A0A087YA22_POEFO Loading...

Programmed cell death 2

AlphaFold DB , UniProt , Accession A0A087YA22, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 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
1M29.6Very low75.8Confident247 Ų24779.1 Ų79.1100%1.21746%0.463SS*.  097.30-72.8169.7158.500106S3M1-S3 PolarHBondContact O-N 3.44Å
2S38.8Very low77.6Confident127 Ų12776.1 Ų76.189%0.88844%0.443SS*.  trans-79.1113.7173.5-172.70000106.1
3S52.4Low79Confident101 Ų10177.9 Ų77.971%0.70645%0.445SS*.PPolyproline II helixtrans-56.7142.1165.4520000108.3M1M1-S3 PolarHBondContact O-N 3.44Å
4S63.4Low80.1Confident103 Ų10386 Ų8672%0.7248%0.477SS*.PPolyproline II helixtrans-55.2142.6165.540.40000108.8E6S4-E6 PolarHBondContact O-N 3.35Å
5P79.1Confident80.9Confident56 Ų5681.9 Ų81.936%0.36446%0.459SS..PPolyproline II helixtrans-63.2133.4176.924.6-30.5000109.4
6E88.4Confident81.6Confident139 Ų13984.2 Ų84.265%0.6547%0.465SS*.PPolyproline II helixtrans-58.7142176.1-172.5174.6-171.600110S4 S269S4-E6 PolarHBondContact O-N 3.35Å; E6-S269 PolarHBondContact O-OG 3.37Å; E6-S269 VanDerWaalsContact O-OG 3.1Å
7V94.1Very high82.2Confident35 Ų3584.3 Ų84.321%0.21247%0.47CS..PPolyproline II helixtrans-103.1129.1175.9-1790000108.1L9 E201 R267V7-L9 HydrophobicContact CG1-CD2 4.12Å; V7-E201 HydrophobicContact CB-CB 4.1Å; V7-E201 HydrophobicContact CG1-CB 4.24Å; V7-E201 WeakPolarHBondContact O-CB 3.47Å; V7-E201 PolarHBondContact O-N 3.06Å; V7-R267 HydrophobicContact CG1-CB 4.35Å
8V96.1Very high82.6Confident31 Ų3181.6 Ų81.619%0.18845%0.451CS..EExtended strand (participates in β ladder)trans-117.2126.7177.8-179.80000108.5T198 E199 R267 Y268V8-T198 HydrophobicContact CG1-CG2 4.09Å; V8-E199 CarbonylContact C-O 3.52Å; V8-R267 CarbonylContact O-C 3.54Å; V8-R267 WeakPolarHBondContact O-CA 3.43Å; V8-Y268 PolarHBondContact N-O 3.45Å; V8-Y268 PolarHBondContact O-N 2.94Å
9L97.3Very high83.1Confident5 Ų582.5 Ų82.53%0.02645%0.447CS..EExtended strand (participates in β ladder)trans-90.3144179-51.1-175000109.7V7 F11 T198 E199 E201 E261 Q264 I266 R267V7-L9 HydrophobicContact CG1-CD2 4.12Å; L9-F11 HydrophobicContact CB-CE2 3.73Å; L9-F11 HydrophobicContact CB-CZ 3.88Å; L9-F11 HydrophobicContact CD1-CZ 4.23Å; L9-T198 CarbonylContact O-C 3.44Å; L9-T198 WeakPolarHBondContact O-CA 3.18Å; L9-E199 PolarHBondContact N-O 2.8Å; L9-E199 PolarHBondContact O-N 2.67Å; L9-E201 HydrophobicContact CD1-CB 4.3Å; L9-E201 HydrophobicContact CD1-CG 4.36Å; L9-E201 HydrophobicContact CD2-CB 4.2Å; L9-E201 HydrophobicContact CD2-CG 4.48Å; L9-E201 HydrophobicContact CG-CB 4.07Å; L9-E261 HydrophobicContact CD1-CB 3.78Å; L9-E261 HydrophobicContact CD1-CG 3.77Å; L9-Q264 HydrophobicContact CB-CB 4.48Å; L9-I266 CarbonylContact C-O 3.59Å; L9-I266 WeakPolarHBondContact CA-O 3.41Å; L9-R267 HydrophobicContact CD2-CB 4.47Å; L9-R267 HydrophobicContact CD2-CG 3.88Å
10G97.3Very high83.7Confident1 Ų178.7 Ų78.71%0.0143%0.427CS..EExtended strand (participates in β ladder)trans-113.6134.517800000112.2V197 M265 I266G10-V197 CarbonylContact C-O 3.48Å; G10-V197 VanDerWaalsContact CA-O 3.25Å; G10-V197 WeakPolarHBondContact CA-O 3.2Å; G10-M265 PolarHBondContact O-N 2.85Å; G10-I266 PolarHBondContact N-O 3.29Å; G10-I266 PolarHBondContact O-N 3.09Å
11F97.3Very high84.1Confident25 Ų2578.8 Ų78.811%0.1142%0.424CS..EExtended strand (participates in β ladder)trans-127.3158.2-179.9-54.5-87000110.7L9 L196 V197 E199 E261 Q264L9-F11 HydrophobicContact CB-CE2 3.73Å; L9-F11 HydrophobicContact CB-CZ 3.88Å; L9-F11 HydrophobicContact CD1-CZ 4.23Å; F11-L196 CarbonylContact O-C 3.59Å; F11-L196 WeakPolarHBondContact O-CA 3.39Å; F11-V197 HydrophobicContact CB-CG2 4Å; F11-V197 PolarHBondContact N-O 3.45Å; F11-V197 PolarHBondContact O-N 2.91Å; F11-E199 HydrophobicContact CD2-CG 4.35Å; F11-E199 HydrophobicContact CE2-CB 4.16Å; F11-E199 HydrophobicContact CE2-CG 4.26Å; F11-E261 HydrophobicContact CE1-CB 4.37Å; F11-E261 HydrophobicContact CZ-CB 4.2Å; F11-E261 HydrophobicContact CZ-CG 4.27Å; F11-Q264 HydrophobicContact CE1-CB 4.11Å; F11-Q264 HydrophobicContact CZ-CB 4.46Å
12L96.9Very high87.2Confident43 Ų4368.2 Ų68.223%0.22538%0.375CS..EExtended strand (participates in β ladder)trans-98.8130.4179.1-59.4179.6000111.1V29 E195 L196 M265 L307 S310L12-V29 HydrophobicContact CD2-CB 3.91Å; L12-V29 HydrophobicContact CD2-CG2 3.48Å; L12-V29 VanDerWaalsContact CD2-CG2 3.48Å; L12-E195 WeakPolarHBondContact CA-O 3.24Å; L12-L196 HydrophobicContact CD2-CD1 3.95Å; L12-M265 HydrophobicContact CD1-CG 4.22Å; L12-M265 HydrophobicContact CG-CG 3.91Å; L12-L307 HydrophobicContact CD1-CD1 3.97Å; L12-S310 VanDerWaalsContact CD1-OG 3.29Å; L12-S310 WeakPolarHBondContact CD1-OG 3.32Å
13E96.2Very high89.7Confident100 Ų10065.2 Ų65.247%0.46735%0.352SS..EExtended strand (participates in β ladder)trans-127.9151.9172.9-69.2-172.1177.200110.8S194 E195 V197E13-S194 WeakPolarHBondContact O-CB 3.45Å; E13-E195 PolarHBondContact N-O 2.96Å; E13-E195 PolarHBondContact O-N 3.37Å; E13-V197 HydrophobicContact CB-CG1 4.28Å; E13-V197 HydrophobicContact CG-CG1 4.21Å; E13-V197 HydrophobicContact CG-CG2 3.72Å
14E94.9Very high91.7Very high191 Ų19162.9 Ų62.989%0.89333%0.33SS*.  trans-68.6136.9168.1-66.9-173.6172.500109.3
15A92.3Very high93.3Very high25 Ų2559.6 Ų59.621%0.20730%0.303CS..  trans-140.1150176.300000110.6L20 E195A15-L20 HydrophobicContact CB-CD1 4.34Å; A15-L20 HydrophobicContact CB-CD2 4.14Å; A15-L20 HydrophobicContact CB-CG 4.25Å; A15-E195 HydrophobicContact CB-CB 3.68Å
16E91.9Very high94.1Very high118 Ų11857.2 Ų57.255%0.55129%0.288SS*.  trans-60.3136.9173.7-65.8-58.4143.700110.6W18 R19E16-W18 HydrophobicContact CB-CG 4.45Å; E16-W18 VanDerWaalsContact CB-NE1 3.34Å; E16-W18 PolarHBondContact O-N 2.93Å; E16-R19 HydrophobicContact CB-CG 4.46Å; E16-R19 WeakPolarHBondContact O-CB 3.43Å; E16-R19 PolarHBondContact O-N 3.02Å
17P90.8Very high94.6Very high86 Ų8651.6 Ų51.656%0.55826%0.264SS*.G310 helixtrans-54.8-32.3-172.8-29.535.2000114.8R19 L20P17-R19 VanDerWaalsContact C-N 3.28Å; P17-R19 PolarHBondContact O-N 2.86Å; P17-L20 PolarHBondContact O-N 3.46Å; P17-L20 VanDerWaalsContact O-N 3.13Å
18W89.8Confident94.8Very high35 Ų3550.2 Ų50.213%0.13326%0.255CS..G310 helixtrans-66.2-28.6179.269.3-96.4000112.6E16 L20 Q24 D117 E119E16-W18 HydrophobicContact CB-CG 4.45Å; E16-W18 VanDerWaalsContact CB-NE1 3.34Å; E16-W18 PolarHBondContact O-N 2.93Å; W18-L20 PolarHBondContact O-N 2.82Å; W18-Q24 HydrophobicContact CE3-CG 4.43Å; W18-Q24 WeakPolarHBondContact O-CG 3.48Å; W18-D117 VanDerWaalsContact CH2-O 3.31Å; W18-D117 WeakPolarHBondContact CH2-O 3.45Å; W18-E119 HydrophobicContact CD2-CG 4.44Å; W18-E119 HydrophobicContact CG-CG 4.22Å; W18-E119 HydrophobicContact CZ2-CB 4.28Å
19R92.1Very high94.9Very high100 Ų10048.8 Ų48.838%0.37725%0.246SC..G310 helixtrans-69.4-20.2175-63.8-173.870.3-130.1-15.4112.2E16 P17 Q24 E195E16-R19 HydrophobicContact CB-CG 4.46Å; E16-R19 WeakPolarHBondContact O-CB 3.43Å; E16-R19 PolarHBondContact O-N 3.02Å; P17-R19 VanDerWaalsContact C-N 3.28Å; P17-R19 PolarHBondContact O-N 2.86Å; R19-Q24 VanDerWaalsContact O-CB 3.23Å; R19-Q24 WeakPolarHBondContact O-CB 3.17Å; R19-E195 IonicContact CZ-OE1 3.33Å; R19-E195 IonicContact CZ-OE2 3.23Å; R19-E195 IonicContact NH1-OE1 2.73Å; R19-E195 IonicContact NH1-OE2 3Å; R19-E195 PolarHBondContact NH1-OE2 2.77Å; R19-E195 IonicContact NH2-OE1 3.31Å; R19-E195 PolarHBondContact NH2-OE1 2.95Å; R19-E195 IonicContact NH2-OE2 2.89Å; R19-E195 PolarHBondContact NH2-OE2 2.71Å
20L94.5Very high94.8Very high6 Ų648.6 Ų48.63%0.03125%0.245CC..G310 helixtrans-100.113.7-175.9-55.3-175.4000113.5A15 P17 W18 P26 K28 E193 E195A15-L20 HydrophobicContact CB-CD1 4.34Å; A15-L20 HydrophobicContact CB-CD2 4.14Å; A15-L20 HydrophobicContact CB-CG 4.25Å; P17-L20 PolarHBondContact O-N 3.46Å; P17-L20 VanDerWaalsContact O-N 3.13Å; W18-L20 PolarHBondContact O-N 2.82Å; L20-P26 HydrophobicContact CD2-CB 4.21Å; L20-K28 HydrophobicContact CB-CD 4.18Å; L20-K28 HydrophobicContact CD2-CB 4.16Å; L20-K28 PolarHBondContact O-NZ 3.44Å; L20-E193 HydrophobicContact CD1-CG 3.64Å; L20-E195 HydrophobicContact CD2-CB 3.99Å; L20-E195 HydrophobicContact CD2-CG 4.36Å
21Q92.6Very high94.7Very high81 Ų8148.9 Ų48.938%0.37925%0.248SC..SBendtrans-91.6157.6176.5-62.8-174.5-14.500112.5P23 Q24 P26Q21-P23 VanDerWaalsContact C-CD 3.4Å; Q21-Q24 WeakPolarHBondContact O-CB 3.26Å; Q21-Q24 PolarHBondContact O-N 2.85Å; Q21-P26 VanDerWaalsContact O-CD 3.28Å; Q21-P26 WeakPolarHBondContact O-CD 3.27Å
22S94.5Very high94.6Very high25 Ų2551.6 Ų51.618%0.17526%0.26CS..G310 helixtrans-49.8-40.5-178-64.90000116Q24 F25 A34 W35 Y110S22-Q24 PolarHBondContact O-N 3.38Å; S22-F25 PolarHBondContact O-N 3.21Å; S22-A34 WeakPolarHBondContact OG-CA 3.33Å; S22-W35 VanDerWaalsContact CB-O 3.25Å; S22-W35 WeakPolarHBondContact CB-O 3.41Å; S22-W35 PolarHBondContact OG-N 3.12Å; S22-W35 VanDerWaalsContact OG-N 3.14Å; S22-W35 PolarHBondContact OG-O 3.32Å; S22-Y110 WeakPolarHBondContact CB-OH 3.28Å; S22-Y110 WeakPolarHBondContact O-CE1 3.46Å; S22-Y110 PolarHBondContact O-OH 2.99Å
23P92.4Very high94.6Very high64 Ų6450 Ų5042%0.41625%0.252SS..G310 helixtrans-62.6-19.3178.2-24.836.8000114.9Q21 F25Q21-P23 VanDerWaalsContact C-CD 3.4Å; P23-F25 WeakPolarHBondContact O-CD2 3.29Å; P23-F25 VanDerWaalsContact O-CE2 3.31Å; P23-F25 WeakPolarHBondContact O-CE2 3.44Å
24Q94.3Very high94.6Very high52 Ų5245.6 Ų45.624%0.24323%0.233CC..G310 helixtrans-94.2-1.3-179.3-58.1-62.1-17.800113W18 R19 Q21 S22 P115W18-Q24 HydrophobicContact CE3-CG 4.43Å; W18-Q24 WeakPolarHBondContact O-CG 3.48Å; R19-Q24 VanDerWaalsContact O-CB 3.23Å; R19-Q24 WeakPolarHBondContact O-CB 3.17Å; Q21-Q24 WeakPolarHBondContact O-CB 3.26Å; Q21-Q24 PolarHBondContact O-N 2.85Å; S22-Q24 PolarHBondContact O-N 3.38Å; Q24-P115 VanDerWaalsContact OE1-CG 3.29Å
25F95.6Very high94.7Very high33 Ų3336.7 Ų36.715%0.14519%0.191CC..  trans48.951.1179.6-51.3-77.7000114.2S22 P23 L36 Y63 H74 Y110S22-F25 PolarHBondContact O-N 3.21Å; P23-F25 WeakPolarHBondContact O-CD2 3.29Å; P23-F25 VanDerWaalsContact O-CE2 3.31Å; P23-F25 WeakPolarHBondContact O-CE2 3.44Å; F25-L36 HydrophobicContact CD1-CD1 3.68Å; F25-L36 HydrophobicContact CE1-CD1 3.69Å; F25-Y63 HydrophobicContact CB-CD1 4.39Å; F25-Y63 HydrophobicContact CB-CD2 3.82Å; F25-Y63 HydrophobicContact CB-CE1 4.4Å; F25-Y63 HydrophobicContact CB-CE2 3.8Å; F25-Y63 HydrophobicContact CB-CG 4.12Å; F25-Y63 HydrophobicContact CD1-CE2 4.06Å; F25-Y63 HydrophobicContact CG-CE2 4.12Å; F25-Y63 VanDerWaalsContact O-CB 3.3Å; F25-Y63 WeakPolarHBondContact O-CB 3.21Å; F25-H74 AromaticContact CD1-ND1 3.64Å; F25-H74 HydrophobicContact CE1-CB 4.32Å; F25-H74 AromaticContact CE1-CE1 3.63Å; F25-H74 AromaticContact CE1-CG 3.72Å; F25-H74 AromaticContact CE1-ND1 3.36Å; F25-H74 WeakPolarHBondContact CE1-ND1 3.22Å; F25-H74 AromaticContact CE2-CE1 3.67Å; F25-H74 AromaticContact CZ-CE1 3.32Å; F25-H74 WeakPolarHBondContact CZ-CE1 3.46Å; F25-H74 AromaticContact CZ-ND1 3.57Å; F25-H74 AromaticContact CZ-NE2 3.84Å; F25-Y110 HydrophobicContact CE1-CD1 4.13Å; F25-Y110 AromaticContact CE1-CD2 3.69Å; F25-Y110 HydrophobicContact CE1-CD2 3.69Å; F25-Y110 HydrophobicContact CE1-CE1 4.1Å; F25-Y110 AromaticContact CE1-CE2 3.67Å; F25-Y110 HydrophobicContact CE1-CE2 3.67Å; F25-Y110 AromaticContact CE1-CG 3.91Å; F25-Y110 HydrophobicContact CE1-CG 3.91Å; F25-Y110 AromaticContact CE1-CZ 3.84Å; F25-Y110 AromaticContact CZ-CD1 3.8Å; F25-Y110 HydrophobicContact CZ-CD1 3.8Å; F25-Y110 AromaticContact CZ-CD2 3.81Å; F25-Y110 HydrophobicContact CZ-CD2 3.81Å; F25-Y110 HydrophobicContact CZ-CE1 4.2Å; F25-Y110 HydrophobicContact CZ-CE2 4.21Å; F25-Y110 AromaticContact CZ-CG 3.56Å; F25-Y110 HydrophobicContact CZ-CG 3.56Å
26P96.8Very high94.9Very high7 Ų735.6 Ų35.65%0.04518%0.182CC..  trans-71.7146.2-168.430.7-37.5000112L20 Q21 K28 A34 Q61L20-P26 HydrophobicContact CD2-CB 4.21Å; Q21-P26 VanDerWaalsContact O-CD 3.28Å; Q21-P26 WeakPolarHBondContact O-CD 3.27Å; P26-K28 HydrophobicContact CB-CB 4.47Å; P26-K28 HydrophobicContact CB-CD 4.15Å; P26-K28 HydrophobicContact CB-CG 4.32Å; P26-K28 HydrophobicContact CG-CD 3.8Å; P26-K28 HydrophobicContact CG-CG 4.34Å; P26-A34 HydrophobicContact CG-CB 3.73Å; P26-Q61 WeakPolarHBondContact O-CG 3.26Å; P26-Q61 PolarHBondContact O-NE2 3.08Å
27S98.4Very high95.1Very high21 Ų2130 Ų3015%0.14716%0.155CC..  trans-90125.8149.6-67.80000107.4Q61 Y63 L196S27-Q61 CarbonylContact C-O 3.08Å; S27-Q61 WeakPolarHBondContact CA-O 3.45Å; S27-Y63 PolarHBondContact OG-N 3.23Å; S27-L196 WeakPolarHBondContact CB-O 3.31Å; S27-L196 PolarHBondContact O-N 2.77Å
28K98.3Very high95.3Very high5 Ų527.1 Ų27.12%0.02214%0.135CC..EExtended strand (participates in β ladder)trans-157.6158-172.259.8-178.2-72.6-166.70112.7L20 P26 K32 A34 L60 Q61 E193 S194L20-K28 HydrophobicContact CB-CD 4.18Å; L20-K28 HydrophobicContact CD2-CB 4.16Å; L20-K28 PolarHBondContact O-NZ 3.44Å; P26-K28 HydrophobicContact CB-CB 4.47Å; P26-K28 HydrophobicContact CB-CD 4.15Å; P26-K28 HydrophobicContact CB-CG 4.32Å; P26-K28 HydrophobicContact CG-CD 3.8Å; P26-K28 HydrophobicContact CG-CG 4.34Å; K28-K32 PolarHBondContact NZ-O 3.4Å; K28-A34 HydrophobicContact CD-CB 4.42Å; K28-L60 CarbonylContact O-C 3.51Å; K28-L60 WeakPolarHBondContact O-CA 3.26Å; K28-L60 WeakPolarHBondContact O-CB 3.35Å; K28-Q61 HydrophobicContact CD-CG 4.31Å; K28-Q61 HydrophobicContact CG-CG 3.57Å; K28-Q61 PolarHBondContact N-O 3.02Å; K28-Q61 PolarHBondContact O-N 2.95Å; K28-E193 VanDerWaalsContact CE-OE1 3.28Å; K28-E193 WeakPolarHBondContact CE-OE1 3.25Å; K28-E193 IonicContact NZ-OE1 2.64Å; K28-E193 PolarHBondContact NZ-OE1 3.12Å; K28-S194 VanDerWaalsContact CA-O 3.27Å; K28-S194 WeakPolarHBondContact CA-O 3.07Å; K28-S194 VanDerWaalsContact CB-O 3.26Å; K28-S194 WeakPolarHBondContact CB-O 3.27Å
29V97.9Very high95.5Very high2 Ų230.3 Ų30.31%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-109.9142.7169.6171.60000109.2L12 L60 E193 S194 L307 L311L12-V29 HydrophobicContact CD2-CB 3.91Å; L12-V29 HydrophobicContact CD2-CG2 3.48Å; L12-V29 VanDerWaalsContact CD2-CG2 3.48Å; V29-L60 HydrophobicContact CB-CB 4.49Å; V29-L60 HydrophobicContact CG2-CB 3.89Å; V29-E193 VanDerWaalsContact O-CA 3.31Å; V29-E193 WeakPolarHBondContact O-CA 3.21Å; V29-S194 PolarHBondContact N-O 3.18Å; V29-S194 PolarHBondContact O-N 2.98Å; V29-L307 HydrophobicContact CB-CD1 4.47Å; V29-L307 HydrophobicContact CG1-CD1 3.89Å; V29-L307 HydrophobicContact CG2-CD1 3.84Å; V29-L311 HydrophobicContact CG1-CD2 4.19Å
30G95.8Very high95.6Very high0 Ų027.7 Ų27.70%015%0.151CC..SBendtrans64.2-166.2171.600000115.4F58 L59 P192G30-F58 VanDerWaalsContact O-CD1 3.28Å; G30-F58 WeakPolarHBondContact O-CD1 3.45Å; G30-F58 WeakPolarHBondContact O-CE1 3.44Å; G30-L59 PolarHBondContact N-O 3.13Å; G30-P192 WeakPolarHBondContact CA-O 3.41Å
31G94.8Very high95.7Very high7 Ų728.2 Ų28.27%0.07215%0.154CC..SBendtrans61.6-147.6-169.100000113.1L190 F191 E193G31-L190 VanDerWaalsContact O-CD2 3.32Å; G31-L190 WeakPolarHBondContact O-CD2 3.35Å; G31-F191 PolarHBondContact N-O 2.86Å; G31-E193 WeakPolarHBondContact CA-OE1 3.45Å
32K96Very high95.8Very high83 Ų8324.6 Ų24.636%0.36114%0.137SC..SBendtrans-96.4149.5177-69.7177.1179.5169.70110.5K28 A34 W140 L190K28-K32 PolarHBondContact NZ-O 3.4Å; K32-A34 PolarHBondContact O-N 3.32Å; K32-W140 WeakPolarHBondContact CE-O 3.42Å; K32-W140 PolarHBondContact NZ-O 2.77Å; K32-L190 HydrophobicContact CG-CD1 3.8Å
33P97Very high95.6Very high10 Ų1028.5 Ų28.57%0.06516%0.155CC..  trans-57.9128.8172.9-16.225.7000110.6W35 F58 F78 F80 C142P33-W35 VanDerWaalsContact C-N 3.29Å; P33-W35 HydrophobicContact CB-CD2 3.89Å; P33-W35 HydrophobicContact CB-CE3 4.24Å; P33-W35 HydrophobicContact CB-CG 4.38Å; P33-W35 HydrophobicContact CB-CH2 4.29Å; P33-W35 HydrophobicContact CB-CZ2 3.89Å; P33-W35 HydrophobicContact CB-CZ3 4.44Å; P33-W35 HydrophobicContact CG-CH2 4.33Å; P33-W35 HydrophobicContact CG-CZ2 3.77Å; P33-W35 PolarHBondContact O-N 3.3Å; P33-W35 VanDerWaalsContact O-N 3.14Å; P33-F58 HydrophobicContact CB-CD2 3.93Å; P33-F58 HydrophobicContact CB-CE2 4.1Å; P33-F58 HydrophobicContact CB-CG 4.29Å; P33-F58 HydrophobicContact CG-CB 3.84Å; P33-F58 HydrophobicContact CG-CD2 3.68Å; P33-F58 HydrophobicContact CG-CE2 4.36Å; P33-F58 HydrophobicContact CG-CG 3.75Å; P33-F78 HydrophobicContact CB-CD1 4.26Å; P33-F78 HydrophobicContact CB-CE1 4.44Å; P33-F80 HydrophobicContact CG-CE1 3.98Å; P33-F80 HydrophobicContact CG-CZ 3.92Å; P33-C142 WeakPolarHBondContact CD-O 3.44Å
34A96.8Very high95.4Very high7 Ų727.4 Ų27.46%0.05815%0.145CC..  trans-83.780.4165.400000108S22 P26 K28 K32 L36 Q61 F78S22-A34 WeakPolarHBondContact OG-CA 3.33Å; P26-A34 HydrophobicContact CG-CB 3.73Å; K28-A34 HydrophobicContact CD-CB 4.42Å; K32-A34 PolarHBondContact O-N 3.32Å; A34-L36 PolarHBondContact O-N 3.44Å; A34-Q61 PolarHBondContact O-NE2 2.85Å; A34-F78 WeakPolarHBondContact O-CE1 3.44Å
35W97.3Very high95.3Very high3 Ų328.4 Ų28.41%0.01116%0.157CC..  trans-54.4128.7-177.6-66.6117.8000111.5S22 P33 L41 P42 F78 F80 Y110 G143 Y340S22-W35 VanDerWaalsContact CB-O 3.25Å; S22-W35 WeakPolarHBondContact CB-O 3.41Å; S22-W35 PolarHBondContact OG-N 3.12Å; S22-W35 VanDerWaalsContact OG-N 3.14Å; S22-W35 PolarHBondContact OG-O 3.32Å; P33-W35 VanDerWaalsContact C-N 3.29Å; P33-W35 HydrophobicContact CB-CD2 3.89Å; P33-W35 HydrophobicContact CB-CE3 4.24Å; P33-W35 HydrophobicContact CB-CG 4.38Å; P33-W35 HydrophobicContact CB-CH2 4.29Å; P33-W35 HydrophobicContact CB-CZ2 3.89Å; P33-W35 HydrophobicContact CB-CZ3 4.44Å; P33-W35 HydrophobicContact CG-CH2 4.33Å; P33-W35 HydrophobicContact CG-CZ2 3.77Å; P33-W35 PolarHBondContact O-N 3.3Å; P33-W35 VanDerWaalsContact O-N 3.14Å; W35-L41 HydrophobicContact CB-CD2 4.4Å; W35-L41 HydrophobicContact CD2-CD2 3.79Å; W35-L41 HydrophobicContact CD2-CG 4.25Å; W35-L41 HydrophobicContact CG-CD2 3.7Å; W35-L41 HydrophobicContact CG-CG 4.36Å; W35-L41 HydrophobicContact CZ2-CD2 4.47Å; W35-P42 HydrophobicContact CH2-CG 4.13Å; W35-P42 HydrophobicContact CZ3-CG 4.23Å; W35-F78 HydrophobicContact CE3-CD1 4.33Å; W35-F78 HydrophobicContact CE3-CE1 4.16Å; W35-F78 HydrophobicContact CE3-CZ 4.38Å; W35-F78 HydrophobicContact CZ3-CD1 4.31Å; W35-F78 HydrophobicContact CZ3-CG 4.4Å; W35-F80 HydrophobicContact CH2-CE2 4.19Å; W35-F80 AromaticContact CH2-CZ 3.56Å; W35-F80 HydrophobicContact CH2-CZ 3.56Å; W35-F80 HydrophobicContact CZ2-CZ 4.17Å; W35-F80 HydrophobicContact CZ3-CZ 4.27Å; W35-Y110 PolarHBondContact O-OH 3.48Å; W35-G143 PolarHBondContact NE1-O 2.93Å; W35-Y340 WeakPolarHBondContact CB-OH 3.49Å; W35-Y340 HydrophobicContact CE3-CD1 4.22Å; W35-Y340 AromaticContact CE3-CE1 3.34Å; W35-Y340 HydrophobicContact CE3-CE1 3.34Å; W35-Y340 HydrophobicContact CE3-CE2 4.47Å; W35-Y340 AromaticContact CE3-CZ 3.51Å; W35-Y340 AromaticContact CZ3-CD1 3.94Å; W35-Y340 HydrophobicContact CZ3-CD1 3.94Å; W35-Y340 AromaticContact CZ3-CE1 3.52Å; W35-Y340 HydrophobicContact CZ3-CE1 3.52Å
36L96.3Very high95.2Very high2 Ų230 Ų301%0.0117%0.167CC..SBendtrans-78.4-66.4-178.7178.568.2000110.8F25 A34 H74 F78 L103 Y110 Y340F25-L36 HydrophobicContact CD1-CD1 3.68Å; F25-L36 HydrophobicContact CE1-CD1 3.69Å; A34-L36 PolarHBondContact O-N 3.44Å; L36-H74 HydrophobicContact CD1-CB 3.86Å; L36-H74 HydrophobicContact CD2-CB 4.14Å; L36-F78 HydrophobicContact CB-CE2 4.48Å; L36-F78 HydrophobicContact CB-CZ 4.19Å; L36-L103 HydrophobicContact CD1-CD1 4.01Å; L36-L103 HydrophobicContact CD2-CD1 4.4Å; L36-L103 HydrophobicContact CD2-CG 4.26Å; L36-L103 HydrophobicContact CG-CD1 3.75Å; L36-L103 HydrophobicContact CG-CG 4.12Å; L36-Y110 WeakPolarHBondContact CA-OH 3.24Å; L36-Y110 HydrophobicContact CD1-CE2 3.8Å; L36-Y110 WeakPolarHBondContact O-CE2 3.48Å; L36-Y110 PolarHBondContact O-OH 2.89Å; L36-Y340 PolarHBondContact N-OH 3.29Å
37S95.4Very high95.2Very high0 Ų030 Ų300%017%0.167CC..  trans-78.8132.1169.2170.10000109.4R39 D338 Y340S37-R39 PolarHBondContact O-N 2.81Å; S37-R39 PolarHBondContact OG-N 3.38Å; S37-R39 VanDerWaalsContact OG-N 3.08Å; S37-R39 PolarHBondContact OG-O 2.98Å; S37-D338 WeakPolarHBondContact CB-O 3.13Å; S37-D338 WeakPolarHBondContact OG-CB 3.46Å; S37-D338 PolarHBondContact OG-O 2.96Å; S37-Y340 PolarHBondContact N-OH 3.36Å; S37-Y340 VanDerWaalsContact N-OH 3.12Å; S37-Y340 WeakPolarHBondContact O-CE2 3.37Å; S37-Y340 PolarHBondContact O-OH 3.38Å
38Q95.1Very high95.1Very high27 Ų2732.2 Ų32.213%0.12618%0.175CC..SBendtrans-80.8-2172.3-60.9-170.325.400112.7L41 F109 L131 V133 S134Q38-L41 WeakPolarHBondContact O-CD1 3.25Å; Q38-F109 HydrophobicContact CB-CD1 3.71Å; Q38-F109 HydrophobicContact CB-CE1 3.84Å; Q38-F109 HydrophobicContact CG-CD1 3.91Å; Q38-L131 HydrophobicContact CB-CB 4.21Å; Q38-L131 HydrophobicContact CB-CD1 4.15Å; Q38-L131 HydrophobicContact CG-CB 4.35Å; Q38-L131 HydrophobicContact CG-CD1 4.45Å; Q38-L131 HydrophobicContact CG-CD2 4.36Å; Q38-V133 HydrophobicContact CB-CB 4.31Å; Q38-S134 WeakPolarHBondContact O-CB 3.23Å; Q38-S134 PolarHBondContact O-OG 3.24Å
39R94.1Very high95Very high102 Ų10232 Ų3239%0.38517%0.174SC..SBendtrans-116.5161.8177.5-66179.9-178.8-178.59.3110.6S37 L41 E108 F109 D338S37-R39 PolarHBondContact O-N 2.81Å; S37-R39 PolarHBondContact OG-N 3.38Å; S37-R39 VanDerWaalsContact OG-N 3.08Å; S37-R39 PolarHBondContact OG-O 2.98Å; R39-L41 PolarHBondContact O-N 3.17Å; R39-L41 VanDerWaalsContact O-N 3.07Å; R39-E108 VanDerWaalsContact CZ-CD 3.49Å; R39-E108 IonicContact CZ-OE1 2.72Å; R39-E108 IonicContact CZ-OE2 2.92Å; R39-E108 IonicContact NE-OE1 3.22Å; R39-E108 PolarHBondContact NE-OE1 2.91Å; R39-E108 IonicContact NH1-OE1 2.8Å; R39-E108 PolarHBondContact NH1-OE1 3.16Å; R39-E108 IonicContact NH1-OE2 3.8Å; R39-E108 VanDerWaalsContact NH2-CD 3.33Å; R39-E108 IonicContact NH2-OE1 3.69Å; R39-E108 PolarHBondContact NH2-OE1 3.24Å; R39-E108 IonicContact NH2-OE2 3.63Å; R39-E108 PolarHBondContact NH2-OE2 2.77Å; R39-F109 HydrophobicContact CB-CZ 4.32Å; R39-F109 HydrophobicContact CG-CE1 4.01Å; R39-F109 HydrophobicContact CG-CZ 4.05Å; R39-D338 HydrophobicContact CB-CB 3.94Å
40G93.9Very high95Very high45 Ų4537.7 Ų37.746%0.46420%0.2SC..SBendtrans59.924174.400000114.8Y340G40-Y340 VanDerWaalsContact O-CD2 3.29Å; G40-Y340 WeakPolarHBondContact O-CD2 3.5Å; G40-Y340 PolarHBondContact O-N 3.11Å
41L95.8Very high95Very high17 Ų1740.3 Ų40.39%0.08921%0.212CC..PPolyproline II helixtrans-56.1146.6177.6-7777.8000110.2W35 Q38 R39 L43 L131 L138 P145 Y340W35-L41 HydrophobicContact CB-CD2 4.4Å; W35-L41 HydrophobicContact CD2-CD2 3.79Å; W35-L41 HydrophobicContact CD2-CG 4.25Å; W35-L41 HydrophobicContact CG-CD2 3.7Å; W35-L41 HydrophobicContact CG-CG 4.36Å; W35-L41 HydrophobicContact CZ2-CD2 4.47Å; Q38-L41 WeakPolarHBondContact O-CD1 3.25Å; R39-L41 PolarHBondContact O-N 3.17Å; R39-L41 VanDerWaalsContact O-N 3.07Å; L41-L43 PolarHBondContact O-N 3.5Å; L41-L131 HydrophobicContact CD1-CD1 3.85Å; L41-L131 HydrophobicContact CD2-CD1 3.71Å; L41-L131 HydrophobicContact CG-CD1 4.45Å; L41-L138 HydrophobicContact CD2-CD2 4.36Å; L41-P145 HydrophobicContact CB-CG 3.47Å; L41-P145 VanDerWaalsContact CB-CG 3.47Å; L41-P145 HydrophobicContact CD2-CG 3.72Å; L41-P145 HydrophobicContact CG-CG 4.24Å; L41-Y340 HydrophobicContact CG-CE2 4.21Å
42P95.4Very high95.1Very high4 Ų442.3 Ų42.33%0.02622%0.224CC..PPolyproline II helixtrans-55.7133.9176.7-22.432.9000111.1W35 D46 L47 F99 Y340W35-P42 HydrophobicContact CH2-CG 4.13Å; W35-P42 HydrophobicContact CZ3-CG 4.23Å; P42-D46 HydrophobicContact CB-CB 4.1Å; P42-L47 HydrophobicContact CB-CD1 3.9Å; P42-L47 HydrophobicContact CB-CD2 4.33Å; P42-L47 HydrophobicContact CB-CG 3.88Å; P42-F99 HydrophobicContact CB-CD1 4.35Å; P42-F99 HydrophobicContact CB-CE1 3.97Å; P42-F99 HydrophobicContact CB-CE2 4.41Å; P42-F99 HydrophobicContact CB-CZ 4.01Å; P42-F99 HydrophobicContact CG-CD1 3.83Å; P42-F99 HydrophobicContact CG-CD2 4.24Å; P42-F99 HydrophobicContact CG-CE1 3.97Å; P42-F99 HydrophobicContact CG-CE2 4.38Å; P42-F99 HydrophobicContact CG-CG 3.96Å; P42-F99 HydrophobicContact CG-CZ 4.25Å; P42-Y340 HydrophobicContact CG-CD1 4.3Å; P42-Y340 HydrophobicContact CG-CG 4.09Å
43L90.5Very high95.1Very high108 Ų10840.3 Ų40.357%0.56523%0.227SC*.PPolyproline II helixtrans-71.9166.3177.7-61.3178.2000110.1L41 S45 D46 L47L41-L43 PolarHBondContact O-N 3.5Å; L43-S45 VanDerWaalsContact C-N 3.26Å; L43-S45 PolarHBondContact O-N 3.4Å; L43-D46 WeakPolarHBondContact CB-OD2 3.47Å; L43-D46 PolarHBondContact N-OD2 2.91Å; L43-D46 WeakPolarHBondContact O-CB 3.28Å; L43-D46 PolarHBondContact O-N 3.21Å; L43-L47 PolarHBondContact O-N 3.48Å
44Q88.3Confident95Very high41 Ų4142.6 Ų42.619%0.19224%0.238CC..G310 helixtrans-55.7-42.6176.2170.6157.663.800112.1D46 L47 E48 C159Q44-D46 PolarHBondContact O-N 3.18Å; Q44-L47 CarbonylContact O-C 3.51Å; Q44-L47 PolarHBondContact O-N 2.92Å; Q44-E48 HydrophobicContact CG-CG 4.49Å; Q44-E48 WeakPolarHBondContact O-CG 3.35Å; Q44-E48 PolarHBondContact O-N 3.15Å; Q44-C159 PolarHBondContact NE2-O 2.91Å; Q44-C159 VanDerWaalsContact NE2-O 3.17Å; Q44-C159 PolarHBondContact NE2-SG 2.88Å; Q44-C159 VanDerWaalsContact NE2-SG 3.37Å; Q44-C159 PolarHBondContact OE1-O 2.78Å
45S91.5Very high95Very high72 Ų7243 Ų4350%0.50324%0.24SC..G310 helixtrans-59.6-32.5176.8510000112.8L43 L47L43-S45 VanDerWaalsContact C-N 3.26Å; L43-S45 PolarHBondContact O-N 3.4Å; S45-L47 VanDerWaalsContact C-N 3.26Å; S45-L47 PolarHBondContact O-N 2.86Å
46D94.4Very high94.9Very high67 Ų6742.9 Ų42.936%0.35824%0.24SC..G310 helixtrans-75-21.4178.1-53.3-38.3000111.3P42 L43 Q44 K97 F99P42-D46 HydrophobicContact CB-CB 4.1Å; L43-D46 WeakPolarHBondContact CB-OD2 3.47Å; L43-D46 PolarHBondContact N-OD2 2.91Å; L43-D46 WeakPolarHBondContact O-CB 3.28Å; L43-D46 PolarHBondContact O-N 3.21Å; Q44-D46 PolarHBondContact O-N 3.18Å; D46-K97 WeakPolarHBondContact O-CD 3.25Å; D46-K97 WeakPolarHBondContact O-CE 3.35Å; D46-K97 PolarHBondContact O-NZ 2.85Å; D46-F99 HydrophobicContact CB-CE1 4.38Å; D46-F99 HydrophobicContact CB-CZ 4.07Å
47L95.6Very high94.9Very high7 Ų742.8 Ų42.84%0.03724%0.239CC..G310 helixtrans-109.222.5-177.3-68.6168.6000113.2P42 L43 Q44 S45 M56 F80 F99 C144P42-L47 HydrophobicContact CB-CD1 3.9Å; P42-L47 HydrophobicContact CB-CD2 4.33Å; P42-L47 HydrophobicContact CB-CG 3.88Å; L43-L47 PolarHBondContact O-N 3.48Å; Q44-L47 CarbonylContact O-C 3.51Å; Q44-L47 PolarHBondContact O-N 2.92Å; S45-L47 VanDerWaalsContact C-N 3.26Å; S45-L47 PolarHBondContact O-N 2.86Å; L47-M56 WeakPolarHBondContact O-CB 3.44Å; L47-M56 WeakPolarHBondContact O-CG 3.37Å; L47-M56 PolarHBondContact O-N 2.67Å; L47-F80 HydrophobicContact CD2-CD1 3.86Å; L47-F80 HydrophobicContact CD2-CD2 3.81Å; L47-F80 HydrophobicContact CD2-CE1 3.97Å; L47-F80 HydrophobicContact CD2-CE2 3.9Å; L47-F80 HydrophobicContact CD2-CG 3.8Å; L47-F80 HydrophobicContact CD2-CZ 4Å; L47-F99 HydrophobicContact CD2-CD2 4.3Å; L47-F99 HydrophobicContact CD2-CE2 3.59Å; L47-F99 HydrophobicContact CD2-CZ 4.25Å; L47-F99 HydrophobicContact CG-CE2 4.49Å; L47-C144 HydrophobicContact CD1-CB 3.92Å
48E96.6Very high95Very high67 Ų6742.8 Ų42.831%0.31324%0.239SC..BIsolated β-bridgetrans-94.2140.7170.3-77.2167.9-173.800111Q44 E50 K97Q44-E48 HydrophobicContact CG-CG 4.49Å; Q44-E48 WeakPolarHBondContact O-CG 3.35Å; Q44-E48 PolarHBondContact O-N 3.15Å; E48-E50 PolarHBondContact O-N 3.11Å; E48-K97 VanDerWaalsContact O-CE 3.24Å; E48-K97 WeakPolarHBondContact O-CE 3.26Å; E48-K97 PolarHBondContact O-NZ 2.71Å
49C97.4Very high95.2Very high2 Ų241.6 Ų41.61%0.01423%0.234CC..  trans-64.9132.4173.6175.50000109.9K51 G53 L54 M56 C82C49-K51 PolarHBondContact O-N 3.18Å; C49-K51 PolarHBondContact SG-N 3.08Å; C49-G53 VanDerWaalsContact O-CA 3.23Å; C49-G53 WeakPolarHBondContact O-CA 3.39Å; C49-G53 PolarHBondContact O-N 3.36Å; C49-L54 PolarHBondContact N-O 3.34Å; C49-M56 HydrophobicContact CB-CG 4.1Å; C49-C82 HydrophobicContact CB-CB 4.04Å; C49-C82 VanDerWaalsContact SG-SG 3.62Å
50E97.2Very high95.4Very high120 Ų12036.7 Ų36.756%0.56122%0.215SC*.THydrogen-bonded Turntrans-71-12.8-177.3-63.9177.6-156.600113.4E48 R94E48-E50 PolarHBondContact O-N 3.11Å; E50-R94 HydrophobicContact CB-CB 4.07Å; E50-R94 PolarHBondContact N-O 3.18Å
51K96.8Very high95.6Very high56 Ų5634.6 Ų34.624%0.24319%0.194CC..THydrogen-bonded Turntrans-93-53.1178.4-65.7-175.5175.4-168.90113.1C49 C87 S89 D92 R94C49-K51 PolarHBondContact O-N 3.18Å; C49-K51 PolarHBondContact SG-N 3.08Å; K51-C87 HydrophobicContact CB-CB 4.23Å; K51-C87 HydrophobicContact CD-CB 3.94Å; K51-C87 WeakPolarHBondContact CD-O 3.49Å; K51-C87 WeakPolarHBondContact CE-O 3.46Å; K51-C87 PolarHBondContact NZ-O 3.47Å; K51-S89 PolarHBondContact NZ-OG 2.82Å; K51-D92 WeakPolarHBondContact CE-OD2 3.46Å; K51-D92 IonicContact NZ-OD1 3.34Å; K51-D92 IonicContact NZ-OD2 2.63Å; K51-D92 PolarHBondContact NZ-OD2 3.04Å; K51-R94 HydrophobicContact CG-CB 4.19Å
52C96.3Very high95.7Very high49 Ų4934.2 Ų34.233%0.33119%0.192SC..THydrogen-bonded Turntrans-104-10.1-174.667.90000114.3L54 C87C52-L54 HydrophobicContact CB-CG 4.4Å; C52-L54 PolarHBondContact O-N 3.41Å; C52-L54 VanDerWaalsContact O-N 3.17Å; C52-C87 VanDerWaalsContact SG-SG 3.66Å
53G96.3Very high95.9Very high40 Ų4036.9 Ų36.941%0.41220%0.202SC..  trans67.66.9-176.400000114.6C49C49-G53 VanDerWaalsContact O-CA 3.23Å; C49-G53 WeakPolarHBondContact O-CA 3.39Å; C49-G53 PolarHBondContact O-N 3.36Å
54L95.3Very high96.1Very high59 Ų5932 Ų3231%0.30918%0.176SC..PPolyproline II helixtrans-81.2151.8176.5-62.4178.6000110.8C49 C52 M56C49-L54 PolarHBondContact N-O 3.34Å; C52-L54 HydrophobicContact CB-CG 4.4Å; C52-L54 PolarHBondContact O-N 3.41Å; C52-L54 VanDerWaalsContact O-N 3.17Å; L54-M56 PolarHBondContact O-N 3.48Å
55P95.6Very high96.5Very high14 Ų1432.9 Ų32.99%0.09119%0.186CC..BIsolated β-bridgetrans-56135.2174.3-23.833.8000111.8H162P55-H162 HydrophobicContact CG-CB 4.23Å
56M95.9Very high96.6Very high1 Ų130.6 Ų30.61%0.00517%0.168CC..PPolyproline II helixtrans-79.2153.7175.5-60.1-179.772.800110.7L47 C49 L54 F80 C81 C95 K97L47-M56 WeakPolarHBondContact O-CB 3.44Å; L47-M56 WeakPolarHBondContact O-CG 3.37Å; L47-M56 PolarHBondContact O-N 2.67Å; C49-M56 HydrophobicContact CB-CG 4.1Å; L54-M56 PolarHBondContact O-N 3.48Å; M56-F80 HydrophobicContact CB-CB 4.04Å; M56-F80 HydrophobicContact CE-CB 4.21Å; M56-F80 WeakPolarHBondContact CE-O 3.36Å; M56-C81 WeakPolarHBondContact CA-O 3.47Å; M56-C81 WeakPolarHBondContact CB-O 3.35Å; M56-C95 WeakPolarHBondContact CE-O 3.5Å; M56-K97 HydrophobicContact CE-CB 4.14Å; M56-K97 HydrophobicContact CE-CG 4.02Å; M56-K97 HydrophobicContact SD-CB 4.06Å; M56-K97 HydrophobicContact SD-CD 3.62Å; M56-K97 HydrophobicContact SD-CG 3.63Å
57V95.8Very high96.4Very high0 Ų033.4 Ų33.40%019%0.193CC..EExtended strand (participates in β ladder)trans-97.4146.4174.666.10000109.7L59 F80 C81 K83 F189 L190 F191V57-L59 PolarHBondContact O-N 3.36Å; V57-F80 CarbonylContact O-C 3.57Å; V57-F80 WeakPolarHBondContact O-CA 3.36Å; V57-F80 WeakPolarHBondContact O-CB 3.42Å; V57-C81 WeakPolarHBondContact CG1-O 3.21Å; V57-C81 PolarHBondContact N-O 3.43Å; V57-C81 PolarHBondContact O-N 2.87Å; V57-K83 HydrophobicContact CB-CD 4.05Å; V57-K83 HydrophobicContact CB-CG 3.94Å; V57-K83 HydrophobicContact CG1-CD 3.87Å; V57-K83 HydrophobicContact CG1-CG 3.38Å; V57-K83 HydrophobicContact CG2-CD 4.27Å; V57-F189 HydrophobicContact CB-CD1 4.26Å; V57-F189 HydrophobicContact CB-CE1 3.54Å; V57-F189 HydrophobicContact CB-CZ 3.8Å; V57-F189 HydrophobicContact CG2-CD1 3.98Å; V57-F189 HydrophobicContact CG2-CE1 3.73Å; V57-F189 HydrophobicContact CG2-CZ 4.41Å; V57-F189 WeakPolarHBondContact CG2-O 3.12Å; V57-L190 HydrophobicContact CG2-CD2 4.41Å; V57-F191 HydrophobicContact CB-CE2 4.42Å; V57-F191 HydrophobicContact CG1-CD2 4.18Å; V57-F191 HydrophobicContact CG1-CE2 3.35Å; V57-F191 HydrophobicContact CG1-CZ 3.69Å; V57-F191 HydrophobicContact CG2-CD2 4.24Å; V57-F191 HydrophobicContact CG2-CE2 4.22Å
58F97.9Very high96Very high1 Ų137.3 Ų37.30%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-65.2124169.8177.8-110.9000109.6G30 P33 L60 Q61 F78 F80 F191G30-F58 VanDerWaalsContact O-CD1 3.28Å; G30-F58 WeakPolarHBondContact O-CD1 3.45Å; G30-F58 WeakPolarHBondContact O-CE1 3.44Å; P33-F58 HydrophobicContact CB-CD2 3.93Å; P33-F58 HydrophobicContact CB-CE2 4.1Å; P33-F58 HydrophobicContact CB-CG 4.29Å; P33-F58 HydrophobicContact CG-CB 3.84Å; P33-F58 HydrophobicContact CG-CD2 3.68Å; P33-F58 HydrophobicContact CG-CE2 4.36Å; P33-F58 HydrophobicContact CG-CG 3.75Å; F58-L60 WeakPolarHBondContact CE2-O 3.25Å; F58-Q61 HydrophobicContact CE2-CB 3.94Å; F58-Q61 HydrophobicContact CE2-CG 4.46Å; F58-Q61 HydrophobicContact CZ-CB 3.72Å; F58-Q61 HydrophobicContact CZ-CG 3.79Å; F58-F78 AromaticContact CE2-CD1 4Å; F58-F78 HydrophobicContact CE2-CD1 4Å; F58-F80 HydrophobicContact CB-CD1 4.16Å; F58-F80 HydrophobicContact CB-CE1 3.86Å; F58-F80 HydrophobicContact CD2-CE1 4.01Å; F58-F80 HydrophobicContact CD2-CE2 4.47Å; F58-F80 AromaticContact CD2-CZ 3.95Å; F58-F80 HydrophobicContact CD2-CZ 3.95Å; F58-F80 HydrophobicContact CG-CE1 4.44Å; F58-F191 WeakPolarHBondContact O-CD2 3.13Å
59L98Very high95.6Very high1 Ų137 Ų371%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-95.2-56177.8177.758.1000110.3G30 V57 L79 C81 F96 F191 L307 L311 W322G30-L59 PolarHBondContact N-O 3.13Å; V57-L59 PolarHBondContact O-N 3.36Å; L59-L79 WeakPolarHBondContact CB-O 3.35Å; L59-L79 HydrophobicContact CD2-CD2 3.83Å; L59-L79 HydrophobicContact CD2-CG 4.18Å; L59-L79 PolarHBondContact N-O 2.86Å; L59-C81 HydrophobicContact CD2-CB 4.36Å; L59-F96 HydrophobicContact CD2-CE1 3.98Å; L59-F191 HydrophobicContact CD1-CD2 4.09Å; L59-F191 HydrophobicContact CD1-CE2 3.84Å; L59-L307 HydrophobicContact CD1-CD2 4.17Å; L59-L307 HydrophobicContact CG-CD2 4.44Å; L59-L311 HydrophobicContact CD1-CD1 3.83Å; L59-L311 HydrophobicContact CD1-CD2 3.72Å; L59-L311 HydrophobicContact CD1-CG 4.45Å; L59-W322 HydrophobicContact CD1-CH2 4.38Å; L59-W322 HydrophobicContact CD2-CH2 4.08Å
60L98.6Very high95.2Very high0 Ų043.3 Ų43.30%027%0.267CS..EExtended strand (participates in β ladder)trans-161.5165.4-178.164.184.3000112.1K28 V29 F58 V62 L79 I266 F301 V303 L307K28-L60 CarbonylContact O-C 3.51Å; K28-L60 WeakPolarHBondContact O-CA 3.26Å; K28-L60 WeakPolarHBondContact O-CB 3.35Å; V29-L60 HydrophobicContact CB-CB 4.49Å; V29-L60 HydrophobicContact CG2-CB 3.89Å; F58-L60 WeakPolarHBondContact CE2-O 3.25Å; L60-V62 HydrophobicContact CD1-CG2 3.91Å; L60-L79 HydrophobicContact CD1-CB 4.02Å; L60-L79 HydrophobicContact CD1-CD2 4.44Å; L60-L79 HydrophobicContact CD2-CD2 4.28Å; L60-L79 HydrophobicContact CG-CB 4.06Å; L60-L79 HydrophobicContact CG-CD2 4.21Å; L60-L79 PolarHBondContact N-O 2.84Å; L60-L79 PolarHBondContact O-N 3.04Å; L60-I266 HydrophobicContact CD1-CD1 3.99Å; L60-I266 HydrophobicContact CD2-CD1 3.76Å; L60-I266 HydrophobicContact CG-CD1 4.49Å; L60-F301 HydrophobicContact CD1-CE2 4.07Å; L60-F301 HydrophobicContact CD1-CZ 4.09Å; L60-V303 HydrophobicContact CD2-CG1 4.18Å; L60-V303 HydrophobicContact CD2-CG2 3.84Å; L60-L307 HydrophobicContact CD2-CD2 3.77Å
61Q98.5Very high94.8Very high1 Ų145.2 Ų45.21%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-135.3150165.366.7-175.673.200111.7P26 S27 K28 A34 F58 T76 L77 F78P26-Q61 WeakPolarHBondContact O-CG 3.26Å; P26-Q61 PolarHBondContact O-NE2 3.08Å; S27-Q61 CarbonylContact C-O 3.08Å; S27-Q61 WeakPolarHBondContact CA-O 3.45Å; K28-Q61 HydrophobicContact CD-CG 4.31Å; K28-Q61 HydrophobicContact CG-CG 3.57Å; K28-Q61 PolarHBondContact N-O 3.02Å; K28-Q61 PolarHBondContact O-N 2.95Å; A34-Q61 PolarHBondContact O-NE2 2.85Å; F58-Q61 HydrophobicContact CE2-CB 3.94Å; F58-Q61 HydrophobicContact CE2-CG 4.46Å; F58-Q61 HydrophobicContact CZ-CB 3.72Å; F58-Q61 HydrophobicContact CZ-CG 3.79Å; Q61-T76 HydrophobicContact CB-CG2 3.96Å; Q61-T76 HydrophobicContact CG-CG2 4.39Å; Q61-L77 CarbonylContact C-O 3.55Å; Q61-L77 WeakPolarHBondContact CA-O 3.22Å; Q61-L77 VanDerWaalsContact CB-O 3.29Å; Q61-L77 WeakPolarHBondContact CB-O 3.38Å; Q61-F78 HydrophobicContact CB-CD1 3.87Å; Q61-F78 HydrophobicContact CB-CE1 4.16Å; Q61-F78 HydrophobicContact CB-CG 4.42Å
62V98.6Very high94.6Very high8 Ų842.5 Ų42.55%0.04826%0.257CS..EExtended strand (participates in β ladder)trans-125.9122.4177.3-176.30000108.8L60 A64 T76 L77 L196 I266 Y268 F301L60-V62 HydrophobicContact CD1-CG2 3.91Å; V62-A64 HydrophobicContact CG1-CB 4.37Å; V62-A64 PolarHBondContact O-N 2.93Å; V62-T76 WeakPolarHBondContact O-CA 3.18Å; V62-L77 PolarHBondContact N-O 2.89Å; V62-L77 PolarHBondContact O-N 3.04Å; V62-L196 HydrophobicContact CG2-CD2 4.18Å; V62-I266 HydrophobicContact CG2-CD1 3.94Å; V62-Y268 HydrophobicContact CG1-CD2 4.17Å; V62-Y268 HydrophobicContact CG1-CE2 4.43Å; V62-F301 HydrophobicContact CG2-CE1 4.27Å; V62-F301 HydrophobicContact CG2-CE2 4.35Å; V62-F301 HydrophobicContact CG2-CZ 4.15Å
63Y98.1Very high94.6Very high61 Ų6143.9 Ų43.924%0.23926%0.257CS..EExtended strand (participates in β ladder)trans-79.1114168.7-175.1-113.1000109.4F25 S27 P65 F73 H74 R75F25-Y63 HydrophobicContact CB-CD1 4.39Å; F25-Y63 HydrophobicContact CB-CD2 3.82Å; F25-Y63 HydrophobicContact CB-CE1 4.4Å; F25-Y63 HydrophobicContact CB-CE2 3.8Å; F25-Y63 HydrophobicContact CB-CG 4.12Å; F25-Y63 HydrophobicContact CD1-CE2 4.06Å; F25-Y63 HydrophobicContact CG-CE2 4.12Å; F25-Y63 VanDerWaalsContact O-CB 3.3Å; F25-Y63 WeakPolarHBondContact O-CB 3.21Å; S27-Y63 PolarHBondContact OG-N 3.23Å; Y63-P65 HydrophobicContact CD1-CG 4.38Å; Y63-P65 HydrophobicContact CE1-CB 4.45Å; Y63-P65 HydrophobicContact CE1-CG 3.9Å; Y63-F73 PolarHBondContact OH-O 3.31Å; Y63-H74 HydrophobicContact CE2-CB 4.03Å; Y63-H74 AromaticContact CE2-ND1 3.91Å; Y63-H74 AromaticContact CZ-ND1 3.78Å; Y63-H74 PolarHBondContact OH-ND1 2.8Å; Y63-R75 WeakPolarHBondContact CD2-O 3.17Å
64A96.6Very high94.5Very high4 Ų442.1 Ų42.13%0.03324%0.239CC..  trans-137.967.2-167.400000110.8V62 R75 L77 Y268V62-A64 HydrophobicContact CG1-CB 4.37Å; V62-A64 PolarHBondContact O-N 2.93Å; A64-R75 CarbonylContact C-O 3.6Å; A64-R75 PolarHBondContact N-O 2.7Å; A64-R75 WeakPolarHBondContact O-CB 3.45Å; A64-R75 WeakPolarHBondContact O-CD 3.42Å; A64-R75 WeakPolarHBondContact O-CG 3.34Å; A64-R75 PolarHBondContact O-NH1 2.66Å; A64-L77 HydrophobicContact CB-CD1 4.48Å; A64-Y268 HydrophobicContact CB-CE2 3.75Å
65P95.8Very high94.6Very high61 Ų6139.3 Ų39.340%0.39622%0.224SC..  trans-63.2153.4177.631.1-37.4000111.2Y63 F73Y63-P65 HydrophobicContact CD1-CG 4.38Å; Y63-P65 HydrophobicContact CE1-CB 4.45Å; Y63-P65 HydrophobicContact CE1-CG 3.9Å; P65-F73 WeakPolarHBondContact CB-O 3.49Å
66I94.2Very high94.8Very high24 Ų2438.8 Ų38.812%0.12322%0.22CC..  trans-112.7113176.6-60.9167.5000109.1G68 Q69 S72 R270 S333I66-G68 PolarHBondContact O-N 3.24Å; I66-Q69 HydrophobicContact CB-CB 4.34Å; I66-Q69 HydrophobicContact CG2-CB 4.06Å; I66-Q69 PolarHBondContact O-N 3.18Å; I66-S72 PolarHBondContact N-O 3.37Å; I66-R270 VanDerWaalsContact CD1-CZ 3.49Å; I66-S333 WeakPolarHBondContact CD1-OG 3.21Å
67S89.1Confident94.9Very high125 Ų12538.7 Ų38.787%0.87422%0.22SC*.THydrogen-bonded Turntrans-55.5134.5177.1-61.40000111.7Q69S67-Q69 VanDerWaalsContact C-N 3.26Å; S67-Q69 PolarHBondContact O-N 3.39Å
68G87.1Confident95Very high89 Ų8938.7 Ų38.792%0.91822%0.22SC*.THydrogen-bonded Turntrans76.93.8179.200000115.3I66I66-G68 PolarHBondContact O-N 3.24Å
69Q88.1Confident95.1Very high62 Ų6238.7 Ų38.729%0.2922%0.22SC..  trans-118.696.4176.7-170.2173.525.900111.2I66 S67 R71 S72 F73 A332 S333I66-Q69 HydrophobicContact CB-CB 4.34Å; I66-Q69 HydrophobicContact CG2-CB 4.06Å; I66-Q69 PolarHBondContact O-N 3.18Å; S67-Q69 VanDerWaalsContact C-N 3.26Å; S67-Q69 PolarHBondContact O-N 3.39Å; Q69-R71 PolarHBondContact O-N 2.96Å; Q69-S72 WeakPolarHBondContact CB-OG 3.26Å; Q69-S72 VanDerWaalsContact CG-OG 3.27Å; Q69-S72 WeakPolarHBondContact CG-OG 3.32Å; Q69-S72 CarbonylContact O-C 3.56Å; Q69-S72 PolarHBondContact O-N 2.69Å; Q69-S72 PolarHBondContact O-OG 3.49Å; Q69-S72 VanDerWaalsContact O-OG 3.13Å; Q69-S72 PolarHBondContact OE1-OG 2.89Å; Q69-F73 PolarHBondContact O-N 3.1Å; Q69-A332 PolarHBondContact NE2-O 3.3Å; Q69-A332 VanDerWaalsContact NE2-O 3.08Å; Q69-S333 VanDerWaalsContact OE1-CB 3.27Å
70D88.9Confident95.1Very high134 Ų13438.6 Ų38.672%0.71722%0.22SC*.G310 helixtrans-50.8-37.1-174.7-71.1-8.4000114.1S72 F73 P104D70-S72 PolarHBondContact O-N 2.86Å; D70-F73 PolarHBondContact O-N 3.27Å; D70-P104 WeakPolarHBondContact O-CA 3.48Å
71R89.6Confident95.1Very high159 Ų15938.6 Ų38.660%0.622%0.22SC*.G310 helixtrans-77-7-176.3-68.7177.2168.9-178.11.2114.3Q69 Q102Q69-R71 PolarHBondContact O-N 2.96Å; R71-Q102 PolarHBondContact O-NE2 2.72Å
72S92.9Very high94.9Very high0 Ų038.6 Ų38.60%022%0.22CC..G310 helixtrans-128.731.7177.149.20000110.2I66 Q69 D70 H74I66-S72 PolarHBondContact N-O 3.37Å; Q69-S72 WeakPolarHBondContact CB-OG 3.26Å; Q69-S72 VanDerWaalsContact CG-OG 3.27Å; Q69-S72 WeakPolarHBondContact CG-OG 3.32Å; Q69-S72 CarbonylContact O-C 3.56Å; Q69-S72 PolarHBondContact O-N 2.69Å; Q69-S72 PolarHBondContact O-OG 3.49Å; Q69-S72 VanDerWaalsContact O-OG 3.13Å; Q69-S72 PolarHBondContact OE1-OG 2.89Å; D70-S72 PolarHBondContact O-N 2.86Å; S72-H74 VanDerWaalsContact C-N 3.3Å
73F95Very high94.6Very high77 Ų7741 Ų4134%0.33823%0.23SC..SBendtrans-58-48.4172.7-175.4-76.3000109.9Y63 P65 Q69 D70 L103 R105Y63-F73 PolarHBondContact OH-O 3.31Å; P65-F73 WeakPolarHBondContact CB-O 3.49Å; Q69-F73 PolarHBondContact O-N 3.1Å; D70-F73 PolarHBondContact O-N 3.27Å; F73-L103 PolarHBondContact N-O 3.13Å; F73-R105 HydrophobicContact CB-CB 4.13Å; F73-R105 HydrophobicContact CD1-CB 3.96Å; F73-R105 HydrophobicContact CD1-CG 4.38Å; F73-R105 HydrophobicContact CD2-CB 3.82Å; F73-R105 HydrophobicContact CD2-CG 4.4Å; F73-R105 VanDerWaalsContact CE1-CD 3.44Å; F73-R105 HydrophobicContact CE1-CG 4.47Å; F73-R105 HydrophobicContact CE2-CB 4.31Å; F73-R105 HydrophobicContact CE2-CG 4.39Å; F73-R105 HydrophobicContact CG-CB 3.64Å; F73-R105 HydrophobicContact CG-CG 4.41Å; F73-R105 HydrophobicContact CZ-CG 4.46Å
74H95.8Very high94.3Very high4 Ų439.7 Ų39.72%0.01923%0.228CC..EExtended strand (participates in β ladder)trans-102.1126.6161.4-57-69.6000107.5F25 L36 Y63 S72 Q102 L103F25-H74 AromaticContact CD1-ND1 3.64Å; F25-H74 HydrophobicContact CE1-CB 4.32Å; F25-H74 AromaticContact CE1-CE1 3.63Å; F25-H74 AromaticContact CE1-CG 3.72Å; F25-H74 AromaticContact CE1-ND1 3.36Å; F25-H74 WeakPolarHBondContact CE1-ND1 3.22Å; F25-H74 AromaticContact CE2-CE1 3.67Å; F25-H74 AromaticContact CZ-CE1 3.32Å; F25-H74 WeakPolarHBondContact CZ-CE1 3.46Å; F25-H74 AromaticContact CZ-ND1 3.57Å; F25-H74 AromaticContact CZ-NE2 3.84Å; L36-H74 HydrophobicContact CD1-CB 3.86Å; L36-H74 HydrophobicContact CD2-CB 4.14Å; Y63-H74 HydrophobicContact CE2-CB 4.03Å; Y63-H74 AromaticContact CE2-ND1 3.91Å; Y63-H74 AromaticContact CZ-ND1 3.78Å; Y63-H74 PolarHBondContact OH-ND1 2.8Å; S72-H74 VanDerWaalsContact C-N 3.3Å; H74-Q102 CarbonylContact O-C 3.48Å; H74-Q102 WeakPolarHBondContact O-CA 3.21Å; H74-L103 HydrophobicContact CB-CB 4.24Å; H74-L103 PolarHBondContact N-O 3.08Å; H74-L103 PolarHBondContact O-N 2.98Å
75R97.3Very high93.9Very high0 Ų041.2 Ų41.20%024%0.237CC..EExtended strand (participates in β ladder)trans-145.7125.9176.2174.7176.1173.1-80.75.2108.1Y63 A64 R100 S101 Q102 E300 T329Y63-R75 WeakPolarHBondContact CD2-O 3.17Å; A64-R75 CarbonylContact C-O 3.6Å; A64-R75 PolarHBondContact N-O 2.7Å; A64-R75 WeakPolarHBondContact O-CB 3.45Å; A64-R75 WeakPolarHBondContact O-CD 3.42Å; A64-R75 WeakPolarHBondContact O-CG 3.34Å; A64-R75 PolarHBondContact O-NH1 2.66Å; R75-R100 HydrophobicContact CG-CG 4.33Å; R75-S101 WeakPolarHBondContact CA-O 3.42Å; R75-Q102 HydrophobicContact CB-CB 4.31Å; R75-Q102 HydrophobicContact CG-CB 4.44Å; R75-E300 IonicContact CZ-OE1 3.44Å; R75-E300 IonicContact CZ-OE2 3.75Å; R75-E300 IonicContact NH1-OE1 2.72Å; R75-E300 PolarHBondContact NH1-OE1 2.86Å; R75-E300 IonicContact NH1-OE2 3.79Å; R75-E300 VanDerWaalsContact NH2-CD 3.31Å; R75-E300 IonicContact NH2-OE1 3.27Å; R75-E300 PolarHBondContact NH2-OE1 2.98Å; R75-E300 IonicContact NH2-OE2 2.86Å; R75-E300 PolarHBondContact NH2-OE2 2.74Å; R75-T329 PolarHBondContact NH2-OG1 3.29Å
76T98.3Very high93.7Very high2 Ų245.1 Ų45.11%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-130.8137.2-177.8-52.90000109.4Q61 V62 F78 S101Q61-T76 HydrophobicContact CB-CG2 3.96Å; Q61-T76 HydrophobicContact CG-CG2 4.39Å; V62-T76 WeakPolarHBondContact O-CA 3.18Å; T76-F78 HydrophobicContact CG2-CD2 4.15Å; T76-F78 HydrophobicContact CG2-CE1 3.97Å; T76-F78 HydrophobicContact CG2-CE2 3.53Å; T76-F78 HydrophobicContact CG2-CZ 3.43Å; T76-F78 VanDerWaalsContact CG2-CZ 3.43Å; T76-S101 PolarHBondContact N-O 3.31Å; T76-S101 PolarHBondContact O-N 3.31Å
77L98.7Very high93.7Very high0 Ų044.2 Ų44.20%025%0.246CC..EExtended strand (participates in β ladder)trans-106132.6173.5-63.5165.1000108.4Q61 V62 A64 F99 R100 E300 F301 T329Q61-L77 CarbonylContact C-O 3.55Å; Q61-L77 WeakPolarHBondContact CA-O 3.22Å; Q61-L77 VanDerWaalsContact CB-O 3.29Å; Q61-L77 WeakPolarHBondContact CB-O 3.38Å; V62-L77 PolarHBondContact N-O 2.89Å; V62-L77 PolarHBondContact O-N 3.04Å; A64-L77 HydrophobicContact CB-CD1 4.48Å; L77-F99 CarbonylContact C-O 3.49Å; L77-F99 WeakPolarHBondContact CA-O 2.94Å; L77-R100 HydrophobicContact CD2-CB 3.62Å; L77-R100 HydrophobicContact CD2-CG 3.92Å; L77-E300 HydrophobicContact CD1-CB 4.5Å; L77-E300 HydrophobicContact CD1-CG 3.55Å; L77-F301 HydrophobicContact CB-CE1 4.01Å; L77-F301 HydrophobicContact CD1-CD1 3.98Å; L77-F301 HydrophobicContact CD1-CE1 3.68Å; L77-F301 HydrophobicContact CG-CE1 4.48Å; L77-T329 HydrophobicContact CD1-CG2 3.87Å; L77-T329 HydrophobicContact CD2-CG2 3.64Å; L77-T329 HydrophobicContact CG-CG2 4.44Å
78F98.8Very high93.9Very high0 Ų039.6 Ų39.60%021%0.21CC..EExtended strand (participates in β ladder)trans-119.2121.4-177.8-59.3-97.4000108.4P33 A34 W35 L36 F58 Q61 T76 F80 V98 F99 Y340P33-F78 HydrophobicContact CB-CD1 4.26Å; P33-F78 HydrophobicContact CB-CE1 4.44Å; A34-F78 WeakPolarHBondContact O-CE1 3.44Å; W35-F78 HydrophobicContact CE3-CD1 4.33Å; W35-F78 HydrophobicContact CE3-CE1 4.16Å; W35-F78 HydrophobicContact CE3-CZ 4.38Å; W35-F78 HydrophobicContact CZ3-CD1 4.31Å; W35-F78 HydrophobicContact CZ3-CG 4.4Å; L36-F78 HydrophobicContact CB-CE2 4.48Å; L36-F78 HydrophobicContact CB-CZ 4.19Å; F58-F78 AromaticContact CE2-CD1 4Å; F58-F78 HydrophobicContact CE2-CD1 4Å; Q61-F78 HydrophobicContact CB-CD1 3.87Å; Q61-F78 HydrophobicContact CB-CE1 4.16Å; Q61-F78 HydrophobicContact CB-CG 4.42Å; T76-F78 HydrophobicContact CG2-CD2 4.15Å; T76-F78 HydrophobicContact CG2-CE1 3.97Å; T76-F78 HydrophobicContact CG2-CE2 3.53Å; T76-F78 HydrophobicContact CG2-CZ 3.43Å; T76-F78 VanDerWaalsContact CG2-CZ 3.43Å; F78-F80 HydrophobicContact CB-CD2 4.47Å; F78-F80 HydrophobicContact CB-CE2 3.71Å; F78-F80 HydrophobicContact CB-CZ 4.46Å; F78-V98 CarbonylContact O-C 3.55Å; F78-V98 VanDerWaalsContact O-CA 3.25Å; F78-V98 WeakPolarHBondContact O-CA 3.41Å; F78-F99 PolarHBondContact N-O 3.09Å; F78-F99 PolarHBondContact O-N 2.93Å; F78-Y340 HydrophobicContact CD2-CD1 4.22Å; F78-Y340 AromaticContact CD2-CE1 3.9Å; F78-Y340 HydrophobicContact CD2-CE1 3.9Å; F78-Y340 HydrophobicContact CE2-CD1 4.28Å; F78-Y340 AromaticContact CE2-CE1 3.58Å; F78-Y340 HydrophobicContact CE2-CE1 3.58Å; F78-Y340 HydrophobicContact CZ-CE1 4.11Å
79L98.8Very high94.1Very high0 Ų038 Ų380%018%0.184CC..EExtended strand (participates in β ladder)trans-107.8131.3177.8-17663.4000109.4L59 L60 F96 V98 V303 V345L59-L79 WeakPolarHBondContact CB-O 3.35Å; L59-L79 HydrophobicContact CD2-CD2 3.83Å; L59-L79 HydrophobicContact CD2-CG 4.18Å; L59-L79 PolarHBondContact N-O 2.86Å; L60-L79 HydrophobicContact CD1-CB 4.02Å; L60-L79 HydrophobicContact CD1-CD2 4.44Å; L60-L79 HydrophobicContact CD2-CD2 4.28Å; L60-L79 HydrophobicContact CG-CB 4.06Å; L60-L79 HydrophobicContact CG-CD2 4.21Å; L60-L79 PolarHBondContact N-O 2.84Å; L60-L79 PolarHBondContact O-N 3.04Å; L79-F96 HydrophobicContact CD1-CD1 4.14Å; L79-F96 HydrophobicContact CG-CD1 4.43Å; L79-V98 HydrophobicContact CD1-CB 4.04Å; L79-V303 HydrophobicContact CD2-CG2 3.77Å; L79-V345 HydrophobicContact CD1-CG2 4.27Å
80F98.5Very high94.3Very high0 Ų040.8 Ų40.80%020%0.197CC..EExtended strand (participates in β ladder)trans-119.6148.6176.6-65.2-98.1000109.1P33 W35 L47 M56 V57 F58 F78 F96 K97 F99P33-F80 HydrophobicContact CG-CE1 3.98Å; P33-F80 HydrophobicContact CG-CZ 3.92Å; W35-F80 HydrophobicContact CH2-CE2 4.19Å; W35-F80 AromaticContact CH2-CZ 3.56Å; W35-F80 HydrophobicContact CH2-CZ 3.56Å; W35-F80 HydrophobicContact CZ2-CZ 4.17Å; W35-F80 HydrophobicContact CZ3-CZ 4.27Å; L47-F80 HydrophobicContact CD2-CD1 3.86Å; L47-F80 HydrophobicContact CD2-CD2 3.81Å; L47-F80 HydrophobicContact CD2-CE1 3.97Å; L47-F80 HydrophobicContact CD2-CE2 3.9Å; L47-F80 HydrophobicContact CD2-CG 3.8Å; L47-F80 HydrophobicContact CD2-CZ 4Å; M56-F80 HydrophobicContact CB-CB 4.04Å; M56-F80 HydrophobicContact CE-CB 4.21Å; M56-F80 WeakPolarHBondContact CE-O 3.36Å; V57-F80 CarbonylContact O-C 3.57Å; V57-F80 WeakPolarHBondContact O-CA 3.36Å; V57-F80 WeakPolarHBondContact O-CB 3.42Å; F58-F80 HydrophobicContact CB-CD1 4.16Å; F58-F80 HydrophobicContact CB-CE1 3.86Å; F58-F80 HydrophobicContact CD2-CE1 4.01Å; F58-F80 HydrophobicContact CD2-CE2 4.47Å; F58-F80 AromaticContact CD2-CZ 3.95Å; F58-F80 HydrophobicContact CD2-CZ 3.95Å; F58-F80 HydrophobicContact CG-CE1 4.44Å; F78-F80 HydrophobicContact CB-CD2 4.47Å; F78-F80 HydrophobicContact CB-CE2 3.71Å; F78-F80 HydrophobicContact CB-CZ 4.46Å; F80-F96 VanDerWaalsContact O-CA 3.31Å; F80-F96 WeakPolarHBondContact O-CA 3.47Å; F80-K97 PolarHBondContact N-O 3.48Å; F80-K97 PolarHBondContact O-N 3.26Å; F80-F99 HydrophobicContact CD2-CD2 4Å; F80-F99 HydrophobicContact CD2-CE2 4.32Å; F80-F99 HydrophobicContact CE2-CD2 4.05Å
81C97.6Very high94.6Very high0 Ų036.1 Ų36.10%017%0.172CC..EExtended strand (participates in β ladder)trans-136.4163.6174.572.40000112.1M56 V57 L59 Y88 C95 F96M56-C81 WeakPolarHBondContact CA-O 3.47Å; M56-C81 WeakPolarHBondContact CB-O 3.35Å; V57-C81 WeakPolarHBondContact CG1-O 3.21Å; V57-C81 PolarHBondContact N-O 3.43Å; V57-C81 PolarHBondContact O-N 2.87Å; L59-C81 HydrophobicContact CD2-CB 4.36Å; C81-Y88 WeakPolarHBondContact CB-OH 3.47Å; C81-C95 CarbonylContact C-O 3.53Å; C81-C95 VanDerWaalsContact CA-O 3.24Å; C81-C95 WeakPolarHBondContact CA-O 3.47Å; C81-F96 HydrophobicContact CB-CD1 3.69Å; C81-F96 HydrophobicContact CB-CE1 3.53Å; C81-F96 HydrophobicContact CB-CG 4.44Å; C81-F96 HydrophobicContact CB-CZ 4.14Å
82C95.6Very high94.9Very high1 Ų129.7 Ų29.71%0.00715%0.15CC..  trans-80.9143.8173.3-166.90000110.5C49 T84 C87 Y88 C95C49-C82 HydrophobicContact CB-CB 4.04Å; C49-C82 VanDerWaalsContact SG-SG 3.62Å; C82-T84 VanDerWaalsContact SG-CB 3.55Å; C82-T84 PolarHBondContact SG-N 3.35Å; C82-T84 VanDerWaalsContact SG-N 3.38Å; C82-C87 HydrophobicContact CB-CB 4.24Å; C82-Y88 WeakPolarHBondContact O-CE2 3.37Å; C82-Y88 VanDerWaalsContact O-CZ 3.3Å; C82-Y88 PolarHBondContact O-OH 2.88Å; C82-C95 HydrophobicContact CB-CB 3.89Å; C82-C95 PolarHBondContact N-O 2.83Å
83K91.6Very high95.1Very high59 Ų5930.8 Ų30.826%0.25716%0.157SC..  trans-91.1-2.7169.7-61.2-164.889.5167.20113.8V57 P85 F189 F191V57-K83 HydrophobicContact CB-CD 4.05Å; V57-K83 HydrophobicContact CB-CG 3.94Å; V57-K83 HydrophobicContact CG1-CD 3.87Å; V57-K83 HydrophobicContact CG1-CG 3.38Å; V57-K83 HydrophobicContact CG2-CD 4.27Å; K83-P85 VanDerWaalsContact O-CD 3.31Å; K83-P85 WeakPolarHBondContact O-CD 3.29Å; K83-F189 HydrophobicContact CD-CD2 4.09Å; K83-F189 HydrophobicContact CD-CE2 4.03Å; K83-F189 HydrophobicContact CD-CZ 4.44Å; K83-F189 WeakPolarHBondContact CD-O 3.41Å; K83-F189 WeakPolarHBondContact CE-O 3.24Å; K83-F189 HydrophobicContact CG-CE2 4.4Å; K83-F189 PolarHBondContact NZ-O 2.87Å; K83-F191 HydrophobicContact CG-CZ 4.44Å
84T91.4Very high95.2Very high32 Ų3233.1 Ų33.120%0.19616%0.164CC..  trans-82.3112.9179.5-57.90000109.5C82 E86 C87C82-T84 VanDerWaalsContact SG-CB 3.55Å; C82-T84 PolarHBondContact SG-N 3.35Å; C82-T84 VanDerWaalsContact SG-N 3.38Å; T84-E86 VanDerWaalsContact C-N 3.27Å; T84-E86 HydrophobicContact CG2-CB 4.44Å; T84-E86 WeakPolarHBondContact CG2-OE2 3.34Å; T84-E86 PolarHBondContact O-N 3.18Å; T84-C87 VanDerWaalsContact O-CB 3.28Å; T84-C87 WeakPolarHBondContact O-CB 3.49Å; T84-C87 PolarHBondContact O-N 2.8Å
85P89.3Confident95.2Very high36 Ų3632.9 Ų32.923%0.23416%0.163CC..G310 helixtrans-60.8-34.3-173.9-25.336.3000113.9K83 C87 Y88 A318K83-P85 VanDerWaalsContact O-CD 3.31Å; K83-P85 WeakPolarHBondContact O-CD 3.29Å; P85-C87 PolarHBondContact O-N 3.32Å; P85-Y88 WeakPolarHBondContact O-CB 3.27Å; P85-Y88 PolarHBondContact O-N 2.96Å; P85-A318 HydrophobicContact CB-CB 3.27Å; P85-A318 WeakPolarHBondContact CB-O 3.45Å; P85-A318 HydrophobicContact CG-CB 4.01Å; P85-A318 WeakPolarHBondContact CG-O 3.38Å
86E91.1Very high95.3Very high144 Ų14433.1 Ų33.167%0.67316%0.164SC*.G310 helixtrans-64.8-13.9179.4-58.474.3-160.500112.8T84 Y88T84-E86 VanDerWaalsContact C-N 3.27Å; T84-E86 HydrophobicContact CG2-CB 4.44Å; T84-E86 WeakPolarHBondContact CG2-OE2 3.34Å; T84-E86 PolarHBondContact O-N 3.18Å; E86-Y88 VanDerWaalsContact C-N 3.32Å
87C94.1Very high95.3Very high5 Ų534.1 Ų34.13%0.03417%0.168CC..G310 helixtrans-78.8-15.7174.6-63.90000112.9K51 C52 C82 T84 P85 S89 C95K51-C87 HydrophobicContact CB-CB 4.23Å; K51-C87 HydrophobicContact CD-CB 3.94Å; K51-C87 WeakPolarHBondContact CD-O 3.49Å; K51-C87 WeakPolarHBondContact CE-O 3.46Å; K51-C87 PolarHBondContact NZ-O 3.47Å; C52-C87 VanDerWaalsContact SG-SG 3.66Å; C82-C87 HydrophobicContact CB-CB 4.24Å; T84-C87 VanDerWaalsContact O-CB 3.28Å; T84-C87 WeakPolarHBondContact O-CB 3.49Å; T84-C87 PolarHBondContact O-N 2.8Å; P85-C87 PolarHBondContact O-N 3.32Å; C87-S89 PolarHBondContact O-N 3.25Å; C87-C95 HydrophobicContact CB-CB 3.95Å
88Y92.6Very high95.3Very high28 Ų2834.1 Ų34.111%0.1117%0.168CC..  trans-85.956.7-179.8-69.3-95.6000111.5C81 C82 P85 E86 F96 I320 D321 W322C81-Y88 WeakPolarHBondContact CB-OH 3.47Å; C82-Y88 WeakPolarHBondContact O-CE2 3.37Å; C82-Y88 VanDerWaalsContact O-CZ 3.3Å; C82-Y88 PolarHBondContact O-OH 2.88Å; P85-Y88 WeakPolarHBondContact O-CB 3.27Å; P85-Y88 PolarHBondContact O-N 2.96Å; E86-Y88 VanDerWaalsContact C-N 3.32Å; Y88-F96 HydrophobicContact CD1-CE2 4.36Å; Y88-F96 AromaticContact CE1-CE2 3.68Å; Y88-F96 HydrophobicContact CE1-CE2 3.68Å; Y88-F96 AromaticContact CE1-CZ 3.75Å; Y88-F96 HydrophobicContact CE1-CZ 3.75Å; Y88-I320 HydrophobicContact CD1-CG2 4.45Å; Y88-I320 HydrophobicContact CE1-CB 4.44Å; Y88-I320 HydrophobicContact CE1-CG2 3.68Å; Y88-I320 HydrophobicContact CE2-CB 4.27Å; Y88-I320 HydrophobicContact CE2-CG1 3.79Å; Y88-I320 HydrophobicContact CE2-CG2 4.25Å; Y88-I320 WeakPolarHBondContact OH-CG2 3.25Å; Y88-D321 VanDerWaalsContact CD1-O 3.3Å; Y88-D321 WeakPolarHBondContact CD1-O 3.33Å; Y88-W322 HydrophobicContact CE1-CE3 4.38Å
89S92.3Very high95.2Very high55 Ų5534.5 Ų34.539%0.38517%0.17SC..  trans-64.2150.8168.8-38.40000110.5K51 C87 N91 K347K51-S89 PolarHBondContact NZ-OG 2.82Å; C87-S89 PolarHBondContact O-N 3.25Å; S89-N91 PolarHBondContact O-N 3.49Å; S89-K347 PolarHBondContact O-NZ 3.35Å
90H93.1Very high95.2Very high121 Ų12134.6 Ų34.656%0.5617%0.17SC*.THydrogen-bonded Turntrans-58.4128.8-178-174.8-91.6000111.7D92 D349H90-D92 VanDerWaalsContact C-N 3.35Å; H90-D92 PolarHBondContact O-N 3.05Å; H90-D349 VanDerWaalsContact CA-OD2 3.25Å; H90-D349 WeakPolarHBondContact CA-OD2 3.33Å
91N94.5Very high95.2Very high36 Ų3634.6 Ų34.619%0.19317%0.17CC..THydrogen-bonded Turntrans53.846.2175.9-75.9-13.7000113.3S89 H281 Q348 D349S89-N91 PolarHBondContact O-N 3.49Å; N91-H281 HydrophobicContact CB-CB 4.25Å; N91-H281 WeakPolarHBondContact CB-CD2 3.46Å; N91-H281 WeakPolarHBondContact CB-NE2 3.4Å; N91-H281 VanDerWaalsContact CG-CG 3.44Å; N91-H281 WeakPolarHBondContact ND2-CB 3.48Å; N91-H281 PolarHBondContact O-CE1 3.09Å; N91-H281 VanDerWaalsContact O-CE1 3.26Å; N91-H281 PolarHBondContact O-NE2 3.47Å; N91-H281 PolarHBondContact OD1-CD2 3.37Å; N91-Q348 WeakPolarHBondContact OD1-CA 3.48Å; N91-D349 PolarHBondContact N-OD2 3.15Å; N91-D349 PolarHBondContact OD1-N 3.05Å
92D95.4Very high95.1Very high24 Ų2435 Ų3513%0.12817%0.172CC..  trans-135.6115.4-178.1-171.4-23.5000111.9K51 H90 R94K51-D92 WeakPolarHBondContact CE-OD2 3.46Å; K51-D92 IonicContact NZ-OD1 3.34Å; K51-D92 IonicContact NZ-OD2 2.63Å; K51-D92 PolarHBondContact NZ-OD2 3.04Å; H90-D92 VanDerWaalsContact C-N 3.35Å; H90-D92 PolarHBondContact O-N 3.05Å; D92-R94 WeakPolarHBondContact OD1-CB 3.25Å; D92-R94 VanDerWaalsContact OD1-CG 3.25Å; D92-R94 WeakPolarHBondContact OD1-CG 3.32Å; D92-R94 IonicContact OD1-CZ 2.74Å; D92-R94 PolarHBondContact OD1-N 2.96Å; D92-R94 IonicContact OD1-NE 3.96Å; D92-R94 PolarHBondContact OD1-NE 3.25Å; D92-R94 IonicContact OD2-CZ 2.7Å; D92-R94 VanDerWaalsContact OD2-CZ 3.28Å; D92-R94 IonicContact OD2-NE 3.28Å; D92-R94 PolarHBondContact OD2-NE 3.47Å; D92-R94 VanDerWaalsContact OD2-NE 3.08Å; D92-R94 IonicContact OD2-NH2 2.75Å; D92-R94 PolarHBondContact OD2-NH2 3.46Å
93S96.8Very high95.1Very high22 Ų2235 Ų3515%0.15417%0.171CC..G310 helixtrans-84-5.5-175.1-47.30000114.6C95 F96 V345 W346 K347S93-C95 PolarHBondContact O-N 3.37Å; S93-F96 WeakPolarHBondContact O-CB 3.42Å; S93-F96 PolarHBondContact O-N 3.24Å; S93-V345 WeakPolarHBondContact CB-O 3.31Å; S93-V345 PolarHBondContact OG-O 3.4Å; S93-W346 WeakPolarHBondContact OG-CA 3.16Å; S93-K347 PolarHBondContact OG-N 3.28Å
94R97.1Very high95.3Very high126 Ų12634.5 Ų34.548%0.47517%0.174SC..G310 helixtrans-64.6-11.5-172-72.4-178.2-67.1175.9-3.9115E50 K51 D92 F96E50-R94 HydrophobicContact CB-CB 4.07Å; E50-R94 PolarHBondContact N-O 3.18Å; K51-R94 HydrophobicContact CG-CB 4.19Å; D92-R94 WeakPolarHBondContact OD1-CB 3.25Å; D92-R94 VanDerWaalsContact OD1-CG 3.25Å; D92-R94 WeakPolarHBondContact OD1-CG 3.32Å; D92-R94 IonicContact OD1-CZ 2.74Å; D92-R94 PolarHBondContact OD1-N 2.96Å; D92-R94 IonicContact OD1-NE 3.96Å; D92-R94 PolarHBondContact OD1-NE 3.25Å; D92-R94 IonicContact OD2-CZ 2.7Å; D92-R94 VanDerWaalsContact OD2-CZ 3.28Å; D92-R94 IonicContact OD2-NE 3.28Å; D92-R94 PolarHBondContact OD2-NE 3.47Å; D92-R94 VanDerWaalsContact OD2-NE 3.08Å; D92-R94 IonicContact OD2-NH2 2.75Å; D92-R94 PolarHBondContact OD2-NH2 3.46Å; R94-F96 VanDerWaalsContact C-N 3.32Å
95C96.8Very high95.5Very high0 Ų036 Ų360%018%0.177CC..G310 helixtrans-88.85.4171.262.10000113.5M56 C81 C82 C87 S93M56-C95 WeakPolarHBondContact CE-O 3.5Å; C81-C95 CarbonylContact C-O 3.53Å; C81-C95 VanDerWaalsContact CA-O 3.24Å; C81-C95 WeakPolarHBondContact CA-O 3.47Å; C82-C95 HydrophobicContact CB-CB 3.89Å; C82-C95 PolarHBondContact N-O 2.83Å; C87-C95 HydrophobicContact CB-CB 3.95Å; S93-C95 PolarHBondContact O-N 3.37Å
96F98.3Very high95.7Very high4 Ų442.6 Ų42.62%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-122148.9176.4-69.9-92.8000111.7L59 L79 F80 C81 Y88 S93 R94 W322 V325 V345 K347L59-F96 HydrophobicContact CD2-CE1 3.98Å; L79-F96 HydrophobicContact CD1-CD1 4.14Å; L79-F96 HydrophobicContact CG-CD1 4.43Å; F80-F96 VanDerWaalsContact O-CA 3.31Å; F80-F96 WeakPolarHBondContact O-CA 3.47Å; C81-F96 HydrophobicContact CB-CD1 3.69Å; C81-F96 HydrophobicContact CB-CE1 3.53Å; C81-F96 HydrophobicContact CB-CG 4.44Å; C81-F96 HydrophobicContact CB-CZ 4.14Å; Y88-F96 HydrophobicContact CD1-CE2 4.36Å; Y88-F96 AromaticContact CE1-CE2 3.68Å; Y88-F96 HydrophobicContact CE1-CE2 3.68Å; Y88-F96 AromaticContact CE1-CZ 3.75Å; Y88-F96 HydrophobicContact CE1-CZ 3.75Å; S93-F96 WeakPolarHBondContact O-CB 3.42Å; S93-F96 PolarHBondContact O-N 3.24Å; R94-F96 VanDerWaalsContact C-N 3.32Å; F96-W322 HydrophobicContact CE1-CE3 4.42Å; F96-W322 HydrophobicContact CE1-CZ3 4.25Å; F96-W322 HydrophobicContact CZ-CD2 4.48Å; F96-W322 AromaticContact CZ-CE3 3.7Å; F96-W322 HydrophobicContact CZ-CE3 3.7Å; F96-W322 AromaticContact CZ-CZ3 3.88Å; F96-W322 HydrophobicContact CZ-CZ3 3.88Å; F96-V325 HydrophobicContact CD1-CG1 4.36Å; F96-V325 HydrophobicContact CE1-CG1 4.46Å; F96-V325 HydrophobicContact CE1-CG2 4.18Å; F96-V325 HydrophobicContact CE2-CG2 4.39Å; F96-V325 HydrophobicContact CZ-CG2 3.97Å; F96-V345 HydrophobicContact CB-CB 4.44Å; F96-V345 HydrophobicContact CB-CG1 3.74Å; F96-V345 HydrophobicContact CB-CG2 3.89Å; F96-V345 HydrophobicContact CG-CG2 4.42Å; F96-K347 HydrophobicContact CD2-CD 4.31Å; F96-K347 HydrophobicContact CE2-CD 3.69Å
97K98.5Very high95.9Very high23 Ų2337.3 Ų37.310%0.118%0.178CC..EExtended strand (participates in β ladder)trans-141.8137.8170.8-71.4-170.8175.3175.20110.1D46 E48 M56 F80 F99D46-K97 WeakPolarHBondContact O-CD 3.25Å; D46-K97 WeakPolarHBondContact O-CE 3.35Å; D46-K97 PolarHBondContact O-NZ 2.85Å; E48-K97 VanDerWaalsContact O-CE 3.24Å; E48-K97 WeakPolarHBondContact O-CE 3.26Å; E48-K97 PolarHBondContact O-NZ 2.71Å; M56-K97 HydrophobicContact CE-CB 4.14Å; M56-K97 HydrophobicContact CE-CG 4.02Å; M56-K97 HydrophobicContact SD-CB 4.06Å; M56-K97 HydrophobicContact SD-CD 3.62Å; M56-K97 HydrophobicContact SD-CG 3.63Å; F80-K97 PolarHBondContact N-O 3.48Å; F80-K97 PolarHBondContact O-N 3.26Å; K97-F99 HydrophobicContact CB-CE2 3.94Å
98V98.6Very high95.9Very high0 Ų041.6 Ų41.60%020%0.198CC..EExtended strand (participates in β ladder)trans-124.3132.5178.957.40000110.8F78 L79 V327 E343 V345F78-V98 CarbonylContact O-C 3.55Å; F78-V98 VanDerWaalsContact O-CA 3.25Å; F78-V98 WeakPolarHBondContact O-CA 3.41Å; L79-V98 HydrophobicContact CD1-CB 4.04Å; V98-V327 HydrophobicContact CG1-CG1 4.38Å; V98-V327 HydrophobicContact CG2-CG1 3.8Å; V98-V327 HydrophobicContact CG2-CG2 4.46Å; V98-E343 HydrophobicContact CG1-CB 3.77Å; V98-E343 WeakPolarHBondContact CG1-O 3.41Å; V98-E343 HydrophobicContact CG2-CB 4.36Å; V98-E343 PolarHBondContact O-N 3.21Å; V98-V345 HydrophobicContact CG1-CB 4Å; V98-V345 HydrophobicContact CG1-CG1 4.47Å
99F98.4Very high95.9Very high9 Ų941.2 Ų41.24%0.03920%0.197CC..EExtended strand (participates in β ladder)trans-121.2139.4178.1-65-89.2000110.7P42 D46 L47 L77 F78 F80 K97 Y340 R341 L342P42-F99 HydrophobicContact CB-CD1 4.35Å; P42-F99 HydrophobicContact CB-CE1 3.97Å; P42-F99 HydrophobicContact CB-CE2 4.41Å; P42-F99 HydrophobicContact CB-CZ 4.01Å; P42-F99 HydrophobicContact CG-CD1 3.83Å; P42-F99 HydrophobicContact CG-CD2 4.24Å; P42-F99 HydrophobicContact CG-CE1 3.97Å; P42-F99 HydrophobicContact CG-CE2 4.38Å; P42-F99 HydrophobicContact CG-CG 3.96Å; P42-F99 HydrophobicContact CG-CZ 4.25Å; D46-F99 HydrophobicContact CB-CE1 4.38Å; D46-F99 HydrophobicContact CB-CZ 4.07Å; L47-F99 HydrophobicContact CD2-CD2 4.3Å; L47-F99 HydrophobicContact CD2-CE2 3.59Å; L47-F99 HydrophobicContact CD2-CZ 4.25Å; L47-F99 HydrophobicContact CG-CE2 4.49Å; L77-F99 CarbonylContact C-O 3.49Å; L77-F99 WeakPolarHBondContact CA-O 2.94Å; F78-F99 PolarHBondContact N-O 3.09Å; F78-F99 PolarHBondContact O-N 2.93Å; F80-F99 HydrophobicContact CD2-CD2 4Å; F80-F99 HydrophobicContact CD2-CE2 4.32Å; F80-F99 HydrophobicContact CE2-CD2 4.05Å; K97-F99 HydrophobicContact CB-CE2 3.94Å; F99-Y340 HydrophobicContact CB-CD1 4.27Å; F99-R341 CarbonylContact C-O 3.49Å; F99-R341 VanDerWaalsContact CA-O 3.25Å; F99-R341 WeakPolarHBondContact CA-O 3.48Å; F99-L342 HydrophobicContact CD1-CD1 4.26Å; F99-L342 HydrophobicContact CE1-CB 4.35Å; F99-L342 HydrophobicContact CE1-CD1 3.76Å; F99-L342 HydrophobicContact CE2-CD1 4.26Å; F99-L342 HydrophobicContact CZ-CD1 3.76Å
100R98Very high96Very high1 Ų139.9 Ų39.90%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-104.4133.7168.8178.5175.449.9117.75.5109.9R75 L77 S333 C334 Y340 R341 E343R75-R100 HydrophobicContact CG-CG 4.33Å; L77-R100 HydrophobicContact CD2-CB 3.62Å; L77-R100 HydrophobicContact CD2-CG 3.92Å; R100-S333 PolarHBondContact NH1-O 2.57Å; R100-S333 PolarHBondContact NH1-OG 3.47Å; R100-C334 VanDerWaalsContact NH1-N 3.19Å; R100-C334 PolarHBondContact NH1-O 2.88Å; R100-C334 PolarHBondContact NH2-O 2.91Å; R100-C334 PolarHBondContact NH2-SG 2.82Å; R100-C334 VanDerWaalsContact NH2-SG 3.4Å; R100-Y340 CarbonylContact O-C 3.49Å; R100-Y340 WeakPolarHBondContact O-CA 3.3Å; R100-R341 PolarHBondContact N-O 2.52Å; R100-R341 PolarHBondContact O-N 2.9Å; R100-E343 HydrophobicContact CB-CG 3.73Å; R100-E343 IonicContact CZ-OE1 3.98Å; R100-E343 IonicContact NE-OE1 2.95Å; R100-E343 PolarHBondContact NE-OE1 3.1Å; R100-E343 IonicContact NH2-OE1 2.88Å; R100-E343 PolarHBondContact NH2-OE1 3.44Å
101S97.5Very high96Very high0 Ų038 Ų380%018%0.184CC..EExtended strand (participates in β ladder)trans-121.9147.5164.8-169.40000109.2R75 T76 Y340R75-S101 WeakPolarHBondContact CA-O 3.42Å; T76-S101 PolarHBondContact N-O 3.31Å; T76-S101 PolarHBondContact O-N 3.31Å; S101-Y340 VanDerWaalsContact CB-CE1 3.44Å
102Q96.3Very high95.9Very high9 Ų943.1 Ų43.14%0.04220%0.202CC..EExtended strand (participates in β ladder)trans-147.1145.6178.164.7-173.872.400111.4R71 H74 R75 S333 C334R71-Q102 PolarHBondContact O-NE2 2.72Å; H74-Q102 CarbonylContact O-C 3.48Å; H74-Q102 WeakPolarHBondContact O-CA 3.21Å; R75-Q102 HydrophobicContact CB-CB 4.31Å; R75-Q102 HydrophobicContact CG-CB 4.44Å; Q102-S333 PolarHBondContact NE2-O 3.12Å; Q102-S333 PolarHBondContact OE1-O 2.82Å; Q102-S333 PolarHBondContact OE1-OG 3.23Å; Q102-C334 PolarHBondContact OE1-O 2.86Å
103L96.3Very high95.7Very high0 Ų047.1 Ų47.10%022%0.223CC..EExtended strand (participates in β ladder)trans-136.3146.8177.6-62.3171.6000110L36 F73 H74 N107 F109 Y110L36-L103 HydrophobicContact CD1-CD1 4.01Å; L36-L103 HydrophobicContact CD2-CD1 4.4Å; L36-L103 HydrophobicContact CD2-CG 4.26Å; L36-L103 HydrophobicContact CG-CD1 3.75Å; L36-L103 HydrophobicContact CG-CG 4.12Å; F73-L103 PolarHBondContact N-O 3.13Å; H74-L103 HydrophobicContact CB-CB 4.24Å; H74-L103 PolarHBondContact N-O 3.08Å; H74-L103 PolarHBondContact O-N 2.98Å; L103-N107 HydrophobicContact CB-CB 4.42Å; L103-F109 HydrophobicContact CD1-CD2 3.61Å; L103-F109 HydrophobicContact CD1-CE2 4.27Å; L103-F109 HydrophobicContact CD2-CD2 3.79Å; L103-F109 HydrophobicContact CD2-CE2 3.61Å; L103-F109 HydrophobicContact CG-CD2 4.36Å; L103-Y110 HydrophobicContact CD1-CD2 3.98Å; L103-Y110 HydrophobicContact CD1-CE2 3.71Å
104P95.6Very high95.3Very high49 Ų4950.6 Ų50.632%0.31825%0.245SC..  trans-68160.416530.9-33.8000111.9D70 K106 N107D70-P104 WeakPolarHBondContact O-CA 3.48Å; P104-K106 VanDerWaalsContact C-N 3.29Å; P104-K106 WeakPolarHBondContact CG-O 3.5Å; P104-K106 PolarHBondContact O-N 2.61Å; P104-N107 PolarHBondContact O-ND2 3.08Å
105R94.4Very high94.7Very high64 Ų6446.6 Ų46.624%0.24224%0.235CC..SBendtrans-52.7-48.9177.3178.457.6173.9-152.21.6111.5F73 N107 Y112F73-R105 HydrophobicContact CB-CB 4.13Å; F73-R105 HydrophobicContact CD1-CB 3.96Å; F73-R105 HydrophobicContact CD1-CG 4.38Å; F73-R105 HydrophobicContact CD2-CB 3.82Å; F73-R105 HydrophobicContact CD2-CG 4.4Å; F73-R105 VanDerWaalsContact CE1-CD 3.44Å; F73-R105 HydrophobicContact CE1-CG 4.47Å; F73-R105 HydrophobicContact CE2-CB 4.31Å; F73-R105 HydrophobicContact CE2-CG 4.39Å; F73-R105 HydrophobicContact CG-CB 3.64Å; F73-R105 HydrophobicContact CG-CG 4.41Å; F73-R105 HydrophobicContact CZ-CG 4.46Å; R105-N107 PolarHBondContact O-N 3.42Å; R105-N107 PolarHBondContact O-ND2 3.01Å; R105-Y112 HydrophobicContact CB-CE2 4.49Å; R105-Y112 HydrophobicContact CG-CD2 3.89Å; R105-Y112 HydrophobicContact CG-CE2 3.52Å; R105-Y112 PolarHBondContact NE-O 2.77Å; R105-Y112 PolarHBondContact NH2-O 3.39Å
106K95.1Very high94.1Very high175 Ų17551 Ų5176%0.76126%0.264SS*.SBendtrans-87.1107.7173.3-175.1177.6-179.2176.40109.3P104 Y112P104-K106 VanDerWaalsContact C-N 3.29Å; P104-K106 WeakPolarHBondContact CG-O 3.5Å; P104-K106 PolarHBondContact O-N 2.61Å; K106-Y112 HydrophobicContact CB-CD2 4.33Å
107N94.3Very high93.3Very high33 Ų3358.3 Ų58.318%0.17630%0.303CS..  trans-140.1177177.96579.6000110.6L103 P104 R105 F109 Y110L103-N107 HydrophobicContact CB-CB 4.42Å; P104-N107 PolarHBondContact O-ND2 3.08Å; R105-N107 PolarHBondContact O-N 3.42Å; R105-N107 PolarHBondContact O-ND2 3.01Å; N107-F109 HydrophobicContact CB-CD2 4.42Å; N107-F109 WeakPolarHBondContact OD1-CB 3.38Å; N107-F109 PolarHBondContact OD1-N 3.17Å; N107-Y110 PolarHBondContact OD1-N 2.87Å
108E93.9Very high92.6Very high95 Ų9563.4 Ų63.444%0.44433%0.331SS..SBendtrans-90.9-7-177.766.3179151.700114.1R39 V133R39-E108 VanDerWaalsContact CZ-CD 3.49Å; R39-E108 IonicContact CZ-OE1 2.72Å; R39-E108 IonicContact CZ-OE2 2.92Å; R39-E108 IonicContact NE-OE1 3.22Å; R39-E108 PolarHBondContact NE-OE1 2.91Å; R39-E108 IonicContact NH1-OE1 2.8Å; R39-E108 PolarHBondContact NH1-OE1 3.16Å; R39-E108 IonicContact NH1-OE2 3.8Å; R39-E108 VanDerWaalsContact NH2-CD 3.33Å; R39-E108 IonicContact NH2-OE1 3.69Å; R39-E108 PolarHBondContact NH2-OE1 3.24Å; R39-E108 IonicContact NH2-OE2 3.63Å; R39-E108 PolarHBondContact NH2-OE2 2.77Å; E108-V133 HydrophobicContact CG-CG1 4.27Å
109F93.3Very high91.8Very high20 Ų2069 Ų699%0.08836%0.357CS..SBendtrans-97.5-31.1-171.7-49.8-65.9000112.8Q38 R39 L103 N107 V133Q38-F109 HydrophobicContact CB-CD1 3.71Å; Q38-F109 HydrophobicContact CB-CE1 3.84Å; Q38-F109 HydrophobicContact CG-CD1 3.91Å; R39-F109 HydrophobicContact CB-CZ 4.32Å; R39-F109 HydrophobicContact CG-CE1 4.01Å; R39-F109 HydrophobicContact CG-CZ 4.05Å; L103-F109 HydrophobicContact CD1-CD2 3.61Å; L103-F109 HydrophobicContact CD1-CE2 4.27Å; L103-F109 HydrophobicContact CD2-CD2 3.79Å; L103-F109 HydrophobicContact CD2-CE2 3.61Å; L103-F109 HydrophobicContact CG-CD2 4.36Å; N107-F109 HydrophobicContact CB-CD2 4.42Å; N107-F109 WeakPolarHBondContact OD1-CB 3.38Å; N107-F109 PolarHBondContact OD1-N 3.17Å; F109-V133 HydrophobicContact CD1-CB 4.02Å; F109-V133 HydrophobicContact CD1-CG1 3.8Å; F109-V133 HydrophobicContact CD1-CG2 4.18Å; F109-V133 HydrophobicContact CE1-CB 4.31Å; F109-V133 HydrophobicContact CE1-CG1 3.76Å
110Y93.7Very high90.8Very high26 Ų2671.3 Ų71.310%0.10237%0.374CS..SBendtrans-131.5155.1-173.5-55.5-72.9000112S22 F25 W35 L36 L103 N107S22-Y110 WeakPolarHBondContact CB-OH 3.28Å; S22-Y110 WeakPolarHBondContact O-CE1 3.46Å; S22-Y110 PolarHBondContact O-OH 2.99Å; F25-Y110 HydrophobicContact CE1-CD1 4.13Å; F25-Y110 AromaticContact CE1-CD2 3.69Å; F25-Y110 HydrophobicContact CE1-CD2 3.69Å; F25-Y110 HydrophobicContact CE1-CE1 4.1Å; F25-Y110 AromaticContact CE1-CE2 3.67Å; F25-Y110 HydrophobicContact CE1-CE2 3.67Å; F25-Y110 AromaticContact CE1-CG 3.91Å; F25-Y110 HydrophobicContact CE1-CG 3.91Å; F25-Y110 AromaticContact CE1-CZ 3.84Å; F25-Y110 AromaticContact CZ-CD1 3.8Å; F25-Y110 HydrophobicContact CZ-CD1 3.8Å; F25-Y110 AromaticContact CZ-CD2 3.81Å; F25-Y110 HydrophobicContact CZ-CD2 3.81Å; F25-Y110 HydrophobicContact CZ-CE1 4.2Å; F25-Y110 HydrophobicContact CZ-CE2 4.21Å; F25-Y110 AromaticContact CZ-CG 3.56Å; F25-Y110 HydrophobicContact CZ-CG 3.56Å; W35-Y110 PolarHBondContact O-OH 3.48Å; L36-Y110 WeakPolarHBondContact CA-OH 3.24Å; L36-Y110 HydrophobicContact CD1-CE2 3.8Å; L36-Y110 WeakPolarHBondContact O-CE2 3.48Å; L36-Y110 PolarHBondContact O-OH 2.89Å; L103-Y110 HydrophobicContact CD1-CD2 3.98Å; L103-Y110 HydrophobicContact CD1-CE2 3.71Å; N107-Y110 PolarHBondContact OD1-N 2.87Å
111S92.6Very high89.2Confident83 Ų8380.7 Ų80.758%0.5842%0.417SS*.  trans-59.9150.8171.6-175.60000111.1D113S111-D113 WeakPolarHBondContact CB-O 3.2Å; S111-D113 PolarHBondContact OG-N 2.92Å; S111-D113 VanDerWaalsContact OG-N 3.16Å; S111-D113 PolarHBondContact OG-O 2.81Å
112Y92.8Very high87.2Confident143 Ų14386 Ų8656%0.56145%0.45SS*.SBendtrans-68.5-28.9169.5-172.9-88.4000111.6R105 K106R105-Y112 HydrophobicContact CB-CE2 4.49Å; R105-Y112 HydrophobicContact CG-CD2 3.89Å; R105-Y112 HydrophobicContact CG-CE2 3.52Å; R105-Y112 PolarHBondContact NE-O 2.77Å; R105-Y112 PolarHBondContact NH2-O 3.39Å; K106-Y112 HydrophobicContact CB-CD2 4.33Å
113D91.9Very high85Confident107 Ų10790.9 Ų90.957%0.57248%0.48SS*.SBendtrans-93.2149179.2-62-51.6000110.5S111S111-D113 WeakPolarHBondContact CB-O 3.2Å; S111-D113 PolarHBondContact OG-N 2.92Å; S111-D113 VanDerWaalsContact OG-N 3.16Å; S111-D113 PolarHBondContact OG-O 2.81Å
114P87.6Confident82.7Confident95 Ų9594 Ų9462%0.61750%0.502SS*.PPolyproline II helixtrans-59.9148.9179.127.4-34.4000111.3
115P85.1Confident80.3Confident42 Ų42101 Ų10127%0.27353%0.527SS..PPolyproline II helixtrans-62.2154.1171.430.1-35.5000110.3Q24Q24-P115 VanDerWaalsContact OE1-CG 3.29Å
116P84.3Confident78.3Confident94 Ų94103.5 Ų103.561%0.6154%0.542SS*.PPolyproline II helixtrans-60.4148.5171-20.632.7000111.9
117D81.1Confident76.8Confident156 Ų15699.5 Ų99.583%0.83453%0.529SS*.SBendtrans-76.8-14.1173.6-63.8-29.7000112.6W18W18-D117 VanDerWaalsContact CH2-O 3.31Å; W18-D117 WeakPolarHBondContact CH2-O 3.45Å
118D84.1Confident75.6Confident130 Ų130103.9 Ų103.970%0.69555%0.552SS**SBendtrans-86.5151.1177-65-52.1000111.5
119E81.2Confident75Confident117 Ų117100.9 Ų100.955%0.54754%0.542SS..PPolyproline II helixtrans-55.7134.4173.9-173.3175.8-168.200110.8W18 Q121W18-E119 HydrophobicContact CD2-CG 4.44Å; W18-E119 HydrophobicContact CG-CG 4.22Å; W18-E119 HydrophobicContact CZ2-CB 4.28Å; E119-Q121 PolarHBondContact O-N 3.21Å; E119-Q121 VanDerWaalsContact O-N 3.08Å
120P77.6Confident74.8Confident59 Ų59102.7 Ų102.738%0.38355%0.552SS.*PPolyproline II helixtrans-56.7116.6-179.8-2432.3000112.3T122P120-T122 PolarHBondContact O-N 2.86Å; P120-T122 VanDerWaalsContact O-N 3.11Å
121Q64.9Low74.7Confident197 Ų197102.4 Ų102.492%0.92155%0.552SS**SBendtrans-61.8-23.2-178.1-64.3-173.8-3.300113.8E119E119-Q121 PolarHBondContact O-N 3.21Å; E119-Q121 VanDerWaalsContact O-N 3.08Å
122T55.7Low74.4Confident111 Ų111102.5 Ų102.568%0.68155%0.552SS**  trans-119.396.117054.70000107.8P120 S124P120-T122 PolarHBondContact O-N 2.86Å; P120-T122 VanDerWaalsContact O-N 3.11Å; T122-S124 PolarHBondContact O-N 3.22Å
123V48.8Very low74.2Confident113 Ų11398.2 Ų98.269%0.68554%0.541SS*.  trans-67.877.3153.6-161.40000105.3K125V123-K125 PolarHBondContact O-N 2.92Å; V123-K125 VanDerWaalsContact O-N 3.1Å
124S47.9Very low74.1Confident64 Ų6495 Ų9545%0.44853%0.527SS..  trans-51.9125160.938.80000104.2T122 E126T122-S124 PolarHBondContact O-N 3.22Å; S124-E126 PolarHBondContact O-N 3.3Å; S124-E126 PolarHBondContact OG-OE1 3.02Å; S124-E126 VanDerWaalsContact OG-OE1 3.09Å
125K46.1Very low74.3Confident197 Ų19792.7 Ų92.786%0.85752%0.52SS*.  trans-67.957173.6-66.3-179177.9179.50108.8V123 D127V123-K125 PolarHBondContact O-N 2.92Å; V123-K125 VanDerWaalsContact O-N 3.1Å; K125-D127 PolarHBondContact O-N 3.02Å
126E52.8Low74.7Confident116 Ų11692.8 Ų92.854%0.54252%0.52SS..  trans-60.6130165.4-70.7-178.1-152.600105.5S124 D128S124-E126 PolarHBondContact O-N 3.3Å; S124-E126 PolarHBondContact OG-OE1 3.02Å; S124-E126 VanDerWaalsContact OG-OE1 3.09Å; E126-D128 VanDerWaalsContact C-N 3.34Å; E126-D128 PolarHBondContact O-N 2.9Å
127D62.6Low75.2Confident92 Ų9293.1 Ų93.149%0.49251%0.512SS..  trans-7096.6-178.5-176.70.1000107.1K125 S129 I130K125-D127 PolarHBondContact O-N 3.02Å; D127-S129 PolarHBondContact O-N 3.32Å; D127-S129 WeakPolarHBondContact OD1-CB 3.23Å; D127-S129 PolarHBondContact OD1-N 3.31Å; D127-S129 VanDerWaalsContact OD1-N 3.12Å; D127-S129 PolarHBondContact OD1-OG 3.2Å; D127-S129 PolarHBondContact OD2-OG 3.49Å; D127-S129 VanDerWaalsContact OD2-OG 3.05Å; D127-I130 PolarHBondContact O-N 3.23Å
128D70.8Confident75.8Confident125 Ų12586.6 Ų86.667%0.66848%0.477SS*.THydrogen-bonded Turntrans-52.8-10.8175.3-73-23.1000112.9E126 I130E126-D128 VanDerWaalsContact C-N 3.34Å; E126-D128 PolarHBondContact O-N 2.9Å; D128-I130 VanDerWaalsContact C-N 3.29Å
129S80.6Confident76.3Confident32 Ų3280.4 Ų80.422%0.22444%0.444CS..THydrogen-bonded Turntrans-81-1.1171.485.70000114.3D127 K137 L138D127-S129 PolarHBondContact O-N 3.32Å; D127-S129 WeakPolarHBondContact OD1-CB 3.23Å; D127-S129 PolarHBondContact OD1-N 3.31Å; D127-S129 VanDerWaalsContact OD1-N 3.12Å; D127-S129 PolarHBondContact OD1-OG 3.2Å; D127-S129 PolarHBondContact OD2-OG 3.49Å; D127-S129 VanDerWaalsContact OD2-OG 3.05Å; S129-K137 CarbonylContact O-C 3.54Å; S129-K137 WeakPolarHBondContact O-CA 3.44Å; S129-L138 PolarHBondContact O-N 2.95Å
130I89.6Confident76.9Confident57 Ų5776.8 Ų76.829%0.29243%0.425SS..BIsolated β-bridgetrans-135.1128.4178.1-49.8-176.9000110.4D127 D128 S132 V136 K137D127-I130 PolarHBondContact O-N 3.23Å; D128-I130 VanDerWaalsContact C-N 3.29Å; I130-S132 PolarHBondContact O-N 2.83Å; I130-V136 WeakPolarHBondContact CA-O 3.35Å; I130-K137 HydrophobicContact CD1-CG 4.48Å; I130-K137 HydrophobicContact CG1-CG 4.25Å
131L90.5Very high77.7Confident20 Ų2074 Ų7411%0.10541%0.407CS..  trans-76.3110.2171.7-63.9-178.4000110.2Q38 L41 V133 S134 G135 V136 L138Q38-L131 HydrophobicContact CB-CB 4.21Å; Q38-L131 HydrophobicContact CB-CD1 4.15Å; Q38-L131 HydrophobicContact CG-CB 4.35Å; Q38-L131 HydrophobicContact CG-CD1 4.45Å; Q38-L131 HydrophobicContact CG-CD2 4.36Å; L41-L131 HydrophobicContact CD1-CD1 3.85Å; L41-L131 HydrophobicContact CD2-CD1 3.71Å; L41-L131 HydrophobicContact CG-CD1 4.45Å; L131-V133 VanDerWaalsContact C-N 3.27Å; L131-V133 PolarHBondContact O-N 3Å; L131-V133 VanDerWaalsContact O-N 3.15Å; L131-S134 WeakPolarHBondContact CB-OG 3.2Å; L131-S134 PolarHBondContact O-N 3.22Å; L131-G135 WeakPolarHBondContact O-CA 3.16Å; L131-G135 PolarHBondContact O-N 3Å; L131-V136 HydrophobicContact CB-CB 4.46Å; L131-V136 HydrophobicContact CD1-CB 4.26Å; L131-V136 PolarHBondContact N-O 2.93Å; L131-L138 HydrophobicContact CD1-CD2 4.13Å; L131-L138 HydrophobicContact CD2-CD1 4.04Å; L131-L138 HydrophobicContact CG-CD1 4.25Å; L131-L138 HydrophobicContact CG-CD2 4.08Å; L131-L138 HydrophobicContact CG-CG 4.31Å
132S87.1Confident79.1Confident85 Ų8564.7 Ų64.759%0.59436%0.364SS*.THydrogen-bonded Turntrans-54.5-35.8-170.8-55.80000114.5I130I130-S132 PolarHBondContact O-N 2.83Å
133V88.8Confident80.9Confident53 Ų5359.4 Ų59.432%0.32133%0.332SS..THydrogen-bonded Turntrans-81.6-34.2-176.51800000112.6Q38 E108 F109 L131Q38-V133 HydrophobicContact CB-CB 4.31Å; E108-V133 HydrophobicContact CG-CG1 4.27Å; F109-V133 HydrophobicContact CD1-CB 4.02Å; F109-V133 HydrophobicContact CD1-CG1 3.8Å; F109-V133 HydrophobicContact CD1-CG2 4.18Å; F109-V133 HydrophobicContact CE1-CB 4.31Å; F109-V133 HydrophobicContact CE1-CG1 3.76Å; L131-V133 VanDerWaalsContact C-N 3.27Å; L131-V133 PolarHBondContact O-N 3Å; L131-V133 VanDerWaalsContact O-N 3.15Å
134S89.3Confident83.1Confident40 Ų4054.3 Ų54.328%0.2830%0.301SS..THydrogen-bonded Turntrans-103.8-14.9-176.163.60000114.4Q38 L131 V136Q38-S134 WeakPolarHBondContact O-CB 3.23Å; Q38-S134 PolarHBondContact O-OG 3.24Å; L131-S134 WeakPolarHBondContact CB-OG 3.2Å; L131-S134 PolarHBondContact O-N 3.22Å; S134-V136 PolarHBondContact O-N 2.98Å; S134-V136 VanDerWaalsContact OG-CG2 3.32Å; S134-V136 WeakPolarHBondContact OG-CG2 2.93Å; S134-V136 PolarHBondContact OG-N 2.86Å
135G91.6Very high85.4Confident46 Ų4652.4 Ų52.447%0.47429%0.287SS..  trans68.310.5-172.700000113.9L131 K137L131-G135 WeakPolarHBondContact O-CA 3.16Å; L131-G135 PolarHBondContact O-N 3Å; G135-K137 PolarHBondContact O-N 3.08Å
136V92.9Very high87.6Confident45 Ų4543.7 Ų43.727%0.27325%0.254SS..PPolyproline II helixtrans-69.3120.7-179.7172.90000109.1I130 L131 S134 L138 P145I130-V136 WeakPolarHBondContact CA-O 3.35Å; L131-V136 HydrophobicContact CB-CB 4.46Å; L131-V136 HydrophobicContact CD1-CB 4.26Å; L131-V136 PolarHBondContact N-O 2.93Å; S134-V136 PolarHBondContact O-N 2.98Å; S134-V136 VanDerWaalsContact OG-CG2 3.32Å; S134-V136 WeakPolarHBondContact OG-CG2 2.93Å; S134-V136 PolarHBondContact OG-N 2.86Å; V136-L138 HydrophobicContact CG1-CD2 4.2Å; V136-P145 HydrophobicContact CG1-CB 4.12Å; V136-P145 HydrophobicContact CG1-CG 4.48Å
137K94.2Very high89.4Confident101 Ų10143.4 Ų43.444%0.43926%0.256SS..BIsolated β-bridgetrans-77.2134.4171.5-59.4-170.9178.2-1740109.7S129 I130 G135 G146 T157S129-K137 CarbonylContact O-C 3.54Å; S129-K137 WeakPolarHBondContact O-CA 3.44Å; I130-K137 HydrophobicContact CD1-CG 4.48Å; I130-K137 HydrophobicContact CG1-CG 4.25Å; G135-K137 PolarHBondContact O-N 3.08Å; K137-G146 WeakPolarHBondContact O-CA 3.15Å; K137-G146 PolarHBondContact O-N 2.88Å; K137-T157 HydrophobicContact CB-CG2 4.04Å
138L94.9Very high90.8Very high18 Ų1843.6 Ų43.69%0.09425%0.252CS..BIsolated β-bridgetrans-96.3151.4-179-57.8-175.8000111L41 S129 L131 V136 W140L41-L138 HydrophobicContact CD2-CD2 4.36Å; S129-L138 PolarHBondContact O-N 2.95Å; L131-L138 HydrophobicContact CD1-CD2 4.13Å; L131-L138 HydrophobicContact CD2-CD1 4.04Å; L131-L138 HydrophobicContact CG-CD1 4.25Å; L131-L138 HydrophobicContact CG-CD2 4.08Å; L131-L138 HydrophobicContact CG-CG 4.31Å; V136-L138 HydrophobicContact CG1-CD2 4.2Å; L138-W140 PolarHBondContact O-N 2.77Å
139C94.9Very high91.8Very high1 Ų139.7 Ų39.71%0.00724%0.237CC..PPolyproline II helixtrans-67.8124.7172.7-178.40000109.4V141 C142 G143 C144 T157 C159C139-V141 PolarHBondContact O-N 3.49Å; C139-C142 PolarHBondContact O-N 2.93Å; C139-G143 WeakPolarHBondContact O-CA 3.18Å; C139-G143 PolarHBondContact O-N 3.41Å; C139-C144 VanDerWaalsContact CB-O 3.22Å; C139-C144 WeakPolarHBondContact CB-O 3.27Å; C139-C144 PolarHBondContact N-O 2.79Å; C139-T157 WeakPolarHBondContact CA-O 3.48Å; C139-C159 HydrophobicContact CB-CB 3.98Å; C139-C159 PolarHBondContact SG-N 3.01Å
140W93.4Very high92.4Very high40 Ų4038.2 Ų38.215%0.15223%0.227CC..THydrogen-bonded Turntrans-56.6-37.1178.3-176.992.5000113K32 L138 V156 T157 H167K32-W140 WeakPolarHBondContact CE-O 3.42Å; K32-W140 PolarHBondContact NZ-O 2.77Å; L138-W140 PolarHBondContact O-N 2.77Å; W140-V156 HydrophobicContact CB-CG1 3.43Å; W140-V156 VanDerWaalsContact CB-CG1 3.43Å; W140-V156 HydrophobicContact CG-CG1 3.85Å; W140-T157 PolarHBondContact N-O 3.43Å; W140-H167 AromaticContact CD2-CE1 3.62Å; W140-H167 AromaticContact CD2-ND1 3.93Å; W140-H167 AromaticContact CD2-NE2 3.79Å; W140-H167 AromaticContact CE2-CE1 3.9Å; W140-H167 AromaticContact CE2-NE2 3.79Å; W140-H167 HydrophobicContact CE3-CB 4.22Å; W140-H167 AromaticContact CE3-CD2 3.49Å; W140-H167 VanDerWaalsContact CE3-CD2 3.49Å; W140-H167 AromaticContact CE3-CE1 3.71Å; W140-H167 AromaticContact CE3-CG 3.56Å; W140-H167 AromaticContact CE3-ND1 3.7Å; W140-H167 AromaticContact CE3-NE2 3.64Å; W140-H167 AromaticContact CH2-CD2 3.63Å; W140-H167 AromaticContact CH2-NE2 3.6Å; W140-H167 AromaticContact CZ2-NE2 3.72Å; W140-H167 HydrophobicContact CZ3-CB 4.36Å; W140-H167 AromaticContact CZ3-CD2 3.22Å; W140-H167 WeakPolarHBondContact CZ3-CD2 3.25Å; W140-H167 AromaticContact CZ3-CG 3.72Å; W140-H167 AromaticContact CZ3-NE2 3.55Å
141V93.5Very high92.5Very high0 Ų039.9 Ų39.90%024%0.244CC..THydrogen-bonded Turntrans-72.3-49.3-177.2176.10000112.5C139 Y158 H163 H167 S187 F189 L190C139-V141 PolarHBondContact O-N 3.49Å; V141-Y158 HydrophobicContact CG2-CD1 4.41Å; V141-Y158 HydrophobicContact CG2-CE1 4.5Å; V141-H163 HydrophobicContact CB-CB 3.87Å; V141-H163 HydrophobicContact CG1-CB 4.12Å; V141-H163 HydrophobicContact CG2-CB 3.85Å; V141-H163 WeakPolarHBondContact CG2-O 3.32Å; V141-H167 HydrophobicContact CG2-CB 3.84Å; V141-S187 WeakPolarHBondContact CG1-OG 3.33Å; V141-S187 WeakPolarHBondContact O-CB 3.17Å; V141-S187 PolarHBondContact O-OG 2.92Å; V141-F189 HydrophobicContact CG1-CB 3.55Å; V141-F189 HydrophobicContact CG1-CD1 3.93Å; V141-F189 HydrophobicContact CG1-CG 3.85Å; V141-L190 WeakPolarHBondContact O-CD2 3.34Å; V141-L190 WeakPolarHBondContact O-CG 3.37Å
142C94.3Very high92.5Very high2 Ų246.6 Ų46.61%0.01427%0.268CS..THydrogen-bonded Turntrans-120.2-8-16868.60000115.5P33 C139 C144 H163 F189P33-C142 WeakPolarHBondContact CD-O 3.44Å; C139-C142 PolarHBondContact O-N 2.93Å; C142-C144 PolarHBondContact O-N 2.79Å; C142-C144 VanDerWaalsContact SG-CB 3.59Å; C142-H163 PolarHBondContact SG-CE1 3.07Å; C142-H163 PolarHBondContact SG-ND1 2.95Å; C142-H163 VanDerWaalsContact SG-ND1 3.37Å; C142-F189 HydrophobicContact CB-CD1 4.18Å; C142-F189 HydrophobicContact CB-CE1 4.13Å
143G94.4Very high92.6Very high1 Ų143.9 Ų43.91%0.0125%0.248CC..SBendtrans74.3-0.2-176.500000115.4W35 C139W35-G143 PolarHBondContact NE1-O 2.93Å; C139-G143 WeakPolarHBondContact O-CA 3.18Å; C139-G143 PolarHBondContact O-N 3.41Å
144C95.7Very high92.7Very high6 Ų647.2 Ų47.24%0.04126%0.26CS..SBendtrans-77.6163173.5-52.60000111.5L47 C139 C142 G146L47-C144 HydrophobicContact CD1-CB 3.92Å; C139-C144 VanDerWaalsContact CB-O 3.22Å; C139-C144 WeakPolarHBondContact CB-O 3.27Å; C139-C144 PolarHBondContact N-O 2.79Å; C142-C144 PolarHBondContact O-N 2.79Å; C142-C144 VanDerWaalsContact SG-CB 3.59Å; C144-G146 PolarHBondContact O-N 2.72Å
145P95.4Very high92.5Very high23 Ų2349.2 Ų49.215%0.14927%0.274CS..BIsolated β-bridgetrans-50.5125.5178.9-29.436.6000113.4L41 V136 C159L41-P145 HydrophobicContact CB-CG 3.47Å; L41-P145 VanDerWaalsContact CB-CG 3.47Å; L41-P145 HydrophobicContact CD2-CG 3.72Å; L41-P145 HydrophobicContact CG-CG 4.24Å; V136-P145 HydrophobicContact CG1-CB 4.12Å; V136-P145 HydrophobicContact CG1-CG 4.48Å; P145-C159 WeakPolarHBondContact O-CA 3.37Å; P145-C159 WeakPolarHBondContact O-CB 3.48Å
146G92.4Very high92.5Very high15 Ų1547.5 Ų47.516%0.15525%0.254CS..PPolyproline II helixtrans-99.1125.3179.400000111.4K137 C144 T157 Y158K137-G146 WeakPolarHBondContact O-CA 3.15Å; K137-G146 PolarHBondContact O-N 2.88Å; C144-G146 PolarHBondContact O-N 2.72Å; G146-T157 VanDerWaalsContact C-CG2 3.44Å; G146-T157 WeakPolarHBondContact O-CG2 3.5Å; G146-Y158 CarbonylContact C-O 3.59Å; G146-Y158 WeakPolarHBondContact CA-O 3.32Å
147N89.8Confident92.6Very high109 Ų10945.9 Ų45.958%0.58325%0.245SC*.  trans-114.2-4.1177.465.76.1000113.4Y158 C159N147-Y158 PolarHBondContact N-O 2.8Å; N147-Y158 VanDerWaalsContact N-O 3.08Å; N147-C159 PolarHBondContact OD1-O 3.37Å
148K91.8Very high92.6Very high96 Ų9641.1 Ų41.142%0.41722%0.224SC..EExtended strand (participates in β ladder)trans-123.5111.3-177.9-75.1169.7-169175.50110.9T157 Y158K148-T157 CarbonylContact O-C 3.57Å; K148-T157 WeakPolarHBondContact O-CA 3.31Å; K148-Y158 PolarHBondContact N-O 2.85Å; K148-Y158 PolarHBondContact O-N 2.75Å
149A93.5Very high92.6Very high43 Ų4340.4 Ų40.436%0.35522%0.221SC..EExtended strand (participates in β ladder)trans-78.3151169.600000110.9S151 V156A149-S151 PolarHBondContact O-N 3.19Å; A149-V156 CarbonylContact C-O 3.53Å; A149-V156 WeakPolarHBondContact CA-O 3.2Å
150C93.3Very high92.6Very high2 Ų240.5 Ų40.51%0.01422%0.222CC..  trans-58122.8169.1-177.10000109.9R152 C153 H154 V156 Y158 H172C150-R152 PolarHBondContact O-N 3.12Å; C150-C153 VanDerWaalsContact CB-SG 3.58Å; C150-H154 VanDerWaalsContact O-CA 3.25Å; C150-H154 WeakPolarHBondContact O-CA 3.36Å; C150-H154 PolarHBondContact O-N 2.92Å; C150-V156 PolarHBondContact N-O 3.39Å; C150-Y158 HydrophobicContact CB-CE2 4.18Å; C150-H172 PolarHBondContact SG-NE2 3.09Å; C150-H172 VanDerWaalsContact SG-NE2 3.38Å
151S91.4Very high92.6Very high92 Ų9246 Ų4664%0.64325%0.246SC*.THydrogen-bonded Turntrans-69.3-3.2-176.665.10000114.8A149A149-S151 PolarHBondContact O-N 3.19Å
152R90Very high92.6Very high161 Ų16149.2 Ų49.261%0.60826%0.262SS*.THydrogen-bonded Turntrans-103-57.9178.3-68.8-175.8-178.7-166.3-0.9111.4C150 C176 L177C150-R152 PolarHBondContact O-N 3.12Å; R152-C176 VanDerWaalsContact CB-SG 3.57Å; R152-L177 HydrophobicContact CB-CD1 4.47Å
153C89.9Confident92.6Very high28 Ų2849.1 Ų49.119%0.18926%0.261CS..THydrogen-bonded Turntrans-97.5-19.3-175.564.20000114.3C150 S155 L177C150-C153 VanDerWaalsContact CB-SG 3.58Å; C153-S155 PolarHBondContact O-N 3.41Å; C153-S155 PolarHBondContact SG-OG 3.43Å; C153-L177 HydrophobicContact CB-CD2 3.85Å; C153-L177 HydrophobicContact CB-CG 4.38Å
154H89.3Confident92.5Very high122 Ų12251.6 Ų51.657%0.56527%0.272SS*.SBendtrans54.25.6-174.1-60.4-83.3000116.3C150C150-H154 VanDerWaalsContact O-CA 3.25Å; C150-H154 WeakPolarHBondContact O-CA 3.36Å; C150-H154 PolarHBondContact O-N 2.92Å
155S86.4Confident92.4Very high83 Ų8354 Ų5458%0.5829%0.286SS*.  trans-87.1-21.4-176.761.40000114.3C153C153-S155 PolarHBondContact O-N 3.41Å; C153-S155 PolarHBondContact SG-OG 3.43Å
156V90.9Very high92.2Very high9 Ų954.6 Ų54.66%0.05529%0.29CS..  trans-118.4137.6-178.2-173.20000109.8W140 A149 C150 Y158W140-V156 HydrophobicContact CB-CG1 3.43Å; W140-V156 VanDerWaalsContact CB-CG1 3.43Å; W140-V156 HydrophobicContact CG-CG1 3.85Å; A149-V156 CarbonylContact C-O 3.53Å; A149-V156 WeakPolarHBondContact CA-O 3.2Å; C150-V156 PolarHBondContact N-O 3.39Å; V156-Y158 HydrophobicContact CB-CE2 4.45Å; V156-Y158 HydrophobicContact CG1-CE1 3.98Å; V156-Y158 HydrophobicContact CG1-CE2 4.21Å
157T94.4Very high92.2Very high11 Ų1154 Ų547%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-111.9148178.7-45.10000111.1K137 C139 W140 G146 K148K137-T157 HydrophobicContact CB-CG2 4.04Å; C139-T157 WeakPolarHBondContact CA-O 3.48Å; W140-T157 PolarHBondContact N-O 3.43Å; G146-T157 VanDerWaalsContact C-CG2 3.44Å; G146-T157 WeakPolarHBondContact O-CG2 3.5Å; K148-T157 CarbonylContact O-C 3.57Å; K148-T157 WeakPolarHBondContact O-CA 3.31Å
158Y95.4Very high92.3Very high1 Ų152 Ų520%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-128.6147.4179.3-53.3-78.5000110.3V141 G146 N147 K148 C150 V156 G160 Q164 H167 H172V141-Y158 HydrophobicContact CG2-CD1 4.41Å; V141-Y158 HydrophobicContact CG2-CE1 4.5Å; G146-Y158 CarbonylContact C-O 3.59Å; G146-Y158 WeakPolarHBondContact CA-O 3.32Å; N147-Y158 PolarHBondContact N-O 2.8Å; N147-Y158 VanDerWaalsContact N-O 3.08Å; K148-Y158 PolarHBondContact N-O 2.85Å; K148-Y158 PolarHBondContact O-N 2.75Å; C150-Y158 HydrophobicContact CB-CE2 4.18Å; V156-Y158 HydrophobicContact CB-CE2 4.45Å; V156-Y158 HydrophobicContact CG1-CE1 3.98Å; V156-Y158 HydrophobicContact CG1-CE2 4.21Å; Y158-G160 VanDerWaalsContact C-N 3.3Å; Y158-Q164 HydrophobicContact CD1-CB 4.15Å; Y158-Q164 HydrophobicContact CD2-CB 3.79Å; Y158-Q164 HydrophobicContact CD2-CG 3.81Å; Y158-Q164 HydrophobicContact CE2-CB 4.19Å; Y158-Q164 HydrophobicContact CE2-CG 3.8Å; Y158-Q164 HydrophobicContact CG-CB 3.77Å; Y158-Q164 HydrophobicContact CG-CG 4.3Å; Y158-H167 HydrophobicContact CE1-CB 3.72Å; Y158-H167 AromaticContact CE1-CG 3.96Å; Y158-H167 AromaticContact CE1-ND1 3.41Å; Y158-H167 WeakPolarHBondContact CE1-ND1 3.41Å; Y158-H167 AromaticContact CZ-ND1 3.55Å; Y158-H167 PolarHBondContact OH-ND1 2.67Å; Y158-H172 PolarHBondContact OH-CD2 2.86Å
159C94.8Very high92.3Very high4 Ų455.7 Ų55.73%0.02728%0.283CS..SBendtrans-66.3-37.4170.464.50000110.3Q44 C139 P145 N147 H163Q44-C159 PolarHBondContact NE2-O 2.91Å; Q44-C159 VanDerWaalsContact NE2-O 3.17Å; Q44-C159 PolarHBondContact NE2-SG 2.88Å; Q44-C159 VanDerWaalsContact NE2-SG 3.37Å; Q44-C159 PolarHBondContact OE1-O 2.78Å; C139-C159 HydrophobicContact CB-CB 3.98Å; C139-C159 PolarHBondContact SG-N 3.01Å; P145-C159 WeakPolarHBondContact O-CA 3.37Å; P145-C159 WeakPolarHBondContact O-CB 3.48Å; N147-C159 PolarHBondContact OD1-O 3.37Å; C159-H163 PolarHBondContact SG-ND1 2.99Å
160G93.8Very high91.9Very high3 Ų358.2 Ų58.23%0.03129%0.288CS..SBendtrans-161.2-178.2-179.800000114.4Y158 H162 H163 Q164Y158-G160 VanDerWaalsContact C-N 3.3Å; G160-H162 VanDerWaalsContact C-N 3.27Å; G160-H162 PolarHBondContact O-N 3.27Å; G160-H163 PolarHBondContact O-N 2.81Å; G160-Q164 PolarHBondContact O-N 2.86Å; G160-Q164 VanDerWaalsContact O-N 3.15Å
161K93.5Very high91.6Very high154 Ų15458.9 Ų58.967%0.6729%0.292SS*.Hα-helixtrans-62.7-33.1-177.7-175.4-179.6177.9-176.30112.5Q164 T165K161-Q164 PolarHBondContact O-N 3.31Å; K161-T165 WeakPolarHBondContact O-CB 3.2Å; K161-T165 PolarHBondContact O-N 2.96Å; K161-T165 PolarHBondContact O-OG1 3.5Å
162H93.8Very high91.6Very high69 Ų6954.7 Ų54.732%0.31926%0.263SS..Hα-helixtrans-59.8-57.6178.5-176.675.8000111P55 G160 Q164 T165 V166P55-H162 HydrophobicContact CG-CB 4.23Å; G160-H162 VanDerWaalsContact C-N 3.27Å; G160-H162 PolarHBondContact O-N 3.27Å; H162-Q164 VanDerWaalsContact C-N 3.34Å; H162-Q164 PolarHBondContact O-N 2.88Å; H162-T165 WeakPolarHBondContact O-CA 3.46Å; H162-T165 WeakPolarHBondContact O-CB 3.32Å; H162-T165 PolarHBondContact O-N 3.09Å; H162-V166 WeakPolarHBondContact O-CG2 3.06Å; H162-V166 PolarHBondContact O-N 2.89Å
163H94.1Very high91.5Very high0 Ų054 Ų540%026%0.264CS..Hα-helixtrans-64.4-33.9178.1-74.4175.2000113.7V141 C142 C159 G160 T165 V166 H167 F189V141-H163 HydrophobicContact CB-CB 3.87Å; V141-H163 HydrophobicContact CG1-CB 4.12Å; V141-H163 HydrophobicContact CG2-CB 3.85Å; V141-H163 WeakPolarHBondContact CG2-O 3.32Å; C142-H163 PolarHBondContact SG-CE1 3.07Å; C142-H163 PolarHBondContact SG-ND1 2.95Å; C142-H163 VanDerWaalsContact SG-ND1 3.37Å; C159-H163 PolarHBondContact SG-ND1 2.99Å; G160-H163 PolarHBondContact O-N 2.81Å; H163-T165 VanDerWaalsContact C-N 3.27Å; H163-T165 PolarHBondContact O-N 2.89Å; H163-V166 PolarHBondContact O-N 3.43Å; H163-H167 PolarHBondContact O-N 3.44Å; H163-F189 AromaticContact CE1-CE1 3.62Å; H163-F189 AromaticContact CE1-CZ 3.94Å; H163-F189 AromaticContact NE2-CD1 3.78Å; H163-F189 AromaticContact NE2-CE1 3.37Å; H163-F189 WeakPolarHBondContact NE2-CE1 2.97Å; H163-F189 AromaticContact NE2-CE2 3.65Å; H163-F189 AromaticContact NE2-CZ 3.3Å; H163-F189 VanDerWaalsContact NE2-CZ 3.3Å; H163-F189 WeakPolarHBondContact NE2-CZ 3.22Å
164Q93.7Very high91.4Very high53 Ų5361.7 Ų61.725%0.24829%0.294CS..Hα-helixtrans-58-43.3170.1-175.4-178.621.200111.4Y158 G160 K161 H162 W168Y158-Q164 HydrophobicContact CD1-CB 4.15Å; Y158-Q164 HydrophobicContact CD2-CB 3.79Å; Y158-Q164 HydrophobicContact CD2-CG 3.81Å; Y158-Q164 HydrophobicContact CE2-CB 4.19Å; Y158-Q164 HydrophobicContact CE2-CG 3.8Å; Y158-Q164 HydrophobicContact CG-CB 3.77Å; Y158-Q164 HydrophobicContact CG-CG 4.3Å; G160-Q164 PolarHBondContact O-N 2.86Å; G160-Q164 VanDerWaalsContact O-N 3.15Å; K161-Q164 PolarHBondContact O-N 3.31Å; H162-Q164 VanDerWaalsContact C-N 3.34Å; H162-Q164 PolarHBondContact O-N 2.88Å; Q164-W168 WeakPolarHBondContact O-CB 3.5Å; Q164-W168 PolarHBondContact O-N 2.84Å
165T93.5Very high91.3Very high55 Ų5557.8 Ų57.834%0.33728%0.276SS..Hα-helixtrans-68.1-41.1179.7-55.70000111.8K161 H162 H163 W168 K169K161-T165 WeakPolarHBondContact O-CB 3.2Å; K161-T165 PolarHBondContact O-N 2.96Å; K161-T165 PolarHBondContact O-OG1 3.5Å; H162-T165 WeakPolarHBondContact O-CA 3.46Å; H162-T165 WeakPolarHBondContact O-CB 3.32Å; H162-T165 PolarHBondContact O-N 3.09Å; H163-T165 VanDerWaalsContact C-N 3.27Å; H163-T165 PolarHBondContact O-N 2.89Å; T165-W168 PolarHBondContact O-N 2.85Å; T165-K169 HydrophobicContact CG2-CD 4.27Å; T165-K169 WeakPolarHBondContact O-CG 3.4Å; T165-K169 PolarHBondContact O-N 2.75Å
166V91.3Very high91.4Very high36 Ų3654.8 Ų54.822%0.21826%0.255CS..Hα-helixtrans-58.3-54175.5172.20000110.2H162 H163 W168 K169 H170H162-V166 WeakPolarHBondContact O-CG2 3.06Å; H162-V166 PolarHBondContact O-N 2.89Å; H163-V166 PolarHBondContact O-N 3.43Å; V166-W168 VanDerWaalsContact C-N 3.34Å; V166-W168 PolarHBondContact O-N 3.29Å; V166-K169 PolarHBondContact O-N 2.85Å; V166-H170 WeakPolarHBondContact O-CB 3.29Å; V166-H170 PolarHBondContact O-N 3Å; V166-H170 VanDerWaalsContact O-N 3.1Å
167H92.2Very high90.9Very high2 Ų260.4 Ų60.41%0.00928%0.284CS..Hα-helixtrans-63.4-39.8179.3-173.2-153.3000112.2W140 V141 Y158 H163 K169 H170 S171 H172W140-H167 AromaticContact CD2-CE1 3.62Å; W140-H167 AromaticContact CD2-ND1 3.93Å; W140-H167 AromaticContact CD2-NE2 3.79Å; W140-H167 AromaticContact CE2-CE1 3.9Å; W140-H167 AromaticContact CE2-NE2 3.79Å; W140-H167 HydrophobicContact CE3-CB 4.22Å; W140-H167 AromaticContact CE3-CD2 3.49Å; W140-H167 VanDerWaalsContact CE3-CD2 3.49Å; W140-H167 AromaticContact CE3-CE1 3.71Å; W140-H167 AromaticContact CE3-CG 3.56Å; W140-H167 AromaticContact CE3-ND1 3.7Å; W140-H167 AromaticContact CE3-NE2 3.64Å; W140-H167 AromaticContact CH2-CD2 3.63Å; W140-H167 AromaticContact CH2-NE2 3.6Å; W140-H167 AromaticContact CZ2-NE2 3.72Å; W140-H167 HydrophobicContact CZ3-CB 4.36Å; W140-H167 AromaticContact CZ3-CD2 3.22Å; W140-H167 WeakPolarHBondContact CZ3-CD2 3.25Å; W140-H167 AromaticContact CZ3-CG 3.72Å; W140-H167 AromaticContact CZ3-NE2 3.55Å; V141-H167 HydrophobicContact CG2-CB 3.84Å; Y158-H167 HydrophobicContact CE1-CB 3.72Å; Y158-H167 AromaticContact CE1-CG 3.96Å; Y158-H167 AromaticContact CE1-ND1 3.41Å; Y158-H167 WeakPolarHBondContact CE1-ND1 3.41Å; Y158-H167 AromaticContact CZ-ND1 3.55Å; Y158-H167 PolarHBondContact OH-ND1 2.67Å; H163-H167 PolarHBondContact O-N 3.44Å; H167-K169 PolarHBondContact O-N 2.98Å; H167-H170 PolarHBondContact O-N 2.99Å; H167-S171 PolarHBondContact CD2-OG 2.82Å; H167-S171 VanDerWaalsContact CD2-OG 3.28Å; H167-S171 PolarHBondContact NE2-OG 3.18Å; H167-S171 PolarHBondContact O-N 3.47Å; H167-H172 AromaticContact CE1-CG 3.66Å; H167-H172 AromaticContact CE1-ND1 3.59Å; H167-H172 AromaticContact ND1-CG 3.77Å; H167-H172 PolarHBondContact O-N 3.47Å
168W91.6Very high89.8Confident69 Ų6962.5 Ų62.526%0.26130%0.299SS..Iπ-helixtrans-59.1-44177.2-172-101000113.1Q164 T165 V166 H172 K173 C176Q164-W168 WeakPolarHBondContact O-CB 3.5Å; Q164-W168 PolarHBondContact O-N 2.84Å; T165-W168 PolarHBondContact O-N 2.85Å; V166-W168 VanDerWaalsContact C-N 3.34Å; V166-W168 PolarHBondContact O-N 3.29Å; W168-H172 HydrophobicContact CE3-CB 4.35Å; W168-H172 AromaticContact CE3-CD2 3.75Å; W168-H172 AromaticContact CZ3-CD2 3.94Å; W168-K173 HydrophobicContact CD2-CB 3.96Å; W168-K173 HydrophobicContact CE3-CB 4.38Å; W168-K173 HydrophobicContact CG-CB 4.37Å; W168-K173 HydrophobicContact CH2-CB 4.41Å; W168-K173 HydrophobicContact CH2-CG 4.37Å; W168-K173 HydrophobicContact CZ2-CB 4.01Å; W168-K173 HydrophobicContact CZ2-CD 4.39Å; W168-K173 HydrophobicContact CZ2-CG 3.74Å; W168-K173 VanDerWaalsContact O-CB 3.28Å; W168-K173 WeakPolarHBondContact O-CB 3.25Å; W168-K173 PolarHBondContact O-N 3.39Å; W168-C176 HydrophobicContact CZ3-CB 4.05Å
169K90.9Very high88Confident172 Ų17267.9 Ų67.975%0.74834%0.344SS*.Iπ-helixtrans-70-35.4178.4-72.9178.9178.7-177.40112.3T165 V166 H167T165-K169 HydrophobicContact CG2-CD 4.27Å; T165-K169 WeakPolarHBondContact O-CG 3.4Å; T165-K169 PolarHBondContact O-N 2.75Å; V166-K169 PolarHBondContact O-N 2.85Å; H167-K169 PolarHBondContact O-N 2.98Å
170H85.7Confident85.9Confident97 Ų9770.8 Ų70.845%0.44937%0.368SS..Iπ-helixtrans-75.4-58.7-175.7-173.269.3000112.5V166 H167V166-H170 WeakPolarHBondContact O-CB 3.29Å; V166-H170 PolarHBondContact O-N 3Å; V166-H170 VanDerWaalsContact O-N 3.1Å; H167-H170 PolarHBondContact O-N 2.99Å
171S88.1Confident84Confident15 Ų1577.5 Ų77.511%0.10540%0.403CS..Iπ-helixtrans-145.4-37.5-170.256.80000113.8H167 K173 K174 E175H167-S171 PolarHBondContact CD2-OG 2.82Å; H167-S171 VanDerWaalsContact CD2-OG 3.28Å; H167-S171 PolarHBondContact NE2-OG 3.18Å; H167-S171 PolarHBondContact O-N 3.47Å; S171-K173 PolarHBondContact O-N 3.41Å; S171-K174 PolarHBondContact O-N 3.4Å; S171-E175 WeakPolarHBondContact CB-OE1 3.17Å; S171-E175 PolarHBondContact O-N 2.79Å
172H89.6Confident82.1Confident5 Ų573.8 Ų73.82%0.02339%0.394CS..Iπ-helixtrans-60.8-29.8-167.8-164.151.5000114.2C150 Y158 H167 W168 K174 E175 C176C150-H172 PolarHBondContact SG-NE2 3.09Å; C150-H172 VanDerWaalsContact SG-NE2 3.38Å; Y158-H172 PolarHBondContact OH-CD2 2.86Å; H167-H172 AromaticContact CE1-CG 3.66Å; H167-H172 AromaticContact CE1-ND1 3.59Å; H167-H172 AromaticContact ND1-CG 3.77Å; H167-H172 PolarHBondContact O-N 3.47Å; W168-H172 HydrophobicContact CE3-CB 4.35Å; W168-H172 AromaticContact CE3-CD2 3.75Å; W168-H172 AromaticContact CZ3-CD2 3.94Å; H172-K174 PolarHBondContact O-N 2.86Å; H172-K174 VanDerWaalsContact O-N 3.16Å; H172-E175 PolarHBondContact O-N 2.75Å; H172-E175 VanDerWaalsContact O-N 3.15Å; H172-C176 VanDerWaalsContact O-CB 3.22Å; H172-C176 WeakPolarHBondContact O-CB 3.46Å; H172-C176 PolarHBondContact O-N 2.67Å
173K89.2Confident80Confident146 Ų14673.3 Ų73.364%0.63540%0.399SS*.Hα-helixtrans-56.7-31.9177.9-178.8177.4179.7-173.30112.7W168 S171W168-K173 HydrophobicContact CD2-CB 3.96Å; W168-K173 HydrophobicContact CE3-CB 4.38Å; W168-K173 HydrophobicContact CG-CB 4.37Å; W168-K173 HydrophobicContact CH2-CB 4.41Å; W168-K173 HydrophobicContact CH2-CG 4.37Å; W168-K173 HydrophobicContact CZ2-CB 4.01Å; W168-K173 HydrophobicContact CZ2-CD 4.39Å; W168-K173 HydrophobicContact CZ2-CG 3.74Å; W168-K173 VanDerWaalsContact O-CB 3.28Å; W168-K173 WeakPolarHBondContact O-CB 3.25Å; W168-K173 PolarHBondContact O-N 3.39Å; S171-K173 PolarHBondContact O-N 3.41Å
174K87.4Confident78.1Confident189 Ų18978.6 Ų78.682%0.82244%0.442SS*.Hα-helixtrans-89.5-26.7179.5-61.7178.1-176.41740112.6S171 H172S171-K174 PolarHBondContact O-N 3.4Å; H172-K174 PolarHBondContact O-N 2.86Å; H172-K174 VanDerWaalsContact O-N 3.16Å
175E87.1Confident76.4Confident40 Ų4077.7 Ų77.719%0.18744%0.444CS..Hα-helixtrans-92-21.5-176.1-62.1169.1177.100113S171 H172 L177 S178 S183S171-E175 WeakPolarHBondContact CB-OE1 3.17Å; S171-E175 PolarHBondContact O-N 2.79Å; H172-E175 PolarHBondContact O-N 2.75Å; H172-E175 VanDerWaalsContact O-N 3.15Å; E175-L177 PolarHBondContact O-N 2.84Å; E175-L177 VanDerWaalsContact O-N 3.15Å; E175-S178 PolarHBondContact O-N 2.63Å; E175-S178 PolarHBondContact O-OG 3.18Å; E175-S183 WeakPolarHBondContact OE1-CB 3.18Å
176C87.8Confident75.3Confident20 Ų2079.3 Ų79.314%0.13546%0.463CS..THydrogen-bonded Turntrans-61.8120.4-177.1-168.90000110.6R152 W168 H172 S178R152-C176 VanDerWaalsContact CB-SG 3.57Å; W168-C176 HydrophobicContact CZ3-CB 4.05Å; H172-C176 VanDerWaalsContact O-CB 3.22Å; H172-C176 WeakPolarHBondContact O-CB 3.46Å; H172-C176 PolarHBondContact O-N 2.67Å; C176-S178 VanDerWaalsContact C-N 3.26Å; C176-S178 PolarHBondContact O-N 2.7Å
177L81.1Confident74.8Confident128 Ų12878.1 Ų78.167%0.6746%0.456SS*.THydrogen-bonded Turntrans70.79.5-177.1-52.7169000115.3R152 C153 E175R152-L177 HydrophobicContact CB-CD1 4.47Å; C153-L177 HydrophobicContact CB-CD2 3.85Å; C153-L177 HydrophobicContact CB-CG 4.38Å; E175-L177 PolarHBondContact O-N 2.84Å; E175-L177 VanDerWaalsContact O-N 3.15Å
178S71.3Confident74.2Confident54 Ų5481.5 Ų81.538%0.37848%0.478SS..  trans-79.2150.8166.8760000109.9E175 C176 A180E175-S178 PolarHBondContact O-N 2.63Å; E175-S178 PolarHBondContact O-OG 3.18Å; C176-S178 VanDerWaalsContact C-N 3.26Å; C176-S178 PolarHBondContact O-N 2.7Å; S178-A180 PolarHBondContact O-N 3.03Å; S178-A180 WeakPolarHBondContact OG-CB 3.4Å; S178-A180 PolarHBondContact OG-N 3.03Å
179A56.8Low74.1Confident115 Ų11579.1 Ų79.195%0.9547%0.47SS*.SBendtrans-72.84.617000000112.5
180A51.7Low74.2Confident64 Ų6472.5 Ų72.553%0.52944%0.442SS..SBendtrans-76.4134.5176.100000108.8S178S178-A180 PolarHBondContact O-N 3.03Å; S178-A180 WeakPolarHBondContact OG-CB 3.4Å; S178-A180 PolarHBondContact OG-N 3.03Å
181L53.4Low74.6Confident145 Ų14568.1 Ų68.176%0.75942%0.422SS*.PPolyproline II helixtrans-53.2145.5167.7-72.9159.8000109S183L181-S183 PolarHBondContact O-N 3.47Å; L181-S183 VanDerWaalsContact O-N 3.1Å
182P53.5Low74.8Confident76 Ų7670.2 Ų70.249%0.49444%0.435SS..PPolyproline II helixtrans-47.8124.7169.1-20.729.5000108.2A184P182-A184 PolarHBondContact O-N 3.16Å
183S50.6Low75.1Confident59 Ų5973.7 Ų73.741%0.41345%0.451SS..PPolyproline II helixtrans-57.8137.1178.4-176.60000108.7E175 L181 A185E175-S183 WeakPolarHBondContact OE1-CB 3.18Å; L181-S183 PolarHBondContact O-N 3.47Å; L181-S183 VanDerWaalsContact O-N 3.1Å; S183-A185 PolarHBondContact O-N 3.2Å; S183-A185 PolarHBondContact OG-N 2.65Å
184A53.7Low75.4Confident111 Ų11167.9 Ų67.992%0.91743%0.429SS*.  trans-67.822.3170.800000112.5P182 A186P182-A184 PolarHBondContact O-N 3.16Å; A184-A186 PolarHBondContact O-N 2.75Å
185A57.6Low75.9Confident34 Ų3460.4 Ų60.428%0.28140%0.397SS..PPolyproline II helixtrans-63.9122.5177.700000109.4S183 S187S183-A185 PolarHBondContact O-N 3.2Å; S183-A185 PolarHBondContact OG-N 2.65Å; A185-S187 PolarHBondContact O-N 2.84Å
186A70.9Confident76.4Confident89 Ų8958.8 Ų58.874%0.73639%0.39SS*.PPolyproline II helixtrans-57.5135.6174.200000110A184A184-A186 PolarHBondContact O-N 2.75Å
187S80.8Confident76.9Confident10 Ų1059.1 Ų59.17%0.0739%0.391CS..PPolyproline II helixtrans-67.6128177.1-176.50000109.6V141 A185 F189 L190V141-S187 WeakPolarHBondContact CG1-OG 3.33Å; V141-S187 WeakPolarHBondContact O-CB 3.17Å; V141-S187 PolarHBondContact O-OG 2.92Å; A185-S187 PolarHBondContact O-N 2.84Å; S187-F189 PolarHBondContact O-N 2.94Å; S187-F189 PolarHBondContact OG-N 2.95Å; S187-L190 PolarHBondContact O-N 3.21Å; S187-L190 VanDerWaalsContact O-N 3.07Å
188P80.4Confident77.5Confident74 Ų7457 Ų5748%0.48138%0.384SS..THydrogen-bonded Turntrans-65.4-8.9176.329.4-37000112.7
189F88.8Confident78.7Confident19 Ų1959.4 Ų59.48%0.08339%0.389CS..THydrogen-bonded Turntrans-78.9-28175.7-173-101.6000112.7V57 K83 V141 C142 H163 S187V57-F189 HydrophobicContact CB-CD1 4.26Å; V57-F189 HydrophobicContact CB-CE1 3.54Å; V57-F189 HydrophobicContact CB-CZ 3.8Å; V57-F189 HydrophobicContact CG2-CD1 3.98Å; V57-F189 HydrophobicContact CG2-CE1 3.73Å; V57-F189 HydrophobicContact CG2-CZ 4.41Å; V57-F189 WeakPolarHBondContact CG2-O 3.12Å; K83-F189 HydrophobicContact CD-CD2 4.09Å; K83-F189 HydrophobicContact CD-CE2 4.03Å; K83-F189 HydrophobicContact CD-CZ 4.44Å; K83-F189 WeakPolarHBondContact CD-O 3.41Å; K83-F189 WeakPolarHBondContact CE-O 3.24Å; K83-F189 HydrophobicContact CG-CE2 4.4Å; K83-F189 PolarHBondContact NZ-O 2.87Å; V141-F189 HydrophobicContact CG1-CB 3.55Å; V141-F189 HydrophobicContact CG1-CD1 3.93Å; V141-F189 HydrophobicContact CG1-CG 3.85Å; C142-F189 HydrophobicContact CB-CD1 4.18Å; C142-F189 HydrophobicContact CB-CE1 4.13Å; H163-F189 AromaticContact CE1-CE1 3.62Å; H163-F189 AromaticContact CE1-CZ 3.94Å; H163-F189 AromaticContact NE2-CD1 3.78Å; H163-F189 AromaticContact NE2-CE1 3.37Å; H163-F189 WeakPolarHBondContact NE2-CE1 2.97Å; H163-F189 AromaticContact NE2-CE2 3.65Å; H163-F189 AromaticContact NE2-CZ 3.3Å; H163-F189 VanDerWaalsContact NE2-CZ 3.3Å; H163-F189 WeakPolarHBondContact NE2-CZ 3.22Å; S187-F189 PolarHBondContact O-N 2.94Å; S187-F189 PolarHBondContact OG-N 2.95Å
190L92.7Very high80.4Confident32 Ų3257.7 Ų57.717%0.16837%0.368CS..SBendtrans-79.6158.2-176.7-61.4177.2000111.3G31 K32 V57 V141 S187G31-L190 VanDerWaalsContact O-CD2 3.32Å; G31-L190 WeakPolarHBondContact O-CD2 3.35Å; K32-L190 HydrophobicContact CG-CD1 3.8Å; V57-L190 HydrophobicContact CG2-CD2 4.41Å; V141-L190 WeakPolarHBondContact O-CD2 3.34Å; V141-L190 WeakPolarHBondContact O-CG 3.37Å; S187-L190 PolarHBondContact O-N 3.21Å; S187-L190 VanDerWaalsContact O-N 3.07Å
191F94.1Very high82.3Confident6 Ų656.1 Ų56.13%0.02635%0.35CS..PPolyproline II helixtrans-81.9156.9164.6-62.3-59.6000110.1G31 V57 F58 L59 K83 E193 L311 V313 I320G31-F191 PolarHBondContact N-O 2.86Å; V57-F191 HydrophobicContact CB-CE2 4.42Å; V57-F191 HydrophobicContact CG1-CD2 4.18Å; V57-F191 HydrophobicContact CG1-CE2 3.35Å; V57-F191 HydrophobicContact CG1-CZ 3.69Å; V57-F191 HydrophobicContact CG2-CD2 4.24Å; V57-F191 HydrophobicContact CG2-CE2 4.22Å; F58-F191 WeakPolarHBondContact O-CD2 3.13Å; L59-F191 HydrophobicContact CD1-CD2 4.09Å; L59-F191 HydrophobicContact CD1-CE2 3.84Å; K83-F191 HydrophobicContact CG-CZ 4.44Å; F191-E193 PolarHBondContact O-N 3.22Å; F191-L311 HydrophobicContact CB-CD2 4.06Å; F191-L311 HydrophobicContact CD1-CB 3.75Å; F191-L311 HydrophobicContact CD1-CD2 3.89Å; F191-L311 HydrophobicContact CD1-CG 4.24Å; F191-L311 WeakPolarHBondContact CD1-O 3.38Å; F191-L311 HydrophobicContact CD2-CD2 4.03Å; F191-L311 HydrophobicContact CE1-CB 3.88Å; F191-L311 HydrophobicContact CE1-CD1 4.13Å; F191-L311 HydrophobicContact CE1-CD2 4.3Å; F191-L311 HydrophobicContact CE1-CG 4.32Å; F191-L311 HydrophobicContact CE2-CD2 4.41Å; F191-L311 HydrophobicContact CG-CB 4.48Å; F191-L311 HydrophobicContact CG-CD2 3.74Å; F191-L311 HydrophobicContact CZ-CD1 4.16Å; F191-V313 HydrophobicContact CE1-CG2 4.03Å; F191-I320 HydrophobicContact CE1-CD1 4Å; F191-I320 HydrophobicContact CZ-CD1 3.68Å
192P93.4Very high83.7Confident58 Ų5858 Ų5838%0.37736%0.355SS..PPolyproline II helixtrans-50.1139.8168.7-24.734.8000111G30 C312G30-P192 WeakPolarHBondContact CA-O 3.41Å; P192-C312 HydrophobicContact CG-CB 4.08Å
193E94.6Very high84.2Confident78 Ų7858.4 Ų58.436%0.36437%0.373SS..PPolyproline II helixtrans-97.9129.8-174.8-168.4175.4-11200110.2L20 K28 V29 G31 F191L20-E193 HydrophobicContact CD1-CG 3.64Å; K28-E193 VanDerWaalsContact CE-OE1 3.28Å; K28-E193 WeakPolarHBondContact CE-OE1 3.25Å; K28-E193 IonicContact NZ-OE1 2.64Å; K28-E193 PolarHBondContact NZ-OE1 3.12Å; V29-E193 VanDerWaalsContact O-CA 3.31Å; V29-E193 WeakPolarHBondContact O-CA 3.21Å; G31-E193 WeakPolarHBondContact CA-OE1 3.45Å; F191-E193 PolarHBondContact O-N 3.22Å
194S96.6Very high84.3Confident25 Ų2557.8 Ų57.818%0.17538%0.375CS..EExtended strand (participates in β ladder)trans-150.3151-179.1-51.90000110.9E13 K28 V29E13-S194 WeakPolarHBondContact O-CB 3.45Å; K28-S194 VanDerWaalsContact CA-O 3.27Å; K28-S194 WeakPolarHBondContact CA-O 3.07Å; K28-S194 VanDerWaalsContact CB-O 3.26Å; K28-S194 WeakPolarHBondContact CB-O 3.27Å; V29-S194 PolarHBondContact N-O 3.18Å; V29-S194 PolarHBondContact O-N 2.98Å
195E97.8Very high83.7Confident31 Ų3160.7 Ų60.715%0.14537%0.37CS..EExtended strand (participates in β ladder)trans-72141.1172.9-171.8168.8-15900109.5L12 E13 A15 R19 L20 V197L12-E195 WeakPolarHBondContact CA-O 3.24Å; E13-E195 PolarHBondContact N-O 2.96Å; E13-E195 PolarHBondContact O-N 3.37Å; A15-E195 HydrophobicContact CB-CB 3.68Å; R19-E195 IonicContact CZ-OE1 3.33Å; R19-E195 IonicContact CZ-OE2 3.23Å; R19-E195 IonicContact NH1-OE1 2.73Å; R19-E195 IonicContact NH1-OE2 3Å; R19-E195 PolarHBondContact NH1-OE2 2.77Å; R19-E195 IonicContact NH2-OE1 3.31Å; R19-E195 PolarHBondContact NH2-OE1 2.95Å; R19-E195 IonicContact NH2-OE2 2.89Å; R19-E195 PolarHBondContact NH2-OE2 2.71Å; L20-E195 HydrophobicContact CD2-CB 3.99Å; L20-E195 HydrophobicContact CD2-CG 4.36Å; E195-V197 HydrophobicContact CG-CG1 4.01Å
196L97.8Very high83.2Confident6 Ų665.6 Ų65.63%0.03139%0.387CS..EExtended strand (participates in β ladder)trans-10196.8170.2-177.980.5000108.2F11 L12 S27 V62 I266F11-L196 CarbonylContact O-C 3.59Å; F11-L196 WeakPolarHBondContact O-CA 3.39Å; L12-L196 HydrophobicContact CD2-CD1 3.95Å; S27-L196 WeakPolarHBondContact CB-O 3.31Å; S27-L196 PolarHBondContact O-N 2.77Å; V62-L196 HydrophobicContact CG2-CD2 4.18Å; L196-I266 HydrophobicContact CD1-CD1 4.29Å; L196-I266 HydrophobicContact CD1-CG1 4.22Å; L196-I266 HydrophobicContact CD2-CB 4.42Å; L196-I266 HydrophobicContact CD2-CD1 3.48Å; L196-I266 VanDerWaalsContact CD2-CD1 3.48Å; L196-I266 HydrophobicContact CD2-CG1 4.16Å
197V97.2Very high81.6Confident28 Ų2872 Ų7217%0.1739%0.392CS..EExtended strand (participates in β ladder)trans-83.8152.9174.9-62.50000110.2G10 F11 E13 E195G10-V197 CarbonylContact C-O 3.48Å; G10-V197 VanDerWaalsContact CA-O 3.25Å; G10-V197 WeakPolarHBondContact CA-O 3.2Å; F11-V197 HydrophobicContact CB-CG2 4Å; F11-V197 PolarHBondContact N-O 3.45Å; F11-V197 PolarHBondContact O-N 2.91Å; E13-V197 HydrophobicContact CB-CG1 4.28Å; E13-V197 HydrophobicContact CG-CG1 4.21Å; E13-V197 HydrophobicContact CG-CG2 3.72Å; E195-V197 HydrophobicContact CG-CG1 4.01Å
198T95.1Very high79.4Confident84 Ų8478.2 Ų78.252%0.51543%0.425SS..EExtended strand (participates in β ladder)trans-129.5136.9-172.156.60000112.8V8 L9V8-T198 HydrophobicContact CG1-CG2 4.09Å; L9-T198 CarbonylContact O-C 3.44Å; L9-T198 WeakPolarHBondContact O-CA 3.18Å
199E94.6Very high77.2Confident103 Ų10382.6 Ų82.648%0.48144%0.444SS..EExtended strand (participates in β ladder)trans-133.5142.5178.5-55.9-175.8159.500110.2V8 L9 F11V8-E199 CarbonylContact C-O 3.52Å; L9-E199 PolarHBondContact N-O 2.8Å; L9-E199 PolarHBondContact O-N 2.67Å; F11-E199 HydrophobicContact CD2-CG 4.35Å; F11-E199 HydrophobicContact CE2-CB 4.16Å; F11-E199 HydrophobicContact CE2-CG 4.26Å
200P93.8Very high74.9Confident80 Ų8085.5 Ų85.552%0.51947%0.472SS..EExtended strand (participates in β ladder)trans-60144.1174.5-21.933.4000112.1E202P200-E202 PolarHBondContact O-N 2.93Å
201E91.4Very high72.5Confident31 Ų3192.9 Ų92.915%0.14551%0.505CS..  trans-70.2113.5172.7-177.7171-126.900110.6V7 L9 K257 R267V7-E201 HydrophobicContact CB-CB 4.1Å; V7-E201 HydrophobicContact CG1-CB 4.24Å; V7-E201 WeakPolarHBondContact O-CB 3.47Å; V7-E201 PolarHBondContact O-N 3.06Å; L9-E201 HydrophobicContact CD1-CB 4.3Å; L9-E201 HydrophobicContact CD1-CG 4.36Å; L9-E201 HydrophobicContact CD2-CB 4.2Å; L9-E201 HydrophobicContact CD2-CG 4.48Å; L9-E201 HydrophobicContact CG-CB 4.07Å; E201-K257 WeakPolarHBondContact OE1-CE 3.38Å; E201-K257 WeakPolarHBondContact OE2-CE 3.15Å; E201-K257 IonicContact OE2-NZ 2.67Å; E201-R267 IonicContact OE1-CZ 3.08Å; E201-R267 IonicContact OE1-NH1 3.2Å; E201-R267 PolarHBondContact OE1-NH1 3.08Å; E201-R267 IonicContact OE1-NH2 3.01Å; E201-R267 PolarHBondContact OE1-NH2 3.31Å; E201-R267 IonicContact OE2-CZ 2.67Å; E201-R267 IonicContact OE2-NH2 2.75Å; E201-R267 PolarHBondContact OE2-NH2 2.96Å
202E82.3Confident69.5Low184 Ų184104 Ų10486%0.8655%0.547SS*.THydrogen-bonded Turntrans-70.9130174.5-61.1-167.6164.100111.3P200P200-E202 PolarHBondContact O-N 2.93Å
203G64.6Low66.8Low84 Ų84105.2 Ų105.287%0.86657%0.57SS**THydrogen-bonded Turntrans89.525.7166.500000117.8E205G203-E205 PolarHBondContact O-N 2.85Å
204G52Low63.6Low46 Ų46105.2 Ų105.247%0.47459%0.592SS.*  trans-8735.4-174.400000118.7E206G204-E206 VanDerWaalsContact C-N 3.31Å; G204-E206 PolarHBondContact O-N 2.93Å; G204-E206 VanDerWaalsContact O-N 3.13Å
205E42Very low60.4Low172 Ų172107.9 Ų107.980%0.80462%0.623SS**  trans-82.480.3164.5-74.5-168.3-175.400110G203 R207G203-E205 PolarHBondContact O-N 2.85Å; E205-R207 PolarHBondContact O-N 2.81Å; E205-R207 VanDerWaalsContact O-N 3.11Å
206E46.6Very low57.1Low138 Ų138109.9 Ų109.965%0.64565%0.652SS**  trans-70.6101.9159.9-75179.8-159.200107.8G204 D208 K257G204-E206 VanDerWaalsContact C-N 3.31Å; G204-E206 PolarHBondContact O-N 2.93Å; G204-E206 VanDerWaalsContact O-N 3.13Å; E206-D208 PolarHBondContact O-N 3.4Å; E206-K257 WeakPolarHBondContact OE1-CE 3.35Å; E206-K257 IonicContact OE1-NZ 3.18Å; E206-K257 PolarHBondContact OE1-NZ 3.22Å
207R37.6Very low53.9Low223 Ų223119 Ų11984%0.84269%0.694SS**  trans-62.7112.8156.1-68.5-179.9-177.6-169.70.3105.9E205 D209E205-R207 PolarHBondContact O-N 2.81Å; E205-R207 VanDerWaalsContact O-N 3.11Å; R207-D209 PolarHBondContact O-N 2.79Å
208D33.7Very low50.8Low140 Ų140126 Ų12675%0.74973%0.725SS**  trans-49.7101.4171.9-84.5-39.4000109.4E206 A210E206-D208 PolarHBondContact O-N 3.4Å; D208-A210 PolarHBondContact O-N 3.36Å
209D35.5Very low47.7Very low166 Ų166129.4 Ų129.489%0.88874%0.735SS**  trans-80.939.3175.1-135.8-9000110.8R207R207-D209 PolarHBondContact O-N 2.79Å
210A39.9Very low44.6Very low80 Ų80134 Ų13466%0.66176%0.757SS**  trans-112.134.6-179.600000111.1D208D208-A210 PolarHBondContact O-N 3.36Å
211Q41Very low41.7Very low188 Ų188140.3 Ų140.388%0.87977%0.77SS**  trans-158.573.8163.5-140136.829.900113.5
212R32.6Very low38.8Very low238 Ų238144.3 Ų144.390%0.89880%0.802SS**  trans-142.358.6153.4-142.6169.7-172.1-117.7-1112.3
213G35.2Very low36.7Very low84 Ų84141.3 Ų141.387%0.86680%0.796SS**  trans-84.8119152.200000109.1
214G29.4Very low35.3Very low79 Ų79146 Ų14681%0.81480%0.795SS**  trans126.8113.5161.200000115.4
215G27.6Very low34.7Very low81 Ų81151.5 Ų151.584%0.83581%0.814SS**  trans129.789.9158.600000113
216G29.3Very low34.6Very low73 Ų73147 Ų14775%0.75380%0.8SS**  trans-71.6161.4164.900000111.7
217E30.5Very low34.8Very low196 Ų196144 Ų14492%0.91679%0.794SS**  -171.9147.9128.4-100.4168.3-164.700109.9
218E31.4Very low35.2Very low175 Ų175140.3 Ų140.382%0.81879%0.79SS**  trans-49.8163.9175.4-60.4155.8171.800111.8
219E30.7Very low36Very low156 Ų156136.9 Ų136.973%0.72978%0.781SS**  cis-176.2141.622.6-139.6176.1161.200105.3
220Q28.9Very low36.5Very low200 Ų200133.4 Ų133.494%0.93576%0.762SS**  -168120.1130-113.5170.311.600112.1
221R34.2Very low37.1Very low213 Ų213132.8 Ų132.880%0.80475%0.751SS**  trans-91.4114.8-173.4-157.3176.276.6-138.44.3108.9
222S29.6Very low37.5Very low115 Ų115129.2 Ų129.280%0.80474%0.737SS**  trans-111.9109.2160.550.10000108.3E224S222-E224 PolarHBondContact O-N 3.26Å
223T37.6Very low38.6Very low120 Ų120120 Ų12074%0.73671%0.712SS**  trans-73107.5177.640.70000110.4
224E35.9Very low39.4Very low182 Ų182121.7 Ų121.785%0.8570%0.697SS**  trans-131.1132.1153.4-66-167.8159.700107.8S222 P226S222-E224 PolarHBondContact O-N 3.26Å; E224-P226 WeakPolarHBondContact O-CD 3.45Å
225D39Very low40.5Very low163 Ų163120.2 Ų120.287%0.87268%0.677SS**  trans-73.1115.1-168.4-166.918.4000110.4
226P41.4Very low41.8Very low78 Ų78121.1 Ų121.151%0.50666%0.663SS.*  trans-76.8132176.9-2.919.8000109.3E224 D230E224-P226 WeakPolarHBondContact O-CD 3.45Å; P226-D230 HydrophobicContact CB-CB 4.48Å
227S50.5Low42.9Very low73 Ų73123 Ų12351%0.5166%0.655SS.*  trans-66.6153.2174.391.40000110.8A229 D230S227-A229 PolarHBondContact O-N 2.86Å; S227-A229 PolarHBondContact OG-N 2.84Å; S227-D230 PolarHBondContact O-N 2.84Å
228L45.9Very low43.9Very low147 Ų147119.9 Ų119.977%0.7764%0.641SS**THydrogen-bonded Turntrans-54.1-17.9179.5-140.381.1000114.5T231 L232L228-T231 PolarHBondContact O-OG1 3.23Å; L228-L232 WeakPolarHBondContact O-CD1 3.39Å; L228-L232 WeakPolarHBondContact O-CG 3.45Å
229A50.3Low44.7Very low67 Ų67117.7 Ų117.755%0.55463%0.63SS**THydrogen-bonded Turntrans-83.2-29.4177.100000113.4S227 A233S227-A229 PolarHBondContact O-N 2.86Å; S227-A229 PolarHBondContact OG-N 2.84Å; A229-A233 PolarHBondContact O-N 2.98Å
230D46.6Very low45.7Very low94 Ų94117 Ų11750%0.50363%0.629SS.*Hα-helixtrans-73.2-38175.6-94-23.6000110.9P226 S227 L232 A233 E234P226-D230 HydrophobicContact CB-CB 4.48Å; S227-D230 PolarHBondContact O-N 2.84Å; D230-L232 PolarHBondContact O-N 2.96Å; D230-A233 PolarHBondContact O-N 3.32Å; D230-E234 WeakPolarHBondContact O-CB 3.05Å; D230-E234 WeakPolarHBondContact O-CG 3.45Å; D230-E234 PolarHBondContact O-N 3.47Å
231T51.1Low46.6Very low67 Ų67110.5 Ų110.541%0.41161%0.609SS.*Hα-helixtrans-66.2-25.6175.950.60000113.4L228 A235L228-T231 PolarHBondContact O-OG1 3.23Å; T231-A235 WeakPolarHBondContact O-CB 3.16Å; T231-A235 PolarHBondContact O-N 3.29Å
232L50Low47.4Very low112 Ų112107.1 Ų107.159%0.58661%0.606SS**Hα-helixtrans-80.7-35.9175-75.7163.9000111.4L228 D230 D236L228-L232 WeakPolarHBondContact O-CD1 3.39Å; L228-L232 WeakPolarHBondContact O-CG 3.45Å; D230-L232 PolarHBondContact O-N 2.96Å; L232-D236 WeakPolarHBondContact O-CB 3.45Å; L232-D236 PolarHBondContact O-N 2.94Å
233A56.6Low48.5Very low45 Ų45108.6 Ų108.637%0.37260%0.6SS.*Hα-helixtrans-71.8-38.9175.500000112.3A229 D230 L237A229-A233 PolarHBondContact O-N 2.98Å; D230-A233 PolarHBondContact O-N 3.32Å; A233-L237 VanDerWaalsContact O-CB 3.27Å; A233-L237 WeakPolarHBondContact O-CB 3.3Å; A233-L237 WeakPolarHBondContact O-CD1 3.28Å; A233-L237 WeakPolarHBondContact O-CG 2.96Å; A233-L237 PolarHBondContact O-N 3.14Å
234E51.3Low49.4Very low120 Ų120108.3 Ų108.356%0.56159%0.59SS**Hα-helixtrans-68.2-38.1173.7-73.7-174.6161.100111.8D230 L237 E238D230-E234 WeakPolarHBondContact O-CB 3.05Å; D230-E234 WeakPolarHBondContact O-CG 3.45Å; D230-E234 PolarHBondContact O-N 3.47Å; E234-L237 PolarHBondContact O-N 3.3Å; E234-E238 VanDerWaalsContact O-CB 3.26Å; E234-E238 WeakPolarHBondContact O-CB 3.49Å; E234-E238 WeakPolarHBondContact O-CG 3.42Å; E234-E238 PolarHBondContact O-N 3.26Å
235A52.6Low51.4Low48 Ų48102.4 Ų102.440%0.39757%0.567SS.*Hα-helixtrans-67.2-39.3174.800000112.6T231 E239T231-A235 WeakPolarHBondContact O-CB 3.16Å; T231-A235 PolarHBondContact O-N 3.29Å; A235-E239 WeakPolarHBondContact O-CB 3.44Å; A235-E239 PolarHBondContact O-N 2.82Å
236D53.5Low53.4Low100 Ų100100.2 Ų100.254%0.53555%0.551SS.*Hα-helixtrans-68.7-37173.6-85.4-16.5000111.7L232 M240L232-D236 WeakPolarHBondContact O-CB 3.45Å; L232-D236 PolarHBondContact O-N 2.94Å; D236-M240 WeakPolarHBondContact O-CB 3.3Å; D236-M240 WeakPolarHBondContact O-CG 3.37Å; D236-M240 PolarHBondContact O-N 2.9Å
237L53.3Low55.3Low112 Ų11297.4 Ų97.459%0.58653%0.532SS*.Hα-helixtrans-71-35.8174.9-75.7162.9000112.3A233 E234 A241A233-L237 VanDerWaalsContact O-CB 3.27Å; A233-L237 WeakPolarHBondContact O-CB 3.3Å; A233-L237 WeakPolarHBondContact O-CD1 3.28Å; A233-L237 WeakPolarHBondContact O-CG 2.96Å; A233-L237 PolarHBondContact O-N 3.14Å; E234-L237 PolarHBondContact O-N 3.3Å; L237-A241 VanDerWaalsContact O-CB 3.26Å; L237-A241 WeakPolarHBondContact O-CB 3.25Å; L237-A241 PolarHBondContact O-N 2.88Å
238E52.2Low56.9Low131 Ų13195.8 Ų95.861%0.61252%0.518SS*.Hα-helixtrans-70.5-39.4171.6-79.8-175.8160.700111.2E234 M240 A241 L242E234-E238 VanDerWaalsContact O-CB 3.26Å; E234-E238 WeakPolarHBondContact O-CB 3.49Å; E234-E238 WeakPolarHBondContact O-CG 3.42Å; E234-E238 PolarHBondContact O-N 3.26Å; E238-M240 VanDerWaalsContact C-N 3.32Å; E238-M240 PolarHBondContact O-N 3.42Å; E238-A241 CarbonylContact O-C 3.56Å; E238-A241 PolarHBondContact O-N 2.62Å; E238-A241 VanDerWaalsContact O-N 3.17Å; E238-L242 VanDerWaalsContact O-CB 3.27Å; E238-L242 WeakPolarHBondContact O-CB 3.33Å; E238-L242 WeakPolarHBondContact O-CD1 3.43Å; E238-L242 WeakPolarHBondContact O-CG 3.28Å; E238-L242 PolarHBondContact O-N 3.17Å
239E48.1Very low58.9Low128 Ų12892.2 Ų92.260%0.59850%0.496SS*.Hα-helixtrans-67.7-32.2174.6-160.2172.5-15900111.8A235A235-E239 WeakPolarHBondContact O-CB 3.44Å; A235-E239 PolarHBondContact O-N 2.82Å
240M50.8Low60.8Low142 Ų14290.5 Ų90.570%0.748%0.479SS*.Hα-helixtrans-71.2-36.1167.8-74.2177.662.700113.1D236 E238D236-M240 WeakPolarHBondContact O-CB 3.3Å; D236-M240 WeakPolarHBondContact O-CG 3.37Å; D236-M240 PolarHBondContact O-N 2.9Å; E238-M240 VanDerWaalsContact C-N 3.32Å; E238-M240 PolarHBondContact O-N 3.42Å
241A49Very low62.9Low63 Ų6386.2 Ų86.252%0.52146%0.455SS..Hα-helixtrans-74.8-26.9176.100000112.9L237 E238 H243 E244L237-A241 VanDerWaalsContact O-CB 3.26Å; L237-A241 WeakPolarHBondContact O-CB 3.25Å; L237-A241 PolarHBondContact O-N 2.88Å; E238-A241 CarbonylContact O-C 3.56Å; E238-A241 PolarHBondContact O-N 2.62Å; E238-A241 VanDerWaalsContact O-N 3.17Å; A241-H243 PolarHBondContact O-N 3.05Å; A241-E244 PolarHBondContact O-N 3.03Å; A241-E244 VanDerWaalsContact O-N 3.16Å
242L50.1Low64.6Low142 Ų14287.8 Ų87.874%0.74346%0.458SS*.THydrogen-bonded Turntrans-69.2-11.9176.7-78.7162.3000113.1E238E238-L242 VanDerWaalsContact O-CB 3.27Å; E238-L242 WeakPolarHBondContact O-CB 3.33Å; E238-L242 WeakPolarHBondContact O-CD1 3.43Å; E238-L242 WeakPolarHBondContact O-CG 3.28Å; E238-L242 PolarHBondContact O-N 3.17Å
243H51.8Low66.5Low147 Ų14790.8 Ų90.868%0.68146%0.462SS*.THydrogen-bonded Turntrans-102.119172-91.7-77.1000114A241 T245A241-H243 PolarHBondContact O-N 3.05Å; H243-T245 VanDerWaalsContact C-N 3.28Å; H243-T245 PolarHBondContact O-N 3.38Å
244E57.6Low68.3Low114 Ų11489 Ų8953%0.53345%0.445SS..  trans-69.989.2160.7-83.9-161.6165.200110.2A241A241-E244 PolarHBondContact O-N 3.03Å; A241-E244 VanDerWaalsContact O-N 3.16Å
245T77.1Confident70.1Confident57 Ų5786.1 Ų86.135%0.3543%0.431SS..  trans-58.4149.6166.262.80000109.6H243 D247 N248 K249H243-T245 VanDerWaalsContact C-N 3.28Å; H243-T245 PolarHBondContact O-N 3.38Å; T245-D247 PolarHBondContact O-N 2.96Å; T245-D247 VanDerWaalsContact O-N 3.08Å; T245-N248 WeakPolarHBondContact O-CB 3.34Å; T245-N248 PolarHBondContact O-N 3.47Å; T245-N248 PolarHBondContact OG1-N 3.43Å; T245-N248 PolarHBondContact OG1-ND2 3.01Å; T245-K249 PolarHBondContact O-N 3.18Å
246E80.9Confident72Confident118 Ų11892.3 Ų92.355%0.55145%0.449SS*.Hα-helixtrans-53.8-30.2172.4-72.1-67.8110.100111.7K249 V250E246-K249 PolarHBondContact O-N 3.19Å; E246-K249 IonicContact OE1-NZ 2.82Å; E246-K249 PolarHBondContact OE1-NZ 3.15Å; E246-V250 WeakPolarHBondContact O-CG2 3.34Å; E246-V250 PolarHBondContact O-N 2.77Å
247D82.4Confident73.8Confident19 Ų1989.5 Ų89.510%0.10243%0.432CS..Hα-helixtrans-63.4-43175.4-16357.3000112.9T245 K249 V250 F251 S278 S279 S351 Q354T245-D247 PolarHBondContact O-N 2.96Å; T245-D247 VanDerWaalsContact O-N 3.08Å; D247-K249 VanDerWaalsContact C-N 3.33Å; D247-K249 PolarHBondContact O-N 2.98Å; D247-V250 PolarHBondContact O-N 3.28Å; D247-F251 WeakPolarHBondContact O-CB 3.47Å; D247-F251 PolarHBondContact O-N 2.88Å; D247-S278 WeakPolarHBondContact OD1-CA 3.24Å; D247-S278 WeakPolarHBondContact OD1-CB 3.48Å; D247-S278 PolarHBondContact OD1-OG 3.21Å; D247-S279 PolarHBondContact N-OG 2.66Å; D247-S279 PolarHBondContact OD1-N 2.9Å; D247-S279 VanDerWaalsContact OD1-N 3.09Å; D247-S351 WeakPolarHBondContact OD2-CB 3.42Å; D247-S351 PolarHBondContact OD2-OG 2.98Å; D247-Q354 VanDerWaalsContact CG-NE2 3.3Å; D247-Q354 PolarHBondContact OD1-NE2 3.21Å; D247-Q354 PolarHBondContact OD2-NE2 3.1Å
248N84.6Confident75.7Confident39 Ų3985 Ų8521%0.20941%0.409CS..Hα-helixtrans-61.8-41.1174.6-75.5-22.7000111.3T245 F251 Q252T245-N248 WeakPolarHBondContact O-CB 3.34Å; T245-N248 PolarHBondContact O-N 3.47Å; T245-N248 PolarHBondContact OG1-N 3.43Å; T245-N248 PolarHBondContact OG1-ND2 3.01Å; N248-F251 PolarHBondContact O-N 2.85Å; N248-Q252 VanDerWaalsContact O-CG 3.28Å; N248-Q252 WeakPolarHBondContact O-CG 3.42Å; N248-Q252 PolarHBondContact O-N 2.95Å
249K87.4Confident77.5Confident72 Ų7282 Ų8231%0.31341%0.406SS..Hα-helixtrans-64.2-43.4178.1-62.9178.3-168.6162.20111.9T245 E246 D247 F251 Q252 R253T245-K249 PolarHBondContact O-N 3.18Å; E246-K249 PolarHBondContact O-N 3.19Å; E246-K249 IonicContact OE1-NZ 2.82Å; E246-K249 PolarHBondContact OE1-NZ 3.15Å; D247-K249 VanDerWaalsContact C-N 3.33Å; D247-K249 PolarHBondContact O-N 2.98Å; K249-F251 VanDerWaalsContact C-N 3.34Å; K249-Q252 PolarHBondContact O-N 3.42Å; K249-R253 WeakPolarHBondContact O-CG 3.34Å; K249-R253 PolarHBondContact O-N 3.22Å
250V89.7Confident79.6Confident31 Ų3179.5 Ų79.519%0.18840%0.402CS..Hα-helixtrans-62.2-44.2175.9173.10000110.5E246 D247 Q252 R253 F254 W276E246-V250 WeakPolarHBondContact O-CG2 3.34Å; E246-V250 PolarHBondContact O-N 2.77Å; D247-V250 PolarHBondContact O-N 3.28Å; V250-Q252 PolarHBondContact O-N 2.73Å; V250-R253 WeakPolarHBondContact O-CB 3.26Å; V250-R253 PolarHBondContact O-N 3.14Å; V250-F254 PolarHBondContact O-N 2.93Å; V250-W276 HydrophobicContact CG1-CB 4.37Å; V250-W276 WeakPolarHBondContact CG1-O 3.28Å
251F89.8Confident81.6Confident4 Ų476.3 Ų76.32%0.01839%0.386CS..Hα-helixtrans-66.5-37.6179.2-169.8-129.1000113.6D247 N248 K249 F254 K255 F350 Q354 Q357D247-F251 WeakPolarHBondContact O-CB 3.47Å; D247-F251 PolarHBondContact O-N 2.88Å; N248-F251 PolarHBondContact O-N 2.85Å; K249-F251 VanDerWaalsContact C-N 3.34Å; F251-F254 HydrophobicContact CD2-CD1 4.33Å; F251-F254 HydrophobicContact CE2-CD1 4.31Å; F251-F254 WeakPolarHBondContact O-CB 3.22Å; F251-F254 PolarHBondContact O-N 2.95Å; F251-K255 HydrophobicContact CD1-CD 4.21Å; F251-K255 HydrophobicContact CE1-CD 4Å; F251-K255 HydrophobicContact CZ-CD 4.29Å; F251-K255 HydrophobicContact CZ-CG 4.47Å; F251-K255 WeakPolarHBondContact O-CB 3.25Å; F251-K255 WeakPolarHBondContact O-CG 3.43Å; F251-K255 PolarHBondContact O-N 3.29Å; F251-F350 AromaticContact CE2-CD1 3.82Å; F251-F350 HydrophobicContact CE2-CD1 3.82Å; F251-F350 AromaticContact CE2-CE1 3.7Å; F251-F350 HydrophobicContact CE2-CE1 3.7Å; F251-F350 HydrophobicContact CZ-CD1 4.45Å; F251-F350 HydrophobicContact CZ-CE1 4.44Å; F251-Q354 HydrophobicContact CB-CG 4.31Å; F251-Q354 HydrophobicContact CD1-CB 4.41Å; F251-Q354 HydrophobicContact CD1-CG 3.77Å; F251-Q354 HydrophobicContact CD2-CG 4.22Å; F251-Q354 HydrophobicContact CE1-CB 4.12Å; F251-Q354 HydrophobicContact CE1-CG 3.99Å; F251-Q354 HydrophobicContact CE2-CG 4.48Å; F251-Q354 HydrophobicContact CG-CG 3.87Å; F251-Q354 HydrophobicContact CZ-CB 4.19Å; F251-Q354 HydrophobicContact CZ-CG 4.36Å; F251-Q357 HydrophobicContact CE1-CB 4.44Å
252Q87.9Confident83.6Confident99 Ų9975.9 Ų75.946%0.46338%0.378SS..Hα-helixtrans-66.5-38.2174.1-69.8-61.6-15.200111.7N248 K249 V250 K255 K256N248-Q252 VanDerWaalsContact O-CG 3.28Å; N248-Q252 WeakPolarHBondContact O-CG 3.42Å; N248-Q252 PolarHBondContact O-N 2.95Å; K249-Q252 PolarHBondContact O-N 3.42Å; V250-Q252 PolarHBondContact O-N 2.73Å; Q252-K255 PolarHBondContact O-N 3.28Å; Q252-K256 VanDerWaalsContact O-CB 3.26Å; Q252-K256 WeakPolarHBondContact O-CB 3.42Å; Q252-K256 PolarHBondContact O-N 3.14Å
253R90.5Very high85.6Confident176 Ų17675.6 Ų75.666%0.66437%0.372SS*.Hα-helixtrans-62.7-44.2171.7-72175.2-174.2165.12.4111.4K249 V250 K256 K257K249-R253 WeakPolarHBondContact O-CG 3.34Å; K249-R253 PolarHBondContact O-N 3.22Å; V250-R253 WeakPolarHBondContact O-CB 3.26Å; V250-R253 PolarHBondContact O-N 3.14Å; R253-K256 PolarHBondContact O-N 3.41Å; R253-K257 VanDerWaalsContact O-CB 3.32Å; R253-K257 WeakPolarHBondContact O-CB 3.22Å; R253-K257 PolarHBondContact O-N 3.37Å
254F92.7Very high87.6Confident6 Ų668.6 Ų68.63%0.02634%0.34CS..Hα-helixtrans-54.6-56.4173.2174.3-88.5000110.8V250 F251 K256 K257 I258 L275 V277 M304 P305V250-F254 PolarHBondContact O-N 2.93Å; F251-F254 HydrophobicContact CD2-CD1 4.33Å; F251-F254 HydrophobicContact CE2-CD1 4.31Å; F251-F254 WeakPolarHBondContact O-CB 3.22Å; F251-F254 PolarHBondContact O-N 2.95Å; F254-K256 PolarHBondContact O-N 3.28Å; F254-K257 PolarHBondContact O-N 2.77Å; F254-K257 VanDerWaalsContact O-N 3.12Å; F254-I258 HydrophobicContact CD1-CD1 4.08Å; F254-I258 HydrophobicContact CD1-CG1 4.44Å; F254-I258 HydrophobicContact CE1-CD1 3.44Å; F254-I258 VanDerWaalsContact CE1-CD1 3.44Å; F254-I258 HydrophobicContact CE1-CG1 4.21Å; F254-I258 HydrophobicContact CE1-CG2 4.47Å; F254-I258 HydrophobicContact CE2-CG2 4.38Å; F254-I258 HydrophobicContact CZ-CD1 3.98Å; F254-I258 HydrophobicContact CZ-CG2 4.22Å; F254-I258 WeakPolarHBondContact O-CG1 3.27Å; F254-I258 PolarHBondContact O-N 3.41Å; F254-L275 HydrophobicContact CD2-CD2 3.65Å; F254-L275 HydrophobicContact CD2-CG 3.71Å; F254-L275 HydrophobicContact CE2-CD2 3.98Å; F254-L275 HydrophobicContact CE2-CG 4.33Å; F254-L275 HydrophobicContact CG-CD2 4.38Å; F254-V277 HydrophobicContact CD1-CG1 4.22Å; F254-V277 HydrophobicContact CD2-CG1 3.62Å; F254-V277 HydrophobicContact CE1-CG1 4.05Å; F254-V277 HydrophobicContact CE2-CG1 3.47Å; F254-V277 VanDerWaalsContact CE2-CG1 3.47Å; F254-V277 HydrophobicContact CG-CG1 4.04Å; F254-V277 HydrophobicContact CZ-CG1 3.7Å; F254-M304 HydrophobicContact CE2-CE 3.68Å; F254-M304 HydrophobicContact CZ-CE 3.74Å; F254-P305 HydrophobicContact CZ-CG 4.15Å
255K91Very high89.4Confident60 Ų6064.3 Ų64.326%0.26132%0.32SS..Hα-helixtrans-55.3-48.5178.9-79.8179.5166.7173.40112.3F251 Q252 K257 I258 A259F251-K255 HydrophobicContact CD1-CD 4.21Å; F251-K255 HydrophobicContact CE1-CD 4Å; F251-K255 HydrophobicContact CZ-CD 4.29Å; F251-K255 HydrophobicContact CZ-CG 4.47Å; F251-K255 WeakPolarHBondContact O-CB 3.25Å; F251-K255 WeakPolarHBondContact O-CG 3.43Å; F251-K255 PolarHBondContact O-N 3.29Å; Q252-K255 PolarHBondContact O-N 3.28Å; K255-K257 VanDerWaalsContact C-N 3.3Å; K255-K257 PolarHBondContact O-N 3.28Å; K255-I258 WeakPolarHBondContact O-CG1 3.15Å; K255-I258 PolarHBondContact O-N 3.21Å; K255-A259 WeakPolarHBondContact O-CB 3.28Å; K255-A259 PolarHBondContact O-N 3.22Å
256K91.4Very high90.4Very high178 Ų17861.8 Ų61.877%0.77431%0.305SS*.Hα-helixtrans-60.7-40.6178.8-175.5178.9179.1-178.40111.6Q252 R253 F254 A259Q252-K256 VanDerWaalsContact O-CB 3.26Å; Q252-K256 WeakPolarHBondContact O-CB 3.42Å; Q252-K256 PolarHBondContact O-N 3.14Å; R253-K256 PolarHBondContact O-N 3.41Å; F254-K256 PolarHBondContact O-N 3.28Å; K256-A259 WeakPolarHBondContact O-CB 3.41Å; K256-A259 PolarHBondContact O-N 2.95Å
257K91.7Very high91.2Very high42 Ų4256.8 Ų56.818%0.18328%0.281CS..Hα-helixtrans-68-38.4179.9-169.569.6175-170.80112.2E201 E206 R253 F254 K255 L275E201-K257 WeakPolarHBondContact OE1-CE 3.38Å; E201-K257 WeakPolarHBondContact OE2-CE 3.15Å; E201-K257 IonicContact OE2-NZ 2.67Å; E206-K257 WeakPolarHBondContact OE1-CE 3.35Å; E206-K257 IonicContact OE1-NZ 3.18Å; E206-K257 PolarHBondContact OE1-NZ 3.22Å; R253-K257 VanDerWaalsContact O-CB 3.32Å; R253-K257 WeakPolarHBondContact O-CB 3.22Å; R253-K257 PolarHBondContact O-N 3.37Å; F254-K257 PolarHBondContact O-N 2.77Å; F254-K257 VanDerWaalsContact O-N 3.12Å; K255-K257 VanDerWaalsContact C-N 3.3Å; K255-K257 PolarHBondContact O-N 3.28Å; K257-L275 HydrophobicContact CB-CD1 4Å; K257-L275 HydrophobicContact CB-CD2 3.9Å; K257-L275 HydrophobicContact CG-CD1 4Å; K257-L275 HydrophobicContact CG-CD2 3.86Å
258I92.6Very high91.9Very high18 Ų1858.2 Ų58.29%0.09229%0.285CS..Hα-helixtrans-86.1-6.5178.968163000113.7F254 K255 S260 E261 P262 L275 M304F254-I258 HydrophobicContact CD1-CD1 4.08Å; F254-I258 HydrophobicContact CD1-CG1 4.44Å; F254-I258 HydrophobicContact CE1-CD1 3.44Å; F254-I258 VanDerWaalsContact CE1-CD1 3.44Å; F254-I258 HydrophobicContact CE1-CG1 4.21Å; F254-I258 HydrophobicContact CE1-CG2 4.47Å; F254-I258 HydrophobicContact CE2-CG2 4.38Å; F254-I258 HydrophobicContact CZ-CD1 3.98Å; F254-I258 HydrophobicContact CZ-CG2 4.22Å; F254-I258 WeakPolarHBondContact O-CG1 3.27Å; F254-I258 PolarHBondContact O-N 3.41Å; K255-I258 WeakPolarHBondContact O-CG1 3.15Å; K255-I258 PolarHBondContact O-N 3.21Å; I258-S260 VanDerWaalsContact C-N 3.31Å; I258-S260 PolarHBondContact O-N 2.75Å; I258-E261 CarbonylContact O-C 3.48Å; I258-E261 PolarHBondContact O-N 2.73Å; I258-P262 VanDerWaalsContact O-CA 3.25Å; I258-P262 WeakPolarHBondContact O-CA 3.36Å; I258-L275 HydrophobicContact CG2-CD2 3.78Å; I258-M304 HydrophobicContact CG2-CE 3.68Å
259A91.4Very high92.5Very high68 Ų6856.6 Ų56.656%0.56228%0.277SS*.SBendtrans-66.3-30.3-172.600000113.8K255 K256K255-A259 WeakPolarHBondContact O-CB 3.28Å; K255-A259 PolarHBondContact O-N 3.22Å; K256-A259 WeakPolarHBondContact O-CB 3.41Å; K256-A259 PolarHBondContact O-N 2.95Å
260S90.2Very high92.8Very high74 Ų7456.7 Ų56.752%0.51728%0.275SS..SBendtrans-66.5-45.3173.649.20000111.1I258 P262I258-S260 VanDerWaalsContact C-N 3.31Å; I258-S260 PolarHBondContact O-N 2.75Å; S260-P262 WeakPolarHBondContact O-CD 3.2Å
261E93.1Very high93Very high75 Ų7557.5 Ų57.535%0.3529%0.29SS..  trans-126.171.7-175.9-66.4-54.9148.300111.7L9 F11 I258 H263 Q264L9-E261 HydrophobicContact CD1-CB 3.78Å; L9-E261 HydrophobicContact CD1-CG 3.77Å; F11-E261 HydrophobicContact CE1-CB 4.37Å; F11-E261 HydrophobicContact CZ-CB 4.2Å; F11-E261 HydrophobicContact CZ-CG 4.27Å; I258-E261 CarbonylContact O-C 3.48Å; I258-E261 PolarHBondContact O-N 2.73Å; E261-H263 PolarHBondContact O-N 3.26Å; E261-Q264 WeakPolarHBondContact O-CB 3.35Å; E261-Q264 WeakPolarHBondContact O-CG 3.48Å; E261-Q264 PolarHBondContact O-N 2.93Å; E261-Q264 PolarHBondContact O-NE2 3.4Å
262P91.5Very high93.2Very high55 Ų5558 Ų5836%0.35730%0.297SS..THydrogen-bonded Turntrans-69.4-19-172.426.7-34.9000113.2I258 S260 Q264 Q306I258-P262 VanDerWaalsContact O-CA 3.25Å; I258-P262 WeakPolarHBondContact O-CA 3.36Å; S260-P262 WeakPolarHBondContact O-CD 3.2Å; P262-Q264 VanDerWaalsContact C-N 3.32Å; P262-Q306 WeakPolarHBondContact O-CG 3.47Å; P262-Q306 PolarHBondContact O-NE2 3.5Å
263H91.6Very high93.5Very high136 Ų13664 Ų6463%0.6332%0.315SS*.THydrogen-bonded Turntrans-88.54.4-179.7-56.6103.8000113.7E261 M265E261-H263 PolarHBondContact O-N 3.26Å; H263-M265 WeakPolarHBondContact O-CE 3.44Å; H263-M265 PolarHBondContact O-N 3.32Å
264Q94.6Very high93.7Very high0 Ų056.8 Ų56.80%029%0.291CS..  trans-61129.4177.267.3-172.5-80.400111.1L9 F11 E261 P262 M304L9-Q264 HydrophobicContact CB-CB 4.48Å; F11-Q264 HydrophobicContact CE1-CB 4.11Å; F11-Q264 HydrophobicContact CZ-CB 4.46Å; E261-Q264 WeakPolarHBondContact O-CB 3.35Å; E261-Q264 WeakPolarHBondContact O-CG 3.48Å; E261-Q264 PolarHBondContact O-N 2.93Å; E261-Q264 PolarHBondContact O-NE2 3.4Å; P262-Q264 VanDerWaalsContact C-N 3.32Å; Q264-M304 HydrophobicContact CG-CE 4.4Å; Q264-M304 HydrophobicContact CG-CG 4.18Å; Q264-M304 VanDerWaalsContact O-CB 3.24Å; Q264-M304 WeakPolarHBondContact O-CB 3.42Å
265M95.9Very high93.8Very high24 Ų2458 Ų5812%0.11830%0.297CS..  trans-101.9-28.6-178.2-58.4-52.4179.900112.6G10 L12 H263 M304 Q306 L307G10-M265 PolarHBondContact O-N 2.85Å; L12-M265 HydrophobicContact CD1-CG 4.22Å; L12-M265 HydrophobicContact CG-CG 3.91Å; H263-M265 WeakPolarHBondContact O-CE 3.44Å; H263-M265 PolarHBondContact O-N 3.32Å; M265-M304 WeakPolarHBondContact O-CB 3.34Å; M265-M304 PolarHBondContact O-N 3.43Å; M265-Q306 HydrophobicContact CE-CB 4.23Å; M265-Q306 HydrophobicContact SD-CB 3.57Å; M265-Q306 VanDerWaalsContact SD-CB 3.57Å; M265-L307 HydrophobicContact CB-CB 4.43Å; M265-L307 HydrophobicContact CB-CD1 4.28Å; M265-L307 HydrophobicContact CG-CD1 4.43Å; M265-L307 VanDerWaalsContact SD-CA 3.53Å; M265-L307 HydrophobicContact SD-CB 4.2Å; M265-L307 PolarHBondContact SD-N 2.97Å
266I97.4Very high94.1Very high4 Ų456.9 Ų56.92%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-135.5148.2176.1-64.6-165.4000109.3L9 G10 L60 V62 L196 F301 Q302L9-I266 CarbonylContact C-O 3.59Å; L9-I266 WeakPolarHBondContact CA-O 3.41Å; G10-I266 PolarHBondContact N-O 3.29Å; G10-I266 PolarHBondContact O-N 3.09Å; L60-I266 HydrophobicContact CD1-CD1 3.99Å; L60-I266 HydrophobicContact CD2-CD1 3.76Å; L60-I266 HydrophobicContact CG-CD1 4.49Å; V62-I266 HydrophobicContact CG2-CD1 3.94Å; L196-I266 HydrophobicContact CD1-CD1 4.29Å; L196-I266 HydrophobicContact CD1-CG1 4.22Å; L196-I266 HydrophobicContact CD2-CB 4.42Å; L196-I266 HydrophobicContact CD2-CD1 3.48Å; L196-I266 VanDerWaalsContact CD2-CD1 3.48Å; L196-I266 HydrophobicContact CD2-CG1 4.16Å; I266-F301 HydrophobicContact CD1-CD2 4.35Å; I266-F301 HydrophobicContact CD1-CE2 4.34Å; I266-F301 HydrophobicContact CG2-CB 4.14Å; I266-F301 HydrophobicContact CG2-CD2 3.98Å; I266-F301 HydrophobicContact CG2-CG 4.41Å; I266-Q302 CarbonylContact C-O 3.52Å; I266-Q302 VanDerWaalsContact CA-O 3.25Å; I266-Q302 WeakPolarHBondContact CA-O 3.33Å; I266-Q302 WeakPolarHBondContact CG2-O 3.39Å
267R97.5Very high94.1Very high13 Ų1348.4 Ų48.45%0.04926%0.255CS..EExtended strand (participates in β ladder)trans-120.6115.3161.1-52.6170.462.786.3-0.2108.5V7 V8 L9 E201 F301 Q302 M304V7-R267 HydrophobicContact CG1-CB 4.35Å; V8-R267 CarbonylContact O-C 3.54Å; V8-R267 WeakPolarHBondContact O-CA 3.43Å; L9-R267 HydrophobicContact CD2-CB 4.47Å; L9-R267 HydrophobicContact CD2-CG 3.88Å; E201-R267 IonicContact OE1-CZ 3.08Å; E201-R267 IonicContact OE1-NH1 3.2Å; E201-R267 PolarHBondContact OE1-NH1 3.08Å; E201-R267 IonicContact OE1-NH2 3.01Å; E201-R267 PolarHBondContact OE1-NH2 3.31Å; E201-R267 IonicContact OE2-CZ 2.67Å; E201-R267 IonicContact OE2-NH2 2.75Å; E201-R267 PolarHBondContact OE2-NH2 2.96Å; R267-F301 CarbonylContact O-C 3.58Å; R267-F301 VanDerWaalsContact O-CA 3.27Å; R267-F301 WeakPolarHBondContact O-CA 3.33Å; R267-F301 WeakPolarHBondContact O-CB 3.28Å; R267-Q302 HydrophobicContact CB-CG 3.72Å; R267-Q302 HydrophobicContact CG-CG 4.22Å; R267-Q302 PolarHBondContact N-O 2.87Å; R267-Q302 PolarHBondContact O-N 3.06Å; R267-M304 HydrophobicContact CG-CG 4.25Å; R267-M304 HydrophobicContact CG-SD 3.85Å
268Y97.6Very high94.2Very high48 Ų4847 Ų4719%0.18825%0.25CC..EExtended strand (participates in β ladder)trans-99.2126.3178.9-176-84.5000109.6V8 V62 A64 R270 E300 F301V8-Y268 PolarHBondContact N-O 3.45Å; V8-Y268 PolarHBondContact O-N 2.94Å; V62-Y268 HydrophobicContact CG1-CD2 4.17Å; V62-Y268 HydrophobicContact CG1-CE2 4.43Å; A64-Y268 HydrophobicContact CB-CE2 3.75Å; Y268-R270 HydrophobicContact CE1-CB 4.26Å; Y268-E300 HydrophobicContact CE2-CG 3.82Å; Y268-E300 PolarHBondContact OH-OE1 3.02Å; Y268-F301 HydrophobicContact CD2-CB 3.79Å; Y268-F301 HydrophobicContact CG-CB 4.4Å
269S96.3Very high94Very high6 Ų648.9 Ų48.94%0.04227%0.265CS..  trans-161.188.7174.2-170.90000109.4E6 G271 G272 F299 E300E6-S269 PolarHBondContact O-OG 3.37Å; E6-S269 VanDerWaalsContact O-OG 3.1Å; S269-G271 PolarHBondContact O-N 3Å; S269-G272 PolarHBondContact O-N 3.16Å; S269-F299 WeakPolarHBondContact O-CD1 3.47Å; S269-F299 WeakPolarHBondContact O-CE1 3.23Å; S269-E300 CarbonylContact C-O 3.49Å; S269-E300 VanDerWaalsContact C-O 3.31Å; S269-E300 PolarHBondContact N-O 2.91Å
270R95.1Very high94Very high73 Ų7347.2 Ų47.228%0.27526%0.255SS..THydrogen-bonded Turntrans-65.7121-177.5-174.5175.5-175.7-103.3-6.1111.2I66 Y268 E300 S331I66-R270 VanDerWaalsContact CD1-CZ 3.49Å; Y268-R270 HydrophobicContact CE1-CB 4.26Å; R270-E300 WeakPolarHBondContact CD-OE2 3.35Å; R270-E300 PolarHBondContact N-O 2.85Å; R270-E300 IonicContact NE-OE2 3.37Å; R270-E300 PolarHBondContact NE-OE2 3.2Å; R270-S331 PolarHBondContact NH2-O 3.39Å
271G94.1Very high94.1Very high49 Ų4946.6 Ų46.651%0.50524%0.243SC..THydrogen-bonded Turntrans77.85.4-173.300000114S269 F299S269-G271 PolarHBondContact O-N 3Å; G271-F299 PolarHBondContact N-O 3.09Å
272G93.9Very high94.2Very high15 Ų1546 Ų4616%0.15524%0.244CC..SBendtrans-80.9-160174.700000113.3S269S269-G272 PolarHBondContact O-N 3.16Å
273R93.1Very high94.4Very high225 Ų22544 Ų4485%0.84923%0.232SC*.  trans-120.1135.9179.9-62.9179.872.9-171.12.8110.1
274P95.6Very high94.5Very high23 Ų2340 Ų4015%0.14922%0.222CC..  trans-66.1147.8172-13.825.1000112.3W276 F299 Q302 T326P274-W276 HydrophobicContact CB-CD2 4.2Å; P274-W276 HydrophobicContact CB-CH2 4.22Å; P274-W276 HydrophobicContact CB-CZ2 3.71Å; P274-W276 HydrophobicContact CG-CH2 4.21Å; P274-W276 HydrophobicContact CG-CZ2 3.56Å; P274-F299 HydrophobicContact CB-CD2 4.34Å; P274-F299 HydrophobicContact CB-CE2 3.99Å; P274-F299 HydrophobicContact CB-CZ 4.35Å; P274-F299 HydrophobicContact CG-CD2 3.56Å; P274-F299 HydrophobicContact CG-CE2 3.73Å; P274-F299 HydrophobicContact CG-CG 4Å; P274-F299 HydrophobicContact CG-CZ 4.33Å; P274-Q302 VanDerWaalsContact CA-OE1 3.31Å; P274-T326 HydrophobicContact CB-CG2 3.64Å; P274-T326 HydrophobicContact CG-CG2 4.04Å
275L94.9Very high94.3Very high31 Ų3147.1 Ų47.116%0.16226%0.26CS..  trans-90107.8166.3-175.273.3000108.7F254 K257 I258 Q302F254-L275 HydrophobicContact CD2-CD2 3.65Å; F254-L275 HydrophobicContact CD2-CG 3.71Å; F254-L275 HydrophobicContact CE2-CD2 3.98Å; F254-L275 HydrophobicContact CE2-CG 4.33Å; F254-L275 HydrophobicContact CG-CD2 4.38Å; K257-L275 HydrophobicContact CB-CD1 4Å; K257-L275 HydrophobicContact CB-CD2 3.9Å; K257-L275 HydrophobicContact CG-CD1 4Å; K257-L275 HydrophobicContact CG-CD2 3.86Å; I258-L275 HydrophobicContact CG2-CD2 3.78Å; L275-Q302 PolarHBondContact O-NE2 3.38Å
276W95.7Very high94.1Very high37 Ų3755 Ų5514%0.1430%0.296CS..  trans-88.5147.8-176.9-60.3111.4000112.4V250 P274 V282 P283 T324 T326 W346 Q348V250-W276 HydrophobicContact CG1-CB 4.37Å; V250-W276 WeakPolarHBondContact CG1-O 3.28Å; P274-W276 HydrophobicContact CB-CD2 4.2Å; P274-W276 HydrophobicContact CB-CH2 4.22Å; P274-W276 HydrophobicContact CB-CZ2 3.71Å; P274-W276 HydrophobicContact CG-CH2 4.21Å; P274-W276 HydrophobicContact CG-CZ2 3.56Å; W276-V282 HydrophobicContact CB-CG2 4.34Å; W276-V282 HydrophobicContact CD2-CG1 4.4Å; W276-V282 HydrophobicContact CD2-CG2 3.96Å; W276-V282 HydrophobicContact CG-CG2 3.83Å; W276-V282 HydrophobicContact CZ2-CG1 4.03Å; W276-P283 HydrophobicContact CH2-CG 3.92Å; W276-P283 VanDerWaalsContact CZ2-CD 3.41Å; W276-P283 HydrophobicContact CZ2-CG 4Å; W276-T324 HydrophobicContact CE3-CG2 3.77Å; W276-T324 HydrophobicContact CZ3-CG2 4.06Å; W276-T326 HydrophobicContact CE3-CG2 4.46Å; W276-T326 HydrophobicContact CH2-CG2 3.66Å; W276-T326 HydrophobicContact CZ2-CG2 4.41Å; W276-T326 HydrophobicContact CZ3-CG2 3.69Å; W276-W346 AromaticContact CH2-CD1 3.83Å; W276-W346 AromaticContact CZ3-CD1 3.89Å; W276-Q348 HydrophobicContact CE3-CB 4.25Å; W276-Q348 HydrophobicContact CZ3-CB 4.22Å
277V93.1Very high94Very high0 Ų058.6 Ų58.60%032%0.316CS..SBendtrans-89.3-21.7175.7-63.10000112.4F254 Q348 F350 Q354F254-V277 HydrophobicContact CD1-CG1 4.22Å; F254-V277 HydrophobicContact CD2-CG1 3.62Å; F254-V277 HydrophobicContact CE1-CG1 4.05Å; F254-V277 HydrophobicContact CE2-CG1 3.47Å; F254-V277 VanDerWaalsContact CE2-CG1 3.47Å; F254-V277 HydrophobicContact CG-CG1 4.04Å; F254-V277 HydrophobicContact CZ-CG1 3.7Å; V277-Q348 HydrophobicContact CG2-CG 4.05Å; V277-F350 HydrophobicContact CB-CD1 3.86Å; V277-F350 HydrophobicContact CB-CE1 3.82Å; V277-F350 HydrophobicContact CG1-CD1 4.15Å; V277-F350 HydrophobicContact CG1-CE1 3.58Å; V277-F350 HydrophobicContact CG1-CZ 4.31Å; V277-F350 HydrophobicContact CG2-CD1 4.03Å; V277-F350 HydrophobicContact CG2-CE1 4.28Å; V277-Q354 PolarHBondContact O-NE2 3.39Å; V277-Q354 PolarHBondContact O-OE1 3.05Å
278S92.3Very high94Very high12 Ų1259 Ų598%0.08432%0.319CS..  trans-135.3152.1-178173.50000111.2D247 G280 Q348D247-S278 WeakPolarHBondContact OD1-CA 3.24Å; D247-S278 WeakPolarHBondContact OD1-CB 3.48Å; D247-S278 PolarHBondContact OD1-OG 3.21Å; S278-G280 VanDerWaalsContact C-N 3.26Å; S278-G280 PolarHBondContact OG-N 3.17Å; S278-G280 VanDerWaalsContact OG-N 3.08Å; S278-Q348 PolarHBondContact O-NE2 3.3Å
279S89.8Confident94Very high59 Ų5959.3 Ų59.341%0.41333%0.327SS..SBendtrans-73.5-19.1170.863.20000112.8D247D247-S279 PolarHBondContact N-OG 2.66Å; D247-S279 PolarHBondContact OD1-N 2.9Å; D247-S279 VanDerWaalsContact OD1-N 3.09Å
280G89.8Confident94Very high33 Ų3362.8 Ų62.834%0.3435%0.349SS..SBendtrans-91.4159.8178.900000112.7S278 V282 Q348S278-G280 VanDerWaalsContact C-N 3.26Å; S278-G280 PolarHBondContact OG-N 3.17Å; S278-G280 VanDerWaalsContact OG-N 3.08Å; G280-V282 PolarHBondContact O-N 3.33Å; G280-Q348 PolarHBondContact O-NE2 3.28Å
281H93.9Very high94.1Very high61 Ų6159.6 Ų59.628%0.28234%0.338SS..SBendtrans54.435.5177.4-163.369.2000114.3N91 W346 K347N91-H281 HydrophobicContact CB-CB 4.25Å; N91-H281 WeakPolarHBondContact CB-CD2 3.46Å; N91-H281 WeakPolarHBondContact CB-NE2 3.4Å; N91-H281 VanDerWaalsContact CG-CG 3.44Å; N91-H281 WeakPolarHBondContact ND2-CB 3.48Å; N91-H281 PolarHBondContact O-CE1 3.09Å; N91-H281 VanDerWaalsContact O-CE1 3.26Å; N91-H281 PolarHBondContact O-NE2 3.47Å; N91-H281 PolarHBondContact OD1-CD2 3.37Å; H281-W346 AromaticContact CD2-CE2 3.75Å; H281-W346 AromaticContact CD2-CZ2 3.85Å; H281-W346 AromaticContact CD2-NE1 3.37Å; H281-W346 PolarHBondContact CD2-NE1 3.1Å; H281-W346 AromaticContact CE1-CE2 3.77Å; H281-W346 AromaticContact CE1-CH2 3.84Å; H281-W346 AromaticContact CE1-CZ2 3.26Å; H281-W346 WeakPolarHBondContact CE1-CZ2 3.44Å; H281-W346 AromaticContact CG-CZ2 3.94Å; H281-W346 AromaticContact ND1-CZ2 3.59Å; H281-W346 AromaticContact NE2-CE2 3.42Å; H281-W346 AromaticContact NE2-CZ2 3.44Å; H281-W346 WeakPolarHBondContact NE2-CZ2 3.22Å; H281-W346 AromaticContact NE2-NE1 3.47Å; H281-W346 PolarHBondContact NE2-NE1 2.84Å; H281-W346 PolarHBondContact O-NE1 3.08Å; H281-K347 PolarHBondContact CD2-O 3.45Å; H281-K347 VanDerWaalsContact CD2-O 3.25Å; H281-K347 PolarHBondContact NE2-O 3.48Å
282V94.9Very high94Very high61 Ų6161.8 Ų61.837%0.3734%0.341SS..PPolyproline II helixtrans-86.3126.4165.71760000107.1W276 G280W276-V282 HydrophobicContact CB-CG2 4.34Å; W276-V282 HydrophobicContact CD2-CG1 4.4Å; W276-V282 HydrophobicContact CD2-CG2 3.96Å; W276-V282 HydrophobicContact CG-CG2 3.83Å; W276-V282 HydrophobicContact CZ2-CG1 4.03Å; G280-V282 PolarHBondContact O-N 3.33Å
283P95.2Very high94.1Very high15 Ų1563.7 Ų63.710%0.09735%0.352CS..PPolyproline II helixtrans-69.4135.2-176.628-30.6000110.5W276 D287 I288 Y328 W346W276-P283 HydrophobicContact CH2-CG 3.92Å; W276-P283 VanDerWaalsContact CZ2-CD 3.41Å; W276-P283 HydrophobicContact CZ2-CG 4Å; P283-D287 HydrophobicContact CB-CB 4.04Å; P283-I288 HydrophobicContact CB-CD1 4.39Å; P283-I288 HydrophobicContact CB-CG1 4.18Å; P283-I288 HydrophobicContact CG-CD1 4.45Å; P283-Y328 HydrophobicContact CG-CE2 4.46Å; P283-Y328 WeakPolarHBondContact CG-OH 3.43Å; P283-W346 HydrophobicContact CB-CD2 3.79Å; P283-W346 HydrophobicContact CB-CE3 3.95Å; P283-W346 HydrophobicContact CB-CG 4.35Å; P283-W346 HydrophobicContact CB-CH2 3.99Å; P283-W346 HydrophobicContact CB-CZ2 3.86Å; P283-W346 HydrophobicContact CB-CZ3 4.05Å; P283-W346 HydrophobicContact CG-CD2 3.97Å; P283-W346 HydrophobicContact CG-CG 4Å
284A93.2Very high94.2Very high51 Ų5155.7 Ų55.742%0.42134%0.34SS..PPolyproline II helixtrans-78.9166.7163.300000110.3E286 D287A284-E286 PolarHBondContact O-N 2.92Å; A284-E286 VanDerWaalsContact O-N 3.12Å; A284-D287 PolarHBondContact N-OD2 3.28Å; A284-D287 WeakPolarHBondContact O-CB 3.31Å; A284-D287 PolarHBondContact O-N 3.26Å
285D90.5Very high94.2Very high149 Ų14955.7 Ų55.780%0.79734%0.342SS*.THydrogen-bonded Turntrans-57.8-28.8177.6-72.3-10000112.5I288D285-I288 PolarHBondContact O-N 3.32Å
286E92.8Very high94.3Very high189 Ų18959.9 Ų59.988%0.88336%0.364SS*.THydrogen-bonded Turntrans-73.3-28.1177.8-62.2173.4-152.900113A284 I288A284-E286 PolarHBondContact O-N 2.92Å; A284-E286 VanDerWaalsContact O-N 3.12Å; E286-I288 PolarHBondContact O-N 3.28Å
287D94.9Very high94.4Very high81 Ų8159.6 Ų59.643%0.43336%0.363SS..THydrogen-bonded Turntrans-75.5-17177.3-62.3-51.9000112P283 A284 P289 F344 W346P283-D287 HydrophobicContact CB-CB 4.04Å; A284-D287 PolarHBondContact N-OD2 3.28Å; A284-D287 WeakPolarHBondContact O-CB 3.31Å; A284-D287 PolarHBondContact O-N 3.26Å; D287-P289 WeakPolarHBondContact O-CD 2.97Å; D287-F344 VanDerWaalsContact O-CZ 3.29Å; D287-F344 WeakPolarHBondContact O-CZ 3.36Å; D287-W346 HydrophobicContact CB-CH2 4.02Å; D287-W346 HydrophobicContact CB-CZ3 3.92Å
288I96.9Very high94.6Very high21 Ų2161.8 Ų61.811%0.10838%0.376CS..SBendtrans-97.5100.2179.5-58.5165.4000108.1P283 D285 E286 R297 Y328 F344P283-I288 HydrophobicContact CB-CD1 4.39Å; P283-I288 HydrophobicContact CB-CG1 4.18Å; P283-I288 HydrophobicContact CG-CD1 4.45Å; D285-I288 PolarHBondContact O-N 3.32Å; E286-I288 PolarHBondContact O-N 3.28Å; I288-R297 HydrophobicContact CG2-CB 3.82Å; I288-Y328 HydrophobicContact CD1-CD1 3.71Å; I288-Y328 HydrophobicContact CD1-CE1 3.44Å; I288-Y328 VanDerWaalsContact CD1-CE1 3.44Å; I288-Y328 HydrophobicContact CD1-CE2 4.42Å; I288-Y328 HydrophobicContact CD1-CG 4.34Å; I288-Y328 HydrophobicContact CG1-CD1 4.46Å; I288-Y328 HydrophobicContact CG1-CE1 4.45Å; I288-Y328 HydrophobicContact CG2-CD1 4.38Å; I288-Y328 HydrophobicContact CG2-CG 4.35Å; I288-F344 HydrophobicContact CB-CD1 4.47Å; I288-F344 HydrophobicContact CB-CE1 4.36Å; I288-F344 HydrophobicContact CG1-CD1 4.28Å; I288-F344 HydrophobicContact CG1-CE1 3.93Å; I288-F344 HydrophobicContact CG2-CD1 4.03Å; I288-F344 HydrophobicContact CG2-CE1 4.41Å
289P97.1Very high94.9Very high55 Ų5561.7 Ų61.736%0.35737%0.374SS..PPolyproline II helixtrans-63.1148.1-177.524.6-33.1000110.9D287 R297 F344D287-P289 WeakPolarHBondContact O-CD 2.97Å; P289-R297 PolarHBondContact O-NH1 3.36Å; P289-F344 HydrophobicContact CG-CD2 3.85Å; P289-F344 HydrophobicContact CG-CE2 4.06Å; P289-F344 HydrophobicContact CG-CG 4.46Å
290P97Very high95.2Very high79 Ų7958.9 Ų58.951%0.51336%0.355SS..PPolyproline II helixtrans-63155.2173.727.5-34.4000110.6R297P290-R297 VanDerWaalsContact C-NH1 3.34Å; P290-R297 PolarHBondContact O-NH1 2.92Å
291C96.6Very high95.7Very high5 Ų557.3 Ų57.33%0.03434%0.339CS..PPolyproline II helixtrans-61.4153.4169.5-171.60000109.7C293 G294 A295 R297 C330C291-C293 PolarHBondContact O-N 3.31Å; C291-C293 VanDerWaalsContact SG-SG 3.67Å; C291-G294 WeakPolarHBondContact O-CA 3.29Å; C291-G294 PolarHBondContact O-N 2.73Å; C291-A295 WeakPolarHBondContact CB-O 3.07Å; C291-A295 PolarHBondContact N-O 3.05Å; C291-R297 HydrophobicContact CB-CG 4.4Å; C291-C330 HydrophobicContact CB-CB 3.93Å; C291-C330 VanDerWaalsContact SG-SG 3.68Å
292T93.3Very high95.9Very high95 Ų9554.5 Ų54.558%0.58333%0.326SS*.THydrogen-bonded Turntrans-58.2-18.3176.153.90000114.4G294 R341T292-G294 VanDerWaalsContact C-N 3.28Å; T292-R341 PolarHBondContact OG1-NH2 3.41Å
293C94.8Very high96Very high56 Ų5651.6 Ų51.638%0.37831%0.308SS..THydrogen-bonded Turntrans-82.4-4.617367.40000113.5C291 C334C291-C293 PolarHBondContact O-N 3.31Å; C291-C293 VanDerWaalsContact SG-SG 3.67Å; C293-C334 HydrophobicContact CB-CB 3.62Å; C293-C334 WeakPolarHBondContact SG-CB 3.18Å
294G95.6Very high96.1Very high57 Ų5750.9 Ų50.959%0.58830%0.303SS*.SBendtrans93.9-12.6-176.700000114.9C291 T292C291-G294 WeakPolarHBondContact O-CA 3.29Å; C291-G294 PolarHBondContact O-N 2.73Å; T292-G294 VanDerWaalsContact C-N 3.28Å
295A96.4Very high96.1Very high23 Ų2348.7 Ų48.719%0.1929%0.285CS..PPolyproline II helixtrans-76.9148.5177.100000112C291 A332C291-A295 WeakPolarHBondContact CB-O 3.07Å; C291-A295 PolarHBondContact N-O 3.05Å; A295-A332 HydrophobicContact CB-CB 3.84Å
296N97Very high96.1Very high118 Ų11843 Ų4363%0.63125%0.254SS*.PPolyproline II helixtrans-62.2158.4173.9-65.9-8.9000111.6S331N296-S331 WeakPolarHBondContact O-CB 3.48Å; N296-S331 PolarHBondContact O-N 3.13Å; N296-S331 PolarHBondContact O-OG 3.39Å; N296-S331 VanDerWaalsContact O-OG 3.06Å
297R97.4Very high96.2Very high31 Ų3134 Ų3412%0.11721%0.212CC..EExtended strand (participates in β ladder)trans-97.8141.1167.9-63.6-175170.6102.4-7.5109.7I288 P289 P290 C291 T329 L342 E343I288-R297 HydrophobicContact CG2-CB 3.82Å; P289-R297 PolarHBondContact O-NH1 3.36Å; P290-R297 VanDerWaalsContact C-NH1 3.34Å; P290-R297 PolarHBondContact O-NH1 2.92Å; C291-R297 HydrophobicContact CB-CG 4.4Å; R297-T329 CarbonylContact C-O 3.49Å; R297-T329 WeakPolarHBondContact CA-O 3.5Å; R297-L342 PolarHBondContact NH2-O 2.73Å; R297-L342 VanDerWaalsContact NH2-O 3.15Å; R297-E343 IonicContact NE-OE2 3.11Å; R297-E343 PolarHBondContact NE-OE2 2.8Å; R297-E343 VanDerWaalsContact NE-OE2 3.11Å
298T96.9Very high96Very high46 Ų4631.7 Ų31.728%0.28220%0.199SC..EExtended strand (participates in β ladder)trans-118.5151.3177.951.10000109.3E300 Y328 T329T298-E300 PolarHBondContact O-N 3.03Å; T298-Y328 CarbonylContact O-C 3.55Å; T298-Y328 VanDerWaalsContact O-CA 3.26Å; T298-Y328 WeakPolarHBondContact O-CA 3.35Å; T298-T329 PolarHBondContact N-O 2.81Å; T298-T329 PolarHBondContact O-N 2.64Å
299F97.9Very high95.6Very high10 Ų1037.2 Ų37.24%0.04423%0.229CC..EExtended strand (participates in β ladder)trans-53.3139.9173.1174.8-110.6000110.8S269 G271 P274 F301 Q302 T326 Y328S269-F299 WeakPolarHBondContact O-CD1 3.47Å; S269-F299 WeakPolarHBondContact O-CE1 3.23Å; G271-F299 PolarHBondContact N-O 3.09Å; P274-F299 HydrophobicContact CB-CD2 4.34Å; P274-F299 HydrophobicContact CB-CE2 3.99Å; P274-F299 HydrophobicContact CB-CZ 4.35Å; P274-F299 HydrophobicContact CG-CD2 3.56Å; P274-F299 HydrophobicContact CG-CE2 3.73Å; P274-F299 HydrophobicContact CG-CG 4Å; P274-F299 HydrophobicContact CG-CZ 4.33Å; F299-F301 VanDerWaalsContact CE2-O 3.25Å; F299-F301 WeakPolarHBondContact CE2-O 3.39Å; F299-F301 VanDerWaalsContact CZ-C 3.47Å; F299-Q302 HydrophobicContact CE2-CB 4.06Å; F299-Q302 HydrophobicContact CZ-CB 4.09Å; F299-Q302 HydrophobicContact CZ-CG 4.31Å; F299-T326 HydrophobicContact CE2-CG2 4.32Å; F299-Y328 HydrophobicContact CB-CD1 4.15Å; F299-Y328 HydrophobicContact CB-CE1 3.93Å
300E97.9Very high94.9Very high0 Ų036 Ų360%022%0.221CC..EExtended strand (participates in β ladder)trans-120.7-57.3179-173.594.2-172.200111.4R75 L77 Y268 S269 R270 T298 V327 T329R75-E300 IonicContact CZ-OE1 3.44Å; R75-E300 IonicContact CZ-OE2 3.75Å; R75-E300 IonicContact NH1-OE1 2.72Å; R75-E300 PolarHBondContact NH1-OE1 2.86Å; R75-E300 IonicContact NH1-OE2 3.79Å; R75-E300 VanDerWaalsContact NH2-CD 3.31Å; R75-E300 IonicContact NH2-OE1 3.27Å; R75-E300 PolarHBondContact NH2-OE1 2.98Å; R75-E300 IonicContact NH2-OE2 2.86Å; R75-E300 PolarHBondContact NH2-OE2 2.74Å; L77-E300 HydrophobicContact CD1-CB 4.5Å; L77-E300 HydrophobicContact CD1-CG 3.55Å; Y268-E300 HydrophobicContact CE2-CG 3.82Å; Y268-E300 PolarHBondContact OH-OE1 3.02Å; S269-E300 CarbonylContact C-O 3.49Å; S269-E300 VanDerWaalsContact C-O 3.31Å; S269-E300 PolarHBondContact N-O 2.91Å; R270-E300 WeakPolarHBondContact CD-OE2 3.35Å; R270-E300 PolarHBondContact N-O 2.85Å; R270-E300 IonicContact NE-OE2 3.37Å; R270-E300 PolarHBondContact NE-OE2 3.2Å; T298-E300 PolarHBondContact O-N 3.03Å; E300-V327 PolarHBondContact N-O 3.03Å; E300-T329 HydrophobicContact CB-CG2 3.76Å; E300-T329 HydrophobicContact CG-CG2 4Å; E300-T329 PolarHBondContact OE2-OG1 3.09Å
301F98.5Very high94.3Very high0 Ų032.4 Ų32.40%020%0.198CC..EExtended strand (participates in β ladder)trans-154.9162.5177.971.2-92.3000111L60 V62 L77 I266 R267 Y268 F299 V303 V327L60-F301 HydrophobicContact CD1-CE2 4.07Å; L60-F301 HydrophobicContact CD1-CZ 4.09Å; V62-F301 HydrophobicContact CG2-CE1 4.27Å; V62-F301 HydrophobicContact CG2-CE2 4.35Å; V62-F301 HydrophobicContact CG2-CZ 4.15Å; L77-F301 HydrophobicContact CB-CE1 4.01Å; L77-F301 HydrophobicContact CD1-CD1 3.98Å; L77-F301 HydrophobicContact CD1-CE1 3.68Å; L77-F301 HydrophobicContact CG-CE1 4.48Å; I266-F301 HydrophobicContact CD1-CD2 4.35Å; I266-F301 HydrophobicContact CD1-CE2 4.34Å; I266-F301 HydrophobicContact CG2-CB 4.14Å; I266-F301 HydrophobicContact CG2-CD2 3.98Å; I266-F301 HydrophobicContact CG2-CG 4.41Å; R267-F301 CarbonylContact O-C 3.58Å; R267-F301 VanDerWaalsContact O-CA 3.27Å; R267-F301 WeakPolarHBondContact O-CA 3.33Å; R267-F301 WeakPolarHBondContact O-CB 3.28Å; Y268-F301 HydrophobicContact CD2-CB 3.79Å; Y268-F301 HydrophobicContact CG-CB 4.4Å; F299-F301 VanDerWaalsContact CE2-O 3.25Å; F299-F301 WeakPolarHBondContact CE2-O 3.39Å; F299-F301 VanDerWaalsContact CZ-C 3.47Å; F301-V303 HydrophobicContact CD2-CG2 4.27Å; F301-V303 HydrophobicContact CE2-CG2 3.81Å; F301-V327 HydrophobicContact CD1-CB 4.04Å; F301-V327 HydrophobicContact CD1-CG1 4.25Å; F301-V327 HydrophobicContact CD2-CG2 4.39Å; F301-V327 HydrophobicContact CE1-CB 3.79Å; F301-V327 HydrophobicContact CE1-CG1 3.77Å; F301-V327 HydrophobicContact CE1-CG2 3.94Å; F301-V327 HydrophobicContact CE2-CB 4.31Å; F301-V327 HydrophobicContact CE2-CG2 3.8Å; F301-V327 HydrophobicContact CG-CB 4.41Å; F301-V327 HydrophobicContact CZ-CB 3.95Å; F301-V327 HydrophobicContact CZ-CG1 4.22Å; F301-V327 HydrophobicContact CZ-CG2 3.55Å; F301-V327 PolarHBondContact O-N 2.93Å
302Q98.1Very high93.1Very high2 Ų236.1 Ų36.11%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-123145.8170.865.8-176.877.600111.3I266 R267 P274 L275 F299 M304 V325 T326I266-Q302 CarbonylContact C-O 3.52Å; I266-Q302 VanDerWaalsContact CA-O 3.25Å; I266-Q302 WeakPolarHBondContact CA-O 3.33Å; I266-Q302 WeakPolarHBondContact CG2-O 3.39Å; R267-Q302 HydrophobicContact CB-CG 3.72Å; R267-Q302 HydrophobicContact CG-CG 4.22Å; R267-Q302 PolarHBondContact N-O 2.87Å; R267-Q302 PolarHBondContact O-N 3.06Å; P274-Q302 VanDerWaalsContact CA-OE1 3.31Å; L275-Q302 PolarHBondContact O-NE2 3.38Å; F299-Q302 HydrophobicContact CE2-CB 4.06Å; F299-Q302 HydrophobicContact CZ-CB 4.09Å; F299-Q302 HydrophobicContact CZ-CG 4.31Å; Q302-M304 HydrophobicContact CG-SD 3.96Å; Q302-M304 PolarHBondContact NE2-SD 2.84Å; Q302-V325 CarbonylContact C-O 3.55Å; Q302-V325 VanDerWaalsContact CA-O 3.25Å; Q302-V325 WeakPolarHBondContact CA-O 3.35Å; Q302-T326 HydrophobicContact CB-CG2 3.98Å
303V98.3Very high91.8Very high0 Ų033.7 Ų33.70%021%0.208CC..EExtended strand (participates in β ladder)trans-97.2127.4171.7-172.60000108.2L60 L79 F301 L307 W322 V325L60-V303 HydrophobicContact CD2-CG1 4.18Å; L60-V303 HydrophobicContact CD2-CG2 3.84Å; L79-V303 HydrophobicContact CD2-CG2 3.77Å; F301-V303 HydrophobicContact CD2-CG2 4.27Å; F301-V303 HydrophobicContact CE2-CG2 3.81Å; V303-L307 HydrophobicContact CG1-CB 4.13Å; V303-L307 HydrophobicContact CG1-CD2 3.38Å; V303-L307 HydrophobicContact CG1-CG 4.37Å; V303-W322 HydrophobicContact CG1-CZ2 4.1Å; V303-V325 HydrophobicContact CB-CB 4.15Å; V303-V325 HydrophobicContact CG2-CB 4.48Å; V303-V325 PolarHBondContact N-O 3Å; V303-V325 PolarHBondContact O-N 2.98Å; V303-V325 VanDerWaalsContact O-N 3.09Å
304M96.6Very high89.8Confident0 Ų038.1 Ų38.10%023%0.228CC..  trans-84.8155-175.8-58.4-58.8-6500110.6F254 I258 Q264 M265 R267 Q302 Q306 L307 W322F254-M304 HydrophobicContact CE2-CE 3.68Å; F254-M304 HydrophobicContact CZ-CE 3.74Å; I258-M304 HydrophobicContact CG2-CE 3.68Å; Q264-M304 HydrophobicContact CG-CE 4.4Å; Q264-M304 HydrophobicContact CG-CG 4.18Å; Q264-M304 VanDerWaalsContact O-CB 3.24Å; Q264-M304 WeakPolarHBondContact O-CB 3.42Å; M265-M304 WeakPolarHBondContact O-CB 3.34Å; M265-M304 PolarHBondContact O-N 3.43Å; R267-M304 HydrophobicContact CG-CG 4.25Å; R267-M304 HydrophobicContact CG-SD 3.85Å; Q302-M304 HydrophobicContact CG-SD 3.96Å; Q302-M304 PolarHBondContact NE2-SD 2.84Å; M304-Q306 PolarHBondContact O-N 3.19Å; M304-L307 PolarHBondContact O-N 2.78Å; M304-W322 PolarHBondContact O-NE1 2.94Å; M304-W322 VanDerWaalsContact O-NE1 3.14Å
305P93.4Very high87.6Confident5 Ų539.5 Ų39.53%0.03223%0.229CC..G310 helixtrans-64.4-26.8-179.724-30.3000112.1F254 L307 L308 G323 F350F254-P305 HydrophobicContact CZ-CG 4.15Å; P305-L307 PolarHBondContact O-N 2.98Å; P305-L307 VanDerWaalsContact O-N 3.09Å; P305-L308 VanDerWaalsContact O-CB 3.24Å; P305-L308 WeakPolarHBondContact O-CB 3.39Å; P305-L308 WeakPolarHBondContact O-CD1 3.36Å; P305-L308 VanDerWaalsContact O-CG 3.28Å; P305-L308 WeakPolarHBondContact O-CG 3.15Å; P305-L308 PolarHBondContact O-N 2.74Å; P305-G323 WeakPolarHBondContact CD-O 3.4Å; P305-G323 WeakPolarHBondContact CG-O 3.41Å; P305-F350 HydrophobicContact CB-CE2 4.1Å; P305-F350 HydrophobicContact CB-CZ 3.93Å; P305-F350 HydrophobicContact CG-CZ 3.88Å
306Q91.6Very high85Confident31 Ų3146 Ų4615%0.14527%0.266CS..G310 helixtrans-59.4-24.3179.2-68.193.1-28.900113.7P262 M265 M304 L308 N309P262-Q306 WeakPolarHBondContact O-CG 3.47Å; P262-Q306 PolarHBondContact O-NE2 3.5Å; M265-Q306 HydrophobicContact CE-CB 4.23Å; M265-Q306 HydrophobicContact SD-CB 3.57Å; M265-Q306 VanDerWaalsContact SD-CB 3.57Å; M304-Q306 PolarHBondContact O-N 3.19Å; Q306-L308 PolarHBondContact O-N 3.19Å; Q306-N309 PolarHBondContact O-N 2.93Å
307L94.1Very high82.4Confident0 Ų044.2 Ų44.20%028%0.276CS..G310 helixtrans-60-29.8176.1-178.465.4000111.7L12 V29 L59 L60 M265 V303 M304 P305 N309 S310 L311 W322L12-L307 HydrophobicContact CD1-CD1 3.97Å; V29-L307 HydrophobicContact CB-CD1 4.47Å; V29-L307 HydrophobicContact CG1-CD1 3.89Å; V29-L307 HydrophobicContact CG2-CD1 3.84Å; L59-L307 HydrophobicContact CD1-CD2 4.17Å; L59-L307 HydrophobicContact CG-CD2 4.44Å; L60-L307 HydrophobicContact CD2-CD2 3.77Å; M265-L307 HydrophobicContact CB-CB 4.43Å; M265-L307 HydrophobicContact CB-CD1 4.28Å; M265-L307 HydrophobicContact CG-CD1 4.43Å; M265-L307 VanDerWaalsContact SD-CA 3.53Å; M265-L307 HydrophobicContact SD-CB 4.2Å; M265-L307 PolarHBondContact SD-N 2.97Å; V303-L307 HydrophobicContact CG1-CB 4.13Å; V303-L307 HydrophobicContact CG1-CD2 3.38Å; V303-L307 HydrophobicContact CG1-CG 4.37Å; M304-L307 PolarHBondContact O-N 2.78Å; P305-L307 PolarHBondContact O-N 2.98Å; P305-L307 VanDerWaalsContact O-N 3.09Å; L307-N309 PolarHBondContact O-N 3.07Å; L307-N309 VanDerWaalsContact O-N 3.16Å; L307-S310 PolarHBondContact O-N 3.49Å; L307-S310 VanDerWaalsContact O-N 3.09Å; L307-S310 PolarHBondContact O-OG 3.32Å; L307-L311 HydrophobicContact CG-CD2 4.48Å; L307-L311 WeakPolarHBondContact O-CG 3.31Å; L307-W322 HydrophobicContact CB-CZ2 4.21Å; L307-W322 HydrophobicContact CD2-CZ2 4.22Å; L307-W322 HydrophobicContact CG-CZ2 4.42Å
308L90.9Very high80.3Confident31 Ų3145 Ų4516%0.16229%0.288CS..G310 helixtrans-55.8-34.1179.7-67.8169.3000112.8P305 Q306 S310 L311 I320 W322P305-L308 VanDerWaalsContact O-CB 3.24Å; P305-L308 WeakPolarHBondContact O-CB 3.39Å; P305-L308 WeakPolarHBondContact O-CD1 3.36Å; P305-L308 VanDerWaalsContact O-CG 3.28Å; P305-L308 WeakPolarHBondContact O-CG 3.15Å; P305-L308 PolarHBondContact O-N 2.74Å; Q306-L308 PolarHBondContact O-N 3.19Å; L308-S310 VanDerWaalsContact C-N 3.28Å; L308-S310 PolarHBondContact O-N 3.34Å; L308-L311 HydrophobicContact CD2-CD1 4.37Å; L308-L311 PolarHBondContact O-N 3.37Å; L308-I320 HydrophobicContact CD2-CB 4.43Å; L308-I320 HydrophobicContact CD2-CG2 3.77Å; L308-I320 WeakPolarHBondContact CD2-O 3.29Å; L308-W322 HydrophobicContact CD1-CD2 4.25Å; L308-W322 HydrophobicContact CD1-CG 4.49Å; L308-W322 HydrophobicContact CD2-CD2 3.79Å; L308-W322 HydrophobicContact CD2-CE3 3.53Å; L308-W322 HydrophobicContact CD2-CH2 3.38Å; L308-W322 HydrophobicContact CD2-CZ2 3.58Å; L308-W322 HydrophobicContact CD2-CZ3 3.36Å; L308-W322 HydrophobicContact CG-CD2 4.1Å; L308-W322 HydrophobicContact CG-CE3 4.34Å; L308-W322 HydrophobicContact CG-CH2 4.12Å; L308-W322 HydrophobicContact CG-CZ2 3.79Å; L308-W322 HydrophobicContact CG-CZ3 4.39Å
309N87.7Confident78.9Confident138 Ų13846.2 Ų46.274%0.73830%0.299SS*.G310 helixtrans-68-26.9-178.2-66.2-23.3000112.7Q306 L307Q306-N309 PolarHBondContact O-N 2.93Å; L307-N309 PolarHBondContact O-N 3.07Å; L307-N309 VanDerWaalsContact O-N 3.16Å
310S84Confident78.3Confident29 Ų2945.9 Ų45.920%0.20330%0.298CS..G310 helixtrans-89.6-9.5-179.972.50000113.7L12 L307 L308 C312L12-S310 VanDerWaalsContact CD1-OG 3.29Å; L12-S310 WeakPolarHBondContact CD1-OG 3.32Å; L307-S310 PolarHBondContact O-N 3.49Å; L307-S310 VanDerWaalsContact O-N 3.09Å; L307-S310 PolarHBondContact O-OG 3.32Å; L308-S310 VanDerWaalsContact C-N 3.28Å; L308-S310 PolarHBondContact O-N 3.34Å; S310-C312 VanDerWaalsContact C-N 3.25Å; S310-C312 PolarHBondContact O-N 3.15Å
311L83.4Confident77.8Confident4 Ų448.7 Ų48.72%0.02131%0.313CS..SBendtrans-77.9-7.1-177.1-61.2-176.6000113.8V29 L59 F191 L307 L308 V313 W322V29-L311 HydrophobicContact CG1-CD2 4.19Å; L59-L311 HydrophobicContact CD1-CD1 3.83Å; L59-L311 HydrophobicContact CD1-CD2 3.72Å; L59-L311 HydrophobicContact CD1-CG 4.45Å; F191-L311 HydrophobicContact CB-CD2 4.06Å; F191-L311 HydrophobicContact CD1-CB 3.75Å; F191-L311 HydrophobicContact CD1-CD2 3.89Å; F191-L311 HydrophobicContact CD1-CG 4.24Å; F191-L311 WeakPolarHBondContact CD1-O 3.38Å; F191-L311 HydrophobicContact CD2-CD2 4.03Å; F191-L311 HydrophobicContact CE1-CB 3.88Å; F191-L311 HydrophobicContact CE1-CD1 4.13Å; F191-L311 HydrophobicContact CE1-CD2 4.3Å; F191-L311 HydrophobicContact CE1-CG 4.32Å; F191-L311 HydrophobicContact CE2-CD2 4.41Å; F191-L311 HydrophobicContact CG-CB 4.48Å; F191-L311 HydrophobicContact CG-CD2 3.74Å; F191-L311 HydrophobicContact CZ-CD1 4.16Å; L307-L311 HydrophobicContact CG-CD2 4.48Å; L307-L311 WeakPolarHBondContact O-CG 3.31Å; L308-L311 HydrophobicContact CD2-CD1 4.37Å; L308-L311 PolarHBondContact O-N 3.37Å; L311-V313 VanDerWaalsContact C-N 3.26Å; L311-V313 HydrophobicContact CB-CG2 3.83Å; L311-V313 PolarHBondContact O-N 3.22Å; L311-W322 HydrophobicContact CD1-CH2 3.79Å; L311-W322 HydrophobicContact CD1-CZ3 4.49Å
312C70.8Confident77.6Confident82 Ų8248.7 Ų48.755%0.55431%0.313SS*.  trans46.245.7179.3-60.80000113.4P192 S310 D314P192-C312 HydrophobicContact CG-CB 4.08Å; S310-C312 VanDerWaalsContact C-N 3.25Å; S310-C312 PolarHBondContact O-N 3.15Å; C312-D314 PolarHBondContact O-N 3.38Å
313V66.5Low77.4Confident44 Ų4448.6 Ų48.627%0.26731%0.312SS..  trans-80.869.3178.8-168.70000109.3F191 L311 S315 I320F191-V313 HydrophobicContact CE1-CG2 4.03Å; L311-V313 VanDerWaalsContact C-N 3.26Å; L311-V313 HydrophobicContact CB-CG2 3.83Å; L311-V313 PolarHBondContact O-N 3.22Å; V313-S315 VanDerWaalsContact C-N 3.31Å; V313-S315 PolarHBondContact O-N 3.49Å; V313-I320 HydrophobicContact CG2-CD1 4.07Å; V313-I320 HydrophobicContact CG2-CG1 4.47Å
314D52Low77.2Confident150 Ų15048.6 Ų48.680%0.80231%0.312SS*.  trans-7781.8178.8-66.4-29.1000110C312C312-D314 PolarHBondContact O-N 3.38Å
315S49.2Very low77.3Confident86 Ų8648.7 Ų48.760%0.60131%0.313SS*.  trans-144.5100.4164.5-69.60000108.8V313 G317V313-S315 VanDerWaalsContact C-N 3.31Å; V313-S315 PolarHBondContact O-N 3.49Å; S315-G317 PolarHBondContact O-N 3.33Å
316T43.3Very low77.6Confident158 Ų15848.4 Ų48.497%0.96931%0.311SS*.THydrogen-bonded Turntrans-53.999.2176.344.80000110.8
317G42.5Very low77.9Confident82 Ų8247 Ų4785%0.84530%0.304SS*.THydrogen-bonded Turntrans157.7-36.4165.600000115.6S315S315-G317 PolarHBondContact O-N 3.33Å
318A51.7Low78.1Confident46 Ų4647.6 Ų47.638%0.3831%0.307SS..  trans-159.9108.5174.900000108.2P85P85-A318 HydrophobicContact CB-CB 3.27Å; P85-A318 WeakPolarHBondContact CB-O 3.45Å; P85-A318 HydrophobicContact CG-CB 4.01Å; P85-A318 WeakPolarHBondContact CG-O 3.38Å
319S69.1Low78.5Confident72 Ų7246.1 Ų46.150%0.50330%0.299SS..  trans-91.2158176.353.30000110D321S319-D321 PolarHBondContact O-N 3.46Å
320I85.1Confident78.9Confident4 Ų439.6 Ų39.62%0.02126%0.264CS..  trans-53.8134.3159.3-66.1179.3000107.5Y88 F191 L308 V313 W322Y88-I320 HydrophobicContact CD1-CG2 4.45Å; Y88-I320 HydrophobicContact CE1-CB 4.44Å; Y88-I320 HydrophobicContact CE1-CG2 3.68Å; Y88-I320 HydrophobicContact CE2-CB 4.27Å; Y88-I320 HydrophobicContact CE2-CG1 3.79Å; Y88-I320 HydrophobicContact CE2-CG2 4.25Å; Y88-I320 WeakPolarHBondContact OH-CG2 3.25Å; F191-I320 HydrophobicContact CE1-CD1 4Å; F191-I320 HydrophobicContact CZ-CD1 3.68Å; L308-I320 HydrophobicContact CD2-CB 4.43Å; L308-I320 HydrophobicContact CD2-CG2 3.77Å; L308-I320 WeakPolarHBondContact CD2-O 3.29Å; V313-I320 HydrophobicContact CG2-CD1 4.07Å; V313-I320 HydrophobicContact CG2-CG1 4.47Å; I320-W322 HydrophobicContact CG2-CE3 3.83Å; I320-W322 HydrophobicContact CG2-CH2 4.17Å; I320-W322 HydrophobicContact CG2-CZ3 3.25Å
321D87.4Confident79.5Confident58 Ų5840.6 Ų40.631%0.3127%0.271SS..  trans-150.2145.4-175.2-165.718.5000112.4Y88 S319 K347Y88-D321 VanDerWaalsContact CD1-O 3.3Å; Y88-D321 WeakPolarHBondContact CD1-O 3.33Å; S319-D321 PolarHBondContact O-N 3.46Å; D321-K347 WeakPolarHBondContact O-CE 3.18Å
322W93.2Very high80Confident1 Ų142.9 Ų42.90%0.00429%0.291CS..  trans-164153172.66080.7000110.9L59 Y88 F96 V303 M304 L307 L308 L311 I320 V325 K347 D349L59-W322 HydrophobicContact CD1-CH2 4.38Å; L59-W322 HydrophobicContact CD2-CH2 4.08Å; Y88-W322 HydrophobicContact CE1-CE3 4.38Å; F96-W322 HydrophobicContact CE1-CE3 4.42Å; F96-W322 HydrophobicContact CE1-CZ3 4.25Å; F96-W322 HydrophobicContact CZ-CD2 4.48Å; F96-W322 AromaticContact CZ-CE3 3.7Å; F96-W322 HydrophobicContact CZ-CE3 3.7Å; F96-W322 AromaticContact CZ-CZ3 3.88Å; F96-W322 HydrophobicContact CZ-CZ3 3.88Å; V303-W322 HydrophobicContact CG1-CZ2 4.1Å; M304-W322 PolarHBondContact O-NE1 2.94Å; M304-W322 VanDerWaalsContact O-NE1 3.14Å; L307-W322 HydrophobicContact CB-CZ2 4.21Å; L307-W322 HydrophobicContact CD2-CZ2 4.22Å; L307-W322 HydrophobicContact CG-CZ2 4.42Å; L308-W322 HydrophobicContact CD1-CD2 4.25Å; L308-W322 HydrophobicContact CD1-CG 4.49Å; L308-W322 HydrophobicContact CD2-CD2 3.79Å; L308-W322 HydrophobicContact CD2-CE3 3.53Å; L308-W322 HydrophobicContact CD2-CH2 3.38Å; L308-W322 HydrophobicContact CD2-CZ2 3.58Å; L308-W322 HydrophobicContact CD2-CZ3 3.36Å; L308-W322 HydrophobicContact CG-CD2 4.1Å; L308-W322 HydrophobicContact CG-CE3 4.34Å; L308-W322 HydrophobicContact CG-CH2 4.12Å; L308-W322 HydrophobicContact CG-CZ2 3.79Å; L308-W322 HydrophobicContact CG-CZ3 4.39Å; L311-W322 HydrophobicContact CD1-CH2 3.79Å; L311-W322 HydrophobicContact CD1-CZ3 4.49Å; I320-W322 HydrophobicContact CG2-CE3 3.83Å; I320-W322 HydrophobicContact CG2-CH2 4.17Å; I320-W322 HydrophobicContact CG2-CZ3 3.25Å; W322-V325 HydrophobicContact CB-CG2 3.91Å; W322-V325 HydrophobicContact CD2-CG2 3.99Å; W322-V325 HydrophobicContact CG-CG2 3.66Å; W322-K347 HydrophobicContact CB-CD 4.17Å; W322-K347 HydrophobicContact CB-CG 4.21Å; W322-D349 WeakPolarHBondContact CA-OD1 3.22Å
323G93.8Very high81.2Confident0 Ų039 Ų390%027%0.265CS..SBendtrans-83.8-47.1167.600000112.2P305 Q348P305-G323 WeakPolarHBondContact CD-O 3.4Å; P305-G323 WeakPolarHBondContact CG-O 3.41Å; G323-Q348 CarbonylContact C-O 3.4Å; G323-Q348 VanDerWaalsContact CA-O 3.23Å; G323-Q348 WeakPolarHBondContact CA-O 3.38Å; G323-Q348 PolarHBondContact N-O 3.17Å
324T95.8Very high82.5Confident0 Ų037.7 Ų37.70%026%0.257CS..EExtended strand (participates in β ladder)trans-155.1145.5170.8-177.10000110.2W276 Q348W276-T324 HydrophobicContact CE3-CG2 3.77Å; W276-T324 HydrophobicContact CZ3-CG2 4.06Å; T324-Q348 HydrophobicContact CG2-CB 3.88Å; T324-Q348 PolarHBondContact N-O 2.82Å; T324-Q348 PolarHBondContact O-N 3Å
325V98.3Very high84.1Confident1 Ų133 Ų331%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-120.1115.6173179.90000108.7F96 Q302 V303 W322 V345 W346 K347F96-V325 HydrophobicContact CD1-CG1 4.36Å; F96-V325 HydrophobicContact CE1-CG1 4.46Å; F96-V325 HydrophobicContact CE1-CG2 4.18Å; F96-V325 HydrophobicContact CE2-CG2 4.39Å; F96-V325 HydrophobicContact CZ-CG2 3.97Å; Q302-V325 CarbonylContact C-O 3.55Å; Q302-V325 VanDerWaalsContact CA-O 3.25Å; Q302-V325 WeakPolarHBondContact CA-O 3.35Å; V303-V325 HydrophobicContact CB-CB 4.15Å; V303-V325 HydrophobicContact CG2-CB 4.48Å; V303-V325 PolarHBondContact N-O 3Å; V303-V325 PolarHBondContact O-N 2.98Å; V303-V325 VanDerWaalsContact O-N 3.09Å; W322-V325 HydrophobicContact CB-CG2 3.91Å; W322-V325 HydrophobicContact CD2-CG2 3.99Å; W322-V325 HydrophobicContact CG-CG2 3.66Å; V325-V345 HydrophobicContact CG1-CG2 3.38Å; V325-W346 CarbonylContact C-O 3.31Å; V325-W346 WeakPolarHBondContact CA-O 3.41Å; V325-K347 HydrophobicContact CG2-CB 4.36Å; V325-K347 HydrophobicContact CG2-CG 4.42Å
326T98.5Very high85.6Confident0 Ų032.8 Ų32.80%022%0.221CC..EExtended strand (participates in β ladder)trans-104.7140.4-17761.60000110.6P274 W276 F299 Q302 Y328 V345 W346P274-T326 HydrophobicContact CB-CG2 3.64Å; P274-T326 HydrophobicContact CG-CG2 4.04Å; W276-T326 HydrophobicContact CE3-CG2 4.46Å; W276-T326 HydrophobicContact CH2-CG2 3.66Å; W276-T326 HydrophobicContact CZ2-CG2 4.41Å; W276-T326 HydrophobicContact CZ3-CG2 3.69Å; F299-T326 HydrophobicContact CE2-CG2 4.32Å; Q302-T326 HydrophobicContact CB-CG2 3.98Å; T326-Y328 VanDerWaalsContact OG1-CE2 3.28Å; T326-Y328 WeakPolarHBondContact OG1-CE2 3.48Å; T326-V345 WeakPolarHBondContact O-CA 3.48Å; T326-W346 PolarHBondContact N-O 3.01Å; T326-W346 PolarHBondContact O-N 2.92Å; T326-W346 WeakPolarHBondContact OG1-CB 3.25Å; T326-W346 PolarHBondContact OG1-O 3.11Å
327V98.7Very high87.7Confident0 Ų027 Ų270%019%0.194CC..EExtended strand (participates in β ladder)trans-114.8129.9-178.7173.70000109.4V98 E300 F301 T329V98-V327 HydrophobicContact CG1-CG1 4.38Å; V98-V327 HydrophobicContact CG2-CG1 3.8Å; V98-V327 HydrophobicContact CG2-CG2 4.46Å; E300-V327 PolarHBondContact N-O 3.03Å; F301-V327 HydrophobicContact CD1-CB 4.04Å; F301-V327 HydrophobicContact CD1-CG1 4.25Å; F301-V327 HydrophobicContact CD2-CG2 4.39Å; F301-V327 HydrophobicContact CE1-CB 3.79Å; F301-V327 HydrophobicContact CE1-CG1 3.77Å; F301-V327 HydrophobicContact CE1-CG2 3.94Å; F301-V327 HydrophobicContact CE2-CB 4.31Å; F301-V327 HydrophobicContact CE2-CG2 3.8Å; F301-V327 HydrophobicContact CG-CB 4.41Å; F301-V327 HydrophobicContact CZ-CB 3.95Å; F301-V327 HydrophobicContact CZ-CG1 4.22Å; F301-V327 HydrophobicContact CZ-CG2 3.55Å; F301-V327 PolarHBondContact O-N 2.93Å; V327-T329 HydrophobicContact CG1-CG2 4.05Å
328Y98.6Very high89.8Confident14 Ų1425.5 Ų25.56%0.05517%0.166CC..EExtended strand (participates in β ladder)trans-117.7128.8177.3-61.7-100.3000109.7P283 I288 T298 F299 T326 F344 W346P283-Y328 HydrophobicContact CG-CE2 4.46Å; P283-Y328 WeakPolarHBondContact CG-OH 3.43Å; I288-Y328 HydrophobicContact CD1-CD1 3.71Å; I288-Y328 HydrophobicContact CD1-CE1 3.44Å; I288-Y328 VanDerWaalsContact CD1-CE1 3.44Å; I288-Y328 HydrophobicContact CD1-CE2 4.42Å; I288-Y328 HydrophobicContact CD1-CG 4.34Å; I288-Y328 HydrophobicContact CG1-CD1 4.46Å; I288-Y328 HydrophobicContact CG1-CE1 4.45Å; I288-Y328 HydrophobicContact CG2-CD1 4.38Å; I288-Y328 HydrophobicContact CG2-CG 4.35Å; T298-Y328 CarbonylContact O-C 3.55Å; T298-Y328 VanDerWaalsContact O-CA 3.26Å; T298-Y328 WeakPolarHBondContact O-CA 3.35Å; F299-Y328 HydrophobicContact CB-CD1 4.15Å; F299-Y328 HydrophobicContact CB-CE1 3.93Å; T326-Y328 VanDerWaalsContact OG1-CE2 3.28Å; T326-Y328 WeakPolarHBondContact OG1-CE2 3.48Å; Y328-F344 AromaticContact CD2-CD1 3.79Å; Y328-F344 HydrophobicContact CD2-CD1 3.79Å; Y328-F344 HydrophobicContact CD2-CE1 4.37Å; Y328-F344 HydrophobicContact CG-CD1 4.23Å; Y328-F344 PolarHBondContact N-O 3.36Å; Y328-F344 PolarHBondContact O-N 3.33Å; Y328-W346 HydrophobicContact CE2-CB 4.14Å
329T98.1Very high91.8Very high0 Ų028.4 Ų28.40%017%0.172CC..EExtended strand (participates in β ladder)trans-122.3158.9-177.280.90000111.7R75 L77 R297 T298 E300 V327 S331 E343R75-T329 PolarHBondContact NH2-OG1 3.29Å; L77-T329 HydrophobicContact CD1-CG2 3.87Å; L77-T329 HydrophobicContact CD2-CG2 3.64Å; L77-T329 HydrophobicContact CG-CG2 4.44Å; R297-T329 CarbonylContact C-O 3.49Å; R297-T329 WeakPolarHBondContact CA-O 3.5Å; T298-T329 PolarHBondContact N-O 2.81Å; T298-T329 PolarHBondContact O-N 2.64Å; E300-T329 HydrophobicContact CB-CG2 3.76Å; E300-T329 HydrophobicContact CG-CG2 4Å; E300-T329 PolarHBondContact OE2-OG1 3.09Å; V327-T329 HydrophobicContact CG1-CG2 4.05Å; T329-S331 PolarHBondContact O-N 2.91Å; T329-E343 WeakPolarHBondContact CA-OE2 3.42Å; T329-E343 HydrophobicContact CG2-CB 4.43Å; T329-E343 HydrophobicContact CG2-CG 4.18Å
330C97.4Very high93Very high0 Ų025.8 Ų25.80%015%0.151CC..EExtended strand (participates in β ladder)trans-50.3122.2175.5-1770000112.9C291 A332 S333 E343C291-C330 HydrophobicContact CB-CB 3.93Å; C291-C330 VanDerWaalsContact SG-SG 3.68Å; C330-A332 VanDerWaalsContact C-N 3.3Å; C330-A332 PolarHBondContact O-N 2.91Å; C330-S333 PolarHBondContact O-N 3.02Å; C330-E343 PolarHBondContact N-OE2 2.66Å
331S95.8Very high93.6Very high51 Ų5127.8 Ų27.836%0.35716%0.158SC..THydrogen-bonded Turntrans-61-38.5178.962.70000112.6R270 N296 T329 S333R270-S331 PolarHBondContact NH2-O 3.39Å; N296-S331 WeakPolarHBondContact O-CB 3.48Å; N296-S331 PolarHBondContact O-N 3.13Å; N296-S331 PolarHBondContact O-OG 3.39Å; N296-S331 VanDerWaalsContact O-OG 3.06Å; T329-S331 PolarHBondContact O-N 2.91Å; S331-S333 PolarHBondContact O-N 3.05Å
332A95Very high94Very high52 Ų5229.3 Ų29.343%0.4317%0.166SC..THydrogen-bonded Turntrans-76.5-7.8176.500000113.8Q69 A295 C330 C334Q69-A332 PolarHBondContact NE2-O 3.3Å; Q69-A332 VanDerWaalsContact NE2-O 3.08Å; A295-A332 HydrophobicContact CB-CB 3.84Å; C330-A332 VanDerWaalsContact C-N 3.3Å; C330-A332 PolarHBondContact O-N 2.91Å; A332-C334 VanDerWaalsContact C-N 3.28Å; A332-C334 PolarHBondContact O-N 2.93Å
333S95Very high94.2Very high1 Ų129.6 Ų29.61%0.00717%0.167CC..  trans45.953.1-170.6-160.90000111.7I66 Q69 R100 Q102 C330 S331I66-S333 WeakPolarHBondContact CD1-OG 3.21Å; Q69-S333 VanDerWaalsContact OE1-CB 3.27Å; R100-S333 PolarHBondContact NH1-O 2.57Å; R100-S333 PolarHBondContact NH1-OG 3.47Å; Q102-S333 PolarHBondContact NE2-O 3.12Å; Q102-S333 PolarHBondContact OE1-O 2.82Å; Q102-S333 PolarHBondContact OE1-OG 3.23Å; C330-S333 PolarHBondContact O-N 3.02Å; S331-S333 PolarHBondContact O-N 3.05Å
334C93.9Very high94.5Very high16 Ų1631.4 Ų31.411%0.10818%0.175CC..  trans-57143.2-173.372.90000112.2R100 Q102 C293 A332R100-C334 VanDerWaalsContact NH1-N 3.19Å; R100-C334 PolarHBondContact NH1-O 2.88Å; R100-C334 PolarHBondContact NH2-O 2.91Å; R100-C334 PolarHBondContact NH2-SG 2.82Å; R100-C334 VanDerWaalsContact NH2-SG 3.4Å; Q102-C334 PolarHBondContact OE1-O 2.86Å; C293-C334 HydrophobicContact CB-CB 3.62Å; C293-C334 WeakPolarHBondContact SG-CB 3.18Å; A332-C334 VanDerWaalsContact C-N 3.28Å; A332-C334 PolarHBondContact O-N 2.93Å
335N85.2Confident94.6Very high52 Ų5232 Ų3228%0.27818%0.179SC..  trans-109134.1-177.6-173.910.4000110.3G337N335-G337 PolarHBondContact OD1-N 3.4Å; N335-G337 PolarHBondContact OD1-O 2.99Å
336H82.1Confident94.6Very high80 Ų8033.3 Ų33.337%0.3718%0.184SC..  trans-12940.4173.4-64.6-82.9000111.1R341H336-R341 PolarHBondContact CD2-NE 3.41Å
337G85.8Confident94.5Very high38 Ų3833.4 Ų33.439%0.39218%0.184SC..THydrogen-bonded Turntrans70.5-140.8-17400000110.6N335 Q339N335-G337 PolarHBondContact OD1-N 3.4Å; N335-G337 PolarHBondContact OD1-O 2.99Å; G337-Q339 PolarHBondContact O-N 3.04Å
338D87.5Confident94.4Very high50 Ų5033.4 Ų33.427%0.26718%0.184SC..THydrogen-bonded Turntrans-81.28.2-172.9-61.4-22.7000114S37 R39S37-D338 WeakPolarHBondContact CB-O 3.13Å; S37-D338 WeakPolarHBondContact OG-CB 3.46Å; S37-D338 PolarHBondContact OG-O 2.96Å; R39-D338 HydrophobicContact CB-CB 3.94Å
339Q92.8Very high94.2Very high106 Ų10633.4 Ų33.450%0.49519%0.185SC..  trans-78.8142.5-176.3-67.2-169.7-5.300113G337G337-Q339 PolarHBondContact O-N 3.04Å
340Y96.3Very high93.7Very high17 Ų1733.6 Ų33.67%0.06719%0.186CC..  trans-78131169.3-71.5-110.7000109.8W35 L36 S37 G40 L41 P42 F78 F99 R100 S101W35-Y340 WeakPolarHBondContact CB-OH 3.49Å; W35-Y340 HydrophobicContact CE3-CD1 4.22Å; W35-Y340 AromaticContact CE3-CE1 3.34Å; W35-Y340 HydrophobicContact CE3-CE1 3.34Å; W35-Y340 HydrophobicContact CE3-CE2 4.47Å; W35-Y340 AromaticContact CE3-CZ 3.51Å; W35-Y340 AromaticContact CZ3-CD1 3.94Å; W35-Y340 HydrophobicContact CZ3-CD1 3.94Å; W35-Y340 AromaticContact CZ3-CE1 3.52Å; W35-Y340 HydrophobicContact CZ3-CE1 3.52Å; L36-Y340 PolarHBondContact N-OH 3.29Å; S37-Y340 PolarHBondContact N-OH 3.36Å; S37-Y340 VanDerWaalsContact N-OH 3.12Å; S37-Y340 WeakPolarHBondContact O-CE2 3.37Å; S37-Y340 PolarHBondContact O-OH 3.38Å; G40-Y340 VanDerWaalsContact O-CD2 3.29Å; G40-Y340 WeakPolarHBondContact O-CD2 3.5Å; G40-Y340 PolarHBondContact O-N 3.11Å; L41-Y340 HydrophobicContact CG-CE2 4.21Å; P42-Y340 HydrophobicContact CG-CD1 4.3Å; P42-Y340 HydrophobicContact CG-CG 4.09Å; F78-Y340 HydrophobicContact CD2-CD1 4.22Å; F78-Y340 AromaticContact CD2-CE1 3.9Å; F78-Y340 HydrophobicContact CD2-CE1 3.9Å; F78-Y340 HydrophobicContact CE2-CD1 4.28Å; F78-Y340 AromaticContact CE2-CE1 3.58Å; F78-Y340 HydrophobicContact CE2-CE1 3.58Å; F78-Y340 HydrophobicContact CZ-CE1 4.11Å; F99-Y340 HydrophobicContact CB-CD1 4.27Å; R100-Y340 CarbonylContact O-C 3.49Å; R100-Y340 WeakPolarHBondContact O-CA 3.3Å; S101-Y340 VanDerWaalsContact CB-CE1 3.44Å
341R95.9Very high92.8Very high46 Ų4634.5 Ų34.517%0.17419%0.192CC..EExtended strand (participates in β ladder)trans-104.5128.2-177.5-59.4-53.5-60.5173.33.3110.5F99 R100 T292 H336 E343F99-R341 CarbonylContact C-O 3.49Å; F99-R341 VanDerWaalsContact CA-O 3.25Å; F99-R341 WeakPolarHBondContact CA-O 3.48Å; R100-R341 PolarHBondContact N-O 2.52Å; R100-R341 PolarHBondContact O-N 2.9Å; T292-R341 PolarHBondContact OG1-NH2 3.41Å; H336-R341 PolarHBondContact CD2-NE 3.41Å; R341-E343 PolarHBondContact O-N 2.99Å
342L96.9Very high91.6Very high90 Ų9035.6 Ų35.647%0.47120%0.204SC..EExtended strand (participates in β ladder)trans-68.1119.5171.8-168.973000109.6F99 R297F99-L342 HydrophobicContact CD1-CD1 4.26Å; F99-L342 HydrophobicContact CE1-CB 4.35Å; F99-L342 HydrophobicContact CE1-CD1 3.76Å; F99-L342 HydrophobicContact CE2-CD1 4.26Å; F99-L342 HydrophobicContact CZ-CD1 3.76Å; R297-L342 PolarHBondContact NH2-O 2.73Å; R297-L342 VanDerWaalsContact NH2-O 3.15Å
343E98Very high90Very high8 Ų838.1 Ų38.14%0.03721%0.21CC..EExtended strand (participates in β ladder)trans-100.7-178.5172.9-63.3-57.7169.100110.2V98 R100 R297 T329 C330 R341V98-E343 HydrophobicContact CG1-CB 3.77Å; V98-E343 WeakPolarHBondContact CG1-O 3.41Å; V98-E343 HydrophobicContact CG2-CB 4.36Å; V98-E343 PolarHBondContact O-N 3.21Å; R100-E343 HydrophobicContact CB-CG 3.73Å; R100-E343 IonicContact CZ-OE1 3.98Å; R100-E343 IonicContact NE-OE1 2.95Å; R100-E343 PolarHBondContact NE-OE1 3.1Å; R100-E343 IonicContact NH2-OE1 2.88Å; R100-E343 PolarHBondContact NH2-OE1 3.44Å; R297-E343 IonicContact NE-OE2 3.11Å; R297-E343 PolarHBondContact NE-OE2 2.8Å; R297-E343 VanDerWaalsContact NE-OE2 3.11Å; T329-E343 WeakPolarHBondContact CA-OE2 3.42Å; T329-E343 HydrophobicContact CG2-CB 4.43Å; T329-E343 HydrophobicContact CG2-CG 4.18Å; C330-E343 PolarHBondContact N-OE2 2.66Å; R341-E343 PolarHBondContact O-N 2.99Å
344F98.4Very high88.5Confident38 Ų3838 Ų3817%0.16721%0.21CC..EExtended strand (participates in β ladder)trans-105.2140.3-173.8-175.9-108.2000111.4D287 I288 P289 Y328 W346D287-F344 VanDerWaalsContact O-CZ 3.29Å; D287-F344 WeakPolarHBondContact O-CZ 3.36Å; I288-F344 HydrophobicContact CB-CD1 4.47Å; I288-F344 HydrophobicContact CB-CE1 4.36Å; I288-F344 HydrophobicContact CG1-CD1 4.28Å; I288-F344 HydrophobicContact CG1-CE1 3.93Å; I288-F344 HydrophobicContact CG2-CD1 4.03Å; I288-F344 HydrophobicContact CG2-CE1 4.41Å; P289-F344 HydrophobicContact CG-CD2 3.85Å; P289-F344 HydrophobicContact CG-CE2 4.06Å; P289-F344 HydrophobicContact CG-CG 4.46Å; Y328-F344 AromaticContact CD2-CD1 3.79Å; Y328-F344 HydrophobicContact CD2-CD1 3.79Å; Y328-F344 HydrophobicContact CD2-CE1 4.37Å; Y328-F344 HydrophobicContact CG-CD1 4.23Å; Y328-F344 PolarHBondContact N-O 3.36Å; Y328-F344 PolarHBondContact O-N 3.33Å; F344-W346 HydrophobicContact CE1-CB 4.25Å; F344-W346 AromaticContact CE1-CE3 3.83Å; F344-W346 HydrophobicContact CE1-CE3 3.83Å; F344-W346 AromaticContact CZ-CE3 3.62Å; F344-W346 HydrophobicContact CZ-CE3 3.62Å; F344-W346 HydrophobicContact CZ-CZ3 4.1Å
345V98.4Very high86.8Confident12 Ų1240.4 Ų40.47%0.07322%0.221CC..EExtended strand (participates in β ladder)trans-129.1137.3-179.959.30000109.5L79 S93 F96 V98 V325 T326L79-V345 HydrophobicContact CD1-CG2 4.27Å; S93-V345 WeakPolarHBondContact CB-O 3.31Å; S93-V345 PolarHBondContact OG-O 3.4Å; F96-V345 HydrophobicContact CB-CB 4.44Å; F96-V345 HydrophobicContact CB-CG1 3.74Å; F96-V345 HydrophobicContact CB-CG2 3.89Å; F96-V345 HydrophobicContact CG-CG2 4.42Å; V98-V345 HydrophobicContact CG1-CB 4Å; V98-V345 HydrophobicContact CG1-CG1 4.47Å; V325-V345 HydrophobicContact CG1-CG2 3.38Å; T326-V345 WeakPolarHBondContact O-CA 3.48Å
346W98.4Very high85.3Confident29 Ų2942.3 Ų42.311%0.1124%0.235CC..EExtended strand (participates in β ladder)trans-130.8119.3179.3-172.6-83.9000111S93 W276 H281 P283 D287 V325 T326 Y328 F344S93-W346 WeakPolarHBondContact OG-CA 3.16Å; W276-W346 AromaticContact CH2-CD1 3.83Å; W276-W346 AromaticContact CZ3-CD1 3.89Å; H281-W346 AromaticContact CD2-CE2 3.75Å; H281-W346 AromaticContact CD2-CZ2 3.85Å; H281-W346 AromaticContact CD2-NE1 3.37Å; H281-W346 PolarHBondContact CD2-NE1 3.1Å; H281-W346 AromaticContact CE1-CE2 3.77Å; H281-W346 AromaticContact CE1-CH2 3.84Å; H281-W346 AromaticContact CE1-CZ2 3.26Å; H281-W346 WeakPolarHBondContact CE1-CZ2 3.44Å; H281-W346 AromaticContact CG-CZ2 3.94Å; H281-W346 AromaticContact ND1-CZ2 3.59Å; H281-W346 AromaticContact NE2-CE2 3.42Å; H281-W346 AromaticContact NE2-CZ2 3.44Å; H281-W346 WeakPolarHBondContact NE2-CZ2 3.22Å; H281-W346 AromaticContact NE2-NE1 3.47Å; H281-W346 PolarHBondContact NE2-NE1 2.84Å; H281-W346 PolarHBondContact O-NE1 3.08Å; P283-W346 HydrophobicContact CB-CD2 3.79Å; P283-W346 HydrophobicContact CB-CE3 3.95Å; P283-W346 HydrophobicContact CB-CG 4.35Å; P283-W346 HydrophobicContact CB-CH2 3.99Å; P283-W346 HydrophobicContact CB-CZ2 3.86Å; P283-W346 HydrophobicContact CB-CZ3 4.05Å; P283-W346 HydrophobicContact CG-CD2 3.97Å; P283-W346 HydrophobicContact CG-CG 4Å; D287-W346 HydrophobicContact CB-CH2 4.02Å; D287-W346 HydrophobicContact CB-CZ3 3.92Å; V325-W346 CarbonylContact C-O 3.31Å; V325-W346 WeakPolarHBondContact CA-O 3.41Å; T326-W346 PolarHBondContact N-O 3.01Å; T326-W346 PolarHBondContact O-N 2.92Å; T326-W346 WeakPolarHBondContact OG1-CB 3.25Å; T326-W346 PolarHBondContact OG1-O 3.11Å; Y328-W346 HydrophobicContact CE2-CB 4.14Å; F344-W346 HydrophobicContact CE1-CB 4.25Å; F344-W346 AromaticContact CE1-CE3 3.83Å; F344-W346 HydrophobicContact CE1-CE3 3.83Å; F344-W346 AromaticContact CZ-CE3 3.62Å; F344-W346 HydrophobicContact CZ-CE3 3.62Å; F344-W346 HydrophobicContact CZ-CZ3 4.1Å
347K97.2Very high83.9Confident1 Ų142.2 Ų42.20%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-100.7130.8178.2170.1171178-82.90110.5S89 S93 F96 H281 D321 W322 V325 D349S89-K347 PolarHBondContact O-NZ 3.35Å; S93-K347 PolarHBondContact OG-N 3.28Å; F96-K347 HydrophobicContact CD2-CD 4.31Å; F96-K347 HydrophobicContact CE2-CD 3.69Å; H281-K347 PolarHBondContact CD2-O 3.45Å; H281-K347 VanDerWaalsContact CD2-O 3.25Å; H281-K347 PolarHBondContact NE2-O 3.48Å; D321-K347 WeakPolarHBondContact O-CE 3.18Å; W322-K347 HydrophobicContact CB-CD 4.17Å; W322-K347 HydrophobicContact CB-CG 4.21Å; V325-K347 HydrophobicContact CG2-CB 4.36Å; V325-K347 HydrophobicContact CG2-CG 4.42Å; K347-D349 WeakPolarHBondContact CE-OD1 3.28Å; K347-D349 IonicContact NZ-OD1 3.73Å; K347-D349 PolarHBondContact NZ-OD1 3.43Å; K347-D349 IonicContact NZ-OD2 3.72Å; K347-D349 PolarHBondContact NZ-OD2 3.16Å
348Q95.8Very high82.2Confident0 Ų044 Ų440%023%0.233CC..EExtended strand (participates in β ladder)trans-117.9136.4167.8-176.2-172.661.300109N91 W276 V277 S278 G280 G323 T324N91-Q348 WeakPolarHBondContact OD1-CA 3.48Å; W276-Q348 HydrophobicContact CE3-CB 4.25Å; W276-Q348 HydrophobicContact CZ3-CB 4.22Å; V277-Q348 HydrophobicContact CG2-CG 4.05Å; S278-Q348 PolarHBondContact O-NE2 3.3Å; G280-Q348 PolarHBondContact O-NE2 3.28Å; G323-Q348 CarbonylContact C-O 3.4Å; G323-Q348 VanDerWaalsContact CA-O 3.23Å; G323-Q348 WeakPolarHBondContact CA-O 3.38Å; G323-Q348 PolarHBondContact N-O 3.17Å; T324-Q348 HydrophobicContact CG2-CB 3.88Å; T324-Q348 PolarHBondContact N-O 2.82Å; T324-Q348 PolarHBondContact O-N 3Å
349D93.5Very high80.2Confident14 Ų1451.7 Ų51.78%0.07526%0.258CS..PPolyproline II helixtrans-97.5160.7172.4-66.1-58.9000111.6H90 N91 W322 K347H90-D349 VanDerWaalsContact CA-OD2 3.25Å; H90-D349 WeakPolarHBondContact CA-OD2 3.33Å; N91-D349 PolarHBondContact N-OD2 3.15Å; N91-D349 PolarHBondContact OD1-N 3.05Å; W322-D349 WeakPolarHBondContact CA-OD1 3.22Å; K347-D349 WeakPolarHBondContact CE-OD1 3.28Å; K347-D349 IonicContact NZ-OD1 3.73Å; K347-D349 PolarHBondContact NZ-OD1 3.43Å; K347-D349 IonicContact NZ-OD2 3.72Å; K347-D349 PolarHBondContact NZ-OD2 3.16Å
350F88Confident77.4Confident4 Ų453.2 Ų53.22%0.01827%0.269CS..PPolyproline II helixtrans-62.7144.1166.3-63-69.3000110.2F251 V277 P305 Q354 L355 H358F251-F350 AromaticContact CE2-CD1 3.82Å; F251-F350 HydrophobicContact CE2-CD1 3.82Å; F251-F350 AromaticContact CE2-CE1 3.7Å; F251-F350 HydrophobicContact CE2-CE1 3.7Å; F251-F350 HydrophobicContact CZ-CD1 4.45Å; F251-F350 HydrophobicContact CZ-CE1 4.44Å; V277-F350 HydrophobicContact CB-CD1 3.86Å; V277-F350 HydrophobicContact CB-CE1 3.82Å; V277-F350 HydrophobicContact CG1-CD1 4.15Å; V277-F350 HydrophobicContact CG1-CE1 3.58Å; V277-F350 HydrophobicContact CG1-CZ 4.31Å; V277-F350 HydrophobicContact CG2-CD1 4.03Å; V277-F350 HydrophobicContact CG2-CE1 4.28Å; P305-F350 HydrophobicContact CB-CE2 4.1Å; P305-F350 HydrophobicContact CB-CZ 3.93Å; P305-F350 HydrophobicContact CG-CZ 3.88Å; F350-Q354 HydrophobicContact CB-CB 4.04Å; F350-Q354 HydrophobicContact CD1-CB 4.46Å; F350-L355 HydrophobicContact CB-CD2 4.18Å; F350-L355 HydrophobicContact CB-CG 4.09Å; F350-H358 AromaticContact CE2-CD2 3.66Å; F350-H358 AromaticContact CE2-NE2 3.88Å; F350-H358 AromaticContact CZ-CD2 3.57Å; F350-H358 AromaticContact CZ-NE2 3.93Å
351S79.9Confident74.5Confident20 Ų2059.9 Ų59.914%0.1431%0.312CS..PPolyproline II helixtrans-67.6161.9172.371.10000111.2D247 D353 Q354 L355D247-S351 WeakPolarHBondContact OD2-CB 3.42Å; D247-S351 PolarHBondContact OD2-OG 2.98Å; S351-D353 PolarHBondContact O-N 3.28Å; S351-Q354 PolarHBondContact O-N 2.82Å; S351-Q354 WeakPolarHBondContact OG-CG 3.49Å; S351-Q354 PolarHBondContact OG-NE2 2.97Å; S351-L355 PolarHBondContact O-N 2.97Å
352A68.9Low73.5Confident74 Ų7460.6 Ų60.661%0.61232%0.319SS*.Hα-helixtrans-54.7-37-179.800000112.7T356A352-T356 PolarHBondContact O-OG1 3.03Å
353D62.2Low72.2Confident104 Ų10459 Ų5956%0.55631%0.311SS*.Hα-helixtrans-71.9-33.8180-59.5-25.8000111.7S351S351-D353 PolarHBondContact O-N 3.28Å
354Q63Low70.8Confident0 Ų061.8 Ų61.80%033%0.326CS..Hα-helixtrans-77.1-32.3179.7-66.1170.45.100113.3D247 F251 V277 F350 S351 T356 Q357 H358D247-Q354 VanDerWaalsContact CG-NE2 3.3Å; D247-Q354 PolarHBondContact OD1-NE2 3.21Å; D247-Q354 PolarHBondContact OD2-NE2 3.1Å; F251-Q354 HydrophobicContact CB-CG 4.31Å; F251-Q354 HydrophobicContact CD1-CB 4.41Å; F251-Q354 HydrophobicContact CD1-CG 3.77Å; F251-Q354 HydrophobicContact CD2-CG 4.22Å; F251-Q354 HydrophobicContact CE1-CB 4.12Å; F251-Q354 HydrophobicContact CE1-CG 3.99Å; F251-Q354 HydrophobicContact CE2-CG 4.48Å; F251-Q354 HydrophobicContact CG-CG 3.87Å; F251-Q354 HydrophobicContact CZ-CB 4.19Å; F251-Q354 HydrophobicContact CZ-CG 4.36Å; V277-Q354 PolarHBondContact O-NE2 3.39Å; V277-Q354 PolarHBondContact O-OE1 3.05Å; F350-Q354 HydrophobicContact CB-CB 4.04Å; F350-Q354 HydrophobicContact CD1-CB 4.46Å; S351-Q354 PolarHBondContact O-N 2.82Å; S351-Q354 WeakPolarHBondContact OG-CG 3.49Å; S351-Q354 PolarHBondContact OG-NE2 2.97Å; Q354-T356 PolarHBondContact O-N 3.44Å; Q354-Q357 PolarHBondContact O-N 3.44Å; Q354-H358 PolarHBondContact O-N 3.15Å
355L59.4Low69.2Low65 Ų6563.2 Ų63.234%0.3434%0.336SS..Hα-helixtrans-57.4-32.2175.7-77.4165.8000112.2F350 S351 Q357 R359F350-L355 HydrophobicContact CB-CD2 4.18Å; F350-L355 HydrophobicContact CB-CG 4.09Å; S351-L355 PolarHBondContact O-N 2.97Å; L355-Q357 VanDerWaalsContact C-N 3.35Å; L355-R359 VanDerWaalsContact O-CG 3.29Å; L355-R359 WeakPolarHBondContact O-CG 3.42Å; L355-R359 PolarHBondContact O-N 3.4Å
356T52.3Low67.4Low93 Ų9366.4 Ų66.457%0.57135%0.352SS*.Hα-helixtrans-71.2-31.1176.8-37.70000112.1A352 Q354 N360A352-T356 PolarHBondContact O-OG1 3.03Å; Q354-T356 PolarHBondContact O-N 3.44Å; T356-N360 PolarHBondContact O-ND2 3.2Å
357Q52.6Low65.3Low77 Ų7768.9 Ų68.936%0.3637%0.368SS..Hα-helixtrans-84.1-33.6178-63.1-177.713.500112.6F251 Q354 L355F251-Q357 HydrophobicContact CE1-CB 4.44Å; Q354-Q357 PolarHBondContact O-N 3.44Å; L355-Q357 VanDerWaalsContact C-N 3.35Å
358H51.5Low63Low76 Ų7673.8 Ų73.835%0.35239%0.394SS..Hα-helixtrans-71.9-32.4179.1-175.1-75.6000112.9F350 Q354 N360 T361F350-H358 AromaticContact CE2-CD2 3.66Å; F350-H358 AromaticContact CE2-NE2 3.88Å; F350-H358 AromaticContact CZ-CD2 3.57Å; F350-H358 AromaticContact CZ-NE2 3.93Å; Q354-H358 PolarHBondContact O-N 3.15Å; H358-N360 PolarHBondContact O-N 3.47Å; H358-T361 PolarHBondContact O-OG1 3.01Å
359R45.2Very low60.5Low211 Ų21179.5 Ų79.580%0.79643%0.425SS*.THydrogen-bonded Turntrans-74.5-11.1-179.2-68.9172.9101.4165.58.6114.2L355L355-R359 VanDerWaalsContact O-CG 3.29Å; L355-R359 WeakPolarHBondContact O-CG 3.42Å; L355-R359 PolarHBondContact O-N 3.4Å
360N33.3Very low57.7Low138 Ų13884.9 Ų84.974%0.73845%0.454SS*.THydrogen-bonded Turntrans-105.93.3-176.3-70.9-19.4000113.6T356 H358T356-N360 PolarHBondContact O-ND2 3.2Å; H358-N360 PolarHBondContact O-N 3.47Å
361T36.6Very low55Low157 Ų15792.3 Ų92.396%0.96349%0.493SS*.  trans-121.70174.850.20000108.6H358H358-T361 PolarHBondContact O-OG1 3.01Å

Retrieved 361 of 361 residues in 641.2 ms (Link to these results)

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