41Å; W334-R339 HydrophobicContact CZ2-CG 4.43Å; A337-R339 VanDerWaalsContact C-N 3.29Å; A337-R339 HydrophobicContact CB-CB 4.35Å; A337-R339 PolarHBondContact O-N 2.85Å; R339-G364 WeakPolarHBondContact CA-O 3.39Å
340D97.9Very high97Very high21 Ų2138.8 Ų38.811%0.11219%0.188CC..EExtended strand (participates in β ladder)trans55.594.8179.2-60.1-10.1000112.1P332 T333 W334 G342 V360 Y362 E363 G364 S366P332-D340 CarbonylContact C-O 3.58Å; P332-D340 WeakPolarHBondContact CA-O 3.45Å; T333-D340 WeakPolarHBondContact CB-O 3.19Å; T333-D340 VanDerWaalsContact CG2-O 3.29Å; T333-D340 WeakPolarHBondContact CG2-O 3.44Å; T333-D340 PolarHBondContact N-O 3.08Å; T333-D340 WeakPolarHBondContact OG1-CB 3.32Å; T333-D340 PolarHBondContact OG1-O 3.19Å; W334-D340 PolarHBondContact NE1-OD2 3.3Å; D340-G342 PolarHBondContact O-N 2.86Å; D340-V360 HydrophobicContact CB-CG1 4.07Å; D340-Y362 CarbonylContact C-O 3.49Å; D340-Y362 VanDerWaalsContact CA-O 3.28Å; D340-Y362 WeakPolarHBondContact CA-O 3.29Å; D340-E363 WeakPolarHBondContact OD1-CA 3.37Å; D340-G364 PolarHBondContact N-O 2.73Å; D340-G364 PolarHBondContact OD1-N 2.62Å; D340-S366 PolarHBondContact N-OG 3.48Å; D340-S366 VanDerWaalsContact N-OG 3.15Å
341L98.7Very high96.8Very high0 Ų042.4 Ų42.40%021%0.207CC..EExtended strand (participates in β ladder)trans-73.8116.8-179.1-173.168.9000109.4V360 I361 Y362 S366 F392L341-V360 CarbonylContact O-C 3.47Å; L341-V360 WeakPolarHBondContact O-CA 3.3Å; L341-I361 HydrophobicContact CB-CG1 4.38Å; L341-I361 HydrophobicContact CD2-CD1 3.87Å; L341-I361 HydrophobicContact CD2-CG1 4.09Å; L341-I361 HydrophobicContact CG-CD1 4.33Å; L341-I361 HydrophobicContact CG-CG1 4.16Å; L341-I361 WeakPolarHBondContact O-CG1 3.28Å; L341-I361 PolarHBondContact O-N 2.92Å; L341-Y362 PolarHBondContact N-O 2.74Å; L341-Y362 PolarHBondContact O-N 2.86Å; L341-S366 PolarHBondContact N-OG 3.23Å; L341-S366 VanDerWaalsContact N-OG 3.11Å; L341-F392 HydrophobicContact CD2-CB 3.47Å; L341-F392 VanDerWaalsContact CD2-CB 3.47Å; L341-F392 HydrophobicContact CD2-CD1 3.76Å; L341-F392 HydrophobicContact CD2-CD2 3.46Å; L341-F392 VanDerWaalsContact CD2-CD2 3.46Å; L341-F392 HydrophobicContact CD2-CE1 4.34Å; L341-F392 HydrophobicContact CD2-CE2 4.07Å; L341-F392 HydrophobicContact CD2-CG 3.27Å; L341-F392 HydrophobicContact CD2-CZ 4.47Å
342G98.4Very high96.6Very high0 Ų043.3 Ų43.30%021%0.213CC..EExtended strand (participates in β ladder)trans-107.5151.8179.700000112.6S330 H331 D340 W359S330-G342 VanDerWaalsContact CA-O 3.29Å; S330-G342 WeakPolarHBondContact CA-O 3.06Å; H331-G342 PolarHBondContact N-O 2.81Å; H331-G342 PolarHBondContact O-N 2.92Å; D340-G342 PolarHBondContact O-N 2.86Å; G342-W359 CarbonylContact C-O 3.57Å; G342-W359 WeakPolarHBondContact CA-O 3.48Å
343V98.8Very high96.4Very high0 Ų049 Ų490%024%0.244CC..EExtended strand (participates in β ladder)trans-113.5132170.1-175.20000109.2V328 Y329 P358 W359 I361 F408 L413V328-V343 HydrophobicContact CG1-CG1 3.35Å; Y329-V343 CarbonylContact O-C 3.59Å; Y329-V343 VanDerWaalsContact O-CA 3.32Å; Y329-V343 WeakPolarHBondContact O-CA 3.19Å; V343-P358 WeakPolarHBondContact O-CA 3.24Å; V343-W359 PolarHBondContact N-O 3.35Å; V343-W359 PolarHBondContact O-N 2.91Å; V343-I361 HydrophobicContact CB-CG2 4.47Å; V343-I361 HydrophobicContact CG2-CB 4.45Å; V343-I361 HydrophobicContact CG2-CD1 3.72Å; V343-I361 HydrophobicContact CG2-CG1 3.98Å; V343-I361 HydrophobicContact CG2-CG2 3.65Å; V343-F408 HydrophobicContact CG1-CE2 4.13Å; V343-F408 HydrophobicContact CG1-CZ 4.03Å; V343-F408 HydrophobicContact CG2-CE1 4.28Å; V343-F408 HydrophobicContact CG2-CZ 3.83Å; V343-L413 HydrophobicContact CB-CD1 4.08Å; V343-L413 HydrophobicContact CG1-CD1 3.64Å; V343-L413 HydrophobicContact CG1-CD2 4.18Å
344F98.6Very high96.3Very high11 Ų1148.4 Ų48.45%0.04824%0.241CC..EExtended strand (participates in β ladder)trans-118.5153.3-178.3-57.4-105.1000109.8L269 V328 Y329 T333 W355 R356 P358L269-F344 HydrophobicContact CD2-CB 4.37Å; L269-F344 HydrophobicContact CD2-CD1 3.85Å; L269-F344 HydrophobicContact CD2-CD2 4.5Å; L269-F344 HydrophobicContact CD2-CE1 4.19Å; L269-F344 HydrophobicContact CD2-CG 4.01Å; V328-F344 WeakPolarHBondContact CA-O 3.41Å; Y329-F344 HydrophobicContact CD1-CB 4.16Å; Y329-F344 AromaticContact CD1-CD2 3.51Å; Y329-F344 HydrophobicContact CD1-CD2 3.51Å; Y329-F344 HydrophobicContact CD1-CE2 4.11Å; Y329-F344 HydrophobicContact CD1-CG 4.01Å; Y329-F344 HydrophobicContact CE1-CD2 4.03Å; Y329-F344 HydrophobicContact CE1-CE2 4.16Å; Y329-F344 PolarHBondContact N-O 3.15Å; Y329-F344 PolarHBondContact O-N 2.83Å; T333-F344 HydrophobicContact CG2-CE2 4.37Å; T333-F344 HydrophobicContact CG2-CZ 4.18Å; F344-W355 HydrophobicContact CB-CE3 3.77Å; F344-W355 HydrophobicContact CB-CZ3 4.17Å; F344-R356 CarbonylContact C-O 3.59Å; F344-R356 VanDerWaalsContact CA-O 3.27Å; F344-R356 WeakPolarHBondContact CA-O 3.32Å; F344-P358 HydrophobicContact CD1-CB 4.4Å; F344-P358 HydrophobicContact CD2-CB 4.47Å; F344-P358 HydrophobicContact CE1-CB 3.87Å; F344-P358 HydrophobicContact CE1-CG 4.27Å; F344-P358 HydrophobicContact CE2-CB 3.95Å; F344-P358 HydrophobicContact CZ-CB 3.63Å; F344-P358 HydrophobicContact CZ-CG 4.12Å
345L98.4Very high96.3Very high1 Ų144.1 Ų44.11%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-131128.3179.8177.364.4000109.7F283 W326 V328 L347 R356 L413 I414 L417F283-L345 HydrophobicContact CE1-CD1 4.09Å; F283-L345 HydrophobicContact CZ-CD1 4.01Å; W326-L345 HydrophobicContact CE3-CD1 4.44Å; V328-L345 HydrophobicContact CG2-CD1 4.26Å; L345-L347 HydrophobicContact CD1-CD2 4.26Å; L345-L347 HydrophobicContact CD2-CD2 3.85Å; L345-L347 HydrophobicContact CG-CD2 3.85Å; L345-R356 PolarHBondContact N-O 3.32Å; L345-R356 PolarHBondContact O-N 3.43Å; L345-L413 HydrophobicContact CB-CD2 4.28Å; L345-L413 HydrophobicContact CD1-CD2 4.44Å; L345-I414 HydrophobicContact CD2-CG1 3.94Å; L345-L417 HydrophobicContact CB-CD1 3.85Å; L345-L417 HydrophobicContact CD2-CD1 3.93Å
346S97.6Very high96.3Very high0 Ų046 Ų460%022%0.222CC..EExtended strand (participates in β ladder)trans-114134.8166.21720000110.3V327 F348 P349 S354V327-S346 PolarHBondContact N-O 2.81Å; V327-S346 PolarHBondContact O-N 2.84Å; S346-F348 VanDerWaalsContact OG-C 3.28Å; S346-F348 PolarHBondContact OG-N 2.85Å; S346-P349 VanDerWaalsContact OG-CA 3.23Å; S346-P349 WeakPolarHBondContact OG-CA 3.2Å; S346-P349 VanDerWaalsContact OG-N 3.16Å; S346-S354 PolarHBondContact OG-OG 2.94Å
347L95.1Very high96.3Very high40 Ų4042.3 Ų42.321%0.20921%0.205CC..SBendtrans-95.3-14.2173.5-44-175.1000112.3W326 L345W326-L347 HydrophobicContact CD2-CB 4.48Å; W326-L347 HydrophobicContact CD2-CD2 3.43Å; W326-L347 VanDerWaalsContact CD2-CD2 3.43Å; W326-L347 HydrophobicContact CD2-CG 4.49Å; W326-L347 HydrophobicContact CE3-CD2 3.48Å; W326-L347 VanDerWaalsContact CE3-CD2 3.48Å; W326-L347 HydrophobicContact CG-CD2 4.06Å; W326-L347 HydrophobicContact CH2-CD1 4.45Å; W326-L347 HydrophobicContact CH2-CD2 3.8Å; W326-L347 HydrophobicContact CZ2-CB 4.48Å; W326-L347 HydrophobicContact CZ2-CD1 4.22Å; W326-L347 HydrophobicContact CZ2-CD2 3.77Å; W326-L347 HydrophobicContact CZ2-CG 4.37Å; W326-L347 HydrophobicContact CZ3-CD2 3.66Å; L345-L347 HydrophobicContact CD1-CD2 4.26Å; L345-L347 HydrophobicContact CD2-CD2 3.85Å; L345-L347 HydrophobicContact CG-CD2 3.85Å
348F94.1Very high96.3Very high127 Ų12742.3 Ų42.356%0.55720%0.202SC*.SBendtrans-139.666.3-176.9-58.5-74.9000108.6S346 R350 D351 S354S346-F348 VanDerWaalsContact OG-C 3.28Å; S346-F348 PolarHBondContact OG-N 2.85Å; F348-R350 PolarHBondContact O-N 3.04Å; F348-D351 HydrophobicContact CB-CB 4.46Å; F348-D351 WeakPolarHBondContact O-CB 3.29Å; F348-D351 PolarHBondContact O-N 3.19Å; F348-S354 WeakPolarHBondContact O-CB 3.42Å; F348-S354 PolarHBondContact O-OG 3.37Å
349P93.3Very high96.3Very high1 Ų140 Ų401%0.00619%0.194CC..THydrogen-bonded Turntrans-60.1-21.2-164.625.6-38.2000114.8V228 Y238 V327 S346 D351V228-P349 HydrophobicContact CB-CG 4.29Å; V228-P349 HydrophobicContact CG1-CG 3.47Å; V228-P349 VanDerWaalsContact CG1-CG 3.47Å; V228-P349 HydrophobicContact CG2-CB 4.27Å; V228-P349 HydrophobicContact CG2-CG 3.78Å; Y238-P349 WeakPolarHBondContact CE2-O 3.43Å; V327-P349 HydrophobicContact CB-CB 4.12Å; V327-P349 HydrophobicContact CG2-CB 3.54Å; V327-P349 HydrophobicContact CG2-CG 3.72Å; S346-P349 VanDerWaalsContact OG-CA 3.23Å; S346-P349 WeakPolarHBondContact OG-CA 3.2Å; S346-P349 VanDerWaalsContact OG-N 3.16Å; P349-D351 VanDerWaalsContact C-N 3.28Å; P349-D351 PolarHBondContact O-N 3.19Å
350R92.8Very high96.3Very high100 Ų10037.8 Ų37.838%0.37719%0.19SC..THydrogen-bonded Turntrans-66-30.7172.8-67.4178.769.7176.4-0.9113.1E230 V236 Q250 F348 P352E230-R350 WeakPolarHBondContact OE1-CD 3.33Å; E230-R350 WeakPolarHBondContact OE1-CG 3.47Å; V236-R350 HydrophobicContact CG1-CG 3.95Å; Q250-R350 PolarHBondContact NE2-O 3.39Å; Q250-R350 VanDerWaalsContact NE2-O 3.13Å; F348-R350 PolarHBondContact O-N 3.04Å; R350-P352 WeakPolarHBondContact O-CD 3.45Å
351D94.1Very high96.3Very high75 Ų7537 Ų3740%0.40119%0.186SC..SBendtrans-82.8112.2175.71784.4000109.4F348 P349 D353 S354F348-D351 HydrophobicContact CB-CB 4.46Å; F348-D351 WeakPolarHBondContact O-CB 3.29Å; F348-D351 PolarHBondContact O-N 3.19Å; P349-D351 VanDerWaalsContact C-N 3.28Å; P349-D351 PolarHBondContact O-N 3.19Å; D351-D353 PolarHBondContact O-N 3.15Å; D351-D353 VanDerWaalsContact O-N 3.14Å; D351-D353 PolarHBondContact OD1-N 2.96Å; D351-S354 VanDerWaalsContact O-CB 3.26Å; D351-S354 WeakPolarHBondContact O-CB 3.4Å; D351-S354 PolarHBondContact O-N 3.14Å; D351-S354 VanDerWaalsContact O-N 3.1Å; D351-S354 PolarHBondContact O-OG 3.13Å
352P94.1Very high96.3Very high21 Ų2138 Ų3814%0.13619%0.189CC..G310 helixtrans-61.9-19.6179.830.1-39.2000113.4V266 S268 R350 S354V266-P352 HydrophobicContact CG1-CB 4.25Å; V266-P352 WeakPolarHBondContact CG1-O 3.35Å; V266-P352 HydrophobicContact CG2-CB 4.17Å; S268-P352 PolarHBondContact OG-O 3.34Å; R350-P352 WeakPolarHBondContact O-CD 3.45Å; P352-S354 VanDerWaalsContact C-N 3.34Å
353D94.6Very high96.3Very high119 Ų11943.6 Ų43.664%0.63622%0.215SC*.G310 helixtrans-89-3-180-65.3-35.4000112.9D351 W355D351-D353 PolarHBondContact O-N 3.15Å; D351-D353 VanDerWaalsContact O-N 3.14Å; D351-D353 PolarHBondContact OD1-N 2.96Å; D353-W355 VanDerWaalsContact C-N 3.33Å; D353-W355 PolarHBondContact O-N 2.91Å
354S95.1Very high96.2Very high17 Ų1743.8 Ų43.812%0.11922%0.217CC..G310 helixtrans-78-10.5-175.167.20000115.4S346 F348 D351 P352 R356S346-S354 PolarHBondContact OG-OG 2.94Å; F348-S354 WeakPolarHBondContact O-CB 3.42Å; F348-S354 PolarHBondContact O-OG 3.37Å; D351-S354 VanDerWaalsContact O-CB 3.26Å; D351-S354 WeakPolarHBondContact O-CB 3.4Å; D351-S354 PolarHBondContact O-N 3.14Å; D351-S354 VanDerWaalsContact O-N 3.1Å; D351-S354 PolarHBondContact O-OG 3.13Å; P352-S354 VanDerWaalsContact C-N 3.34Å; S354-R356 PolarHBondContact O-N 3.32Å
355W97.4Very high96.2Very high19 Ų1944.5 Ų44.57%0.07222%0.223CC..EExtended strand (participates in β ladder)trans-68.4130-176.5-70.198.5000112.2L269 V327 Y329 F344 D353L269-W355 HydrophobicContact CD1-CD2 4Å; L269-W355 HydrophobicContact CD1-CG 4.23Å; L269-W355 HydrophobicContact CD1-CZ2 4.05Å; L269-W355 HydrophobicContact CD2-CB 4.11Å; L269-W355 HydrophobicContact CD2-CD2 3.96Å; L269-W355 HydrophobicContact CD2-CE3 4.29Å; L269-W355 HydrophobicContact CD2-CG 3.88Å; L269-W355 HydrophobicContact CG-CD2 4.25Å; L269-W355 HydrophobicContact CG-CG 4.05Å; V327-W355 HydrophobicContact CB-CH2 4.19Å; V327-W355 HydrophobicContact CG1-CH2 3.73Å; V327-W355 HydrophobicContact CG1-CZ2 4.48Å; Y329-W355 HydrophobicContact CG-CH2 4.46Å; Y329-W355 HydrophobicContact CG-CZ3 4.47Å; F344-W355 HydrophobicContact CB-CE3 3.77Å; F344-W355 HydrophobicContact CB-CZ3 4.17Å; D353-W355 VanDerWaalsContact C-N 3.33Å; D353-W355 PolarHBondContact O-N 2.91Å
356R96.7Very high96.2Very high123 Ų12344.4 Ų44.446%0.46422%0.223SC..EExtended strand (participates in β ladder)trans-113.8142.6171.4-53.4-150.6-57.3-157.60.7110.3F344 L345 S354 L417F344-R356 CarbonylContact C-O 3.59Å; F344-R356 VanDerWaalsContact CA-O 3.27Å; F344-R356 WeakPolarHBondContact CA-O 3.32Å; L345-R356 PolarHBondContact N-O 3.32Å; L345-R356 PolarHBondContact O-N 3.43Å; S354-R356 PolarHBondContact O-N 3.32Å; R356-L417 HydrophobicContact CB-CD1 4.29Å
357G94.3Very high96.2Very high29 Ų2944.4 Ų44.430%0.29922%0.223SC..EExtended strand (participates in β ladder)trans142.4-167.8179.800000112.6
358P96.6Very high96.4Very high40 Ų4043.4 Ų43.426%0.2622%0.216SC..EExtended strand (participates in β ladder)cis-81.6149-430.3-32.8000113.2T333 V343 F344 V360 P418T333-P358 HydrophobicContact CG2-CB 3.53Å; T333-P358 HydrophobicContact CG2-CG 3.47Å; T333-P358 VanDerWaalsContact CG2-CG 3.47Å; V343-P358 WeakPolarHBondContact O-CA 3.24Å; F344-P358 HydrophobicContact CD1-CB 4.4Å; F344-P358 HydrophobicContact CD2-CB 4.47Å; F344-P358 HydrophobicContact CE1-CB 3.87Å; F344-P358 HydrophobicContact CE1-CG 4.27Å; F344-P358 HydrophobicContact CE2-CB 3.95Å; F344-P358 HydrophobicContact CZ-CB 3.63Å; F344-P358 HydrophobicContact CZ-CG 4.12Å; P358-V360 HydrophobicContact CG-CG2 4.47Å; P358-P418 WeakPolarHBondContact O-CD 3.43Å
359W98.1Very high96.6Very high9 Ų937.3 Ų37.33%0.03419%0.19CC..EExtended strand (participates in β ladder)trans-85.8114.5146.8169.829.9000108Y5 P7 G342 V343 I361 F408 E412 L413 N416 L417Y5-W359 HydrophobicContact CD1-CH2 4.48Å; Y5-W359 AromaticContact CD1-CZ2 3.61Å; Y5-W359 HydrophobicContact CD1-CZ2 3.61Å; Y5-W359 HydrophobicContact CE1-CH2 4.02Å; Y5-W359 AromaticContact CE1-CZ2 3.53Å; Y5-W359 HydrophobicContact CE1-CZ2 3.53Å; Y5-W359 PolarHBondContact O-NE1 3.4Å; P7-W359 HydrophobicContact CB-CH2 4.39Å; P7-W359 HydrophobicContact CG-CH2 4.33Å; P7-W359 HydrophobicContact CG-CZ2 4.37Å; G342-W359 CarbonylContact C-O 3.57Å; G342-W359 WeakPolarHBondContact CA-O 3.48Å; V343-W359 PolarHBondContact N-O 3.35Å; V343-W359 PolarHBondContact O-N 2.91Å; W359-I361 HydrophobicContact CD2-CG2 3.8Å; W359-I361 HydrophobicContact CE3-CG2 3.87Å; W359-I361 HydrophobicContact CG-CG2 4.36Å; W359-I361 HydrophobicContact CH2-CG2 4.26Å; W359-I361 HydrophobicContact CZ2-CG2 4.15Å; W359-I361 HydrophobicContact CZ3-CG2 4.13Å; W359-I361 PolarHBondContact O-N 2.62Å; W359-F408 HydrophobicContact CH2-CB 3.78Å; W359-F408 HydrophobicContact CH2-CD2 4.46Å; W359-F408 HydrophobicContact CH2-CG 4.11Å; W359-F408 HydrophobicContact CZ3-CB 3.88Å; W359-F408 HydrophobicContact CZ3-CD1 4.49Å; W359-F408 AromaticContact CZ3-CD2 3.69Å; W359-F408 HydrophobicContact CZ3-CD2 3.69Å; W359-F408 HydrophobicContact CZ3-CE2 4.35Å; W359-F408 AromaticContact CZ3-CG 3.77Å; W359-F408 HydrophobicContact CZ3-CG 3.77Å; W359-E412 HydrophobicContact CH2-CB 3.82Å; W359-E412 HydrophobicContact CZ3-CB 4.1Å; W359-L413 HydrophobicContact CB-CD1 4.38Å; W359-L413 HydrophobicContact CE3-CB 4.2Å; W359-L413 HydrophobicContact CE3-CD1 3.9Å; W359-L413 HydrophobicContact CZ3-CB 4.28Å; W359-N416 HydrophobicContact CB-CB 4.13Å; W359-N416 HydrophobicContact CD2-CB 3.61Å; W359-N416 HydrophobicContact CE3-CB 4.42Å; W359-N416 HydrophobicContact CG-CB 3.43Å; W359-N416 VanDerWaalsContact CG-CB 3.43Å; W359-N416 HydrophobicContact CZ2-CB 4.44Å; W359-L417 HydrophobicContact CB-CD2 4.41Å
360V98.1Very high96.9Very high41 Ų4137.3 Ų37.325%0.24819%0.19CC..EExtended strand (participates in β ladder)trans-75116.1177.3-178.80000109.7F6 D340 L341 P358 Y362F6-V360 WeakPolarHBondContact CD1-O 3.36Å; F6-V360 HydrophobicContact CE1-CG1 4.22Å; F6-V360 WeakPolarHBondContact CE1-O 3.36Å; D340-V360 HydrophobicContact CB-CG1 4.07Å; L341-V360 CarbonylContact O-C 3.47Å; L341-V360 WeakPolarHBondContact O-CA 3.3Å; P358-V360 HydrophobicContact CG-CG2 4.47Å; V360-Y362 WeakPolarHBondContact CG1-O 3.47Å
361I97.9Very high97.2Very high5 Ų532.5 Ų32.53%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-96.4-15.5179.462164.3000112.9P7 L341 V343 W359 C390 F408P7-I361 HydrophobicContact CG-CB 3.88Å; P7-I361 HydrophobicContact CG-CG2 4.03Å; L341-I361 HydrophobicContact CB-CG1 4.38Å; L341-I361 HydrophobicContact CD2-CD1 3.87Å; L341-I361 HydrophobicContact CD2-CG1 4.09Å; L341-I361 HydrophobicContact CG-CD1 4.33Å; L341-I361 HydrophobicContact CG-CG1 4.16Å; L341-I361 WeakPolarHBondContact O-CG1 3.28Å; L341-I361 PolarHBondContact O-N 2.92Å; V343-I361 HydrophobicContact CB-CG2 4.47Å; V343-I361 HydrophobicContact CG2-CB 4.45Å; V343-I361 HydrophobicContact CG2-CD1 3.72Å; V343-I361 HydrophobicContact CG2-CG1 3.98Å; V343-I361 HydrophobicContact CG2-CG2 3.65Å; W359-I361 HydrophobicContact CD2-CG2 3.8Å; W359-I361 HydrophobicContact CE3-CG2 3.87Å; W359-I361 HydrophobicContact CG-CG2 4.36Å; W359-I361 HydrophobicContact CH2-CG2 4.26Å; W359-I361 HydrophobicContact CZ2-CG2 4.15Å; W359-I361 HydrophobicContact CZ3-CG2 4.13Å; W359-I361 PolarHBondContact O-N 2.62Å; I361-C390 HydrophobicContact CD1-CB 4.23Å; I361-F408 HydrophobicContact CD1-CE1 4.26Å
362Y98.2Very high97.4Very high19 Ų1929.3 Ų29.38%0.07516%0.156CC..EExtended strand (participates in β ladder)trans-148124.4173.1179.1-92000110.7D340 L341 V360 P365 F392 C394 G395D340-Y362 CarbonylContact C-O 3.49Å; D340-Y362 VanDerWaalsContact CA-O 3.28Å; D340-Y362 WeakPolarHBondContact CA-O 3.29Å; L341-Y362 PolarHBondContact N-O 2.74Å; L341-Y362 PolarHBondContact O-N 2.86Å; V360-Y362 WeakPolarHBondContact CG1-O 3.47Å; Y362-P365 WeakPolarHBondContact CE1-O 3.37Å; Y362-F392 HydrophobicContact CD1-CE2 4.46Å; Y362-F392 HydrophobicContact CD2-CE2 4.02Å; Y362-F392 HydrophobicContact CD2-CZ 4.41Å; Y362-F392 AromaticContact CG-CE2 3.83Å; Y362-F392 HydrophobicContact CG-CE2 3.83Å; Y362-F392 HydrophobicContact CG-CZ 4.43Å; Y362-C394 HydrophobicContact CD1-CB 3.99Å; Y362-C394 HydrophobicContact CD2-CB 4.43Å; Y362-C394 HydrophobicContact CE1-CB 3.58Å; Y362-C394 HydrophobicContact CE2-CB 4.07Å; Y362-C394 HydrophobicContact CG-CB 4.38Å; Y362-G395 VanDerWaalsContact OH-C 3.31Å; Y362-G395 PolarHBondContact OH-N 3.39Å; Y362-G395 PolarHBondContact OH-O 2.99Å
363E97.5Very high97.5Very high118 Ų11831.1 Ų31.155%0.55116%0.16SC*.EExtended strand (participates in β ladder)trans-93.2129.5174.2-171.1-176163.300110.6F6 D340F6-E363 HydrophobicContact CE1-CB 4.35Å; F6-E363 HydrophobicContact CZ-CB 4.06Å; D340-E363 WeakPolarHBondContact OD1-CA 3.37Å
364G97.4Very high97.4Very high4 Ų425.6 Ų25.64%0.04113%0.13CC..EExtended strand (participates in β ladder)trans119.1-172.7-179.400000114.5R339 D340 S366R339-G364 WeakPolarHBondContact CA-O 3.39Å; D340-G364 PolarHBondContact N-O 2.73Å; D340-G364 PolarHBondContact OD1-N 2.62Å; G364-S366 PolarHBondContact O-N 2.91Å; G364-S366 VanDerWaalsContact O-N 3.13Å; G364-S366 PolarHBondContact O-OG 2.75Å; G364-S366 VanDerWaalsContact O-OG 3.12Å
365P98.3Very high97.2Very high26 Ų2629.5 Ų29.517%0.16915%0.147CC..EExtended strand (participates in β ladder)trans-50.8117.7176.9-25.532.5000111.9Y362 C394 G395 T398 A399Y362-P365 WeakPolarHBondContact CE1-O 3.37Å; P365-C394 CarbonylContact O-C 3.47Å; P365-C394 VanDerWaalsContact O-CA 3.25Å; P365-C394 WeakPolarHBondContact O-CA 3.04Å; P365-G395 VanDerWaalsContact CD-O 3.29Å; P365-G395 WeakPolarHBondContact CD-O 3.3Å; P365-G395 PolarHBondContact O-N 3.1Å; P365-G395 VanDerWaalsContact O-N 3.12Å; P365-T398 VanDerWaalsContact CB-C 3.47Å; P365-A399 HydrophobicContact CB-CB 4.19Å
366S98.3Very high96.6Very high0 Ų030.2 Ų30.20%015%0.152CC..EExtended strand (participates in β ladder)trans-152144.4-178.844.60000110.4P332 R338 D340 L341 G364 E393P332-S366 WeakPolarHBondContact CG-O 3.11Å; R338-S366 CarbonylContact C-O 3.58Å; R338-S366 WeakPolarHBondContact CA-O 3.23Å; R338-S366 VanDerWaalsContact CB-O 3.24Å; R338-S366 WeakPolarHBondContact CB-O 3.35Å; R338-S366 PolarHBondContact O-N 3.15Å; R338-S366 VanDerWaalsContact O-O 3.06Å; D340-S366 PolarHBondContact N-OG 3.48Å; D340-S366 VanDerWaalsContact N-OG 3.15Å; L341-S366 PolarHBondContact N-OG 3.23Å; L341-S366 VanDerWaalsContact N-OG 3.11Å; G364-S366 PolarHBondContact O-N 2.91Å; G364-S366 VanDerWaalsContact O-N 3.13Å; G364-S366 PolarHBondContact O-OG 2.75Å; G364-S366 VanDerWaalsContact O-OG 3.12Å; S366-E393 VanDerWaalsContact CA-O 3.24Å; S366-E393 WeakPolarHBondContact CA-O 3.27Å
367A98.4Very high95.7Very high0 Ų028.2 Ų28.20%016%0.157CC..EExtended strand (participates in β ladder)trans-137-116.8-171.800000111.7R338 E393 A399 Y400R338-A367 HydrophobicContact CB-CB 4.43Å; A367-E393 HydrophobicContact CB-CB 4.05Å; A367-E393 VanDerWaalsContact CB-OE2 3.24Å; A367-E393 WeakPolarHBondContact CB-OE2 3.15Å; A367-E393 PolarHBondContact N-O 3.19Å; A367-A399 HydrophobicContact CB-CB 3.73Å; A367-Y400 HydrophobicContact CB-CE1 4.16Å
368Y98.8Very high94.1Very high18 Ų1829.8 Ų29.87%0.07116%0.161CC..EExtended strand (participates in β ladder)trans-66.5147.9-170.5-73.531.5000109.4P161 E222 R242 H277 F392 E393P161-Y368 HydrophobicContact CG-CD2 3.81Å; P161-Y368 HydrophobicContact CG-CE2 3.88Å; E222-Y368 PolarHBondContact OE1-OH 3.04Å; R242-Y368 PolarHBondContact NH1-OH 2.69Å; H277-Y368 HydrophobicContact CB-CD1 3.73Å; H277-Y368 HydrophobicContact CB-CD2 3.42Å; H277-Y368 VanDerWaalsContact CB-CD2 3.42Å; H277-Y368 HydrophobicContact CB-CE1 3.74Å; H277-Y368 HydrophobicContact CB-CE2 3.43Å; H277-Y368 VanDerWaalsContact CB-CE2 3.43Å; H277-Y368 HydrophobicContact CB-CG 3.57Å; H277-Y368 AromaticContact CG-CD2 3.83Å; Y368-F392 CarbonylContact O-C 3.55Å; Y368-F392 VanDerWaalsContact O-CA 3.3Å; Y368-F392 WeakPolarHBondContact O-CA 3.42Å; Y368-E393 WeakPolarHBondContact CB-OE2 3.49Å; Y368-E393 PolarHBondContact N-OE2 3.42Å; Y368-E393 VanDerWaalsContact N-OE2 3.15Å; Y368-E393 PolarHBondContact O-N 3.35Å
369S98.9Very high92.7Very high0 Ų030.8 Ų30.80%017%0.17CC..EExtended strand (participates in β ladder)trans-144.6155.4179620000110.9H277 S279 S330 L391H277-S369 PolarHBondContact CE1-O 2.83Å; H277-S369 PolarHBondContact ND1-O 2.87Å; S279-S369 VanDerWaalsContact CB-O 3.26Å; S279-S369 WeakPolarHBondContact CB-O 3.39Å; S330-S369 PolarHBondContact O-OG 2.77Å; S330-S369 PolarHBondContact OG-OG 3.3Å; S369-L391 CarbonylContact C-O 3.6Å; S369-L391 WeakPolarHBondContact CA-O 3.46Å
370D98.9Very high91.1Very high0 Ų037 Ų370%021%0.211CC..EExtended strand (participates in β ladder)trans-139128.1172-157.222.4000110.6A26 L27 G162 H163 Q224 S279 C390 L391A26-D370 VanDerWaalsContact CA-OD2 3.28Å; A26-D370 WeakPolarHBondContact CA-OD2 3.34Å; L27-D370 HydrophobicContact CB-CB 4.16Å; L27-D370 PolarHBondContact N-OD2 2.96Å; G162-D370 VanDerWaalsContact CA-CG 3.47Å; G162-D370 WeakPolarHBondContact CA-OD2 3.26Å; H163-D370 IonicContact CE1-OD1 3.35Å; H163-D370 IonicContact CG-OD1 2.97Å; H163-D370 PolarHBondContact N-OD1 3.28Å; H163-D370 PolarHBondContact N-OD2 3.16Å; H163-D370 IonicContact ND1-OD1 3.37Å; H163-D370 PolarHBondContact ND1-OD1 3.01Å; H163-D370 IonicContact ND1-OD2 3.16Å; Q224-D370 PolarHBondContact NE2-OD1 2.78Å; S279-D370 PolarHBondContact OG-OD1 3.47Å; D370-C390 WeakPolarHBondContact O-CA 3.46Å; D370-L391 PolarHBondContact N-O 2.99Å; D370-L391 PolarHBondContact O-N 3.11Å
371L98.9Very high89.5Confident0 Ų039.3 Ų39.30%024%0.243CC..EExtended strand (participates in β ladder)trans-97.4151.8-177.8-71.2169.8000110.9H163 S279 V281 V328 S330 A389 C390 F408H163-L371 PolarHBondContact ND1-O 2.95Å; S279-L371 WeakPolarHBondContact OG-CB 3.38Å; S279-L371 PolarHBondContact OG-N 3.47Å; V281-L371 HydrophobicContact CB-CB 4.38Å; V281-L371 HydrophobicContact CG1-CB 3.71Å; V281-L371 WeakPolarHBondContact CG1-O 3.2Å; V281-L371 HydrophobicContact CG2-CB 3.78Å; V281-L371 HydrophobicContact CG2-CD1 4.08Å; V328-L371 HydrophobicContact CB-CD1 4.38Å; V328-L371 HydrophobicContact CG1-CD1 3.92Å; S330-L371 WeakPolarHBondContact OG-CG 3.31Å; L371-A389 CarbonylContact C-O 3.56Å; L371-A389 VanDerWaalsContact CA-O 3.27Å; L371-A389 WeakPolarHBondContact CA-O 3.24Å; L371-C390 HydrophobicContact CD2-CB 3.73Å; L371-F408 HydrophobicContact CD2-CZ 4.36Å
372A98.3Very high88.1Confident8 Ų844.4 Ų44.47%0.06627%0.267CS..EExtended strand (participates in β ladder)trans-135137.3166.100000110L27 F36 F388 A389L27-A372 HydrophobicContact CD2-CB 3.84Å; L27-A372 HydrophobicContact CG-CB 4.16Å; F36-A372 HydrophobicContact CE1-CB 4.25Å; A372-F388 CarbonylContact O-C 3.56Å; A372-F388 VanDerWaalsContact O-CA 3.29Å; A372-F388 WeakPolarHBondContact O-CA 3.37Å; A372-A389 HydrophobicContact CB-CB 4.44Å; A372-A389 PolarHBondContact N-O 3.03Å; A372-A389 PolarHBondContact O-N 2.82Å
373Y96.7Very high86.9Confident59 Ų5948.6 Ų48.623%0.23130%0.297CS..EExtended strand (participates in β ladder)trans-88.5141.7171.4159.9-113000110.5F283 E375 V386 F388F283-Y373 HydrophobicContact CB-CD1 4.36Å; F283-Y373 HydrophobicContact CB-CD2 3.6Å; F283-Y373 HydrophobicContact CB-CE1 4.38Å; F283-Y373 HydrophobicContact CB-CE2 3.65Å; F283-Y373 HydrophobicContact CB-CG 3.97Å; F283-Y373 HydrophobicContact CG-CD2 4.45Å; Y373-E375 HydrophobicContact CE1-CG 4.38Å; Y373-E375 HydrophobicContact CE2-CG 4.15Å; Y373-E375 WeakPolarHBondContact OH-CG 3.33Å; Y373-E375 PolarHBondContact OH-OE1 3.13Å; Y373-V386 HydrophobicContact CD2-CG1 4.21Å; Y373-V386 HydrophobicContact CE2-CG1 3.93Å; Y373-V386 HydrophobicContact CE2-CG2 4.37Å; Y373-F388 HydrophobicContact CD2-CE1 4.15Å
374L93.2Very high86.1Confident2 Ų246.1 Ų46.11%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-147.3147.617461157.8000111.6Y29 F36 F61 L376 A387 A389Y29-L374 HydrophobicContact CD1-CB 3.74Å; Y29-L374 HydrophobicContact CE1-CB 3.65Å; Y29-L374 HydrophobicContact CG-CB 4.38Å; F36-L374 HydrophobicContact CZ-CD1 4Å; F36-L374 HydrophobicContact CZ-CD2 4.19Å; F61-L374 HydrophobicContact CD1-CD1 4.1Å; F61-L374 HydrophobicContact CE1-CD1 3.49Å; F61-L374 VanDerWaalsContact CE1-CD1 3.49Å; F61-L374 HydrophobicContact CE2-CD1 4.24Å; F61-L374 HydrophobicContact CZ-CD1 3.55Å; L374-L376 HydrophobicContact CD1-CD2 3.71Å; L374-L376 HydrophobicContact CG-CD2 4.3Å; L374-A387 HydrophobicContact CD2-CB 4.32Å; L374-A387 WeakPolarHBondContact CD2-O 3.48Å; L374-A387 HydrophobicContact CG-CB 4.13Å; L374-A387 PolarHBondContact N-O 2.87Å; L374-A387 PolarHBondContact O-N 3.29Å; L374-A387 VanDerWaalsContact O-O 3.05Å; L374-A389 HydrophobicContact CD2-CB 4.22Å
375E90.3Very high85.6Confident99 Ų9948.1 Ų48.146%0.46331%0.306SS..EExtended strand (participates in β ladder)trans-96.7121.1170.3-66.1-164.114500110.3Y373 P384Y373-E375 HydrophobicContact CE1-CG 4.38Å; Y373-E375 HydrophobicContact CE2-CG 4.15Å; Y373-E375 WeakPolarHBondContact OH-CG 3.33Å; Y373-E375 PolarHBondContact OH-OE1 3.13Å; E375-P384 HydrophobicContact CB-CB 3.99Å; E375-P384 HydrophobicContact CG-CB 4.39Å
376L84.6Confident85.3Confident35 Ų3547.9 Ų47.918%0.18331%0.305CS..EExtended strand (participates in β ladder)trans-85.2123.7172.4-51.7-176000108.4F61 L374 P378 P384 A385 A387F61-L376 HydrophobicContact CE1-CD2 3.57Å; F61-L376 HydrophobicContact CZ-CD2 3.43Å; F61-L376 VanDerWaalsContact CZ-CD2 3.43Å; L374-L376 HydrophobicContact CD1-CD2 3.71Å; L374-L376 HydrophobicContact CG-CD2 4.3Å; L376-P378 WeakPolarHBondContact O-CD 3.42Å; L376-P384 CarbonylContact O-C 3.59Å; L376-P384 VanDerWaalsContact O-CA 3.26Å; L376-P384 WeakPolarHBondContact O-CA 3.04Å; L376-A385 HydrophobicContact CB-CB 4.23Å; L376-A385 WeakPolarHBondContact CB-O 3.47Å; L376-A385 PolarHBondContact N-O 3.04Å; L376-A385 PolarHBondContact O-N 2.89Å; L376-A387 HydrophobicContact CD1-CB 3.63Å; L376-A387 HydrophobicContact CD2-CB 4.03Å; L376-A387 HydrophobicContact CG-CB 3.66Å
377S78.1Confident85.2Confident81 Ų8148 Ų4857%0.56631%0.305SS*.  trans-9599.6168.9-50.90000109.2S379S377-S379 PolarHBondContact O-N 3.4Å
378P61.2Low85.2Confident61 Ų6148 Ų4840%0.39631%0.305SS..  trans-69-31.7-175.125.1-32.8000112.7L376 E382L376-P378 WeakPolarHBondContact O-CD 3.42Å; P378-E382 WeakPolarHBondContact CB-OE2 3.27Å; P378-E382 HydrophobicContact CG-CB 3.83Å; P378-E382 WeakPolarHBondContact CG-OE2 2.95Å
379S66.2Low85.1Confident62 Ų6247.1 Ų47.143%0.43430%0.302SS..SBendtrans-165.9160174.5-78.50000111.8S377 G381 E382S377-S379 PolarHBondContact O-N 3.4Å; S379-G381 PolarHBondContact O-N 3.5Å; S379-E382 PolarHBondContact O-N 3.41Å
380P65.3Low85.1Confident140 Ų14047.1 Ų47.191%0.90930%0.302SS*.THydrogen-bonded Turntrans-57.3120.8171.8-20.231.6000110.9
381G65Low85.1Confident89 Ų8947.1 Ų47.192%0.91830%0.302SS*.THydrogen-bonded Turntrans94.3-5.1178.200000115.8S379S379-G381 PolarHBondContact O-N 3.5Å
382E68.4Low85.1Confident112 Ų11247.1 Ų47.152%0.52330%0.302SS..SBendtrans-90.8145.6170-72.4-173.6170.800111.2P378 S379P378-E382 WeakPolarHBondContact CB-OE2 3.27Å; P378-E382 HydrophobicContact CG-CB 3.83Å; P378-E382 WeakPolarHBondContact CG-OE2 2.95Å; S379-E382 PolarHBondContact O-N 3.41Å
383P71.8Confident85.1Confident107 Ų10746.7 Ų46.770%0.69530%0.299SS*.PPolyproline II helixtrans-62.2142.8176.226.2-33000110.4A385P383-A385 PolarHBondContact O-N 2.82Å
384P80.1Confident85.2Confident66 Ų6643.9 Ų43.943%0.42929%0.288SS..PPolyproline II helixtrans-61.1138.3177.624.4-31.6000110.5E375 L376E375-P384 HydrophobicContact CB-CB 3.99Å; E375-P384 HydrophobicContact CG-CB 4.39Å; L376-P384 CarbonylContact O-C 3.59Å; L376-P384 VanDerWaalsContact O-CA 3.26Å; L376-P384 WeakPolarHBondContact O-CA 3.04Å
385A87.6Confident85.4Confident45 Ų4543.8 Ų43.837%0.37229%0.287SS..EExtended strand (participates in β ladder)trans-93133.4171.900000109.7L376 P383L376-A385 HydrophobicContact CB-CB 4.23Å; L376-A385 WeakPolarHBondContact CB-O 3.47Å; L376-A385 PolarHBondContact N-O 3.04Å; L376-A385 PolarHBondContact O-N 2.89Å; P383-A385 PolarHBondContact O-N 2.82Å
386V93.2Very high85.6Confident22 Ų2244.8 Ų44.813%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-76129.1178.1174.10000110F283 Y373 F388 L410F283-V386 HydrophobicContact CD2-CG1 3.76Å; F283-V386 HydrophobicContact CD2-CG2 4.33Å; F283-V386 HydrophobicContact CE2-CG1 4.02Å; F283-V386 HydrophobicContact CG-CG1 4.32Å; Y373-V386 HydrophobicContact CD2-CG1 4.21Å; Y373-V386 HydrophobicContact CE2-CG1 3.93Å; Y373-V386 HydrophobicContact CE2-CG2 4.37Å; V386-F388 HydrophobicContact CG1-CE1 4.11Å; V386-F388 HydrophobicContact CG1-CE2 3.77Å; V386-F388 HydrophobicContact CG1-CZ 3.41Å; V386-F388 VanDerWaalsContact CG1-CZ 3.41Å; V386-L410 HydrophobicContact CB-CB 3.89Å; V386-L410 HydrophobicContact CB-CD2 4.08Å; V386-L410 HydrophobicContact CG1-CB 3.9Å; V386-L410 HydrophobicContact CG1-CD2 4.21Å; V386-L410 HydrophobicContact CG2-CD2 4.46Å; V386-L410 PolarHBondContact O-N 2.91Å
387A95.1Very high86.1Confident1 Ų151.7 Ų51.71%0.00833%0.329CS..EExtended strand (participates in β ladder)trans-136.6165.8170.900000111.8L374 L376 F408L374-A387 HydrophobicContact CD2-CB 4.32Å; L374-A387 WeakPolarHBondContact CD2-O 3.48Å; L374-A387 HydrophobicContact CG-CB 4.13Å; L374-A387 PolarHBondContact N-O 2.87Å; L374-A387 PolarHBondContact O-N 3.29Å; L374-A387 VanDerWaalsContact O-O 3.05Å; L376-A387 HydrophobicContact CD1-CB 3.63Å; L376-A387 HydrophobicContact CD2-CB 4.03Å; L376-A387 HydrophobicContact CG-CB 3.66Å; A387-F408 CarbonylContact C-O 3.56Å; A387-F408 WeakPolarHBondContact CA-O 3.24Å
388F97.7Very high86.9Confident0 Ų050.8 Ų50.80%032%0.32CS..EExtended strand (participates in β ladder)trans-133.4144.4-179.2-51.1-80.2000109V281 F283 V328 A372 Y373 V386 V407 F408 L410 L413V281-F388 HydrophobicContact CG2-CD1 4.12Å; V281-F388 HydrophobicContact CG2-CE1 4.45Å; F283-F388 HydrophobicContact CB-CE1 4.44Å; F283-F388 AromaticContact CD1-CE1 3.62Å; F283-F388 HydrophobicContact CD1-CE1 3.62Å; F283-F388 AromaticContact CD1-CZ 3.64Å; F283-F388 HydrophobicContact CD1-CZ 3.64Å; F283-F388 HydrophobicContact CD2-CZ 4.21Å; F283-F388 AromaticContact CE1-CE1 3.99Å; F283-F388 HydrophobicContact CE1-CE1 3.99Å; F283-F388 AromaticContact CE1-CZ 3.58Å; F283-F388 HydrophobicContact CE1-CZ 3.58Å; F283-F388 HydrophobicContact CE2-CZ 4.14Å; F283-F388 AromaticContact CG-CE1 3.99Å; F283-F388 HydrophobicContact CG-CE1 3.99Å; F283-F388 AromaticContact CG-CZ 3.96Å; F283-F388 HydrophobicContact CG-CZ 3.96Å; F283-F388 AromaticContact CZ-CZ 3.8Å; F283-F388 HydrophobicContact CZ-CZ 3.8Å; V328-F388 HydrophobicContact CB-CE1 4.38Å; V328-F388 HydrophobicContact CG2-CD1 4.04Å; V328-F388 HydrophobicContact CG2-CD2 4.43Å; V328-F388 HydrophobicContact CG2-CE1 3.53Å; V328-F388 HydrophobicContact CG2-CE2 3.96Å; V328-F388 HydrophobicContact CG2-CG 4.47Å; V328-F388 HydrophobicContact CG2-CZ 3.48Å; V328-F388 VanDerWaalsContact CG2-CZ 3.48Å; A372-F388 CarbonylContact O-C 3.56Å; A372-F388 VanDerWaalsContact O-CA 3.29Å; A372-F388 WeakPolarHBondContact O-CA 3.37Å; Y373-F388 HydrophobicContact CD2-CE1 4.15Å; V386-F388 HydrophobicContact CG1-CE1 4.11Å; V386-F388 HydrophobicContact CG1-CE2 3.77Å; V386-F388 HydrophobicContact CG1-CZ 3.41Å; V386-F388 VanDerWaalsContact CG1-CZ 3.41Å; F388-V407 CarbonylContact O-C 3.55Å; F388-V407 VanDerWaalsContact O-CA 3.32Å; F388-V407 WeakPolarHBondContact O-CA 3.34Å; F388-F408 HydrophobicContact CB-CD2 4.18Å; F388-F408 HydrophobicContact CB-CE1 4.49Å; F388-F408 HydrophobicContact CB-CE2 3.65Å; F388-F408 HydrophobicContact CB-CZ 3.83Å; F388-F408 HydrophobicContact CD2-CD2 4.07Å; F388-F408 AromaticContact CD2-CE2 3.76Å; F388-F408 HydrophobicContact CD2-CE2 3.76Å; F388-F408 HydrophobicContact CG-CE2 4.05Å; F388-F408 PolarHBondContact N-O 2.93Å; F388-F408 PolarHBondContact O-N 2.86Å; F388-L410 HydrophobicContact CE2-CB 4.04Å; F388-L410 HydrophobicContact CE2-CD1 4.07Å; F388-L410 HydrophobicContact CZ-CD1 4.39Å; F388-L413 HydrophobicContact CE2-CD2 4.33Å
389A98.2Very high88.6Confident0 Ų048.3 Ų48.30%030%0.304CS..EExtended strand (participates in β ladder)trans-110.5146.4166.300000109.2L27 F36 L371 A372 L374 F405 S406 V407L27-A389 HydrophobicContact CD2-CB 3.87Å; F36-A389 HydrophobicContact CD1-CB 4.46Å; F36-A389 HydrophobicContact CE1-CB 3.53Å; F36-A389 HydrophobicContact CZ-CB 3.77Å; L371-A389 CarbonylContact C-O 3.56Å; L371-A389 VanDerWaalsContact CA-O 3.27Å; L371-A389 WeakPolarHBondContact CA-O 3.24Å; A372-A389 HydrophobicContact CB-CB 4.44Å; A372-A389 PolarHBondContact N-O 3.03Å; A372-A389 PolarHBondContact O-N 2.82Å; L374-A389 HydrophobicContact CD2-CB 4.22Å; A389-F405 HydrophobicContact CB-CE2 3.68Å; A389-F405 HydrophobicContact CB-CZ 3.91Å; A389-S406 CarbonylContact C-O 3.54Å; A389-S406 VanDerWaalsContact CA-O 3.25Å; A389-S406 WeakPolarHBondContact CA-O 3.46Å; A389-V407 HydrophobicContact CB-CG2 4.16Å
390C98.8Very high90Very high0 Ų048.1 Ų48.10%030%0.295CS..EExtended strand (participates in β ladder)trans-132.1123.8177-170.50000109I361 D370 L371 F392 F405 S406 F408I361-C390 HydrophobicContact CD1-CB 4.23Å; D370-C390 WeakPolarHBondContact O-CA 3.46Å; L371-C390 HydrophobicContact CD2-CB 3.73Å; C390-F392 HydrophobicContact CB-CD1 4.39Å; C390-F405 CarbonylContact O-C 3.55Å; C390-F405 WeakPolarHBondContact O-CA 3.34Å; C390-S406 PolarHBondContact N-O 3.12Å; C390-S406 PolarHBondContact O-N 2.77Å; C390-F408 HydrophobicContact CB-CE1 4.1Å
391L98.9Very high91.5Very high0 Ų042.5 Ų42.50%026%0.257CS..EExtended strand (participates in β ladder)trans-104127.9169.1-17271.3000108L12 P25 L27 A38 S369 D370 I403 C404 F405L12-L391 HydrophobicContact CD1-CD1 3.73Å; L12-L391 HydrophobicContact CG-CD1 4.43Å; P25-L391 HydrophobicContact CB-CB 4.35Å; P25-L391 HydrophobicContact CB-CD2 3.61Å; P25-L391 HydrophobicContact CB-CG 3.72Å; L27-L391 HydrophobicContact CB-CB 3.94Å; L27-L391 HydrophobicContact CB-CD2 4.24Å; L27-L391 HydrophobicContact CD1-CB 4.37Å; L27-L391 HydrophobicContact CD1-CD2 4.47Å; L27-L391 HydrophobicContact CD2-CB 4.11Å; L27-L391 HydrophobicContact CG-CB 4.36Å; A38-L391 HydrophobicContact CB-CD1 4.2Å; A38-L391 HydrophobicContact CB-CD2 3.78Å; S369-L391 CarbonylContact C-O 3.6Å; S369-L391 WeakPolarHBondContact CA-O 3.46Å; D370-L391 PolarHBondContact N-O 2.99Å; D370-L391 PolarHBondContact O-N 3.11Å; L391-I403 HydrophobicContact CD1-CG2 3.59Å; L391-I403 HydrophobicContact CD2-CG2 4.35Å; L391-I403 HydrophobicContact CG-CG2 3.69Å; L391-C404 CarbonylContact C-O 3.57Å; L391-C404 WeakPolarHBondContact CA-O 3.33Å; L391-F405 HydrophobicContact CD1-CB 4.09Å; L391-F405 HydrophobicContact CD1-CD2 4.47Å
392F98.9Very high93.1Very high0 Ų039.9 Ų39.90%022%0.221CC..EExtended strand (participates in β ladder)trans-152.4148.4-171.561.3-85.8000114.2L341 Y362 Y368 C390 C394 I403 C404L341-F392 HydrophobicContact CD2-CB 3.47Å; L341-F392 VanDerWaalsContact CD2-CB 3.47Å; L341-F392 HydrophobicContact CD2-CD1 3.76Å; L341-F392 HydrophobicContact CD2-CD2 3.46Å; L341-F392 VanDerWaalsContact CD2-CD2 3.46Å; L341-F392 HydrophobicContact CD2-CE1 4.34Å; L341-F392 HydrophobicContact CD2-CE2 4.07Å; L341-F392 HydrophobicContact CD2-CG 3.27Å; L341-F392 HydrophobicContact CD2-CZ 4.47Å; Y362-F392 HydrophobicContact CD1-CE2 4.46Å; Y362-F392 HydrophobicContact CD2-CE2 4.02Å; Y362-F392 HydrophobicContact CD2-CZ 4.41Å; Y362-F392 AromaticContact CG-CE2 3.83Å; Y362-F392 HydrophobicContact CG-CE2 3.83Å; Y362-F392 HydrophobicContact CG-CZ 4.43Å; Y368-F392 CarbonylContact O-C 3.55Å; Y368-F392 VanDerWaalsContact O-CA 3.3Å; Y368-F392 WeakPolarHBondContact O-CA 3.42Å; C390-F392 HydrophobicContact CB-CD1 4.39Å; F392-C394 HydrophobicContact CD2-CB 3.86Å; F392-C394 HydrophobicContact CE2-CB 3.77Å; F392-I403 CarbonylContact O-C 3.34Å; F392-I403 VanDerWaalsContact O-CA 3.29Å; F392-I403 WeakPolarHBondContact O-CA 3.48Å; F392-C404 HydrophobicContact CD1-CB 4.46Å; F392-C404 WeakPolarHBondContact CD1-O 3.47Å; F392-C404 HydrophobicContact CD2-CB 4.39Å; F392-C404 HydrophobicContact CE1-CB 3.91Å; F392-C404 HydrophobicContact CE2-CB 3.84Å; F392-C404 HydrophobicContact CZ-CB 3.58Å; F392-C404 PolarHBondContact N-O 3.15Å; F392-C404 PolarHBondContact O-N 3.2Å
393E98.8Very high94.5Very high0 Ų034.5 Ų34.50%020%0.196CC..EExtended strand (participates in β ladder)trans-73.2128.9171.7-61.9-172.8143.600110.3R23 V24 P25 S366 A367 Y368 A399 I403R23-E393 WeakPolarHBondContact CA-OE1 3.25Å; R23-E393 WeakPolarHBondContact CB-OE1 3.32Å; R23-E393 WeakPolarHBondContact CG-OE1 3.34Å; R23-E393 IonicContact CZ-OE1 3.21Å; R23-E393 IonicContact CZ-OE2 2.83Å; R23-E393 IonicContact NE-OE1 3.55Å; R23-E393 PolarHBondContact NE-OE1 3.13Å; R23-E393 IonicContact NE-OE2 3.4Å; R23-E393 IonicContact NH2-OE1 2.77Å; R23-E393 PolarHBondContact NH2-OE1 2.9Å; R23-E393 IonicContact NH2-OE2 3.53Å; R23-E393 PolarHBondContact NH2-OE2 3.07Å; V24-E393 PolarHBondContact N-OE1 2.89Å; P25-E393 HydrophobicContact CG-CG 4.19Å; S366-E393 VanDerWaalsContact CA-O 3.24Å; S366-E393 WeakPolarHBondContact CA-O 3.27Å; A367-E393 HydrophobicContact CB-CB 4.05Å; A367-E393 VanDerWaalsContact CB-OE2 3.24Å; A367-E393 WeakPolarHBondContact CB-OE2 3.15Å; A367-E393 PolarHBondContact N-O 3.19Å; Y368-E393 WeakPolarHBondContact CB-OE2 3.49Å; Y368-E393 PolarHBondContact N-OE2 3.42Å; Y368-E393 VanDerWaalsContact N-OE2 3.15Å; Y368-E393 PolarHBondContact O-N 3.35Å; E393-A399 CarbonylContact C-O 3.59Å; E393-A399 WeakPolarHBondContact CB-O 3.46Å; E393-I403 HydrophobicContact CG-CG1 4.41Å
394C98.6Very high95.8Very high0 Ų029.4 Ų29.40%016%0.163CC..EExtended strand (participates in β ladder)trans-154.1176.8177.264.50000113.4Y362 P365 F392 A399 D401 E402 C404Y362-C394 HydrophobicContact CD1-CB 3.99Å; Y362-C394 HydrophobicContact CD2-CB 4.43Å; Y362-C394 HydrophobicContact CE1-CB 3.58Å; Y362-C394 HydrophobicContact CE2-CB 4.07Å; Y362-C394 HydrophobicContact CG-CB 4.38Å; P365-C394 CarbonylContact O-C 3.47Å; P365-C394 VanDerWaalsContact O-CA 3.25Å; P365-C394 WeakPolarHBondContact O-CA 3.04Å; F392-C394 HydrophobicContact CD2-CB 3.86Å; F392-C394 HydrophobicContact CE2-CB 3.77Å; C394-A399 PolarHBondContact N-O 3.15Å; C394-A399 VanDerWaalsContact N-O 3.09Å; C394-A399 CarbonylContact O-C 3.58Å; C394-D401 PolarHBondContact O-N 3.38Å; C394-E402 PolarHBondContact N-O 2.87Å; C394-E402 PolarHBondContact O-N 3.23Å; C394-E402 VanDerWaalsContact O-O 3.06Å; C394-C404 PolarHBondContact SG-SG 2.83Å
395G97.1Very high96.7Very high0 Ų026.6 Ų26.60%014%0.144CC..  trans171.1173.1170.200000114.4Y362 P365 T398Y362-G395 VanDerWaalsContact OH-C 3.31Å; Y362-G395 PolarHBondContact OH-N 3.39Å; Y362-G395 PolarHBondContact OH-O 2.99Å; P365-G395 VanDerWaalsContact CD-O 3.29Å; P365-G395 WeakPolarHBondContact CD-O 3.3Å; P365-G395 PolarHBondContact O-N 3.1Å; P365-G395 VanDerWaalsContact O-N 3.12Å; G395-T398 CarbonylContact C-O 3.11Å; G395-T398 WeakPolarHBondContact CA-O 3.28Å; G395-T398 PolarHBondContact N-O 3.43Å
396T94.8Very high97.2Very high120 Ų12024.6 Ų24.674%0.73613%0.127SC*.SBendtrans-83.7-32.3-179.757.20000112.3D401T396-D401 PolarHBondContact N-OD2 3.34Å
397K94.3Very high97.3Very high180 Ų18025.2 Ų25.278%0.78313%0.13SC*.SBendtrans-104.2-47.2-179.6-63.4178.9-178.1175.40111D401K397-D401 WeakPolarHBondContact CB-OD2 3.1Å; K397-D401 PolarHBondContact N-OD2 3.29Å
398T95.8Very high97.3Very high61 Ų6125.2 Ų25.237%0.37413%0.13SC..SBendtrans-134.9161.2-179.8800000110P365 G395 Y400 D401P365-T398 VanDerWaalsContact CB-C 3.47Å; G395-T398 CarbonylContact C-O 3.11Å; G395-T398 WeakPolarHBondContact CA-O 3.28Å; G395-T398 PolarHBondContact N-O 3.43Å; T398-Y400 PolarHBondContact O-N 3.09Å; T398-Y400 VanDerWaalsContact O-N 3.09Å; T398-Y400 PolarHBondContact OG1-N 3.12Å; T398-Y400 VanDerWaalsContact OG1-N 3.17Å; T398-D401 PolarHBondContact N-OD2 2.87Å; T398-D401 PolarHBondContact OG1-OD1 3.17Å
399A95.6Very high97.2Very high9 Ų926.4 Ų26.47%0.07414%0.139CC..THydrogen-bonded Turntrans-68-4.1174.500000113P365 A367 E393 C394P365-A399 HydrophobicContact CB-CB 4.19Å; A367-A399 HydrophobicContact CB-CB 3.73Å; E393-A399 CarbonylContact C-O 3.59Å; E393-A399 WeakPolarHBondContact CB-O 3.46Å; C394-A399 PolarHBondContact N-O 3.15Å; C394-A399 VanDerWaalsContact N-O 3.09Å; C394-A399 CarbonylContact O-C 3.58Å
400Y95.9Very high97.1Very high59 Ų5927.1 Ų27.123%0.23114%0.142CC..THydrogen-bonded Turntrans-112.915.8-172.1-42.7-41.6000112.4R23 P46 R338 A367 T398R23-Y400 HydrophobicContact CG-CD1 4.49Å; P46-Y400 HydrophobicContact CB-CD2 4.36Å; R338-Y400 PolarHBondContact NH1-OH 2.88Å; A367-Y400 HydrophobicContact CB-CE1 4.16Å; T398-Y400 PolarHBondContact O-N 3.09Å; T398-Y400 VanDerWaalsContact O-N 3.09Å; T398-Y400 PolarHBondContact OG1-N 3.12Å; T398-Y400 VanDerWaalsContact OG1-N 3.17Å
401D96.9Very high96.8Very high22 Ų2235.4 Ų35.412%0.11818%0.175CC..SBendtrans-78.5-35.8179.2-56.2-23.3000110.3K15 C394 T396 K397 T398K15-D401 VanDerWaalsContact CB-O 3.27Å; K15-D401 WeakPolarHBondContact CB-O 3.34Å; K15-D401 PolarHBondContact N-O 3.09Å; C394-D401 PolarHBondContact O-N 3.38Å; T396-D401 PolarHBondContact N-OD2 3.34Å; K397-D401 WeakPolarHBondContact CB-OD2 3.1Å; K397-D401 PolarHBondContact N-OD2 3.29Å; T398-D401 PolarHBondContact N-OD2 2.87Å; T398-D401 PolarHBondContact OG1-OD1 3.17Å
402E98.1Very high96.7Very high33 Ų3337.9 Ų37.915%0.15419%0.186CC..EExtended strand (participates in β ladder)trans-143.6154.6-172.6-63.3175.7163.700111.5R9 V11 F13 H14 C394R9-E402 IonicContact NH1-OE2 3.68Å; V11-E402 HydrophobicContact CG1-CB 4.14Å; V11-E402 HydrophobicContact CG1-CG 4Å; F13-E402 CarbonylContact O-C 3.59Å; F13-E402 VanDerWaalsContact O-CA 3.3Å; F13-E402 WeakPolarHBondContact O-CA 3.36Å; H14-E402 IonicContact CD2-OE1 2.76Å; C394-E402 PolarHBondContact N-O 2.87Å; C394-E402 PolarHBondContact O-N 3.23Å; C394-E402 VanDerWaalsContact O-O 3.06Å
403I98.8Very high96.5Very high0 Ų037.9 Ų37.90%019%0.186CC..EExtended strand (participates in β ladder)trans-112.8117.2157.2-62.2176.1000107.6L12 F13 P25 C40 L391 F392 E393L12-I403 PolarHBondContact N-O 2.75Å; F13-I403 HydrophobicContact CB-CB 4.14Å; F13-I403 HydrophobicContact CD2-CB 3.94Å; F13-I403 HydrophobicContact CD2-CD1 4.32Å; F13-I403 HydrophobicContact CD2-CG2 4.1Å; F13-I403 PolarHBondContact N-O 3.26Å; F13-I403 PolarHBondContact O-N 2.72Å; P25-I403 HydrophobicContact CB-CD1 4.5Å; P25-I403 HydrophobicContact CB-CG2 4.16Å; C40-I403 HydrophobicContact CB-CD1 3.51Å; L391-I403 HydrophobicContact CD1-CG2 3.59Å; L391-I403 HydrophobicContact CD2-CG2 4.35Å; L391-I403 HydrophobicContact CG-CG2 3.69Å; F392-I403 CarbonylContact O-C 3.34Å; F392-I403 VanDerWaalsContact O-CA 3.29Å; F392-I403 WeakPolarHBondContact O-CA 3.48Å; E393-I403 HydrophobicContact CG-CG1 4.41Å
404C98.7Very high96.4Very high0 Ų041.1 Ų41.10%020%0.203CC..EExtended strand (participates in β ladder)trans-101.7153.2179.8-81.80000111.9S10 L391 F392 C394S10-C404 CarbonylContact O-C 3Å; S10-C404 WeakPolarHBondContact O-CA 3.35Å; L391-C404 CarbonylContact C-O 3.57Å; L391-C404 WeakPolarHBondContact CA-O 3.33Å; F392-C404 HydrophobicContact CD1-CB 4.46Å; F392-C404 WeakPolarHBondContact CD1-O 3.47Å; F392-C404 HydrophobicContact CD2-CB 4.39Å; F392-C404 HydrophobicContact CE1-CB 3.91Å; F392-C404 HydrophobicContact CE2-CB 3.84Å; F392-C404 HydrophobicContact CZ-CB 3.58Å; F392-C404 PolarHBondContact N-O 3.15Å; F392-C404 PolarHBondContact O-N 3.2Å; C394-C404 PolarHBondContact SG-SG 2.83Å
405F98.7Very high96.2Very high7 Ų745.2 Ų45.23%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-120.3134.7173.4173.4-94.7000110.3R9 S10 L12 L27 F36 V66 W68 A389 C390 L391 V407R9-F405 CarbonylContact C-O 3.57Å; R9-F405 VanDerWaalsContact CA-O 3.28Å; R9-F405 WeakPolarHBondContact CA-O 3.43Å; S10-F405 PolarHBondContact N-O 3.26Å; S10-F405 PolarHBondContact O-N 2.89Å; L12-F405 HydrophobicContact CD1-CB 3.67Å; L12-F405 HydrophobicContact CD1-CG 4.28Å; L12-F405 HydrophobicContact CD2-CB 4.2Å; L12-F405 HydrophobicContact CG-CB 3.75Å; L27-F405 HydrophobicContact CD1-CD2 4.44Å; L27-F405 HydrophobicContact CD1-CE2 4.26Å; L27-F405 HydrophobicContact CD2-CD2 4.49Å; L27-F405 HydrophobicContact CD2-CE2 4.18Å; F36-F405 HydrophobicContact CD1-CE2 4.25Å; F36-F405 HydrophobicContact CD2-CZ 4.23Å; F36-F405 HydrophobicContact CE1-CE2 4.36Å; F36-F405 HydrophobicContact CE1-CZ 4.46Å; F36-F405 HydrophobicContact CE2-CZ 4.13Å; F36-F405 HydrophobicContact CG-CE2 4.37Å; F36-F405 HydrophobicContact CG-CZ 4.43Å; F36-F405 HydrophobicContact CZ-CZ 4.24Å; V66-F405 HydrophobicContact CB-CE1 4.11Å; V66-F405 HydrophobicContact CG2-CE1 3.59Å; V66-F405 HydrophobicContact CG2-CZ 3.68Å; W68-F405 HydrophobicContact CH2-CD2 4.27Å; W68-F405 HydrophobicContact CH2-CE2 4.33Å; W68-F405 HydrophobicContact CZ2-CB 4.38Å; W68-F405 AromaticContact CZ2-CD1 3.89Å; W68-F405 HydrophobicContact CZ2-CD1 3.89Å; W68-F405 AromaticContact CZ2-CD2 3.67Å; W68-F405 HydrophobicContact CZ2-CD2 3.67Å; W68-F405 HydrophobicContact CZ2-CE1 4.01Å; W68-F405 AromaticContact CZ2-CE2 3.78Å; W68-F405 HydrophobicContact CZ2-CE2 3.78Å; W68-F405 AromaticContact CZ2-CG 3.71Å; W68-F405 HydrophobicContact CZ2-CG 3.71Å; W68-F405 AromaticContact CZ2-CZ 3.97Å; W68-F405 HydrophobicContact CZ2-CZ 3.97Å; W68-F405 AromaticContact NE1-CD1 3.97Å; A389-F405 HydrophobicContact CB-CE2 3.68Å; A389-F405 HydrophobicContact CB-CZ 3.91Å; C390-F405 CarbonylContact O-C 3.55Å; C390-F405 WeakPolarHBondContact O-CA 3.34Å; L391-F405 HydrophobicContact CD1-CB 4.09Å; L391-F405 HydrophobicContact CD1-CD2 4.47Å; F405-V407 HydrophobicContact CE1-CG2 3.45Å; F405-V407 VanDerWaalsContact CE1-CG2 3.45Å; F405-V407 HydrophobicContact CE2-CG2 4.49Å; F405-V407 HydrophobicContact CZ-CG2 3.43Å; F405-V407 VanDerWaalsContact CZ-CG2 3.43Å
406S97.6Very high96.1Very high2 Ų247.8 Ų47.81%0.01424%0.239CC..EExtended strand (participates in β ladder)trans-136.6150.4175.7-75.60000111.3A8 R9 A389 C390A8-S406 WeakPolarHBondContact O-CA 3.38Å; A8-S406 WeakPolarHBondContact O-CB 3.36Å; A8-S406 PolarHBondContact O-OG 3.43Å; R9-S406 WeakPolarHBondContact CB-OG 3.39Å; A389-S406 CarbonylContact C-O 3.54Å; A389-S406 VanDerWaalsContact CA-O 3.25Å; A389-S406 WeakPolarHBondContact CA-O 3.46Å; C390-S406 PolarHBondContact N-O 3.12Å; C390-S406 PolarHBondContact O-N 2.77Å
407V96.6Very high96.2Very high35 Ų3542.6 Ų42.621%0.21221%0.206CC..EExtended strand (participates in β ladder)trans-123.5137.7171.4-179.30000108.7F388 A389 F405F388-V407 CarbonylContact O-C 3.55Å; F388-V407 VanDerWaalsContact O-CA 3.32Å; F388-V407 WeakPolarHBondContact O-CA 3.34Å; A389-V407 HydrophobicContact CB-CG2 4.16Å; F405-V407 HydrophobicContact CE1-CG2 3.45Å; F405-V407 VanDerWaalsContact CE1-CG2 3.45Å; F405-V407 HydrophobicContact CE2-CG2 4.49Å; F405-V407 HydrophobicContact CZ-CG2 3.43Å; F405-V407 VanDerWaalsContact CZ-CG2 3.43Å
408F95.8Very high96Very high1 Ų137.7 Ų37.70%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-147.8150.3175.953.9-92.5000111P7 V343 W359 I361 L371 A387 F388 C390 L413P7-F408 HydrophobicContact CB-CB 4.14Å; P7-F408 HydrophobicContact CG-CD1 4.36Å; V343-F408 HydrophobicContact CG1-CE2 4.13Å; V343-F408 HydrophobicContact CG1-CZ 4.03Å; V343-F408 HydrophobicContact CG2-CE1 4.28Å; V343-F408 HydrophobicContact CG2-CZ 3.83Å; W359-F408 HydrophobicContact CH2-CB 3.78Å; W359-F408 HydrophobicContact CH2-CD2 4.46Å; W359-F408 HydrophobicContact CH2-CG 4.11Å; W359-F408 HydrophobicContact CZ3-CB 3.88Å; W359-F408 HydrophobicContact CZ3-CD1 4.49Å; W359-F408 AromaticContact CZ3-CD2 3.69Å; W359-F408 HydrophobicContact CZ3-CD2 3.69Å; W359-F408 HydrophobicContact CZ3-CE2 4.35Å; W359-F408 AromaticContact CZ3-CG 3.77Å; W359-F408 HydrophobicContact CZ3-CG 3.77Å; I361-F408 HydrophobicContact CD1-CE1 4.26Å; L371-F408 HydrophobicContact CD2-CZ 4.36Å; A387-F408 CarbonylContact C-O 3.56Å; A387-F408 WeakPolarHBondContact CA-O 3.24Å; F388-F408 HydrophobicContact CB-CD2 4.18Å; F388-F408 HydrophobicContact CB-CE1 4.49Å; F388-F408 HydrophobicContact CB-CE2 3.65Å; F388-F408 HydrophobicContact CB-CZ 3.83Å; F388-F408 HydrophobicContact CD2-CD2 4.07Å; F388-F408 AromaticContact CD2-CE2 3.76Å; F388-F408 HydrophobicContact CD2-CE2 3.76Å; F388-F408 HydrophobicContact CG-CE2 4.05Å; F388-F408 PolarHBondContact N-O 2.93Å; F388-F408 PolarHBondContact O-N 2.86Å; C390-F408 HydrophobicContact CB-CE1 4.1Å; F408-L413 HydrophobicContact CD2-CB 4.48Å
409S95.3Very high95.4Very high26 Ų2646 Ų4618%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-83.5160177.963.50000112.4Y411 E412 L413S409-Y411 PolarHBondContact O-N 2.99Å; S409-E412 WeakPolarHBondContact CB-OE2 3.29Å; S409-E412 PolarHBondContact N-OE2 3.47Å; S409-E412 PolarHBondContact O-N 2.93Å; S409-E412 WeakPolarHBondContact OG-CG 3.5Å; S409-E412 PolarHBondContact OG-N 2.92Å; S409-E412 VanDerWaalsContact OG-N 3.08Å; S409-E412 PolarHBondContact OG-OE2 2.9Å; S409-L413 PolarHBondContact O-N 3.07Å
410L95.4Very high94Very high14 Ų1450.1 Ų50.17%0.07325%0.252CS..Hα-helixtrans-58.9-32.9168.9-17961.6000112.1F283 P286 V386 F388 L413 I414F283-L410 HydrophobicContact CE2-CD1 4.13Å; F283-L410 HydrophobicContact CE2-CD2 3.78Å; F283-L410 HydrophobicContact CZ-CD1 3.78Å; F283-L410 HydrophobicContact CZ-CD2 4.27Å; P286-L410 HydrophobicContact CG-CD2 3.43Å; P286-L410 VanDerWaalsContact CG-CD2 3.43Å; V386-L410 HydrophobicContact CB-CB 3.89Å; V386-L410 HydrophobicContact CB-CD2 4.08Å; V386-L410 HydrophobicContact CG1-CB 3.9Å; V386-L410 HydrophobicContact CG1-CD2 4.21Å; V386-L410 HydrophobicContact CG2-CD2 4.46Å; V386-L410 PolarHBondContact O-N 2.91Å; F388-L410 HydrophobicContact CE2-CB 4.04Å; F388-L410 HydrophobicContact CE2-CD1 4.07Å; F388-L410 HydrophobicContact CZ-CD1 4.39Å; L410-L413 HydrophobicContact CD1-CD2 4.34Å; L410-L413 PolarHBondContact O-N 3.04Å; L410-I414 HydrophobicContact CD1-CD1 3.88Å; L410-I414 HydrophobicContact CD1-CG1 4.03Å; L410-I414 HydrophobicContact CD2-CD1 4.34Å; L410-I414 HydrophobicContact CG-CD1 3.77Å; L410-I414 HydrophobicContact CG-CG1 4.31Å; L410-I414 WeakPolarHBondContact O-CB 3.45Å; L410-I414 WeakPolarHBondContact O-CG1 3.34Å; L410-I414 PolarHBondContact O-N 2.99Å
411Y93.4Very high91.7Very high174 Ų17452 Ų5268%0.68228%0.279SS*.Hα-helixtrans-63.8-46.1175.5176.9-95.5000111.5S409 L413 N415S409-Y411 PolarHBondContact O-N 2.99Å; Y411-L413 VanDerWaalsContact C-N 3.34Å; Y411-N415 VanDerWaalsContact CD1-ND2 3.34Å; Y411-N415 WeakPolarHBondContact CD1-ND2 3.28Å; Y411-N415 VanDerWaalsContact CD2-ND2 3.28Å; Y411-N415 WeakPolarHBondContact CD2-ND2 3.39Å; Y411-N415 WeakPolarHBondContact CE1-ND2 3.43Å; Y411-N415 WeakPolarHBondContact CE2-ND2 3.39Å; Y411-N415 WeakPolarHBondContact O-CB 3.33Å; Y411-N415 PolarHBondContact O-N 3.33Å; Y411-N415 VanDerWaalsContact O-N 3.07Å; Y411-N415 PolarHBondContact O-ND2 3.07Å
412E95.1Very high89Confident52 Ų5255.6 Ų55.624%0.24331%0.312CS..Hα-helixtrans-62.2-43.5174.9-73.7159.7133.100111Y5 W359 S409 N415 N416Y5-E412 HydrophobicContact CE1-CG 4.32Å; Y5-E412 PolarHBondContact OH-OE1 3.48Å; W359-E412 HydrophobicContact CH2-CB 3.82Å; W359-E412 HydrophobicContact CZ3-CB 4.1Å; S409-E412 WeakPolarHBondContact CB-OE2 3.29Å; S409-E412 PolarHBondContact N-OE2 3.47Å; S409-E412 PolarHBondContact O-N 2.93Å; S409-E412 WeakPolarHBondContact OG-CG 3.5Å; S409-E412 PolarHBondContact OG-N 2.92Å; S409-E412 VanDerWaalsContact OG-N 3.08Å; S409-E412 PolarHBondContact OG-OE2 2.9Å; E412-N415 PolarHBondContact O-N 3.49Å; E412-N416 WeakPolarHBondContact O-CB 3.49Å; E412-N416 PolarHBondContact O-N 3.35Å; E412-N416 VanDerWaalsContact O-N 3.15Å; E412-N416 PolarHBondContact O-ND2 3.15Å
413L96.4Very high86Confident0 Ų056.5 Ų56.50%033%0.331CS..Hα-helixtrans-56.1-59.9175.3175.855.7000111.3V328 V343 L345 W359 F388 F408 S409 L410 Y411 N415 N416 L417V328-L413 HydrophobicContact CG1-CD2 4.21Å; V328-L413 HydrophobicContact CG2-CD2 3.95Å; V343-L413 HydrophobicContact CB-CD1 4.08Å; V343-L413 HydrophobicContact CG1-CD1 3.64Å; V343-L413 HydrophobicContact CG1-CD2 4.18Å; L345-L413 HydrophobicContact CB-CD2 4.28Å; L345-L413 HydrophobicContact CD1-CD2 4.44Å; W359-L413 HydrophobicContact CB-CD1 4.38Å; W359-L413 HydrophobicContact CE3-CB 4.2Å; W359-L413 HydrophobicContact CE3-CD1 3.9Å; W359-L413 HydrophobicContact CZ3-CB 4.28Å; F388-L413 HydrophobicContact CE2-CD2 4.33Å; F408-L413 HydrophobicContact CD2-CB 4.48Å; S409-L413 PolarHBondContact O-N 3.07Å; L410-L413 HydrophobicContact CD1-CD2 4.34Å; L410-L413 PolarHBondContact O-N 3.04Å; Y411-L413 VanDerWaalsContact C-N 3.34Å; L413-N415 VanDerWaalsContact C-N 3.28Å; L413-N415 PolarHBondContact O-N 3.35Å; L413-N416 PolarHBondContact O-N 2.8Å; L413-N416 VanDerWaalsContact O-N 3.15Å; L413-L417 HydrophobicContact CD1-CD2 4Å; L413-L417 HydrophobicContact CD1-CG 4.16Å; L413-L417 WeakPolarHBondContact O-CG 3.48Å; L413-L417 PolarHBondContact O-N 2.99Å
414I95.3Very high82.9Confident68 Ų6862.5 Ų62.535%0.34937%0.369SS..Hα-helixtrans-58.1-39.6-175.8-69.3171.5000112.2W326 L345 L410 N416W326-I414 HydrophobicContact CZ3-CD1 4.43Å; L345-I414 HydrophobicContact CD2-CG1 3.94Å; L410-I414 HydrophobicContact CD1-CD1 3.88Å; L410-I414 HydrophobicContact CD1-CG1 4.03Å; L410-I414 HydrophobicContact CD2-CD1 4.34Å; L410-I414 HydrophobicContact CG-CD1 3.77Å; L410-I414 HydrophobicContact CG-CG1 4.31Å; L410-I414 WeakPolarHBondContact O-CB 3.45Å; L410-I414 WeakPolarHBondContact O-CG1 3.34Å; L410-I414 PolarHBondContact O-N 2.99Å; I414-N416 VanDerWaalsContact C-N 3.35Å
415N94.8Very high79.8Confident87 Ų8773.7 Ų73.747%0.46541%0.411SS..Hα-helixtrans-74.2-24.7-177.4-76.6-51.3000114.3Y411 E412 L413Y411-N415 VanDerWaalsContact CD1-ND2 3.34Å; Y411-N415 WeakPolarHBondContact CD1-ND2 3.28Å; Y411-N415 VanDerWaalsContact CD2-ND2 3.28Å; Y411-N415 WeakPolarHBondContact CD2-ND2 3.39Å; Y411-N415 WeakPolarHBondContact CE1-ND2 3.43Å; Y411-N415 WeakPolarHBondContact CE2-ND2 3.39Å; Y411-N415 WeakPolarHBondContact O-CB 3.33Å; Y411-N415 PolarHBondContact O-N 3.33Å; Y411-N415 VanDerWaalsContact O-N 3.07Å; Y411-N415 PolarHBondContact O-ND2 3.07Å; E412-N415 PolarHBondContact O-N 3.49Å; L413-N415 VanDerWaalsContact C-N 3.28Å; L413-N415 PolarHBondContact O-N 3.35Å
416N95.9Very high76.7Confident54 Ų5479.4 Ų79.429%0.28945%0.447SS..Hα-helixtrans-99.9-5.2-179.4-67.6-70.4000113.2Y5 W359 E412 L413 I414Y5-N416 WeakPolarHBondContact CD1-ND2 3.29Å; W359-N416 HydrophobicContact CB-CB 4.13Å; W359-N416 HydrophobicContact CD2-CB 3.61Å; W359-N416 HydrophobicContact CE3-CB 4.42Å; W359-N416 HydrophobicContact CG-CB 3.43Å; W359-N416 VanDerWaalsContact CG-CB 3.43Å; W359-N416 HydrophobicContact CZ2-CB 4.44Å; E412-N416 WeakPolarHBondContact O-CB 3.49Å; E412-N416 PolarHBondContact O-N 3.35Å; E412-N416 VanDerWaalsContact O-N 3.15Å; E412-N416 PolarHBondContact O-ND2 3.15Å; L413-N416 PolarHBondContact O-N 2.8Å; L413-N416 VanDerWaalsContact O-N 3.15Å; I414-N416 VanDerWaalsContact C-N 3.35Å
417L95.1Very high73.6Confident11 Ų1185.8 Ų85.86%0.05848%0.481CS..SBendtrans-62.2142.4167.6-71172.8000110.5L345 R356 W359 L413 R419L345-L417 HydrophobicContact CB-CD1 3.85Å; L345-L417 HydrophobicContact CD2-CD1 3.93Å; R356-L417 HydrophobicContact CB-CD1 4.29Å; W359-L417 HydrophobicContact CB-CD2 4.41Å; L413-L417 HydrophobicContact CD1-CD2 4Å; L413-L417 HydrophobicContact CD1-CG 4.16Å; L413-L417 WeakPolarHBondContact O-CG 3.48Å; L413-L417 PolarHBondContact O-N 2.99Å; L417-R419 PolarHBondContact O-N 2.75Å
418P91.3Very high70.6Confident76 Ų7695.5 Ų95.549%0.49451%0.514SS..PPolyproline II helixtrans-55.9133.1173.7-2433.7000111.1P358 A420P358-P418 WeakPolarHBondContact O-CD 3.43Å; P418-A420 PolarHBondContact O-N 3.41Å
419R81.9Confident67.6Low235 Ų235106.2 Ų106.289%0.88755%0.554SS**PPolyproline II helixtrans-70.3133172-69.4-175.3175.5-175.5-3.4108.7L417 A421L417-R419 PolarHBondContact O-N 2.75Å; R419-A421 PolarHBondContact O-N 3.09Å; R419-A421 VanDerWaalsContact O-N 3.13Å
420A66.8Low64.5Low97 Ų97112.2 Ų112.280%0.80258%0.584SS**PPolyproline II helixtrans-52123.5168.500000108.4P418 A422P418-A420 PolarHBondContact O-N 3.41Å; A420-A422 PolarHBondContact O-N 3.03Å
421A48.8Very low61.3Low98 Ų98119.4 Ų119.481%0.8162%0.623SS**PPolyproline II helixtrans-58.7116.4176.300000107.6R419 G423R419-A421 PolarHBondContact O-N 3.09Å; R419-A421 VanDerWaalsContact O-N 3.13Å; A421-G423 PolarHBondContact O-N 3.13Å; A421-G423 VanDerWaalsContact O-N 3.09Å
422A39.2Very low58.3Low97 Ų97120.8 Ų120.880%0.80263%0.632SS**PPolyproline II helixtrans-55.1121.2165.100000106.3A420A420-A422 PolarHBondContact O-N 3.03Å
423G35.4Very low55.2Low53 Ų53124.4 Ų124.455%0.54666%0.658SS.*PPolyproline II helixtrans-50.3156.8179.500000111.4A421 R425A421-G423 PolarHBondContact O-N 3.13Å; A421-G423 VanDerWaalsContact O-N 3.09Å; G423-R425 PolarHBondContact O-N 3.02Å
424P34.2Very low52Low125 Ų125133.8 Ų133.881%0.81270%0.702SS**PPolyproline II helixtrans-54.3119.5-174.120.8-30.4000109.6T426P424-T426 PolarHBondContact O-N 2.95Å
425R33.1Very low48.8Very low235 Ų235139.4 Ų139.489%0.88773%0.727SS**  trans-57.3108.1166.3-77.3-177.8169.6-173.8-3.4106.2G423 D427G423-R425 PolarHBondContact O-N 3.02Å; R425-D427 VanDerWaalsContact C-N 3.3Å; R425-D427 PolarHBondContact O-N 2.91Å
426T33.8Very low45.7Very low128 Ų128139.3 Ų139.379%0.78574%0.738SS**  trans-63.997.8166.7490000106.9P424 R428P424-T426 PolarHBondContact O-N 2.95Å; T426-R428 PolarHBondContact O-N 2.96Å
427D31.7Very low42.4Very low135 Ų135144.9 Ų144.972%0.72277%0.768SS**  trans-59.7104.5163.2-87.1-19.2000107R425 R429R425-D427 VanDerWaalsContact C-N 3.3Å; R425-D427 PolarHBondContact O-N 2.91Å; D427-R429 VanDerWaalsContact C-N 3.28Å; D427-R429 PolarHBondContact O-N 2.93Å
428R33.1Very low39.1Very low240 Ų240150 Ų15091%0.90680%0.804SS**  trans-59.997.2159.7-86-178.4169.6-179.5-3.3106.7T426T426-R428 PolarHBondContact O-N 2.96Å
429R32.7Very low36Very low225 Ų225156 Ų15685%0.84983%0.825SS**  trans-82118.1158-75.9-172.9-176.8-174.41.3107.7D427 N431D427-R429 VanDerWaalsContact C-N 3.28Å; D427-R429 PolarHBondContact O-N 2.93Å; R429-N431 PolarHBondContact O-N 3.35Å
430D31Very low33.4Very low152 Ų152151.2 Ų151.281%0.81382%0.822SS**  trans-55.7117.1172.1-69-47.5000110.5K432D430-K432 PolarHBondContact O-N 3.27Å
431N28.4Very low31.5Very low165 Ų165151.4 Ų151.488%0.88282%0.823SS**  trans-79103.6163.6-101.4-4.9000108.1R429R429-N431 PolarHBondContact O-N 3.35Å
432K31.4Very low30.4Very low203 Ų203149.9 Ų149.988%0.88382%0.816SS**  trans-95.4117.9156.1-87.1-173.6177.61790109.2D430D430-K432 PolarHBondContact O-N 3.27Å
433T29.8Very low29.9Very low128 Ų128153.4 Ų153.479%0.78582%0.817SS**  trans-49.4134.8168.9-28.10000111.9
434Q29.3Very low29.5Very low198 Ų198159.2 Ų159.293%0.92583%0.829SS**  trans-145.3134.6144.2-113.7172.616.700110.1
435Q27.9Very low29.2Very low186 Ų186160.8 Ų160.887%0.86983%0.826SS**  trans-94159.8-165.9-160.8166.7-3.900109.7
436A29.4Very low29.3Very low84 Ų84155.3 Ų155.369%0.69482%0.821SS**  trans-55.6161.6-170.300000117.1
437D26.8Very low29.1Very low171 Ų171159 Ų15991%0.91482%0.82SS**  -160.9150.3122.4-95.2-26.5000113.4
438C25.4Very low28.9Very low120 Ų120160.5 Ų160.581%0.81183%0.828SS**  trans-74.4157.4-174.6-830000115.2
439E25.3Very low28.7Very low202 Ų202153.3 Ų153.394%0.94482%0.82SS**  trans-163.4163.5134.6-112.5173.8-168.300112.9
440V27.4Very low29.8Very low134 Ų134147.9 Ų147.981%0.81281%0.814SS**  trans-119.5161.2-141.8165.90000113.9
441A28.1Very low29.7Very low101 Ų101147.9 Ų147.984%0.83582%0.819SS**  trans80.2142.5158.900000118.8
442G25.5Very low29.8Very low65 Ų65145.1 Ų145.167%0.6781%0.808SS**  cis178.71640.700000111.2
443E27.5Very low29.7Very low172 Ų172142.6 Ų142.680%0.80480%0.799SS**  trans56.4137.9154.8-70.1-175-170.500119.3
444Q26.8Very low29.7Very low174 Ų174144.3 Ų144.381%0.81380%0.798SS**  cis-171.5145.444.8-127.2156.641.500109.8
445E28.1Very low29.7Very low158 Ų158142.4 Ų142.474%0.73879%0.791SS**  trans-97.8160.4165.5-145.1-174-144.900108.4
446P36.5Very low29.7Very low120 Ų120138 Ų13878%0.77979%0.787SS**  -153.7143.794.935.2-14.8000117.9
447R28.6Very low29.8Very low207 Ų207140.6 Ų140.678%0.78178%0.784SS**  trans23.8130.6133.6-59.9-179.4177.8-172.3-1.4121.5
448N27.8Very low29.9Very low165 Ų165139.2 Ų139.288%0.88278%0.782SS**  -176.9143.7109.5-93.1-19.5000113.3
449A29.5Very low30.1Very low89 Ų89141.7 Ų141.774%0.73678%0.779SS**  trans-126.3-167.8166.900000107.4
450P56Low30.4Very low112 Ų112141.5 Ų141.573%0.72778%0.775SS**  cis-131.6168.7-31.136.5-21000112.2
451V29Very low30.5Very low152 Ų152145 Ų14592%0.92177%0.774SS**  trans-150.5146.1151-179.30000111.6
452V29.7Very low30.6Very low106 Ų106149.5 Ų149.564%0.64277%0.769SS**  trans-100.8147.4-166167.80000112
453H30Very low31Very low151 Ų151157.8 Ų157.870%0.69978%0.78SS**  177.8130.1118.8-103.6-64.6000116.9
454Q29.1Very low31.2Very low163 Ų163161.1 Ų161.176%0.76279%0.785SS**  trans50.3121.7141.7-79.1167.9-9.600121.4
455M29.4Very low31.7Very low159 Ų159164.6 Ų164.678%0.78379%0.791SS**  83.411657.8-102.9-164.8155.400117.1
456A28.2Very low31.7Very low94 Ų94167.4 Ų167.478%0.77780%0.8SS**  trans-169.5104.8132.500000108.9
457H30.2Very low31.4Very low137 Ų137169 Ų16963%0.63480%0.802SS**  45.9126.2100.4-80.3-45.6000115.3
458V29.2Very low31.5Very low143 Ų143167.4 Ų167.487%0.86781%0.805SS**  -155.215568.8165.60000113.7
459K29.9Very low31.6Very low172 Ų172168.3 Ų168.375%0.74880%0.801SS**  trans-65.4144.1-172-65.1158.9176.5170.20114.5
460K31.4Very low31.6Very low197 Ų197171.8 Ų171.886%0.85780%0.804SS**  73.8119.562.7-127.9-175.8-161.2174.70115
461R30Very low30.5Very low209 Ų209171.9 Ų171.979%0.78981%0.806SS**  trans143.7147.6131.6-90-172.5162.5179.5-2112.5
462R29.4Very low30.5Very low194 Ų194169.9 Ų169.973%0.73280%0.799SS**  cis-172.1142.7-13.2-151.9175.4-177.9179.3-2.1106.9
463R35.6Very low30.8Very low239 Ų239171 Ų17190%0.90281%0.806SS**  trans-59.8156.5166.1-75.7174.7164.5178-5113.1
464R30.3Very low31.1Very low243 Ų243173 Ų17392%0.91784%0.837SS**  -164.2136.3124.4-109.5176.2179.9-170.5-1.6113.4
465R36.8Very low31.3Very low246 Ų246173.6 Ų173.693%0.92884%0.841SS**  trans-72154166.2-80175.6165.3-179.9-5.8111.3
466K28.5Very low31.3Very low217 Ų217174.3 Ų174.394%0.94384%0.844SS**  trans-155.3153.9140.1-119.4-178.5-179.2-173.40111.9
467L29.7Very low31.5Very low155 Ų155178.8 Ų178.881%0.81285%0.848SS**  trans-100.6149.5-164.7-168.584.1000111.2
468M31.8Very low31.6Very low173 Ų173181.2 Ų181.285%0.85286%0.86SS**  trans36.4132.7153.5-76.1-168.7165.700122.7
469K29.9Very low31.7Very low184 Ų184183.6 Ų183.680%0.886%0.86SS**  -177.2135112.4-111.2-171.1171.9-175.50114.8
470M29.4Very low31.9Very low161 Ų161184.4 Ų184.479%0.79387%0.867SS**  trans74.4140.7134.5-78175.465.800124.2
471C31.9Very low31.9Very low115 Ų115183.5 Ų183.578%0.77787%0.868SS**  trans-72.1169.3179.5-52.80000115.7
472S29.8Very low32Very low109 Ų109181.5 Ų181.576%0.76287%0.874SS**  trans111132139.881.20000118.6
473V36Very low32.3Very low131 Ų131180.5 Ų180.579%0.79489%0.886SS**  trans68.7106.1156.4-158.70000118.5
474S37.4Very low32Very low193 Ų193175.2 Ų175.2100%1.3588%0.884SS**  -164.20113-69.70000109.7

Retrieved 474 of 474 residues in 940.8 ms (Link to these results)

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