A0A096NNC3_PAPAN Loading...

Arrestin C-terminal-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A096NNC3, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 418 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
1M40Very low33.4Very low252 Ų252122.4 Ų122.4100%1.24187%0.867SS**  084.70-69.2172.6172.300105.7
2G32.9Very low33.8Very low81 Ų81117.8 Ų117.884%0.83585%0.853SS**  94.97061.900000106.9
3G30.6Very low34.6Very low79 Ų79114.8 Ų114.881%0.81484%0.837SS**  trans-74.9134.9-175.300000111.9A5G3-A5 PolarHBondContact O-N 3.23Å
4E32.2Very low36.6Very low199 Ų199116.6 Ų116.693%0.9382%0.824SS**  trans-67.5112.1174.3-78.7175.9109.200110.5G6E4-G6 PolarHBondContact O-N 3.24Å
5A31.5Very low38.8Very low99 Ų99109.1 Ų109.182%0.81877%0.772SS**  trans-77.9101.6163.900000108.6G3 C7G3-A5 PolarHBondContact O-N 3.23Å; A5-C7 PolarHBondContact O-N 3.14Å
6G29.6Very low41.5Very low75 Ų75113.1 Ų113.177%0.77377%0.765SS**  trans-69.6115.6166.400000110.2E4 A8E4-G6 PolarHBondContact O-N 3.24Å; G6-A8 PolarHBondContact O-N 3.27Å; G6-A8 VanDerWaalsContact O-N 3.11Å
7C28.6Very low44.2Very low129 Ų129107.6 Ų107.687%0.87273%0.727SS**  trans-41.3108.8175.5-90.10000113.7A5 A9A5-C7 PolarHBondContact O-N 3.14Å; C7-A9 VanDerWaalsContact C-N 3.34Å; C7-A9 PolarHBondContact O-N 3.47Å
8A31.1Very low46.7Very low102 Ų102108.6 Ų108.684%0.84372%0.716SS**  trans-69.395.7152.800000107.6G6 A10G6-A8 PolarHBondContact O-N 3.27Å; G6-A8 VanDerWaalsContact O-N 3.11Å; A8-A10 PolarHBondContact O-N 3.17Å
9A34.3Very low49.1Very low88 Ų88105.7 Ų105.773%0.72770%0.698SS**  trans-60.2128.4174.500000109.5C7 V11C7-A9 VanDerWaalsContact C-N 3.34Å; C7-A9 PolarHBondContact O-N 3.47Å; A9-V11 PolarHBondContact O-N 2.95Å; A9-V11 VanDerWaalsContact O-N 3.1Å
10A36.3Very low51.4Low97 Ų97102.2 Ų102.280%0.80267%0.673SS**  trans-57.8108-174.600000112.4A8 G12A8-A10 PolarHBondContact O-N 3.17Å; A10-G12 PolarHBondContact O-N 3.2Å
11V40.4Very low53.5Low145 Ų14598.3 Ų98.388%0.87965%0.651SS**  trans-78.770.2160.6-173.80000107.5A9A9-V11 PolarHBondContact O-N 2.95Å; A9-V11 VanDerWaalsContact O-N 3.1Å
12G38.6Very low56.1Low68 Ų6886.4 Ų86.470%0.70159%0.593SS**  trans-136.417.5-171.400000114.3A10A10-G12 PolarHBondContact O-N 3.2Å
13A43.9Very low59.1Low78 Ų7884.8 Ų84.865%0.64557%0.567SS**  trans-104.8102.8171.200000108.8G15A13-G15 PolarHBondContact O-N 2.87Å
14E63.1Low62.1Low140 Ų14082.3 Ų82.365%0.65453%0.533SS*.  trans-69.784168-69.4-173.3150.600108.3R16E14-R16 PolarHBondContact O-N 2.94Å
15G68.3Low64.9Low4 Ų479.4 Ų79.44%0.04152%0.52CS..PPolyproline II helixtrans-52.2132.2-176.200000112.8A13 P49 R148A13-G15 PolarHBondContact O-N 2.87Å; G15-P49 VanDerWaalsContact CA-O 3.27Å; G15-P49 WeakPolarHBondContact CA-O 3.39Å; G15-R148 PolarHBondContact O-NH1 3.16Å; G15-R148 VanDerWaalsContact O-NH1 3.11Å
16R82.2Confident67.4Low174 Ų17478.3 Ų78.366%0.65750%0.5SS*.PPolyproline II helixtrans-84125.4-178.3-179.7178.9-176.9-1791.5112.1E14 S47E14-R16 PolarHBondContact O-N 2.94Å; R16-S47 WeakPolarHBondContact CB-OG 3.36Å; R16-S47 PolarHBondContact O-N 3.23Å; R16-S47 VanDerWaalsContact O-N 3.07Å; R16-S47 PolarHBondContact O-OG 3.15Å
17V87.4Confident69.6Low20 Ų2081.3 Ų81.312%0.12149%0.494CS..EExtended strand (participates in β ladder)trans-85.8125.4168177.90000108.3L44 V50 L146V17-L44 HydrophobicContact CG1-CD1 3.52Å; V17-L44 HydrophobicContact CG2-CD1 4.31Å; V17-V50 HydrophobicContact CG2-CG1 4.02Å; V17-V50 HydrophobicContact CG2-CG2 4.1Å; V17-L146 HydrophobicContact CG1-CD2 4.49Å; V17-L146 HydrophobicContact CG2-CD2 3.84Å
18K89.3Confident71.8Confident124 Ų12486.7 Ų86.754%0.53950%0.496SS..EExtended strand (participates in β ladder)trans-82.5-45.5176.3-68.7-178.2-175.5177.40111.8E45 S47K18-E45 HydrophobicContact CB-CB 4.24Å; K18-E45 HydrophobicContact CB-CG 4.31Å; K18-E45 WeakPolarHBondContact CB-O 3.17Å; K18-E45 HydrophobicContact CD-CG 3.99Å; K18-E45 WeakPolarHBondContact CD-OE1 3.24Å; K18-E45 PolarHBondContact N-O 2.89Å; K18-E45 IonicContact NZ-OE1 3.74Å; K18-E45 PolarHBondContact NZ-OE1 3.47Å; K18-S47 VanDerWaalsContact CE-CB 3.45Å
19S92.8Very high74Confident54 Ų5484.9 Ų84.938%0.37847%0.469SS..EExtended strand (participates in β ladder)trans-151.5147.1-177.367.40000111.7E45S19-E45 PolarHBondContact N-O 3.39Å; S19-E45 PolarHBondContact O-N 3.14Å; S19-E45 VanDerWaalsContact OG-CB 3.26Å; S19-E45 WeakPolarHBondContact OG-CB 3.43Å
20L94.9Very high76.2Confident35 Ų3583.6 Ų83.618%0.18347%0.465CS..EExtended strand (participates in β ladder)trans-131119.4170.617869.6000107.3V42 L43 L44 L146 V156L20-V42 HydrophobicContact CD1-CG1 3.8Å; L20-L43 CarbonylContact C-O 3.55Å; L20-L43 WeakPolarHBondContact CA-O 3.39Å; L20-L44 HydrophobicContact CD1-CB 4.49Å; L20-L44 HydrophobicContact CD1-CD1 4.09Å; L20-L146 HydrophobicContact CD2-CB 4.19Å; L20-V156 HydrophobicContact CD2-CB 4.35Å; L20-V156 HydrophobicContact CD2-CG1 3.99Å; L20-V156 HydrophobicContact CG-CB 4.34Å; L20-V156 HydrophobicContact CG-CG1 3.79Å
21G95.2Very high78.8Confident22 Ų2281.7 Ų81.723%0.22744%0.444CS..EExtended strand (participates in β ladder)trans-124.6152.9-177.200000111.8V42 L43G21-V42 CarbonylContact O-C 3.6Å; G21-V42 WeakPolarHBondContact O-CA 3.26Å; G21-L43 PolarHBondContact N-O 3.03Å; G21-L43 PolarHBondContact O-N 2.73Å
22L95.8Very high81.3Confident1 Ų175.3 Ų75.31%0.00541%0.405CS..EExtended strand (participates in β ladder)trans-130.4125171.1-173.6152.7000108.3F24 V42 L57 F118 V142 A144 V156 R158L22-F24 HydrophobicContact CD2-CD1 4.31Å; L22-F24 HydrophobicContact CD2-CE1 3.83Å; L22-F24 HydrophobicContact CD2-CE2 4.48Å; L22-F24 HydrophobicContact CD2-CZ 3.93Å; L22-V42 HydrophobicContact CD1-CG2 4.47Å; L22-L57 HydrophobicContact CD1-CD1 3.71Å; L22-F118 HydrophobicContact CD2-CZ 4.35Å; L22-F118 HydrophobicContact CG-CE1 4.24Å; L22-F118 HydrophobicContact CG-CZ 4.46Å; L22-V142 HydrophobicContact CD1-CB 4.35Å; L22-V142 HydrophobicContact CD1-CG1 3.87Å; L22-A144 HydrophobicContact CD1-CB 3.98Å; L22-V156 HydrophobicContact CB-CG1 3.85Å; L22-R158 HydrophobicContact CB-CG 4.2Å; L22-R158 HydrophobicContact CD2-CB 3.76Å; L22-R158 HydrophobicContact CD2-CG 3.5Å; L22-R158 HydrophobicContact CG-CG 4.42Å; L22-R158 PolarHBondContact O-NE 3.49Å
23V94.4Very high84Confident48 Ų4872.6 Ų72.629%0.29138%0.375SS..EExtended strand (participates in β ladder)trans-129.3130.9-174.5-176.90000108.3G40 H41 L43V23-G40 CarbonylContact O-C 3.53Å; V23-G40 VanDerWaalsContact O-CA 3.24Å; V23-G40 WeakPolarHBondContact O-CA 3.14Å; V23-H41 PolarHBondContact N-O 2.82Å; V23-H41 PolarHBondContact O-N 3.4Å; V23-L43 HydrophobicContact CG2-CD1 3.75Å; V23-L43 HydrophobicContact CG2-CG 4.38Å
24F94.6Very high86.3Confident26 Ų2670.6 Ų70.611%0.11436%0.357CS..EExtended strand (participates in β ladder)trans-84.4145.6171.9-63.2-55.5000109.5L22 D26 V38 F118 V142 R158 L160L22-F24 HydrophobicContact CD2-CD1 4.31Å; L22-F24 HydrophobicContact CD2-CE1 3.83Å; L22-F24 HydrophobicContact CD2-CE2 4.48Å; L22-F24 HydrophobicContact CD2-CZ 3.93Å; F24-D26 VanDerWaalsContact C-N 3.32Å; F24-D26 PolarHBondContact O-N 3.07Å; F24-V38 HydrophobicContact CD1-CG1 3.99Å; F24-V38 HydrophobicContact CE1-CG1 3.9Å; F24-F118 HydrophobicContact CD1-CE2 4.4Å; F24-F118 AromaticContact CD1-CZ 3.99Å; F24-F118 HydrophobicContact CD1-CZ 3.99Å; F24-F118 HydrophobicContact CE1-CE2 4.44Å; F24-F118 HydrophobicContact CE1-CZ 4.11Å; F24-V142 HydrophobicContact CE1-CB 4.14Å; F24-V142 HydrophobicContact CE1-CG2 3.84Å; F24-V142 HydrophobicContact CZ-CB 4.08Å; F24-V142 HydrophobicContact CZ-CG2 3.85Å; F24-R158 HydrophobicContact CE2-CB 3.77Å; F24-R158 HydrophobicContact CZ-CB 3.9Å; F24-L160 HydrophobicContact CZ-CD1 4.27Å
25E91.1Very high87.8Confident139 Ų13965 Ų6565%0.6534%0.336SS*.SBendtrans-65.4-38.7179.9-172.8167.7-141.400111.5A39E25-A39 HydrophobicContact CB-CB 4.33Å; E25-A39 PolarHBondContact N-O 3.34Å; E25-A39 WeakPolarHBondContact OE2-CB 3.49Å
26D83.4Confident89Confident75 Ų7567.5 Ų67.540%0.40135%0.347SS..  trans-109.480.2177.3-162.6-16.6000111.1F24 R28 K29F24-D26 VanDerWaalsContact C-N 3.32Å; F24-D26 PolarHBondContact O-N 3.07Å; D26-R28 PolarHBondContact O-N 3.11Å; D26-R28 PolarHBondContact OD1-N 3.35Å; D26-K29 HydrophobicContact CB-CB 3.88Å; D26-K29 WeakPolarHBondContact OD1-CB 3.37Å; D26-K29 PolarHBondContact OD1-N 3.36Å; D26-K29 VanDerWaalsContact OD2-CB 3.29Å; D26-K29 WeakPolarHBondContact OD2-CB 3.27Å
27E75.8Confident89.6Confident139 Ų13961.8 Ų61.865%0.6533%0.331SS*.SBendtrans-68.7-16.1175.1-65.1-160.8147.200112.9
28R75.8Confident89.9Confident242 Ų24260.8 Ų60.891%0.91333%0.325SS*.SBendtrans-87.3-25-179.2-64.5-175.6-178.3179.61.9112.3D26 G30D26-R28 PolarHBondContact O-N 3.11Å; D26-R28 PolarHBondContact OD1-N 3.35Å; R28-G30 PolarHBondContact O-N 3.4Å
29K77.6Confident90.2Very high64 Ų6455.6 Ų55.628%0.27831%0.306SS..  trans-67.282.6169.8-175.5172.6-170.81790109.6D26 C31 Y32 E36D26-K29 HydrophobicContact CB-CB 3.88Å; D26-K29 WeakPolarHBondContact OD1-CB 3.37Å; D26-K29 PolarHBondContact OD1-N 3.36Å; D26-K29 VanDerWaalsContact OD2-CB 3.29Å; D26-K29 WeakPolarHBondContact OD2-CB 3.27Å; K29-C31 WeakPolarHBondContact CG-O 3.23Å; K29-C31 PolarHBondContact O-N 3.27Å; K29-Y32 HydrophobicContact CD-CD1 4.42Å; K29-Y32 HydrophobicContact CD-CE1 4.06Å; K29-E36 WeakPolarHBondContact CE-OE1 3.27Å; K29-E36 WeakPolarHBondContact CE-OE2 3.38Å; K29-E36 IonicContact NZ-OE1 2.87Å; K29-E36 PolarHBondContact NZ-OE1 3.15Å; K29-E36 IonicContact NZ-OE2 3.75Å; K29-E36 PolarHBondContact NZ-OE2 2.81Å
30G79.9Confident90.3Very high61 Ų6153.1 Ų53.163%0.62929%0.289SS*.  trans-62.4-12.5-173.300000115.4R28 Q161R28-G30 PolarHBondContact O-N 3.4Å; G30-Q161 WeakPolarHBondContact O-CB 3.45Å
31C90.7Very high90.4Very high56 Ų5654.3 Ų54.338%0.37829%0.293SS..  trans-150.2155.817562.30000112.6K29 Q161 V163K29-C31 WeakPolarHBondContact CG-O 3.23Å; K29-C31 PolarHBondContact O-N 3.27Å; C31-Q161 CarbonylContact C-O 3.56Å; C31-Q161 VanDerWaalsContact CA-O 3.31Å; C31-Q161 WeakPolarHBondContact CA-O 3.41Å; C31-Q161 HydrophobicContact CB-CB 4.44Å; C31-V163 HydrophobicContact CB-CB 4.5Å; C31-V163 HydrophobicContact CB-CG2 3.78Å
32Y93.5Very high90.5Very high11 Ų1153.3 Ų53.34%0.04328%0.282CS..BIsolated β-bridgetrans-118.8154.4177.2-66.2-99.3000111.2K29 E36 V38 L160 Q161 V162 V163K29-Y32 HydrophobicContact CD-CD1 4.42Å; K29-Y32 HydrophobicContact CD-CE1 4.06Å; Y32-E36 WeakPolarHBondContact CA-OE2 3.41Å; Y32-V38 HydrophobicContact CD1-CG2 3.77Å; Y32-V38 HydrophobicContact CE1-CB 4.41Å; Y32-V38 HydrophobicContact CE1-CG1 4.47Å; Y32-V38 HydrophobicContact CE1-CG2 3.87Å; Y32-V38 HydrophobicContact CG-CG2 4.4Å; Y32-L160 HydrophobicContact CD1-CD1 4.44Å; Y32-L160 HydrophobicContact CD2-CD1 3.27Å; Y32-L160 HydrophobicContact CD2-CG 3.91Å; Y32-L160 HydrophobicContact CE1-CD1 4.48Å; Y32-L160 HydrophobicContact CE2-CD1 3.36Å; Y32-L160 HydrophobicContact CE2-CG 4.45Å; Y32-L160 HydrophobicContact CG-CD1 3.87Å; Y32-L160 HydrophobicContact CG-CG 4.33Å; Y32-Q161 PolarHBondContact N-O 3.49Å; Y32-V162 CarbonylContact O-C 3.52Å; Y32-V162 VanDerWaalsContact O-CA 3.23Å; Y32-V162 WeakPolarHBondContact O-CA 3.43Å; Y32-V163 PolarHBondContact O-N 3.44Å
33S93.6Very high90.5Very high11 Ų1156 Ų568%0.07730%0.297CS..  trans-125.8165.5177.7-59.90000111.3E36 L122 V163 H165S33-E36 PolarHBondContact N-OE2 2.86Å; S33-E36 VanDerWaalsContact O-CB 3.3Å; S33-E36 WeakPolarHBondContact O-CB 3.44Å; S33-E36 WeakPolarHBondContact O-CG 3.38Å; S33-E36 PolarHBondContact O-N 2.89Å; S33-E36 VanDerWaalsContact O-N 3.16Å; S33-L122 WeakPolarHBondContact O-CD1 3.46Å; S33-V163 PolarHBondContact OG-O 3Å; S33-H165 PolarHBondContact OG-CD2 2.85Å; S33-H165 PolarHBondContact OG-NE2 3.49Å
34S93.6Very high90.6Very high37 Ų3754 Ų5426%0.25928%0.284SS..THydrogen-bonded Turntrans-51.7141.1176.1-450000111.6E36 E125 L127S34-E36 PolarHBondContact O-N 2.97Å; S34-E125 WeakPolarHBondContact CB-O 3.44Å; S34-E125 PolarHBondContact OG-O 2.85Å; S34-L127 PolarHBondContact OG-N 2.81Å
35G92.9Very high90.6Very high22 Ų2255.2 Ų55.223%0.22729%0.29CS..THydrogen-bonded Turntrans76-8.8-178.600000115.6Q121 L122 P123G35-Q121 VanDerWaalsContact O-CG 3.3Å; G35-Q121 WeakPolarHBondContact O-CG 3.33Å; G35-Q121 PolarHBondContact O-NE2 3.35Å; G35-L122 WeakPolarHBondContact CA-O 3.33Å; G35-L122 PolarHBondContact N-O 3.07Å; G35-P123 PolarHBondContact N-O 3Å
36E93.8Very high90.7Very high57 Ų5748.7 Ų48.727%0.26626%0.26SS..PPolyproline II helixtrans-74.1153.8177.5-65-162.8127.100112.7K29 Y32 S33 S34 L122K29-E36 WeakPolarHBondContact CE-OE1 3.27Å; K29-E36 WeakPolarHBondContact CE-OE2 3.38Å; K29-E36 IonicContact NZ-OE1 2.87Å; K29-E36 PolarHBondContact NZ-OE1 3.15Å; K29-E36 IonicContact NZ-OE2 3.75Å; K29-E36 PolarHBondContact NZ-OE2 2.81Å; Y32-E36 WeakPolarHBondContact CA-OE2 3.41Å; S33-E36 PolarHBondContact N-OE2 2.86Å; S33-E36 VanDerWaalsContact O-CB 3.3Å; S33-E36 WeakPolarHBondContact O-CB 3.44Å; S33-E36 WeakPolarHBondContact O-CG 3.38Å; S33-E36 PolarHBondContact O-N 2.89Å; S33-E36 VanDerWaalsContact O-N 3.16Å; S34-E36 PolarHBondContact O-N 2.97Å; E36-L122 WeakPolarHBondContact O-CB 3.38Å; E36-L122 PolarHBondContact O-N 2.95Å
37T94.4Very high91Very high53 Ų5347.1 Ų47.133%0.32526%0.255SS..EExtended strand (participates in β ladder)trans-90.9130.3175.8-61.30000110.6R119 F120T37-R119 HydrophobicContact CG2-CG 3.34Å; T37-F120 WeakPolarHBondContact CA-O 3.31Å
38V95Very high91.8Very high0 Ų045 Ų450%025%0.245CC..EExtended strand (participates in β ladder)trans-101.2122.1169.9-175.60000107.7F24 Y32 F118 R119 F120 L122 L160F24-V38 HydrophobicContact CD1-CG1 3.99Å; F24-V38 HydrophobicContact CE1-CG1 3.9Å; Y32-V38 HydrophobicContact CD1-CG2 3.77Å; Y32-V38 HydrophobicContact CE1-CB 4.41Å; Y32-V38 HydrophobicContact CE1-CG1 4.47Å; Y32-V38 HydrophobicContact CE1-CG2 3.87Å; Y32-V38 HydrophobicContact CG-CG2 4.4Å; V38-F118 HydrophobicContact CG1-CE2 4.4Å; V38-R119 WeakPolarHBondContact O-CA 3.26Å; V38-F120 HydrophobicContact CB-CD1 4.46Å; V38-F120 HydrophobicContact CB-CD2 4.42Å; V38-F120 HydrophobicContact CB-CE1 3.94Å; V38-F120 HydrophobicContact CB-CE2 3.89Å; V38-F120 HydrophobicContact CB-CZ 3.62Å; V38-F120 HydrophobicContact CG1-CE1 3.98Å; V38-F120 HydrophobicContact CG1-CZ 3.78Å; V38-F120 HydrophobicContact CG2-CE2 4.01Å; V38-F120 HydrophobicContact CG2-CZ 4.06Å; V38-F120 PolarHBondContact N-O 3.14Å; V38-F120 PolarHBondContact O-N 3.1Å; V38-L122 HydrophobicContact CG2-CD1 4.18Å; V38-L122 HydrophobicContact CG2-CD2 4.23Å; V38-L122 HydrophobicContact CG2-CG 3.98Å; V38-L160 HydrophobicContact CG1-CD1 4.21Å; V38-L160 HydrophobicContact CG2-CD1 4.18Å; V38-L160 HydrophobicContact CG2-CD2 4.05Å
39A95.5Very high92.5Very high15 Ų1536 Ų3612%0.12422%0.218CC..EExtended strand (participates in β ladder)trans-129.7155.2-18000000110.8E25 F118 R119E25-A39 HydrophobicContact CB-CB 4.33Å; E25-A39 PolarHBondContact N-O 3.34Å; E25-A39 WeakPolarHBondContact OE2-CB 3.49Å; A39-F118 WeakPolarHBondContact CA-O 3.29Å; A39-R119 HydrophobicContact CB-CB 4.5Å; A39-R119 HydrophobicContact CB-CG 4.13Å
40G95.7Very high93.1Very high2 Ų233 Ų332%0.02121%0.205CC..EExtended strand (participates in β ladder)trans171.5-165.4-179.900000113.1V23 P117 F118V23-G40 CarbonylContact O-C 3.53Å; V23-G40 VanDerWaalsContact O-CA 3.24Å; V23-G40 WeakPolarHBondContact O-CA 3.14Å; G40-P117 WeakPolarHBondContact O-CA 3.33Å; G40-F118 VanDerWaalsContact C-CD1 3.47Å; G40-F118 PolarHBondContact N-O 2.87Å; G40-F118 WeakPolarHBondContact O-CD1 3.38Å; G40-F118 PolarHBondContact O-N 2.89Å
41H96.1Very high93.6Very high60 Ų6031.4 Ų31.428%0.27819%0.186SC..EExtended strand (participates in β ladder)trans-133.4139.4-175.7-58.484.5000110.8V23 L43 F118V23-H41 PolarHBondContact N-O 2.82Å; V23-H41 PolarHBondContact O-N 3.4Å; H41-L43 HydrophobicContact CB-CD2 4.15Å; H41-F118 VanDerWaalsContact N-CE1 3.32Å
42V97Very high93.6Very high0 Ų028.8 Ų28.80%017%0.168CC..EExtended strand (participates in β ladder)trans-96122.3163.6-179.60000108L20 G21 L22 L55 L57 L97 F116 F118 A144L20-V42 HydrophobicContact CD1-CG1 3.8Å; G21-V42 CarbonylContact O-C 3.6Å; G21-V42 WeakPolarHBondContact O-CA 3.26Å; L22-V42 HydrophobicContact CD1-CG2 4.47Å; V42-L55 HydrophobicContact CG1-CD1 4.3Å; V42-L55 HydrophobicContact CG1-CD2 4.25Å; V42-L57 HydrophobicContact CG2-CD1 3.96Å; V42-L97 HydrophobicContact CB-CD1 4.08Å; V42-L97 HydrophobicContact CG2-CD1 3.51Å; V42-F116 HydrophobicContact CB-CB 4.34Å; V42-F116 PolarHBondContact N-O 2.79Å; V42-F116 PolarHBondContact O-N 3.48Å; V42-F118 HydrophobicContact CG2-CD1 4.01Å; V42-F118 HydrophobicContact CG2-CE1 4.22Å; V42-A144 HydrophobicContact CG1-CB 3.89Å; V42-A144 HydrophobicContact CG2-CB 3.75Å
43L96.3Very high93.5Very high59 Ų5935.1 Ų35.131%0.30919%0.192SC..EExtended strand (participates in β ladder)trans-103.5125.9-177.5-54.2178.7000108.9L20 G21 V23 H41 E115L20-L43 CarbonylContact C-O 3.55Å; L20-L43 WeakPolarHBondContact CA-O 3.39Å; G21-L43 PolarHBondContact N-O 3.03Å; G21-L43 PolarHBondContact O-N 2.73Å; V23-L43 HydrophobicContact CG2-CD1 3.75Å; V23-L43 HydrophobicContact CG2-CG 4.38Å; H41-L43 HydrophobicContact CB-CD2 4.15Å; L43-E115 HydrophobicContact CD2-CB 4.18Å; L43-E115 HydrophobicContact CD2-CG 3.64Å
44L95.2Very high93.5Very high4 Ų434.8 Ų34.82%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-128.5121.4179.8177.465.9000109.6V17 L20 L52 L109 H114 F116 L146V17-L44 HydrophobicContact CG1-CD1 3.52Å; V17-L44 HydrophobicContact CG2-CD1 4.31Å; L20-L44 HydrophobicContact CD1-CB 4.49Å; L20-L44 HydrophobicContact CD1-CD1 4.09Å; L44-L52 HydrophobicContact CD2-CD1 4.3Å; L44-L109 HydrophobicContact CD2-CD2 3.35Å; L44-L109 HydrophobicContact CG-CD2 4.12Å; L44-H114 HydrophobicContact CB-CB 4.42Å; L44-H114 PolarHBondContact N-O 3.48Å; L44-H114 PolarHBondContact O-N 2.86Å; L44-F116 HydrophobicContact CB-CE2 4.17Å; L44-F116 HydrophobicContact CD2-CE2 4.2Å; L44-L146 HydrophobicContact CD1-CD2 3.83Å; L44-L146 HydrophobicContact CD2-CD1 3.94Å; L44-L146 HydrophobicContact CD2-CD2 4.49Å
45E95Very high93.6Very high52 Ų5233 Ų3324%0.24318%0.178CC..EExtended strand (participates in β ladder)trans-108.4120173.2-165.5-174.4160.200110.5K18 S19 G112 K113K18-E45 HydrophobicContact CB-CB 4.24Å; K18-E45 HydrophobicContact CB-CG 4.31Å; K18-E45 WeakPolarHBondContact CB-O 3.17Å; K18-E45 HydrophobicContact CD-CG 3.99Å; K18-E45 WeakPolarHBondContact CD-OE1 3.24Å; K18-E45 PolarHBondContact N-O 2.89Å; K18-E45 IonicContact NZ-OE1 3.74Å; K18-E45 PolarHBondContact NZ-OE1 3.47Å; S19-E45 PolarHBondContact N-O 3.39Å; S19-E45 PolarHBondContact O-N 3.14Å; S19-E45 VanDerWaalsContact OG-CB 3.26Å; S19-E45 WeakPolarHBondContact OG-CB 3.43Å; E45-G112 WeakPolarHBondContact CA-O 3.36Å; E45-K113 HydrophobicContact CG-CG 4.02Å
46A93.6Very high93.7Very high3 Ų336.6 Ų36.63%0.02518%0.184CC..EExtended strand (participates in β ladder)trans-106.1130.7177.600000110.5V50 G112A46-V50 HydrophobicContact CB-CG2 3.8Å; A46-G112 PolarHBondContact N-O 2.8Å; A46-G112 PolarHBondContact O-N 2.79Å
47S90.6Very high93.9Very high41 Ų4134 Ų3429%0.28717%0.172SC..SBendtrans-83.7-26.1171.949.70000113R16 K18R16-S47 WeakPolarHBondContact CB-OG 3.36Å; R16-S47 PolarHBondContact O-N 3.23Å; R16-S47 VanDerWaalsContact O-N 3.07Å; R16-S47 PolarHBondContact O-OG 3.15Å; K18-S47 VanDerWaalsContact CE-CB 3.45Å
48E91.9Very high94Very high94 Ų9432.5 Ų32.544%0.43916%0.161SC..SBendtrans-139.6165.2-174.6-69175.2179.400108.9V50E48-V50 VanDerWaalsContact O-CG2 3.27Å; E48-V50 WeakPolarHBondContact O-CG2 3.21Å; E48-V50 PolarHBondContact O-N 3.32Å; E48-V50 VanDerWaalsContact O-N 3.14Å
49P90.3Very high94.1Very high53 Ų5332.6 Ų32.634%0.34416%0.162SC..  trans-58.5118.9176.4-22.232.9000111.3G15 L108 L109 P111G15-P49 VanDerWaalsContact CA-O 3.27Å; G15-P49 WeakPolarHBondContact CA-O 3.39Å; P49-L108 HydrophobicContact CB-CD1 3.92Å; P49-L108 HydrophobicContact CB-CD2 4.48Å; P49-L108 HydrophobicContact CB-CG 4.27Å; P49-L109 CarbonylContact C-O 3.47Å; P49-L109 VanDerWaalsContact CA-O 3.23Å; P49-L109 WeakPolarHBondContact CA-O 3.48Å; P49-P111 HydrophobicContact CG-CG 4.1Å
50V90.9Very high94.1Very high2 Ų233.3 Ų33.31%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-106.7123.2-176-174.20000110.4V17 A46 E48 L52 L109 R148V17-V50 HydrophobicContact CG2-CG1 4.02Å; V17-V50 HydrophobicContact CG2-CG2 4.1Å; A46-V50 HydrophobicContact CB-CG2 3.8Å; E48-V50 VanDerWaalsContact O-CG2 3.27Å; E48-V50 WeakPolarHBondContact O-CG2 3.21Å; E48-V50 PolarHBondContact O-N 3.32Å; E48-V50 VanDerWaalsContact O-N 3.14Å; V50-L52 HydrophobicContact CG1-CD2 3.75Å; V50-L52 HydrophobicContact CG1-CG 4.45Å; V50-L109 HydrophobicContact CB-CB 4.5Å; V50-L109 PolarHBondContact N-O 2.81Å; V50-L109 WeakPolarHBondContact O-CB 3.35Å; V50-L109 PolarHBondContact O-N 2.92Å; V50-R148 HydrophobicContact CG1-CG 4.48Å
51A90.8Very high94.2Very high28 Ų2833.2 Ų33.223%0.23116%0.162CC..EExtended strand (participates in β ladder)trans-76.5126.2169.300000111I106 I107 P149A51-I106 HydrophobicContact CB-CG2 3.63Å; A51-I107 CarbonylContact C-O 3.54Å; A51-I107 WeakPolarHBondContact CA-O 3.47Å; A51-P149 HydrophobicContact CB-CG 3.93Å; A51-P149 WeakPolarHBondContact O-CD 3.37Å
52L90.6Very high94.2Very high1 Ų133.3 Ų33.31%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-120.7136.9-179.3-59.3-177.6000110.5L44 V50 I106 I107 L109 L146 R148L44-L52 HydrophobicContact CD2-CD1 4.3Å; V50-L52 HydrophobicContact CG1-CD2 3.75Å; V50-L52 HydrophobicContact CG1-CG 4.45Å; L52-I106 CarbonylContact O-C 3.49Å; L52-I106 VanDerWaalsContact O-CA 3.29Å; L52-I106 WeakPolarHBondContact O-CA 3.18Å; L52-I107 HydrophobicContact CB-CB 4.47Å; L52-I107 PolarHBondContact N-O 3.05Å; L52-I107 PolarHBondContact O-N 3Å; L52-L109 HydrophobicContact CD1-CB 4.11Å; L52-L109 HydrophobicContact CD1-CD2 4.18Å; L52-L109 HydrophobicContact CG-CB 4.45Å; L52-L146 HydrophobicContact CD1-CD1 4.03Å; L52-L146 HydrophobicContact CD2-CD1 3.45Å; L52-L146 VanDerWaalsContact CD2-CD1 3.45Å; L52-L146 HydrophobicContact CD2-CD2 4.16Å; L52-L146 HydrophobicContact CD2-CG 3.83Å; L52-L146 HydrophobicContact CG-CD1 4.35Å; L52-R148 HydrophobicContact CD2-CG 3.81Å
53R91.1Very high94.2Very high144 Ų14433.3 Ų33.354%0.54316%0.16SC..SBendtrans-87-43.5168.6-66.4-176.774.6-172.33.1111.1P100 E147 P149R53-P100 VanDerWaalsContact O-CD 3.27Å; R53-P100 WeakPolarHBondContact O-CD 3.36Å; R53-E147 HydrophobicContact CB-CB 4.13Å; R53-E147 PolarHBondContact N-O 3.38Å; R53-P149 HydrophobicContact CG-CG 4.11Å
54A92.9Very high94.2Very high3 Ų332.4 Ų32.43%0.02516%0.157CC..EExtended strand (participates in β ladder)trans-160.3153.8175.600000110.3R56 R98 E147A54-R56 HydrophobicContact CB-CG 4.14Å; A54-R98 WeakPolarHBondContact CA-O 3.25Å; A54-E147 HydrophobicContact CB-CB 4.43Å; A54-E147 PolarHBondContact O-N 2.84Å
55L95.1Very high94.2Very high1 Ų132.2 Ų32.21%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-114.5115.3159.8178.562.7000107.8V42 L97 R98 F116 L146V42-L55 HydrophobicContact CG1-CD1 4.3Å; V42-L55 HydrophobicContact CG1-CD2 4.25Å; L55-L97 HydrophobicContact CB-CB 4.5Å; L55-L97 HydrophobicContact CD2-CB 4.13Å; L55-L97 HydrophobicContact CD2-CD1 4.25Å; L55-L97 HydrophobicContact CG-CB 4.12Å; L55-L97 HydrophobicContact CG-CD1 4.29Å; L55-L97 PolarHBondContact O-N 3.11Å; L55-R98 HydrophobicContact CB-CB 3.93Å; L55-R98 PolarHBondContact N-O 2.78Å; L55-R98 PolarHBondContact O-N 3.04Å; L55-F116 HydrophobicContact CD2-CB 3.93Å; L55-F116 HydrophobicContact CD2-CD1 4.03Å; L55-F116 HydrophobicContact CD2-CD2 3.27Å; L55-F116 HydrophobicContact CD2-CE1 4.38Å; L55-F116 HydrophobicContact CD2-CE2 3.68Å; L55-F116 HydrophobicContact CD2-CG 3.46Å; L55-F116 VanDerWaalsContact CD2-CG 3.46Å; L55-F116 HydrophobicContact CD2-CZ 4.22Å; L55-L146 HydrophobicContact CD1-CB 4.38Å; L55-L146 HydrophobicContact CD1-CD1 3.9Å
56R96.1Very high94.1Very high97 Ų9732 Ų3237%0.36616%0.163SC..EExtended strand (participates in β ladder)trans-114.9149.8-177.8-61.5-177.4-177.4157.410.5110.9A54 L95 A144 V145 E147A54-R56 HydrophobicContact CB-CG 4.14Å; R56-L95 CarbonylContact C-O 3.56Å; R56-L95 WeakPolarHBondContact CA-O 3.43Å; R56-A144 CarbonylContact O-C 3.53Å; R56-A144 WeakPolarHBondContact O-CA 3.22Å; R56-V145 PolarHBondContact N-O 3.41Å; R56-V145 PolarHBondContact O-N 2.81Å; R56-E147 WeakPolarHBondContact CD-OE1 3.32Å; R56-E147 IonicContact CZ-OE1 2.84Å; R56-E147 IonicContact CZ-OE2 3.98Å; R56-E147 IonicContact NE-OE1 3.97Å; R56-E147 PolarHBondContact NE-OE1 3.22Å; R56-E147 IonicContact NE-OE2 3.57Å; R56-E147 IonicContact NH1-OE1 2.58Å; R56-E147 PolarHBondContact NH1-OE1 3.49Å; R56-E147 IonicContact NH1-OE2 3.73Å; R56-E147 IonicContact NH2-OE1 3.61Å; R56-E147 IonicContact NH2-OE2 3.5Å; R56-E147 PolarHBondContact NH2-OE2 3.24Å
57L97.4Very high94Very high1 Ų133.4 Ų33.41%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-115.7129.1169.2-164.180.3000108.5L22 V42 R94 L95 L97 F118 F120 V142 R143 A144L22-L57 HydrophobicContact CD1-CD1 3.71Å; V42-L57 HydrophobicContact CG2-CD1 3.96Å; L57-R94 CarbonylContact O-C 3.53Å; L57-R94 WeakPolarHBondContact O-CA 3.21Å; L57-L95 HydrophobicContact CB-CB 4.19Å; L57-L95 HydrophobicContact CD2-CD1 3.97Å; L57-L95 PolarHBondContact N-O 2.78Å; L57-L95 PolarHBondContact O-N 2.92Å; L57-L97 HydrophobicContact CB-CD1 4.21Å; L57-L97 HydrophobicContact CB-CD2 4.33Å; L57-L97 HydrophobicContact CB-CG 4.19Å; L57-L97 HydrophobicContact CD1-CD1 4.47Å; L57-F118 HydrophobicContact CD1-CD1 4.25Å; L57-F118 HydrophobicContact CD1-CE1 4.39Å; L57-F118 HydrophobicContact CD1-CG 4.48Å; L57-F118 HydrophobicContact CD2-CB 3.7Å; L57-F118 HydrophobicContact CD2-CD1 4.04Å; L57-F118 HydrophobicContact CD2-CD2 3.42Å; L57-F118 VanDerWaalsContact CD2-CD2 3.42Å; L57-F118 HydrophobicContact CD2-CE2 4Å; L57-F118 HydrophobicContact CD2-CG 3.45Å; L57-F118 VanDerWaalsContact CD2-CG 3.45Å; L57-F120 HydrophobicContact CD2-CD1 4.2Å; L57-F120 HydrophobicContact CD2-CE1 4.05Å; L57-V142 HydrophobicContact CD1-CG1 3.65Å; L57-V142 HydrophobicContact CD2-CG1 3.91Å; L57-V142 HydrophobicContact CG-CG1 3.73Å; L57-R143 CarbonylContact C-O 3.57Å; L57-R143 WeakPolarHBondContact CA-O 3.46Å; L57-A144 HydrophobicContact CD1-CB 4.08Å
58E97.3Very high93.7Very high22 Ų2233.9 Ų33.910%0.10318%0.179CC..EExtended strand (participates in β ladder)trans-122.5116.8177.1-61.1-179-173.900108.8Q60 V93 R94 V142 R143E58-Q60 PolarHBondContact OE2-NE2 3Å; E58-V93 CarbonylContact C-O 3.54Å; E58-V93 WeakPolarHBondContact CA-O 3.13Å; E58-R94 HydrophobicContact CG-CG 4.32Å; E58-V142 CarbonylContact O-C 3.52Å; E58-V142 WeakPolarHBondContact O-CA 3.45Å; E58-R143 PolarHBondContact N-O 2.77Å; E58-R143 PolarHBondContact O-N 3.31Å; E58-R143 IonicContact OE1-NH1 2.81Å; E58-R143 IonicContact OE2-CZ 3.51Å; E58-R143 IonicContact OE2-NH1 3.05Å; E58-R143 PolarHBondContact OE2-NH1 3.38Å
59A96.8Very high92.8Very high2 Ų232.3 Ų32.32%0.01718%0.177CC..EExtended strand (participates in β ladder)trans-102.4124169.300000109.3L91 N92 V93 F120 C141 V142A59-L91 HydrophobicContact CB-CD2 4.06Å; A59-N92 WeakPolarHBondContact O-CA 3.36Å; A59-V93 HydrophobicContact CB-CB 4.2Å; A59-V93 PolarHBondContact N-O 3.25Å; A59-V93 PolarHBondContact O-N 3.33Å; A59-F120 HydrophobicContact CB-CE1 4.16Å; A59-F120 HydrophobicContact CB-CE2 3.73Å; A59-F120 HydrophobicContact CB-CZ 3.49Å; A59-F120 VanDerWaalsContact CB-CZ 3.49Å; A59-C141 CarbonylContact C-O 3.52Å; A59-C141 VanDerWaalsContact CA-O 3.32Å; A59-C141 WeakPolarHBondContact CA-O 3.23Å; A59-V142 HydrophobicContact CB-CG2 4.13Å
60Q96.6Very high91.3Very high31 Ų3134.9 Ų34.915%0.14520%0.196CC..EExtended strand (participates in β ladder)trans-131.3136.7-174.3-63.8176-1.100109.4E58 L91 Y140 C141E58-Q60 PolarHBondContact OE2-NE2 3Å; Q60-L91 CarbonylContact C-O 3.57Å; Q60-L91 VanDerWaalsContact CA-O 3.31Å; Q60-L91 WeakPolarHBondContact CA-O 3.29Å; Q60-Y140 CarbonylContact O-C 3.58Å; Q60-Y140 WeakPolarHBondContact O-CA 3.4Å; Q60-C141 PolarHBondContact N-O 2.77Å; Q60-C141 PolarHBondContact O-N 2.81Å
61G96.4Very high89.5Confident0 Ų038.5 Ų38.50%023%0.226CC..EExtended strand (participates in β ladder)trans-134.4118.4177.800000109.3Y90 L91 Q139G61-Y90 PolarHBondContact O-N 3.41Å; G61-L91 PolarHBondContact N-O 2.89Å; G61-L91 PolarHBondContact O-N 2.95Å; G61-Q139 WeakPolarHBondContact CA-O 3.47Å
62R96.3Very high87.8Confident62 Ų6238.6 Ų38.623%0.23423%0.23CC..EExtended strand (participates in β ladder)trans-139.3142-173.8-44.9-171.8-156.6-100-5.2111.1E87 V88 E89 I138 Q139R62-E87 HydrophobicContact CB-CG 4.46Å; R62-E87 WeakPolarHBondContact CD-OE1 3.27Å; R62-E87 IonicContact CZ-OE1 3.85Å; R62-E87 IonicContact NE-OE1 3.31Å; R62-E87 IonicContact NH1-OE1 3.6Å; R62-V88 CarbonylContact C-O 3.54Å; R62-V88 VanDerWaalsContact CA-O 3.28Å; R62-V88 WeakPolarHBondContact CA-O 3.33Å; R62-E89 IonicContact CZ-OE1 3.98Å; R62-E89 IonicContact NH1-OE1 2.77Å; R62-E89 PolarHBondContact NH1-OE1 2.86Å; R62-E89 IonicContact NH2-OE1 3.01Å; R62-I138 WeakPolarHBondContact O-CA 3.39Å; R62-Q139 PolarHBondContact N-O 2.84Å; R62-Q139 PolarHBondContact O-N 2.76Å
63A96.8Very high86.2Confident0 Ų045.5 Ų45.50%028%0.275CS..EExtended strand (participates in β ladder)trans-94.6133.716100000108.5E87 V88 Y90 S137 I138 I286A63-E87 CarbonylContact O-C 3.57Å; A63-E87 VanDerWaalsContact O-CA 3.27Å; A63-E87 WeakPolarHBondContact O-CA 3.34Å; A63-V88 PolarHBondContact N-O 2.81Å; A63-V88 PolarHBondContact O-N 2.77Å; A63-Y90 HydrophobicContact CB-CD2 4.34Å; A63-Y90 HydrophobicContact CB-CE2 3.73Å; A63-S137 CarbonylContact C-O 3.56Å; A63-S137 WeakPolarHBondContact CA-O 3.36Å; A63-I138 HydrophobicContact CB-CG1 3.92Å; A63-I286 HydrophobicContact CB-CD1 3.72Å; A63-I286 HydrophobicContact CB-CG1 3.8Å; A63-I286 WeakPolarHBondContact O-CD1 3.21Å
64T96.3Very high84.4Confident39 Ų3944.8 Ų44.824%0.23929%0.29CS..EExtended strand (participates in β ladder)trans-128133.6175.5550000109.6S86 E87 G136 S137T64-S86 WeakPolarHBondContact CA-O 3.41Å; T64-E87 HydrophobicContact CG2-CB 4.41Å; T64-E87 HydrophobicContact CG2-CG 4.02Å; T64-G136 CarbonylContact O-C 3.58Å; T64-G136 WeakPolarHBondContact O-CA 3.45Å; T64-S137 PolarHBondContact N-O 2.85Å; T64-S137 PolarHBondContact O-N 2.84Å; T64-S137 PolarHBondContact OG1-O 2.89Å; T64-S137 PolarHBondContact OG1-OG 2.77Å
65A95.8Very high82.4Confident0 Ų046.7 Ų46.70%031%0.306CS..EExtended strand (participates in β ladder)trans-129.3121.1174.800000108.8W67 F85 S86 Y135 A240 I286 I287A65-W67 HydrophobicContact CB-CZ3 4.17Å; A65-F85 CarbonylContact O-C 3.56Å; A65-F85 WeakPolarHBondContact O-CA 3.17Å; A65-S86 PolarHBondContact N-O 3.5Å; A65-S86 PolarHBondContact O-N 3.06Å; A65-Y135 CarbonylContact C-O 3.54Å; A65-Y135 WeakPolarHBondContact CA-O 3.33Å; A65-A240 HydrophobicContact CB-CB 4.15Å; A65-I286 HydrophobicContact CB-CD1 4.02Å; A65-I287 HydrophobicContact CB-CG1 4.48Å
66A92.2Very high80.7Confident47 Ų4749.7 Ų49.739%0.38833%0.327SS..EExtended strand (participates in β ladder)trans-146.7135.7-173.100000112.4V84 F85 Y135A66-V84 VanDerWaalsContact CA-O 3.23Å; A66-V84 WeakPolarHBondContact CA-O 3.05Å; A66-F85 HydrophobicContact CB-CD2 3.84Å; A66-Y135 PolarHBondContact N-O 2.94Å
67W91.4Very high78.9Confident33 Ų3349.6 Ų49.613%0.12535%0.347CS..EExtended strand (participates in β ladder)trans-158.9155.6171.158.884.1000111.8A65 V84 Y135 Y238 A240 K243 K245A65-W67 HydrophobicContact CB-CZ3 4.17Å; W67-V84 HydrophobicContact CD2-CB 4.32Å; W67-V84 HydrophobicContact CG-CB 4.44Å; W67-V84 HydrophobicContact CZ2-CB 4.41Å; W67-V84 HydrophobicContact CZ2-CG1 3.91Å; W67-V84 PolarHBondContact N-O 2.92Å; W67-V84 PolarHBondContact O-N 2.86Å; W67-Y135 HydrophobicContact CB-CD1 3.77Å; W67-Y135 HydrophobicContact CB-CE1 4.27Å; W67-Y135 HydrophobicContact CB-CG 4.43Å; W67-Y238 WeakPolarHBondContact CH2-O 3.38Å; W67-A240 HydrophobicContact CE3-CB 4.34Å; W67-A240 HydrophobicContact CH2-CB 3.42Å; W67-A240 VanDerWaalsContact CH2-CB 3.42Å; W67-A240 VanDerWaalsContact CH2-N 3.35Å; W67-A240 HydrophobicContact CZ2-CB 4.01Å; W67-A240 HydrophobicContact CZ3-CB 3.57Å; W67-K243 WeakPolarHBondContact CH2-O 3.3Å; W67-K243 HydrophobicContact CZ2-CB 4.06Å; W67-K243 WeakPolarHBondContact CZ2-O 3.3Å; W67-K245 HydrophobicContact CD2-CB 4.5Å; W67-K245 HydrophobicContact CD2-CG 3.81Å; W67-K245 VanDerWaalsContact CE2-CG 3.47Å; W67-K245 HydrophobicContact CE3-CG 4.37Å; W67-K245 HydrophobicContact CG-CG 4.2Å; W67-K245 HydrophobicContact CH2-CB 4.29Å; W67-K245 HydrophobicContact CH2-CG 4.22Å; W67-K245 HydrophobicContact CZ2-CB 4.26Å; W67-K245 HydrophobicContact CZ2-CG 3.7Å; W67-K245 HydrophobicContact CZ3-CB 4.5Å
68G84.6Confident77Confident51 Ų5153.7 Ų53.753%0.52638%0.376SS..SBendtrans138.6-171.2-179.700000111.4S70G68-S70 PolarHBondContact O-N 2.85Å
69P74.1Confident74.8Confident61 Ų6153.7 Ų53.740%0.39638%0.38SS..SBendtrans-59.2127.8171.8-12.426.5000108.5A71 L82P69-A71 PolarHBondContact O-N 2.89Å; P69-L82 HydrophobicContact CG-CB 4.13Å
70S57Low72.8Confident107 Ų10756.8 Ų56.875%0.74840%0.401SS*.  trans-59.6127.8173.7590000108.5G68 G72G68-S70 PolarHBondContact O-N 2.85Å; S70-G72 PolarHBondContact O-N 3.18Å
71A54.8Low71Confident78 Ų7859.3 Ų59.365%0.64543%0.428SS*.  trans-68.278.1167.900000108.6P69P69-A71 PolarHBondContact O-N 2.89Å
72G55.1Low69.6Low30 Ų3064.5 Ų64.531%0.30946%0.455SS..  trans-71.4161.4165.600000109.8S70 C74 A75S70-G72 PolarHBondContact O-N 3.18Å; G72-C74 PolarHBondContact O-N 2.92Å; G72-A75 WeakPolarHBondContact O-CB 3.47Å; G72-A75 PolarHBondContact O-N 3.04Å
73P55.8Low68.7Low146 Ų14663.8 Ų63.895%0.94846%0.462SS*.THydrogen-bonded Turntrans-58.9-13.5-179.219.6-29.8000114.3
74C53.4Low68.2Low129 Ų12964.2 Ų64.287%0.87246%0.464SS*.THydrogen-bonded Turntrans-10812.3176.5-53.90000114G72 S76G72-C74 PolarHBondContact O-N 2.92Å; C74-S76 PolarHBondContact O-N 3Å
75A52.1Low68Low44 Ų4467.6 Ų67.636%0.36448%0.476SS..  trans-71.9125179.100000110.6G72 A79G72-A75 WeakPolarHBondContact O-CB 3.47Å; G72-A75 PolarHBondContact O-N 3.04Å; A75-A79 HydrophobicContact CB-CB 4.43Å
76S58.4Low67.9Low64 Ų6468.9 Ų68.945%0.44849%0.485SS..  trans-59.3149.917359.50000110.6C74 S78 A79 S80C74-S76 PolarHBondContact O-N 3Å; S76-S78 PolarHBondContact O-N 3.1Å; S76-S78 PolarHBondContact OG-OG 3.13Å; S76-A79 WeakPolarHBondContact O-CB 3.46Å; S76-A79 PolarHBondContact O-N 3.29Å; S76-A79 PolarHBondContact OG-N 3.3Å; S76-S80 PolarHBondContact O-N 2.9Å
77A57.7Low68Low95 Ų9571 Ų7179%0.78549%0.487SS*.Hα-helixtrans-52.7-27.8175.700000112.9
78S57.4Low68.2Low87 Ų8771.3 Ų71.361%0.60849%0.492SS*.Hα-helixtrans-71.4-28.9174.159.50000114.8S76S76-S78 PolarHBondContact O-N 3.1Å; S76-S78 PolarHBondContact OG-OG 3.13Å
79A52.6Low68.7Low22 Ų2272.8 Ų72.818%0.18249%0.486CS..Hα-helixtrans-79.4-33.2178.200000112.1A75 S76 A81 L82A75-A79 HydrophobicContact CB-CB 4.43Å; S76-A79 WeakPolarHBondContact O-CB 3.46Å; S76-A79 PolarHBondContact O-N 3.29Å; S76-A79 PolarHBondContact OG-N 3.3Å; A79-A81 VanDerWaalsContact C-N 3.27Å; A79-A81 PolarHBondContact O-N 3.28Å; A79-L82 PolarHBondContact O-N 3.02Å
80S54.9Low69.6Low67 Ų6772 Ų7247%0.46948%0.475SS..Hα-helixtrans-65.2-30173.9-1710000112.6S76 L82 A83S76-S80 PolarHBondContact O-N 2.9Å; S80-L82 PolarHBondContact O-N 3.49Å; S80-A83 WeakPolarHBondContact O-CB 3.46Å; S80-A83 PolarHBondContact O-N 2.99Å
81A58.8Low71.5Confident84 Ų8467.1 Ų67.169%0.69444%0.441SS*.THydrogen-bonded Turntrans-69.3-14.7176.600000113.6A79A79-A81 VanDerWaalsContact C-N 3.27Å; A79-A81 PolarHBondContact O-N 3.28Å
82L66.6Low73.4Confident109 Ų10966.7 Ų66.757%0.57143%0.427SS*.THydrogen-bonded Turntrans-94.5-11.3176.5-64.7175.3000113.1P69 A79 S80 V84P69-L82 HydrophobicContact CG-CB 4.13Å; A79-L82 PolarHBondContact O-N 3.02Å; S80-L82 PolarHBondContact O-N 3.49Å; L82-V84 PolarHBondContact O-N 2.78Å
83A77.9Confident75.3Confident46 Ų4666.8 Ų66.838%0.3842%0.422SS..  trans-70.7125.6174.800000109.5S80S80-A83 WeakPolarHBondContact O-CB 3.46Å; S80-A83 PolarHBondContact O-N 2.99Å
84V85Confident77.2Confident9 Ų967.9 Ų67.96%0.05541%0.407CS..EExtended strand (participates in β ladder)trans-102.1129.9179.1-170.30000107.1A66 W67 L82 A240 K243A66-V84 VanDerWaalsContact CA-O 3.23Å; A66-V84 WeakPolarHBondContact CA-O 3.05Å; W67-V84 HydrophobicContact CD2-CB 4.32Å; W67-V84 HydrophobicContact CG-CB 4.44Å; W67-V84 HydrophobicContact CZ2-CB 4.41Å; W67-V84 HydrophobicContact CZ2-CG1 3.91Å; W67-V84 PolarHBondContact N-O 2.92Å; W67-V84 PolarHBondContact O-N 2.86Å; L82-V84 PolarHBondContact O-N 2.78Å; V84-A240 VanDerWaalsContact CG1-C 3.42Å; V84-A240 HydrophobicContact CG1-CB 3.5Å; V84-A240 VanDerWaalsContact CG1-CB 3.5Å; V84-A240 WeakPolarHBondContact CG1-O 3.07Å; V84-K243 HydrophobicContact CG2-CD 3.83Å
85F91.6Very high79.2Confident110 Ų11064.2 Ų64.248%0.48238%0.379SS..EExtended strand (participates in β ladder)trans-144.7138-178.2179.8-98.4000110.3A65 A66 E87 S241A65-F85 CarbonylContact O-C 3.56Å; A65-F85 WeakPolarHBondContact O-CA 3.17Å; A66-F85 HydrophobicContact CB-CD2 3.84Å; F85-E87 HydrophobicContact CE1-CB 3.81Å; F85-E87 HydrophobicContact CZ-CB 3.83Å; F85-E87 WeakPolarHBondContact CZ-OE2 3.48Å; F85-S241 PolarHBondContact O-OG 3.13Å
86S94.1Very high81.2Confident28 Ų2865 Ų6520%0.19638%0.382CS..EExtended strand (participates in β ladder)trans-147.4143.5169.1-68.40000110T64 A65 A240 S241T64-S86 WeakPolarHBondContact CA-O 3.41Å; A65-S86 PolarHBondContact N-O 3.5Å; A65-S86 PolarHBondContact O-N 3.06Å; S86-A240 WeakPolarHBondContact OG-CA 3.37Å; S86-S241 PolarHBondContact OG-N 2.88Å
87E94.9Very high82.8Confident90 Ų9063.8 Ų63.842%0.42137%0.37SS..EExtended strand (participates in β ladder)trans-136.8138.1-177.3-178.6178144.600109.1R62 A63 T64 F85R62-E87 HydrophobicContact CB-CG 4.46Å; R62-E87 WeakPolarHBondContact CD-OE1 3.27Å; R62-E87 IonicContact CZ-OE1 3.85Å; R62-E87 IonicContact NE-OE1 3.31Å; R62-E87 IonicContact NH1-OE1 3.6Å; A63-E87 CarbonylContact O-C 3.57Å; A63-E87 VanDerWaalsContact O-CA 3.27Å; A63-E87 WeakPolarHBondContact O-CA 3.34Å; T64-E87 HydrophobicContact CG2-CB 4.41Å; T64-E87 HydrophobicContact CG2-CG 4.02Å; F85-E87 HydrophobicContact CE1-CB 3.81Å; F85-E87 HydrophobicContact CZ-CB 3.83Å; F85-E87 WeakPolarHBondContact CZ-OE2 3.48Å
88V95.3Very high84.3Confident40 Ų4065 Ų6524%0.24235%0.354CS..EExtended strand (participates in β ladder)trans-131.8127.4174.9-179.40000108.1R62 A63 Y90 C285 I286R62-V88 CarbonylContact C-O 3.54Å; R62-V88 VanDerWaalsContact CA-O 3.28Å; R62-V88 WeakPolarHBondContact CA-O 3.33Å; A63-V88 PolarHBondContact N-O 2.81Å; A63-V88 PolarHBondContact O-N 2.77Å; V88-Y90 HydrophobicContact CB-CE2 4.08Å; V88-Y90 HydrophobicContact CG1-CD2 4.37Å; V88-Y90 HydrophobicContact CG1-CE2 3.78Å; V88-C285 HydrophobicContact CG2-CB 4.45Å; V88-I286 HydrophobicContact CG2-CD1 4.18Å; V88-I286 HydrophobicContact CG2-CG1 4.09Å; V88-I286 HydrophobicContact CG2-CG2 3.72Å
89E95.1Very high85.7Confident83 Ų8366.2 Ų66.239%0.38835%0.35SS..EExtended strand (participates in β ladder)trans-92.3128.7178-171.9169.4-131.500110.1R62 N92R62-E89 IonicContact CZ-OE1 3.98Å; R62-E89 IonicContact NH1-OE1 2.77Å; R62-E89 PolarHBondContact NH1-OE1 2.86Å; R62-E89 IonicContact NH2-OE1 3.01Å; E89-N92 VanDerWaalsContact CD-ND2 3.3Å; E89-N92 HydrophobicContact CG-CB 4.29Å; E89-N92 WeakPolarHBondContact OE1-CB 3.46Å; E89-N92 VanDerWaalsContact OE1-CG 3.25Å; E89-N92 PolarHBondContact OE1-ND2 2.9Å; E89-N92 PolarHBondContact OE2-ND2 2.79Å
90Y94Very high87.1Confident45 Ų4566.9 Ų66.918%0.17635%0.353CS..EExtended strand (participates in β ladder)trans-112.4-18.3178.1-71.5-82.2000112.8G61 A63 V88 V128 C284 C285G61-Y90 PolarHBondContact O-N 3.41Å; A63-Y90 HydrophobicContact CB-CD2 4.34Å; A63-Y90 HydrophobicContact CB-CE2 3.73Å; V88-Y90 HydrophobicContact CB-CE2 4.08Å; V88-Y90 HydrophobicContact CG1-CD2 4.37Å; V88-Y90 HydrophobicContact CG1-CE2 3.78Å; Y90-V128 HydrophobicContact CD1-CG1 4.19Å; Y90-V128 HydrophobicContact CD1-CG2 4.02Å; Y90-V128 HydrophobicContact CD2-CG2 3.61Å; Y90-V128 HydrophobicContact CE1-CG1 3.63Å; Y90-V128 HydrophobicContact CE1-CG2 4.03Å; Y90-V128 HydrophobicContact CE2-CG1 4.41Å; Y90-V128 HydrophobicContact CE2-CG2 3.62Å; Y90-V128 HydrophobicContact CG-CG2 3.81Å; Y90-C284 WeakPolarHBondContact OH-CA 3.49Å; Y90-C284 PolarHBondContact OH-SG 2.81Å; Y90-C285 PolarHBondContact OH-N 3.09Å
91L95.3Very high88.1Confident4 Ų467.4 Ų67.42%0.02136%0.355CS..EExtended strand (participates in β ladder)trans-147.1130.3179175.874000109.3A59 Q60 G61 V93 L122 P123 Y140A59-L91 HydrophobicContact CB-CD2 4.06Å; Q60-L91 CarbonylContact C-O 3.57Å; Q60-L91 VanDerWaalsContact CA-O 3.31Å; Q60-L91 WeakPolarHBondContact CA-O 3.29Å; G61-L91 PolarHBondContact N-O 2.89Å; G61-L91 PolarHBondContact O-N 2.95Å; L91-V93 HydrophobicContact CD1-CG2 3.7Å; L91-L122 HydrophobicContact CD1-CD2 4.18Å; L91-L122 HydrophobicContact CD2-CD2 3.89Å; L91-P123 VanDerWaalsContact CD1-CD 3.42Å; L91-P123 HydrophobicContact CD1-CG 3.83Å; L91-Y140 HydrophobicContact CB-CD1 4.15Å; L91-Y140 HydrophobicContact CB-CE1 4.08Å; L91-Y140 HydrophobicContact CD2-CD1 4Å
92N95.4Very high88.7Confident68 Ų6868.9 Ų68.936%0.36437%0.367SS..EExtended strand (participates in β ladder)trans-146.394.9170.8-162.9-18.3000109.1A59 E89A59-N92 WeakPolarHBondContact O-CA 3.36Å; E89-N92 VanDerWaalsContact CD-ND2 3.3Å; E89-N92 HydrophobicContact CG-CB 4.29Å; E89-N92 WeakPolarHBondContact OE1-CB 3.46Å; E89-N92 VanDerWaalsContact OE1-CG 3.25Å; E89-N92 PolarHBondContact OE1-ND2 2.9Å; E89-N92 PolarHBondContact OE2-ND2 2.79Å
93V95.6Very high88.8Confident33 Ų3367.8 Ų67.820%0.238%0.382CS..EExtended strand (participates in β ladder)trans-117.6133.9177.5175.10000108.2E58 A59 L91 L95 F120E58-V93 CarbonylContact C-O 3.54Å; E58-V93 WeakPolarHBondContact CA-O 3.13Å; A59-V93 HydrophobicContact CB-CB 4.2Å; A59-V93 PolarHBondContact N-O 3.25Å; A59-V93 PolarHBondContact O-N 3.33Å; L91-V93 HydrophobicContact CD1-CG2 3.7Å; V93-L95 HydrophobicContact CG1-CD2 4.2Å; V93-L95 HydrophobicContact CG1-CG 4.21Å; V93-F120 HydrophobicContact CG1-CB 4.12Å; V93-F120 HydrophobicContact CG1-CD2 4.29Å; V93-F120 HydrophobicContact CG1-CG 4.19Å
94R95.8Very high88.3Confident169 Ų16971.6 Ų71.664%0.63839%0.392SS*.EExtended strand (participates in β ladder)trans-128.5126.7176-57.2-174.8-171.6-176.1-0108.9L57 E58L57-R94 CarbonylContact O-C 3.53Å; L57-R94 WeakPolarHBondContact O-CA 3.21Å; E58-R94 HydrophobicContact CG-CG 4.32Å
95L94.9Very high87.9Confident51 Ų5173.8 Ų73.827%0.26742%0.416SS..EExtended strand (participates in β ladder)trans-123.5139.7176.9-52.7173.1000109.1R56 L57 V93 L97 F120R56-L95 CarbonylContact C-O 3.56Å; R56-L95 WeakPolarHBondContact CA-O 3.43Å; L57-L95 HydrophobicContact CB-CB 4.19Å; L57-L95 HydrophobicContact CD2-CD1 3.97Å; L57-L95 PolarHBondContact N-O 2.78Å; L57-L95 PolarHBondContact O-N 2.92Å; V93-L95 HydrophobicContact CG1-CD2 4.2Å; V93-L95 HydrophobicContact CG1-CG 4.21Å; L95-L97 HydrophobicContact CB-CD2 4.39Å; L95-F120 HydrophobicContact CD1-CB 4.07Å; L95-F120 HydrophobicContact CD1-CD1 4.03Å; L95-F120 HydrophobicContact CD1-CG 4.45Å
96S93.6Very high87.6Confident62 Ų6272.2 Ų72.243%0.43441%0.412SS..EExtended strand (participates in β ladder)trans-96.2109.1169-69.20000109E99S96-E99 VanDerWaalsContact CB-CD 3.47Å; S96-E99 WeakPolarHBondContact CB-OE1 3.38Å; S96-E99 PolarHBondContact OG-OE1 2.85Å
97L92.8Very high87.3Confident37 Ų3771.6 Ų71.619%0.19441%0.406CS..EExtended strand (participates in β ladder)trans-81.1-30.7179.9-56.1-175.4000111.6V42 L55 L57 L95 F116 F118V42-L97 HydrophobicContact CB-CD1 4.08Å; V42-L97 HydrophobicContact CG2-CD1 3.51Å; L55-L97 HydrophobicContact CB-CB 4.5Å; L55-L97 HydrophobicContact CD2-CB 4.13Å; L55-L97 HydrophobicContact CD2-CD1 4.25Å; L55-L97 HydrophobicContact CG-CB 4.12Å; L55-L97 HydrophobicContact CG-CD1 4.29Å; L55-L97 PolarHBondContact O-N 3.11Å; L57-L97 HydrophobicContact CB-CD1 4.21Å; L57-L97 HydrophobicContact CB-CD2 4.33Å; L57-L97 HydrophobicContact CB-CG 4.19Å; L57-L97 HydrophobicContact CD1-CD1 4.47Å; L95-L97 HydrophobicContact CB-CD2 4.39Å; L97-F116 HydrophobicContact CB-CB 4.25Å; L97-F116 HydrophobicContact CD1-CB 4.15Å; L97-F118 HydrophobicContact CD1-CB 4.45Å; L97-F118 HydrophobicContact CD2-CB 3.65Å
98R89.8Confident87.1Confident122 Ų12272.3 Ų72.346%0.4641%0.412SS..EExtended strand (participates in β ladder)trans-149.5125176-167.572.1-175.1-172.10.6110.6A54 L55 I107 F116A54-R98 WeakPolarHBondContact CA-O 3.25Å; L55-R98 HydrophobicContact CB-CB 3.93Å; L55-R98 PolarHBondContact N-O 2.78Å; L55-R98 PolarHBondContact O-N 3.04Å; R98-I107 HydrophobicContact CG-CD1 3.42Å; R98-I107 VanDerWaalsContact CG-CD1 3.42Å; R98-F116 HydrophobicContact CB-CD1 4.38Å; R98-F116 HydrophobicContact CB-CE1 4.11Å; R98-F116 HydrophobicContact CG-CE1 4.24Å
99E85.1Confident86.9Confident112 Ų11271.2 Ų71.252%0.52341%0.405SS..  trans-130.5152.7175.8-77.4-179.5172.400110.5S96 I107S96-E99 VanDerWaalsContact CB-CD 3.47Å; S96-E99 WeakPolarHBondContact CB-OE1 3.38Å; S96-E99 PolarHBondContact OG-OE1 2.85Å; E99-I107 WeakPolarHBondContact O-CD1 3.32Å
100P82.5Confident86.8Confident36 Ų3672.4 Ų72.423%0.23441%0.41CS..  trans-70.8152.7-179.328.9-34000111.3R53 E104 I107R53-P100 VanDerWaalsContact O-CD 3.27Å; R53-P100 WeakPolarHBondContact O-CD 3.36Å; P100-E104 WeakPolarHBondContact CB-O 3.31Å; P100-E104 VanDerWaalsContact CG-O 3.32Å; P100-E104 WeakPolarHBondContact CG-O 3.37Å; P100-I107 VanDerWaalsContact CA-CG1 3.48Å; P100-I107 HydrophobicContact CB-CD1 4.37Å; P100-I107 HydrophobicContact CB-CG1 3.72Å
101P76.1Confident86.8Confident78 Ų7873.2 Ų73.251%0.50642%0.422SS..  trans-57.1148.5172.8-17.329.1000111G103 E104P101-G103 PolarHBondContact O-N 2.77Å; P101-E104 PolarHBondContact O-N 2.83Å
102A72.2Confident86.7Confident115 Ų11574.5 Ų74.595%0.9544%0.435SS*.THydrogen-bonded Turntrans-55.1115.917900000111
103G67.3Low86.7Confident86 Ų8679.2 Ų79.289%0.88745%0.453SS*.THydrogen-bonded Turntrans109.3-17.9-17900000114.8P101P101-G103 PolarHBondContact O-N 2.77Å
104E68.8Low86.6Confident126 Ų12679.8 Ų79.859%0.58945%0.453SS*.  trans-104.2137.2172.2-70.2-179.5179.300109.8P100 P101P100-E104 WeakPolarHBondContact CB-O 3.31Å; P100-E104 VanDerWaalsContact CG-O 3.32Å; P100-E104 WeakPolarHBondContact CG-O 3.37Å; P101-E104 PolarHBondContact O-N 2.83Å
105G76.6Confident86.6Confident55 Ų5578 Ų7857%0.56745%0.452SS*.SBendtrans-90.5-3.8-179.900000114.3
106I85.3Confident86.7Confident76 Ų7676.6 Ų76.639%0.3944%0.444SS..  trans-150142.4-166.5-56.7176.5000109.4A51 L52 P149A51-I106 HydrophobicContact CB-CG2 3.63Å; L52-I106 CarbonylContact O-C 3.49Å; L52-I106 VanDerWaalsContact O-CA 3.29Å; L52-I106 WeakPolarHBondContact O-CA 3.18Å; I106-P149 HydrophobicContact CD1-CB 4.22Å; I106-P149 HydrophobicContact CD1-CG 3.73Å; I106-P149 HydrophobicContact CG1-CG 4.07Å; I106-P149 HydrophobicContact CG2-CG 4.17Å
107I87.8Confident86.8Confident16 Ų1678 Ų788%0.08245%0.451CS..EExtended strand (participates in β ladder)trans-108.6134.4170.5-53.3171.2000108.5A51 L52 R98 E99 P100A51-I107 CarbonylContact C-O 3.54Å; A51-I107 WeakPolarHBondContact CA-O 3.47Å; L52-I107 HydrophobicContact CB-CB 4.47Å; L52-I107 PolarHBondContact N-O 3.05Å; L52-I107 PolarHBondContact O-N 3Å; R98-I107 HydrophobicContact CG-CD1 3.42Å; R98-I107 VanDerWaalsContact CG-CD1 3.42Å; E99-I107 WeakPolarHBondContact O-CD1 3.32Å; P100-I107 VanDerWaalsContact CA-CG1 3.48Å; P100-I107 HydrophobicContact CB-CD1 4.37Å; P100-I107 HydrophobicContact CB-CG1 3.72Å
108L89.9Confident87Confident105 Ų10576.7 Ų76.755%0.5544%0.444SS..EExtended strand (participates in β ladder)trans-94.6108.9171.6-169.768.3000110.5P49P49-L108 HydrophobicContact CB-CD1 3.92Å; P49-L108 HydrophobicContact CB-CD2 4.48Å; P49-L108 HydrophobicContact CB-CG 4.27Å
109L90.7Very high87.3Confident16 Ų1679.7 Ų79.78%0.08446%0.456CS..EExtended strand (participates in β ladder)trans-85.6127.4175.3-162.978.6000110L44 P49 V50 L52 H114 F116L44-L109 HydrophobicContact CD2-CD2 3.35Å; L44-L109 HydrophobicContact CG-CD2 4.12Å; P49-L109 CarbonylContact C-O 3.47Å; P49-L109 VanDerWaalsContact CA-O 3.23Å; P49-L109 WeakPolarHBondContact CA-O 3.48Å; V50-L109 HydrophobicContact CB-CB 4.5Å; V50-L109 PolarHBondContact N-O 2.81Å; V50-L109 WeakPolarHBondContact O-CB 3.35Å; V50-L109 PolarHBondContact O-N 2.92Å; L52-L109 HydrophobicContact CD1-CB 4.11Å; L52-L109 HydrophobicContact CD1-CD2 4.18Å; L52-L109 HydrophobicContact CG-CB 4.45Å; L109-H114 HydrophobicContact CD2-CB 4.39Å; L109-H114 WeakPolarHBondContact CD2-CD2 3.23Å; L109-F116 HydrophobicContact CD1-CZ 4.19Å
110Q92.9Very high87.8Confident108 Ų10875.1 Ų75.151%0.50543%0.434SS..PPolyproline II helixtrans-71.8157.2178.7-65.3-57-47.700112.1H114Q110-H114 PolarHBondContact O-CE1 2.97Å; Q110-H114 PolarHBondContact O-NE2 2.82Å
111P93.7Very high88.4Confident63 Ų6379 Ų7941%0.40945%0.449SS..SBendtrans-56.2141.2171.7-20.631000111.3P49P49-P111 HydrophobicContact CG-CG 4.1Å
112G93.6Very high89.3Confident30 Ų3075.3 Ų75.331%0.30943%0.425SS..EExtended strand (participates in β ladder)trans136.5-171.1-179.600000113.6E45 A46 H114E45-G112 WeakPolarHBondContact CA-O 3.36Å; A46-G112 PolarHBondContact N-O 2.8Å; A46-G112 PolarHBondContact O-N 2.79Å; G112-H114 PolarHBondContact O-CD2 2.57Å
113K95.4Very high90.3Very high167 Ų16771.9 Ų71.973%0.72639%0.393SS*.EExtended strand (participates in β ladder)trans-95.9130.5175.2-66.7-179.3179-177.30109.3E45E45-K113 HydrophobicContact CG-CG 4.02Å
114H94.8Very high91.3Very high45 Ų4572.8 Ų72.821%0.20839%0.386CS..EExtended strand (participates in β ladder)trans-125.6136.2-179.4-57.8-88.3000109.2L44 L109 Q110 G112 F116L44-H114 HydrophobicContact CB-CB 4.42Å; L44-H114 PolarHBondContact N-O 3.48Å; L44-H114 PolarHBondContact O-N 2.86Å; L109-H114 HydrophobicContact CD2-CB 4.39Å; L109-H114 WeakPolarHBondContact CD2-CD2 3.23Å; Q110-H114 PolarHBondContact O-CE1 2.97Å; Q110-H114 PolarHBondContact O-NE2 2.82Å; G112-H114 PolarHBondContact O-CD2 2.57Å; H114-F116 HydrophobicContact CB-CE2 3.68Å; H114-F116 HydrophobicContact CB-CZ 3.94Å
115E96Very high92.2Very high131 Ų13174.1 Ų74.161%0.61239%0.392SS*.EExtended strand (participates in β ladder)trans-122.2126.9-178.8-54.4-169.2167.700109L43L43-E115 HydrophobicContact CD2-CB 4.18Å; L43-E115 HydrophobicContact CD2-CG 3.64Å
116F96.1Very high92.7Very high22 Ų2275.8 Ų75.810%0.09639%0.393CS..EExtended strand (participates in β ladder)trans-118.4103.3-179.9-57.4-85.9000108.6V42 L44 L55 L97 R98 L109 H114V42-F116 HydrophobicContact CB-CB 4.34Å; V42-F116 PolarHBondContact N-O 2.79Å; V42-F116 PolarHBondContact O-N 3.48Å; L44-F116 HydrophobicContact CB-CE2 4.17Å; L44-F116 HydrophobicContact CD2-CE2 4.2Å; L55-F116 HydrophobicContact CD2-CB 3.93Å; L55-F116 HydrophobicContact CD2-CD1 4.03Å; L55-F116 HydrophobicContact CD2-CD2 3.27Å; L55-F116 HydrophobicContact CD2-CE1 4.38Å; L55-F116 HydrophobicContact CD2-CE2 3.68Å; L55-F116 HydrophobicContact CD2-CG 3.46Å; L55-F116 VanDerWaalsContact CD2-CG 3.46Å; L55-F116 HydrophobicContact CD2-CZ 4.22Å; L97-F116 HydrophobicContact CB-CB 4.25Å; L97-F116 HydrophobicContact CD1-CB 4.15Å; R98-F116 HydrophobicContact CB-CD1 4.38Å; R98-F116 HydrophobicContact CB-CE1 4.11Å; R98-F116 HydrophobicContact CG-CE1 4.24Å; L109-F116 HydrophobicContact CD1-CZ 4.19Å; H114-F116 HydrophobicContact CB-CE2 3.68Å; H114-F116 HydrophobicContact CB-CZ 3.94Å
117P96.6Very high93.1Very high92 Ų9272.3 Ų72.360%0.59738%0.375SS*.EExtended strand (participates in β ladder)trans-68.4145.3178.228.9-34000110.2G40G40-P117 WeakPolarHBondContact O-CA 3.33Å
118F96.1Very high93.4Very high10 Ų1071.7 Ų71.74%0.04437%0.372CS..EExtended strand (participates in β ladder)trans-134.8150.4172.768.1-98.1000110.8L22 F24 V38 A39 G40 H41 V42 L57 L97 F120L22-F118 HydrophobicContact CD2-CZ 4.35Å; L22-F118 HydrophobicContact CG-CE1 4.24Å; L22-F118 HydrophobicContact CG-CZ 4.46Å; F24-F118 HydrophobicContact CD1-CE2 4.4Å; F24-F118 AromaticContact CD1-CZ 3.99Å; F24-F118 HydrophobicContact CD1-CZ 3.99Å; F24-F118 HydrophobicContact CE1-CE2 4.44Å; F24-F118 HydrophobicContact CE1-CZ 4.11Å; V38-F118 HydrophobicContact CG1-CE2 4.4Å; A39-F118 WeakPolarHBondContact CA-O 3.29Å; G40-F118 VanDerWaalsContact C-CD1 3.47Å; G40-F118 PolarHBondContact N-O 2.87Å; G40-F118 WeakPolarHBondContact O-CD1 3.38Å; G40-F118 PolarHBondContact O-N 2.89Å; H41-F118 VanDerWaalsContact N-CE1 3.32Å; V42-F118 HydrophobicContact CG2-CD1 4.01Å; V42-F118 HydrophobicContact CG2-CE1 4.22Å; L57-F118 HydrophobicContact CD1-CD1 4.25Å; L57-F118 HydrophobicContact CD1-CE1 4.39Å; L57-F118 HydrophobicContact CD1-CG 4.48Å; L57-F118 HydrophobicContact CD2-CB 3.7Å; L57-F118 HydrophobicContact CD2-CD1 4.04Å; L57-F118 HydrophobicContact CD2-CD2 3.42Å; L57-F118 VanDerWaalsContact CD2-CD2 3.42Å; L57-F118 HydrophobicContact CD2-CE2 4Å; L57-F118 HydrophobicContact CD2-CG 3.45Å; L57-F118 VanDerWaalsContact CD2-CG 3.45Å; L97-F118 HydrophobicContact CD1-CB 4.45Å; L97-F118 HydrophobicContact CD2-CB 3.65Å; F118-F120 HydrophobicContact CD2-CD1 4.2Å; F118-F120 HydrophobicContact CD2-CE1 4.12Å; F118-F120 HydrophobicContact CE2-CE1 4.11Å
119R95.9Very high93.7Very high185 Ų18567 Ų6770%0.69835%0.347SS*.EExtended strand (participates in β ladder)trans-150.6130.8174-167.6175.2104.6141.75.2109.6T37 V38 A39T37-R119 HydrophobicContact CG2-CG 3.34Å; V38-R119 WeakPolarHBondContact O-CA 3.26Å; A39-R119 HydrophobicContact CB-CB 4.5Å; A39-R119 HydrophobicContact CB-CG 4.13Å
120F95.3Very high94Very high15 Ų1567 Ų677%0.06635%0.349CS..EExtended strand (participates in β ladder)trans-145.9156170.161.8-85.1000110.7T37 V38 L57 A59 V93 L95 F118 L122 V142T37-F120 WeakPolarHBondContact CA-O 3.31Å; V38-F120 HydrophobicContact CB-CD1 4.46Å; V38-F120 HydrophobicContact CB-CD2 4.42Å; V38-F120 HydrophobicContact CB-CE1 3.94Å; V38-F120 HydrophobicContact CB-CE2 3.89Å; V38-F120 HydrophobicContact CB-CZ 3.62Å; V38-F120 HydrophobicContact CG1-CE1 3.98Å; V38-F120 HydrophobicContact CG1-CZ 3.78Å; V38-F120 HydrophobicContact CG2-CE2 4.01Å; V38-F120 HydrophobicContact CG2-CZ 4.06Å; V38-F120 PolarHBondContact N-O 3.14Å; V38-F120 PolarHBondContact O-N 3.1Å; L57-F120 HydrophobicContact CD2-CD1 4.2Å; L57-F120 HydrophobicContact CD2-CE1 4.05Å; A59-F120 HydrophobicContact CB-CE1 4.16Å; A59-F120 HydrophobicContact CB-CE2 3.73Å; A59-F120 HydrophobicContact CB-CZ 3.49Å; A59-F120 VanDerWaalsContact CB-CZ 3.49Å; V93-F120 HydrophobicContact CG1-CB 4.12Å; V93-F120 HydrophobicContact CG1-CD2 4.29Å; V93-F120 HydrophobicContact CG1-CG 4.19Å; L95-F120 HydrophobicContact CD1-CB 4.07Å; L95-F120 HydrophobicContact CD1-CD1 4.03Å; L95-F120 HydrophobicContact CD1-CG 4.45Å; F118-F120 HydrophobicContact CD2-CD1 4.2Å; F118-F120 HydrophobicContact CD2-CE1 4.12Å; F118-F120 HydrophobicContact CE2-CE1 4.11Å; F120-L122 HydrophobicContact CE2-CD2 4.15Å; F120-V142 HydrophobicContact CE1-CG1 4.43Å; F120-V142 HydrophobicContact CE1-CG2 4.38Å; F120-V142 HydrophobicContact CZ-CG2 3.92Å
121Q95.2Very high94.1Very high117 Ų11762.3 Ų62.355%0.54733%0.327SS..EExtended strand (participates in β ladder)trans-97.6136.5176.4-162.1177.21.300109.8G35G35-Q121 VanDerWaalsContact O-CG 3.3Å; G35-Q121 WeakPolarHBondContact O-CG 3.33Å; G35-Q121 PolarHBondContact O-NE2 3.35Å
122L95Very high94.2Very high2 Ų264.3 Ų64.31%0.0134%0.338CS..PPolyproline II helixtrans-66.1147.7168.4-68.7176.3000109.6S33 G35 E36 V38 L91 F120 S124 L127 L160S33-L122 WeakPolarHBondContact O-CD1 3.46Å; G35-L122 WeakPolarHBondContact CA-O 3.33Å; G35-L122 PolarHBondContact N-O 3.07Å; E36-L122 WeakPolarHBondContact O-CB 3.38Å; E36-L122 PolarHBondContact O-N 2.95Å; V38-L122 HydrophobicContact CG2-CD1 4.18Å; V38-L122 HydrophobicContact CG2-CD2 4.23Å; V38-L122 HydrophobicContact CG2-CG 3.98Å; L91-L122 HydrophobicContact CD1-CD2 4.18Å; L91-L122 HydrophobicContact CD2-CD2 3.89Å; F120-L122 HydrophobicContact CE2-CD2 4.15Å; L122-S124 PolarHBondContact O-N 3.36Å; L122-L127 HydrophobicContact CB-CD1 4.06Å; L122-L127 HydrophobicContact CD1-CD1 4.09Å; L122-L127 HydrophobicContact CD2-CD1 4.19Å; L122-L127 HydrophobicContact CG-CD1 4.34Å; L122-L160 HydrophobicContact CD1-CD2 4.39Å; L122-L160 HydrophobicContact CD2-CD2 4.08Å
123P92.9Very high94.3Very high43 Ų4364 Ų6428%0.27933%0.334SS..PPolyproline II helixtrans-50.1141.8176.2-27.633.8000111.9G35 L91 E125 L127G35-P123 PolarHBondContact N-O 3Å; L91-P123 VanDerWaalsContact CD1-CD 3.42Å; L91-P123 HydrophobicContact CD1-CG 3.83Å; P123-E125 PolarHBondContact O-N 2.95Å; P123-L127 HydrophobicContact CB-CD2 4.46Å; P123-L127 HydrophobicContact CG-CD2 4.27Å
124S88.9Confident94.2Very high104 Ų10463.3 Ų63.373%0.72733%0.332SS*.SBendtrans-71.8-19.9173.3-53.50000112.2L122L122-S124 PolarHBondContact O-N 3.36Å
125E88.4Confident94.2Very high154 Ų15464.1 Ų64.172%0.7233%0.333SS*.SBendtrans-62.8147.1171.1-67.8-178.9-169.500110.8S34 P123 L127S34-E125 WeakPolarHBondContact CB-O 3.44Å; S34-E125 PolarHBondContact OG-O 2.85Å; P123-E125 PolarHBondContact O-N 2.95Å; E125-L127 PolarHBondContact O-N 3.43Å
126P85.9Confident94.1Very high90 Ų9058.5 Ų58.558%0.58431%0.31SS*.  trans-63.1107.1-177.924.8-32.6000111
127L93.3Very high94.1Very high4 Ų458.2 Ų58.22%0.02131%0.311CS..PPolyproline II helixtrans-67.8156.2166.8-62.4-178.9000110.2S34 L122 P123 E125 Y140 V162 S164S34-L127 PolarHBondContact OG-N 2.81Å; L122-L127 HydrophobicContact CB-CD1 4.06Å; L122-L127 HydrophobicContact CD1-CD1 4.09Å; L122-L127 HydrophobicContact CD2-CD1 4.19Å; L122-L127 HydrophobicContact CG-CD1 4.34Å; P123-L127 HydrophobicContact CB-CD2 4.46Å; P123-L127 HydrophobicContact CG-CD2 4.27Å; E125-L127 PolarHBondContact O-N 3.43Å; L127-Y140 HydrophobicContact CD1-CE1 4.32Å; L127-Y140 HydrophobicContact CD2-CE1 4.17Å; L127-V162 HydrophobicContact CB-CG1 3.79Å; L127-V162 HydrophobicContact CD1-CG1 3.91Å; L127-S164 WeakPolarHBondContact O-CB 3.28Å; L127-S164 PolarHBondContact O-OG 2.78Å
128V95Very high94.1Very high3 Ų353.9 Ų53.92%0.01828%0.283CS..PPolyproline II helixtrans-93.9144.4179.4-680000110.3Y90 S130 I138 Y140 C284Y90-V128 HydrophobicContact CD1-CG1 4.19Å; Y90-V128 HydrophobicContact CD1-CG2 4.02Å; Y90-V128 HydrophobicContact CD2-CG2 3.61Å; Y90-V128 HydrophobicContact CE1-CG1 3.63Å; Y90-V128 HydrophobicContact CE1-CG2 4.03Å; Y90-V128 HydrophobicContact CE2-CG1 4.41Å; Y90-V128 HydrophobicContact CE2-CG2 3.62Å; Y90-V128 HydrophobicContact CG-CG2 3.81Å; V128-S130 PolarHBondContact O-N 3.31Å; V128-I138 HydrophobicContact CB-CD1 4.36Å; V128-I138 HydrophobicContact CB-CG2 4.42Å; V128-I138 HydrophobicContact CG2-CD1 4.22Å; V128-I138 HydrophobicContact CG2-CG2 3.49Å; V128-I138 VanDerWaalsContact CG2-CG2 3.49Å; V128-Y140 WeakPolarHBondContact CG2-OH 3.48Å; V128-Y140 PolarHBondContact N-OH 3.45Å; V128-Y140 WeakPolarHBondContact O-CE2 3.23Å; V128-Y140 PolarHBondContact O-OH 3.26Å; V128-C284 HydrophobicContact CB-CB 4.3Å; V128-C284 HydrophobicContact CG1-CB 3.75Å
129T95.8Very high94.2Very high5 Ų557.2 Ų57.23%0.03130%0.298CS..PPolyproline II helixtrans-62.7134179.7-58.10000110.9F131 V162 S164 T278T129-F131 PolarHBondContact O-N 3.34Å; T129-V162 CarbonylContact C-O 3.5Å; T129-V162 WeakPolarHBondContact CA-O 3.02Å; T129-S164 VanDerWaalsContact OG1-CB 3.26Å; T129-S164 WeakPolarHBondContact OG1-CB 3.32Å; T129-S164 PolarHBondContact OG1-N 3.47Å; T129-T278 HydrophobicContact CG2-CG2 4.22Å
130S96.2Very high94.2Very high17 Ų1748.5 Ų48.512%0.11927%0.266CS..PPolyproline II helixtrans-59.3132.3174.8-62.10000110.2V128 I138 Y140 V162V128-S130 PolarHBondContact O-N 3.31Å; S130-I138 WeakPolarHBondContact CA-O 3.21Å; S130-Y140 WeakPolarHBondContact OG-CD2 3.35Å; S130-V162 PolarHBondContact N-O 3.35Å; S130-V162 PolarHBondContact OG-N 3.29Å; S130-V162 PolarHBondContact OG-O 3.23Å
131F96.5Very high94.2Very high10 Ų1048.4 Ų48.44%0.04427%0.267CS..EExtended strand (participates in β ladder)trans-152.5142.2-170.8175.4-106.4000110.9T129 S137 I138 Q236 Y238 T278 I281 I287 V289T129-F131 PolarHBondContact O-N 3.34Å; F131-S137 CarbonylContact O-C 3.58Å; F131-S137 WeakPolarHBondContact O-CA 3.36Å; F131-S137 WeakPolarHBondContact O-CB 3.31Å; F131-I138 HydrophobicContact CB-CB 4.3Å; F131-I138 HydrophobicContact CB-CD1 4.27Å; F131-I138 HydrophobicContact CB-CG1 4.35Å; F131-I138 PolarHBondContact N-O 2.86Å; F131-I138 PolarHBondContact O-N 2.81Å; F131-Q236 HydrophobicContact CZ-CG 4.07Å; F131-Y238 HydrophobicContact CE1-CE1 4.26Å; F131-T278 HydrophobicContact CD2-CG2 4.11Å; F131-I281 HydrophobicContact CB-CD1 3.46Å; F131-I281 VanDerWaalsContact CB-CD1 3.46Å; F131-I281 HydrophobicContact CD1-CD1 4.35Å; F131-I281 HydrophobicContact CD2-CD1 4.06Å; F131-I281 HydrophobicContact CG-CD1 3.7Å; F131-I287 HydrophobicContact CD1-CG2 3.82Å; F131-I287 HydrophobicContact CE1-CG2 3.94Å; F131-V289 HydrophobicContact CD1-CG2 4.39Å; F131-V289 HydrophobicContact CD2-CG2 4.21Å; F131-V289 HydrophobicContact CE1-CG2 4.1Å; F131-V289 HydrophobicContact CE2-CG2 3.91Å; F131-V289 HydrophobicContact CG-CG2 4.44Å; F131-V289 HydrophobicContact CZ-CG2 3.85Å
132T95.9Very high94.3Very high104 Ų10442.9 Ų42.964%0.63824%0.241SC*.EExtended strand (participates in β ladder)trans-130.7123.9172-63.50000108.6
133G94.3Very high94.4Very high23 Ų2346.2 Ų46.224%0.23725%0.253CS..  trans-135.9-175177.100000111.9Y135 G136 Y238G133-Y135 PolarHBondContact O-N 3.12Å; G133-G136 CarbonylContact C-O 3.56Å; G133-G136 PolarHBondContact N-O 3.43Å; G133-Y238 VanDerWaalsContact CA-OH 3.27Å; G133-Y238 WeakPolarHBondContact CA-OH 3.29Å
134K94.1Very high94.6Very high154 Ų15444.2 Ų44.267%0.6724%0.24SC*.SBendtrans-67.7-36.3-169.3-174.1-176.8-177.6-1750113.9Y238 I247K134-Y238 PolarHBondContact N-OH 2.96Å; K134-I247 HydrophobicContact CB-CD1 3.52Å; K134-I247 HydrophobicContact CD-CD1 3.61Å; K134-I247 HydrophobicContact CG-CD1 4.13Å
135Y93.8Very high95Very high62 Ų6239.3 Ų39.324%0.24321%0.206CC..SBendtrans-116.310.5-173.4-61.2-54.4000112.8A65 A66 W67 G133 Y238 K245 I247A65-Y135 CarbonylContact C-O 3.54Å; A65-Y135 WeakPolarHBondContact CA-O 3.33Å; A66-Y135 PolarHBondContact N-O 2.94Å; W67-Y135 HydrophobicContact CB-CD1 3.77Å; W67-Y135 HydrophobicContact CB-CE1 4.27Å; W67-Y135 HydrophobicContact CB-CG 4.43Å; G133-Y135 PolarHBondContact O-N 3.12Å; Y135-Y238 HydrophobicContact CD2-CD2 4.06Å; Y135-Y238 HydrophobicContact CD2-CE2 4.21Å; Y135-K245 HydrophobicContact CD2-CB 4.08Å; Y135-K245 HydrophobicContact CE2-CB 4.41Å; Y135-I247 HydrophobicContact CD2-CD1 3.56Å; Y135-I247 HydrophobicContact CD2-CG1 3.96Å; Y135-I247 HydrophobicContact CE2-CD1 3.42Å; Y135-I247 VanDerWaalsContact CE2-CD1 3.42Å; Y135-I247 HydrophobicContact CE2-CG1 3.68Å
136G94.8Very high95.3Very high12 Ų1232 Ų3212%0.12417%0.172CC..EExtended strand (participates in β ladder)trans176.9164.8-178.700000113.5T64 G133T64-G136 CarbonylContact O-C 3.58Å; T64-G136 WeakPolarHBondContact O-CA 3.45Å; G133-G136 CarbonylContact C-O 3.56Å; G133-G136 PolarHBondContact N-O 3.43Å
137S96.6Very high95.6Very high16 Ų1628.9 Ų28.911%0.11215%0.149CC..EExtended strand (participates in β ladder)trans-147.6150.9-179.559.30000111.4A63 T64 F131A63-S137 CarbonylContact C-O 3.56Å; A63-S137 WeakPolarHBondContact CA-O 3.36Å; T64-S137 PolarHBondContact N-O 2.85Å; T64-S137 PolarHBondContact O-N 2.84Å; T64-S137 PolarHBondContact OG1-O 2.89Å; T64-S137 PolarHBondContact OG1-OG 2.77Å; F131-S137 CarbonylContact O-C 3.58Å; F131-S137 WeakPolarHBondContact O-CA 3.36Å; F131-S137 WeakPolarHBondContact O-CB 3.31Å
138I97.4Very high95.5Very high2 Ų230 Ų301%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-113.5111169.9-55.7177.2000105.8R62 A63 V128 S130 F131 Y140 I281 C284 I287R62-I138 WeakPolarHBondContact O-CA 3.39Å; A63-I138 HydrophobicContact CB-CG1 3.92Å; V128-I138 HydrophobicContact CB-CD1 4.36Å; V128-I138 HydrophobicContact CB-CG2 4.42Å; V128-I138 HydrophobicContact CG2-CD1 4.22Å; V128-I138 HydrophobicContact CG2-CG2 3.49Å; V128-I138 VanDerWaalsContact CG2-CG2 3.49Å; S130-I138 WeakPolarHBondContact CA-O 3.21Å; F131-I138 HydrophobicContact CB-CB 4.3Å; F131-I138 HydrophobicContact CB-CD1 4.27Å; F131-I138 HydrophobicContact CB-CG1 4.35Å; F131-I138 PolarHBondContact N-O 2.86Å; F131-I138 PolarHBondContact O-N 2.81Å; I138-Y140 HydrophobicContact CG2-CE2 3.82Å; I138-I281 HydrophobicContact CD1-CD1 4.19Å; I138-I281 HydrophobicContact CD1-CG2 4.11Å; I138-C284 HydrophobicContact CD1-CB 4.27Å; I138-I287 HydrophobicContact CD1-CB 4.32Å; I138-I287 HydrophobicContact CD1-CG2 4.43Å; I138-I287 HydrophobicContact CG1-CD1 3.87Å
139Q96.5Very high95.2Very high79 Ų7931.4 Ų31.437%0.36916%0.162SC..EExtended strand (participates in β ladder)trans-129.9136.4-173.6-65.1-177-2.200110.6G61 R62G61-Q139 WeakPolarHBondContact CA-O 3.47Å; R62-Q139 PolarHBondContact N-O 2.84Å; R62-Q139 PolarHBondContact O-N 2.76Å
140Y96.6Very high94.8Very high3 Ų340.3 Ų40.31%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-115.9139171.1-62.3-101.5000109.1Q60 L91 L127 V128 S130 I138 E159 L160 V162Q60-Y140 CarbonylContact O-C 3.58Å; Q60-Y140 WeakPolarHBondContact O-CA 3.4Å; L91-Y140 HydrophobicContact CB-CD1 4.15Å; L91-Y140 HydrophobicContact CB-CE1 4.08Å; L91-Y140 HydrophobicContact CD2-CD1 4Å; L127-Y140 HydrophobicContact CD1-CE1 4.32Å; L127-Y140 HydrophobicContact CD2-CE1 4.17Å; V128-Y140 WeakPolarHBondContact CG2-OH 3.48Å; V128-Y140 PolarHBondContact N-OH 3.45Å; V128-Y140 WeakPolarHBondContact O-CE2 3.23Å; V128-Y140 PolarHBondContact O-OH 3.26Å; S130-Y140 WeakPolarHBondContact OG-CD2 3.35Å; I138-Y140 HydrophobicContact CG2-CE2 3.82Å; Y140-E159 WeakPolarHBondContact O-CA 3.45Å; Y140-L160 WeakPolarHBondContact CB-O 3.48Å; Y140-L160 PolarHBondContact O-N 3.38Å; Y140-V162 HydrophobicContact CD1-CG2 3.92Å; Y140-V162 HydrophobicContact CD2-CB 3.74Å; Y140-V162 HydrophobicContact CD2-CG2 3.64Å; Y140-V162 HydrophobicContact CE1-CG2 4.34Å; Y140-V162 HydrophobicContact CE2-CB 3.81Å; Y140-V162 HydrophobicContact CE2-CG1 4.23Å; Y140-V162 HydrophobicContact CE2-CG2 4.09Å; Y140-V162 HydrophobicContact CG-CB 4.19Å; Y140-V162 HydrophobicContact CG-CG2 3.56Å
141C95.6Very high94.3Very high13 Ų1341.3 Ų41.39%0.08821%0.206CC..EExtended strand (participates in β ladder)trans-148.2149.1-178.663.40000112.4A59 Q60 K157 R158A59-C141 CarbonylContact C-O 3.52Å; A59-C141 VanDerWaalsContact CA-O 3.32Å; A59-C141 WeakPolarHBondContact CA-O 3.23Å; Q60-C141 PolarHBondContact N-O 2.77Å; Q60-C141 PolarHBondContact O-N 2.81Å; C141-K157 HydrophobicContact CB-CD 4.11Å; C141-K157 HydrophobicContact CB-CG 3.92Å; C141-K157 WeakPolarHBondContact SG-CE 3.19Å; C141-R158 CarbonylContact C-O 3.53Å; C141-R158 WeakPolarHBondContact CA-O 3.27Å; C141-R158 WeakPolarHBondContact CB-O 3.48Å
142V96.6Very high94Very high0 Ų046 Ų460%024%0.237CC..EExtended strand (participates in β ladder)trans-113126.1170.3-170.70000107.8L22 F24 L57 E58 A59 F120 K157 R158L22-V142 HydrophobicContact CD1-CB 4.35Å; L22-V142 HydrophobicContact CD1-CG1 3.87Å; F24-V142 HydrophobicContact CE1-CB 4.14Å; F24-V142 HydrophobicContact CE1-CG2 3.84Å; F24-V142 HydrophobicContact CZ-CB 4.08Å; F24-V142 HydrophobicContact CZ-CG2 3.85Å; L57-V142 HydrophobicContact CD1-CG1 3.65Å; L57-V142 HydrophobicContact CD2-CG1 3.91Å; L57-V142 HydrophobicContact CG-CG1 3.73Å; E58-V142 CarbonylContact O-C 3.52Å; E58-V142 WeakPolarHBondContact O-CA 3.45Å; A59-V142 HydrophobicContact CB-CG2 4.13Å; F120-V142 HydrophobicContact CE1-CG1 4.43Å; F120-V142 HydrophobicContact CE1-CG2 4.38Å; F120-V142 HydrophobicContact CZ-CG2 3.92Å; V142-K157 CarbonylContact O-C 3.55Å; V142-K157 WeakPolarHBondContact O-CA 3.49Å; V142-R158 PolarHBondContact N-O 3.21Å; V142-R158 PolarHBondContact O-N 3.34Å
143R97.2Very high93.8Very high73 Ų7345.3 Ų45.328%0.27523%0.23SC..EExtended strand (participates in β ladder)trans-121.4122.1-177.6175.4175.2152-117-4.8109.3L57 E58 V145 S155 V156L57-R143 CarbonylContact C-O 3.57Å; L57-R143 WeakPolarHBondContact CA-O 3.46Å; E58-R143 PolarHBondContact N-O 2.77Å; E58-R143 PolarHBondContact O-N 3.31Å; E58-R143 IonicContact OE1-NH1 2.81Å; E58-R143 IonicContact OE2-CZ 3.51Å; E58-R143 IonicContact OE2-NH1 3.05Å; E58-R143 PolarHBondContact OE2-NH1 3.38Å; R143-V145 HydrophobicContact CG-CG2 3.89Å; R143-S155 PolarHBondContact NE-OG 2.7Å; R143-V156 CarbonylContact C-O 3.52Å; R143-V156 VanDerWaalsContact CA-O 3.25Å; R143-V156 WeakPolarHBondContact CA-O 3.49Å
144A97.3Very high93.8Very high0 Ų047.4 Ų47.40%023%0.233CC..EExtended strand (participates in β ladder)trans-91.9131.4167.200000109.3L22 V42 R56 L57 S155 V156L22-A144 HydrophobicContact CD1-CB 3.98Å; V42-A144 HydrophobicContact CG1-CB 3.89Å; V42-A144 HydrophobicContact CG2-CB 3.75Å; R56-A144 CarbonylContact O-C 3.53Å; R56-A144 WeakPolarHBondContact O-CA 3.22Å; L57-A144 HydrophobicContact CD1-CB 4.08Å; A144-S155 CarbonylContact O-C 3.58Å; A144-S155 WeakPolarHBondContact O-CA 3.48Å; A144-S155 WeakPolarHBondContact O-CB 3.2Å; A144-V156 HydrophobicContact CB-CG1 3.93Å; A144-V156 PolarHBondContact N-O 3.27Å; A144-V156 PolarHBondContact O-N 3.1Å
145V96.6Very high93.8Very high2 Ų243.2 Ų43.21%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-120.5117.5-177.3-170.90000108.9R56 R143 E147 D153R56-V145 PolarHBondContact N-O 3.41Å; R56-V145 PolarHBondContact O-N 2.81Å; R143-V145 HydrophobicContact CG-CG2 3.89Å; V145-E147 HydrophobicContact CG1-CG 4.22Å; V145-D153 HydrophobicContact CG1-CB 3.98Å
146L95.2Very high94Very high0 Ų041.8 Ų41.80%022%0.221CC..EExtended strand (participates in β ladder)trans-98.6104.4175.6-171.874.8000108.9V17 L20 L44 L52 L55 R148 Q154V17-L146 HydrophobicContact CG1-CD2 4.49Å; V17-L146 HydrophobicContact CG2-CD2 3.84Å; L20-L146 HydrophobicContact CD2-CB 4.19Å; L44-L146 HydrophobicContact CD1-CD2 3.83Å; L44-L146 HydrophobicContact CD2-CD1 3.94Å; L44-L146 HydrophobicContact CD2-CD2 4.49Å; L52-L146 HydrophobicContact CD1-CD1 4.03Å; L52-L146 HydrophobicContact CD2-CD1 3.45Å; L52-L146 VanDerWaalsContact CD2-CD1 3.45Å; L52-L146 HydrophobicContact CD2-CD2 4.16Å; L52-L146 HydrophobicContact CD2-CG 3.83Å; L52-L146 HydrophobicContact CG-CD1 4.35Å; L55-L146 HydrophobicContact CD1-CB 4.38Å; L55-L146 HydrophobicContact CD1-CD1 3.9Å; L146-R148 HydrophobicContact CD2-CG 4.43Å; L146-R148 HydrophobicContact CG-CG 4.3Å; L146-Q154 HydrophobicContact CB-CB 4.37Å; L146-Q154 PolarHBondContact N-O 2.72Å; L146-Q154 PolarHBondContact O-N 3.43Å; L146-Q154 VanDerWaalsContact O-N 3.09Å
147E93.4Very high94Very high25 Ų2546.4 Ų46.412%0.11724%0.238CC..EExtended strand (participates in β ladder)trans-89.1123.3179.1-60.6-177-177.200109.5R53 A54 R56 V145R53-E147 HydrophobicContact CB-CB 4.13Å; R53-E147 PolarHBondContact N-O 3.38Å; A54-E147 HydrophobicContact CB-CB 4.43Å; A54-E147 PolarHBondContact O-N 2.84Å; R56-E147 WeakPolarHBondContact CD-OE1 3.32Å; R56-E147 IonicContact CZ-OE1 2.84Å; R56-E147 IonicContact CZ-OE2 3.98Å; R56-E147 IonicContact NE-OE1 3.97Å; R56-E147 PolarHBondContact NE-OE1 3.22Å; R56-E147 IonicContact NE-OE2 3.57Å; R56-E147 IonicContact NH1-OE1 2.58Å; R56-E147 PolarHBondContact NH1-OE1 3.49Å; R56-E147 IonicContact NH1-OE2 3.73Å; R56-E147 IonicContact NH2-OE1 3.61Å; R56-E147 IonicContact NH2-OE2 3.5Å; R56-E147 PolarHBondContact NH2-OE2 3.24Å; V145-E147 HydrophobicContact CG1-CG 4.22Å
148R90.6Very high93.9Very high28 Ų2851.7 Ų51.711%0.10626%0.255CS..EExtended strand (participates in β ladder)trans-121.3149.2-179.2-67.5-167.7-67.4153.72.2111.4G15 V50 L52 L146 V151 Q154G15-R148 PolarHBondContact O-NH1 3.16Å; G15-R148 VanDerWaalsContact O-NH1 3.11Å; V50-R148 HydrophobicContact CG1-CG 4.48Å; L52-R148 HydrophobicContact CD2-CG 3.81Å; L146-R148 HydrophobicContact CD2-CG 4.43Å; L146-R148 HydrophobicContact CG-CG 4.3Å; R148-V151 HydrophobicContact CB-CB 4.27Å; R148-Q154 VanDerWaalsContact NH2-CD 3.31Å
149P88.8Confident93.8Very high31 Ų3157.6 Ų57.620%0.20128%0.283CS..THydrogen-bonded Turntrans-66.5136.9174.6-9.523.6000110A51 R53 I106 V151A51-P149 HydrophobicContact CB-CG 3.93Å; A51-P149 WeakPolarHBondContact O-CD 3.37Å; R53-P149 HydrophobicContact CG-CG 4.11Å; I106-P149 HydrophobicContact CD1-CB 4.22Å; I106-P149 HydrophobicContact CD1-CG 3.73Å; I106-P149 HydrophobicContact CG1-CG 4.07Å; I106-P149 HydrophobicContact CG2-CG 4.17Å; P149-V151 PolarHBondContact O-N 2.9Å
150K86.2Confident93.6Very high193 Ų19354 Ų5484%0.83927%0.266SS*.THydrogen-bonded Turntrans62.30.6172.8-51178-176.9173.80116.1
151V87.4Confident93.5Very high37 Ų3758.4 Ų58.422%0.22429%0.287CS..EExtended strand (participates in β ladder)trans-123.3141.5179.6-173.60000108.6R148 P149R148-V151 HydrophobicContact CB-CB 4.27Å; P149-V151 PolarHBondContact O-N 2.9Å
152P89.9Confident93.5Very high108 Ų10857.8 Ų57.870%0.70128%0.282SS*.EExtended strand (participates in β ladder)trans-59147.5175.424.1-35.6000112.1Q154P152-Q154 PolarHBondContact O-N 3.48Å
153D91.9Very high93.3Very high90 Ų9059.2 Ų59.248%0.48129%0.291SS..EExtended strand (participates in β ladder)trans-59.3133-179.6-58.5-21.9000110.7V145V145-D153 HydrophobicContact CG1-CB 3.98Å
154Q93.1Very high93.1Very high68 Ų6856.5 Ų56.532%0.31828%0.283SS..EExtended strand (participates in β ladder)trans-95139.9171.7-67.6-176.8-20.500108.4L146 R148 P152L146-Q154 HydrophobicContact CB-CB 4.37Å; L146-Q154 PolarHBondContact N-O 2.72Å; L146-Q154 PolarHBondContact O-N 3.43Å; L146-Q154 VanDerWaalsContact O-N 3.09Å; R148-Q154 VanDerWaalsContact NH2-CD 3.31Å; P152-Q154 PolarHBondContact O-N 3.48Å
155S94.9Very high92.8Very high66 Ų6661.8 Ų61.846%0.46231%0.308SS..EExtended strand (participates in β ladder)trans-143150.2174.864.40000112.8R143 A144R143-S155 PolarHBondContact NE-OG 2.7Å; A144-S155 CarbonylContact O-C 3.58Å; A144-S155 WeakPolarHBondContact O-CA 3.48Å; A144-S155 WeakPolarHBondContact O-CB 3.2Å
156V96.8Very high92.6Very high32 Ų3262.7 Ų62.719%0.19431%0.313CS..EExtended strand (participates in β ladder)trans-122.7138.7172.762.20000107.9L20 L22 R143 A144L20-V156 HydrophobicContact CD2-CB 4.35Å; L20-V156 HydrophobicContact CD2-CG1 3.99Å; L20-V156 HydrophobicContact CG-CB 4.34Å; L20-V156 HydrophobicContact CG-CG1 3.79Å; L22-V156 HydrophobicContact CB-CG1 3.85Å; R143-V156 CarbonylContact C-O 3.52Å; R143-V156 VanDerWaalsContact CA-O 3.25Å; R143-V156 WeakPolarHBondContact CA-O 3.49Å; A144-V156 HydrophobicContact CB-CG1 3.93Å; A144-V156 PolarHBondContact N-O 3.27Å; A144-V156 PolarHBondContact O-N 3.1Å
157K95.6Very high92.4Very high108 Ų10865.7 Ų65.747%0.4733%0.329SS..EExtended strand (participates in β ladder)trans-122.5138.4-176.9-176.4-173.1178.1-174.40109.5C141 V142C141-K157 HydrophobicContact CB-CD 4.11Å; C141-K157 HydrophobicContact CB-CG 3.92Å; C141-K157 WeakPolarHBondContact SG-CE 3.19Å; V142-K157 CarbonylContact O-C 3.55Å; V142-K157 WeakPolarHBondContact O-CA 3.49Å
158R94.8Very high92.4Very high128 Ų12864.5 Ų64.548%0.48332%0.324SS..EExtended strand (participates in β ladder)trans-124.3144.3165.7-68.6-65.9-162.6161.22.6110L22 F24 C141 V142L22-R158 HydrophobicContact CB-CG 4.2Å; L22-R158 HydrophobicContact CD2-CB 3.76Å; L22-R158 HydrophobicContact CD2-CG 3.5Å; L22-R158 HydrophobicContact CG-CG 4.42Å; L22-R158 PolarHBondContact O-NE 3.49Å; F24-R158 HydrophobicContact CE2-CB 3.77Å; F24-R158 HydrophobicContact CZ-CB 3.9Å; C141-R158 CarbonylContact C-O 3.53Å; C141-R158 WeakPolarHBondContact CA-O 3.27Å; C141-R158 WeakPolarHBondContact CB-O 3.48Å; V142-R158 PolarHBondContact N-O 3.21Å; V142-R158 PolarHBondContact O-N 3.34Å
159E94.3Very high92.5Very high125 Ų12564.8 Ų64.858%0.58433%0.327SS*.EExtended strand (participates in β ladder)trans-81.2144.1174.2-64.8-177.1174.300110.2Y140Y140-E159 WeakPolarHBondContact O-CA 3.45Å
160L93Very high92.7Very high4 Ų466.3 Ų66.32%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-113.3120.4174.7-171.475.7000107.1F24 Y32 V38 L122 Y140 V162F24-L160 HydrophobicContact CZ-CD1 4.27Å; Y32-L160 HydrophobicContact CD1-CD1 4.44Å; Y32-L160 HydrophobicContact CD2-CD1 3.27Å; Y32-L160 HydrophobicContact CD2-CG 3.91Å; Y32-L160 HydrophobicContact CE1-CD1 4.48Å; Y32-L160 HydrophobicContact CE2-CD1 3.36Å; Y32-L160 HydrophobicContact CE2-CG 4.45Å; Y32-L160 HydrophobicContact CG-CD1 3.87Å; Y32-L160 HydrophobicContact CG-CG 4.33Å; V38-L160 HydrophobicContact CG1-CD1 4.21Å; V38-L160 HydrophobicContact CG2-CD1 4.18Å; V38-L160 HydrophobicContact CG2-CD2 4.05Å; L122-L160 HydrophobicContact CD1-CD2 4.39Å; L122-L160 HydrophobicContact CD2-CD2 4.08Å; Y140-L160 WeakPolarHBondContact CB-O 3.48Å; Y140-L160 PolarHBondContact O-N 3.38Å; L160-V162 HydrophobicContact CD2-CG2 3.98Å; L160-V162 HydrophobicContact CG-CG2 4.2Å; L160-V162 PolarHBondContact O-N 2.68Å
161Q94.2Very high92.9Very high95 Ų9562 Ų6244%0.44433%0.328SS..  trans-82.6115.8174.9-69.1-62.1-31.200108.8G30 C31 Y32G30-Q161 WeakPolarHBondContact O-CB 3.45Å; C31-Q161 CarbonylContact C-O 3.56Å; C31-Q161 VanDerWaalsContact CA-O 3.31Å; C31-Q161 WeakPolarHBondContact CA-O 3.41Å; C31-Q161 HydrophobicContact CB-CB 4.44Å; Y32-Q161 PolarHBondContact N-O 3.49Å
162V95.1Very high93Very high0 Ų063.4 Ų63.40%034%0.343CS..BIsolated β-bridgetrans-109.5133.8178.3178.30000110Y32 L127 T129 S130 Y140 L160Y32-V162 CarbonylContact O-C 3.52Å; Y32-V162 VanDerWaalsContact O-CA 3.23Å; Y32-V162 WeakPolarHBondContact O-CA 3.43Å; L127-V162 HydrophobicContact CB-CG1 3.79Å; L127-V162 HydrophobicContact CD1-CG1 3.91Å; T129-V162 CarbonylContact C-O 3.5Å; T129-V162 WeakPolarHBondContact CA-O 3.02Å; S130-V162 PolarHBondContact N-O 3.35Å; S130-V162 PolarHBondContact OG-N 3.29Å; S130-V162 PolarHBondContact OG-O 3.23Å; Y140-V162 HydrophobicContact CD1-CG2 3.92Å; Y140-V162 HydrophobicContact CD2-CB 3.74Å; Y140-V162 HydrophobicContact CD2-CG2 3.64Å; Y140-V162 HydrophobicContact CE1-CG2 4.34Å; Y140-V162 HydrophobicContact CE2-CB 3.81Å; Y140-V162 HydrophobicContact CE2-CG1 4.23Å; Y140-V162 HydrophobicContact CE2-CG2 4.09Å; Y140-V162 HydrophobicContact CG-CB 4.19Å; Y140-V162 HydrophobicContact CG-CG2 3.56Å; L160-V162 HydrophobicContact CD2-CG2 3.98Å; L160-V162 HydrophobicContact CG-CG2 4.2Å; L160-V162 PolarHBondContact O-N 2.68Å
163V93.8Very high93.2Very high31 Ų3159.2 Ų59.219%0.18832%0.315CS..  trans-122123.2176.4176.40000109.2C31 Y32 S33 T315C31-V163 HydrophobicContact CB-CB 4.5Å; C31-V163 HydrophobicContact CB-CG2 3.78Å; Y32-V163 PolarHBondContact O-N 3.44Å; S33-V163 PolarHBondContact OG-O 3Å; V163-T315 HydrophobicContact CG1-CG2 3.76Å
164S92.9Very high93.3Very high15 Ų1557.8 Ų57.811%0.10531%0.307CS..  trans-82128.1168.8-159.90000109.2L127 T129L127-S164 WeakPolarHBondContact O-CB 3.28Å; L127-S164 PolarHBondContact O-OG 2.78Å; T129-S164 VanDerWaalsContact OG1-CB 3.26Å; T129-S164 WeakPolarHBondContact OG1-CB 3.32Å; T129-S164 PolarHBondContact OG1-N 3.47Å
165H90.8Very high93.2Very high112 Ų11258.1 Ų58.152%0.51931%0.314SS..  trans-80.7124.5-179-70.6-57.4000111.3S33 T315 I316S33-H165 PolarHBondContact OG-CD2 2.85Å; S33-H165 PolarHBondContact OG-NE2 3.49Å; H165-T315 VanDerWaalsContact CA-OG1 3.29Å; H165-T315 WeakPolarHBondContact CA-OG1 3.19Å; H165-T315 PolarHBondContact ND1-OG1 2.84Å; H165-I316 HydrophobicContact CB-CD1 4.2Å
166V91.9Very high93.2Very high20 Ų2058.9 Ų58.912%0.12132%0.317CS..  trans-114114.3174.61770000108.1V312 G314 T315 I316V166-V312 HydrophobicContact CG1-CG1 3.81Å; V166-G314 WeakPolarHBondContact O-CA 3.48Å; V166-T315 PolarHBondContact N-OG1 2.91Å; V166-T315 VanDerWaalsContact N-OG1 3.1Å; V166-T315 PolarHBondContact O-N 2.75Å; V166-I316 PolarHBondContact O-N 2.72Å
167D92.1Very high93.1Very high63 Ų6358.4 Ų58.434%0.33731%0.314SS..BIsolated β-bridgetrans-85.7109.7179.1-170.30.7000111.7N169 T170 I316D167-N169 PolarHBondContact O-N 3.45Å; D167-N169 VanDerWaalsContact OD1-CB 3.23Å; D167-N169 WeakPolarHBondContact OD1-CB 3.41Å; D167-N169 PolarHBondContact OD1-N 3.21Å; D167-N169 PolarHBondContact OD1-ND2 2.95Å; D167-T170 PolarHBondContact O-N 2.81Å; D167-T170 PolarHBondContact O-OG1 3.04Å; D167-I316 HydrophobicContact CB-CD1 4.02Å
168V93.1Very high93.2Very high0 Ų058.3 Ų58.30%032%0.319CS..THydrogen-bonded Turntrans-71.4-12.1178.4-530000113.1T170 L174 I316V168-T170 PolarHBondContact O-N 2.79Å; V168-L174 WeakPolarHBondContact O-CD2 3.26Å; V168-I316 WeakPolarHBondContact CG2-O 3.09Å
169N93.1Very high93.3Very high34 Ų3456.5 Ų56.518%0.18231%0.314CS..THydrogen-bonded Turntrans-79.1-4.7177.3-57.1-73.4000112.9D167 L174 P317 Y318 N319D167-N169 PolarHBondContact O-N 3.45Å; D167-N169 VanDerWaalsContact OD1-CB 3.23Å; D167-N169 WeakPolarHBondContact OD1-CB 3.41Å; D167-N169 PolarHBondContact OD1-N 3.21Å; D167-N169 PolarHBondContact OD1-ND2 2.95Å; N169-L174 WeakPolarHBondContact O-CD1 3.24Å; N169-P317 PolarHBondContact ND2-O 3.49Å; N169-Y318 WeakPolarHBondContact OD1-CA 3.23Å; N169-Y318 VanDerWaalsContact OD1-CD2 3.23Å; N169-Y318 WeakPolarHBondContact OD1-CD2 3.24Å; N169-N319 PolarHBondContact OD1-N 2.99Å
170T91.3Very high93.5Very high63 Ų6355 Ų5539%0.38731%0.314SS..SBendtrans-58.4133.4175.2-52.80000110.4D167 V168 A172 L173 L174D167-T170 PolarHBondContact O-N 2.81Å; D167-T170 PolarHBondContact O-OG1 3.04Å; V168-T170 PolarHBondContact O-N 2.79Å; T170-A172 PolarHBondContact O-N 3.21Å; T170-L173 WeakPolarHBondContact O-CA 3.45Å; T170-L173 PolarHBondContact O-N 3.1Å; T170-L174 PolarHBondContact O-N 3.25Å
171P90.6Very high93.6Very high102 Ų10259 Ų5966%0.66233%0.332SS*.Hα-helixtrans-51.7-37.8-174.7-30.435000114.8L173 L174P171-L173 PolarHBondContact O-N 3.27Å; P171-L174 PolarHBondContact O-N 2.91Å
172A90.5Very high93.7Very high67 Ų6760.3 Ų60.355%0.55434%0.338SS*.Hα-helixtrans-61-30.117700000113.5T170 T175T170-A172 PolarHBondContact O-N 3.21Å; A172-T175 PolarHBondContact O-OG1 3.29Å
173L93.3Very high93.6Very high20 Ų2062.9 Ų62.911%0.10535%0.35CS..Hα-helixtrans-90.1-15.5-179.3-60.9-176.5000113.2T170 P171 T175 R203 K204 G205 V312T170-L173 WeakPolarHBondContact O-CA 3.45Å; T170-L173 PolarHBondContact O-N 3.1Å; P171-L173 PolarHBondContact O-N 3.27Å; L173-T175 VanDerWaalsContact C-N 3.34Å; L173-R203 WeakPolarHBondContact O-CB 3.27Å; L173-K204 HydrophobicContact CD2-CB 4.49Å; L173-K204 HydrophobicContact CD2-CD 4.01Å; L173-K204 HydrophobicContact CD2-CG 4.06Å; L173-K204 PolarHBondContact O-N 2.9Å; L173-G205 PolarHBondContact O-N 2.94Å; L173-V312 HydrophobicContact CD1-CB 4.34Å; L173-V312 HydrophobicContact CD1-CG1 4.03Å; L173-V312 HydrophobicContact CD2-CB 3.93Å; L173-V312 HydrophobicContact CD2-CG1 4.38Å; L173-V312 HydrophobicContact CD2-CG2 3.73Å
174L93.7Very high93.4Very high60 Ų6067.4 Ų67.431%0.31437%0.37SS..Hα-helixtrans-84.9-9176-62-176.4000113.5V168 N169 T170 P171 Y318V168-L174 WeakPolarHBondContact O-CD2 3.26Å; N169-L174 WeakPolarHBondContact O-CD1 3.24Å; T170-L174 PolarHBondContact O-N 3.25Å; P171-L174 PolarHBondContact O-N 2.91Å; L174-Y318 HydrophobicContact CD1-CE2 4.36Å; L174-Y318 HydrophobicContact CD2-CD2 3.6Å; L174-Y318 HydrophobicContact CD2-CE2 3.31Å; L174-Y318 HydrophobicContact CG-CE2 4.47Å
175T91.7Very high93Very high75 Ų7566.8 Ų66.846%0.4637%0.366SS..SBendtrans-69.4134179.856.10000111.8A172 L173A172-T175 PolarHBondContact O-OG1 3.29Å; L173-T175 VanDerWaalsContact C-N 3.34Å
176P94.4Very high92.3Very high82 Ų8263.7 Ų63.753%0.53236%0.364SS..  trans-68.5145.6174.827.7-33.9000110.5I201 E202P176-I201 CarbonylContact C-O 3.37Å; P176-I201 VanDerWaalsContact CA-O 3.3Å; P176-I201 WeakPolarHBondContact CA-O 3.39Å; P176-I201 WeakPolarHBondContact CB-O 3.44Å; P176-E202 WeakPolarHBondContact CA-O 3.44Å; P176-E202 WeakPolarHBondContact CB-O 3.32Å
177V95.9Very high91.1Very high22 Ų2266.9 Ų66.913%0.13339%0.387CS..EExtended strand (participates in β ladder)trans-116.2121178.1-1700000108.3K200 I201 K204 L309 P310V177-K200 CarbonylContact O-C 3.45Å; V177-K200 VanDerWaalsContact O-CA 3.23Å; V177-K200 WeakPolarHBondContact O-CA 3.31Å; V177-I201 HydrophobicContact CB-CD1 4.24Å; V177-I201 HydrophobicContact CB-CG1 3.82Å; V177-I201 HydrophobicContact CG2-CD1 4.32Å; V177-I201 HydrophobicContact CG2-CG1 4.23Å; V177-I201 PolarHBondContact N-O 2.81Å; V177-I201 PolarHBondContact O-N 3.47Å; V177-K204 HydrophobicContact CG2-CB 4.35Å; V177-L309 HydrophobicContact CB-CD2 4.11Å; V177-L309 HydrophobicContact CG1-CB 4.31Å; V177-L309 HydrophobicContact CG1-CD2 3.45Å; V177-L309 VanDerWaalsContact CG1-CD2 3.45Å; V177-L309 HydrophobicContact CG1-CG 4.49Å; V177-P310 HydrophobicContact CG1-CG 4.48Å
178L96.9Very high89.5Confident107 Ų10774.9 Ų74.956%0.5641%0.412SS*.EExtended strand (participates in β ladder)trans-120.8133.5174.4172.269.4000108.9S198 A199 K200L178-S198 WeakPolarHBondContact CD1-OG 3.11Å; L178-A199 WeakPolarHBondContact CA-O 3.36Å; L178-K200 HydrophobicContact CB-CB 4.48Å; L178-K200 HydrophobicContact CB-CG 4.46Å; L178-K200 HydrophobicContact CD1-CB 3.82Å
179K97.7Very high88Confident89 Ų8982.8 Ų82.839%0.38745%0.447SS..EExtended strand (participates in β ladder)trans-134.7146168.1-70.4-173.3177.2-175.20109.7S198 A199 L307 E308 L309K179-S198 WeakPolarHBondContact O-CA 3.41Å; K179-A199 PolarHBondContact N-O 3.31Å; K179-A199 PolarHBondContact O-N 2.92Å; K179-L307 HydrophobicContact CB-CD1 4.09Å; K179-L307 HydrophobicContact CB-CD2 3.94Å; K179-L307 HydrophobicContact CB-CG 4.48Å; K179-L307 VanDerWaalsContact O-CD1 3.23Å; K179-L307 WeakPolarHBondContact O-CD1 3.24Å; K179-E308 WeakPolarHBondContact CD-O 3.28Å; K179-E308 WeakPolarHBondContact CE-O 3.47Å; K179-E308 PolarHBondContact NZ-O 2.94Å; K179-L309 HydrophobicContact CB-CD2 3.98Å; K179-L309 HydrophobicContact CD-CD2 4.08Å; K179-L309 HydrophobicContact CG-CD2 3.79Å
180T97.3Very high86.7Confident95 Ų9588.9 Ų88.958%0.58347%0.472SS*.EExtended strand (participates in β ladder)trans-131.5139.5175.2-56.10000109L197 S198T180-L197 CarbonylContact C-O 3.5Å; T180-L197 WeakPolarHBondContact CA-O 2.92Å; T180-S198 PolarHBondContact OG1-OG 2.95Å
181Q96.4Very high85.4Confident87 Ų8792.8 Ų92.841%0.40750%0.496SS..EExtended strand (participates in β ladder)trans-148.5144174.5-170.4176.339.600110.1L197 L305 M306 L307Q181-L197 PolarHBondContact N-O 3.33Å; Q181-L197 PolarHBondContact O-N 2.98Å; Q181-L305 HydrophobicContact CB-CD1 4.02Å; Q181-L305 HydrophobicContact CG-CD1 3.61Å; Q181-L305 VanDerWaalsContact OE1-CD1 3.24Å; Q181-M306 PolarHBondContact OE1-O 2.67Å; Q181-L307 HydrophobicContact CB-CD2 3.47Å; Q181-L307 VanDerWaalsContact CB-CD2 3.47Å; Q181-L307 HydrophobicContact CB-CG 4.24Å
182E95Very high84.8Confident122 Ų12288.7 Ų88.757%0.5747%0.47SS*.EExtended strand (participates in β ladder)trans-123.7151.1176.9-174.5-178.2-164.500109.8P194 V195E182-P194 HydrophobicContact CG-CB 3.72Å; E182-P194 WeakPolarHBondContact OE1-CB 3.4Å; E182-P194 WeakPolarHBondContact OE1-CG 3.33Å; E182-V195 WeakPolarHBondContact CA-O 3.27Å
183K92.6Very high84.7Confident55 Ų5586.6 Ų86.624%0.23946%0.455CS..EExtended strand (participates in β ladder)trans-145127.9177.4177.3178.3177.3179.20112.5P194 V195 K303 L305K183-P194 CarbonylContact O-C 3.55Å; K183-P194 WeakPolarHBondContact O-CA 3.44Å; K183-V195 PolarHBondContact N-O 3.29Å; K183-V195 PolarHBondContact O-N 3.22Å; K183-K303 PolarHBondContact NZ-O 2.91Å; K183-L305 HydrophobicContact CB-CD1 4.03Å; K183-L305 HydrophobicContact CB-CD2 4.32Å
184M90.3Very high84.7Confident126 Ų12687 Ų8762%0.62146%0.459SS*.EExtended strand (participates in β ladder)trans-67.1130.9169-66.8-60.1-67.700111.9P194M184-P194 HydrophobicContact SD-CB 3.74Å; M184-P194 HydrophobicContact SD-CG 4.17Å
185V85.6Confident84.9Confident2 Ų284.1 Ų84.11%0.01244%0.444CS..EExtended strand (participates in β ladder)trans-109.9104.8177.1-179.90000108.6S192 V195 R224 I299V185-S192 CarbonylContact O-C 3.23Å; V185-S192 VanDerWaalsContact O-C 3.23Å; V185-S192 WeakPolarHBondContact O-CA 3.21Å; V185-S192 WeakPolarHBondContact O-CB 3.15Å; V185-S192 PolarHBondContact O-N 3.21Å; V185-S192 PolarHBondContact O-OG 2.79Å; V185-V195 HydrophobicContact CG2-CB 4.41Å; V185-V195 HydrophobicContact CG2-CG2 3.68Å; V185-R224 HydrophobicContact CG1-CG 4.4Å; V185-I299 HydrophobicContact CG1-CG2 4.02Å; V185-I299 HydrophobicContact CG2-CD1 3.96Å; V185-I299 HydrophobicContact CG2-CG2 4.16Å
186G76.1Confident85.1Confident47 Ų4781.7 Ų81.749%0.48543%0.43SS..EExtended strand (participates in β ladder)trans-139.8164.6178.400000112.8
187C65.5Low85.3Confident87 Ų8777.8 Ų77.859%0.58840%0.404SS*.EExtended strand (participates in β ladder)trans-122.5165.3164.6-171.20000108.5F189 F190C187-F189 PolarHBondContact O-N 3.17Å; C187-F190 PolarHBondContact N-O 2.9Å; C187-F190 PolarHBondContact O-N 2.85Å; C187-F190 VanDerWaalsContact O-O 3.05Å
188W59.1Low85.4Confident230 Ų23077.7 Ų77.787%0.87140%0.404SS*.THydrogen-bonded Turntrans-50.6-24.7-172.1-166.4-70.1000114.9
189F61.7Low85.5Confident166 Ų16672.6 Ų72.673%0.72838%0.378SS*.THydrogen-bonded Turntrans-116.7-5.1-178.4-57.2-77.5000115.1C187C187-F189 PolarHBondContact O-N 3.17Å
190F65.1Low85.5Confident162 Ų16272.9 Ų72.971%0.71138%0.379SS*.EExtended strand (participates in β ladder)trans-140.8121.2-176.7-60.3-76000110.9C187C187-F190 PolarHBondContact N-O 2.9Å; C187-F190 PolarHBondContact O-N 2.85Å; C187-F190 VanDerWaalsContact O-O 3.05Å
191T64.6Low85.5Confident145 Ų14568.4 Ų68.489%0.8935%0.352SS*.EExtended strand (participates in β ladder)trans-80.8122167.549.80000108.4
192S78.3Confident85.4Confident16 Ų1668 Ų6811%0.11235%0.35CS..EExtended strand (participates in β ladder)trans-110.6154.7165.8137.60000107.4V185 S222 S223V185-S192 CarbonylContact O-C 3.23Å; V185-S192 VanDerWaalsContact O-C 3.23Å; V185-S192 WeakPolarHBondContact O-CA 3.21Å; V185-S192 WeakPolarHBondContact O-CB 3.15Å; V185-S192 PolarHBondContact O-N 3.21Å; V185-S192 PolarHBondContact O-OG 2.79Å; S192-S222 WeakPolarHBondContact OG-CA 3.43Å; S192-S222 VanDerWaalsContact OG-CB 3.26Å; S192-S222 WeakPolarHBondContact OG-CB 3.35Å; S192-S223 PolarHBondContact OG-N 3.44Å
193G88.1Confident85.4Confident24 Ų2463.6 Ų63.625%0.24733%0.328CS..EExtended strand (participates in β ladder)trans-67.6173.9-176.900000113.3C221 S222G193-C221 CarbonylContact C-O 3.47Å; G193-C221 WeakPolarHBondContact CA-O 3.15Å; G193-C221 PolarHBondContact N-O 3.34Å; G193-S222 WeakPolarHBondContact O-CA 3.25Å; G193-S222 WeakPolarHBondContact O-CB 3.3Å
194P93.8Very high85.6Confident28 Ų2864 Ų6418%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-71.5161.3-177.427.6-33.2000113E182 K183 M184 C221 S222E182-P194 HydrophobicContact CG-CB 3.72Å; E182-P194 WeakPolarHBondContact OE1-CB 3.4Å; E182-P194 WeakPolarHBondContact OE1-CG 3.33Å; K183-P194 CarbonylContact O-C 3.55Å; K183-P194 WeakPolarHBondContact O-CA 3.44Å; M184-P194 HydrophobicContact SD-CB 3.74Å; M184-P194 HydrophobicContact SD-CG 4.17Å; P194-C221 HydrophobicContact CG-CB 4.11Å; P194-C221 CarbonylContact O-C 3.41Å; P194-C221 VanDerWaalsContact O-CA 3.27Å; P194-C221 WeakPolarHBondContact O-CA 3.22Å; P194-C221 VanDerWaalsContact O-CB 3.23Å; P194-C221 WeakPolarHBondContact O-CB 3.41Å; P194-C221 PolarHBondContact O-N 2.8Å; P194-S222 PolarHBondContact O-N 3.28Å
195V96.3Very high85.9Confident0 Ų058 Ų580%030%0.3CS..EExtended strand (participates in β ladder)trans-113.6124.1160.9178.40000106.9E182 K183 V185 E219 I226 I297 I299 L305E182-V195 WeakPolarHBondContact CA-O 3.27Å; K183-V195 PolarHBondContact N-O 3.29Å; K183-V195 PolarHBondContact O-N 3.22Å; V185-V195 HydrophobicContact CG2-CB 4.41Å; V185-V195 HydrophobicContact CG2-CG2 3.68Å; V195-E219 CarbonylContact C-O 3.49Å; V195-E219 WeakPolarHBondContact CA-O 3.2Å; V195-I226 HydrophobicContact CG1-CD1 3.86Å; V195-I226 HydrophobicContact CG2-CG2 4.39Å; V195-I297 HydrophobicContact CG1-CD1 3.58Å; V195-I297 HydrophobicContact CG1-CG2 4.27Å; V195-I299 HydrophobicContact CB-CD1 4.24Å; V195-I299 HydrophobicContact CG1-CD1 4.47Å; V195-I299 HydrophobicContact CG2-CD1 4.1Å; V195-L305 HydrophobicContact CB-CD2 4.48Å; V195-L305 HydrophobicContact CG1-CD2 4.15Å; V195-L305 VanDerWaalsContact O-CD2 3.28Å; V195-L305 WeakPolarHBondContact O-CD2 3.33Å
196S97.1Very high86.4Confident24 Ų2458 Ų5817%0.16830%0.3CS..EExtended strand (participates in β ladder)trans-107.7145.3177.591.60000110.4E219S196-E219 PolarHBondContact N-O 3.26Å; S196-E219 PolarHBondContact O-N 2.83Å; S196-E219 VanDerWaalsContact O-N 3.08Å; S196-E219 VanDerWaalsContact OG-CB 3.24Å; S196-E219 WeakPolarHBondContact OG-CB 3.47Å; S196-E219 PolarHBondContact OG-OE2 3.23Å
197L98.2Very high87.3Confident0 Ų056.4 Ų56.40%028%0.281CS..EExtended strand (participates in β ladder)trans-140.5120.4178174.961.2000108.8T180 Q181 E217 I218 V295 I297 L305 L307T180-L197 CarbonylContact C-O 3.5Å; T180-L197 WeakPolarHBondContact CA-O 2.92Å; Q181-L197 PolarHBondContact N-O 3.33Å; Q181-L197 PolarHBondContact O-N 2.98Å; L197-E217 WeakPolarHBondContact CA-O 3.49Å; L197-I218 HydrophobicContact CD1-CD1 4.47Å; L197-I218 HydrophobicContact CD1-CG1 3.63Å; L197-V295 HydrophobicContact CD1-CG1 3.91Å; L197-V295 HydrophobicContact CD2-CB 4.4Å; L197-V295 HydrophobicContact CD2-CG1 4.11Å; L197-V295 WeakPolarHBondContact CD2-O 3.36Å; L197-I297 HydrophobicContact CB-CD1 3.91Å; L197-I297 HydrophobicContact CD1-CD1 4.27Å; L197-I297 HydrophobicContact CD2-CD1 4.34Å; L197-I297 HydrophobicContact CD2-CG1 4.31Å; L197-I297 HydrophobicContact CG-CD1 4.39Å; L197-L305 HydrophobicContact CB-CD2 3.82Å; L197-L305 HydrophobicContact CB-CG 4.32Å; L197-L307 HydrophobicContact CB-CD1 4.49Å; L197-L307 HydrophobicContact CD2-CB 4.41Å; L197-L307 HydrophobicContact CD2-CD1 3.99Å; L197-L307 HydrophobicContact CD2-CG 3.98Å; L197-L307 HydrophobicContact CG-CD1 3.78Å; L197-L307 HydrophobicContact CG-CG 4.28Å
198S98.2Very high88.7Confident19 Ų1955.4 Ų55.413%0.13327%0.27CS..EExtended strand (participates in β ladder)trans-112.3137.3163.6-165.60000109.5L178 K179 T180 A216 E217L178-S198 WeakPolarHBondContact CD1-OG 3.11Å; K179-S198 WeakPolarHBondContact O-CA 3.41Å; T180-S198 PolarHBondContact OG1-OG 2.95Å; S198-A216 CarbonylContact O-C 3.59Å; S198-A216 WeakPolarHBondContact O-CA 3.41Å; S198-A216 WeakPolarHBondContact O-CB 3.16Å; S198-E217 PolarHBondContact N-O 2.81Å; S198-E217 PolarHBondContact O-N 2.95Å
199A98.3Very high90.4Very high1 Ų146.3 Ų46.31%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-139.7133.3179.800000111.2L178 K179 Y215 V295 L307 L309L178-A199 WeakPolarHBondContact CA-O 3.36Å; K179-A199 PolarHBondContact N-O 3.31Å; K179-A199 PolarHBondContact O-N 2.92Å; A199-Y215 CarbonylContact C-O 3.57Å; A199-Y215 WeakPolarHBondContact CA-O 3.49Å; A199-V295 HydrophobicContact CB-CB 3.99Å; A199-V295 HydrophobicContact CB-CG1 4.34Å; A199-V295 HydrophobicContact CB-CG2 3.84Å; A199-L307 HydrophobicContact CB-CD1 3.92Å; A199-L309 HydrophobicContact CB-CD1 4.07Å
200K97.9Very high92Very high95 Ų9540.6 Ų40.641%0.41322%0.223SC..EExtended strand (participates in β ladder)trans-133.1141.3-177.8-179.6-176.7174-1720111.7V177 L178 Y215V177-K200 CarbonylContact O-C 3.45Å; V177-K200 VanDerWaalsContact O-CA 3.23Å; V177-K200 WeakPolarHBondContact O-CA 3.31Å; L178-K200 HydrophobicContact CB-CB 4.48Å; L178-K200 HydrophobicContact CB-CG 4.46Å; L178-K200 HydrophobicContact CD1-CB 3.82Å; K200-Y215 PolarHBondContact N-O 2.58Å; K200-Y215 PolarHBondContact O-N 2.84Å
201I97.5Very high93.4Very high0 Ų035 Ų350%021%0.207CC..EExtended strand (participates in β ladder)trans-126.7149.5164.856.3178.9000109.2P176 V177 R203 I212 L293 L309 L311P176-I201 CarbonylContact C-O 3.37Å; P176-I201 VanDerWaalsContact CA-O 3.3Å; P176-I201 WeakPolarHBondContact CA-O 3.39Å; P176-I201 WeakPolarHBondContact CB-O 3.44Å; V177-I201 HydrophobicContact CB-CD1 4.24Å; V177-I201 HydrophobicContact CB-CG1 3.82Å; V177-I201 HydrophobicContact CG2-CD1 4.32Å; V177-I201 HydrophobicContact CG2-CG1 4.23Å; V177-I201 PolarHBondContact N-O 2.81Å; V177-I201 PolarHBondContact O-N 3.47Å; I201-R203 VanDerWaalsContact CD1-O 3.3Å; I201-R203 WeakPolarHBondContact CD1-O 3.38Å; I201-R203 WeakPolarHBondContact CG1-O 3.45Å; I201-I212 HydrophobicContact CG2-CG2 3.92Å; I201-L293 HydrophobicContact CG2-CD2 3.54Å; I201-L309 HydrophobicContact CD1-CB 4.08Å; I201-L309 HydrophobicContact CG1-CD1 4.37Å; I201-L309 HydrophobicContact CG2-CD1 4.19Å; I201-L311 HydrophobicContact CD1-CD2 3.55Å
202E95.1Very high95Very high79 Ų7928.1 Ų28.137%0.36917%0.165SC..SBendtrans-75.2-29.3-174-69.8171.2-176.700113.5P176 Y215P176-E202 WeakPolarHBondContact CA-O 3.44Å; P176-E202 WeakPolarHBondContact CB-O 3.32Å; E202-Y215 HydrophobicContact CG-CE2 3.88Å; E202-Y215 VanDerWaalsContact OE1-CE2 3.23Å; E202-Y215 WeakPolarHBondContact OE1-CE2 3.46Å; E202-Y215 VanDerWaalsContact OE1-CZ 3.31Å; E202-Y215 PolarHBondContact OE1-OH 2.84Å
203R95.3Very high95.9Very high30 Ų3028.4 Ų28.411%0.11317%0.166CC..  trans-145.8165.7177.763.3179.1173.3-80.6-3.5110.9L173 I201 G205 Y206 E210L173-R203 WeakPolarHBondContact O-CB 3.27Å; I201-R203 VanDerWaalsContact CD1-O 3.3Å; I201-R203 WeakPolarHBondContact CD1-O 3.38Å; I201-R203 WeakPolarHBondContact CG1-O 3.45Å; R203-G205 WeakPolarHBondContact CD-O 3.1Å; R203-G205 WeakPolarHBondContact CG-O 3.47Å; R203-G205 PolarHBondContact NE-O 2.76Å; R203-Y206 HydrophobicContact CG-CE1 3.85Å; R203-Y206 HydrophobicContact CG-CE2 4.05Å; R203-Y206 WeakPolarHBondContact CG-OH 3.41Å; R203-Y206 WeakPolarHBondContact O-CE2 3.4Å; R203-Y206 PolarHBondContact O-OH 3.02Å; R203-E210 IonicContact CZ-OE1 3.58Å; R203-E210 IonicContact NE-OE1 2.84Å; R203-E210 IonicContact NH2-OE1 3.39Å; R203-E210 PolarHBondContact NH2-OE1 3.43Å
204K95.6Very high96.4Very high64 Ų6427.3 Ų27.328%0.27816%0.155SC..SBendtrans-94.5-31.3175.9175174.3172.7-174.10112.6L173 V177 P310 L311 V312L173-K204 HydrophobicContact CD2-CB 4.49Å; L173-K204 HydrophobicContact CD2-CD 4.01Å; L173-K204 HydrophobicContact CD2-CG 4.06Å; L173-K204 PolarHBondContact O-N 2.9Å; V177-K204 HydrophobicContact CG2-CB 4.35Å; K204-P310 HydrophobicContact CD-CB 4.5Å; K204-P310 HydrophobicContact CD-CG 4.49Å; K204-L311 CarbonylContact O-C 3.59Å; K204-L311 WeakPolarHBondContact O-CA 3.18Å; K204-V312 HydrophobicContact CG-CG2 4.33Å; K204-V312 PolarHBondContact O-N 3.13Å
205G96.1Very high96.6Very high0 Ų029.7 Ų29.70%016%0.161CC..EExtended strand (participates in β ladder)trans-89.1130.1-178.900000113.4L173 R203 V312L173-G205 PolarHBondContact O-N 2.94Å; R203-G205 WeakPolarHBondContact CD-O 3.1Å; R203-G205 WeakPolarHBondContact CG-O 3.47Å; R203-G205 PolarHBondContact NE-O 2.76Å; G205-V312 WeakPolarHBondContact CA-O 3.45Å
206Y96.6Very high96.7Very high1 Ų130 Ų300%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-142.3163.8174.8-61.8-90.3000110.7R203 E210 I212 I274 L311 V312 I313 G314R203-Y206 HydrophobicContact CG-CE1 3.85Å; R203-Y206 HydrophobicContact CG-CE2 4.05Å; R203-Y206 WeakPolarHBondContact CG-OH 3.41Å; R203-Y206 WeakPolarHBondContact O-CE2 3.4Å; R203-Y206 PolarHBondContact O-OH 3.02Å; Y206-E210 VanDerWaalsContact CA-OE2 3.24Å; Y206-E210 WeakPolarHBondContact CA-OE2 3.16Å; Y206-E210 WeakPolarHBondContact CB-OE2 3.34Å; Y206-E210 HydrophobicContact CD1-CG 4.3Å; Y206-I212 HydrophobicContact CD1-CG1 3.89Å; Y206-I212 HydrophobicContact CD2-CD1 4.27Å; Y206-I212 HydrophobicContact CD2-CG1 4.15Å; Y206-I212 HydrophobicContact CE1-CB 4.28Å; Y206-I212 HydrophobicContact CE1-CG1 3.99Å; Y206-I212 HydrophobicContact CE1-CG2 4.12Å; Y206-I212 HydrophobicContact CE2-CD1 4.45Å; Y206-I212 HydrophobicContact CE2-CG1 4.25Å; Y206-I212 HydrophobicContact CE2-CG2 4.23Å; Y206-I212 HydrophobicContact CG-CD1 4.47Å; Y206-I212 HydrophobicContact CG-CG1 3.99Å; Y206-I274 HydrophobicContact CG-CD1 4.11Å; Y206-L311 HydrophobicContact CD2-CD2 3.94Å; Y206-L311 HydrophobicContact CE2-CD2 3.73Å; Y206-V312 PolarHBondContact N-O 3Å; Y206-I313 CarbonylContact O-C 3.54Å; Y206-I313 VanDerWaalsContact O-CA 3.24Å; Y206-I313 WeakPolarHBondContact O-CA 3.26Å; Y206-G314 PolarHBondContact O-N 2.9Å
207C95.9Very high96.7Very high14 Ų1435 Ų3510%0.09518%0.184CC..EExtended strand (participates in β ladder)trans-112.8165175.8-76.50000112.9G209 E210 I274 G314 I316 P317C207-G209 PolarHBondContact O-N 3.45Å; C207-E210 PolarHBondContact N-OE2 2.92Å; C207-E210 WeakPolarHBondContact O-CB 3.38Å; C207-E210 PolarHBondContact O-N 2.58Å; C207-I274 WeakPolarHBondContact O-CD1 3.38Å; C207-G314 PolarHBondContact SG-O 3.36Å; C207-I316 VanDerWaalsContact SG-C 3.58Å; C207-I316 PolarHBondContact SG-O 2.74Å; C207-P317 VanDerWaalsContact SG-CA 3.59Å
208N94.8Very high96.7Very high65 Ų6535.2 Ų35.235%0.34818%0.184SC..THydrogen-bonded Turntrans-56.7137.7173.6-77-40.4000111.5E210 P275 V277N208-E210 PolarHBondContact O-N 3.04Å; N208-P275 PolarHBondContact OD1-O 2.78Å; N208-V277 PolarHBondContact ND2-O 2.82Å; N208-V277 VanDerWaalsContact OD1-CG2 3.27Å; N208-V277 WeakPolarHBondContact OD1-CG2 3.38Å; N208-V277 PolarHBondContact OD1-N 2.86Å; N208-V277 PolarHBondContact OD1-O 3.17Å
209G93.8Very high96.7Very high39 Ų3938.4 Ų38.440%0.40220%0.197SC..THydrogen-bonded Turntrans84.4-16.3-179.500000114.7C207 K273 I274C207-G209 PolarHBondContact O-N 3.45Å; G209-K273 VanDerWaalsContact O-CE 3.31Å; G209-K273 WeakPolarHBondContact O-CE 3.19Å; G209-I274 WeakPolarHBondContact CA-O 3.12Å; G209-I274 PolarHBondContact N-O 2.82Å
210E94.9Very high96.6Very high47 Ų4738.3 Ų38.322%0.2220%0.197CC..  trans-70.8153.7178.8-167.7169.9-161.800112.1R203 Y206 C207 N208 I274R203-E210 IonicContact CZ-OE1 3.58Å; R203-E210 IonicContact NE-OE1 2.84Å; R203-E210 IonicContact NH2-OE1 3.39Å; R203-E210 PolarHBondContact NH2-OE1 3.43Å; Y206-E210 VanDerWaalsContact CA-OE2 3.24Å; Y206-E210 WeakPolarHBondContact CA-OE2 3.16Å; Y206-E210 WeakPolarHBondContact CB-OE2 3.34Å; Y206-E210 HydrophobicContact CD1-CG 4.3Å; C207-E210 PolarHBondContact N-OE2 2.92Å; C207-E210 WeakPolarHBondContact O-CB 3.38Å; C207-E210 PolarHBondContact O-N 2.58Å; N208-E210 PolarHBondContact O-N 3.04Å; E210-I274 WeakPolarHBondContact O-CG1 3.49Å; E210-I274 PolarHBondContact O-N 3.44Å
211A95.9Very high96.4Very high44 Ų4436.3 Ų36.336%0.36419%0.194SC..EExtended strand (participates in β ladder)trans-105.1124.117500000110.7P213 T271A211-P213 WeakPolarHBondContact O-CD 3.23Å; A211-T271 HydrophobicContact CB-CG2 4.45Å
212I97.2Very high96.3Very high0 Ų036.4 Ų36.40%020%0.195CC..EExtended strand (participates in β ladder)trans-81.1118.2177.3-55.7174.6000108.5I201 Y206 I214 I232 T271 L272 I274 L293 L311I201-I212 HydrophobicContact CG2-CG2 3.92Å; Y206-I212 HydrophobicContact CD1-CG1 3.89Å; Y206-I212 HydrophobicContact CD2-CD1 4.27Å; Y206-I212 HydrophobicContact CD2-CG1 4.15Å; Y206-I212 HydrophobicContact CE1-CB 4.28Å; Y206-I212 HydrophobicContact CE1-CG1 3.99Å; Y206-I212 HydrophobicContact CE1-CG2 4.12Å; Y206-I212 HydrophobicContact CE2-CD1 4.45Å; Y206-I212 HydrophobicContact CE2-CG1 4.25Å; Y206-I212 HydrophobicContact CE2-CG2 4.23Å; Y206-I212 HydrophobicContact CG-CD1 4.47Å; Y206-I212 HydrophobicContact CG-CG1 3.99Å; I212-I214 HydrophobicContact CG2-CG1 4.31Å; I212-I214 PolarHBondContact O-N 2.95Å; I212-I232 HydrophobicContact CD1-CD1 3.84Å; I212-I232 HydrophobicContact CD1-CG1 4.34Å; I212-T271 WeakPolarHBondContact O-CA 3.49Å; I212-L272 PolarHBondContact N-O 2.81Å; I212-L272 PolarHBondContact O-N 3.06Å; I212-I274 HydrophobicContact CD1-CD1 3.94Å; I212-I274 HydrophobicContact CD1-CG1 4.01Å; I212-I274 HydrophobicContact CG1-CD1 3.87Å; I212-I274 HydrophobicContact CG1-CG1 4.05Å; I212-L293 HydrophobicContact CG2-CD2 4.34Å; I212-L311 HydrophobicContact CD1-CD1 3.72Å; I212-L311 HydrophobicContact CD1-CD2 4.33Å
213P97.1Very high96.1Very high23 Ų2336.8 Ų36.815%0.14921%0.206CC..EExtended strand (participates in β ladder)trans-76.2118.6170.630.7-31.7000109.7A211 Y215A211-P213 WeakPolarHBondContact O-CD 3.23Å; P213-Y215 HydrophobicContact CB-CE2 4.15Å
214I98.1Very high96Very high0 Ų037.7 Ų37.70%021%0.21CC..EExtended strand (participates in β ladder)trans-102.9123.9-179.7-51.2173.9000108.9I212 A230 W267 G269 K270 L272 L293 V295I212-I214 HydrophobicContact CG2-CG1 4.31Å; I212-I214 PolarHBondContact O-N 2.95Å; I214-A230 HydrophobicContact CD1-CB 3.63Å; I214-W267 HydrophobicContact CB-CE3 4.42Å; I214-W267 HydrophobicContact CG2-CE3 3.94Å; I214-W267 HydrophobicContact CG2-CZ3 4.31Å; I214-G269 CarbonylContact O-C 3.6Å; I214-G269 WeakPolarHBondContact O-CA 3.21Å; I214-G269 PolarHBondContact O-N 2.8Å; I214-K270 VanDerWaalsContact CB-O 3.31Å; I214-K270 WeakPolarHBondContact CB-O 3.34Å; I214-K270 WeakPolarHBondContact CG1-O 3.48Å; I214-K270 PolarHBondContact N-O 2.79Å; I214-K270 PolarHBondContact O-N 2.94Å; I214-L272 HydrophobicContact CD1-CB 3.92Å; I214-L272 HydrophobicContact CD1-CD2 4.3Å; I214-L293 HydrophobicContact CD1-CD1 3.89Å; I214-L293 HydrophobicContact CD1-CD2 3.95Å; I214-L293 HydrophobicContact CD1-CG 4.5Å; I214-L293 HydrophobicContact CG1-CD2 3.85Å; I214-L293 HydrophobicContact CG2-CD2 4.42Å; I214-V295 HydrophobicContact CG2-CG2 4.12Å
215Y98.2Very high96Very high79 Ų7939.2 Ų39.231%0.3122%0.22SC..EExtended strand (participates in β ladder)trans-104.3124.6171-57.6-89.2000108.8A199 K200 E202 P213 W267A199-Y215 CarbonylContact C-O 3.57Å; A199-Y215 WeakPolarHBondContact CA-O 3.49Å; K200-Y215 PolarHBondContact N-O 2.58Å; K200-Y215 PolarHBondContact O-N 2.84Å; E202-Y215 HydrophobicContact CG-CE2 3.88Å; E202-Y215 VanDerWaalsContact OE1-CE2 3.23Å; E202-Y215 WeakPolarHBondContact OE1-CE2 3.46Å; E202-Y215 VanDerWaalsContact OE1-CZ 3.31Å; E202-Y215 PolarHBondContact OE1-OH 2.84Å; P213-Y215 HydrophobicContact CB-CE2 4.15Å; Y215-W267 CarbonylContact C-O 3.5Å; Y215-W267 WeakPolarHBondContact CA-O 3.38Å
216A98.1Very high96.1Very high5 Ų539.2 Ų39.24%0.04122%0.22CC..EExtended strand (participates in β ladder)trans-146142.2-179.300000112.1S198 I218 T266 W267S198-A216 CarbonylContact O-C 3.59Å; S198-A216 WeakPolarHBondContact O-CA 3.41Å; S198-A216 WeakPolarHBondContact O-CB 3.16Å; A216-I218 HydrophobicContact CB-CD1 4Å; A216-T266 CarbonylContact O-C 3.51Å; A216-T266 WeakPolarHBondContact O-CA 3.34Å; A216-W267 HydrophobicContact CB-CB 4.06Å; A216-W267 HydrophobicContact CB-CD2 4.24Å; A216-W267 HydrophobicContact CB-CE3 4.04Å; A216-W267 HydrophobicContact CB-CG 4.29Å; A216-W267 PolarHBondContact N-O 2.82Å; A216-W267 PolarHBondContact O-N 2.79Å
217E98Very high96.1Very high131 Ų13139.8 Ų39.861%0.61222%0.224SC*.EExtended strand (participates in β ladder)trans-116.6122173.1-64.1176.1-178.100107.4L197 S198 T266L197-E217 WeakPolarHBondContact CA-O 3.49Å; S198-E217 PolarHBondContact N-O 2.81Å; S198-E217 PolarHBondContact O-N 2.95Å; E217-T266 HydrophobicContact CG-CG2 4.32Å
218I98.1Very high96.2Very high3 Ų339.1 Ų39.12%0.01522%0.219CC..EExtended strand (participates in β ladder)trans-122.2126.8-178.2-56100.7000108.8L197 A216 I226 P228 I259 T264 D265 I297L197-I218 HydrophobicContact CD1-CD1 4.47Å; L197-I218 HydrophobicContact CD1-CG1 3.63Å; A216-I218 HydrophobicContact CB-CD1 4Å; I218-I226 HydrophobicContact CG2-CD1 3.93Å; I218-P228 HydrophobicContact CD1-CB 4.4Å; I218-P228 HydrophobicContact CG1-CB 4.41Å; I218-I259 HydrophobicContact CB-CD1 3.85Å; I218-I259 HydrophobicContact CG2-CD1 3.45Å; I218-I259 VanDerWaalsContact CG2-CD1 3.45Å; I218-T264 CarbonylContact O-C 3.53Å; I218-T264 WeakPolarHBondContact O-CA 3.41Å; I218-T264 WeakPolarHBondContact O-CB 3.05Å; I218-D265 HydrophobicContact CB-CB 4.5Å; I218-D265 HydrophobicContact CD1-CB 4.47Å; I218-D265 PolarHBondContact N-O 2.83Å; I218-D265 PolarHBondContact O-N 2.85Å; I218-I297 HydrophobicContact CG1-CD1 4.39Å; I218-I297 HydrophobicContact CG2-CD1 3.48Å; I218-I297 VanDerWaalsContact CG2-CD1 3.48Å; I218-I297 HydrophobicContact CG2-CG1 4.4Å
219E97.6Very high96.4Very high86 Ų8639 Ų3940%0.40222%0.216SC..EExtended strand (participates in β ladder)trans-122.1127.1175.5-174.5178.1-163.800109.9V195 S196 T264V195-E219 CarbonylContact C-O 3.49Å; V195-E219 WeakPolarHBondContact CA-O 3.2Å; S196-E219 PolarHBondContact N-O 3.26Å; S196-E219 PolarHBondContact O-N 2.83Å; S196-E219 VanDerWaalsContact O-N 3.08Å; S196-E219 VanDerWaalsContact OG-CB 3.24Å; S196-E219 WeakPolarHBondContact OG-CB 3.47Å; S196-E219 PolarHBondContact OG-OE2 3.23Å; E219-T264 HydrophobicContact CB-CG2 4.04Å; E219-T264 HydrophobicContact CG-CG2 3.83Å
220N96.9Very high96.6Very high0 Ų037.2 Ų37.20%020%0.197CC..EExtended strand (participates in β ladder)trans-11184.6179.2-173.920.6000111S222 R224 I226 I259 A260 G262 S263N220-S222 PolarHBondContact O-N 2.79Å; N220-S222 WeakPolarHBondContact OD1-CB 3.21Å; N220-S222 PolarHBondContact OD1-N 3.2Å; N220-S222 PolarHBondContact OD1-O 2.86Å; N220-S222 PolarHBondContact OD1-OG 3.43Å; N220-R224 PolarHBondContact ND2-O 3.27Å; N220-I226 HydrophobicContact CB-CD1 3.63Å; N220-I226 HydrophobicContact CB-CG1 4.12Å; N220-I259 HydrophobicContact CB-CG2 3.93Å; N220-I259 PolarHBondContact ND2-O 2.81Å; N220-A260 VanDerWaalsContact ND2-C 3.32Å; N220-A260 PolarHBondContact ND2-O 2.86Å; N220-G262 WeakPolarHBondContact O-CA 3.45Å; N220-G262 PolarHBondContact O-N 2.86Å; N220-S263 WeakPolarHBondContact CB-O 3.39Å; N220-S263 PolarHBondContact N-O 2.68Å
221C94.6Very high96.7Very high53 Ų5335 Ų3536%0.35819%0.186SC..  trans-82.75.3169.8-63.20000112.3G193 P194G193-C221 CarbonylContact C-O 3.47Å; G193-C221 WeakPolarHBondContact CA-O 3.15Å; G193-C221 PolarHBondContact N-O 3.34Å; P194-C221 HydrophobicContact CG-CB 4.11Å; P194-C221 CarbonylContact O-C 3.41Å; P194-C221 VanDerWaalsContact O-CA 3.27Å; P194-C221 WeakPolarHBondContact O-CA 3.22Å; P194-C221 VanDerWaalsContact O-CB 3.23Å; P194-C221 WeakPolarHBondContact O-CB 3.41Å; P194-C221 PolarHBondContact O-N 2.8Å
222S93.8Very high96.8Very high1 Ų132.9 Ų32.91%0.00717%0.169CC..SBendtrans-83.9160.3176.5880000112.2S192 G193 P194 N220 R224 S261S192-S222 WeakPolarHBondContact OG-CA 3.43Å; S192-S222 VanDerWaalsContact OG-CB 3.26Å; S192-S222 WeakPolarHBondContact OG-CB 3.35Å; G193-S222 WeakPolarHBondContact O-CA 3.25Å; G193-S222 WeakPolarHBondContact O-CB 3.3Å; P194-S222 PolarHBondContact O-N 3.28Å; N220-S222 PolarHBondContact O-N 2.79Å; N220-S222 WeakPolarHBondContact OD1-CB 3.21Å; N220-S222 PolarHBondContact OD1-N 3.2Å; N220-S222 PolarHBondContact OD1-O 2.86Å; N220-S222 PolarHBondContact OD1-OG 3.43Å; S222-R224 PolarHBondContact O-N 2.83Å; S222-R224 PolarHBondContact OG-N 2.9Å; S222-S261 WeakPolarHBondContact O-CA 3.5Å; S222-S261 VanDerWaalsContact O-CB 3.28Å; S222-S261 WeakPolarHBondContact O-CB 3.45Å; S222-S261 PolarHBondContact O-OG 2.83Å
223S92.4Very high96.9Very high87 Ų8733.9 Ų33.961%0.60817%0.173SC*.SBendtrans-76.14.5175.361.10000114.5S192S192-S223 PolarHBondContact OG-N 3.44Å
224R92.8Very high96.9Very high50 Ų5033.6 Ų33.619%0.18917%0.17CC..SBendtrans-106.9149-169.4-55.4-172.7-176.9177.13.2111.5V185 N220 S222 I226 P300 G301V185-R224 HydrophobicContact CG1-CG 4.4Å; N220-R224 PolarHBondContact ND2-O 3.27Å; S222-R224 PolarHBondContact O-N 2.83Å; S222-R224 PolarHBondContact OG-N 2.9Å; R224-I226 PolarHBondContact O-N 3.42Å; R224-P300 WeakPolarHBondContact CD-O 3.28Å; R224-P300 PolarHBondContact NH1-O 2.8Å; R224-G301 PolarHBondContact NH1-O 2.86Å
225L95.6Very high96.9Very high96 Ų9635 Ų3550%0.50318%0.179SC..  trans-77111.6167.8-17271.4000109.2H258 A260 P300L225-H258 HydrophobicContact CD1-CB 3.89Å; L225-H258 HydrophobicContact CD2-CB 4.23Å; L225-H258 HydrophobicContact CG-CB 4.06Å; L225-A260 HydrophobicContact CD1-CB 4.41Å; L225-P300 VanDerWaalsContact O-CD 3.26Å; L225-P300 WeakPolarHBondContact O-CD 3.34Å; L225-P300 WeakPolarHBondContact O-CG 3.26Å
226I96.8Very high96.9Very high0 Ų032 Ų320%017%0.167CC..BIsolated β-bridgetrans-101.9160-176.167.8168.8000111.9V195 I218 N220 R224 H258 I259 I297 I299V195-I226 HydrophobicContact CG1-CD1 3.86Å; V195-I226 HydrophobicContact CG2-CG2 4.39Å; I218-I226 HydrophobicContact CG2-CD1 3.93Å; N220-I226 HydrophobicContact CB-CD1 3.63Å; N220-I226 HydrophobicContact CB-CG1 4.12Å; R224-I226 PolarHBondContact O-N 3.42Å; I226-H258 WeakPolarHBondContact O-CA 3.44Å; I226-I259 HydrophobicContact CD1-CB 4.19Å; I226-I259 HydrophobicContact CD1-CD1 4.09Å; I226-I259 HydrophobicContact CG1-CB 3.71Å; I226-I259 HydrophobicContact CG1-CD1 4.28Å; I226-I259 HydrophobicContact CG1-CG1 4.35Å; I226-I259 PolarHBondContact N-O 2.85Å; I226-I259 PolarHBondContact O-N 2.91Å; I226-I297 HydrophobicContact CB-CG2 3.66Å; I226-I297 HydrophobicContact CD1-CD1 4.34Å; I226-I297 HydrophobicContact CD1-CG2 3.66Å; I226-I297 HydrophobicContact CG1-CG2 4.07Å; I226-I297 HydrophobicContact CG2-CG2 4.26Å; I226-I299 HydrophobicContact CG2-CG1 4.09Å; I226-I299 HydrophobicContact CG2-CG2 4.33Å
227V97.8Very high96.8Very high12 Ų1232.8 Ų32.87%0.07317%0.172CC..EExtended strand (participates in β ladder)trans-131.8110176.8-175.20000110.8K229 R255 H258 H298V227-K229 HydrophobicContact CG1-CG 4.38Å; V227-R255 HydrophobicContact CG1-CG 4.02Å; V227-H258 WeakPolarHBondContact CG2-CD2 3.18Å; V227-H298 HydrophobicContact CB-CB 4.44Å; V227-H298 PolarHBondContact N-O 2.84Å; V227-H298 VanDerWaalsContact N-O 3.07Å; V227-H298 PolarHBondContact O-N 3.11Å
228P97.8Very high96.8Very high0 Ų026.6 Ų26.60%014%0.143CC..EExtended strand (participates in β ladder)trans-74.4142.8171.734.1-36.1000111.1I218 G256 N257 I259 W267 I297I218-P228 HydrophobicContact CD1-CB 4.4Å; I218-P228 HydrophobicContact CG1-CB 4.41Å; P228-G256 PolarHBondContact O-N 3.38Å; P228-N257 WeakPolarHBondContact CD-O 3.33Å; P228-I259 HydrophobicContact CG-CD1 3.89Å; P228-I259 HydrophobicContact CG-CG1 4.4Å; P228-W267 HydrophobicContact CB-CH2 4.26Å; P228-W267 HydrophobicContact CB-CZ2 3.67Å; P228-W267 HydrophobicContact CG-CZ2 3.84Å; P228-I297 HydrophobicContact CB-CG1 4.36Å
229K98Very high96.6Very high64 Ų6429.8 Ų29.828%0.27816%0.16SC..EExtended strand (participates in β ladder)trans-141.7151.6177.5-62.8-175.4-177.8-178.70109.2V227 V254 R255 Y296V227-K229 HydrophobicContact CG1-CG 4.38Å; K229-V254 WeakPolarHBondContact CA-O 3.3Å; K229-R255 HydrophobicContact CG-CG 4.34Å; K229-Y296 HydrophobicContact CB-CD1 4.46Å; K229-Y296 HydrophobicContact CB-CD2 4.3Å; K229-Y296 HydrophobicContact CB-CE1 3.96Å; K229-Y296 HydrophobicContact CB-CE2 3.8Å; K229-Y296 HydrophobicContact CD-CE2 3.85Å; K229-Y296 HydrophobicContact CG-CE2 4.3Å; K229-Y296 PolarHBondContact N-O 2.94Å; K229-Y296 PolarHBondContact O-N 2.94Å; K229-Y296 VanDerWaalsContact O-O 3.11Å
230A98.3Very high96.5Very high0 Ų025.8 Ų25.80%014%0.141CC..EExtended strand (participates in β ladder)trans-124.9145.9167.100000110.3I214 N253 V254 W267 L272 L293 A294 V295I214-A230 HydrophobicContact CD1-CB 3.63Å; A230-N253 CarbonylContact O-C 3.54Å; A230-N253 WeakPolarHBondContact O-CA 3.23Å; A230-N253 WeakPolarHBondContact O-CB 3.46Å; A230-V254 HydrophobicContact CB-CG1 3.82Å; A230-V254 PolarHBondContact N-O 3.04Å; A230-V254 PolarHBondContact O-N 3Å; A230-W267 HydrophobicContact CB-CH2 4.14Å; A230-W267 HydrophobicContact CB-CZ3 3.75Å; A230-L272 HydrophobicContact CB-CD2 4.46Å; A230-L293 HydrophobicContact CB-CD1 4.3Å; A230-A294 CarbonylContact C-O 3.51Å; A230-A294 WeakPolarHBondContact CA-O 3.23Å; A230-V295 HydrophobicContact CB-CG2 4.29Å
231A98.3Very high96Very high0 Ų029.4 Ų29.40%017%0.167CC..EExtended strand (participates in β ladder)trans-148.6141.3177.400000111.8F233 M250 A252 N253 A294 Y296A231-F233 HydrophobicContact CB-CD2 4.25Å; A231-F233 HydrophobicContact CB-CE2 3.78Å; A231-F233 HydrophobicContact CB-CZ 4.24Å; A231-M250 HydrophobicContact CB-CE 4.1Å; A231-M250 HydrophobicContact CB-CG 4.1Å; A231-M250 HydrophobicContact CB-SD 4.17Å; A231-A252 CarbonylContact C-O 3.53Å; A231-A252 WeakPolarHBondContact CA-O 3.29Å; A231-A252 WeakPolarHBondContact CB-O 3.42Å; A231-N253 HydrophobicContact CB-CB 3.86Å; A231-A294 PolarHBondContact N-O 2.89Å; A231-A294 PolarHBondContact O-N 2.98Å; A231-Y296 HydrophobicContact CB-CE1 4.09Å
232I98.4Very high95.7Very high0 Ų031 Ų310%019%0.193CC..EExtended strand (participates in β ladder)trans-85.3128.2168.5-58.4173.8000107.4I212 V251 A252 L272 I274 Y291 S292 L293 L311I212-I232 HydrophobicContact CD1-CD1 3.84Å; I212-I232 HydrophobicContact CD1-CG1 4.34Å; I232-V251 HydrophobicContact CB-CB 4.28Å; I232-V251 HydrophobicContact CG2-CB 4.16Å; I232-V251 PolarHBondContact O-N 3.45Å; I232-A252 HydrophobicContact CD1-CB 4.34Å; I232-A252 PolarHBondContact N-O 2.82Å; I232-L272 HydrophobicContact CD1-CD2 4.19Å; I232-L272 HydrophobicContact CD1-CG 4.14Å; I232-L272 HydrophobicContact CG1-CD2 3.72Å; I232-L272 HydrophobicContact CG1-CG 4.23Å; I232-I274 HydrophobicContact CD1-CG1 3.78Å; I232-Y291 HydrophobicContact CG2-CD1 4.11Å; I232-S292 WeakPolarHBondContact CA-O 3.38Å; I232-L293 HydrophobicContact CG1-CD1 4.37Å; I232-L311 HydrophobicContact CG2-CD1 4.4Å
233F98.1Very high95.5Very high21 Ų2136.4 Ų36.49%0.09222%0.216CC..EExtended strand (participates in β ladder)trans-115130.3173.5-72.3-82.8000110.5A231 R248 H249 M250 Y291 S292 A294 M306A231-F233 HydrophobicContact CB-CD2 4.25Å; A231-F233 HydrophobicContact CB-CE2 3.78Å; A231-F233 HydrophobicContact CB-CZ 4.24Å; F233-R248 HydrophobicContact CB-CG 4.14Å; F233-R248 HydrophobicContact CD1-CG 3.88Å; F233-R248 HydrophobicContact CG-CG 4.35Å; F233-R248 VanDerWaalsContact CG-NH2 3.29Å; F233-H249 CarbonylContact C-O 3.49Å; F233-H249 VanDerWaalsContact CA-O 3.25Å; F233-H249 WeakPolarHBondContact CA-O 3.3Å; F233-M250 HydrophobicContact CD1-CB 4.02Å; F233-M250 HydrophobicContact CE1-CB 3.74Å; F233-M250 HydrophobicContact CE1-CE 3.77Å; F233-M250 HydrophobicContact CE1-CG 4.13Å; F233-M250 HydrophobicContact CE2-CE 4.44Å; F233-M250 HydrophobicContact CZ-CE 3.5Å; F233-M250 HydrophobicContact CZ-CG 4.46Å; F233-Y291 CarbonylContact O-C 3.53Å; F233-Y291 WeakPolarHBondContact O-CA 3.4Å; F233-S292 PolarHBondContact N-O 2.81Å; F233-S292 PolarHBondContact O-N 2.86Å; F233-A294 HydrophobicContact CD2-CB 3.63Å; F233-A294 HydrophobicContact CE2-CB 3.57Å; F233-M306 HydrophobicContact CE2-CE 4.12Å
234Q98.1Very high95.6Very high18 Ų1836.3 Ų36.38%0.08421%0.211CC..EExtended strand (participates in β ladder)trans-92.1126.6166.2-173-170.554.300108.5Q236 R248 H249 V251 V289 D290 Y291Q234-Q236 HydrophobicContact CG-CG 4.32Å; Q234-R248 CarbonylContact O-C 3.54Å; Q234-R248 WeakPolarHBondContact O-CA 3.3Å; Q234-H249 PolarHBondContact N-O 3.26Å; Q234-H249 PolarHBondContact O-N 3.32Å; Q234-V251 HydrophobicContact CB-CG2 3.68Å; Q234-V289 HydrophobicContact CG-CG1 3.74Å; Q234-D290 CarbonylContact C-O 3.57Å; Q234-D290 WeakPolarHBondContact CA-O 3.05Å; Q234-Y291 HydrophobicContact CB-CD1 3.89Å; Q234-Y291 HydrophobicContact CB-CE1 3.51Å; Q234-Y291 HydrophobicContact CG-CD1 4.17Å; Q234-Y291 HydrophobicContact CG-CE1 3.55Å; Q234-Y291 HydrophobicContact CG-CE2 4.43Å; Q234-Y291 PolarHBondContact NE2-OH 2.91Å
235T97.7Very high95.7Very high30 Ų3038.5 Ų38.518%0.18422%0.222CC..EExtended strand (participates in β ladder)trans-112.4113.9175.9-59.90000108.5T246 I247 D290T235-T246 HydrophobicContact CG2-CG2 3.33Å; T235-I247 CarbonylContact C-O 3.57Å; T235-I247 WeakPolarHBondContact CA-O 3.2Å; T235-D290 PolarHBondContact N-O 2.92Å; T235-D290 PolarHBondContact O-N 2.93Å
236Q97.5Very high95.8Very high14 Ų1437.9 Ų37.97%0.06522%0.223CC..EExtended strand (participates in β ladder)trans-99.8118.8177.1-57.1172.64.600108.3F131 Q234 Y238 T246 I247 R288F131-Q236 HydrophobicContact CZ-CG 4.07Å; Q234-Q236 HydrophobicContact CG-CG 4.32Å; Q236-Y238 HydrophobicContact CB-CE2 3.68Å; Q236-Y238 PolarHBondContact OE1-OH 3.21Å; Q236-T246 CarbonylContact O-C 3.59Å; Q236-T246 VanDerWaalsContact O-CA 3.3Å; Q236-T246 WeakPolarHBondContact O-CA 3.32Å; Q236-I247 PolarHBondContact N-O 3.04Å; Q236-I247 PolarHBondContact O-N 2.84Å; Q236-R288 CarbonylContact C-O 3.44Å; Q236-R288 WeakPolarHBondContact CA-O 3.42Å
237T97.1Very high95.7Very high23 Ų2339.2 Ų39.214%0.14123%0.23CC..EExtended strand (participates in β ladder)trans-114.1127.6-179.9-56.30000109.2L239 T244 I287 R288T237-L239 HydrophobicContact CG2-CD1 3.86Å; T237-T244 HydrophobicContact CG2-CG2 3.44Å; T237-T244 VanDerWaalsContact CG2-CG2 3.44Å; T237-I287 CarbonylContact O-C 3.49Å; T237-I287 WeakPolarHBondContact O-CA 3.24Å; T237-R288 PolarHBondContact N-O 2.94Å; T237-R288 PolarHBondContact O-N 2.95Å
238Y96.9Very high95.7Very high0 Ų043.3 Ų43.30%024%0.244CC..EExtended strand (participates in β ladder)trans-118.1128.6-179.9-53.3-95.8000108.4W67 F131 G133 K134 Y135 Q236 T244 K245 I247 I286 I287W67-Y238 WeakPolarHBondContact CH2-O 3.38Å; F131-Y238 HydrophobicContact CE1-CE1 4.26Å; G133-Y238 VanDerWaalsContact CA-OH 3.27Å; G133-Y238 WeakPolarHBondContact CA-OH 3.29Å; K134-Y238 PolarHBondContact N-OH 2.96Å; Y135-Y238 HydrophobicContact CD2-CD2 4.06Å; Y135-Y238 HydrophobicContact CD2-CE2 4.21Å; Q236-Y238 HydrophobicContact CB-CE2 3.68Å; Q236-Y238 PolarHBondContact OE1-OH 3.21Å; Y238-T244 CarbonylContact O-C 3.55Å; Y238-T244 WeakPolarHBondContact O-CA 3.45Å; Y238-K245 PolarHBondContact N-O 2.67Å; Y238-K245 PolarHBondContact O-N 3.26Å; Y238-I247 HydrophobicContact CE2-CD1 4.17Å; Y238-I247 HydrophobicContact CE2-CG1 4.37Å; Y238-I286 CarbonylContact C-O 3.55Å; Y238-I286 WeakPolarHBondContact CA-O 3.39Å; Y238-I287 HydrophobicContact CD1-CD1 4.43Å; Y238-I287 HydrophobicContact CD1-CG1 3.95Å; Y238-I287 HydrophobicContact CD1-CG2 4.48Å; Y238-I287 HydrophobicContact CE1-CG1 4.41Å; Y238-I287 HydrophobicContact CE1-CG2 4.36Å
239L94.9Very high95.6Very high70 Ų7047.1 Ų47.137%0.36626%0.261SS..EExtended strand (participates in β ladder)trans-115.3122.9178.4-65.380.8000107.9T237 K243 T244 I286T237-L239 HydrophobicContact CG2-CD1 3.86Å; L239-K243 WeakPolarHBondContact CA-O 3.39Å; L239-T244 HydrophobicContact CG-CG2 4.5Å; L239-I286 PolarHBondContact N-O 2.85Å; L239-I286 WeakPolarHBondContact O-CB 3.41Å
240A93.9Very high95.6Very high2 Ų248.3 Ų48.32%0.01727%0.269CS..EExtended strand (participates in β ladder)trans-147.8132.9175.100000110.5A65 W67 V84 S86 G242 K243A65-A240 HydrophobicContact CB-CB 4.15Å; W67-A240 HydrophobicContact CE3-CB 4.34Å; W67-A240 HydrophobicContact CH2-CB 3.42Å; W67-A240 VanDerWaalsContact CH2-CB 3.42Å; W67-A240 VanDerWaalsContact CH2-N 3.35Å; W67-A240 HydrophobicContact CZ2-CB 4.01Å; W67-A240 HydrophobicContact CZ3-CB 3.57Å; V84-A240 VanDerWaalsContact CG1-C 3.42Å; V84-A240 HydrophobicContact CG1-CB 3.5Å; V84-A240 VanDerWaalsContact CG1-CB 3.5Å; V84-A240 WeakPolarHBondContact CG1-O 3.07Å; S86-A240 WeakPolarHBondContact OG-CA 3.37Å; A240-G242 PolarHBondContact O-N 2.82Å; A240-G242 VanDerWaalsContact O-N 3.13Å; A240-K243 PolarHBondContact N-O 3.47Å; A240-K243 WeakPolarHBondContact O-CB 3.38Å; A240-K243 PolarHBondContact O-N 3.02Å
241S88Confident95.5Very high77 Ų7750 Ų5054%0.53828%0.279SS..THydrogen-bonded Turntrans46.243.1-179.4-34.60000113.6F85 S86 K243F85-S241 PolarHBondContact O-OG 3.13Å; S86-S241 PolarHBondContact OG-N 2.88Å; S241-K243 PolarHBondContact O-N 3.29Å
242G86.8Confident95.5Very high87 Ų8750.8 Ų50.890%0.89729%0.286SS*.THydrogen-bonded Turntrans73.82.5-179.200000115.7A240A240-G242 PolarHBondContact O-N 2.82Å; A240-G242 VanDerWaalsContact O-N 3.13Å
243K91.1Very high95.4Very high114 Ų11455.6 Ų55.650%0.49631%0.311SS..EExtended strand (participates in β ladder)trans-104.1144.4175.8-64.1173.7-176.8171.30109.9W67 V84 L239 A240 S241W67-K243 WeakPolarHBondContact CH2-O 3.3Å; W67-K243 HydrophobicContact CZ2-CB 4.06Å; W67-K243 WeakPolarHBondContact CZ2-O 3.3Å; V84-K243 HydrophobicContact CG2-CD 3.83Å; L239-K243 WeakPolarHBondContact CA-O 3.39Å; A240-K243 PolarHBondContact N-O 3.47Å; A240-K243 WeakPolarHBondContact O-CB 3.38Å; A240-K243 PolarHBondContact O-N 3.02Å; S241-K243 PolarHBondContact O-N 3.29Å
244T94.5Very high95.4Very high84 Ų8456.1 Ų56.152%0.51532%0.316SS..EExtended strand (participates in β ladder)trans-115.5133.3179.2-54.20000110.8T237 Y238 L239T237-T244 HydrophobicContact CG2-CG2 3.44Å; T237-T244 VanDerWaalsContact CG2-CG2 3.44Å; Y238-T244 CarbonylContact O-C 3.55Å; Y238-T244 WeakPolarHBondContact O-CA 3.45Å; L239-T244 HydrophobicContact CG-CG2 4.5Å
245K94.8Very high95.3Very high96 Ų9661.8 Ų61.842%0.41734%0.337SS..EExtended strand (participates in β ladder)trans-119.2131.9168.8-75.5-69.4-174.1-178.40108.9W67 Y135 Y238W67-K245 HydrophobicContact CD2-CB 4.5Å; W67-K245 HydrophobicContact CD2-CG 3.81Å; W67-K245 VanDerWaalsContact CE2-CG 3.47Å; W67-K245 HydrophobicContact CE3-CG 4.37Å; W67-K245 HydrophobicContact CG-CG 4.2Å; W67-K245 HydrophobicContact CH2-CB 4.29Å; W67-K245 HydrophobicContact CH2-CG 4.22Å; W67-K245 HydrophobicContact CZ2-CB 4.26Å; W67-K245 HydrophobicContact CZ2-CG 3.7Å; W67-K245 HydrophobicContact CZ3-CB 4.5Å; Y135-K245 HydrophobicContact CD2-CB 4.08Å; Y135-K245 HydrophobicContact CE2-CB 4.41Å; Y238-K245 PolarHBondContact N-O 2.67Å; Y238-K245 PolarHBondContact O-N 3.26Å
246T96.3Very high95.2Very high83 Ų8360.6 Ų60.651%0.50933%0.331SS..EExtended strand (participates in β ladder)trans-123.2133.9178.4-55.10000109.6T235 Q236T235-T246 HydrophobicContact CG2-CG2 3.33Å; Q236-T246 CarbonylContact O-C 3.59Å; Q236-T246 VanDerWaalsContact O-CA 3.3Å; Q236-T246 WeakPolarHBondContact O-CA 3.32Å
247I96.4Very high95.1Very high29 Ų2965.8 Ų65.815%0.14936%0.359CS..EExtended strand (participates in β ladder)trans-121139.3171.7-49.5176.7000108K134 Y135 T235 Q236 Y238 H249K134-I247 HydrophobicContact CB-CD1 3.52Å; K134-I247 HydrophobicContact CD-CD1 3.61Å; K134-I247 HydrophobicContact CG-CD1 4.13Å; Y135-I247 HydrophobicContact CD2-CD1 3.56Å; Y135-I247 HydrophobicContact CD2-CG1 3.96Å; Y135-I247 HydrophobicContact CE2-CD1 3.42Å; Y135-I247 VanDerWaalsContact CE2-CD1 3.42Å; Y135-I247 HydrophobicContact CE2-CG1 3.68Å; T235-I247 CarbonylContact C-O 3.57Å; T235-I247 WeakPolarHBondContact CA-O 3.2Å; Q236-I247 PolarHBondContact N-O 3.04Å; Q236-I247 PolarHBondContact O-N 2.84Å; Y238-I247 HydrophobicContact CE2-CD1 4.17Å; Y238-I247 HydrophobicContact CE2-CG1 4.37Å; I247-H249 WeakPolarHBondContact CG2-NE2 3.42Å
248R96.8Very high95.1Very high98 Ų9869.7 Ų69.737%0.3738%0.375SS..EExtended strand (participates in β ladder)trans-121.4126.7178.5-172.6178.8173.8168.97.5110.2F233 Q234 E308F233-R248 HydrophobicContact CB-CG 4.14Å; F233-R248 HydrophobicContact CD1-CG 3.88Å; F233-R248 HydrophobicContact CG-CG 4.35Å; F233-R248 VanDerWaalsContact CG-NH2 3.29Å; Q234-R248 CarbonylContact O-C 3.54Å; Q234-R248 WeakPolarHBondContact O-CA 3.3Å; R248-E308 IonicContact CZ-OE1 3.38Å; R248-E308 IonicContact NH1-OE1 2.68Å; R248-E308 PolarHBondContact NH1-OE1 2.8Å; R248-E308 IonicContact NH2-OE1 3.83Å; R248-E308 PolarHBondContact NH2-OE1 3.22Å
249H96Very high95.1Very high79 Ų7970 Ų7037%0.36638%0.377SS..EExtended strand (participates in β ladder)trans-116.6135.6179-64.1-79.5000110.3F233 Q234 I247F233-H249 CarbonylContact C-O 3.49Å; F233-H249 VanDerWaalsContact CA-O 3.25Å; F233-H249 WeakPolarHBondContact CA-O 3.3Å; Q234-H249 PolarHBondContact N-O 3.26Å; Q234-H249 PolarHBondContact O-N 3.32Å; I247-H249 WeakPolarHBondContact CG2-NE2 3.42Å
250M97.3Very high95.2Very high89 Ų8968.9 Ų68.944%0.43838%0.378SS..EExtended strand (participates in β ladder)trans-81.6120.8168.7-173.5-178.6-68.400108.4A231 F233 N253A231-M250 HydrophobicContact CB-CE 4.1Å; A231-M250 HydrophobicContact CB-CG 4.1Å; A231-M250 HydrophobicContact CB-SD 4.17Å; F233-M250 HydrophobicContact CD1-CB 4.02Å; F233-M250 HydrophobicContact CE1-CB 3.74Å; F233-M250 HydrophobicContact CE1-CE 3.77Å; F233-M250 HydrophobicContact CE1-CG 4.13Å; F233-M250 HydrophobicContact CE2-CE 4.44Å; F233-M250 HydrophobicContact CZ-CE 3.5Å; F233-M250 HydrophobicContact CZ-CG 4.46Å; M250-N253 HydrophobicContact SD-CB 3.88Å
251V97Very high95.3Very high36 Ų3672.1 Ų72.122%0.21840%0.4CS..EExtended strand (participates in β ladder)trans-92.8-47.4-174.9171.30000111I232 Q234 P275 V277 Y291I232-V251 HydrophobicContact CB-CB 4.28Å; I232-V251 HydrophobicContact CG2-CB 4.16Å; I232-V251 PolarHBondContact O-N 3.45Å; Q234-V251 HydrophobicContact CB-CG2 3.68Å; V251-P275 HydrophobicContact CG1-CG 3.38Å; V251-V277 HydrophobicContact CG1-CG1 3.58Å; V251-Y291 HydrophobicContact CG2-CE1 4.25Å
252A97.4Very high95.6Very high16 Ų1671.4 Ų71.413%0.13241%0.405CS..EExtended strand (participates in β ladder)trans-147.5154.2179.600000109.2A231 I232 L272 P275A231-A252 CarbonylContact C-O 3.53Å; A231-A252 WeakPolarHBondContact CA-O 3.29Å; A231-A252 WeakPolarHBondContact CB-O 3.42Å; I232-A252 HydrophobicContact CD1-CB 4.34Å; I232-A252 PolarHBondContact N-O 2.82Å; A252-L272 HydrophobicContact CB-CD1 3.99Å; A252-P275 HydrophobicContact CB-CG 4.49Å
253N97.7Very high96.1Very high102 Ų10269.6 Ų69.655%0.54538%0.379SS..EExtended strand (participates in β ladder)trans-146.1157.5173.670.370.1000111.9A230 A231 M250A230-N253 CarbonylContact O-C 3.54Å; A230-N253 WeakPolarHBondContact O-CA 3.23Å; A230-N253 WeakPolarHBondContact O-CB 3.46Å; A231-N253 HydrophobicContact CB-CB 3.86Å; M250-N253 HydrophobicContact SD-CB 3.88Å
254V96.8Very high96.4Very high32 Ų3268.9 Ų68.919%0.19438%0.384CS..EExtended strand (participates in β ladder)trans-137.5145.5171.465.40000109.2K229 A230 K270 L272K229-V254 WeakPolarHBondContact CA-O 3.3Å; A230-V254 HydrophobicContact CB-CG1 3.82Å; A230-V254 PolarHBondContact N-O 3.04Å; A230-V254 PolarHBondContact O-N 3Å; V254-K270 VanDerWaalsContact CG2-CE 3.48Å; V254-L272 HydrophobicContact CB-CD1 4.09Å; V254-L272 HydrophobicContact CG1-CB 4.37Å; V254-L272 HydrophobicContact CG1-CD1 4.21Å; V254-L272 HydrophobicContact CG1-CD2 4.4Å
255R96.3Very high96.5Very high137 Ų13766.7 Ų66.752%0.51737%0.369SS..EExtended strand (participates in β ladder)trans-110.5137.6179.3-177.8180176.7-174.42.4110V227 K229 H258 K270V227-R255 HydrophobicContact CG1-CG 4.02Å; K229-R255 HydrophobicContact CG-CG 4.34Å; R255-H258 PolarHBondContact NH2-CE1 3.3Å; R255-H258 PolarHBondContact NH2-NE2 2.89Å; R255-K270 PolarHBondContact O-NZ 2.76Å
256G95.6Very high96.6Very high5 Ų565.7 Ų65.75%0.05237%0.371CS..  trans-91.6177.9169.200000112.6P228P228-G256 PolarHBondContact O-N 3.38Å
257N96Very high96.7Very high123 Ų12362.2 Ų62.266%0.65835%0.349SS*.  trans-72.8162.2177.2-66.3-31.2000110.8P228P228-N257 WeakPolarHBondContact CD-O 3.33Å
258H97.3Very high96.7Very high104 Ų10467.2 Ų67.248%0.48138%0.376SS..  trans-69.3141.2172.5-5884.1000109.4L225 I226 V227 R255L225-H258 HydrophobicContact CD1-CB 3.89Å; L225-H258 HydrophobicContact CD2-CB 4.23Å; L225-H258 HydrophobicContact CG-CB 4.06Å; I226-H258 WeakPolarHBondContact O-CA 3.44Å; V227-H258 WeakPolarHBondContact CG2-CD2 3.18Å; R255-H258 PolarHBondContact NH2-CE1 3.3Å; R255-H258 PolarHBondContact NH2-NE2 2.89Å
259I97.3Very high96.6Very high6 Ų663.6 Ų63.63%0.03137%0.369CS..BIsolated β-bridgetrans-114.7118.3177.9-49.1171.7000107.9I218 N220 I226 P228 D265I218-I259 HydrophobicContact CB-CD1 3.85Å; I218-I259 HydrophobicContact CG2-CD1 3.45Å; I218-I259 VanDerWaalsContact CG2-CD1 3.45Å; N220-I259 HydrophobicContact CB-CG2 3.93Å; N220-I259 PolarHBondContact ND2-O 2.81Å; I226-I259 HydrophobicContact CD1-CB 4.19Å; I226-I259 HydrophobicContact CD1-CD1 4.09Å; I226-I259 HydrophobicContact CG1-CB 3.71Å; I226-I259 HydrophobicContact CG1-CD1 4.28Å; I226-I259 HydrophobicContact CG1-CG1 4.35Å; I226-I259 PolarHBondContact N-O 2.85Å; I226-I259 PolarHBondContact O-N 2.91Å; P228-I259 HydrophobicContact CG-CD1 3.89Å; P228-I259 HydrophobicContact CG-CG1 4.4Å; I259-D265 HydrophobicContact CD1-CB 3.34Å; I259-D265 HydrophobicContact CG1-CB 3.73Å
260A97.1Very high96.6Very high48 Ų4862.7 Ų62.740%0.39736%0.364SS..  trans-69.7166.1179.200000111.8N220 L225 S263N220-A260 VanDerWaalsContact ND2-C 3.32Å; N220-A260 PolarHBondContact ND2-O 2.86Å; L225-A260 HydrophobicContact CD1-CB 4.41Å; A260-S263 WeakPolarHBondContact O-CB 3.48Å; A260-S263 PolarHBondContact O-N 2.84Å
261S95.4Very high96.5Very high69 Ų6962.8 Ų62.848%0.48337%0.37SS..THydrogen-bonded Turntrans-58137.7173.5176.30000110.7S222 S263S222-S261 WeakPolarHBondContact O-CA 3.5Å; S222-S261 VanDerWaalsContact O-CB 3.28Å; S222-S261 WeakPolarHBondContact O-CB 3.45Å; S222-S261 PolarHBondContact O-OG 2.83Å; S261-S263 PolarHBondContact O-N 2.83Å
262G94.4Very high96.5Very high62 Ų6261.5 Ų61.564%0.63936%0.361SS*.THydrogen-bonded Turntrans69.311.6-179.700000114.8N220N220-G262 WeakPolarHBondContact O-CA 3.45Å; N220-G262 PolarHBondContact O-N 2.86Å
263S97.1Very high96.5Very high49 Ų4967.5 Ų67.534%0.34339%0.385SS..EExtended strand (participates in β ladder)trans-109.1159.7-177.2-54.90000112N220 A260 S261N220-S263 WeakPolarHBondContact CB-O 3.39Å; N220-S263 PolarHBondContact N-O 2.68Å; A260-S263 WeakPolarHBondContact O-CB 3.48Å; A260-S263 PolarHBondContact O-N 2.84Å; S261-S263 PolarHBondContact O-N 2.83Å
264T96.6Very high96.5Very high99 Ų9962.7 Ų62.761%0.60736%0.359SS*.EExtended strand (participates in β ladder)trans-116.2156173.7540000110.9I218 E219I218-T264 CarbonylContact O-C 3.53Å; I218-T264 WeakPolarHBondContact O-CA 3.41Å; I218-T264 WeakPolarHBondContact O-CB 3.05Å; E219-T264 HydrophobicContact CB-CG2 4.04Å; E219-T264 HydrophobicContact CG-CG2 3.83Å
265D97.1Very high96.5Very high38 Ų3863.3 Ų63.320%0.20336%0.363CS..EExtended strand (participates in β ladder)trans-135.5144.1169.5-173.428.4000108.8I218 I259 W267I218-D265 HydrophobicContact CB-CB 4.5Å; I218-D265 HydrophobicContact CD1-CB 4.47Å; I218-D265 PolarHBondContact N-O 2.83Å; I218-D265 PolarHBondContact O-N 2.85Å; I259-D265 HydrophobicContact CD1-CB 3.34Å; I259-D265 HydrophobicContact CG1-CB 3.73Å; D265-W267 PolarHBondContact OD2-NE1 2.88Å; D265-W267 VanDerWaalsContact OD2-NE1 3.13Å
266T97.3Very high96.4Very high76 Ų7662.7 Ų62.747%0.46638%0.377SS..EExtended strand (participates in β ladder)trans-128.4126.6178.753.10000110.2A216 E217A216-T266 CarbonylContact O-C 3.51Å; A216-T266 WeakPolarHBondContact O-CA 3.34Å; E217-T266 HydrophobicContact CG-CG2 4.32Å
267W97.6Very high96.4Very high10 Ų1063.9 Ų63.94%0.03838%0.383CS..EExtended strand (participates in β ladder)trans-95.7113.3170.6-65.31.8000107.7I214 Y215 A216 P228 A230 D265 K270 V295I214-W267 HydrophobicContact CB-CE3 4.42Å; I214-W267 HydrophobicContact CG2-CE3 3.94Å; I214-W267 HydrophobicContact CG2-CZ3 4.31Å; Y215-W267 CarbonylContact C-O 3.5Å; Y215-W267 WeakPolarHBondContact CA-O 3.38Å; A216-W267 HydrophobicContact CB-CB 4.06Å; A216-W267 HydrophobicContact CB-CD2 4.24Å; A216-W267 HydrophobicContact CB-CE3 4.04Å; A216-W267 HydrophobicContact CB-CG 4.29Å; A216-W267 PolarHBondContact N-O 2.82Å; A216-W267 PolarHBondContact O-N 2.79Å; P228-W267 HydrophobicContact CB-CH2 4.26Å; P228-W267 HydrophobicContact CB-CZ2 3.67Å; P228-W267 HydrophobicContact CG-CZ2 3.84Å; A230-W267 HydrophobicContact CB-CH2 4.14Å; A230-W267 HydrophobicContact CB-CZ3 3.75Å; D265-W267 PolarHBondContact OD2-NE1 2.88Å; D265-W267 VanDerWaalsContact OD2-NE1 3.13Å; W267-K270 HydrophobicContact CB-CB 3.93Å; W267-K270 HydrophobicContact CD2-CB 4.2Å; W267-K270 HydrophobicContact CD2-CD 3.48Å; W267-K270 VanDerWaalsContact CD2-CD 3.48Å; W267-K270 HydrophobicContact CD2-CG 4.48Å; W267-K270 HydrophobicContact CE3-CB 4.23Å; W267-K270 HydrophobicContact CE3-CD 3.73Å; W267-K270 HydrophobicContact CG-CB 4.08Å; W267-K270 HydrophobicContact CG-CD 3.91Å; W267-K270 HydrophobicContact CH2-CD 4.18Å; W267-K270 HydrophobicContact CZ2-CD 3.97Å; W267-K270 HydrophobicContact CZ3-CD 4.07Å; W267-V295 HydrophobicContact CZ3-CG1 4.19Å
268N95.9Very high96.3Very high134 Ų13460.1 Ų60.172%0.71737%0.365SS*.EExtended strand (participates in β ladder)trans-105.981177.2-68.3-31.3000109.1
269G94.8Very high96.2Very high21 Ų2156 Ų5622%0.21635%0.347CS..EExtended strand (participates in β ladder)trans77.635.1-178.900000113.7I214 T271I214-G269 CarbonylContact O-C 3.6Å; I214-G269 WeakPolarHBondContact O-CA 3.21Å; I214-G269 PolarHBondContact O-N 2.8Å; G269-T271 PolarHBondContact O-N 2.93Å; G269-T271 VanDerWaalsContact O-N 3.11Å
270K96.1Very high96.2Very high61 Ų6155.9 Ų55.927%0.26535%0.347SS..EExtended strand (participates in β ladder)trans-62.1116.8175.5-172.2-179.5-175.884.70109.1I214 V254 R255 W267I214-K270 VanDerWaalsContact CB-O 3.31Å; I214-K270 WeakPolarHBondContact CB-O 3.34Å; I214-K270 WeakPolarHBondContact CG1-O 3.48Å; I214-K270 PolarHBondContact N-O 2.79Å; I214-K270 PolarHBondContact O-N 2.94Å; V254-K270 VanDerWaalsContact CG2-CE 3.48Å; R255-K270 PolarHBondContact O-NZ 2.76Å; W267-K270 HydrophobicContact CB-CB 3.93Å; W267-K270 HydrophobicContact CD2-CB 4.2Å; W267-K270 HydrophobicContact CD2-CD 3.48Å; W267-K270 VanDerWaalsContact CD2-CD 3.48Å; W267-K270 HydrophobicContact CD2-CG 4.48Å; W267-K270 HydrophobicContact CE3-CB 4.23Å; W267-K270 HydrophobicContact CE3-CD 3.73Å; W267-K270 HydrophobicContact CG-CB 4.08Å; W267-K270 HydrophobicContact CG-CD 3.91Å; W267-K270 HydrophobicContact CH2-CD 4.18Å; W267-K270 HydrophobicContact CZ2-CD 3.97Å; W267-K270 HydrophobicContact CZ3-CD 4.07Å
271T96.4Very high96.2Very high91 Ų9153.8 Ų53.856%0.55833%0.329SS*.EExtended strand (participates in β ladder)trans-83.3137.2-17155.70000112.9A211 I212 G269A211-T271 HydrophobicContact CB-CG2 4.45Å; I212-T271 WeakPolarHBondContact O-CA 3.49Å; G269-T271 PolarHBondContact O-N 2.93Å; G269-T271 VanDerWaalsContact O-N 3.11Å
272L97.4Very high95.8Very high9 Ų953.7 Ų53.75%0.04732%0.323CS..EExtended strand (participates in β ladder)trans-125.1113.1168.8179.256.2000110I212 I214 A230 I232 A252 V254 L293I212-L272 PolarHBondContact N-O 2.81Å; I212-L272 PolarHBondContact O-N 3.06Å; I214-L272 HydrophobicContact CD1-CB 3.92Å; I214-L272 HydrophobicContact CD1-CD2 4.3Å; A230-L272 HydrophobicContact CB-CD2 4.46Å; I232-L272 HydrophobicContact CD1-CD2 4.19Å; I232-L272 HydrophobicContact CD1-CG 4.14Å; I232-L272 HydrophobicContact CG1-CD2 3.72Å; I232-L272 HydrophobicContact CG1-CG 4.23Å; A252-L272 HydrophobicContact CB-CD1 3.99Å; V254-L272 HydrophobicContact CB-CD1 4.09Å; V254-L272 HydrophobicContact CG1-CB 4.37Å; V254-L272 HydrophobicContact CG1-CD1 4.21Å; V254-L272 HydrophobicContact CG1-CD2 4.4Å; L272-L293 HydrophobicContact CD2-CD1 3.86Å
273K97.1Very high95.5Very high142 Ų14255.9 Ų55.962%0.61732%0.32SS*.EExtended strand (participates in β ladder)trans-75135-178.1-170.7174-178.8175.60111.7G209 P275G209-K273 VanDerWaalsContact O-CE 3.31Å; G209-K273 WeakPolarHBondContact O-CE 3.19Å; K273-P275 WeakPolarHBondContact O-CD 3.43Å
274I97.3Very high95.2Very high1 Ų154.1 Ų54.11%0.00531%0.308CS..  trans-83.5115.3173.5-58.1170.4000108Y206 C207 G209 E210 I212 I232 V277 I313Y206-I274 HydrophobicContact CG-CD1 4.11Å; C207-I274 WeakPolarHBondContact O-CD1 3.38Å; G209-I274 WeakPolarHBondContact CA-O 3.12Å; G209-I274 PolarHBondContact N-O 2.82Å; E210-I274 WeakPolarHBondContact O-CG1 3.49Å; E210-I274 PolarHBondContact O-N 3.44Å; I212-I274 HydrophobicContact CD1-CD1 3.94Å; I212-I274 HydrophobicContact CD1-CG1 4.01Å; I212-I274 HydrophobicContact CG1-CD1 3.87Å; I212-I274 HydrophobicContact CG1-CG1 4.05Å; I232-I274 HydrophobicContact CD1-CG1 3.78Å; I274-V277 HydrophobicContact CG2-CG2 4.23Å; I274-I313 HydrophobicContact CG2-CD1 3.98Å
275P96.8Very high94.9Very high44 Ų4453.8 Ų53.829%0.28631%0.308SS..  trans-70.8165.817331.7-34000110.2N208 V251 A252 K273 V277N208-P275 PolarHBondContact OD1-O 2.78Å; V251-P275 HydrophobicContact CG1-CG 3.38Å; A252-P275 HydrophobicContact CB-CG 4.49Å; K273-P275 WeakPolarHBondContact O-CD 3.43Å; P275-V277 HydrophobicContact CG-CG1 4.19Å; P275-V277 PolarHBondContact O-N 2.99Å
276P94.9Very high94.9Very high125 Ų12552.7 Ų52.781%0.81230%0.302SS*.SBendtrans-57.5111.5173.3-2334.2000111
277V95.3Very high94.8Very high29 Ų2949.1 Ų49.118%0.17628%0.28CS..  trans-134.1164.6177.2-66.60000111N208 V251 I274 P275 Y291 I313N208-V277 PolarHBondContact ND2-O 2.82Å; N208-V277 VanDerWaalsContact OD1-CG2 3.27Å; N208-V277 WeakPolarHBondContact OD1-CG2 3.38Å; N208-V277 PolarHBondContact OD1-N 2.86Å; N208-V277 PolarHBondContact OD1-O 3.17Å; V251-V277 HydrophobicContact CG1-CG1 3.58Å; I274-V277 HydrophobicContact CG2-CG2 4.23Å; P275-V277 HydrophobicContact CG-CG1 4.19Å; P275-V277 PolarHBondContact O-N 2.99Å; V277-Y291 HydrophobicContact CG2-CE1 4.03Å; V277-Y291 WeakPolarHBondContact CG2-OH 3.34Å; V277-I313 HydrophobicContact CG2-CD1 3.48Å; V277-I313 VanDerWaalsContact CG2-CD1 3.48Å; V277-I313 HydrophobicContact CG2-CG2 4.39Å
278T94Very high94.8Very high45 Ų4554.2 Ų54.228%0.27630%0.299SS..PPolyproline II helixtrans-61.5137.4174.4-460000110.1T129 F131 I281 Y291T129-T278 HydrophobicContact CG2-CG2 4.22Å; F131-T278 HydrophobicContact CD2-CG2 4.11Å; T278-I281 HydrophobicContact CG2-CD1 4.41Å; T278-Y291 PolarHBondContact O-OH 2.96Å
279P95.3Very high94.9Very high17 Ų1747.8 Ų47.811%0.1127%0.265CS..PPolyproline II helixtrans-53.4159.9169.6-25.134.3000112.4I281 T315P279-I281 PolarHBondContact O-N 2.93Å; P279-T315 HydrophobicContact CB-CG2 3.85Å; P279-T315 HydrophobicContact CG-CG2 3.48Å; P279-T315 VanDerWaalsContact CG-CG2 3.48Å
280S96.8Very high94.9Very high3 Ų348.5 Ų48.52%0.02126%0.264CS..PPolyproline II helixtrans-59134.6172.2-770000110.8V289 Y291 I313S280-V289 WeakPolarHBondContact CA-O 3.36Å; S280-Y291 WeakPolarHBondContact OG-CD2 3.47Å; S280-I313 PolarHBondContact N-O 2.93Å; S280-I313 PolarHBondContact OG-N 3.01Å
281I96.3Very high95Very high4 Ų445.9 Ų45.92%0.02125%0.252CS..BIsolated β-bridgetrans-111.4101.9176.8-53.7179.4000106.8F131 I138 T278 P279 C284 R288 V289F131-I281 HydrophobicContact CB-CD1 3.46Å; F131-I281 VanDerWaalsContact CB-CD1 3.46Å; F131-I281 HydrophobicContact CD1-CD1 4.35Å; F131-I281 HydrophobicContact CD2-CD1 4.06Å; F131-I281 HydrophobicContact CG-CD1 3.7Å; I138-I281 HydrophobicContact CD1-CD1 4.19Å; I138-I281 HydrophobicContact CD1-CG2 4.11Å; T278-I281 HydrophobicContact CG2-CD1 4.41Å; P279-I281 PolarHBondContact O-N 2.93Å; I281-C284 HydrophobicContact CG2-CB 3.85Å; I281-R288 WeakPolarHBondContact O-CA 3.46Å; I281-R288 WeakPolarHBondContact O-CG 3.26Å; I281-V289 HydrophobicContact CB-CB 4.02Å; I281-V289 HydrophobicContact CB-CG2 4.17Å; I281-V289 HydrophobicContact CD1-CB 4.3Å; I281-V289 HydrophobicContact CD1-CG2 3.77Å; I281-V289 HydrophobicContact CG1-CB 4.03Å; I281-V289 HydrophobicContact CG1-CG2 4.06Å; I281-V289 PolarHBondContact N-O 3.43Å; I281-V289 VanDerWaalsContact N-O 3.13Å; I281-V289 PolarHBondContact O-N 2.92Å
282L88.4Confident95.1Very high68 Ų6842.1 Ų42.136%0.35623%0.23SC..  trans-106-33.8-173.3-56179.3000112.2C284 V312L282-C284 PolarHBondContact O-N 2.84Å; L282-V312 HydrophobicContact CD1-CG1 4.46Å
283D87.1Confident95.1Very high107 Ų10741.7 Ų41.757%0.57223%0.228SC*.SBendtrans-97.521-169.4-54.4-49.3000114
284C91.6Very high95.2Very high13 Ų1335 Ų359%0.08820%0.198CC..  trans-103.9135.3175.1178.90000111.6Y90 V128 I138 I281 L282 I287Y90-C284 WeakPolarHBondContact OH-CA 3.49Å; Y90-C284 PolarHBondContact OH-SG 2.81Å; V128-C284 HydrophobicContact CB-CB 4.3Å; V128-C284 HydrophobicContact CG1-CB 3.75Å; I138-C284 HydrophobicContact CD1-CB 4.27Å; I281-C284 HydrophobicContact CG2-CB 3.85Å; L282-C284 PolarHBondContact O-N 2.84Å; C284-I287 WeakPolarHBondContact CB-O 3.11Å
285C90.6Very high95.2Very high92 Ų9234.9 Ų34.962%0.62220%0.198SC*.SBendtrans-74-29.5-172.6-53.80000113.5V88 Y90V88-C285 HydrophobicContact CG2-CB 4.45Å; Y90-C285 PolarHBondContact OH-N 3.09Å
286I95.3Very high95.2Very high15 Ų1534.2 Ų34.28%0.07719%0.19CC..SBendtrans-116.9-15.2-172.359.9161.6000114.2A63 A65 V88 Y238 L239A63-I286 HydrophobicContact CB-CD1 3.72Å; A63-I286 HydrophobicContact CB-CG1 3.8Å; A63-I286 WeakPolarHBondContact O-CD1 3.21Å; A65-I286 HydrophobicContact CB-CD1 4.02Å; V88-I286 HydrophobicContact CG2-CD1 4.18Å; V88-I286 HydrophobicContact CG2-CG1 4.09Å; V88-I286 HydrophobicContact CG2-CG2 3.72Å; Y238-I286 CarbonylContact C-O 3.55Å; Y238-I286 WeakPolarHBondContact CA-O 3.39Å; L239-I286 PolarHBondContact N-O 2.85Å; L239-I286 WeakPolarHBondContact O-CB 3.41Å
287I96.8Very high95.4Very high0 Ų028.2 Ų28.20%015%0.151CC..EExtended strand (participates in β ladder)trans-133.1128.9178.9-63.6171.4000108.3A65 F131 I138 T237 Y238 C284A65-I287 HydrophobicContact CB-CG1 4.48Å; F131-I287 HydrophobicContact CD1-CG2 3.82Å; F131-I287 HydrophobicContact CE1-CG2 3.94Å; I138-I287 HydrophobicContact CD1-CB 4.32Å; I138-I287 HydrophobicContact CD1-CG2 4.43Å; I138-I287 HydrophobicContact CG1-CD1 3.87Å; T237-I287 CarbonylContact O-C 3.49Å; T237-I287 WeakPolarHBondContact O-CA 3.24Å; Y238-I287 HydrophobicContact CD1-CD1 4.43Å; Y238-I287 HydrophobicContact CD1-CG1 3.95Å; Y238-I287 HydrophobicContact CD1-CG2 4.48Å; Y238-I287 HydrophobicContact CE1-CG1 4.41Å; Y238-I287 HydrophobicContact CE1-CG2 4.36Å; C284-I287 WeakPolarHBondContact CB-O 3.11Å
288R96.3Very high95.4Very high117 Ų11731.6 Ų31.644%0.44217%0.165SC..EExtended strand (participates in β ladder)trans-130.2136.8177-171.5176.7170.5-178.5-8.4110.3Q236 T237 I281 D290Q236-R288 CarbonylContact C-O 3.44Å; Q236-R288 WeakPolarHBondContact CA-O 3.42Å; T237-R288 PolarHBondContact N-O 2.94Å; T237-R288 PolarHBondContact O-N 2.95Å; I281-R288 WeakPolarHBondContact O-CA 3.46Å; I281-R288 WeakPolarHBondContact O-CG 3.26Å; R288-D290 VanDerWaalsContact CD-OD2 3.29Å; R288-D290 WeakPolarHBondContact CD-OD2 3.19Å; R288-D290 WeakPolarHBondContact CG-OD2 3.49Å; R288-D290 IonicContact CZ-OD1 2.68Å; R288-D290 VanDerWaalsContact CZ-OD1 3.24Å; R288-D290 IonicContact CZ-OD2 3.24Å; R288-D290 IonicContact NE-OD1 2.67Å; R288-D290 PolarHBondContact NE-OD1 3.18Å; R288-D290 IonicContact NE-OD2 2.85Å; R288-D290 PolarHBondContact NE-OD2 3.25Å; R288-D290 IonicContact NH2-OD1 3.08Å; R288-D290 PolarHBondContact NH2-OD1 3.31Å; R288-D290 IonicContact NH2-OD2 2.81Å
289V97.5Very high95.4Very high0 Ų029.5 Ų29.50%015%0.152CC..EExtended strand (participates in β ladder)trans-123.7103.6177.5-178.60000108.6F131 Q234 S280 I281 Y291F131-V289 HydrophobicContact CD1-CG2 4.39Å; F131-V289 HydrophobicContact CD2-CG2 4.21Å; F131-V289 HydrophobicContact CE1-CG2 4.1Å; F131-V289 HydrophobicContact CE2-CG2 3.91Å; F131-V289 HydrophobicContact CG-CG2 4.44Å; F131-V289 HydrophobicContact CZ-CG2 3.85Å; Q234-V289 HydrophobicContact CG-CG1 3.74Å; S280-V289 WeakPolarHBondContact CA-O 3.36Å; I281-V289 HydrophobicContact CB-CB 4.02Å; I281-V289 HydrophobicContact CB-CG2 4.17Å; I281-V289 HydrophobicContact CD1-CB 4.3Å; I281-V289 HydrophobicContact CD1-CG2 3.77Å; I281-V289 HydrophobicContact CG1-CB 4.03Å; I281-V289 HydrophobicContact CG1-CG2 4.06Å; I281-V289 PolarHBondContact N-O 3.43Å; I281-V289 VanDerWaalsContact N-O 3.13Å; I281-V289 PolarHBondContact O-N 2.92Å; V289-Y291 HydrophobicContact CG1-CE2 3.94Å
290D96.4Very high95.3Very high36 Ų3631.6 Ų31.619%0.19317%0.166CC..EExtended strand (participates in β ladder)trans-107156.6179.1-63-67.2000111.4Q234 T235 R288Q234-D290 CarbonylContact C-O 3.57Å; Q234-D290 WeakPolarHBondContact CA-O 3.05Å; T235-D290 PolarHBondContact N-O 2.92Å; T235-D290 PolarHBondContact O-N 2.93Å; R288-D290 VanDerWaalsContact CD-OD2 3.29Å; R288-D290 WeakPolarHBondContact CD-OD2 3.19Å; R288-D290 WeakPolarHBondContact CG-OD2 3.49Å; R288-D290 IonicContact CZ-OD1 2.68Å; R288-D290 VanDerWaalsContact CZ-OD1 3.24Å; R288-D290 IonicContact CZ-OD2 3.24Å; R288-D290 IonicContact NE-OD1 2.67Å; R288-D290 PolarHBondContact NE-OD1 3.18Å; R288-D290 IonicContact NE-OD2 2.85Å; R288-D290 PolarHBondContact NE-OD2 3.25Å; R288-D290 IonicContact NH2-OD1 3.08Å; R288-D290 PolarHBondContact NH2-OD1 3.31Å; R288-D290 IonicContact NH2-OD2 2.81Å
291Y97.9Very high94.9Very high6 Ų635.3 Ų35.32%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-123151173.7-67.1-91.4000111.4I232 F233 Q234 V251 V277 T278 S280 V289 L311 I313I232-Y291 HydrophobicContact CG2-CD1 4.11Å; F233-Y291 CarbonylContact O-C 3.53Å; F233-Y291 WeakPolarHBondContact O-CA 3.4Å; Q234-Y291 HydrophobicContact CB-CD1 3.89Å; Q234-Y291 HydrophobicContact CB-CE1 3.51Å; Q234-Y291 HydrophobicContact CG-CD1 4.17Å; Q234-Y291 HydrophobicContact CG-CE1 3.55Å; Q234-Y291 HydrophobicContact CG-CE2 4.43Å; Q234-Y291 PolarHBondContact NE2-OH 2.91Å; V251-Y291 HydrophobicContact CG2-CE1 4.25Å; V277-Y291 HydrophobicContact CG2-CE1 4.03Å; V277-Y291 WeakPolarHBondContact CG2-OH 3.34Å; T278-Y291 PolarHBondContact O-OH 2.96Å; S280-Y291 WeakPolarHBondContact OG-CD2 3.47Å; V289-Y291 HydrophobicContact CG1-CE2 3.94Å; Y291-L311 PolarHBondContact O-N 2.86Å; Y291-L311 VanDerWaalsContact O-O 3.05Å; Y291-I313 HydrophobicContact CD1-CD1 3.49Å; Y291-I313 VanDerWaalsContact CD1-CD1 3.49Å; Y291-I313 HydrophobicContact CD1-CG1 4.24Å; Y291-I313 HydrophobicContact CD2-CB 4.05Å; Y291-I313 HydrophobicContact CD2-CD1 3.71Å; Y291-I313 HydrophobicContact CD2-CG1 3.66Å; Y291-I313 HydrophobicContact CE1-CD1 3.51Å; Y291-I313 HydrophobicContact CE2-CB 4.03Å; Y291-I313 HydrophobicContact CE2-CD1 3.73Å; Y291-I313 HydrophobicContact CE2-CG1 3.97Å; Y291-I313 HydrophobicContact CG-CD1 3.58Å; Y291-I313 HydrophobicContact CG-CG1 3.8Å
292S97.8Very high94.6Very high12 Ų1236.9 Ų36.98%0.08422%0.218CC..EExtended strand (participates in β ladder)trans-143.8141.6172.855.80000110.8I232 F233 L309I232-S292 WeakPolarHBondContact CA-O 3.38Å; F233-S292 PolarHBondContact N-O 2.81Å; F233-S292 PolarHBondContact O-N 2.86Å; S292-L309 CarbonylContact C-O 3.49Å; S292-L309 VanDerWaalsContact CA-O 3.3Å; S292-L309 WeakPolarHBondContact CA-O 3.46Å
293L98.4Very high94.7Very high0 Ų042 Ų420%024%0.237CC..EExtended strand (participates in β ladder)trans-89.8114165.5177.365.9000108I201 I212 I214 A230 I232 L272 V295 L309 L311I201-L293 HydrophobicContact CG2-CD2 3.54Å; I212-L293 HydrophobicContact CG2-CD2 4.34Å; I214-L293 HydrophobicContact CD1-CD1 3.89Å; I214-L293 HydrophobicContact CD1-CD2 3.95Å; I214-L293 HydrophobicContact CD1-CG 4.5Å; I214-L293 HydrophobicContact CG1-CD2 3.85Å; I214-L293 HydrophobicContact CG2-CD2 4.42Å; A230-L293 HydrophobicContact CB-CD1 4.3Å; I232-L293 HydrophobicContact CG1-CD1 4.37Å; L272-L293 HydrophobicContact CD2-CD1 3.86Å; L293-V295 HydrophobicContact CD2-CG2 4.44Å; L293-V295 HydrophobicContact CG-CG2 4.34Å; L293-L309 HydrophobicContact CB-CB 4.31Å; L293-L309 HydrophobicContact CD2-CD1 4.09Å; L293-L309 PolarHBondContact N-O 3.29Å; L293-L309 PolarHBondContact O-N 3.26Å; L293-L311 HydrophobicContact CB-CD1 3.83Å; L293-L311 HydrophobicContact CB-CD2 4.32Å; L293-L311 HydrophobicContact CB-CG 4.06Å
294A98.1Very high95Very high0 Ų042.1 Ų42.10%023%0.233CC..EExtended strand (participates in β ladder)trans-96.6120.3172.100000110.4A230 A231 F233 Y296 M306 L307 E308A230-A294 CarbonylContact C-O 3.51Å; A230-A294 WeakPolarHBondContact CA-O 3.23Å; A231-A294 PolarHBondContact N-O 2.89Å; A231-A294 PolarHBondContact O-N 2.98Å; F233-A294 HydrophobicContact CD2-CB 3.63Å; F233-A294 HydrophobicContact CE2-CB 3.57Å; A294-Y296 HydrophobicContact CB-CD1 4.3Å; A294-M306 HydrophobicContact CB-CE 3.39Å; A294-L307 CarbonylContact C-O 3.56Å; A294-L307 WeakPolarHBondContact CA-O 3.34Å; A294-E308 HydrophobicContact CB-CG 4.35Å
295V98.1Very high95.2Very high0 Ų041.7 Ų41.70%023%0.23CC..EExtended strand (participates in β ladder)trans-103.4122.4166.6-172.40000107.3L197 A199 I214 A230 W267 L293 L307L197-V295 HydrophobicContact CD1-CG1 3.91Å; L197-V295 HydrophobicContact CD2-CB 4.4Å; L197-V295 HydrophobicContact CD2-CG1 4.11Å; L197-V295 WeakPolarHBondContact CD2-O 3.36Å; A199-V295 HydrophobicContact CB-CB 3.99Å; A199-V295 HydrophobicContact CB-CG1 4.34Å; A199-V295 HydrophobicContact CB-CG2 3.84Å; I214-V295 HydrophobicContact CG2-CG2 4.12Å; A230-V295 HydrophobicContact CB-CG2 4.29Å; W267-V295 HydrophobicContact CZ3-CG1 4.19Å; L293-V295 HydrophobicContact CD2-CG2 4.44Å; L293-V295 HydrophobicContact CG-CG2 4.34Å; V295-L307 PolarHBondContact N-O 3.13Å; V295-L307 PolarHBondContact O-N 2.86Å
296Y97.4Very high95.5Very high29 Ų2939 Ų3911%0.11421%0.208CC..EExtended strand (participates in β ladder)trans-145.5149.7-173.865-85.1000113K229 A231 A294 K304 L305K229-Y296 HydrophobicContact CB-CD1 4.46Å; K229-Y296 HydrophobicContact CB-CD2 4.3Å; K229-Y296 HydrophobicContact CB-CE1 3.96Å; K229-Y296 HydrophobicContact CB-CE2 3.8Å; K229-Y296 HydrophobicContact CD-CE2 3.85Å; K229-Y296 HydrophobicContact CG-CE2 4.3Å; K229-Y296 PolarHBondContact N-O 2.94Å; K229-Y296 PolarHBondContact O-N 2.94Å; K229-Y296 VanDerWaalsContact O-O 3.11Å; A231-Y296 HydrophobicContact CB-CE1 4.09Å; A294-Y296 HydrophobicContact CB-CD1 4.3Å; Y296-K304 HydrophobicContact CD2-CD 4.36Å; Y296-L305 CarbonylContact C-O 3.6Å; Y296-L305 WeakPolarHBondContact CA-O 3.21Å; Y296-L305 VanDerWaalsContact CB-O 3.24Å; Y296-L305 WeakPolarHBondContact CB-O 3.36Å
297I97.6Very high95.6Very high0 Ų038.8 Ų38.80%021%0.207CC..EExtended strand (participates in β ladder)trans-110.1123.1-178.8-60.5171.8000108.5V195 L197 I218 I226 P228 I299 K304 L305V195-I297 HydrophobicContact CG1-CD1 3.58Å; V195-I297 HydrophobicContact CG1-CG2 4.27Å; L197-I297 HydrophobicContact CB-CD1 3.91Å; L197-I297 HydrophobicContact CD1-CD1 4.27Å; L197-I297 HydrophobicContact CD2-CD1 4.34Å; L197-I297 HydrophobicContact CD2-CG1 4.31Å; L197-I297 HydrophobicContact CG-CD1 4.39Å; I218-I297 HydrophobicContact CG1-CD1 4.39Å; I218-I297 HydrophobicContact CG2-CD1 3.48Å; I218-I297 VanDerWaalsContact CG2-CD1 3.48Å; I218-I297 HydrophobicContact CG2-CG1 4.4Å; I226-I297 HydrophobicContact CB-CG2 3.66Å; I226-I297 HydrophobicContact CD1-CD1 4.34Å; I226-I297 HydrophobicContact CD1-CG2 3.66Å; I226-I297 HydrophobicContact CG1-CG2 4.07Å; I226-I297 HydrophobicContact CG2-CG2 4.26Å; P228-I297 HydrophobicContact CB-CG1 4.36Å; I297-I299 HydrophobicContact CG2-CG1 3.84Å; I297-K304 WeakPolarHBondContact O-CA 3.23Å; I297-K304 WeakPolarHBondContact O-CB 3.39Å; I297-L305 HydrophobicContact CB-CB 4.45Å; I297-L305 HydrophobicContact CD1-CD2 4.3Å; I297-L305 PolarHBondContact N-O 2.81Å; I297-L305 PolarHBondContact O-N 2.79Å
298H96.3Very high95.7Very high99 Ų9942.3 Ų42.346%0.45822%0.224SC..EExtended strand (participates in β ladder)trans-80.6118.2168.6-171.471000109.4V227V227-H298 HydrophobicContact CB-CB 4.44Å; V227-H298 PolarHBondContact N-O 2.84Å; V227-H298 VanDerWaalsContact N-O 3.07Å; V227-H298 PolarHBondContact O-N 3.11Å
299I94.3Very high95.7Very high1 Ų136.8 Ų36.81%0.00520%0.203CC..  trans-114.5109.7-179.3-53.4171.2000106.7V185 V195 I226 I297 G301 A302 L305V185-I299 HydrophobicContact CG1-CG2 4.02Å; V185-I299 HydrophobicContact CG2-CD1 3.96Å; V185-I299 HydrophobicContact CG2-CG2 4.16Å; V195-I299 HydrophobicContact CB-CD1 4.24Å; V195-I299 HydrophobicContact CG1-CD1 4.47Å; V195-I299 HydrophobicContact CG2-CD1 4.1Å; I226-I299 HydrophobicContact CG2-CG1 4.09Å; I226-I299 HydrophobicContact CG2-CG2 4.33Å; I297-I299 HydrophobicContact CG2-CG1 3.84Å; I299-G301 PolarHBondContact O-N 2.88Å; I299-A302 HydrophobicContact CB-CB 4.17Å; I299-A302 HydrophobicContact CG2-CB 3.88Å; I299-A302 PolarHBondContact O-N 2.68Å; I299-A302 VanDerWaalsContact O-N 3.09Å; I299-A302 VanDerWaalsContact O-O 3.06Å; I299-L305 HydrophobicContact CD1-CB 4.37Å
300P92.1Very high95.7Very high62 Ų6239.2 Ų39.240%0.40322%0.218SC..THydrogen-bonded Turntrans-53.5129.1-179.8-27.335.1000111.1R224 L225 A302R224-P300 WeakPolarHBondContact CD-O 3.28Å; R224-P300 PolarHBondContact NH1-O 2.8Å; L225-P300 VanDerWaalsContact O-CD 3.26Å; L225-P300 WeakPolarHBondContact O-CD 3.34Å; L225-P300 WeakPolarHBondContact O-CG 3.26Å; P300-A302 VanDerWaalsContact C-N 3.3Å; P300-A302 PolarHBondContact O-N 3.02Å
301G88.4Confident95.7Very high81 Ų8137.8 Ų37.884%0.83521%0.211SC*.THydrogen-bonded Turntrans69.517179.400000115.8R224 I299R224-G301 PolarHBondContact NH1-O 2.86Å; I299-G301 PolarHBondContact O-N 2.88Å
302A89.5Confident95.7Very high37 Ų3737.9 Ų37.931%0.30621%0.212SC..SBendtrans-141.2161.5171.400000110.7I299 P300I299-A302 HydrophobicContact CB-CB 4.17Å; I299-A302 HydrophobicContact CG2-CB 3.88Å; I299-A302 PolarHBondContact O-N 2.68Å; I299-A302 VanDerWaalsContact O-N 3.09Å; I299-A302 VanDerWaalsContact O-O 3.06Å; P300-A302 VanDerWaalsContact C-N 3.3Å; P300-A302 PolarHBondContact O-N 3.02Å
303K91Very high95.6Very high176 Ų17637.4 Ų37.477%0.76521%0.208SC*.PPolyproline II helixtrans-60.5143.1171.1-57.4178.6179.5178.10109.3K183K183-K303 PolarHBondContact NZ-O 2.91Å
304K94.6Very high95.5Very high109 Ų10937.4 Ų37.447%0.47421%0.209SC..PPolyproline II helixtrans-56.7146.5173.359.1178.9178.5171.80111.8Y296 I297 M306Y296-K304 HydrophobicContact CD2-CD 4.36Å; I297-K304 WeakPolarHBondContact O-CA 3.23Å; I297-K304 WeakPolarHBondContact O-CB 3.39Å; K304-M306 HydrophobicContact CD-SD 4.14Å; K304-M306 PolarHBondContact NZ-SD 2.8Å
305L95.8Very high95.2Very high4 Ų439.5 Ų39.52%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-91.6128.9163.8173.659.2000107.2Q181 K183 V195 L197 Y296 I297 I299Q181-L305 HydrophobicContact CB-CD1 4.02Å; Q181-L305 HydrophobicContact CG-CD1 3.61Å; Q181-L305 VanDerWaalsContact OE1-CD1 3.24Å; K183-L305 HydrophobicContact CB-CD1 4.03Å; K183-L305 HydrophobicContact CB-CD2 4.32Å; V195-L305 HydrophobicContact CB-CD2 4.48Å; V195-L305 HydrophobicContact CG1-CD2 4.15Å; V195-L305 VanDerWaalsContact O-CD2 3.28Å; V195-L305 WeakPolarHBondContact O-CD2 3.33Å; L197-L305 HydrophobicContact CB-CD2 3.82Å; L197-L305 HydrophobicContact CB-CG 4.32Å; Y296-L305 CarbonylContact C-O 3.6Å; Y296-L305 WeakPolarHBondContact CA-O 3.21Å; Y296-L305 VanDerWaalsContact CB-O 3.24Å; Y296-L305 WeakPolarHBondContact CB-O 3.36Å; I297-L305 HydrophobicContact CB-CB 4.45Å; I297-L305 HydrophobicContact CD1-CD2 4.3Å; I297-L305 PolarHBondContact N-O 2.81Å; I297-L305 PolarHBondContact O-N 2.79Å; I299-L305 HydrophobicContact CD1-CB 4.37Å
306M96.6Very high94.9Very high36 Ų3642.4 Ų42.418%0.17724%0.236CC..EExtended strand (participates in β ladder)trans-147.4122.5-168.4176.8168.9-179.700111.7Q181 F233 A294 K304 E308Q181-M306 PolarHBondContact OE1-O 2.67Å; F233-M306 HydrophobicContact CE2-CE 4.12Å; A294-M306 HydrophobicContact CB-CE 3.39Å; K304-M306 HydrophobicContact CD-SD 4.14Å; K304-M306 PolarHBondContact NZ-SD 2.8Å; M306-E308 HydrophobicContact CE-CG 3.87Å; M306-E308 WeakPolarHBondContact CE-OE1 3.43Å; M306-E308 HydrophobicContact CG-CG 4.46Å
307L97.4Very high94.5Very high10 Ų1044.5 Ų44.55%0.05225%0.254CS..EExtended strand (participates in β ladder)trans-103.3136.3170.8-69.4-179.7000110K179 Q181 L197 A199 A294 V295K179-L307 HydrophobicContact CB-CD1 4.09Å; K179-L307 HydrophobicContact CB-CD2 3.94Å; K179-L307 HydrophobicContact CB-CG 4.48Å; K179-L307 VanDerWaalsContact O-CD1 3.23Å; K179-L307 WeakPolarHBondContact O-CD1 3.24Å; Q181-L307 HydrophobicContact CB-CD2 3.47Å; Q181-L307 VanDerWaalsContact CB-CD2 3.47Å; Q181-L307 HydrophobicContact CB-CG 4.24Å; L197-L307 HydrophobicContact CB-CD1 4.49Å; L197-L307 HydrophobicContact CD2-CB 4.41Å; L197-L307 HydrophobicContact CD2-CD1 3.99Å; L197-L307 HydrophobicContact CD2-CG 3.98Å; L197-L307 HydrophobicContact CG-CD1 3.78Å; L197-L307 HydrophobicContact CG-CG 4.28Å; A199-L307 HydrophobicContact CB-CD1 3.92Å; A294-L307 CarbonylContact C-O 3.56Å; A294-L307 WeakPolarHBondContact CA-O 3.34Å; V295-L307 PolarHBondContact N-O 3.13Å; V295-L307 PolarHBondContact O-N 2.86Å
308E97.5Very high93.9Very high74 Ų7448.6 Ų48.635%0.34627%0.27SS..EExtended strand (participates in β ladder)trans-116.1114.7173.8-66.1-173.7164.200110.3K179 R248 A294 M306K179-E308 WeakPolarHBondContact CD-O 3.28Å; K179-E308 WeakPolarHBondContact CE-O 3.47Å; K179-E308 PolarHBondContact NZ-O 2.94Å; R248-E308 IonicContact CZ-OE1 3.38Å; R248-E308 IonicContact NH1-OE1 2.68Å; R248-E308 PolarHBondContact NH1-OE1 2.8Å; R248-E308 IonicContact NH2-OE1 3.83Å; R248-E308 PolarHBondContact NH2-OE1 3.22Å; A294-E308 HydrophobicContact CB-CG 4.35Å; M306-E308 HydrophobicContact CE-CG 3.87Å; M306-E308 WeakPolarHBondContact CE-OE1 3.43Å; M306-E308 HydrophobicContact CG-CG 4.46Å
309L97.9Very high93.1Very high0 Ų048.4 Ų48.40%027%0.272CS..EExtended strand (participates in β ladder)trans-96.6124.1175.2-59.3162.5000107.7V177 K179 A199 I201 S292 L293V177-L309 HydrophobicContact CB-CD2 4.11Å; V177-L309 HydrophobicContact CG1-CB 4.31Å; V177-L309 HydrophobicContact CG1-CD2 3.45Å; V177-L309 VanDerWaalsContact CG1-CD2 3.45Å; V177-L309 HydrophobicContact CG1-CG 4.49Å; K179-L309 HydrophobicContact CB-CD2 3.98Å; K179-L309 HydrophobicContact CD-CD2 4.08Å; K179-L309 HydrophobicContact CG-CD2 3.79Å; A199-L309 HydrophobicContact CB-CD1 4.07Å; I201-L309 HydrophobicContact CD1-CB 4.08Å; I201-L309 HydrophobicContact CG1-CD1 4.37Å; I201-L309 HydrophobicContact CG2-CD1 4.19Å; S292-L309 CarbonylContact C-O 3.49Å; S292-L309 VanDerWaalsContact CA-O 3.3Å; S292-L309 WeakPolarHBondContact CA-O 3.46Å; L293-L309 HydrophobicContact CB-CB 4.31Å; L293-L309 HydrophobicContact CD2-CD1 4.09Å; L293-L309 PolarHBondContact N-O 3.29Å; L293-L309 PolarHBondContact O-N 3.26Å
310P96.9Very high91.8Very high51 Ų5149.3 Ų49.333%0.33128%0.282SS..EExtended strand (participates in β ladder)trans-63.9142.3178.227.3-36.6000111.1V177 K204V177-P310 HydrophobicContact CG1-CG 4.48Å; K204-P310 HydrophobicContact CD-CB 4.5Å; K204-P310 HydrophobicContact CD-CG 4.49Å
311L96.4Very high89.9Confident7 Ų757.6 Ų57.64%0.03731%0.312CS..EExtended strand (participates in β ladder)trans-128155.1174.5-64.9179.8000110.4I201 K204 Y206 I212 I232 Y291 L293I201-L311 HydrophobicContact CD1-CD2 3.55Å; K204-L311 CarbonylContact O-C 3.59Å; K204-L311 WeakPolarHBondContact O-CA 3.18Å; Y206-L311 HydrophobicContact CD2-CD2 3.94Å; Y206-L311 HydrophobicContact CE2-CD2 3.73Å; I212-L311 HydrophobicContact CD1-CD1 3.72Å; I212-L311 HydrophobicContact CD1-CD2 4.33Å; I232-L311 HydrophobicContact CG2-CD1 4.4Å; Y291-L311 PolarHBondContact O-N 2.86Å; Y291-L311 VanDerWaalsContact O-O 3.05Å; L293-L311 HydrophobicContact CB-CD1 3.83Å; L293-L311 HydrophobicContact CB-CD2 4.32Å; L293-L311 HydrophobicContact CB-CG 4.06Å
312V96.8Very high87.9Confident8 Ų857 Ų575%0.04831%0.307CS..EExtended strand (participates in β ladder)trans-127.8127.6167172.20000107.8V166 L173 K204 G205 Y206 L282V166-V312 HydrophobicContact CG1-CG1 3.81Å; L173-V312 HydrophobicContact CD1-CB 4.34Å; L173-V312 HydrophobicContact CD1-CG1 4.03Å; L173-V312 HydrophobicContact CD2-CB 3.93Å; L173-V312 HydrophobicContact CD2-CG1 4.38Å; L173-V312 HydrophobicContact CD2-CG2 3.73Å; K204-V312 HydrophobicContact CG-CG2 4.33Å; K204-V312 PolarHBondContact O-N 3.13Å; G205-V312 WeakPolarHBondContact CA-O 3.45Å; Y206-V312 PolarHBondContact N-O 3Å; L282-V312 HydrophobicContact CD1-CG1 4.46Å
313I96.8Very high85.6Confident1 Ų158 Ų581%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-97.5110.5174.9-59.9-173.2000107.8Y206 I274 V277 S280 Y291Y206-I313 CarbonylContact O-C 3.54Å; Y206-I313 VanDerWaalsContact O-CA 3.24Å; Y206-I313 WeakPolarHBondContact O-CA 3.26Å; I274-I313 HydrophobicContact CG2-CD1 3.98Å; V277-I313 HydrophobicContact CG2-CD1 3.48Å; V277-I313 VanDerWaalsContact CG2-CD1 3.48Å; V277-I313 HydrophobicContact CG2-CG2 4.39Å; S280-I313 PolarHBondContact N-O 2.93Å; S280-I313 PolarHBondContact OG-N 3.01Å; Y291-I313 HydrophobicContact CD1-CD1 3.49Å; Y291-I313 VanDerWaalsContact CD1-CD1 3.49Å; Y291-I313 HydrophobicContact CD1-CG1 4.24Å; Y291-I313 HydrophobicContact CD2-CB 4.05Å; Y291-I313 HydrophobicContact CD2-CD1 3.71Å; Y291-I313 HydrophobicContact CD2-CG1 3.66Å; Y291-I313 HydrophobicContact CE1-CD1 3.51Å; Y291-I313 HydrophobicContact CE2-CB 4.03Å; Y291-I313 HydrophobicContact CE2-CD1 3.73Å; Y291-I313 HydrophobicContact CE2-CG1 3.97Å; Y291-I313 HydrophobicContact CG-CD1 3.58Å; Y291-I313 HydrophobicContact CG-CG1 3.8Å
314G95.1Very high83.6Confident1 Ų161.7 Ų61.71%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-98.2176.7-179.100000113.9V166 Y206 C207V166-G314 WeakPolarHBondContact O-CA 3.48Å; Y206-G314 PolarHBondContact O-N 2.9Å; C207-G314 PolarHBondContact SG-O 3.36Å
315T92.5Very high81.1Confident43 Ų4363.1 Ų63.126%0.26433%0.333SS..SBendtrans-107.3-25.1179.357.30000112.8V163 H165 V166 P279V163-T315 HydrophobicContact CG1-CG2 3.76Å; H165-T315 VanDerWaalsContact CA-OG1 3.29Å; H165-T315 WeakPolarHBondContact CA-OG1 3.19Å; H165-T315 PolarHBondContact ND1-OG1 2.84Å; V166-T315 PolarHBondContact N-OG1 2.91Å; V166-T315 VanDerWaalsContact N-OG1 3.1Å; V166-T315 PolarHBondContact O-N 2.75Å; P279-T315 HydrophobicContact CB-CG2 3.85Å; P279-T315 HydrophobicContact CG-CG2 3.48Å; P279-T315 VanDerWaalsContact CG-CG2 3.48Å
316I91.9Very high78.4Confident61 Ų6166 Ų6631%0.31335%0.354SS..BIsolated β-bridgetrans-97.1119.8178.5-58.5171.4000106.8H165 V166 D167 V168 C207H165-I316 HydrophobicContact CB-CD1 4.2Å; V166-I316 PolarHBondContact O-N 2.72Å; D167-I316 HydrophobicContact CB-CD1 4.02Å; V168-I316 WeakPolarHBondContact CG2-O 3.09Å; C207-I316 VanDerWaalsContact SG-C 3.58Å; C207-I316 PolarHBondContact SG-O 2.74Å
317P88.9Confident76Confident74 Ų7469.7 Ų69.748%0.48138%0.383SS..PPolyproline II helixtrans-65.2157-175.327.4-34.3000112.2N169 C207 N319N169-P317 PolarHBondContact ND2-O 3.49Å; C207-P317 VanDerWaalsContact SG-CA 3.59Å; P317-N319 PolarHBondContact O-N 2.84Å; P317-N319 PolarHBondContact O-OD1 3.36Å
318Y85.4Confident73.5Confident86 Ų8675.9 Ų75.934%0.33742%0.415SS..PPolyproline II helixtrans-68.8119.3176.9176.6-115.5000110.7N169 L174 G320N169-Y318 WeakPolarHBondContact OD1-CA 3.23Å; N169-Y318 VanDerWaalsContact OD1-CD2 3.23Å; N169-Y318 WeakPolarHBondContact OD1-CD2 3.24Å; L174-Y318 HydrophobicContact CD1-CE2 4.36Å; L174-Y318 HydrophobicContact CD2-CD2 3.6Å; L174-Y318 HydrophobicContact CD2-CE2 3.31Å; L174-Y318 HydrophobicContact CG-CE2 4.47Å; Y318-G320 VanDerWaalsContact C-N 3.35Å; Y318-G320 VanDerWaalsContact CE1-CA 3.41Å; Y318-G320 PolarHBondContact O-N 2.84Å
319N80.2Confident70.7Confident94 Ų9477.2 Ų77.250%0.50344%0.439SS..  trans-90.574.4174.5-67.6-10.5000108.2N169 P317N169-N319 PolarHBondContact OD1-N 2.99Å; P317-N319 PolarHBondContact O-N 2.84Å; P317-N319 PolarHBondContact O-OD1 3.36Å
320G66.6Low68Low21 Ų2182.1 Ų82.122%0.21647%0.473CS..  trans-57.9150166.600000109.8Y318 G322 S323Y318-G320 VanDerWaalsContact C-N 3.35Å; Y318-G320 VanDerWaalsContact CE1-CA 3.41Å; Y318-G320 PolarHBondContact O-N 2.84Å; G320-G322 PolarHBondContact O-N 3.07Å; G320-S323 PolarHBondContact O-N 2.94Å; G320-S323 VanDerWaalsContact O-N 3.1Å
321F50.8Low65.3Low235 Ų23588.2 Ų88.2100%1.03150%0.497SS*.THydrogen-bonded Turntrans-54.65.8174.5-96.1-92.2000115.2
322G46.4Very low62.3Low70 Ų7095.9 Ų95.972%0.72253%0.53SS*.THydrogen-bonded Turntrans-119.63.7177.900000116.3G320 R324G320-G322 PolarHBondContact O-N 3.07Å; G322-R324 PolarHBondContact O-N 3.19Å
323S42.9Very low59.5Low57 Ų57101.4 Ų101.440%0.39957%0.569SS.*  trans-91.176.9179.1-158.70000111.5G320 N325G320-S323 PolarHBondContact O-N 2.94Å; G320-S323 VanDerWaalsContact O-N 3.1Å; S323-N325 PolarHBondContact O-N 3.07Å; S323-N325 PolarHBondContact OG-OD1 2.87Å
324R48.1Very low56.6Low253 Ų253108.4 Ų108.496%0.95560%0.603SS**THydrogen-bonded Turntrans-80.815.1171.9-82.8-171.6169-160.6-2.7113.7G322G322-R324 PolarHBondContact O-N 3.19Å
325N43Very low54.3Low139 Ų139114.4 Ų114.474%0.74364%0.635SS**THydrogen-bonded Turntrans-133.215-169.247.8-7000115.7S323S323-N325 PolarHBondContact O-N 3.07Å; S323-N325 PolarHBondContact OG-OD1 2.87Å
326S38.5Very low51.9Low66 Ų66117.5 Ų117.546%0.46265%0.648SS.*  trans-100.487.7163.251.90000110.3I328S326-I328 PolarHBondContact O-N 3.45Å
327S45Very low50Low113 Ų113117.4 Ų117.479%0.7965%0.653SS**  trans-63.389.716852.30000110.6
328I46.8Very low48.2Very low139 Ų139121.8 Ų121.871%0.71366%0.66SS**  trans-121.2-2.3163.4-66.9178.3000111S326 S330S326-I328 PolarHBondContact O-N 3.45Å; I328-S330 PolarHBondContact O-N 3.21Å; I328-S330 VanDerWaalsContact O-N 3.1Å
329A38.8Very low46.4Very low103 Ų103120.7 Ų120.785%0.85166%0.659SS**THydrogen-bonded Turntrans-83.733.5177.400000114.4
330S40.5Very low44.9Very low102 Ų102121.5 Ų121.571%0.71367%0.668SS**THydrogen-bonded Turntrans-113.915.2177.370.90000114.7I328I328-S330 PolarHBondContact O-N 3.21Å; I328-S330 VanDerWaalsContact O-N 3.1Å
331Q40.9Very low44.2Very low179 Ų179127.8 Ų127.884%0.83670%0.696SS**SBendtrans-132.37.9175.5-69.7-169.8-2.400115.8
332F33.2Very low44.2Very low168 Ų168121.4 Ų121.474%0.73768%0.676SS**  trans-106.179.8164.2-71.9-78.2000109.2M334F332-M334 HydrophobicContact CB-CG 4.43Å; F332-M334 HydrophobicContact CD1-CE 4.03Å; F332-M334 HydrophobicContact CE1-CE 4.49Å; F332-M334 PolarHBondContact O-N 3.42Å
333S36.8Very low44.1Very low124 Ų124124.2 Ų124.287%0.86767%0.674SS**  trans-69.276.5154.9173.40000107.3D335S333-D335 PolarHBondContact O-N 2.81Å
334M36.3Very low44.1Very low148 Ų148126.9 Ų126.973%0.72969%0.69SS**  trans-81112.2161.5-69.8-152.4177.300106.9F332 M336F332-M334 HydrophobicContact CB-CG 4.43Å; F332-M334 HydrophobicContact CD1-CE 4.03Å; F332-M334 HydrophobicContact CE1-CE 4.49Å; F332-M334 PolarHBondContact O-N 3.42Å; M334-M336 PolarHBondContact O-N 2.88Å
335D46.3Very low44Very low127 Ų127124.6 Ų124.668%0.67969%0.69SS**  trans-51.1107.7173.3-175.928.9000109.7S333 S337S333-D335 PolarHBondContact O-N 2.81Å; D335-S337 PolarHBondContact O-N 3.28Å; D335-S337 VanDerWaalsContact O-N 3.14Å; D335-S337 WeakPolarHBondContact OD2-CB 3.27Å; D335-S337 PolarHBondContact OD2-OG 3.26Å
336M41.9Very low44.3Very low108 Ų108125.8 Ų125.853%0.53269%0.691SS.*  trans-82.639.6175.9-78.1-156111.800111.5M334 W338 L339M334-M336 PolarHBondContact O-N 2.88Å; M336-W338 HydrophobicContact CE-CZ2 4.35Å; M336-W338 PolarHBondContact O-N 2.93Å; M336-W338 VanDerWaalsContact O-N 3.15Å; M336-L339 HydrophobicContact CE-CD1 3.17Å; M336-L339 HydrophobicContact CE-CG 3.73Å; M336-L339 PolarHBondContact O-N 3.08Å; M336-L339 HydrophobicContact SD-CD1 3.52Å; M336-L339 VanDerWaalsContact SD-CD1 3.52Å; M336-L339 HydrophobicContact SD-CG 4.34Å
337S53.4Low44.7Very low59 Ų59128.7 Ų128.741%0.41371%0.709SS.*THydrogen-bonded Turntrans-65.4-15.3178.846.40000113.6D335 T340D335-S337 PolarHBondContact O-N 3.28Å; D335-S337 VanDerWaalsContact O-N 3.14Å; D335-S337 WeakPolarHBondContact OD2-CB 3.27Å; D335-S337 PolarHBondContact OD2-OG 3.26Å; S337-T340 PolarHBondContact O-OG1 2.83Å
338W50.7Low45.1Very low167 Ų167132.3 Ų132.363%0.63371%0.713SS**THydrogen-bonded Turntrans-81-22.6176.173.8-79.8000114.5M336M336-W338 HydrophobicContact CE-CZ2 4.35Å; M336-W338 PolarHBondContact O-N 2.93Å; M336-W338 VanDerWaalsContact O-N 3.15Å
339L47.2Very low45.4Very low62 Ų62129.6 Ų129.633%0.32571%0.711SS.*G310 helixtrans-76-27.1175.5-73.4-171.5000112.3M336 L341M336-L339 HydrophobicContact CE-CD1 3.17Å; M336-L339 HydrophobicContact CE-CG 3.73Å; M336-L339 PolarHBondContact O-N 3.08Å; M336-L339 HydrophobicContact SD-CD1 3.52Å; M336-L339 VanDerWaalsContact SD-CD1 3.52Å; M336-L339 HydrophobicContact SD-CG 4.34Å; L339-L341 PolarHBondContact O-N 3.22Å
340T49.7Very low46.1Very low112 Ų112130.2 Ų130.269%0.68771%0.706SS**G310 helixtrans-70.6-13.3177.224.50000114.3S337S337-T340 PolarHBondContact O-OG1 2.83Å
341L50.5Low46.7Very low153 Ų153130.7 Ų130.780%0.80171%0.707SS**G310 helixtrans-99.9-2.3-178.8-71.5170.1000114.1L339L339-L341 PolarHBondContact O-N 3.22Å
342T50.4Low47.3Very low101 Ų101127 Ų12762%0.6269%0.694SS**THydrogen-bonded Turntrans-126.32.1-173.656.40000114.8
343L44.8Very low48.1Very low129 Ų129127.5 Ų127.568%0.67569%0.691SS**SBendtrans-103.7126.5175.4-80.8154.5000110.3E345L343-E345 PolarHBondContact O-N 3.25Å
344P43.4Very low49Very low112 Ų112125.1 Ų125.173%0.72768%0.679SS**  trans-55.8137.9165.6-1829.6000109.8Q346P344-Q346 PolarHBondContact O-N 2.85Å
345E46.5Very low50.1Low206 Ų206124.5 Ų124.596%0.96368%0.679SS**SBendtrans-72.120.6-168.3-146.4175.9-179.300114.8L343L343-E345 PolarHBondContact O-N 3.25Å
346Q49.7Very low50.5Low163 Ų163123.4 Ų123.476%0.76268%0.677SS**SBendtrans-142.6118.3179.4-155.9170.1-400109.9P344 E348P344-Q346 PolarHBondContact O-N 2.85Å; Q346-E348 PolarHBondContact O-N 2.84Å
347P45.9Very low50.9Low128 Ų128120.9 Ų120.983%0.83167%0.667SS**  trans-67.5106.4172.323.4-24000107.9A349P347-A349 PolarHBondContact O-N 2.86Å
348E53.5Low51.2Low189 Ų189120.7 Ų120.788%0.88367%0.666SS**PPolyproline II helixtrans-69.4125.9171.7-163.2169.8-167.500108.1Q346Q346-E348 PolarHBondContact O-N 2.84Å
349A53.3Low51.5Low81 Ų81120.9 Ų120.967%0.66967%0.674SS**PPolyproline II helixtrans-59.9143.4178.900000109.6P347P347-A349 PolarHBondContact O-N 2.86Å
350P53.3Low52Low116 Ų116124.8 Ų124.875%0.75369%0.691SS**PPolyproline II helixtrans-57146.9175.524.1-32.7000110.4
351P52.8Low52.3Low112 Ų112124 Ų12473%0.72768%0.679SS**PPolyproline II helixtrans-57.7144.6-177.521.9-32.1000111.6Y353P351-Y353 PolarHBondContact O-N 2.78Å
352N54.6Low52.5Low103 Ų103123.6 Ų123.655%0.55167%0.671SS**PPolyproline II helixtrans-66.5133.2-178.8-170.1-41.9000109.9A354 D355N352-A354 PolarHBondContact O-N 3.29Å; N352-A354 VanDerWaalsContact O-N 3.13Å; N352-A354 WeakPolarHBondContact OD1-CB 3.01Å; N352-A354 PolarHBondContact OD1-N 3.37Å; N352-D355 WeakPolarHBondContact O-CB 3.06Å; N352-D355 PolarHBondContact O-N 2.83Å
353Y48.6Very low52.8Low177 Ų177122.7 Ų122.769%0.69467%0.669SS**G310 helixtrans-59.7-25.9-178.1-158.5-92.8000113P351 D355 V356 V357P351-Y353 PolarHBondContact O-N 2.78Å; Y353-D355 PolarHBondContact O-N 3.09Å; Y353-V356 PolarHBondContact O-N 3.31Å; Y353-V357 HydrophobicContact CE1-CG2 4.11Å
354A57.2Low53.2Low74 Ų74125.2 Ų125.261%0.61267%0.669SS**G310 helixtrans-65.9-19.2175.700000113.8N352 V356N352-A354 PolarHBondContact O-N 3.29Å; N352-A354 VanDerWaalsContact O-N 3.13Å; N352-A354 WeakPolarHBondContact OD1-CB 3.01Å; N352-A354 PolarHBondContact OD1-N 3.37Å; A354-V356 VanDerWaalsContact C-N 3.34Å
355D57.8Low53.5Low136 Ų136127.5 Ų127.573%0.72767%0.67SS**G310 helixtrans-86.4-7.1179.9-61.8-37000112.8N352 Y353N352-D355 WeakPolarHBondContact O-CB 3.06Å; N352-D355 PolarHBondContact O-N 2.83Å; Y353-D355 PolarHBondContact O-N 3.09Å
356V55.5Low53.6Low103 Ų103122.9 Ų122.962%0.62465%0.651SS**THydrogen-bonded Turntrans-110.4-13.7-172.3-150.60000112.9Y353 A354Y353-V356 PolarHBondContact O-N 3.31Å; A354-V356 VanDerWaalsContact C-N 3.34Å
357V50.2Low53.3Low55 Ų55119.2 Ų119.233%0.33364%0.641SS.*SBendtrans-130.4113.6179.1-175.20000108.7Y353 E361Y353-V357 HydrophobicContact CE1-CG2 4.11Å; V357-E361 HydrophobicContact CG1-CB 4.14Å
358S59.1Low53.1Low55 Ų55118.9 Ų118.939%0.38564%0.641SS.*  trans-70.2149.1175.2650000110.9E360 E361 F362S358-E360 PolarHBondContact O-N 2.88Å; S358-E361 PolarHBondContact O-N 2.73Å; S358-F362 PolarHBondContact O-N 3.5Å
359E58.2Low52.5Low171 Ų171119.6 Ų119.680%0.79964%0.638SS**Hα-helixtrans-55.1-22.6178.5-68.2-173.7152.100112.9S363E359-S363 WeakPolarHBondContact O-CB 3.34Å; E359-S363 PolarHBondContact O-N 2.89Å; E359-S363 VanDerWaalsContact O-N 3.12Å; E359-S363 PolarHBondContact O-OG 2.91Å
360E57Low51.8Low145 Ų145121.4 Ų121.468%0.67864%0.642SS**Hα-helixtrans-76.7-24.8178.7-65151.6168.200113.7S358 R364S358-E360 PolarHBondContact O-N 2.88Å; E360-R364 PolarHBondContact O-NE 2.86Å
361E56.9Low51.2Low95 Ų95124.8 Ų124.844%0.44465%0.648SS.*Hα-helixtrans-84.2-34.8172.3-102.5169.6170.400111.7V357 S358 R364 H365V357-E361 HydrophobicContact CG1-CB 4.14Å; S358-E361 PolarHBondContact O-N 2.73Å; E361-R364 PolarHBondContact O-N 3.39Å; E361-H365 PolarHBondContact O-CD2 2.62Å
362F54.2Low50.5Low145 Ų145125 Ų12564%0.63665%0.65SS**Hα-helixtrans-63.3-42.6173.1-170.2-101.1000111.7S358 R364 H365S358-F362 PolarHBondContact O-N 3.5Å; F362-R364 VanDerWaalsContact C-N 3.28Å; F362-R364 PolarHBondContact O-N 3.19Å; F362-H365 PolarHBondContact O-N 2.67Å
363S55.8Low49.8Very low81 Ų81126.1 Ų126.157%0.56666%0.662SS**G310 helixtrans-68.6-22.2-179.6-58.60000114E359 H365E359-S363 WeakPolarHBondContact O-CB 3.34Å; E359-S363 PolarHBondContact O-N 2.89Å; E359-S363 VanDerWaalsContact O-N 3.12Å; E359-S363 PolarHBondContact O-OG 2.91Å; S363-H365 VanDerWaalsContact C-N 3.33Å
364R54.3Low49.2Very low183 Ų183125.6 Ų125.669%0.69167%0.672SS**G310 helixtrans-79.1-13.5177.1-86.7-172.5-84.8167.7-4.4113.9E360 E361 F362E360-R364 PolarHBondContact O-NE 2.86Å; E361-R364 PolarHBondContact O-N 3.39Å; F362-R364 VanDerWaalsContact C-N 3.28Å; F362-R364 PolarHBondContact O-N 3.19Å
365H49.4Very low48.5Very low160 Ų160127.8 Ų127.874%0.74168%0.681SS**G310 helixtrans-111.512.9-174.8-76.1-54.6000114.8E361 F362 S363 P367E361-H365 PolarHBondContact O-CD2 2.62Å; F362-H365 PolarHBondContact O-N 2.67Å; S363-H365 VanDerWaalsContact C-N 3.33Å; H365-P367 VanDerWaalsContact O-CD 3.26Å; H365-P367 WeakPolarHBondContact O-CD 2.95Å
366I48.3Very low47.6Very low109 Ų109131 Ų13156%0.55969%0.692SS**  trans-84.6111.6171.3-57.3177.3000108.9S368I366-S368 PolarHBondContact O-N 3.48Å
367P42.8Very low46.7Very low86 Ų86129.9 Ų129.956%0.55870%0.701SS**  trans-72.1130.6169.6-5.824.3000108.7H365 Y369H365-P367 VanDerWaalsContact O-CD 3.26Å; H365-P367 WeakPolarHBondContact O-CD 2.95Å; P367-Y369 PolarHBondContact O-N 3.28Å
368S42.4Very low46.1Very low120 Ų120136.2 Ų136.284%0.83973%0.727SS**  trans-70.3109.5171.8-20.80000108.8I366I366-S368 PolarHBondContact O-N 3.48Å
369Y40.8Very low45.3Very low205 Ų205139.5 Ų139.580%0.80474%0.744SS**PPolyproline II helixtrans-77.4133.2173.3-75.5-85.6000110.7P367P367-Y369 PolarHBondContact O-N 3.28Å
370P39.3Very low44.3Very low118 Ų118137.1 Ų137.177%0.76675%0.745SS**PPolyproline II helixtrans-76142.21649.63.7000110.7
371Q39.9Very low43.4Very low187 Ų187136.3 Ų136.387%0.87475%0.754SS**PPolyproline II helixtrans-59.8142172.1-105.2178.2-41.200111.7
372P39.1Very low42.6Very low118 Ų118136.4 Ų136.477%0.76676%0.763SS**PPolyproline II helixtrans-77.6138.7177.430.8-31.5000111.1
373P38.3Very low42.1Very low125 Ų125137.4 Ų137.481%0.81277%0.772SS**PPolyproline II helixtrans-78.2155.2161.532.1-29.2000110.7
374N37.3Very low41.5Very low167 Ų167141.4 Ų141.489%0.89378%0.779SS**PPolyproline II helixtrans-46.4146.5-175-100.8-22.1000115.6
375C42.1Very low40.9Very low119 Ų119136 Ų13680%0.80477%0.773SS**PPolyproline II helixtrans-50.4144.7172.8-62.50000113.1
376E39.3Very low40.6Very low205 Ų205132.1 Ų132.196%0.95876%0.764SS**  -175.8129.3119.5-73.8-141.3123.300109
377G36.1Very low40.5Very low79 Ų79131.9 Ų131.981%0.81476%0.762SS**  trans120.1104.5163.200000117.9
378E38.6Very low40.5Very low187 Ų187134 Ų13487%0.87477%0.765SS**  trans21.7120.8151.4-90.7176.4132.200123.1
379V42.2Very low40.6Very low125 Ų125134.7 Ų134.776%0.75876%0.755SS**  trans55.9102.1134-172.70000119.2
380C35.7Very low40.9Very low121 Ų121132.3 Ų132.382%0.81875%0.749SS**  169.1112.7116.4-115.60000110.1
381C39.1Very low41.4Very low127 Ų127135.3 Ų135.386%0.85875%0.745SS**  trans-115117.6163.6-99.90000109.4
382P39.7Very low41.7Very low97 Ų97135.1 Ų135.163%0.6374%0.742SS**  trans-73.5145176.518.8-13.8000111F384P382-F384 PolarHBondContact O-N 3.27Å
383M43Very low42Very low167 Ų167136.3 Ų136.382%0.82374%0.737SS**THydrogen-bonded Turntrans-54.917.2178.4-108.2-89.7-83.900116.5
384F43.7Very low42.5Very low164 Ų164135.2 Ų135.272%0.71973%0.73SS**THydrogen-bonded Turntrans-101.2-12.2-179.2-82.2-82.5000114.4P382P382-F384 PolarHBondContact O-N 3.27Å
385A42.7Very low43Very low69 Ų69132.6 Ų132.657%0.5772%0.722SS**G310 helixtrans-75-28.2178.900000113.4I387A385-I387 VanDerWaalsContact C-N 3.32Å; A385-I387 PolarHBondContact O-N 3.2Å
386C43.3Very low43.5Very low80 Ų80132.7 Ų132.754%0.54172%0.721SS.*G310 helixtrans-78.8-10.9-173.4-149.60000114.1
387I44.4Very low43.9Very low103 Ų103131.1 Ų131.153%0.52872%0.718SS.*G310 helixtrans-93.6-16.6-174.3-58.4173.2000112A385A385-I387 VanDerWaalsContact C-N 3.32Å; A385-I387 PolarHBondContact O-N 3.2Å
388Q43.6Very low44.2Very low130 Ų130138.5 Ų138.561%0.60772%0.723SS**THydrogen-bonded Turntrans-86.6-21-180-79-173.6-51.200114.2F390Q388-F390 PolarHBondContact O-N 2.65Å
389E44.9Very low44.8Very low136 Ų136133.6 Ų133.664%0.63671%0.714SS**G310 helixtrans-72-26.9-174.1-70.4180162.800113.9
390F47.2Very low45.2Very low155 Ų155137.2 Ų137.268%0.6872%0.723SS**G310 helixtrans-84.5-11.2-178.3-73.7-80.8000114.9Q388 F392Q388-F390 PolarHBondContact O-N 2.65Å; F390-F392 VanDerWaalsContact C-N 3.27Å; F390-F392 PolarHBondContact O-N 3.34Å
391R50.3Low46.1Very low181 Ų181137.1 Ų137.168%0.68372%0.719SS**G310 helixtrans-77.6-13.7-177.3-76.4-162.8-178.8126.91.4114.1
392F45.4Very low46.8Very low183 Ų183136 Ų13680%0.80370%0.704SS**SBendtrans-122.26.8-173.7-60.4-70.9000113.6F390F390-F392 VanDerWaalsContact C-N 3.27Å; F390-F392 PolarHBondContact O-N 3.34Å
393Q46Very low47.5Very low142 Ų142136.5 Ų136.566%0.66471%0.707SS**SBendtrans-97.6134.9171.3-66.8-157.1-19.400110.2
394P48.4Very low47.5Very low102 Ų102135.8 Ų135.866%0.66270%0.701SS**PPolyproline II helixtrans-59.7145.3169.526.2-31.8000108.9
395P46.8Very low48.1Very low113 Ų113132.8 Ų132.873%0.73470%0.698SS**PPolyproline II helixtrans-56.8147.3177.623.2-31.7000110.2L397P395-L397 PolarHBondContact O-N 2.91Å
396P53.1Low48.2Very low121 Ų121134.2 Ų134.279%0.78671%0.705SS**PPolyproline II helixtrans-56.9141.4177.823.9-32.5000110Y398P396-Y398 PolarHBondContact O-N 2.92Å
397L47.9Very low48.3Very low172 Ų172138.7 Ų138.790%0.90172%0.723SS**PPolyproline II helixtrans-55.8134.6177.8-72.5165.3000109.7P395 A399P395-L397 PolarHBondContact O-N 2.91Å; L397-A399 PolarHBondContact O-N 3.04Å; L397-A399 VanDerWaalsContact O-N 3.15Å
398Y42.7Very low48.3Very low234 Ų234139.7 Ų139.792%0.91873%0.733SS**PPolyproline II helixtrans-58.8120.4173.3-81.7-86.5000108.8P396P396-Y398 PolarHBondContact O-N 2.92Å
399A51.1Low48.2Very low83 Ų83142.4 Ų142.469%0.68675%0.746SS**PPolyproline II helixtrans-72.4126.1168.100000108.1L397 V401L397-A399 PolarHBondContact O-N 3.04Å; L397-A399 VanDerWaalsContact O-N 3.15Å; A399-V401 PolarHBondContact O-N 3.32Å
400E51.1Low47.8Very low202 Ų202145 Ų14594%0.94476%0.759SS**SBendtrans-66.7-12.1175.3-70.6-174.6158.400112.9
401V54.6Low47.3Very low119 Ų119144.4 Ų144.472%0.72177%0.767SS**SBendtrans-102.3115.1179.9-175.60000109.1A399 P403A399-V401 PolarHBondContact O-N 3.32Å; V401-P403 WeakPolarHBondContact O-CD 3.21Å
402D53.3Low46.7Very low103 Ų103144.5 Ų144.555%0.55178%0.776SS**  trans-61.7120.6172.9-175.6-6.3000109.7H404D402-H404 PolarHBondContact O-N 3.25Å; D402-H404 PolarHBondContact OD1-N 2.99Å
403P55.1Low46.4Very low107 Ų107141.7 Ų141.770%0.69578%0.776SS**SBendtrans-68.8-6.2178.725.5-31.6000114.2V401V401-P403 WeakPolarHBondContact O-CD 3.21Å
404H42.6Very low45.9Very low152 Ų152140.9 Ų140.970%0.70478%0.78SS**SBendtrans-133.568.9177.1-58.585.6000112.3D402 S406D402-H404 PolarHBondContact O-N 3.25Å; D402-H404 PolarHBondContact OD1-N 2.99Å; H404-S406 PolarHBondContact O-N 3.02Å
405P55.2Low45.2Very low101 Ų101141.1 Ų141.166%0.65678%0.784SS**  trans-63.4127.917827.5-32.8000110.2D407P405-D407 PolarHBondContact O-N 2.83Å
406S44.5Very low44.7Very low100 Ų100145.1 Ų145.170%0.69979%0.79SS**  trans-70.9122.217244.80000110.1H404 V408H404-S406 PolarHBondContact O-N 3.02Å; S406-V408 PolarHBondContact O-N 3.17Å; S406-V408 VanDerWaalsContact O-N 3.14Å
407D45.9Very low44Very low174 Ų174146.5 Ų146.593%0.9379%0.79SS**  trans-58.3114.7173.5-78-39.5000110.1P405P405-D407 PolarHBondContact O-N 2.83Å
408V44.8Very low43.6Very low123 Ų123149.7 Ų149.775%0.74581%0.807SS**  trans-101.7116.3172.31800000107.7S406 E410S406-V408 PolarHBondContact O-N 3.17Å; S406-V408 VanDerWaalsContact O-N 3.14Å; V408-E410 PolarHBondContact O-N 3.06Å
409E40.6Very low43.6Very low187 Ų187145.5 Ų145.587%0.87480%0.801SS**  trans-60.5116167-90.6-177.7139.700109.9T411E409-T411 PolarHBondContact O-N 2.89Å
410E36.9Very low43.2Very low192 Ų192148.8 Ų148.890%0.89781%0.807SS**  trans-60.5115.5172.1-76.2-175.7142.100110.7V408V408-E410 PolarHBondContact O-N 3.06Å
411T37.7Very low42.8Very low141 Ų141145.8 Ų145.887%0.86580%0.8SS**PPolyproline II helixtrans-87.7119.4164.6120000108.5E409E409-T411 PolarHBondContact O-N 2.89Å
412Q36.4Very low42.1Very low184 Ų184147.4 Ų147.486%0.8680%0.804SS**PPolyproline II helixtrans-52.6143.7-178-77.8175.5-25.800114.1
413P39.2Very low41.4Very low123 Ų123150.2 Ų150.280%0.79982%0.82SS**PPolyproline II helixtrans-81.7129.7169.230.4-30.1000112.2
414V36.5Very low40.5Very low125 Ų125153.1 Ų153.176%0.75883%0.828SS**PPolyproline II helixtrans-68.8123.9168.8-178.50000109.2
415S34.2Very low40.3Very low107 Ų107153.1 Ų153.175%0.74884%0.837SS**PPolyproline II helixtrans-87.3122.3176.5-4.20000110.2
416F36.4Very low39.2Very low197 Ų197157.2 Ų157.286%0.86485%0.851SS**PPolyproline II helixtrans-94.7123.8160.7-76-86.8000108.7
417I37.4Very low38.7Very low150 Ų150161.9 Ų161.977%0.76986%0.864SS**  trans-131118.6162.7-66-179.4000108.2
418L38.8Very low38.1Very low240 Ų240160.8 Ų160.8100%1.25786%0.858SS**  trans57.50163.9-75.4157.4000119.6

Retrieved 418 of 418 residues in 935.5 ms (Link to these results)