A0A096NCK6_PAPAN Loading...

SH2 domain-containing protein 5

May be involved in synaptic plasticity regulation through the control of Rac-GTP levels.

AlphaFold DB , UniProt , Accession A0A096NCK6, Species PAPAN (Papio anubis, Olive baboon), Gene SH2D5, Length 427 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
1M33.6Very low33.5Very low225 Ų225149.6 Ų149.6100%1.10888%0.876SS**  0134.30-8616669.400108.4
2Q32.9Very low34Very low185 Ų185145.8 Ų145.886%0.86486%0.864SS**  trans66151.7166.1-57178.714.100119
3K32.3Very low34.1Very low211 Ų211147.2 Ų147.292%0.91787%0.865SS**  cis-162.5160.7-46.7-149.8-174.8-176.2-176.80105
4A32.9Very low34.3Very low102 Ų102145.1 Ų145.184%0.84386%0.86SS**  trans-55.3155.7-170.600000118.1
5G30.6Very low34.2Very low80 Ų80139.9 Ų139.983%0.82585%0.849SS**  trans-134.8116156.500000109.7
6A32.7Very low34Very low107 Ų107141.8 Ų141.888%0.88485%0.852SS**  trans-80.8124.6-169.400000112.8
7G32.9Very low33.9Very low73 Ų73138.3 Ų138.375%0.75384%0.841SS**  trans-94111.7164.900000110.1R9G7-R9 PolarHBondContact O-N 3.45Å
8G32.6Very low34Very low79 Ų79136.8 Ų136.881%0.81484%0.835SS**PPolyproline II helixtrans-60.2116.1179.500000112.3
9R37.1Very low34.2Very low247 Ų247139.6 Ų139.693%0.93284%0.837SS**PPolyproline II helixtrans-81.4117.8165.1-70.5-173.5-168.3-120.71.6108G7G7-R9 PolarHBondContact O-N 3.45Å
10R36.7Very low34.7Very low242 Ų242143.9 Ų143.991%0.91384%0.838SS**PPolyproline II helixtrans-54138.1170.9-70.4-179.4-173-158.60.2109.4S12R10-S12 PolarHBondContact O-N 2.87Å
11A34.3Very low35.8Very low95 Ų95140.2 Ų140.279%0.78582%0.818SS**PPolyproline II helixtrans-49.1126.9173.400000109.9D13A11-D13 PolarHBondContact O-N 3.33Å
12S39.6Very low37.8Very low104 Ų104138.7 Ų138.773%0.72780%0.801SS**PPolyproline II helixtrans-60.1124168.5-170.70000107.9R10 C14R10-S12 PolarHBondContact O-N 2.87Å; S12-C14 VanDerWaalsContact C-N 3.28Å; S12-C14 PolarHBondContact O-N 2.96Å
13D35.4Very low40.2Very low164 Ų164133.3 Ų133.388%0.87778%0.782SS**  trans-55.691.6166.4-84.8-40.2000109.2A11 G15A11-D13 PolarHBondContact O-N 3.33Å; D13-G15 PolarHBondContact O-N 3.2Å
14C36Very low43.1Very low117 Ų117124 Ų12479%0.79174%0.742SS**  trans-75.881.6163-720000107.1S12 L16S12-C14 VanDerWaalsContact C-N 3.28Å; S12-C14 PolarHBondContact O-N 2.96Å; C14-L16 PolarHBondContact O-N 3.07Å
15G33Very low46Very low68 Ų68121.7 Ų121.770%0.70172%0.718SS**  trans-52.1128.5165.500000109.4D13 A17D13-G15 PolarHBondContact O-N 3.2Å; G15-A17 PolarHBondContact O-N 3.32Å
16L32Very low49.1Very low170 Ų170119.7 Ų119.789%0.8969%0.687SS**  trans-51.7110.5173.4-70.9163.1000108.3C14C14-L16 PolarHBondContact O-N 3.07Å
17A32.1Very low52.2Low82 Ų82121.3 Ų121.368%0.67867%0.674SS**  trans-53128.6170.100000107.3G15 H19G15-A17 PolarHBondContact O-N 3.32Å; A17-H19 PolarHBondContact O-N 3.21Å
18P35.3Very low55.2Low112 Ų112118.3 Ų118.373%0.72764%0.642SS**  trans-55.9123.1-178.720-30000107.9R20P18-R20 VanDerWaalsContact C-N 3.27Å; P18-R20 PolarHBondContact O-N 3.1Å
19H36.8Very low58.4Low189 Ų189118.6 Ų118.688%0.87562%0.622SS**  trans-52.594.3174.3-89.7-74.8000108.2A17 P21A17-H19 PolarHBondContact O-N 3.21Å; H19-P21 WeakPolarHBondContact O-CD 3.44Å
20R46.1Very low61.3Low226 Ų226109 Ų10985%0.85359%0.586SS**  trans-65.1120172.1-81.6-170.3178.7176.31.2105.5P18 R22P18-R20 VanDerWaalsContact C-N 3.27Å; P18-R20 PolarHBondContact O-N 3.1Å; R20-R22 PolarHBondContact O-N 3.26Å
21P56.4Low64.2Low66 Ų6698.3 Ų98.343%0.42955%0.548SS..  trans-56.1129.7175.523-31.4000107.4H19 C23H19-P21 WeakPolarHBondContact O-CD 3.44Å; P21-C23 PolarHBondContact O-N 3.49Å
22R75.4Confident67.1Low194 Ų19494.8 Ų94.873%0.73252%0.521SS*.  trans-55.9115.9176.4-74.1178.2171.8-169.5-0.3107.5R20 C287R20-R22 PolarHBondContact O-N 3.26Å; R22-C287 WeakPolarHBondContact CD-SG 3.49Å; R22-C287 PolarHBondContact NH1-SG 3.46Å
23C84.6Confident69.7Low71 Ų7192.2 Ų92.248%0.4850%0.503SS..  trans-112.5135.3179.265.50000110P21 F68P21-C23 PolarHBondContact O-N 3.49Å; C23-F68 CarbonylContact C-O 3.58Å; C23-F68 WeakPolarHBondContact CA-O 3.24Å
24I91.6Very high72.5Confident15 Ų1585.5 Ų85.58%0.07747%0.466CS..EExtended strand (participates in β ladder)trans-97.8130.7174.6-64.9175.8000107.9K26 K67 F68 L137 L288 E290I24-K26 HydrophobicContact CG2-CG 4.4Å; I24-K67 CarbonylContact O-C 3.6Å; I24-K67 WeakPolarHBondContact O-CA 3.21Å; I24-F68 HydrophobicContact CB-CB 4.41Å; I24-F68 PolarHBondContact N-O 2.97Å; I24-F68 PolarHBondContact O-N 3.23Å; I24-L137 HydrophobicContact CD1-CD2 3.65Å; I24-L137 HydrophobicContact CG2-CD1 3.79Å; I24-L137 HydrophobicContact CG2-CD2 4.47Å; I24-L288 HydrophobicContact CD1-CB 4.23Å; I24-L288 HydrophobicContact CD1-CD2 3.78Å; I24-L288 HydrophobicContact CD1-CG 3.64Å; I24-L288 HydrophobicContact CG1-CD2 4.25Å; I24-E290 HydrophobicContact CD1-CB 4.02Å; I24-E290 HydrophobicContact CD1-CG 4.4Å; I24-E290 HydrophobicContact CG2-CG 4Å; I24-E290 WeakPolarHBondContact CG2-OE2 3.21Å
25T94.8Very high75.1Confident54 Ų5483.9 Ų83.933%0.33145%0.454SS..EExtended strand (participates in β ladder)trans-109.1130.1-176.8-57.40000109.9I65 L66 K67T25-I65 HydrophobicContact CG2-CG2 3.3Å; T25-L66 CarbonylContact C-O 3.56Å; T25-L66 WeakPolarHBondContact CA-O 3.4Å; T25-K67 HydrophobicContact CG2-CG 4.28Å
26K96.3Very high77.9Confident39 Ų3980.8 Ų80.817%0.1742%0.422CS..EExtended strand (participates in β ladder)trans-132.9161.2177.9-65.4-71.2-179.4174.80110.5I24 I65 L66 F68 I133 L134 L137 E290I24-K26 HydrophobicContact CG2-CG 4.4Å; K26-I65 CarbonylContact O-C 3.58Å; K26-I65 WeakPolarHBondContact O-CA 3.23Å; K26-L66 PolarHBondContact N-O 2.93Å; K26-L66 PolarHBondContact O-N 3.43Å; K26-F68 HydrophobicContact CB-CE2 4.19Å; K26-F68 HydrophobicContact CG-CD2 4.48Å; K26-F68 HydrophobicContact CG-CE2 4.17Å; K26-I133 HydrophobicContact CD-CG2 4.29Å; K26-L134 HydrophobicContact CB-CD2 3.41Å; K26-L134 VanDerWaalsContact CB-CD2 3.41Å; K26-L134 HydrophobicContact CG-CD2 3.81Å; K26-L137 HydrophobicContact CG-CD1 4.05Å; K26-E290 WeakPolarHBondContact CE-OE1 3.13Å; K26-E290 IonicContact NZ-OE1 2.85Å; K26-E290 PolarHBondContact NZ-OE1 3.26Å
27F96.6Very high80.2Confident140 Ų14077.6 Ų77.661%0.61441%0.406SS*.EExtended strand (participates in β ladder)trans-116.8141.4-178.9-58.3-88.1000109I65F27-I65 HydrophobicContact CD1-CD1 4.38Å; F27-I65 HydrophobicContact CD1-CG1 3.79Å; F27-I65 HydrophobicContact CE1-CD1 3.8Å; F27-I65 HydrophobicContact CE1-CG1 3.71Å
28A97.5Very high82Confident10 Ų1079.7 Ų79.78%0.08341%0.405CS..EExtended strand (participates in β ladder)trans-156.7178173.500000109.8V64 L66 F123 L134A28-V64 PolarHBondContact N-O 3.2Å; A28-V64 VanDerWaalsContact N-O 3.16Å; A28-V64 VanDerWaalsContact O-CG2 3.32Å; A28-V64 WeakPolarHBondContact O-CG2 3.31Å; A28-V64 PolarHBondContact O-N 3.23Å; A28-V64 VanDerWaalsContact O-O 3.14Å; A28-L66 HydrophobicContact CB-CD1 3.63Å; A28-F123 HydrophobicContact CB-CB 4.26Å; A28-L134 HydrophobicContact CB-CD1 4.07Å
29Q97.8Very high83.9Confident85 Ų8577.8 Ų77.840%0.39739%0.389SS..EExtended strand (participates in β ladder)trans-108125.7169.2-60-175.5-31.300109.7R61 R62 F123 V124Q29-R61 HydrophobicContact CB-CB 4.08Å; Q29-R61 VanDerWaalsContact OE1-CD 3.24Å; Q29-R62 CarbonylContact C-O 3.49Å; Q29-R62 WeakPolarHBondContact CA-O 3.45Å; Q29-F123 CarbonylContact O-C 3.5Å; Q29-F123 WeakPolarHBondContact O-CA 3.49Å; Q29-V124 PolarHBondContact N-O 3.18Å; Q29-V124 PolarHBondContact O-N 3.14Å
30Y97.9Very high86.3Confident45 Ų4573.3 Ų73.318%0.17637%0.371CS..EExtended strand (participates in β ladder)trans-83.7124.9174.6177.8-113.3000110.2G32 S33 R61 R62 M85 H121 L122 F123Y30-G32 VanDerWaalsContact CE2-O 3.24Å; Y30-G32 WeakPolarHBondContact CE2-O 3.31Å; Y30-G32 VanDerWaalsContact CZ-C 3.4Å; Y30-G32 PolarHBondContact OH-O 3Å; Y30-S33 PolarHBondContact OH-N 2.82Å; Y30-S33 PolarHBondContact OH-OG 2.9Å; Y30-R61 CarbonylContact O-C 3.47Å; Y30-R61 WeakPolarHBondContact O-CA 3.44Å; Y30-R62 PolarHBondContact N-O 2.97Å; Y30-R62 PolarHBondContact O-N 2.9Å; Y30-M85 HydrophobicContact CD2-CE 4.11Å; Y30-M85 HydrophobicContact CE1-CE 4.4Å; Y30-M85 HydrophobicContact CE2-CE 3.66Å; Y30-H121 HydrophobicContact CE2-CB 4.4Å; Y30-L122 WeakPolarHBondContact CD2-O 3.45Å; Y30-F123 AromaticContact CD2-CD1 3.96Å; Y30-F123 HydrophobicContact CD2-CD1 3.96Å; Y30-F123 AromaticContact CD2-CE1 3.53Å; Y30-F123 HydrophobicContact CD2-CE1 3.53Å; Y30-F123 HydrophobicContact CD2-CE2 4.33Å; Y30-F123 AromaticContact CD2-CZ 3.74Å; Y30-F123 HydrophobicContact CD2-CZ 3.74Å; Y30-F123 HydrophobicContact CE2-CE1 4.42Å; Y30-F123 HydrophobicContact CE2-CZ 4.2Å; Y30-F123 HydrophobicContact CG-CE1 4.21Å
31V97.6Very high88.1Confident18 Ų1865.2 Ų65.211%0.10935%0.347CS..EExtended strand (participates in β ladder)trans-89.2-47.5-179.9-178.50000110.1C58 R61 L122 V124V31-C58 HydrophobicContact CG1-CB 3.83Å; V31-R61 HydrophobicContact CG2-CG 4.38Å; V31-L122 HydrophobicContact CB-CB 4.3Å; V31-L122 HydrophobicContact CB-CD2 4.04Å; V31-L122 HydrophobicContact CB-CG 4.03Å; V31-L122 HydrophobicContact CG1-CD2 4.07Å; V31-L122 HydrophobicContact CG2-CD2 4.26Å; V31-L122 HydrophobicContact CG2-CG 4.11Å; V31-L122 PolarHBondContact N-O 3.1Å; V31-V124 HydrophobicContact CG2-CB 4.35Å; V31-V124 HydrophobicContact CG2-CG2 3.51Å
32G95.3Very high89.6Confident22 Ų2264.7 Ų64.723%0.22734%0.339CS..EExtended strand (participates in β ladder)trans164.3-175.4-176.500000113Y30 L122Y30-G32 VanDerWaalsContact CE2-O 3.24Å; Y30-G32 WeakPolarHBondContact CE2-O 3.31Å; Y30-G32 VanDerWaalsContact CZ-C 3.4Å; Y30-G32 PolarHBondContact OH-O 3Å; G32-L122 PolarHBondContact O-N 2.98Å
33S94.6Very high90.3Very high50 Ų5060.6 Ų60.635%0.3533%0.328SS..EExtended strand (participates in β ladder)trans-127.6145.7170.7-62.30000110.2Y30 C120 H121Y30-S33 PolarHBondContact OH-N 2.82Å; Y30-S33 PolarHBondContact OH-OG 2.9Å; S33-C120 WeakPolarHBondContact CA-O 3.18Å; S33-H121 PolarHBondContact OG-CE1 3.44Å; S33-H121 PolarHBondContact OG-ND1 2.96Å
34F93.6Very high90.6Very high23 Ų2358 Ų5810%0.10131%0.311CS..EExtended strand (participates in β ladder)trans-130.4147.7171.254-90.8000109.8V36 V48 Q51 L52 L55 F119 C120F34-V36 HydrophobicContact CD2-CG2 4.42Å; F34-V36 HydrophobicContact CE2-CG2 4.25Å; F34-V48 HydrophobicContact CE2-CG2 4.36Å; F34-Q51 HydrophobicContact CD1-CB 4.33Å; F34-Q51 HydrophobicContact CD2-CB 4.11Å; F34-Q51 HydrophobicContact CD2-CG 3.87Å; F34-Q51 HydrophobicContact CE1-CB 3.77Å; F34-Q51 HydrophobicContact CE2-CB 3.51Å; F34-Q51 HydrophobicContact CE2-CG 3.61Å; F34-Q51 HydrophobicContact CG-CB 4.48Å; F34-Q51 HydrophobicContact CG-CG 4.43Å; F34-Q51 HydrophobicContact CZ-CB 3.31Å; F34-Q51 HydrophobicContact CZ-CG 3.98Å; F34-L52 HydrophobicContact CZ-CD1 4.27Å; F34-L55 HydrophobicContact CD1-CD1 4.08Å; F34-L55 HydrophobicContact CE1-CD1 4.14Å; F34-F119 WeakPolarHBondContact O-CA 3.17Å; F34-C120 HydrophobicContact CD1-CB 4.36Å; F34-C120 HydrophobicContact CD2-CB 3.91Å; F34-C120 HydrophobicContact CE1-CB 3.88Å; F34-C120 HydrophobicContact CE2-CB 3.38Å; F34-C120 HydrophobicContact CG-CB 4.38Å; F34-C120 HydrophobicContact CZ-CB 3.37Å; F34-C120 WeakPolarHBondContact CZ-SG 3.34Å; F34-C120 PolarHBondContact N-O 3.14Å; F34-C120 VanDerWaalsContact N-O 3.13Å; F34-C120 PolarHBondContact O-N 2.94Å
35P92.4Very high90.6Very high83 Ų8357.7 Ų57.754%0.53931%0.309SS..EExtended strand (participates in β ladder)trans-66.1144.3175.929.7-34.3000110.2L118 F119P35-L118 WeakPolarHBondContact CA-O 3.31Å; P35-F119 HydrophobicContact CB-CE1 4.41Å
36V90.4Very high90.4Very high3 Ų362.4 Ų62.42%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-113.6117.1166.9-177.80000105.3F34 V48 V107 L118 C120F34-V36 HydrophobicContact CD2-CG2 4.42Å; F34-V36 HydrophobicContact CE2-CG2 4.25Å; V36-V48 HydrophobicContact CG2-CG2 3.94Å; V36-V107 HydrophobicContact CB-CG1 4.46Å; V36-V107 HydrophobicContact CG2-CG1 4.25Å; V36-V107 HydrophobicContact CG2-CG2 4.45Å; V36-L118 HydrophobicContact CB-CB 4.08Å; V36-L118 PolarHBondContact N-O 2.74Å; V36-C120 HydrophobicContact CG2-CB 3.75Å
37D80.3Confident90.2Very high103 Ų10362.3 Ų62.355%0.55132%0.322SS*.  trans-65.3161.7-179.6-66.4-39.3000111L39D37-L39 HydrophobicContact CB-CD1 4.44Å; D37-L39 HydrophobicContact CB-CG 4.07Å; D37-L39 PolarHBondContact O-N 2.91Å
38D70.4Confident90.1Very high126 Ų12655.7 Ų55.767%0.67429%0.293SS*.SBendtrans-74.471.2179-159.77.5000110.1S116D38-S116 WeakPolarHBondContact OD2-CB 3.47Å
39L76.2Confident89.9Confident72 Ų7259.1 Ų59.138%0.37731%0.307SS..  trans-101.6170.1-179.5-60.6174.5000110.7D37 E43 L47D37-L39 HydrophobicContact CB-CD1 4.44Å; D37-L39 HydrophobicContact CB-CG 4.07Å; D37-L39 PolarHBondContact O-N 2.91Å; L39-E43 HydrophobicContact CB-CB 3.91Å; L39-E43 HydrophobicContact CD1-CB 4.24Å; L39-L47 HydrophobicContact CD1-CD2 4.24Å
40D85.3Confident89.7Confident94 Ų9458.8 Ų58.850%0.50331%0.306SS..  trans-54.3153166177.967000110.5Q42 E43 S44D40-Q42 PolarHBondContact O-N 3.41Å; D40-Q42 WeakPolarHBondContact OD2-CB 3.45Å; D40-Q42 PolarHBondContact OD2-N 2.9Å; D40-E43 HydrophobicContact CB-CB 4.45Å; D40-E43 HydrophobicContact CB-CG 4.21Å; D40-E43 PolarHBondContact N-OE2 3.01Å; D40-E43 PolarHBondContact O-N 3.37Å; D40-S44 WeakPolarHBondContact O-CB 3.48Å; D40-S44 PolarHBondContact O-N 3.46Å; D40-S44 PolarHBondContact O-OG 3.36Å
41T84.7Confident89.6Confident57 Ų5760 Ų6035%0.3531%0.313SS..Hα-helixtrans-56.9-38.9-177.7-59.70000111.7V45 V318 L392T41-V45 WeakPolarHBondContact O-CG2 3.29Å; T41-V45 PolarHBondContact O-N 3.49Å; T41-V45 VanDerWaalsContact O-N 3.13Å; T41-V318 HydrophobicContact CG2-CG1 4.22Å; T41-L392 HydrophobicContact CG2-CD1 3.85Å; T41-L392 HydrophobicContact CG2-CD2 3.98Å; T41-L392 HydrophobicContact CG2-CG 4.48Å
42Q88.9Confident89.4Confident54 Ų5459.6 Ų59.625%0.25231%0.31SS..Hα-helixtrans-71.6-41.3179.1-67.4-52.5-64.700112.8D40 S44 V45 W46 L319D40-Q42 PolarHBondContact O-N 3.41Å; D40-Q42 WeakPolarHBondContact OD2-CB 3.45Å; D40-Q42 PolarHBondContact OD2-N 2.9Å; Q42-S44 VanDerWaalsContact C-N 3.3Å; Q42-S44 PolarHBondContact O-N 3.13Å; Q42-V45 PolarHBondContact O-N 2.98Å; Q42-W46 PolarHBondContact O-N 2.83Å; Q42-L319 HydrophobicContact CG-CD1 4.05Å; Q42-L319 HydrophobicContact CG-CG 4.08Å; Q42-L319 VanDerWaalsContact OE1-CB 3.25Å; Q42-L319 VanDerWaalsContact OE1-N 3.16Å
43E89.9Confident89.4Confident109 Ų10966.3 Ų66.351%0.50933%0.329SS..Hα-helixtrans-63-40.6176.7-66.2-179154.300111.2L39 D40 V45 W46 L47L39-E43 HydrophobicContact CB-CB 3.91Å; L39-E43 HydrophobicContact CD1-CB 4.24Å; D40-E43 HydrophobicContact CB-CB 4.45Å; D40-E43 HydrophobicContact CB-CG 4.21Å; D40-E43 PolarHBondContact N-OE2 3.01Å; D40-E43 PolarHBondContact O-N 3.37Å; E43-V45 PolarHBondContact O-N 3.31Å; E43-W46 PolarHBondContact O-N 3.5Å; E43-L47 WeakPolarHBondContact O-CB 3.4Å; E43-L47 PolarHBondContact O-N 3.23Å
44S89.9Confident89.4Confident17 Ų1767.3 Ų67.312%0.11934%0.34CS..Hα-helixtrans-60.1-44.4174.6-63.40000112.1D40 Q42 L47 V48D40-S44 WeakPolarHBondContact O-CB 3.48Å; D40-S44 PolarHBondContact O-N 3.46Å; D40-S44 PolarHBondContact O-OG 3.36Å; Q42-S44 VanDerWaalsContact C-N 3.3Å; Q42-S44 PolarHBondContact O-N 3.13Å; S44-L47 PolarHBondContact O-N 2.7Å; S44-V48 VanDerWaalsContact O-CG2 3.28Å; S44-V48 WeakPolarHBondContact O-CG2 3.29Å; S44-V48 PolarHBondContact O-N 3.46Å
45V91.7Very high89.4Confident7 Ų768.5 Ų68.54%0.04235%0.347CS..Hα-helixtrans-64.3-44.5178.7170.50000110.9T41 Q42 E43 V48 Q49 Y94 V318T41-V45 WeakPolarHBondContact O-CG2 3.29Å; T41-V45 PolarHBondContact O-N 3.49Å; T41-V45 VanDerWaalsContact O-N 3.13Å; Q42-V45 PolarHBondContact O-N 2.98Å; E43-V45 PolarHBondContact O-N 3.31Å; V45-V48 PolarHBondContact O-N 3.36Å; V45-Q49 WeakPolarHBondContact O-CG 3.42Å; V45-Q49 PolarHBondContact O-N 3.02Å; V45-Y94 HydrophobicContact CG1-CE1 4.31Å; V45-Y94 WeakPolarHBondContact CG1-OH 3.36Å; V45-Y94 HydrophobicContact CG2-CD1 4.41Å; V45-Y94 HydrophobicContact CG2-CE1 3.98Å; V45-Y94 HydrophobicContact CG2-CE2 4.14Å; V45-V318 HydrophobicContact CG2-CB 4.41Å; V45-V318 HydrophobicContact CG2-CG1 3.56Å
46W91.1Very high89.4Confident154 Ų15467.8 Ų67.858%0.58334%0.336SS*.Hα-helixtrans-61.5-44.8176.8-178.684.7000111.7Q42 E43 V48 Q49 Q50Q42-W46 PolarHBondContact O-N 2.83Å; E43-W46 PolarHBondContact O-N 3.5Å; W46-V48 VanDerWaalsContact C-N 3.32Å; W46-V48 PolarHBondContact O-N 3.14Å; W46-Q49 PolarHBondContact O-N 3.12Å; W46-Q50 HydrophobicContact CD2-CG 4.03Å; W46-Q50 HydrophobicContact CE3-CG 4.14Å; W46-Q50 HydrophobicContact CH2-CG 3.86Å; W46-Q50 HydrophobicContact CZ2-CG 3.73Å; W46-Q50 HydrophobicContact CZ3-CG 4.07Å; W46-Q50 WeakPolarHBondContact O-CG 3.42Å; W46-Q50 PolarHBondContact O-N 3.31Å
47L92.7Very high89.5Confident37 Ų3773.8 Ų73.819%0.19437%0.368CS..Hα-helixtrans-58.3-44.4175.1177.464.5000111.5L39 E43 S44 Q49 Q50 Q51L39-L47 HydrophobicContact CD1-CD2 4.24Å; E43-L47 WeakPolarHBondContact O-CB 3.4Å; E43-L47 PolarHBondContact O-N 3.23Å; S44-L47 PolarHBondContact O-N 2.7Å; L47-Q49 PolarHBondContact O-N 3.04Å; L47-Q50 PolarHBondContact O-N 2.66Å; L47-Q51 HydrophobicContact CD1-CG 4.43Å; L47-Q51 WeakPolarHBondContact O-CG 3.24Å; L47-Q51 PolarHBondContact O-N 3.05Å
48V94.6Very high90Very high1 Ų170.2 Ų70.21%0.00635%0.351CS..Hα-helixtrans-60-46.4176.6168.40000110.8F34 V36 S44 V45 W46 Q50 Q51 L52 T96 V107 C120F34-V48 HydrophobicContact CE2-CG2 4.36Å; V36-V48 HydrophobicContact CG2-CG2 3.94Å; S44-V48 VanDerWaalsContact O-CG2 3.28Å; S44-V48 WeakPolarHBondContact O-CG2 3.29Å; S44-V48 PolarHBondContact O-N 3.46Å; V45-V48 PolarHBondContact O-N 3.36Å; W46-V48 VanDerWaalsContact C-N 3.32Å; W46-V48 PolarHBondContact O-N 3.14Å; V48-Q50 VanDerWaalsContact C-N 3.35Å; V48-Q50 PolarHBondContact O-N 3.11Å; V48-Q51 PolarHBondContact O-N 2.92Å; V48-L52 HydrophobicContact CG1-CD1 3.84Å; V48-L52 VanDerWaalsContact O-CD1 3.23Å; V48-L52 WeakPolarHBondContact O-CD1 3.28Å; V48-L52 PolarHBondContact O-N 3.04Å; V48-T96 HydrophobicContact CG1-CG2 3.98Å; V48-V107 HydrophobicContact CG2-CG2 3.86Å; V48-C120 HydrophobicContact CG2-CB 4.26Å
49Q92.8Very high90.9Very high81 Ų8170.2 Ų70.238%0.37936%0.358SS..Hα-helixtrans-60.1-42.7177.3-71.7175.8-6.900112.2V45 W46 L47 Q51 L52 W53 D388V45-Q49 WeakPolarHBondContact O-CG 3.42Å; V45-Q49 PolarHBondContact O-N 3.02Å; W46-Q49 PolarHBondContact O-N 3.12Å; L47-Q49 PolarHBondContact O-N 3.04Å; Q49-Q51 VanDerWaalsContact C-N 3.35Å; Q49-Q51 PolarHBondContact O-N 3.29Å; Q49-L52 PolarHBondContact O-N 2.91Å; Q49-W53 PolarHBondContact O-N 3.43Å; Q49-W53 VanDerWaalsContact O-N 3.08Å; Q49-D388 PolarHBondContact NE2-OD2 2.83Å
50Q93.4Very high91.8Very high78 Ų7873.3 Ų73.336%0.36436%0.364SS..Hα-helixtrans-60.5-43.4175.7-70.2-61.4-41.700112.2W46 L47 V48 W53 A54W46-Q50 HydrophobicContact CD2-CG 4.03Å; W46-Q50 HydrophobicContact CE3-CG 4.14Å; W46-Q50 HydrophobicContact CH2-CG 3.86Å; W46-Q50 HydrophobicContact CZ2-CG 3.73Å; W46-Q50 HydrophobicContact CZ3-CG 4.07Å; W46-Q50 WeakPolarHBondContact O-CG 3.42Å; W46-Q50 PolarHBondContact O-N 3.31Å; L47-Q50 PolarHBondContact O-N 2.66Å; V48-Q50 VanDerWaalsContact C-N 3.35Å; V48-Q50 PolarHBondContact O-N 3.11Å; Q50-W53 PolarHBondContact O-N 2.85Å; Q50-A54 PolarHBondContact O-N 3.44Å
51Q95.1Very high92.2Very high70 Ų7073.4 Ų73.433%0.32736%0.358SS..Hα-helixtrans-68.1-37.9178.4-69.6-65-25.500112.5F34 L47 V48 Q49 W53 A54 L55F34-Q51 HydrophobicContact CD1-CB 4.33Å; F34-Q51 HydrophobicContact CD2-CB 4.11Å; F34-Q51 HydrophobicContact CD2-CG 3.87Å; F34-Q51 HydrophobicContact CE1-CB 3.77Å; F34-Q51 HydrophobicContact CE2-CB 3.51Å; F34-Q51 HydrophobicContact CE2-CG 3.61Å; F34-Q51 HydrophobicContact CG-CB 4.48Å; F34-Q51 HydrophobicContact CG-CG 4.43Å; F34-Q51 HydrophobicContact CZ-CB 3.31Å; F34-Q51 HydrophobicContact CZ-CG 3.98Å; L47-Q51 HydrophobicContact CD1-CG 4.43Å; L47-Q51 WeakPolarHBondContact O-CG 3.24Å; L47-Q51 PolarHBondContact O-N 3.05Å; V48-Q51 PolarHBondContact O-N 2.92Å; Q49-Q51 VanDerWaalsContact C-N 3.35Å; Q49-Q51 PolarHBondContact O-N 3.29Å; Q51-W53 VanDerWaalsContact C-N 3.32Å; Q51-W53 PolarHBondContact O-N 3.42Å; Q51-A54 PolarHBondContact O-N 3.25Å; Q51-L55 WeakPolarHBondContact O-CB 3.43Å; Q51-L55 VanDerWaalsContact O-CG 3.28Å; Q51-L55 WeakPolarHBondContact O-CG 3.16Å; Q51-L55 PolarHBondContact O-N 3.19Å
52L94.5Very high92.8Very high10 Ų1076.5 Ų76.55%0.05236%0.363CS..Hα-helixtrans-58.2-46.5173.3-98.164.6000110.9F34 V48 Q49 L55 K56 T96 Q103 A105 L122F34-L52 HydrophobicContact CZ-CD1 4.27Å; V48-L52 HydrophobicContact CG1-CD1 3.84Å; V48-L52 VanDerWaalsContact O-CD1 3.23Å; V48-L52 WeakPolarHBondContact O-CD1 3.28Å; V48-L52 PolarHBondContact O-N 3.04Å; Q49-L52 PolarHBondContact O-N 2.91Å; L52-L55 PolarHBondContact O-N 3.13Å; L52-K56 PolarHBondContact O-N 2.9Å; L52-T96 HydrophobicContact CD2-CG2 4.18Å; L52-Q103 VanDerWaalsContact CB-OE1 3.31Å; L52-Q103 PolarHBondContact O-NE2 2.92Å; L52-Q103 PolarHBondContact O-OE1 2.87Å; L52-A105 HydrophobicContact CD1-CB 3.98Å; L52-A105 HydrophobicContact CD2-CB 4.34Å; L52-L122 HydrophobicContact CD1-CD1 4.09Å; L52-L122 HydrophobicContact CG-CD1 3.98Å
53W93.9Very high93.2Very high163 Ų16376.6 Ų76.662%0.61737%0.373SS*.Hα-helixtrans-63.4-42.7177.6-173.268.5000112.7Q49 Q50 Q51 L55 K56Q49-W53 PolarHBondContact O-N 3.43Å; Q49-W53 VanDerWaalsContact O-N 3.08Å; Q50-W53 PolarHBondContact O-N 2.85Å; Q51-W53 VanDerWaalsContact C-N 3.32Å; Q51-W53 PolarHBondContact O-N 3.42Å; W53-L55 VanDerWaalsContact C-N 3.26Å; W53-L55 PolarHBondContact O-N 2.99Å; W53-K56 WeakPolarHBondContact O-CD 3.44Å; W53-K56 WeakPolarHBondContact O-CG 3.23Å; W53-K56 PolarHBondContact O-N 2.96Å
54A95.3Very high93.6Very high71 Ų7171.5 Ų71.559%0.58735%0.35SS*.Hα-helixtrans-63.8-30.8176.900000112.9Q50 Q51Q50-A54 PolarHBondContact O-N 3.44Å; Q51-A54 PolarHBondContact O-N 3.25Å
55L94.3Very high93.9Very high48 Ų4871.6 Ų71.625%0.25135%0.348SS..THydrogen-bonded Turntrans-97.44.5-175.1-66173.4000114.5F34 Q51 L52 W53 D57 C58 L122F34-L55 HydrophobicContact CD1-CD1 4.08Å; F34-L55 HydrophobicContact CE1-CD1 4.14Å; Q51-L55 WeakPolarHBondContact O-CB 3.43Å; Q51-L55 VanDerWaalsContact O-CG 3.28Å; Q51-L55 WeakPolarHBondContact O-CG 3.16Å; Q51-L55 PolarHBondContact O-N 3.19Å; L52-L55 PolarHBondContact O-N 3.13Å; W53-L55 VanDerWaalsContact C-N 3.26Å; W53-L55 PolarHBondContact O-N 2.99Å; L55-D57 VanDerWaalsContact C-N 3.27Å; L55-D57 PolarHBondContact O-N 2.98Å; L55-C58 HydrophobicContact CD2-CB 4.42Å; L55-C58 VanDerWaalsContact O-CB 3.26Å; L55-C58 WeakPolarHBondContact O-CB 3.44Å; L55-C58 PolarHBondContact O-N 3.45Å; L55-C58 VanDerWaalsContact O-N 3.1Å; L55-L122 HydrophobicContact CB-CD2 3.71Å; L55-L122 HydrophobicContact CD1-CD2 3.8Å; L55-L122 HydrophobicContact CG-CD2 4.43Å
56K92.8Very high94.2Very high68 Ų6871.2 Ų71.230%0.29635%0.346SS..THydrogen-bonded Turntrans-53.9-41-178.373.3-173.4-175.6-178.10113.7L52 W53 R61 D101L52-K56 PolarHBondContact O-N 2.9Å; W53-K56 WeakPolarHBondContact O-CD 3.44Å; W53-K56 WeakPolarHBondContact O-CG 3.23Å; W53-K56 PolarHBondContact O-N 2.96Å; K56-R61 PolarHBondContact O-NH2 3.26Å; K56-R61 VanDerWaalsContact O-NH2 3.14Å; K56-D101 HydrophobicContact CB-CB 4.31Å
57D91.2Very high94.5Very high129 Ų12967 Ų6769%0.6933%0.332SS*.THydrogen-bonded Turntrans-98.113.5-176.9-62.8-47.4000112.9L55 P59L55-D57 VanDerWaalsContact C-N 3.27Å; L55-D57 PolarHBondContact O-N 2.98Å; D57-P59 VanDerWaalsContact O-CD 3.29Å; D57-P59 WeakPolarHBondContact O-CD 3.28Å
58C91.9Very high94.6Very high29 Ų2965.3 Ų65.320%0.19632%0.323CS..  trans-62.4119.2-177.8-176.40000110.8V31 L55 R61V31-C58 HydrophobicContact CG1-CB 3.83Å; L55-C58 HydrophobicContact CD2-CB 4.42Å; L55-C58 VanDerWaalsContact O-CB 3.26Å; L55-C58 WeakPolarHBondContact O-CB 3.44Å; L55-C58 PolarHBondContact O-N 3.45Å; L55-C58 VanDerWaalsContact O-N 3.1Å; C58-R61 PolarHBondContact O-NE 2.88Å; C58-R61 PolarHBondContact O-NH2 3.41Å
59P89.5Confident94.4Very high126 Ų12665.8 Ų65.882%0.81833%0.327SS*.  trans-80-22-176.631.4-35.2000112.4D57 R61D57-P59 VanDerWaalsContact O-CD 3.29Å; D57-P59 WeakPolarHBondContact O-CD 3.28Å; P59-R61 PolarHBondContact O-N 2.72Å
60R93.8Very high94.3Very high137 Ų13764.6 Ų64.652%0.51732%0.323SS..  trans-80.2105.5-177.8-171.9177.9-176.9-177.40.5109.5
61R94.8Very high94.1Very high95 Ų9566.9 Ų66.936%0.35833%0.333SS..  trans-139.5146.7-178.5-50.2-177.6-174.7-172.5-4.1110.6Q29 Y30 V31 K56 C58 P59Q29-R61 HydrophobicContact CB-CB 4.08Å; Q29-R61 VanDerWaalsContact OE1-CD 3.24Å; Y30-R61 CarbonylContact O-C 3.47Å; Y30-R61 WeakPolarHBondContact O-CA 3.44Å; V31-R61 HydrophobicContact CG2-CG 4.38Å; K56-R61 PolarHBondContact O-NH2 3.26Å; K56-R61 VanDerWaalsContact O-NH2 3.14Å; C58-R61 PolarHBondContact O-NE 2.88Å; C58-R61 PolarHBondContact O-NH2 3.41Å; P59-R61 PolarHBondContact O-N 2.72Å
62R96.1Very high94.1Very high122 Ų12263.8 Ų63.846%0.4632%0.32SS..EExtended strand (participates in β ladder)trans-122.9128.6178-175.9177.5-178.2179.71.4110.5Q29 Y30 V64Q29-R62 CarbonylContact C-O 3.49Å; Q29-R62 WeakPolarHBondContact CA-O 3.45Å; Y30-R62 PolarHBondContact N-O 2.97Å; Y30-R62 PolarHBondContact O-N 2.9Å; R62-V64 PolarHBondContact O-N 3.2Å
63A97.5Very high94.1Very high57 Ų5763.4 Ų63.447%0.47132%0.318SS..EExtended strand (participates in β ladder)trans-62.2132.7173.200000110.9G78A63-G78 WeakPolarHBondContact O-CA 3.33Å; A63-G78 PolarHBondContact O-N 3.41Å
64V98.2Very high94.2Very high2 Ų259.6 Ų59.61%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-140.9156.3-178-66.90000111.9A28 R62 L66 I75 Y76 L84 F123A28-V64 PolarHBondContact N-O 3.2Å; A28-V64 VanDerWaalsContact N-O 3.16Å; A28-V64 VanDerWaalsContact O-CG2 3.32Å; A28-V64 WeakPolarHBondContact O-CG2 3.31Å; A28-V64 PolarHBondContact O-N 3.23Å; A28-V64 VanDerWaalsContact O-O 3.14Å; R62-V64 PolarHBondContact O-N 3.2Å; V64-L66 HydrophobicContact CG2-CD1 3.9Å; V64-I75 HydrophobicContact CB-CG2 3.84Å; V64-I75 HydrophobicContact CG1-CG2 4Å; V64-I75 HydrophobicContact CG2-CG2 4.26Å; V64-Y76 VanDerWaalsContact CA-O 3.28Å; V64-Y76 WeakPolarHBondContact CA-O 3.35Å; V64-Y76 WeakPolarHBondContact CB-O 3.26Å; V64-L84 HydrophobicContact CG1-CD1 3.77Å; V64-F123 HydrophobicContact CG2-CD1 3.94Å; V64-F123 HydrophobicContact CG2-CE1 4.02Å
65I97.8Very high94.3Very high18 Ų1856.2 Ų56.29%0.09228%0.278CS..EExtended strand (participates in β ladder)trans-111.8121.7174-57.9179.9000109T25 K26 F27 K67 I75 Y76T25-I65 HydrophobicContact CG2-CG2 3.3Å; K26-I65 CarbonylContact O-C 3.58Å; K26-I65 WeakPolarHBondContact O-CA 3.23Å; F27-I65 HydrophobicContact CD1-CD1 4.38Å; F27-I65 HydrophobicContact CD1-CG1 3.79Å; F27-I65 HydrophobicContact CE1-CD1 3.8Å; F27-I65 HydrophobicContact CE1-CG1 3.71Å; I65-K67 HydrophobicContact CG2-CG 4.42Å; I65-I75 CarbonylContact O-C 3.57Å; I65-I75 WeakPolarHBondContact O-CA 3.35Å; I65-Y76 PolarHBondContact N-O 3.34Å; I65-Y76 PolarHBondContact O-N 3.24Å
66L97.6Very high94.4Very high0 Ų056 Ų560%027%0.274CS..EExtended strand (participates in β ladder)trans-97.8124.2177.4-68.190000109.7T25 K26 A28 V64 F68 L73 I75 F104 F123 L134T25-L66 CarbonylContact C-O 3.56Å; T25-L66 WeakPolarHBondContact CA-O 3.4Å; K26-L66 PolarHBondContact N-O 2.93Å; K26-L66 PolarHBondContact O-N 3.43Å; A28-L66 HydrophobicContact CB-CD1 3.63Å; V64-L66 HydrophobicContact CG2-CD1 3.9Å; L66-F68 HydrophobicContact CB-CD2 4.41Å; L66-F68 HydrophobicContact CB-CE2 3.69Å; L66-F68 HydrophobicContact CB-CZ 4.27Å; L66-F68 HydrophobicContact CD2-CE2 4.39Å; L66-F68 HydrophobicContact CD2-CZ 4.15Å; L66-L73 HydrophobicContact CB-CD1 4.13Å; L66-L73 HydrophobicContact CD2-CD1 4.35Å; L66-L73 HydrophobicContact CD2-CD2 4.38Å; L66-I75 HydrophobicContact CG-CG1 4.44Å; L66-F104 HydrophobicContact CD2-CE1 4.24Å; L66-F123 HydrophobicContact CD1-CD1 4.23Å; L66-F123 HydrophobicContact CD1-CE1 4.44Å; L66-F123 HydrophobicContact CD2-CD1 4.23Å; L66-F123 HydrophobicContact CD2-CE1 4.18Å; L66-F123 HydrophobicContact CD2-CZ 4.44Å; L66-F123 HydrophobicContact CG-CE1 4.46Å; L66-L134 HydrophobicContact CD2-CD2 4.34Å
67K96.1Very high94.6Very high65 Ų6552.9 Ų52.928%0.28326%0.261SS..EExtended strand (participates in β ladder)trans-113.4109175.2-65.4-169.3-178.81700110.3I24 T25 I65 K74 Y76I24-K67 CarbonylContact O-C 3.6Å; I24-K67 WeakPolarHBondContact O-CA 3.21Å; T25-K67 HydrophobicContact CG2-CG 4.28Å; I65-K67 HydrophobicContact CG2-CG 4.42Å; K67-K74 HydrophobicContact CB-CB 4.41Å; K67-K74 PolarHBondContact N-O 2.95Å; K67-K74 PolarHBondContact O-N 3.24Å; K67-Y76 HydrophobicContact CB-CE2 4.47Å; K67-Y76 HydrophobicContact CD-CD2 4.1Å; K67-Y76 HydrophobicContact CD-CE2 3.71Å; K67-Y76 HydrophobicContact CG-CD2 4.25Å; K67-Y76 HydrophobicContact CG-CE2 4.17Å
68F95.1Very high94.7Very high1 Ų148.1 Ų48.10%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-88.6138.7179.2-64-97.8000111.1C23 I24 K26 L66 L73 L134 L137 L138 L288C23-F68 CarbonylContact C-O 3.58Å; C23-F68 WeakPolarHBondContact CA-O 3.24Å; I24-F68 HydrophobicContact CB-CB 4.41Å; I24-F68 PolarHBondContact N-O 2.97Å; I24-F68 PolarHBondContact O-N 3.23Å; K26-F68 HydrophobicContact CB-CE2 4.19Å; K26-F68 HydrophobicContact CG-CD2 4.48Å; K26-F68 HydrophobicContact CG-CE2 4.17Å; L66-F68 HydrophobicContact CB-CD2 4.41Å; L66-F68 HydrophobicContact CB-CE2 3.69Å; L66-F68 HydrophobicContact CB-CZ 4.27Å; L66-F68 HydrophobicContact CD2-CE2 4.39Å; L66-F68 HydrophobicContact CD2-CZ 4.15Å; F68-L73 HydrophobicContact CD1-CD1 3.78Å; F68-L73 HydrophobicContact CD2-CD1 4.07Å; F68-L73 HydrophobicContact CE1-CD1 3.72Å; F68-L73 HydrophobicContact CE1-CD2 4.34Å; F68-L73 HydrophobicContact CE2-CD1 4.01Å; F68-L73 HydrophobicContact CG-CD1 3.95Å; F68-L73 HydrophobicContact CZ-CD1 3.84Å; F68-L134 HydrophobicContact CE2-CD2 3.59Å; F68-L134 HydrophobicContact CZ-CB 4.21Å; F68-L134 HydrophobicContact CZ-CD2 3.65Å; F68-L137 HydrophobicContact CD1-CB 3.98Å; F68-L137 HydrophobicContact CD2-CD1 4.19Å; F68-L137 HydrophobicContact CE1-CB 4.17Å; F68-L137 HydrophobicContact CE2-CD1 4.39Å; F68-L137 HydrophobicContact CG-CB 4.26Å; F68-L137 HydrophobicContact CG-CD1 4.46Å; F68-L138 HydrophobicContact CE1-CB 4.11Å; F68-L288 HydrophobicContact CB-CD2 3.85Å
69S91.4Very high94.7Very high12 Ų1253.4 Ų53.48%0.08426%0.264CS..EExtended strand (participates in β ladder)trans-157.3166.1173.6690000110.2Q71 G72S69-Q71 PolarHBondContact O-N 3.24Å; S69-Q71 VanDerWaalsContact O-N 3.16Å; S69-Q71 PolarHBondContact OG-N 3.49Å; S69-G72 PolarHBondContact N-O 3.08Å; S69-G72 PolarHBondContact O-N 2.6Å; S69-G72 VanDerWaalsContact O-O 3.08Å; S69-G72 PolarHBondContact OG-N 3.33Å; S69-G72 PolarHBondContact OG-O 3.46Å
70L89.8Confident94.7Very high56 Ų5648.5 Ų48.529%0.29324%0.236SC..THydrogen-bonded Turntrans-67.2-10.9172.3-61.4-177.2000113.6L89 L144 L148L70-L89 VanDerWaalsContact O-CD1 3.29Å; L70-L89 WeakPolarHBondContact O-CD1 3.47Å; L70-L144 HydrophobicContact CD2-CB 3.66Å; L70-L144 HydrophobicContact CD2-CD1 4Å; L70-L148 HydrophobicContact CD1-CD1 4Å
71Q90.5Very high94.5Very high126 Ų12649.7 Ų49.759%0.58925%0.248SC*.THydrogen-bonded Turntrans-81.6-23.6170.9-65.3-179.72.300112S69 A88 L89S69-Q71 PolarHBondContact O-N 3.24Å; S69-Q71 VanDerWaalsContact O-N 3.16Å; S69-Q71 PolarHBondContact OG-N 3.49Å; Q71-A88 WeakPolarHBondContact O-CA 3.29Å; Q71-L89 PolarHBondContact O-N 2.99Å
72G93.3Very high94.6Very high5 Ų549 Ų495%0.05225%0.254CS..EExtended strand (participates in β ladder)trans145.9-170.4-17200000114.2S69 H87S69-G72 PolarHBondContact N-O 3.08Å; S69-G72 PolarHBondContact O-N 2.6Å; S69-G72 VanDerWaalsContact O-O 3.08Å; S69-G72 PolarHBondContact OG-N 3.33Å; S69-G72 PolarHBondContact OG-O 3.46Å; G72-H87 CarbonylContact C-O 3.58Å; G72-H87 WeakPolarHBondContact CA-O 3.45Å
73L95.8Very high94.5Very high1 Ų147.3 Ų47.31%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-112124.7179.8-178.758.4000110L66 F68 I75 A86 H87 I92 F106L66-L73 HydrophobicContact CB-CD1 4.13Å; L66-L73 HydrophobicContact CD2-CD1 4.35Å; L66-L73 HydrophobicContact CD2-CD2 4.38Å; F68-L73 HydrophobicContact CD1-CD1 3.78Å; F68-L73 HydrophobicContact CD2-CD1 4.07Å; F68-L73 HydrophobicContact CE1-CD1 3.72Å; F68-L73 HydrophobicContact CE1-CD2 4.34Å; F68-L73 HydrophobicContact CE2-CD1 4.01Å; F68-L73 HydrophobicContact CG-CD1 3.95Å; F68-L73 HydrophobicContact CZ-CD1 3.84Å; L73-I75 HydrophobicContact CD2-CD1 4.35Å; L73-I75 HydrophobicContact CG-CD1 4Å; L73-A86 WeakPolarHBondContact O-CA 3.35Å; L73-H87 PolarHBondContact N-O 3.21Å; L73-H87 PolarHBondContact O-N 3.23Å; L73-I92 HydrophobicContact CB-CD1 4.3Å; L73-F106 HydrophobicContact CD2-CD1 3.98Å; L73-F106 HydrophobicContact CD2-CE1 3.41Å; L73-F106 VanDerWaalsContact CD2-CE1 3.41Å; L73-F106 HydrophobicContact CD2-CZ 3.85Å
74K96.1Very high94.4Very high84 Ų8447.1 Ų47.137%0.36524%0.244SC..EExtended strand (participates in β ladder)trans-111.7135.5173.5-63.8-179.5-178176.70109.8K67 Y76 L83 A86K67-K74 HydrophobicContact CB-CB 4.41Å; K67-K74 PolarHBondContact N-O 2.95Å; K67-K74 PolarHBondContact O-N 3.24Å; K74-Y76 HydrophobicContact CB-CD2 4.35Å; K74-Y76 HydrophobicContact CB-CE2 3.66Å; K74-Y76 HydrophobicContact CD-CE2 4.36Å; K74-L83 HydrophobicContact CB-CD1 4.04Å; K74-L83 HydrophobicContact CG-CD1 4.44Å; K74-A86 HydrophobicContact CG-CB 4.1Å
75I96.9Very high94.1Very high0 Ų048.9 Ų48.90%025%0.253CS..EExtended strand (participates in β ladder)trans-115.5120.1179.6-58.191.2000107.9V64 I65 L66 L73 L84 M85 F106 F123V64-I75 HydrophobicContact CB-CG2 3.84Å; V64-I75 HydrophobicContact CG1-CG2 4Å; V64-I75 HydrophobicContact CG2-CG2 4.26Å; I65-I75 CarbonylContact O-C 3.57Å; I65-I75 WeakPolarHBondContact O-CA 3.35Å; L66-I75 HydrophobicContact CG-CG1 4.44Å; L73-I75 HydrophobicContact CD2-CD1 4.35Å; L73-I75 HydrophobicContact CG-CD1 4Å; I75-L84 WeakPolarHBondContact O-CB 3.48Å; I75-L84 PolarHBondContact O-N 3.2Å; I75-M85 HydrophobicContact CB-CB 4.24Å; I75-M85 HydrophobicContact CB-CE 4.3Å; I75-M85 HydrophobicContact CD1-CB 3.95Å; I75-M85 HydrophobicContact CD1-CE 4.38Å; I75-M85 HydrophobicContact CG1-CE 4.34Å; I75-M85 HydrophobicContact CG2-CE 4.24Å; I75-M85 PolarHBondContact N-O 2.79Å; I75-M85 PolarHBondContact O-N 3.23Å; I75-M85 VanDerWaalsContact O-N 3.15Å; I75-F106 HydrophobicContact CD1-CZ 4.34Å; I75-F123 HydrophobicContact CG1-CE1 4.26Å; I75-F123 HydrophobicContact CG1-CZ 4.07Å; I75-F123 HydrophobicContact CG2-CE1 4.23Å
76Y97.1Very high94Very high44 Ų4449.7 Ų49.717%0.17326%0.262CS..EExtended strand (participates in β ladder)trans-108.1163.2176.6-65.8-99.2000110.4V64 I65 K67 K74 V82 L83V64-Y76 VanDerWaalsContact CA-O 3.28Å; V64-Y76 WeakPolarHBondContact CA-O 3.35Å; V64-Y76 WeakPolarHBondContact CB-O 3.26Å; I65-Y76 PolarHBondContact N-O 3.34Å; I65-Y76 PolarHBondContact O-N 3.24Å; K67-Y76 HydrophobicContact CB-CE2 4.47Å; K67-Y76 HydrophobicContact CD-CD2 4.1Å; K67-Y76 HydrophobicContact CD-CE2 3.71Å; K67-Y76 HydrophobicContact CG-CD2 4.25Å; K67-Y76 HydrophobicContact CG-CE2 4.17Å; K74-Y76 HydrophobicContact CB-CD2 4.35Å; K74-Y76 HydrophobicContact CB-CE2 3.66Å; K74-Y76 HydrophobicContact CD-CE2 4.36Å; Y76-V82 CarbonylContact C-O 3.59Å; Y76-V82 WeakPolarHBondContact CA-O 3.29Å; Y76-L83 HydrophobicContact CD1-CB 4.22Å; Y76-L83 HydrophobicContact CD1-CD1 4.33Å; Y76-L83 HydrophobicContact CD2-CD1 4.37Å; Y76-L83 HydrophobicContact CE1-CB 3.99Å; Y76-L83 HydrophobicContact CE1-CD1 3.96Å; Y76-L83 HydrophobicContact CE2-CD1 4Å
77S97.1Very high93.8Very high2 Ų249.9 Ų49.91%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-59163.1168.176.10000111.3E79 G80 V82S77-E79 WeakPolarHBondContact CB-OE2 3.22Å; S77-E79 PolarHBondContact O-N 3.01Å; S77-E79 VanDerWaalsContact O-N 3.11Å; S77-E79 PolarHBondContact OG-OE2 3.49Å; S77-G80 WeakPolarHBondContact O-CA 3.48Å; S77-G80 PolarHBondContact O-N 3.36Å; S77-V82 PolarHBondContact N-O 3.24Å
78G92.4Very high93.7Very high29 Ų2948 Ų4830%0.29926%0.259SS..THydrogen-bonded Turntrans-58.1-23.9179.600000113.6A63A63-G78 WeakPolarHBondContact O-CA 3.33Å; A63-G78 PolarHBondContact O-N 3.41Å
79E92.8Very high93.7Very high139 Ų13948.3 Ų48.365%0.6526%0.261SS*.THydrogen-bonded Turntrans-83.9-15.6175.6-49.974.2-159.300112.6S77 E81S77-E79 WeakPolarHBondContact CB-OE2 3.22Å; S77-E79 PolarHBondContact O-N 3.01Å; S77-E79 VanDerWaalsContact O-N 3.11Å; S77-E79 PolarHBondContact OG-OE2 3.49Å; E79-E81 VanDerWaalsContact C-N 3.26Å; E79-E81 HydrophobicContact CB-CG 4.17Å; E79-E81 PolarHBondContact O-N 3.1Å
80G89.6Confident93.7Very high23 Ų2353 Ų5324%0.23728%0.277CS..SBendtrans80.8-2.9-179.200000115.5S77S77-G80 WeakPolarHBondContact O-CA 3.48Å; S77-G80 PolarHBondContact O-N 3.36Å
81E89.6Confident93.9Very high162 Ų16252.5 Ų52.576%0.75727%0.271SS*.  trans-78.6-38.2-174.3-62.6-58132.200112.9E79E79-E81 VanDerWaalsContact C-N 3.26Å; E79-E81 HydrophobicContact CB-CG 4.17Å; E79-E81 PolarHBondContact O-N 3.1Å
82V95.3Very high94.1Very high80 Ų8046.5 Ų46.549%0.48524%0.243SC..SBendtrans-109.6124.2-172.7-176.30000110.6Y76 S77 L84Y76-V82 CarbonylContact C-O 3.59Å; Y76-V82 WeakPolarHBondContact CA-O 3.29Å; S77-V82 PolarHBondContact N-O 3.24Å; V82-L84 HydrophobicContact CG1-CD2 4.12Å; V82-L84 PolarHBondContact O-N 3.14Å
83L95.6Very high94.2Very high87 Ų8748 Ų4846%0.45525%0.25SC..EExtended strand (participates in β ladder)trans-73116.1168.4-179.869.5000109K74 Y76 M85 A86K74-L83 HydrophobicContact CB-CD1 4.04Å; K74-L83 HydrophobicContact CG-CD1 4.44Å; Y76-L83 HydrophobicContact CD1-CB 4.22Å; Y76-L83 HydrophobicContact CD1-CD1 4.33Å; Y76-L83 HydrophobicContact CD2-CD1 4.37Å; Y76-L83 HydrophobicContact CE1-CB 3.99Å; Y76-L83 HydrophobicContact CE1-CD1 3.96Å; Y76-L83 HydrophobicContact CE2-CD1 4Å; L83-M85 WeakPolarHBondContact CD1-O 3.45Å; L83-A86 HydrophobicContact CD1-CB 4.46Å; L83-A86 HydrophobicContact CD2-CB 4.45Å
84L93.8Very high94.2Very high54 Ų5448.1 Ų48.128%0.28325%0.25SS..EExtended strand (participates in β ladder)trans-89.3-47.6179.4-58179.1000111.3V64 I75 V82V64-L84 HydrophobicContact CG1-CD1 3.77Å; I75-L84 WeakPolarHBondContact O-CB 3.48Å; I75-L84 PolarHBondContact O-N 3.2Å; V82-L84 HydrophobicContact CG1-CD2 4.12Å; V82-L84 PolarHBondContact O-N 3.14Å
85M93.7Very high94.3Very high38 Ų3844.1 Ų44.119%0.18723%0.233CC..EExtended strand (participates in β ladder)trans-147.9153-176.7-61.7-179-69.400110.7Y30 I75 L83 F123Y30-M85 HydrophobicContact CD2-CE 4.11Å; Y30-M85 HydrophobicContact CE1-CE 4.4Å; Y30-M85 HydrophobicContact CE2-CE 3.66Å; I75-M85 HydrophobicContact CB-CB 4.24Å; I75-M85 HydrophobicContact CB-CE 4.3Å; I75-M85 HydrophobicContact CD1-CB 3.95Å; I75-M85 HydrophobicContact CD1-CE 4.38Å; I75-M85 HydrophobicContact CG1-CE 4.34Å; I75-M85 HydrophobicContact CG2-CE 4.24Å; I75-M85 PolarHBondContact N-O 2.79Å; I75-M85 PolarHBondContact O-N 3.23Å; I75-M85 VanDerWaalsContact O-N 3.15Å; L83-M85 WeakPolarHBondContact CD1-O 3.45Å; M85-F123 HydrophobicContact CE-CZ 4.31Å
86A93.9Very high94.2Very high35 Ų3544.4 Ų44.429%0.28924%0.235SC..EExtended strand (participates in β ladder)trans-148121.4174.300000110.8L73 K74 L83L73-A86 WeakPolarHBondContact O-CA 3.35Å; K74-A86 HydrophobicContact CG-CB 4.1Å; L83-A86 HydrophobicContact CD1-CB 4.46Å; L83-A86 HydrophobicContact CD2-CB 4.45Å
87H94.5Very high94.1Very high4 Ų443.1 Ų43.12%0.01923%0.229CC..EExtended strand (participates in β ladder)trans-117.5122.8178-59.3-88.7000109.3G72 L73 I92 F106 R109 N110 H121G72-H87 CarbonylContact C-O 3.58Å; G72-H87 WeakPolarHBondContact CA-O 3.45Å; L73-H87 PolarHBondContact N-O 3.21Å; L73-H87 PolarHBondContact O-N 3.23Å; H87-I92 HydrophobicContact CB-CD1 4Å; H87-I92 HydrophobicContact CB-CG1 3.84Å; H87-F106 AromaticContact CD2-CE2 3.83Å; H87-F106 AromaticContact CD2-CZ 3.86Å; H87-R109 PolarHBondContact ND1-O 2.88Å; H87-N110 PolarHBondContact CE1-OD1 2.8Å; H87-H121 AromaticContact CE1-CE1 3.79Å; H87-H121 AromaticContact CE1-NE2 3.22Å; H87-H121 PolarHBondContact CE1-NE2 2.87Å; H87-H121 AromaticContact NE2-CD2 3.99Å; H87-H121 AromaticContact NE2-CE1 3.77Å; H87-H121 AromaticContact NE2-NE2 3.45Å; H87-H121 PolarHBondContact NE2-NE2 3.24Å
88A93.9Very high93.9Very high25 Ų2544.5 Ų44.521%0.20724%0.239CC..EExtended strand (participates in β ladder)trans-66.7146.8166.800000109.2Q71 R90 R91Q71-A88 WeakPolarHBondContact O-CA 3.29Å; A88-R90 VanDerWaalsContact C-N 3.27Å; A88-R90 HydrophobicContact CB-CG 4.16Å; A88-R90 PolarHBondContact O-N 3.4Å; A88-R91 HydrophobicContact CB-CG 4.46Å; A88-R91 WeakPolarHBondContact O-CB 3.48Å; A88-R91 PolarHBondContact O-N 2.91Å
89L94Very high93.8Very high8 Ų845.4 Ų45.44%0.04224%0.239CC..G310 helixtrans-53.8-44.5-177.2-71.3-177.8000112.3L70 Q71 R91 I92 L138 F142 A145 N393L70-L89 VanDerWaalsContact O-CD1 3.29Å; L70-L89 WeakPolarHBondContact O-CD1 3.47Å; Q71-L89 PolarHBondContact O-N 2.99Å; L89-R91 PolarHBondContact O-N 3Å; L89-I92 HydrophobicContact CD2-CD1 4.43Å; L89-I92 PolarHBondContact O-N 2.98Å; L89-L138 HydrophobicContact CD2-CD1 4.03Å; L89-F142 HydrophobicContact CD2-CD1 4.24Å; L89-F142 HydrophobicContact CD2-CE1 4.15Å; L89-A145 HydrophobicContact CD1-CB 3.95Å; L89-N393 PolarHBondContact O-ND2 2.97Å
90R92.8Very high93.7Very high111 Ų11143 Ų4342%0.41924%0.244SC..G310 helixtrans-58-16176.661.8166.5166.8-127.9-0.1115.7A88 T395 Y396 E397A88-R90 VanDerWaalsContact C-N 3.27Å; A88-R90 HydrophobicContact CB-CG 4.16Å; A88-R90 PolarHBondContact O-N 3.4Å; R90-T395 WeakPolarHBondContact CA-O 3.2Å; R90-Y396 WeakPolarHBondContact O-CD2 3.47Å; R90-E397 HydrophobicContact CB-CB 4.38Å; R90-E397 HydrophobicContact CB-CG 4.14Å; R90-E397 VanDerWaalsContact CD-CD 3.48Å; R90-E397 WeakPolarHBondContact CD-OE1 3.13Å; R90-E397 WeakPolarHBondContact CD-OE2 3.15Å; R90-E397 PolarHBondContact O-N 3.24Å
91R93.1Very high93.8Very high45 Ų4544.7 Ų44.717%0.1725%0.247CC..G310 helixtrans-92.2-13.9175.9-65.4-172.1-178.4144-1.9113A88 L89 A108 R109 D400A88-R91 HydrophobicContact CB-CG 4.46Å; A88-R91 WeakPolarHBondContact O-CB 3.48Å; A88-R91 PolarHBondContact O-N 2.91Å; L89-R91 PolarHBondContact O-N 3Å; R91-A108 CarbonylContact O-C 3.52Å; R91-A108 VanDerWaalsContact O-CA 3.23Å; R91-A108 WeakPolarHBondContact O-CA 3.39Å; R91-A108 WeakPolarHBondContact O-CB 3.21Å; R91-R109 HydrophobicContact CB-CB 4.45Å; R91-R109 PolarHBondContact O-N 3.38Å; R91-D400 IonicContact CZ-OD1 3.04Å; R91-D400 IonicContact CZ-OD2 3.76Å; R91-D400 IonicContact NE-OD1 3.07Å; R91-D400 PolarHBondContact NE-OD1 3.37Å; R91-D400 IonicContact NE-OD2 3.56Å; R91-D400 PolarHBondContact NE-OD2 3.09Å; R91-D400 IonicContact NH2-OD1 3.11Å; R91-D400 IonicContact NH2-OD2 2.92Å; R91-D400 PolarHBondContact NH2-OD2 3.39Å
92I95.4Very high94.1Very high0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans-91118.4-179.9-52.8175.2000107.1L73 H87 L89 F106 V107 A108 L138 F142 N393L73-I92 HydrophobicContact CB-CD1 4.3Å; H87-I92 HydrophobicContact CB-CD1 4Å; H87-I92 HydrophobicContact CB-CG1 3.84Å; L89-I92 HydrophobicContact CD2-CD1 4.43Å; L89-I92 PolarHBondContact O-N 2.98Å; I92-F106 HydrophobicContact CD1-CD2 4.42Å; I92-F106 HydrophobicContact CG1-CD2 4.32Å; I92-F106 HydrophobicContact CG2-CB 4.05Å; I92-F106 HydrophobicContact CG2-CD2 3.87Å; I92-F106 HydrophobicContact CG2-CG 4.3Å; I92-V107 CarbonylContact C-O 3.57Å; I92-A108 HydrophobicContact CB-CB 4.39Å; I92-A108 HydrophobicContact CG1-CB 4.04Å; I92-L138 HydrophobicContact CD1-CD1 3.95Å; I92-L138 HydrophobicContact CG2-CD2 4.37Å; I92-F142 HydrophobicContact CB-CE1 4.09Å; I92-F142 HydrophobicContact CB-CZ 4.15Å; I92-F142 HydrophobicContact CG2-CE1 4.07Å; I92-F142 HydrophobicContact CG2-CZ 3.63Å; I92-N393 WeakPolarHBondContact O-CB 3.18Å; I92-N393 PolarHBondContact O-ND2 3.38Å
93L94.6Very high94.2Very high36 Ų3634.2 Ų34.219%0.18820%0.195CC..EExtended strand (participates in β ladder)trans-86.8-46.7-176.5173.561.8000111.5V107 L118 L392 N393 Y396L93-V107 PolarHBondContact N-O 2.82Å; L93-L118 HydrophobicContact CD2-CD1 3.62Å; L93-L392 HydrophobicContact CD1-CD2 4.27Å; L93-L392 HydrophobicContact CG-CD2 4.33Å; L93-L392 WeakPolarHBondContact O-CA 3.49Å; L93-N393 PolarHBondContact O-N 3.22Å; L93-Y396 VanDerWaalsContact CA-CD2 3.48Å; L93-Y396 HydrophobicContact CB-CD2 3.7Å; L93-Y396 HydrophobicContact CB-CE2 3.72Å; L93-Y396 HydrophobicContact CB-CG 4.15Å; L93-Y396 HydrophobicContact CD1-CD1 3.59Å; L93-Y396 HydrophobicContact CD1-CD2 4.13Å; L93-Y396 HydrophobicContact CD1-CE1 3.92Å; L93-Y396 HydrophobicContact CD1-CE2 4.41Å; L93-Y396 HydrophobicContact CD1-CG 3.68Å
94Y96.2Very high94.3Very high5 Ų530.1 Ų30.12%0.0217%0.174CC..EExtended strand (participates in β ladder)trans-144146.1-166.1178.1-119.5000110.3V45 T96 F106 V107 V318 G390 R391 L392V45-Y94 HydrophobicContact CG1-CE1 4.31Å; V45-Y94 WeakPolarHBondContact CG1-OH 3.36Å; V45-Y94 HydrophobicContact CG2-CD1 4.41Å; V45-Y94 HydrophobicContact CG2-CE1 3.98Å; V45-Y94 HydrophobicContact CG2-CE2 4.14Å; Y94-T96 HydrophobicContact CE1-CG2 3.82Å; Y94-F106 CarbonylContact O-C 3.57Å; Y94-F106 WeakPolarHBondContact O-CA 3.27Å; Y94-F106 WeakPolarHBondContact O-CB 3.39Å; Y94-V107 HydrophobicContact CD1-CG2 4.01Å; Y94-V107 PolarHBondContact N-O 3.15Å; Y94-V107 PolarHBondContact O-N 2.92Å; Y94-V318 HydrophobicContact CD2-CG1 4.31Å; Y94-V318 HydrophobicContact CE2-CG1 3.89Å; Y94-V318 HydrophobicContact CE2-CG2 4.34Å; Y94-G390 WeakPolarHBondContact OH-CA 3.44Å; Y94-R391 VanDerWaalsContact CD2-O 3.32Å; Y94-R391 WeakPolarHBondContact CD2-O 3.46Å; Y94-L392 HydrophobicContact CD2-CD2 3.84Å; Y94-L392 HydrophobicContact CD2-CG 4.45Å; Y94-L392 HydrophobicContact CG-CD2 4.33Å
95S97.4Very high94.5Very high0 Ų027.5 Ų27.50%016%0.16CC..EExtended strand (participates in β ladder)trans-131.4141170.2-178.40000110.2F104 A105 H135 G390 R391S95-F104 WeakPolarHBondContact OG-CE2 3.38Å; S95-A105 WeakPolarHBondContact CA-O 3.35Å; S95-A105 PolarHBondContact OG-O 2.82Å; S95-H135 PolarHBondContact OG-ND1 2.8Å; S95-H135 VanDerWaalsContact OG-ND1 3.09Å; S95-G390 CarbonylContact O-C 3.56Å; S95-G390 WeakPolarHBondContact O-CA 3.03Å; S95-R391 PolarHBondContact N-O 2.86Å; S95-R391 PolarHBondContact O-N 3.02Å
96T96.1Very high94.7Very high6 Ų625.7 Ų25.74%0.03715%0.151CC..EExtended strand (participates in β ladder)trans-147.4170.5176.8-169.30000110.7V48 L52 Y94 A105V48-T96 HydrophobicContact CG1-CG2 3.98Å; L52-T96 HydrophobicContact CD2-CG2 4.18Å; Y94-T96 HydrophobicContact CE1-CG2 3.82Å; T96-A105 HydrophobicContact CG2-CB 4.14Å; T96-A105 PolarHBondContact N-O 3.24Å; T96-A105 PolarHBondContact O-N 2.75Å
97W95.1Very high94.8Very high16 Ų1624.3 Ų24.36%0.06114%0.139CC..EExtended strand (participates in β ladder)trans-156.1153178.272.1-56000110.9P99 Q103 V131 Q132 H135 M389W97-P99 HydrophobicContact CD2-CG 4.18Å; W97-P99 HydrophobicContact CE3-CB 4.32Å; W97-P99 HydrophobicContact CE3-CG 3.91Å; W97-P99 HydrophobicContact CH2-CB 4.08Å; W97-P99 HydrophobicContact CH2-CG 3.62Å; W97-P99 HydrophobicContact CZ2-CG 3.91Å; W97-P99 HydrophobicContact CZ3-CB 3.8Å; W97-P99 HydrophobicContact CZ3-CG 3.61Å; W97-Q103 CarbonylContact C-O 3.55Å; W97-Q103 VanDerWaalsContact CA-O 3.24Å; W97-Q103 WeakPolarHBondContact CA-O 3.44Å; W97-Q103 VanDerWaalsContact CB-O 3.29Å; W97-Q103 WeakPolarHBondContact CB-O 3.44Å; W97-V131 HydrophobicContact CE3-CB 4.41Å; W97-V131 HydrophobicContact CE3-CG2 3.83Å; W97-V131 HydrophobicContact CZ3-CG2 4.24Å; W97-Q132 HydrophobicContact CE3-CB 4Å; W97-Q132 HydrophobicContact CH2-CB 3.38Å; W97-Q132 VanDerWaalsContact CH2-CD 3.45Å; W97-Q132 HydrophobicContact CH2-CG 3.3Å; W97-Q132 HydrophobicContact CZ2-CB 4.15Å; W97-Q132 HydrophobicContact CZ2-CG 3.7Å; W97-Q132 VanDerWaalsContact CZ3-CA 3.41Å; W97-Q132 HydrophobicContact CZ3-CB 3.29Å; W97-Q132 HydrophobicContact CZ3-CG 3.81Å; W97-H135 HydrophobicContact CB-CB 4.07Å; W97-H135 AromaticContact CD1-CD2 3.53Å; W97-H135 AromaticContact CD1-CG 3.59Å; W97-H135 AromaticContact CD1-NE2 3.96Å; W97-H135 HydrophobicContact CG-CB 3.97Å; W97-H135 AromaticContact CG-CG 3.97Å; W97-H135 AromaticContact NE1-CD2 3.66Å; W97-M389 HydrophobicContact CZ2-CE 3.92Å
98C92.9Very high94.8Very high32 Ų3224.1 Ų24.122%0.21614%0.138CC..EExtended strand (participates in β ladder)trans-119.6107.9172.4-178.50000108.5A100 D101 C102 Q103C98-A100 VanDerWaalsContact C-N 3.33Å; C98-A100 PolarHBondContact O-N 3.14Å; C98-D101 PolarHBondContact O-N 3.09Å; C98-D101 PolarHBondContact SG-OD2 2.82Å; C98-C102 PolarHBondContact O-N 3.44Å; C98-C102 VanDerWaalsContact O-N 3.14Å; C98-Q103 HydrophobicContact CB-CB 4.17Å; C98-Q103 PolarHBondContact N-O 3.24Å; C98-Q103 PolarHBondContact O-N 2.82Å
99P89.5Confident94.6Very high47 Ų4723.1 Ų23.131%0.30513%0.129SC..THydrogen-bonded Turntrans-62.6-39.2180-1827.2000112.5W97 D101 C102 P128W97-P99 HydrophobicContact CD2-CG 4.18Å; W97-P99 HydrophobicContact CE3-CB 4.32Å; W97-P99 HydrophobicContact CE3-CG 3.91Å; W97-P99 HydrophobicContact CH2-CB 4.08Å; W97-P99 HydrophobicContact CH2-CG 3.62Å; W97-P99 HydrophobicContact CZ2-CG 3.91Å; W97-P99 HydrophobicContact CZ3-CB 3.8Å; W97-P99 HydrophobicContact CZ3-CG 3.61Å; P99-D101 VanDerWaalsContact C-N 3.29Å; P99-D101 PolarHBondContact O-N 2.89Å; P99-C102 PolarHBondContact O-N 3.22Å; P99-P128 HydrophobicContact CB-CB 4.3Å; P99-P128 WeakPolarHBondContact O-CG 3.38Å
100A90.1Very high94.1Very high90 Ų9024.7 Ų24.774%0.74414%0.137SC*.THydrogen-bonded Turntrans-61.3-37.5-176.400000112.5C98C98-A100 VanDerWaalsContact C-N 3.33Å; C98-A100 PolarHBondContact O-N 3.14Å
101D93.2Very high93.2Very high57 Ų5721.9 Ų21.931%0.30513%0.134SC..THydrogen-bonded Turntrans-101.26.7-178.6-58.2-56000112.9K56 C98 P99 Q103K56-D101 HydrophobicContact CB-CB 4.31Å; C98-D101 PolarHBondContact O-N 3.09Å; C98-D101 PolarHBondContact SG-OD2 2.82Å; P99-D101 VanDerWaalsContact C-N 3.29Å; P99-D101 PolarHBondContact O-N 2.89Å; D101-Q103 HydrophobicContact CB-CG 3.9Å; D101-Q103 PolarHBondContact O-N 3.29Å
102C95.4Very high92.2Very high22 Ų2231 Ų3115%0.14917%0.168CC..THydrogen-bonded Turntrans50.739.2-174-58.30000112.6C98 P99 V124 G125 P128 V131C98-C102 PolarHBondContact O-N 3.44Å; C98-C102 VanDerWaalsContact O-N 3.14Å; P99-C102 PolarHBondContact O-N 3.22Å; C102-V124 HydrophobicContact CB-CG1 4.44Å; C102-V124 CarbonylContact O-C 3.45Å; C102-V124 VanDerWaalsContact O-CA 3.26Å; C102-V124 WeakPolarHBondContact O-CA 3.47Å; C102-G125 WeakPolarHBondContact CB-O 3.21Å; C102-G125 PolarHBondContact O-N 2.86Å; C102-P128 VanDerWaalsContact SG-CD 3.56Å; C102-P128 VanDerWaalsContact SG-N 3.44Å; C102-V131 HydrophobicContact CB-CG2 4.44Å; C102-V131 WeakPolarHBondContact O-CG1 3.14Å
103Q96.5Very high90.9Very high1 Ų132.9 Ų32.91%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-101.5141.8-177.6-72.9178-18.700111.7L52 W97 C98 D101 L122 F123 V124L52-Q103 VanDerWaalsContact CB-OE1 3.31Å; L52-Q103 PolarHBondContact O-NE2 2.92Å; L52-Q103 PolarHBondContact O-OE1 2.87Å; W97-Q103 CarbonylContact C-O 3.55Å; W97-Q103 VanDerWaalsContact CA-O 3.24Å; W97-Q103 WeakPolarHBondContact CA-O 3.44Å; W97-Q103 VanDerWaalsContact CB-O 3.29Å; W97-Q103 WeakPolarHBondContact CB-O 3.44Å; C98-Q103 HydrophobicContact CB-CB 4.17Å; C98-Q103 PolarHBondContact N-O 3.24Å; C98-Q103 PolarHBondContact O-N 2.82Å; D101-Q103 HydrophobicContact CB-CG 3.9Å; D101-Q103 PolarHBondContact O-N 3.29Å; Q103-L122 HydrophobicContact CB-CD1 4Å; Q103-L122 HydrophobicContact CG-CD1 4.08Å; Q103-F123 CarbonylContact C-O 3.57Å; Q103-F123 WeakPolarHBondContact CA-O 3.45Å; Q103-V124 HydrophobicContact CG-CG2 3.98Å
104F97.9Very high89.9Confident0 Ų034.7 Ų34.70%020%0.195CC..EExtended strand (participates in β ladder)trans-129.2134.1170.2164.2-113000108.7L66 S95 F106 F123 V131 L134 H135 L138L66-F104 HydrophobicContact CD2-CE1 4.24Å; S95-F104 WeakPolarHBondContact OG-CE2 3.38Å; F104-F106 HydrophobicContact CE1-CD1 4.01Å; F104-F106 HydrophobicContact CZ-CD1 4.06Å; F104-F123 HydrophobicContact CD1-CB 4.15Å; F104-F123 AromaticContact CD1-CD2 3.91Å; F104-F123 HydrophobicContact CD1-CD2 3.91Å; F104-F123 HydrophobicContact CD1-CG 4.26Å; F104-F123 HydrophobicContact CE1-CD2 4.22Å; F104-F123 PolarHBondContact N-O 3.28Å; F104-F123 PolarHBondContact O-N 3.18Å; F104-V131 HydrophobicContact CB-CB 3.86Å; F104-V131 HydrophobicContact CB-CG1 3.79Å; F104-L134 HydrophobicContact CB-CB 4.39Å; F104-L134 HydrophobicContact CB-CD1 4.2Å; F104-L134 HydrophobicContact CD1-CB 3.73Å; F104-L134 HydrophobicContact CD1-CD1 3.79Å; F104-L134 HydrophobicContact CD1-CG 4.37Å; F104-L134 HydrophobicContact CD2-CB 4.06Å; F104-L134 HydrophobicContact CE1-CB 3.94Å; F104-L134 HydrophobicContact CE2-CB 4.26Å; F104-L134 HydrophobicContact CG-CB 3.78Å; F104-L134 HydrophobicContact CG-CD1 4.16Å; F104-L134 HydrophobicContact CZ-CB 4.2Å; F104-H135 HydrophobicContact CD2-CB 3.84Å; F104-H135 VanDerWaalsContact CE2-CA 3.49Å; F104-H135 HydrophobicContact CE2-CB 3.98Å; F104-L138 HydrophobicContact CE2-CD2 4.33Å; F104-L138 HydrophobicContact CZ-CB 4.46Å; F104-L138 HydrophobicContact CZ-CD2 3.83Å
105A97.9Very high88.6Confident0 Ų036.4 Ų36.40%021%0.21CC..EExtended strand (participates in β ladder)trans-139.5154.2178.600000112.6L52 S95 T96 H121 L122L52-A105 HydrophobicContact CD1-CB 3.98Å; L52-A105 HydrophobicContact CD2-CB 4.34Å; S95-A105 WeakPolarHBondContact CA-O 3.35Å; S95-A105 PolarHBondContact OG-O 2.82Å; T96-A105 HydrophobicContact CG2-CB 4.14Å; T96-A105 PolarHBondContact N-O 3.24Å; T96-A105 PolarHBondContact O-N 2.75Å; A105-H121 VanDerWaalsContact CA-O 3.27Å; A105-H121 WeakPolarHBondContact CA-O 3.48Å; A105-L122 HydrophobicContact CB-CD1 4.17Å
106F97.6Very high87.3Confident0 Ų039.3 Ų39.30%023%0.23CC..EExtended strand (participates in β ladder)trans-143147.7167.468.4-93.5000110.8L73 I75 H87 I92 Y94 F104 A108 C120 H121 F123 L138L73-F106 HydrophobicContact CD2-CD1 3.98Å; L73-F106 HydrophobicContact CD2-CE1 3.41Å; L73-F106 VanDerWaalsContact CD2-CE1 3.41Å; L73-F106 HydrophobicContact CD2-CZ 3.85Å; I75-F106 HydrophobicContact CD1-CZ 4.34Å; H87-F106 AromaticContact CD2-CE2 3.83Å; H87-F106 AromaticContact CD2-CZ 3.86Å; I92-F106 HydrophobicContact CD1-CD2 4.42Å; I92-F106 HydrophobicContact CG1-CD2 4.32Å; I92-F106 HydrophobicContact CG2-CB 4.05Å; I92-F106 HydrophobicContact CG2-CD2 3.87Å; I92-F106 HydrophobicContact CG2-CG 4.3Å; Y94-F106 CarbonylContact O-C 3.57Å; Y94-F106 WeakPolarHBondContact O-CA 3.27Å; Y94-F106 WeakPolarHBondContact O-CB 3.39Å; F104-F106 HydrophobicContact CE1-CD1 4.01Å; F104-F106 HydrophobicContact CZ-CD1 4.06Å; F106-A108 HydrophobicContact CD2-CB 3.92Å; F106-A108 HydrophobicContact CE2-CB 3.86Å; F106-C120 WeakPolarHBondContact O-CA 3.35Å; F106-H121 HydrophobicContact CD1-CB 4.47Å; F106-H121 AromaticContact CD2-CD2 3.93Å; F106-H121 HydrophobicContact CE1-CB 4.03Å; F106-H121 HydrophobicContact CE2-CB 4.2Å; F106-H121 AromaticContact CE2-CD2 3.31Å; F106-H121 WeakPolarHBondContact CE2-CD2 3.37Å; F106-H121 AromaticContact CE2-CG 3.99Å; F106-H121 HydrophobicContact CZ-CB 3.87Å; F106-H121 AromaticContact CZ-CD2 3.72Å; F106-H121 AromaticContact CZ-CG 3.94Å; F106-H121 PolarHBondContact N-O 3.37Å; F106-H121 PolarHBondContact O-N 2.86Å; F106-F123 HydrophobicContact CD1-CE2 4.02Å; F106-F123 HydrophobicContact CE1-CD2 4.4Å; F106-F123 AromaticContact CE1-CE2 3.44Å; F106-F123 HydrophobicContact CE1-CE2 3.44Å; F106-F123 VanDerWaalsContact CE1-CE2 3.44Å; F106-F123 AromaticContact CE1-CZ 3.99Å; F106-F123 HydrophobicContact CE1-CZ 3.99Å; F106-F123 HydrophobicContact CZ-CE2 4.3Å; F106-L138 HydrophobicContact CB-CD2 3.77Å; F106-L138 HydrophobicContact CD1-CD2 4.36Å; F106-L138 HydrophobicContact CG-CD2 4.16Å
107V95.9Very high86.8Confident5 Ų544.6 Ų44.63%0.0325%0.253CS..EExtended strand (participates in β ladder)trans-101.3126.1177.2-175.50000108.6V36 V48 I92 L93 Y94 L118 F119 C120V36-V107 HydrophobicContact CB-CG1 4.46Å; V36-V107 HydrophobicContact CG2-CG1 4.25Å; V36-V107 HydrophobicContact CG2-CG2 4.45Å; V48-V107 HydrophobicContact CG2-CG2 3.86Å; I92-V107 CarbonylContact C-O 3.57Å; L93-V107 PolarHBondContact N-O 2.82Å; Y94-V107 HydrophobicContact CD1-CG2 4.01Å; Y94-V107 PolarHBondContact N-O 3.15Å; Y94-V107 PolarHBondContact O-N 2.92Å; V107-L118 HydrophobicContact CG1-CB 3.8Å; V107-L118 HydrophobicContact CG1-CD1 4.2Å; V107-L118 HydrophobicContact CG1-CD2 4.26Å; V107-L118 HydrophobicContact CG1-CG 4.32Å; V107-F119 CarbonylContact C-O 3.57Å; V107-F119 WeakPolarHBondContact CA-O 3.19Å; V107-C120 HydrophobicContact CG2-CB 4.06Å
108A94.7Very high86.6Confident0 Ų044.5 Ų44.50%025%0.254CS..EExtended strand (participates in β ladder)trans-144.3157.6-179.200000112.7R91 I92 F106 F119R91-A108 CarbonylContact O-C 3.52Å; R91-A108 VanDerWaalsContact O-CA 3.23Å; R91-A108 WeakPolarHBondContact O-CA 3.39Å; R91-A108 WeakPolarHBondContact O-CB 3.21Å; I92-A108 HydrophobicContact CB-CB 4.39Å; I92-A108 HydrophobicContact CG1-CB 4.04Å; F106-A108 HydrophobicContact CD2-CB 3.92Å; F106-A108 HydrophobicContact CE2-CB 3.86Å; A108-F119 PolarHBondContact N-O 2.8Å; A108-F119 PolarHBondContact O-N 3.42Å
109R90.8Very high86.6Confident5 Ų545.2 Ų45.22%0.01925%0.253CS..EExtended strand (participates in β ladder)trans-77.6136.5164.4-64.3-175.2-64.8103.4-1.5109.7H87 R91 A115 L118 Y396 E397 E398 D400H87-R109 PolarHBondContact ND1-O 2.88Å; R91-R109 HydrophobicContact CB-CB 4.45Å; R91-R109 PolarHBondContact O-N 3.38Å; R109-A115 WeakPolarHBondContact CD-O 3.1Å; R109-L118 HydrophobicContact CG-CD2 3.53Å; R109-Y396 VanDerWaalsContact CD-OH 3.24Å; R109-Y396 WeakPolarHBondContact CD-OH 3.26Å; R109-Y396 HydrophobicContact CG-CE2 4.34Å; R109-Y396 PolarHBondContact NE-OH 2.82Å; R109-E397 PolarHBondContact NE-O 2.92Å; R109-E397 PolarHBondContact NH2-O 3.17Å; R109-E398 WeakPolarHBondContact CD-O 3.5Å; R109-E398 PolarHBondContact NE-O 3.21Å; R109-D400 IonicContact CZ-OD1 3.08Å; R109-D400 IonicContact NH1-OD1 3.68Å; R109-D400 PolarHBondContact NH1-OD1 3.42Å; R109-D400 VanDerWaalsContact NH1-OD1 3.11Å; R109-D400 IonicContact NH2-OD1 3.7Å; R109-D400 PolarHBondContact NH2-OD1 3.34Å
110N84.1Confident86.9Confident40 Ų4043 Ų4321%0.21424%0.238CC..PPolyproline II helixtrans-75.4143.5170.2-82.2-16.6000110.6H87 R112 S113 F119H87-N110 PolarHBondContact CE1-OD1 2.8Å; N110-R112 PolarHBondContact O-N 2.89Å; N110-S113 VanDerWaalsContact CB-OG 3.29Å; N110-S113 WeakPolarHBondContact CB-OG 3.39Å; N110-S113 WeakPolarHBondContact O-CB 3.35Å; N110-S113 PolarHBondContact O-N 2.86Å; N110-S113 VanDerWaalsContact O-N 3.1Å; N110-F119 HydrophobicContact CB-CD2 4.11Å; N110-F119 HydrophobicContact CB-CE2 4.17Å; N110-F119 WeakPolarHBondContact ND2-CD2 3.38Å; N110-F119 VanDerWaalsContact ND2-CE2 3.31Å; N110-F119 WeakPolarHBondContact ND2-CE2 3.48Å
111P73.6Confident87.3Confident53 Ų5338.7 Ų38.734%0.34420%0.203SC..THydrogen-bonded Turntrans-55.3131.6173.8-17.326.9000110.5S113P111-S113 PolarHBondContact O-N 3.22Å
112R70.8Confident87.5Confident237 Ų23736 Ų3689%0.89419%0.189SC*.THydrogen-bonded Turntrans67.97.7179.8-49.6172-74.8-168.5-1.5115.3N110N110-R112 PolarHBondContact O-N 2.89Å
113S69.7Low87.6Confident38 Ų3835 Ų3527%0.26618%0.182SC..SBendtrans-81.4153.3167.9-66.30000110.8N110 P111N110-S113 VanDerWaalsContact CB-OG 3.29Å; N110-S113 WeakPolarHBondContact CB-OG 3.39Å; N110-S113 WeakPolarHBondContact O-CB 3.35Å; N110-S113 PolarHBondContact O-N 2.86Å; N110-S113 VanDerWaalsContact O-N 3.1Å; P111-S113 PolarHBondContact O-N 3.22Å
114P72.9Confident87.7Confident74 Ų7435.1 Ų35.148%0.48118%0.183SC..  trans-53.2150.3170.5-2231.8000111.6S116 K117P114-S116 PolarHBondContact O-N 2.78Å; P114-K117 HydrophobicContact CB-CG 4.47Å; P114-K117 HydrophobicContact CG-CD 4.32Å; P114-K117 HydrophobicContact CG-CG 4.46Å; P114-K117 PolarHBondContact O-N 2.83Å; P114-K117 VanDerWaalsContact O-N 3.07Å
115A68.2Low87.6Confident42 Ų4235.6 Ų35.635%0.34719%0.187SC..THydrogen-bonded Turntrans-54.5-37.8-17900000113R109 K117 E398 Q399R109-A115 WeakPolarHBondContact CD-O 3.1Å; A115-K117 VanDerWaalsContact C-N 3.27Å; A115-K117 PolarHBondContact O-N 2.93Å; A115-E398 WeakPolarHBondContact CB-O 3.41Å; A115-Q399 HydrophobicContact CB-CG 4.01Å
116S70.9Confident87.4Confident60 Ų6040.7 Ų40.742%0.4222%0.223SC..THydrogen-bonded Turntrans-77.90.1-178.756.60000115.1D38 P114D38-S116 WeakPolarHBondContact OD2-CB 3.47Å; P114-S116 PolarHBondContact O-N 2.78Å
117K84.4Confident87.2Confident117 Ų11745.8 Ų45.851%0.50925%0.247SC..  trans-104.6101.4179.2-70-163.7178.9-174.10111.2P114 A115 F119P114-K117 HydrophobicContact CB-CG 4.47Å; P114-K117 HydrophobicContact CG-CD 4.32Å; P114-K117 HydrophobicContact CG-CG 4.46Å; P114-K117 PolarHBondContact O-N 2.83Å; P114-K117 VanDerWaalsContact O-N 3.07Å; A115-K117 VanDerWaalsContact C-N 3.27Å; A115-K117 PolarHBondContact O-N 2.93Å; K117-F119 HydrophobicContact CB-CE2 4.25Å
118L91.3Very high87Confident15 Ų1548.5 Ų48.58%0.07927%0.265CS..EExtended strand (participates in β ladder)trans-96.9148.7172.7-66.8171000110.7P35 V36 L93 V107 R109P35-L118 WeakPolarHBondContact CA-O 3.31Å; V36-L118 HydrophobicContact CB-CB 4.08Å; V36-L118 PolarHBondContact N-O 2.74Å; L93-L118 HydrophobicContact CD2-CD1 3.62Å; V107-L118 HydrophobicContact CG1-CB 3.8Å; V107-L118 HydrophobicContact CG1-CD1 4.2Å; V107-L118 HydrophobicContact CG1-CD2 4.26Å; V107-L118 HydrophobicContact CG1-CG 4.32Å; R109-L118 HydrophobicContact CG-CD2 3.53Å
119F93.4Very high86.8Confident46 Ų4649.6 Ų49.620%0.20228%0.276CS..EExtended strand (participates in β ladder)trans-128.7133.4174.1-65.4-90.3000108.9F34 P35 V107 A108 N110 K117F34-F119 WeakPolarHBondContact O-CA 3.17Å; P35-F119 HydrophobicContact CB-CE1 4.41Å; V107-F119 CarbonylContact C-O 3.57Å; V107-F119 WeakPolarHBondContact CA-O 3.19Å; A108-F119 PolarHBondContact N-O 2.8Å; A108-F119 PolarHBondContact O-N 3.42Å; N110-F119 HydrophobicContact CB-CD2 4.11Å; N110-F119 HydrophobicContact CB-CE2 4.17Å; N110-F119 WeakPolarHBondContact ND2-CD2 3.38Å; N110-F119 VanDerWaalsContact ND2-CE2 3.31Å; N110-F119 WeakPolarHBondContact ND2-CE2 3.48Å; K117-F119 HydrophobicContact CB-CE2 4.25Å
120C96.1Very high86.9Confident0 Ų052 Ų520%029%0.287CS..EExtended strand (participates in β ladder)trans-92.2122.5169-175.60000108.9S33 F34 V36 V48 F106 V107S33-C120 WeakPolarHBondContact CA-O 3.18Å; F34-C120 HydrophobicContact CD1-CB 4.36Å; F34-C120 HydrophobicContact CD2-CB 3.91Å; F34-C120 HydrophobicContact CE1-CB 3.88Å; F34-C120 HydrophobicContact CE2-CB 3.38Å; F34-C120 HydrophobicContact CG-CB 4.38Å; F34-C120 HydrophobicContact CZ-CB 3.37Å; F34-C120 WeakPolarHBondContact CZ-SG 3.34Å; F34-C120 PolarHBondContact N-O 3.14Å; F34-C120 VanDerWaalsContact N-O 3.13Å; F34-C120 PolarHBondContact O-N 2.94Å; V36-C120 HydrophobicContact CG2-CB 3.75Å; V48-C120 HydrophobicContact CG2-CB 4.26Å; F106-C120 WeakPolarHBondContact O-CA 3.35Å; V107-C120 HydrophobicContact CG2-CB 4.06Å
121H97.4Very high87.4Confident1 Ų150.1 Ų50.11%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-101.1120.5178.3-56.3-79.9000109.3Y30 S33 H87 A105 F106 F123Y30-H121 HydrophobicContact CE2-CB 4.4Å; S33-H121 PolarHBondContact OG-CE1 3.44Å; S33-H121 PolarHBondContact OG-ND1 2.96Å; H87-H121 AromaticContact CE1-CE1 3.79Å; H87-H121 AromaticContact CE1-NE2 3.22Å; H87-H121 PolarHBondContact CE1-NE2 2.87Å; H87-H121 AromaticContact NE2-CD2 3.99Å; H87-H121 AromaticContact NE2-CE1 3.77Å; H87-H121 AromaticContact NE2-NE2 3.45Å; H87-H121 PolarHBondContact NE2-NE2 3.24Å; A105-H121 VanDerWaalsContact CA-O 3.27Å; A105-H121 WeakPolarHBondContact CA-O 3.48Å; F106-H121 HydrophobicContact CD1-CB 4.47Å; F106-H121 AromaticContact CD2-CD2 3.93Å; F106-H121 HydrophobicContact CE1-CB 4.03Å; F106-H121 HydrophobicContact CE2-CB 4.2Å; F106-H121 AromaticContact CE2-CD2 3.31Å; F106-H121 WeakPolarHBondContact CE2-CD2 3.37Å; F106-H121 AromaticContact CE2-CG 3.99Å; F106-H121 HydrophobicContact CZ-CB 3.87Å; F106-H121 AromaticContact CZ-CD2 3.72Å; F106-H121 AromaticContact CZ-CG 3.94Å; F106-H121 PolarHBondContact N-O 3.37Å; F106-H121 PolarHBondContact O-N 2.86Å; H121-F123 HydrophobicContact CB-CE2 3.75Å; H121-F123 HydrophobicContact CB-CZ 4.29Å
122L97.9Very high88.4Confident0 Ų049.3 Ų49.30%027%0.269CS..EExtended strand (participates in β ladder)trans-105.8131.4-175.2179.562.2000112Y30 V31 G32 L52 L55 Q103 A105Y30-L122 WeakPolarHBondContact CD2-O 3.45Å; V31-L122 HydrophobicContact CB-CB 4.3Å; V31-L122 HydrophobicContact CB-CD2 4.04Å; V31-L122 HydrophobicContact CB-CG 4.03Å; V31-L122 HydrophobicContact CG1-CD2 4.07Å; V31-L122 HydrophobicContact CG2-CD2 4.26Å; V31-L122 HydrophobicContact CG2-CG 4.11Å; V31-L122 PolarHBondContact N-O 3.1Å; G32-L122 PolarHBondContact O-N 2.98Å; L52-L122 HydrophobicContact CD1-CD1 4.09Å; L52-L122 HydrophobicContact CG-CD1 3.98Å; L55-L122 HydrophobicContact CB-CD2 3.71Å; L55-L122 HydrophobicContact CD1-CD2 3.8Å; L55-L122 HydrophobicContact CG-CD2 4.43Å; Q103-L122 HydrophobicContact CB-CD1 4Å; Q103-L122 HydrophobicContact CG-CD1 4.08Å; A105-L122 HydrophobicContact CB-CD1 4.17Å
123F98.1Very high89.5Confident0 Ų038.7 Ų38.70%023%0.229CC..EExtended strand (participates in β ladder)trans-126.8152.4176.9-55.4-97.1000110.2A28 Q29 Y30 V64 L66 I75 M85 Q103 F104 F106 H121A28-F123 HydrophobicContact CB-CB 4.26Å; Q29-F123 CarbonylContact O-C 3.5Å; Q29-F123 WeakPolarHBondContact O-CA 3.49Å; Y30-F123 AromaticContact CD2-CD1 3.96Å; Y30-F123 HydrophobicContact CD2-CD1 3.96Å; Y30-F123 AromaticContact CD2-CE1 3.53Å; Y30-F123 HydrophobicContact CD2-CE1 3.53Å; Y30-F123 HydrophobicContact CD2-CE2 4.33Å; Y30-F123 AromaticContact CD2-CZ 3.74Å; Y30-F123 HydrophobicContact CD2-CZ 3.74Å; Y30-F123 HydrophobicContact CE2-CE1 4.42Å; Y30-F123 HydrophobicContact CE2-CZ 4.2Å; Y30-F123 HydrophobicContact CG-CE1 4.21Å; V64-F123 HydrophobicContact CG2-CD1 3.94Å; V64-F123 HydrophobicContact CG2-CE1 4.02Å; L66-F123 HydrophobicContact CD1-CD1 4.23Å; L66-F123 HydrophobicContact CD1-CE1 4.44Å; L66-F123 HydrophobicContact CD2-CD1 4.23Å; L66-F123 HydrophobicContact CD2-CE1 4.18Å; L66-F123 HydrophobicContact CD2-CZ 4.44Å; L66-F123 HydrophobicContact CG-CE1 4.46Å; I75-F123 HydrophobicContact CG1-CE1 4.26Å; I75-F123 HydrophobicContact CG1-CZ 4.07Å; I75-F123 HydrophobicContact CG2-CE1 4.23Å; M85-F123 HydrophobicContact CE-CZ 4.31Å; Q103-F123 CarbonylContact C-O 3.57Å; Q103-F123 WeakPolarHBondContact CA-O 3.45Å; F104-F123 HydrophobicContact CD1-CB 4.15Å; F104-F123 AromaticContact CD1-CD2 3.91Å; F104-F123 HydrophobicContact CD1-CD2 3.91Å; F104-F123 HydrophobicContact CD1-CG 4.26Å; F104-F123 HydrophobicContact CE1-CD2 4.22Å; F104-F123 PolarHBondContact N-O 3.28Å; F104-F123 PolarHBondContact O-N 3.18Å; F106-F123 HydrophobicContact CD1-CE2 4.02Å; F106-F123 HydrophobicContact CE1-CD2 4.4Å; F106-F123 AromaticContact CE1-CE2 3.44Å; F106-F123 HydrophobicContact CE1-CE2 3.44Å; F106-F123 VanDerWaalsContact CE1-CE2 3.44Å; F106-F123 AromaticContact CE1-CZ 3.99Å; F106-F123 HydrophobicContact CE1-CZ 3.99Å; F106-F123 HydrophobicContact CZ-CE2 4.3Å; H121-F123 HydrophobicContact CB-CE2 3.75Å; H121-F123 HydrophobicContact CB-CZ 4.29Å
124V97.6Very high90.8Very high5 Ų537 Ų373%0.0322%0.217CC..EExtended strand (participates in β ladder)trans-127.1133.9175.91770000109.3Q29 V31 C102 Q103Q29-V124 PolarHBondContact N-O 3.18Å; Q29-V124 PolarHBondContact O-N 3.14Å; V31-V124 HydrophobicContact CG2-CB 4.35Å; V31-V124 HydrophobicContact CG2-CG2 3.51Å; C102-V124 HydrophobicContact CB-CG1 4.44Å; C102-V124 CarbonylContact O-C 3.45Å; C102-V124 VanDerWaalsContact O-CA 3.26Å; C102-V124 WeakPolarHBondContact O-CA 3.47Å; Q103-V124 HydrophobicContact CG-CG2 3.98Å
125G95.5Very high91.9Very high9 Ų933.7 Ų33.79%0.09320%0.195CC..  trans-96.1173.2171.400000111.8C102 Q127C102-G125 WeakPolarHBondContact CB-O 3.21Å; C102-G125 PolarHBondContact O-N 2.86Å; G125-Q127 VanDerWaalsContact C-N 3.34Å
126S93.6Very high93.1Very high108 Ų10832 Ų3276%0.75518%0.18SC*.SBendtrans-80.7-20.9177.3-40.30000112.3E130S126-E130 VanDerWaalsContact CB-OE2 3.32Å; S126-E130 WeakPolarHBondContact CB-OE2 3.13Å; S126-E130 PolarHBondContact N-OE2 2.91Å; S126-E130 PolarHBondContact OG-OE2 2.98Å; S126-E130 VanDerWaalsContact OG-OE2 3.11Å
127Q94Very high94.3Very high106 Ų10629.1 Ų29.150%0.49516%0.16SC..SBendtrans-152.3158.4-176.557.2-173.6-23.800110.5G125 G129 E130G125-Q127 VanDerWaalsContact C-N 3.34Å; Q127-G129 VanDerWaalsContact C-N 3.32Å; Q127-G129 PolarHBondContact O-N 3.44Å; Q127-E130 HydrophobicContact CG-CB 4.09Å; Q127-E130 HydrophobicContact CG-CG 3.61Å; Q127-E130 PolarHBondContact NE2-OE1 3.18Å; Q127-E130 WeakPolarHBondContact O-CB 3.32Å; Q127-E130 PolarHBondContact O-N 3.12Å; Q127-E130 VanDerWaalsContact O-N 3.09Å
128P91.6Very high94.8Very high63 Ų6323.5 Ų23.541%0.40914%0.136SC..Hα-helixtrans-58.7-39.5-176.3-25.634.6000113.5P99 C102 E130 V131 Q132P99-P128 HydrophobicContact CB-CB 4.3Å; P99-P128 WeakPolarHBondContact O-CG 3.38Å; C102-P128 VanDerWaalsContact SG-CD 3.56Å; C102-P128 VanDerWaalsContact SG-N 3.44Å; P128-E130 PolarHBondContact O-N 2.67Å; P128-V131 WeakPolarHBondContact O-CG2 3.42Å; P128-V131 PolarHBondContact O-N 3.12Å; P128-Q132 PolarHBondContact O-N 2.9Å
129G91.4Very high95Very high22 Ų2223 Ų2323%0.22713%0.133CC..Hα-helixtrans-62.6-29.2178.800000113.8Q127 Q132 I133Q127-G129 VanDerWaalsContact C-N 3.32Å; Q127-G129 PolarHBondContact O-N 3.44Å; G129-Q132 WeakPolarHBondContact O-CB 3.09Å; G129-Q132 PolarHBondContact O-N 2.92Å; G129-I133 PolarHBondContact O-N 2.92Å; G129-I133 VanDerWaalsContact O-N 3.08Å
130E93.2Very high95.1Very high57 Ų5721.8 Ų21.827%0.26613%0.128SC..Hα-helixtrans-68.4-39.5176.9-79.1173.4-164.600112S126 Q127 P128 I133 L134S126-E130 VanDerWaalsContact CB-OE2 3.32Å; S126-E130 WeakPolarHBondContact CB-OE2 3.13Å; S126-E130 PolarHBondContact N-OE2 2.91Å; S126-E130 PolarHBondContact OG-OE2 2.98Å; S126-E130 VanDerWaalsContact OG-OE2 3.11Å; Q127-E130 HydrophobicContact CG-CB 4.09Å; Q127-E130 HydrophobicContact CG-CG 3.61Å; Q127-E130 PolarHBondContact NE2-OE1 3.18Å; Q127-E130 WeakPolarHBondContact O-CB 3.32Å; Q127-E130 PolarHBondContact O-N 3.12Å; Q127-E130 VanDerWaalsContact O-N 3.09Å; P128-E130 PolarHBondContact O-N 2.67Å; E130-I133 WeakPolarHBondContact O-CG2 3.47Å; E130-L134 VanDerWaalsContact O-CG 3.31Å; E130-L134 WeakPolarHBondContact O-CG 3.43Å; E130-L134 PolarHBondContact O-N 2.87Å
131V94.6Very high95Very high0 Ų021.8 Ų21.80%013%0.128CC..Hα-helixtrans-79.8-29.4176.4-72.90000112.6W97 C102 F104 P128 I133 L134 H135W97-V131 HydrophobicContact CE3-CB 4.41Å; W97-V131 HydrophobicContact CE3-CG2 3.83Å; W97-V131 HydrophobicContact CZ3-CG2 4.24Å; C102-V131 HydrophobicContact CB-CG2 4.44Å; C102-V131 WeakPolarHBondContact O-CG1 3.14Å; F104-V131 HydrophobicContact CB-CB 3.86Å; F104-V131 HydrophobicContact CB-CG1 3.79Å; P128-V131 WeakPolarHBondContact O-CG2 3.42Å; P128-V131 PolarHBondContact O-N 3.12Å; V131-I133 PolarHBondContact O-N 3.39Å; V131-L134 HydrophobicContact CG1-CD1 4.46Å; V131-L134 PolarHBondContact O-N 2.89Å; V131-H135 PolarHBondContact O-N 3.29Å; V131-H135 VanDerWaalsContact O-N 3.08Å
132Q93.3Very high94.9Very high36 Ų3622 Ų2217%0.16813%0.129CC..Hα-helixtrans-55.8-51.6171.1-169.2166.81800110.9W97 P128 G129 L134 H135 L136W97-Q132 HydrophobicContact CE3-CB 4Å; W97-Q132 HydrophobicContact CH2-CB 3.38Å; W97-Q132 VanDerWaalsContact CH2-CD 3.45Å; W97-Q132 HydrophobicContact CH2-CG 3.3Å; W97-Q132 HydrophobicContact CZ2-CB 4.15Å; W97-Q132 HydrophobicContact CZ2-CG 3.7Å; W97-Q132 VanDerWaalsContact CZ3-CA 3.41Å; W97-Q132 HydrophobicContact CZ3-CB 3.29Å; W97-Q132 HydrophobicContact CZ3-CG 3.81Å; P128-Q132 PolarHBondContact O-N 2.9Å; G129-Q132 WeakPolarHBondContact O-CB 3.09Å; G129-Q132 PolarHBondContact O-N 2.92Å; Q132-L134 VanDerWaalsContact C-N 3.29Å; Q132-L134 PolarHBondContact O-N 2.83Å; Q132-H135 PolarHBondContact O-N 2.81Å; Q132-L136 HydrophobicContact CG-CD1 3.77Å; Q132-L136 HydrophobicContact CG-CG 4.22Å; Q132-L136 WeakPolarHBondContact O-CB 3.37Å; Q132-L136 VanDerWaalsContact O-CG 3.28Å; Q132-L136 WeakPolarHBondContact O-CG 3.38Å; Q132-L136 PolarHBondContact O-N 2.93Å
133I93.9Very high94.6Very high13 Ų1322.2 Ų22.27%0.06713%0.13CC..Hα-helixtrans-64.3-34.6-178.1-165.674.7000111.7K26 G129 E130 V131 L137 E292 L295K26-I133 HydrophobicContact CD-CG2 4.29Å; G129-I133 PolarHBondContact O-N 2.92Å; G129-I133 VanDerWaalsContact O-N 3.08Å; E130-I133 WeakPolarHBondContact O-CG2 3.47Å; V131-I133 PolarHBondContact O-N 3.39Å; I133-L137 HydrophobicContact CG1-CD1 4.06Å; I133-L137 HydrophobicContact CG1-CG 4.24Å; I133-L137 VanDerWaalsContact O-CB 3.24Å; I133-L137 WeakPolarHBondContact O-CB 3.29Å; I133-L137 WeakPolarHBondContact O-CD1 3.26Å; I133-L137 WeakPolarHBondContact O-CG 3.24Å; I133-L137 PolarHBondContact O-N 3.03Å; I133-E292 HydrophobicContact CD1-CB 4.28Å; I133-E292 HydrophobicContact CD1-CG 4.41Å; I133-L295 HydrophobicContact CD1-CD2 3.65Å
134L96.4Very high94.3Very high2 Ų222.7 Ų22.71%0.0113%0.132CC..Hα-helixtrans-62.5-47.2175.5-63.7175.8000111.5K26 A28 L66 F68 F104 E130 V131 Q132 L138K26-L134 HydrophobicContact CB-CD2 3.41Å; K26-L134 VanDerWaalsContact CB-CD2 3.41Å; K26-L134 HydrophobicContact CG-CD2 3.81Å; A28-L134 HydrophobicContact CB-CD1 4.07Å; L66-L134 HydrophobicContact CD2-CD2 4.34Å; F68-L134 HydrophobicContact CE2-CD2 3.59Å; F68-L134 HydrophobicContact CZ-CB 4.21Å; F68-L134 HydrophobicContact CZ-CD2 3.65Å; F104-L134 HydrophobicContact CB-CB 4.39Å; F104-L134 HydrophobicContact CB-CD1 4.2Å; F104-L134 HydrophobicContact CD1-CB 3.73Å; F104-L134 HydrophobicContact CD1-CD1 3.79Å; F104-L134 HydrophobicContact CD1-CG 4.37Å; F104-L134 HydrophobicContact CD2-CB 4.06Å; F104-L134 HydrophobicContact CE1-CB 3.94Å; F104-L134 HydrophobicContact CE2-CB 4.26Å; F104-L134 HydrophobicContact CG-CB 3.78Å; F104-L134 HydrophobicContact CG-CD1 4.16Å; F104-L134 HydrophobicContact CZ-CB 4.2Å; E130-L134 VanDerWaalsContact O-CG 3.31Å; E130-L134 WeakPolarHBondContact O-CG 3.43Å; E130-L134 PolarHBondContact O-N 2.87Å; V131-L134 HydrophobicContact CG1-CD1 4.46Å; V131-L134 PolarHBondContact O-N 2.89Å; Q132-L134 VanDerWaalsContact C-N 3.29Å; Q132-L134 PolarHBondContact O-N 2.83Å; L134-L138 PolarHBondContact O-N 3.47Å; L134-L138 VanDerWaalsContact O-N 3.14Å
135H96.2Very high94Very high5 Ų523 Ų232%0.02314%0.135CC..Hα-helixtrans-61.8-52.3177.6173.970.6000111.6S95 W97 F104 V131 Q132 L137 L138 C139 M389S95-H135 PolarHBondContact OG-ND1 2.8Å; S95-H135 VanDerWaalsContact OG-ND1 3.09Å; W97-H135 HydrophobicContact CB-CB 4.07Å; W97-H135 AromaticContact CD1-CD2 3.53Å; W97-H135 AromaticContact CD1-CG 3.59Å; W97-H135 AromaticContact CD1-NE2 3.96Å; W97-H135 HydrophobicContact CG-CB 3.97Å; W97-H135 AromaticContact CG-CG 3.97Å; W97-H135 AromaticContact NE1-CD2 3.66Å; F104-H135 HydrophobicContact CD2-CB 3.84Å; F104-H135 VanDerWaalsContact CE2-CA 3.49Å; F104-H135 HydrophobicContact CE2-CB 3.98Å; V131-H135 PolarHBondContact O-N 3.29Å; V131-H135 VanDerWaalsContact O-N 3.08Å; Q132-H135 PolarHBondContact O-N 2.81Å; H135-L137 VanDerWaalsContact C-N 3.31Å; H135-L137 PolarHBondContact O-N 2.85Å; H135-L138 PolarHBondContact O-N 2.91Å; H135-L138 VanDerWaalsContact O-N 3.11Å; H135-C139 PolarHBondContact CE1-SG 3.07Å; H135-C139 PolarHBondContact NE2-SG 2.95Å; H135-C139 PolarHBondContact O-N 2.86Å; H135-C139 PolarHBondContact O-SG 3.18Å; H135-M389 PolarHBondContact CE1-O 3.34Å; H135-M389 PolarHBondContact NE2-O 3.41Å
136L94.6Very high93.9Very high6 Ų623.3 Ų23.33%0.03113%0.134CC..Hα-helixtrans-62.1-37.1-179.1-67.2177.5000112.4Q132 R140 L295 T296 I299Q132-L136 HydrophobicContact CG-CD1 3.77Å; Q132-L136 HydrophobicContact CG-CG 4.22Å; Q132-L136 WeakPolarHBondContact O-CB 3.37Å; Q132-L136 VanDerWaalsContact O-CG 3.28Å; Q132-L136 WeakPolarHBondContact O-CG 3.38Å; Q132-L136 PolarHBondContact O-N 2.93Å; L136-R140 WeakPolarHBondContact O-CB 3.42Å; L136-R140 PolarHBondContact O-N 3.3Å; L136-L295 HydrophobicContact CB-CD2 3.36Å; L136-L295 HydrophobicContact CB-CG 3.75Å; L136-L295 HydrophobicContact CD1-CD2 4.39Å; L136-T296 VanDerWaalsContact CD1-OG1 3.25Å; L136-T296 WeakPolarHBondContact CD1-OG1 3.45Å; L136-I299 HydrophobicContact CB-CG1 4.43Å; L136-I299 HydrophobicContact CD2-CB 4.05Å; L136-I299 HydrophobicContact CD2-CG1 3.8Å; L136-I299 HydrophobicContact CD2-CG2 4.28Å
137L95.2Very high93.7Very high0 Ų018.8 Ų18.80%010%0.101CC..Hα-helixtrans-64.4-40.7175.5-78.4172.5000111.8I24 K26 F68 I133 H135 R140 S141 L288 L295I24-L137 HydrophobicContact CD1-CD2 3.65Å; I24-L137 HydrophobicContact CG2-CD1 3.79Å; I24-L137 HydrophobicContact CG2-CD2 4.47Å; K26-L137 HydrophobicContact CG-CD1 4.05Å; F68-L137 HydrophobicContact CD1-CB 3.98Å; F68-L137 HydrophobicContact CD2-CD1 4.19Å; F68-L137 HydrophobicContact CE1-CB 4.17Å; F68-L137 HydrophobicContact CE2-CD1 4.39Å; F68-L137 HydrophobicContact CG-CB 4.26Å; F68-L137 HydrophobicContact CG-CD1 4.46Å; I133-L137 HydrophobicContact CG1-CD1 4.06Å; I133-L137 HydrophobicContact CG1-CG 4.24Å; I133-L137 VanDerWaalsContact O-CB 3.24Å; I133-L137 WeakPolarHBondContact O-CB 3.29Å; I133-L137 WeakPolarHBondContact O-CD1 3.26Å; I133-L137 WeakPolarHBondContact O-CG 3.24Å; I133-L137 PolarHBondContact O-N 3.03Å; H135-L137 VanDerWaalsContact C-N 3.31Å; H135-L137 PolarHBondContact O-N 2.85Å; L137-R140 PolarHBondContact O-N 3.09Å; L137-S141 WeakPolarHBondContact O-CB 3.48Å; L137-S141 PolarHBondContact O-N 2.79Å; L137-S141 PolarHBondContact O-OG 3.35Å; L137-L288 HydrophobicContact CD2-CD1 4.28Å; L137-L288 HydrophobicContact CD2-CD2 4.33Å; L137-L288 HydrophobicContact CD2-CG 4.17Å; L137-L295 HydrophobicContact CD2-CD2 4.01Å; L137-L295 HydrophobicContact CG-CD2 4.02Å
138L96.4Very high93.5Very high0 Ų018.6 Ų18.60%010%0.103CC..Hα-helixtrans-67.7-48.3177.5-173.453.2000111.1F68 L89 I92 F104 F106 L134 H135 R140 S141 F142F68-L138 HydrophobicContact CE1-CB 4.11Å; L89-L138 HydrophobicContact CD2-CD1 4.03Å; I92-L138 HydrophobicContact CD1-CD1 3.95Å; I92-L138 HydrophobicContact CG2-CD2 4.37Å; F104-L138 HydrophobicContact CE2-CD2 4.33Å; F104-L138 HydrophobicContact CZ-CB 4.46Å; F104-L138 HydrophobicContact CZ-CD2 3.83Å; F106-L138 HydrophobicContact CB-CD2 3.77Å; F106-L138 HydrophobicContact CD1-CD2 4.36Å; F106-L138 HydrophobicContact CG-CD2 4.16Å; L134-L138 PolarHBondContact O-N 3.47Å; L134-L138 VanDerWaalsContact O-N 3.14Å; H135-L138 PolarHBondContact O-N 2.91Å; H135-L138 VanDerWaalsContact O-N 3.11Å; L138-R140 VanDerWaalsContact C-N 3.27Å; L138-R140 PolarHBondContact O-N 3.01Å; L138-S141 WeakPolarHBondContact O-CA 3.33Å; L138-S141 VanDerWaalsContact O-CB 3.28Å; L138-S141 WeakPolarHBondContact O-CB 3.28Å; L138-S141 PolarHBondContact O-N 3.02Å; L138-F142 HydrophobicContact CD1-CD1 4.37Å; L138-F142 HydrophobicContact CD1-CE1 3.56Å; L138-F142 HydrophobicContact CD1-CZ 3.75Å; L138-F142 HydrophobicContact CD2-CZ 4Å; L138-F142 HydrophobicContact CG-CE1 3.85Å; L138-F142 HydrophobicContact CG-CE2 4.08Å; L138-F142 HydrophobicContact CG-CZ 3.5Å; L138-F142 WeakPolarHBondContact O-CG 3.14Å; L138-F142 PolarHBondContact O-N 2.9Å
139C95.4Very high93.4Very high3 Ų320.5 Ų20.52%0.0211%0.106CC..Hα-helixtrans-58.2-39.7174.6-68.20000112H135 S141 F142 Q143 I299H135-C139 PolarHBondContact CE1-SG 3.07Å; H135-C139 PolarHBondContact NE2-SG 2.95Å; H135-C139 PolarHBondContact O-N 2.86Å; H135-C139 PolarHBondContact O-SG 3.18Å; C139-S141 VanDerWaalsContact C-N 3.27Å; C139-S141 PolarHBondContact O-N 3.06Å; C139-F142 WeakPolarHBondContact O-CB 3.44Å; C139-F142 PolarHBondContact O-N 2.8Å; C139-F142 VanDerWaalsContact O-N 3.16Å; C139-Q143 WeakPolarHBondContact O-CG 3.06Å; C139-Q143 PolarHBondContact O-N 3.4Å; C139-I299 HydrophobicContact CB-CD1 3.84Å; C139-I299 HydrophobicContact CB-CG1 4.2Å; C139-I299 HydrophobicContact CB-CG2 4.07Å
140R93.8Very high93.4Very high21 Ų2122 Ų228%0.07911%0.108CC..Hα-helixtrans-66.4-36.8178-169.257.4178.8159.81.2110.7L136 L137 L138 F142 Q143 L144 L288 L295 I299 A303L136-R140 WeakPolarHBondContact O-CB 3.42Å; L136-R140 PolarHBondContact O-N 3.3Å; L137-R140 PolarHBondContact O-N 3.09Å; L138-R140 VanDerWaalsContact C-N 3.27Å; L138-R140 PolarHBondContact O-N 3.01Å; R140-F142 VanDerWaalsContact C-N 3.31Å; R140-F142 PolarHBondContact O-N 2.96Å; R140-Q143 PolarHBondContact O-N 3Å; R140-L144 HydrophobicContact CG-CD1 4.05Å; R140-L144 HydrophobicContact CG-CG 4.31Å; R140-L144 WeakPolarHBondContact O-CB 3.26Å; R140-L144 VanDerWaalsContact O-CG 3.29Å; R140-L144 WeakPolarHBondContact O-CG 3.32Å; R140-L144 PolarHBondContact O-N 3.29Å; R140-L288 HydrophobicContact CB-CD1 3.95Å; R140-L288 HydrophobicContact CG-CD1 4.02Å; R140-L295 HydrophobicContact CB-CD1 3.74Å; R140-L295 HydrophobicContact CG-CD1 3.84Å; R140-I299 VanDerWaalsContact CA-CD1 3.41Å; R140-I299 HydrophobicContact CB-CD1 3.65Å; R140-I299 HydrophobicContact CG-CD1 4.36Å; R140-I299 VanDerWaalsContact N-CD1 3.26Å; R140-A303 PolarHBondContact NH1-O 2.82Å; R140-A303 PolarHBondContact NH2-O 2.81Å
141S94.3Very high93.2Very high1 Ų122.7 Ų22.71%0.00712%0.117CC..Hα-helixtrans-62.7-39.3175.1-56.20000111.3L137 L138 C139 A145 L288L137-S141 WeakPolarHBondContact O-CB 3.48Å; L137-S141 PolarHBondContact O-N 2.79Å; L137-S141 PolarHBondContact O-OG 3.35Å; L138-S141 WeakPolarHBondContact O-CA 3.33Å; L138-S141 VanDerWaalsContact O-CB 3.28Å; L138-S141 WeakPolarHBondContact O-CB 3.28Å; L138-S141 PolarHBondContact O-N 3.02Å; C139-S141 VanDerWaalsContact C-N 3.27Å; C139-S141 PolarHBondContact O-N 3.06Å; S141-A145 VanDerWaalsContact O-CB 3.26Å; S141-A145 WeakPolarHBondContact O-CB 3.43Å; S141-A145 PolarHBondContact O-N 3.46Å; S141-L288 WeakPolarHBondContact OG-CD1 3.49Å
142F95.2Very high92.9Very high4 Ų428.9 Ų28.92%0.01815%0.146CC..Hα-helixtrans-61.7-49.1173.4-58.4-23.3000112.1L89 I92 L138 C139 R140 L144 A145 Y146 N393L89-F142 HydrophobicContact CD2-CD1 4.24Å; L89-F142 HydrophobicContact CD2-CE1 4.15Å; I92-F142 HydrophobicContact CB-CE1 4.09Å; I92-F142 HydrophobicContact CB-CZ 4.15Å; I92-F142 HydrophobicContact CG2-CE1 4.07Å; I92-F142 HydrophobicContact CG2-CZ 3.63Å; L138-F142 HydrophobicContact CD1-CD1 4.37Å; L138-F142 HydrophobicContact CD1-CE1 3.56Å; L138-F142 HydrophobicContact CD1-CZ 3.75Å; L138-F142 HydrophobicContact CD2-CZ 4Å; L138-F142 HydrophobicContact CG-CE1 3.85Å; L138-F142 HydrophobicContact CG-CE2 4.08Å; L138-F142 HydrophobicContact CG-CZ 3.5Å; L138-F142 WeakPolarHBondContact O-CG 3.14Å; L138-F142 PolarHBondContact O-N 2.9Å; C139-F142 WeakPolarHBondContact O-CB 3.44Å; C139-F142 PolarHBondContact O-N 2.8Å; C139-F142 VanDerWaalsContact O-N 3.16Å; R140-F142 VanDerWaalsContact C-N 3.31Å; R140-F142 PolarHBondContact O-N 2.96Å; F142-L144 PolarHBondContact O-N 2.83Å; F142-A145 PolarHBondContact O-N 3.41Å; F142-Y146 WeakPolarHBondContact O-CB 3.49Å; F142-Y146 PolarHBondContact O-N 3.45Å; F142-N393 HydrophobicContact CB-CB 4.47Å; F142-N393 HydrophobicContact CD1-CB 3.82Å; F142-N393 HydrophobicContact CD2-CB 3.74Å; F142-N393 HydrophobicContact CE1-CB 3.87Å; F142-N393 HydrophobicContact CE2-CB 3.79Å; F142-N393 HydrophobicContact CG-CB 3.77Å; F142-N393 HydrophobicContact CZ-CB 3.85Å
143Q93.1Very high92.6Very high5 Ų529.5 Ų29.52%0.02315%0.149CC..Hα-helixtrans-60.3-45179.1-66.3-178.9-18.900112.1C139 R140 Y146 L147 N298 I299 F302C139-Q143 WeakPolarHBondContact O-CG 3.06Å; C139-Q143 PolarHBondContact O-N 3.4Å; R140-Q143 PolarHBondContact O-N 3Å; Q143-Y146 WeakPolarHBondContact O-CB 3.4Å; Q143-Y146 PolarHBondContact O-N 3.14Å; Q143-L147 VanDerWaalsContact O-CG 3.31Å; Q143-L147 WeakPolarHBondContact O-CG 3.47Å; Q143-L147 PolarHBondContact O-N 3.22Å; Q143-N298 PolarHBondContact OE1-O 3.23Å; Q143-I299 PolarHBondContact NE2-O 2.89Å; Q143-I299 VanDerWaalsContact NE2-O 3.1Å; Q143-F302 HydrophobicContact CB-CD2 4.02Å; Q143-F302 HydrophobicContact CB-CE2 3.54Å; Q143-F302 HydrophobicContact CB-CZ 3.98Å; Q143-F302 HydrophobicContact CG-CD1 4.22Å; Q143-F302 HydrophobicContact CG-CD2 3.73Å; Q143-F302 HydrophobicContact CG-CE1 4Å; Q143-F302 HydrophobicContact CG-CE2 3.51Å; Q143-F302 HydrophobicContact CG-CG 4.1Å; Q143-F302 HydrophobicContact CG-CZ 3.66Å
144L91Very high92.2Very high10 Ų1034 Ų345%0.05217%0.165CC..Hα-helixtrans-67.7-39.6178.8-70.3175.7000111.9L70 R140 F142 Y146 L147 L148 L288L70-L144 HydrophobicContact CD2-CB 3.66Å; L70-L144 HydrophobicContact CD2-CD1 4Å; R140-L144 HydrophobicContact CG-CD1 4.05Å; R140-L144 HydrophobicContact CG-CG 4.31Å; R140-L144 WeakPolarHBondContact O-CB 3.26Å; R140-L144 VanDerWaalsContact O-CG 3.29Å; R140-L144 WeakPolarHBondContact O-CG 3.32Å; R140-L144 PolarHBondContact O-N 3.29Å; F142-L144 PolarHBondContact O-N 2.83Å; L144-Y146 VanDerWaalsContact C-N 3.31Å; L144-Y146 PolarHBondContact O-N 2.96Å; L144-L147 PolarHBondContact O-N 2.9Å; L144-L148 VanDerWaalsContact O-CG 3.29Å; L144-L148 WeakPolarHBondContact O-CG 3.32Å; L144-L148 PolarHBondContact O-N 3.16Å; L144-L148 VanDerWaalsContact O-N 3.1Å; L144-L288 HydrophobicContact CD1-CD1 4.33Å
145A91.9Very high91.5Very high11 Ų1136.6 Ų36.69%0.09119%0.186CC..Hα-helixtrans-61.7-42.1174.600000111.4L89 S141 F142 L148 Q149 T395L89-A145 HydrophobicContact CD1-CB 3.95Å; S141-A145 VanDerWaalsContact O-CB 3.26Å; S141-A145 WeakPolarHBondContact O-CB 3.43Å; S141-A145 PolarHBondContact O-N 3.46Å; F142-A145 PolarHBondContact O-N 3.41Å; A145-L148 WeakPolarHBondContact O-CB 3.47Å; A145-L148 PolarHBondContact O-N 3.49Å; A145-Q149 PolarHBondContact O-N 2.85Å; A145-T395 HydrophobicContact CB-CG2 4.09Å
146Y92.8Very high90.4Very high16 Ų1643.6 Ų43.66%0.06322%0.223CC..Hα-helixtrans-61.3-49.2176.4-174.1-91.8000111.9F142 Q143 L144 L148 Q149 H150 E153 F302 I305 L313 P394 T395F142-Y146 WeakPolarHBondContact O-CB 3.49Å; F142-Y146 PolarHBondContact O-N 3.45Å; Q143-Y146 WeakPolarHBondContact O-CB 3.4Å; Q143-Y146 PolarHBondContact O-N 3.14Å; L144-Y146 VanDerWaalsContact C-N 3.31Å; L144-Y146 PolarHBondContact O-N 2.96Å; Y146-L148 PolarHBondContact O-N 2.87Å; Y146-L148 VanDerWaalsContact O-N 3.17Å; Y146-Q149 PolarHBondContact O-N 2.67Å; Y146-H150 AromaticContact CD2-CD2 3.75Å; Y146-H150 HydrophobicContact CE1-CB 4.12Å; Y146-H150 AromaticContact CE1-CD2 4Å; Y146-H150 AromaticContact CE2-CD2 3.47Å; Y146-H150 VanDerWaalsContact CE2-CD2 3.47Å; Y146-H150 WeakPolarHBondContact CE2-CD2 2.9Å; Y146-H150 AromaticContact CE2-NE2 3.89Å; Y146-H150 AromaticContact CZ-CD2 3.6Å; Y146-H150 PolarHBondContact O-N 3.11Å; Y146-E153 WeakPolarHBondContact CE1-OE2 3.29Å; Y146-E153 PolarHBondContact OH-OE1 3.08Å; Y146-E153 PolarHBondContact OH-OE2 2.88Å; Y146-F302 HydrophobicContact CD1-CZ 4.32Å; Y146-I305 HydrophobicContact CD1-CD1 3.96Å; Y146-I305 HydrophobicContact CE1-CD1 3.63Å; Y146-L313 HydrophobicContact CD1-CD1 4.12Å; Y146-L313 HydrophobicContact CE1-CD1 3.74Å; Y146-L313 HydrophobicContact CE2-CD1 4.18Å; Y146-L313 HydrophobicContact CE2-CD2 3.81Å; Y146-L313 HydrophobicContact CG-CD1 4.5Å; Y146-P394 HydrophobicContact CD2-CB 3.59Å; Y146-P394 HydrophobicContact CD2-CG 3.59Å; Y146-P394 HydrophobicContact CE2-CB 3.89Å; Y146-P394 HydrophobicContact CE2-CG 4.32Å; Y146-P394 HydrophobicContact CG-CB 4.42Å; Y146-P394 HydrophobicContact CG-CG 3.96Å; Y146-T395 HydrophobicContact CD2-CG2 4.12Å; Y146-T395 HydrophobicContact CG-CG2 4.47Å
147L90.2Very high88.5Confident14 Ų1446.5 Ų46.57%0.07324%0.242CC..Hα-helixtrans-65.2-18.7177.7-68.6169.3000114.2Q143 L144 R154 I305Q143-L147 VanDerWaalsContact O-CG 3.31Å; Q143-L147 WeakPolarHBondContact O-CG 3.47Å; Q143-L147 PolarHBondContact O-N 3.22Å; L144-L147 PolarHBondContact O-N 2.9Å; L147-R154 HydrophobicContact CD2-CG 3.98Å; L147-R154 PolarHBondContact O-NE 2.85Å; L147-R154 PolarHBondContact O-NH2 2.91Å; L147-I305 HydrophobicContact CD2-CB 4.03Å; L147-I305 HydrophobicContact CD2-CG1 4.08Å
148L89.3Confident86.4Confident102 Ų10253.9 Ų53.953%0.53428%0.277SS..Hα-helixtrans-79.4-32.2171.4-73.6172.1000111.9L70 L144 A145 Y146L70-L148 HydrophobicContact CD1-CD1 4Å; L144-L148 VanDerWaalsContact O-CG 3.29Å; L144-L148 WeakPolarHBondContact O-CG 3.32Å; L144-L148 PolarHBondContact O-N 3.16Å; L144-L148 VanDerWaalsContact O-N 3.1Å; A145-L148 WeakPolarHBondContact O-CB 3.47Å; A145-L148 PolarHBondContact O-N 3.49Å; Y146-L148 PolarHBondContact O-N 2.87Å; Y146-L148 VanDerWaalsContact O-N 3.17Å
149Q90.4Very high83.7Confident103 Ų10359.1 Ų59.148%0.48131%0.311SS..Hα-helixtrans-81.3-30.8176.7-67.1175.91.400112.2A145 Y146 P151A145-Q149 PolarHBondContact O-N 2.85Å; Y146-Q149 PolarHBondContact O-N 2.67Å; Q149-P151 VanDerWaalsContact C-CD 3.45Å; Q149-P151 WeakPolarHBondContact O-CD 3.43Å
150H90.9Very high80.8Confident54 Ų5464.4 Ų64.425%0.2535%0.347CS..  trans-122.867.2-174.8-62.2-72.9000112.1Y146 E152 E153Y146-H150 AromaticContact CD2-CD2 3.75Å; Y146-H150 HydrophobicContact CE1-CB 4.12Å; Y146-H150 AromaticContact CE1-CD2 4Å; Y146-H150 AromaticContact CE2-CD2 3.47Å; Y146-H150 VanDerWaalsContact CE2-CD2 3.47Å; Y146-H150 WeakPolarHBondContact CE2-CD2 2.9Å; Y146-H150 AromaticContact CE2-NE2 3.89Å; Y146-H150 AromaticContact CZ-CD2 3.6Å; Y146-H150 PolarHBondContact O-N 3.11Å; H150-E152 WeakPolarHBondContact CA-OE1 3.47Å; H150-E152 WeakPolarHBondContact CA-OE2 3.43Å; H150-E152 IonicContact CG-OE1 3.6Å; H150-E152 IonicContact ND1-OE1 3.71Å; H150-E152 PolarHBondContact ND1-OE1 3.22Å; H150-E152 VanDerWaalsContact ND1-OE1 3.08Å; H150-E152 PolarHBondContact O-N 3.34Å; H150-E153 HydrophobicContact CB-CB 4.23Å; H150-E153 HydrophobicContact CB-CG 4.01Å; H150-E153 WeakPolarHBondContact CB-OE2 3.5Å; H150-E153 IonicContact CG-OE2 3.21Å; H150-E153 PolarHBondContact O-N 2.8Å
151P87.8Confident78.2Confident71 Ų7169.4 Ų69.446%0.46138%0.382SS..G310 helixtrans-61-26.5178.426.6-35.6000113.6Q149 E153 R154Q149-P151 VanDerWaalsContact C-CD 3.45Å; Q149-P151 WeakPolarHBondContact O-CD 3.43Å; P151-E153 VanDerWaalsContact C-N 3.29Å; P151-E153 PolarHBondContact O-N 3.44Å; P151-R154 WeakPolarHBondContact O-CB 3.49Å; P151-R154 WeakPolarHBondContact O-CD 3.47Å; P151-R154 VanDerWaalsContact O-CG 3.32Å; P151-R154 WeakPolarHBondContact O-CG 3.39Å
152E88.7Confident75.7Confident130 Ų13071.7 Ų71.761%0.60741%0.405SS*.G310 helixtrans-68.3-23.6178.568.9-72.117200113.9H150 R154H150-E152 WeakPolarHBondContact CA-OE1 3.47Å; H150-E152 WeakPolarHBondContact CA-OE2 3.43Å; H150-E152 IonicContact CG-OE1 3.6Å; H150-E152 IonicContact ND1-OE1 3.71Å; H150-E152 PolarHBondContact ND1-OE1 3.22Å; H150-E152 VanDerWaalsContact ND1-OE1 3.08Å; H150-E152 PolarHBondContact O-N 3.34Å; E152-R154 VanDerWaalsContact C-N 3.35Å
153E86.9Confident73Confident49 Ų4977.7 Ų77.723%0.22945%0.445CS..G310 helixtrans-92.8-0.1-175.9-60.3-177.2158.500113.3Y146 H150 P151 S306 C309Y146-E153 WeakPolarHBondContact CE1-OE2 3.29Å; Y146-E153 PolarHBondContact OH-OE1 3.08Å; Y146-E153 PolarHBondContact OH-OE2 2.88Å; H150-E153 HydrophobicContact CB-CB 4.23Å; H150-E153 HydrophobicContact CB-CG 4.01Å; H150-E153 WeakPolarHBondContact CB-OE2 3.5Å; H150-E153 IonicContact CG-OE2 3.21Å; H150-E153 PolarHBondContact O-N 2.8Å; P151-E153 VanDerWaalsContact C-N 3.29Å; P151-E153 PolarHBondContact O-N 3.44Å; E153-S306 WeakPolarHBondContact O-CB 3.26Å; E153-S306 PolarHBondContact O-N 2.95Å; E153-S306 PolarHBondContact O-OG 3.12Å; E153-C309 HydrophobicContact CB-CB 4.29Å; E153-C309 PolarHBondContact OE2-SG 3.09Å
154R84.9Confident70.7Confident108 Ų10886 Ų8641%0.40849%0.488SS..BIsolated β-bridgetrans-59.6143.9177.1-71.2177.9-178.31795.5110.8L147 P151 E152 L156 G304L147-R154 HydrophobicContact CD2-CG 3.98Å; L147-R154 PolarHBondContact O-NE 2.85Å; L147-R154 PolarHBondContact O-NH2 2.91Å; P151-R154 WeakPolarHBondContact O-CB 3.49Å; P151-R154 WeakPolarHBondContact O-CD 3.47Å; P151-R154 VanDerWaalsContact O-CG 3.32Å; P151-R154 WeakPolarHBondContact O-CG 3.39Å; E152-R154 VanDerWaalsContact C-N 3.35Å; R154-L156 PolarHBondContact O-N 3.03Å; R154-L156 VanDerWaalsContact O-N 3.13Å; R154-G304 WeakPolarHBondContact CA-O 3.35Å
155A82.4Confident68.1Low55 Ų5588.5 Ų88.546%0.45552%0.516SS..PPolyproline II helixtrans-57.8120.9172.200000109.4G304A155-G304 PolarHBondContact N-O 3.43Å
156L72.5Confident65.2Low152 Ų15297.3 Ų97.380%0.79656%0.555SS**PPolyproline II helixtrans-71.2143.5172.5-75.3164.1000108.9R154 E158R154-L156 PolarHBondContact O-N 3.03Å; R154-L156 VanDerWaalsContact O-N 3.13Å; L156-E158 PolarHBondContact O-N 3.05Å; L156-E158 VanDerWaalsContact O-N 3.15Å
157P56.1Low62.6Low67 Ų67102.5 Ų102.544%0.43559%0.588SS.*PPolyproline II helixtrans-59.1121.6167.9-17.330.6000108.1P159 P282P157-P159 WeakPolarHBondContact O-CD 3.15Å; P157-P159 VanDerWaalsContact O-N 3.15Å; P157-P282 HydrophobicContact CB-CG 4.46Å; P157-P282 HydrophobicContact CG-CB 3.99Å; P157-P282 HydrophobicContact CG-CG 3.75Å
158E51.3Low59.9Low155 Ų155108 Ų10872%0.72462%0.624SS**PPolyproline II helixtrans-51.4122.5165.9-73.6-66.2142.600107.2L156 C160L156-E158 PolarHBondContact O-N 3.05Å; L156-E158 VanDerWaalsContact O-N 3.15Å; E158-C160 PolarHBondContact O-N 2.94Å
159P38.8Very low57.2Low110 Ų110111.1 Ų111.171%0.71464%0.641SS**PPolyproline II helixtrans-58.8116.8173.621.9-28.2000106.6P157 P161P157-P159 WeakPolarHBondContact O-CD 3.15Å; P157-P159 VanDerWaalsContact O-N 3.15Å; P159-P161 WeakPolarHBondContact O-CD 3.47Å
160C33.7Very low54.3Low115 Ų115115.4 Ų115.478%0.77766%0.658SS**PPolyproline II helixtrans-46.9123.3172.4-650000107.1E158 G162E158-C160 PolarHBondContact O-N 2.94Å; C160-G162 VanDerWaalsContact C-N 3.34Å; C160-G162 PolarHBondContact O-N 3.35Å
161P39.9Very low51.3Low126 Ų126118.2 Ų118.282%0.81868%0.684SS**  trans-58.9109.4170.120.6-27.2000105.7P159P159-P161 WeakPolarHBondContact O-CD 3.47Å
162G42.2Very low48.5Very low49 Ų49123.4 Ų123.451%0.50571%0.707SS.*  trans-54.1150.816900000108.2C160 I164C160-G162 VanDerWaalsContact C-N 3.34Å; C160-G162 PolarHBondContact O-N 3.35Å; G162-I164 PolarHBondContact O-N 3.06Å; G162-I164 VanDerWaalsContact O-N 3.09Å
163P38Very low45.6Very low129 Ų129122.4 Ų122.484%0.83871%0.714SS**  trans-51.7125.7176.820.8-29.8000109G165P163-G165 PolarHBondContact O-N 3.32Å; P163-G165 VanDerWaalsContact O-N 3.07Å
164I43.9Very low42.8Very low181 Ų181125.7 Ų125.793%0.92874%0.742SS**SBendtrans-57.3113175.4-66.9169.4000107.1G162G162-I164 PolarHBondContact O-N 3.06Å; G162-I164 VanDerWaalsContact O-N 3.09Å
165G38.3Very low40.1Very low62 Ų62126.7 Ų126.764%0.63977%0.766SS**  trans147.882.5174.100000112.5P163P163-G165 PolarHBondContact O-N 3.32Å; P163-G165 VanDerWaalsContact O-N 3.07Å
166E31Very low37.4Very low195 Ų195128 Ų12891%0.91178%0.784SS**  168.6134.6109.4-88.6-168.7168.600110.6
167V38.1Very low35.3Very low126 Ų126124.5 Ų124.576%0.76479%0.785SS**  trans-64.9138.6177.5178.80000109.3L169V167-L169 PolarHBondContact O-N 2.51Å
168P32.4Very low34.5Very low129 Ų129127.2 Ų127.284%0.83880%0.803SS**  trans-75.4101.9177.828.2-29.9000110.2
169L32.4Very low34.1Very low167 Ų167125.9 Ų125.987%0.87481%0.808SS**PPolyproline II helixtrans-98.3134.7164.3-151.780.7000110.7V167V167-L169 PolarHBondContact O-N 2.51Å
170K30.5Very low33.6Very low193 Ų193124.7 Ų124.784%0.83982%0.815SS**PPolyproline II helixtrans-54.2152.6-172.9-71.7167.8173.8173.40115.1
171S28Very low33.4Very low114 Ų114122.6 Ų122.680%0.79781%0.813SS**PPolyproline II helixtrans-48.6135.4172.4600000115.3
172L27.5Very low33.1Very low180 Ų180125 Ų12594%0.94282%0.818SS**  trans-145.7146.4146.1-87.2171.6000109.6
173S28.2Very low32.6Very low109 Ų109129.3 Ų129.376%0.76283%0.834SS**  trans-105.2142.7-157.233.50000115
174S28.6Very low32.4Very low118 Ų118133.5 Ų133.583%0.82583%0.833SS**  trans80.8143.5142.390.70000123.5
175S28.9Very low31.8Very low128 Ų128132.3 Ų132.390%0.89582%0.824SS**  trans107.8122.3153.1-162.10000113.6
176G26.1Very low31.7Very low82 Ų82135.5 Ų135.585%0.84583%0.833SS**  cis167.9138.41.400000107.3
177G28.5Very low31.8Very low79 Ų79134.8 Ų134.881%0.81483%0.828SS**  trans152.9122.6172.500000116.2
178P37.5Very low31.6Very low125 Ų125132 Ų13281%0.81282%0.824SS**  trans-113.9-167.6-177.742.1-30.9000112.9
179P43.1Very low32.2Very low127 Ų127137.2 Ų137.283%0.82583%0.827SS**  cis-125.4157.7-46.331.2-14.3000111.7
180G29.1Very low32.8Very low84 Ų84136.8 Ų136.887%0.86683%0.825SS**  trans167.193.9166.800000114.1
181G30.3Very low33.5Very low71 Ų71136.2 Ų136.273%0.73283%0.826SS**  trans164.697.6173.700000111.1V183G181-V183 PolarHBondContact O-N 3.2Å; G181-V183 VanDerWaalsContact O-N 3.15Å
182L32.9Very low34.1Very low178 Ų178139.3 Ų139.393%0.93283%0.832SS**  trans-46.8114.3-179.9-68.1158.3000111.7R184L182-R184 PolarHBondContact O-N 2.98Å
183V30.8Very low34.7Very low139 Ų139135.7 Ų135.784%0.84282%0.822SS**  trans-60.6114.9165171.20000107.6G181G181-V183 PolarHBondContact O-N 3.2Å; G181-V183 VanDerWaalsContact O-N 3.15Å
184R33.8Very low35.5Very low216 Ų216139.8 Ų139.882%0.81583%0.83SS**  trans-99.7106.4165.9-157-178.7-142.9-1575.2107L182L182-R184 PolarHBondContact O-N 2.98Å
185E31.8Very low36.3Very low157 Ų157141 Ų14173%0.73483%0.826SS**PPolyproline II helixtrans-52.9139.2171.1-80.2-174131.500110.5F187E185-F187 PolarHBondContact O-N 3.24Å
186P35.4Very low37.1Very low129 Ų129140.8 Ų140.884%0.83882%0.82SS**PPolyproline II helixtrans-68.2117.9168.1-10.525.6000108.7G188P186-G188 PolarHBondContact O-N 3.17Å
187F35.1Very low37.7Very low180 Ų180146.6 Ų146.679%0.78982%0.824SS**PPolyproline II helixtrans-55.5132.3172.4-70.4-86.9000110.7E185 R189E185-F187 PolarHBondContact O-N 3.24Å; F187-R189 PolarHBondContact O-N 2.93Å
188G33.6Very low38.6Very low66 Ų66147.2 Ų147.268%0.6882%0.822SS**PPolyproline II helixtrans-57.2135172.900000111.2P186 D190P186-G188 PolarHBondContact O-N 3.17Å; G188-D190 PolarHBondContact O-N 3.5Å
189R43.8Very low38.8Very low239 Ų239149 Ų14990%0.90282%0.823SS**THydrogen-bonded Turntrans-72.959.7179.9-172.4-161.1-80.4-123.7-6.2111.1F187F187-R189 PolarHBondContact O-N 2.93Å
190D44.6Very low38.5Very low158 Ų158149.9 Ų149.985%0.84583%0.827SS**THydrogen-bonded Turntrans-146.615.3174.4-81.7-41.4000114.3G188G188-D190 PolarHBondContact O-N 3.5Å
191Q46.6Very low38.7Very low182 Ų182151.1 Ų151.185%0.8582%0.822SS**  trans-144.467.8176.6-69.5-173.823.500114.5
192L40.5Very low38.7Very low178 Ų178157.7 Ų157.793%0.93283%0.831SS**  trans-135.4115.8161.3-74174.5000111
193S39.8Very low38.7Very low105 Ų105161.1 Ų161.173%0.73483%0.831SS**  trans-74.6143.2177.191.40000111.5N195S193-N195 PolarHBondContact O-N 3.37Å
194Q44.6Very low39Very low195 Ų195166 Ų16691%0.91184%0.835SS**SBendtrans-69.419.2-168.6-96.1166.7-23.600117.7
195N45.3Very low39Very low142 Ų142163.7 Ų163.776%0.75984%0.837SS**  trans-119.826.8-168.3-72-21.4000116.7S193S193-N195 PolarHBondContact O-N 3.37Å
196V46.3Very low39.1Very low124 Ų124162.2 Ų162.275%0.75284%0.841SS**  trans-14076.9170.2-167.10000111.5
197H38.6Very low39Very low204 Ų204160.9 Ų160.994%0.94484%0.841SS**SBendtrans-136.89.9156.2-96-66.5000114
198A47.4Very low38.9Very low92 Ų92162.1 Ų162.176%0.7685%0.849SS**SBendtrans-110.859.8177.800000111.5
199L41Very low38.8Very low162 Ų162162.6 Ų162.685%0.84886%0.855SS**  trans-176.788.7163.8-103.2137.9000107.6
200V37.6Very low38.1Very low147 Ų147159.2 Ų159.289%0.89185%0.853SS**  trans-178.990.3131.9-173.80000107.2
201S32.3Very low37.4Very low109 Ų109158.1 Ų158.176%0.76285%0.852SS**  trans-152.473.7150.978.10000110.9
202F30.4Very low36.5Very low210 Ų210152.5 Ų152.592%0.92184%0.843SS**  trans-122.789.6155.3-71.1-72.9000107.8
203R33.8Very low35.8Very low250 Ų250150.3 Ų150.394%0.94384%0.843SS**  trans-95.1113.1153.9-87.9-168.6179.8-165.21.3107.4
204R36Very low35.2Very low242 Ų242148.4 Ų148.491%0.91384%0.84SS**PPolyproline II helixtrans-69.8131.6164.4-67.1179.9-164.6-179.94.4107.9
205L34.3Very low34.5Very low167 Ų167148.3 Ų148.387%0.87484%0.836SS**PPolyproline II helixtrans-77.9141.5165.7-74.5164.4000109.2
206P34.9Very low33.6Very low126 Ų126150.3 Ų150.382%0.81884%0.841SS**PPolyproline II helixtrans-75.2147.1171.2-6.223.3000111.1
207A33.2Very low32.8Very low101 Ų101151.6 Ų151.684%0.83584%0.843SS**PPolyproline II helixtrans-88.6132.317300000110.3
208E32.8Very low32.5Very low205 Ų205147.6 Ų147.696%0.95884%0.835SS**  trans-143.7137.6158.9-100.7174.9171.800107.5
209G30.9Very low31.5Very low77 Ų77151.4 Ų151.479%0.79484%0.837SS**  trans-119.1-173.7-163.300000115.9
210L29.9Very low30.9Very low167 Ų167149.9 Ų149.987%0.87484%0.84SS**  trans98.4134.2151.5-145.576.7000119.5
211V29.5Very low30.5Very low136 Ų136152.1 Ų152.182%0.82484%0.84SS**  trans75.9128.4161.9-157.70000115.2
212G27.7Very low30.3Very low64 Ų64150.6 Ų150.666%0.6684%0.842SS**  cis144.5139.98.200000109
213S26.6Very low30.3Very low132 Ų132152.2 Ų152.292%0.92384%0.842SS**  trans86.7112.5158.9-154.10000120.8
214G25.6Very low30Very low65 Ų65144.8 Ų144.867%0.6783%0.834SS**  108.9115.1109.400000120.4
215K30.2Very low29.8Very low192 Ų192144.9 Ų144.984%0.83584%0.835SS**  trans78.5108.2144.7-61.2-169.9176-171.10118
216E26Very low29.7Very low185 Ų185145.8 Ų145.886%0.86483%0.834SS**  88.4124.283.8-81-169151.200113.8
217L30.1Very low29.7Very low151 Ų151144.5 Ų144.579%0.79183%0.834SS**  trans-92.2159.9173.5-168.579.6000109.4E219L217-E219 HydrophobicContact CD2-CG 4.42Å
218P32.8Very low29.9Very low119 Ų119151.3 Ų151.377%0.77384%0.838SS**  -138.7126117.631.2-15.4000112
219E26.9Very low30.2Very low173 Ų173150.6 Ų150.681%0.80884%0.84SS**  60.5113.195.8-69.4-161.3145.200115.6L217L217-E219 HydrophobicContact CD2-CG 4.42Å
220S27.7Very low30.5Very low129 Ų129149.8 Ų149.890%0.90283%0.831SS**  trans-148.3128.8147.5-165.40000110.5
221E28.8Very low30.9Very low194 Ų194147.3 Ų147.391%0.90782%0.819SS**  trans-79.7151.7-169.2-62.2174.7111.200113.5
222G27.2Very low31.6Very low77 Ų77146.5 Ų146.579%0.79482%0.817SS**  trans-169.653177.400000115.3
223R30.6Very low32.2Very low244 Ų244153 Ų15392%0.92182%0.823SS**  trans9.8115.1152.7-159-175.6-147.7-163.86.3119
224A28.7Very low32.8Very low94 Ų94151.1 Ų151.178%0.77781%0.808SS**  trans-164.6117.613300000111.1
225R31.4Very low33.6Very low245 Ų245151 Ų15193%0.92580%0.797SS**  trans-82.5122.2-178.5-65.8178.5175.9-176.6-1.8110.3
226H31.2Very low34.6Very low185 Ų185145.6 Ų145.686%0.85678%0.782SS**  trans-122124.5152.8-82.7-77000109.6R228H226-R228 PolarHBondContact O-N 3.31Å
227A35.5Very low35.7Very low99 Ų99141.7 Ų141.782%0.81877%0.77SS**  trans-60.6123.4-17200000112.9
228R38.3Very low36.6Very low245 Ų245140.3 Ų140.393%0.92576%0.764SS**  trans-129.793.8150.1-65.3-165.2-151.3-132.27.1108H226 G230H226-R228 PolarHBondContact O-N 3.31Å; R228-G230 VanDerWaalsContact C-N 3.25Å; R228-G230 PolarHBondContact O-N 2.92Å
229L39.2Very low37.6Very low189 Ų189138.9 Ų138.999%0.9975%0.752SS**  trans-74.385.7165-105144.1000107.8
230G36.9Very low38.9Very low60 Ų60137.3 Ų137.362%0.61974%0.739SS**  trans-116.7117.4165.200000108.5R228R228-G230 VanDerWaalsContact C-N 3.25Å; R228-G230 PolarHBondContact O-N 2.92Å
231N38.3Very low40.2Very low115 Ų115138.2 Ų138.262%0.61573%0.727SS**  trans-55.4123.8179.7177.7-4.1000111.5Y233N231-Y233 PolarHBondContact O-N 3.35Å; N231-Y233 VanDerWaalsContact O-N 3.16Å; N231-Y233 PolarHBondContact OD1-N 3.04Å; N231-Y233 VanDerWaalsContact OD1-N 3.12Å
232P43.4Very low41.5Very low120 Ų120137.1 Ų137.178%0.77972%0.719SS**THydrogen-bonded Turntrans-74.50.9-175.129.1-33.5000115
233Y40.1Very low43Very low201 Ų201135 Ų13579%0.78869%0.694SS**THydrogen-bonded Turntrans-106.218.2-178.5-86.9-81000115.8N231N231-Y233 PolarHBondContact O-N 3.35Å; N231-Y233 VanDerWaalsContact O-N 3.16Å; N231-Y233 PolarHBondContact OD1-N 3.04Å; N231-Y233 VanDerWaalsContact OD1-N 3.12Å
234C40.4Very low44.3Very low91 Ų91129 Ų12962%0.61568%0.679SS**  trans-109.377.9176.3-105.40000113
235S42Very low45.6Very low63 Ų63134.8 Ų134.844%0.44168%0.681SS.*  trans-69.2128.6164.3-52.40000109.5T237 L238S235-T237 PolarHBondContact O-N 3.29Å; S235-L238 PolarHBondContact O-N 3.16Å
236P50.4Low46.9Very low79 Ų79126.4 Ų126.451%0.51366%0.66SS.*Hα-helixtrans-53.7-23178.7-26.933.8000113.9R240P236-R240 PolarHBondContact O-N 3.44Å; P236-R240 VanDerWaalsContact O-N 3.17Å
237T50.3Low48.1Very low102 Ų102127.1 Ų127.163%0.62666%0.66SS**Hα-helixtrans-69.8-34.3178.7-250000113.2S235 K241S235-T237 PolarHBondContact O-N 3.29Å; T237-K241 PolarHBondContact O-N 3.44Å
238L49.2Very low49Very low123 Ų123127.8 Ų127.864%0.64465%0.654SS**Hα-helixtrans-72.6-38.1178.5-95.3154.3000111.5S235 K241 K242S235-L238 PolarHBondContact O-N 3.16Å; L238-K241 PolarHBondContact O-N 3.16Å; L238-K242 PolarHBondContact O-N 2.9Å
239V53.9Low49.5Very low88 Ų88121.4 Ų121.453%0.53364%0.637SS.*Hα-helixtrans-69-39.1176.3-170.60000110.9K241 K242 A243V239-K241 VanDerWaalsContact C-N 3.33Å; V239-K241 PolarHBondContact O-N 3.01Å; V239-K242 PolarHBondContact O-N 2.85Å; V239-A243 WeakPolarHBondContact O-CB 3.37Å; V239-A243 PolarHBondContact O-N 2.78Å; V239-A243 VanDerWaalsContact O-N 3.09Å
240R53.8Low50Low140 Ų140123.2 Ų123.253%0.52863%0.63SS.*Hα-helixtrans-54.7-45173-90-175.2177.5105.1-0.3112.5P236 I244P236-R240 PolarHBondContact O-N 3.44Å; P236-R240 VanDerWaalsContact O-N 3.17Å; R240-I244 WeakPolarHBondContact O-CB 3.42Å; R240-I244 VanDerWaalsContact O-CD1 3.26Å; R240-I244 WeakPolarHBondContact O-CD1 3.28Å; R240-I244 WeakPolarHBondContact O-CG1 3.22Å; R240-I244 PolarHBondContact O-N 2.88Å
241K55.1Low50.5Low149 Ų149126.4 Ų126.465%0.64864%0.643SS**Hα-helixtrans-73.1-33-174.6-153.9174.1-177.7177.60112.8T237 L238 V239 R245T237-K241 PolarHBondContact O-N 3.44Å; L238-K241 PolarHBondContact O-N 3.16Å; V239-K241 VanDerWaalsContact C-N 3.33Å; V239-K241 PolarHBondContact O-N 3.01Å; K241-R245 PolarHBondContact O-N 3.4Å
242K56Low51.1Low171 Ų171124 Ų12474%0.74365%0.646SS**Hα-helixtrans-75.7-39178.4-162.9169.8-177.4176.80112.4L238 V239 R245 S246L238-K242 PolarHBondContact O-N 2.9Å; V239-K242 PolarHBondContact O-N 2.85Å; K242-R245 PolarHBondContact O-N 3.05Å; K242-S246 PolarHBondContact O-N 3.49Å; K242-S246 PolarHBondContact O-OG 3.33Å
243A57.8Low51.1Low33 Ų33122.9 Ų122.927%0.27365%0.647SS.*Hα-helixtrans-70.2-34.1177.700000113.3V239 S246V239-A243 WeakPolarHBondContact O-CB 3.37Å; V239-A243 PolarHBondContact O-N 2.78Å; V239-A243 VanDerWaalsContact O-N 3.09Å; A243-S246 PolarHBondContact O-OG 2.85Å
244I58.3Low51.3Low117 Ų117121.9 Ų121.960%0.664%0.643SS**Hα-helixtrans-68.3-38.2174.7-67.5166.2000111R240 S246R240-I244 WeakPolarHBondContact O-CB 3.42Å; R240-I244 VanDerWaalsContact O-CD1 3.26Å; R240-I244 WeakPolarHBondContact O-CD1 3.28Å; R240-I244 WeakPolarHBondContact O-CG1 3.22Å; R240-I244 PolarHBondContact O-N 2.88Å; I244-S246 PolarHBondContact O-N 3.03Å
245R55.3Low51.7Low216 Ų216127.7 Ų127.782%0.81565%0.652SS**Hα-helixtrans-70.2-27.7178.2-89.4-173173.5-175.1-2.5113.9K241 K242K241-R245 PolarHBondContact O-N 3.4Å; K242-R245 PolarHBondContact O-N 3.05Å
246S59.2Low51.5Low69 Ų69127 Ų12748%0.48365%0.654SS.*THydrogen-bonded Turntrans-88.5-4.7-178.763.40000114.4K242 A243 I244 V248K242-S246 PolarHBondContact O-N 3.49Å; K242-S246 PolarHBondContact O-OG 3.33Å; A243-S246 PolarHBondContact O-OG 2.85Å; I244-S246 PolarHBondContact O-N 3.03Å; S246-V248 PolarHBondContact O-N 3.48Å
247K57Low51.2Low199 Ų199128.2 Ų128.287%0.86566%0.664SS**THydrogen-bonded Turntrans50.420.1-174.1-68.6-167.7177.4-176.90114.5I249K247-I249 PolarHBondContact O-N 2.74Å
248V53.4Low51.1Low114 Ų114128.6 Ų128.669%0.69167%0.666SS**  trans-97.575.4173-175.40000108S246S246-V248 PolarHBondContact O-N 3.48Å
249I48.8Very low50.8Low110 Ų110129.6 Ų129.656%0.56466%0.662SS**  trans-120.998.6163.6-54.1-172.7000106.9K247 S251K247-I249 PolarHBondContact O-N 2.74Å; I249-S251 PolarHBondContact O-N 2.95Å
250R50.8Low50.4Low227 Ų227131.2 Ų131.286%0.85766%0.664SS**  trans-72.5113.5159-74.6-175.3179.9171.50.2106.5G252R250-G252 PolarHBondContact O-N 3.02Å
251S46.3Very low49.8Very low127 Ų127127.9 Ų127.989%0.88866%0.659SS**THydrogen-bonded Turntrans-53.3104.9175.9-49.90000109.6I249I249-S251 PolarHBondContact O-N 2.95Å
252G51.1Low49Very low66 Ų66127.2 Ų127.268%0.6866%0.659SS**THydrogen-bonded Turntrans157.1-22.817800000115.9R250 Y254R250-G252 PolarHBondContact O-N 3.02Å; G252-Y254 VanDerWaalsContact C-N 3.29Å; G252-Y254 PolarHBondContact O-N 3.36Å
253A44.8Very low48.5Very low96 Ų96123 Ų12379%0.79364%0.644SS**SBendtrans-83.313.2-171.200000116.1
254Y44.4Very low47.8Very low179 Ų179126.5 Ų126.570%0.70265%0.654SS**  trans-124.939.2-176.7-128.9-90.4000113.3G252G252-Y254 VanDerWaalsContact C-N 3.29Å; G252-Y254 PolarHBondContact O-N 3.36Å
255R47.1Very low46.9Very low214 Ų214124.9 Ų124.981%0.80865%0.647SS**  trans-113.864.7162.6-67.9-88.7-170.7-170.5-0.3107.5
256G39.1Very low46.1Very low47 Ų47117.5 Ų117.549%0.48563%0.628SS.*  trans-78.1136.7172.900000109.8T258 Y259G256-T258 PolarHBondContact O-N 3Å; G256-Y259 PolarHBondContact O-N 3.49Å
257C44.5Very low45.3Very low106 Ų106116.6 Ų116.672%0.71663%0.625SS**THydrogen-bonded Turntrans-49.9-2.8-174.6-57.90000117.2T261C257-T261 WeakPolarHBondContact O-CB 3.43Å; C257-T261 PolarHBondContact O-N 2.9Å; C257-T261 PolarHBondContact O-OG1 3.11Å
258T48.1Very low44.7Very low109 Ų109113.2 Ų113.267%0.66961%0.606SS**Hα-helixtrans-78.9-30178.854.90000113G256 Q262G256-T258 PolarHBondContact O-N 3Å; T258-Q262 WeakPolarHBondContact O-CB 3.39Å; T258-Q262 PolarHBondContact O-N 3.14Å
259Y42.7Very low44Very low144 Ų144114.9 Ų114.957%0.56561%0.607SS**Hα-helixtrans-71.9-48.4-178.6-177.5-102.3000112.3G256 Q262 L263G256-Y259 PolarHBondContact O-N 3.49Å; Y259-Q262 PolarHBondContact O-N 3.33Å; Y259-L263 HydrophobicContact CD1-CD1 4.17Å; Y259-L263 HydrophobicContact CD2-CD1 4.43Å; Y259-L263 HydrophobicContact CE1-CD1 3.51Å; Y259-L263 HydrophobicContact CE2-CD1 3.8Å; Y259-L263 WeakPolarHBondContact O-CB 3.49Å; Y259-L263 PolarHBondContact O-N 2.9Å; Y259-L263 WeakPolarHBondContact OH-CD1 3.48Å
260E44.3Very low43.7Very low123 Ų123111.8 Ų111.858%0.57560%0.598SS**Hα-helixtrans-59.4-48.7174.2-76-74.6156.500111.1Q262 L263 Q264E260-Q262 VanDerWaalsContact C-N 3.33Å; E260-Q262 PolarHBondContact O-N 3.42Å; E260-L263 PolarHBondContact O-N 2.99Å; E260-L263 VanDerWaalsContact O-N 3.13Å; E260-Q264 PolarHBondContact O-N 3.19Å
261T42.3Very low43Very low70 Ų70102.9 Ų102.943%0.42957%0.565SS.*Hα-helixtrans-62.8-37.7178.4-48.70000112.1C257 L265C257-T261 WeakPolarHBondContact O-CB 3.43Å; C257-T261 PolarHBondContact O-N 2.9Å; C257-T261 PolarHBondContact O-OG1 3.11Å; T261-L265 HydrophobicContact CG2-CD1 4.11Å; T261-L265 VanDerWaalsContact O-CB 3.31Å; T261-L265 WeakPolarHBondContact O-CB 3.24Å; T261-L265 WeakPolarHBondContact O-CD1 3.29Å; T261-L265 WeakPolarHBondContact O-CG 3.36Å; T261-L265 PolarHBondContact O-N 3.38Å
262Q37.7Very low42.8Very low135 Ų13597.8 Ų97.863%0.63153%0.529SS*.Hα-helixtrans-74-28.4176.1-172174.76.200112.4T258 Y259 E260 S266T258-Q262 WeakPolarHBondContact O-CB 3.39Å; T258-Q262 PolarHBondContact O-N 3.14Å; Y259-Q262 PolarHBondContact O-N 3.33Å; E260-Q262 VanDerWaalsContact C-N 3.33Å; E260-Q262 PolarHBondContact O-N 3.42Å; Q262-S266 VanDerWaalsContact O-CB 3.26Å; Q262-S266 WeakPolarHBondContact O-CB 3.28Å; Q262-S266 PolarHBondContact O-N 2.89Å; Q262-S266 PolarHBondContact O-OG 2.93Å
263L44.9Very low42.3Very low82 Ų8299 Ų9943%0.42952%0.524SS..Hα-helixtrans-73.5-40.2171.7-128.6112.3000111.4Y259 E260 S266 A267Y259-L263 HydrophobicContact CD1-CD1 4.17Å; Y259-L263 HydrophobicContact CD2-CD1 4.43Å; Y259-L263 HydrophobicContact CE1-CD1 3.51Å; Y259-L263 HydrophobicContact CE2-CD1 3.8Å; Y259-L263 WeakPolarHBondContact O-CB 3.49Å; Y259-L263 PolarHBondContact O-N 2.9Å; Y259-L263 WeakPolarHBondContact OH-CD1 3.48Å; E260-L263 PolarHBondContact O-N 2.99Å; E260-L263 VanDerWaalsContact O-N 3.13Å; L263-S266 WeakPolarHBondContact CA-OG 3.45Å; L263-S266 PolarHBondContact O-N 3.25Å; L263-S266 PolarHBondContact O-OG 2.82Å; L263-S266 VanDerWaalsContact O-OG 3.12Å; L263-A267 WeakPolarHBondContact O-CB 3.49Å; L263-A267 PolarHBondContact O-N 3.23Å
264Q42.9Very low42.2Very low106 Ų10696.6 Ų96.650%0.49550%0.503SS..Hα-helixtrans-65-43.4173.1-104.8176.3-12.700111.5E260 R268E260-Q264 PolarHBondContact O-N 3.19Å; Q264-R268 WeakPolarHBondContact O-CB 3.48Å; Q264-R268 PolarHBondContact O-N 3.34Å
265L41.1Very low42.1Very low84 Ų8490.2 Ų90.244%0.4448%0.478SS..Hα-helixtrans-65.9-41.2175-74.7166.3000111.9T261 R268 E269T261-L265 HydrophobicContact CG2-CD1 4.11Å; T261-L265 VanDerWaalsContact O-CB 3.31Å; T261-L265 WeakPolarHBondContact O-CB 3.24Å; T261-L265 WeakPolarHBondContact O-CD1 3.29Å; T261-L265 WeakPolarHBondContact O-CG 3.36Å; T261-L265 PolarHBondContact O-N 3.38Å; L265-R268 CarbonylContact O-C 3.55Å; L265-R268 PolarHBondContact O-N 3.28Å; L265-E269 WeakPolarHBondContact O-CB 3.2Å; L265-E269 VanDerWaalsContact O-CG 3.31Å; L265-E269 WeakPolarHBondContact O-CG 3.44Å; L265-E269 PolarHBondContact O-N 3.49Å
266S37.6Very low41.7Very low61 Ų6185.8 Ų85.843%0.42747%0.466SS..Hα-helixtrans-71.8-34.6177.259.50000112.9Q262 L263 A270Q262-S266 VanDerWaalsContact O-CB 3.26Å; Q262-S266 WeakPolarHBondContact O-CB 3.28Å; Q262-S266 PolarHBondContact O-N 2.89Å; Q262-S266 PolarHBondContact O-OG 2.93Å; L263-S266 WeakPolarHBondContact CA-OG 3.45Å; L263-S266 PolarHBondContact O-N 3.25Å; L263-S266 PolarHBondContact O-OG 2.82Å; L263-S266 VanDerWaalsContact O-OG 3.12Å; S266-A270 WeakPolarHBondContact O-CB 3.28Å; S266-A270 PolarHBondContact O-N 3.49Å
267A42.5Very low41.6Very low50 Ų5087.2 Ų87.241%0.41347%0.474SS..Hα-helixtrans-62-4516800000110.7L263 A270 F271L263-A267 WeakPolarHBondContact O-CB 3.49Å; L263-A267 PolarHBondContact O-N 3.23Å; A267-A270 CarbonylContact O-C 3.58Å; A267-A270 PolarHBondContact O-N 3.08Å; A267-F271 VanDerWaalsContact O-CD2 3.3Å; A267-F271 WeakPolarHBondContact O-CD2 3.35Å; A267-F271 PolarHBondContact O-N 3.08Å; A267-F271 VanDerWaalsContact O-N 3.16Å
268R43.5Very low41.4Very low127 Ų12786.8 Ų86.848%0.47946%0.457SS..Hα-helixtrans-65.3-34.4177.7-168.5175.1173.6173.31.9113.8Q264 L265 F271Q264-R268 WeakPolarHBondContact O-CB 3.48Å; Q264-R268 PolarHBondContact O-N 3.34Å; L265-R268 CarbonylContact O-C 3.55Å; L265-R268 PolarHBondContact O-N 3.28Å; R268-F271 WeakPolarHBondContact O-CB 3.31Å
269E40.2Very low40.8Very low150 Ų15087 Ų8770%0.70146%0.46SS*.Hα-helixtrans-80.3-23.1174.7-74.5171.8179.800112.3L265 P272L265-E269 WeakPolarHBondContact O-CB 3.2Å; L265-E269 VanDerWaalsContact O-CG 3.31Å; L265-E269 WeakPolarHBondContact O-CG 3.44Å; L265-E269 PolarHBondContact O-N 3.49Å; E269-P272 WeakPolarHBondContact O-CD 3.39Å
270A40.9Very low40.7Very low45 Ų4591.2 Ų91.237%0.37248%0.475SS..SBendtrans-82.9-7.1171.700000113.7S266 A267 P272 T273 A274S266-A270 WeakPolarHBondContact O-CB 3.28Å; S266-A270 PolarHBondContact O-N 3.49Å; A267-A270 CarbonylContact O-C 3.58Å; A267-A270 PolarHBondContact O-N 3.08Å; A270-P272 VanDerWaalsContact C-N 3.35Å; A270-T273 CarbonylContact O-C 3.59Å; A270-T273 WeakPolarHBondContact O-CA 3.39Å; A270-T273 PolarHBondContact O-N 3.33Å; A270-A274 PolarHBondContact O-N 3.49Å
271F37.5Very low40.3Very low40 Ų4087.4 Ų87.418%0.17547%0.469CS..Hα-helixtrans-49.5-46.3176-102.8-108.7000113.1A267 R268 T273 A274 W275 E297 E370A267-F271 VanDerWaalsContact O-CD2 3.3Å; A267-F271 WeakPolarHBondContact O-CD2 3.35Å; A267-F271 PolarHBondContact O-N 3.08Å; A267-F271 VanDerWaalsContact O-N 3.16Å; R268-F271 WeakPolarHBondContact O-CB 3.31Å; F271-T273 PolarHBondContact O-N 2.82Å; F271-A274 PolarHBondContact O-N 3.16Å; F271-W275 PolarHBondContact O-N 3.15Å; F271-E297 HydrophobicContact CE1-CG 4.43Å; F271-E370 WeakPolarHBondContact CD1-OE1 3.4Å; F271-E370 WeakPolarHBondContact CE1-OE1 3.4Å
272P41.4Very low40Very low20 Ų2090 Ų9013%0.1349%0.487CS..Hα-helixtrans-66.1-21.9176.9-2134.3000113.7E269 A270 W275E269-P272 WeakPolarHBondContact O-CD 3.39Å; A270-P272 VanDerWaalsContact C-N 3.35Å; P272-W275 PolarHBondContact O-NE1 2.84Å
273T40.4Very low40.2Very low92 Ų9287.1 Ų87.156%0.56449%0.493SS*.Hα-helixtrans-92.8-28.3-179.3-32.40000110.8A270 F271 A277A270-T273 CarbonylContact O-C 3.59Å; A270-T273 WeakPolarHBondContact O-CA 3.39Å; A270-T273 PolarHBondContact O-N 3.33Å; F271-T273 PolarHBondContact O-N 2.82Å; T273-A277 WeakPolarHBondContact O-CB 3.28Å; T273-A277 PolarHBondContact O-N 2.96Å
274A43.3Very low40.3Very low44 Ų4486 Ų8636%0.36450%0.502SS..Hα-helixtrans-65-44.5176.400000111.6A270 F271 A277A270-A274 PolarHBondContact O-N 3.49Å; F271-A274 PolarHBondContact O-N 3.16Å; A274-A277 PolarHBondContact O-N 3.48Å
275W41.5Very low40.6Very low46 Ų4687.2 Ų87.217%0.17451%0.507CS..Hα-helixtrans-67.5-33.6177.881.5-83.6000113.8F271 P272 P326 W334F271-W275 PolarHBondContact O-N 3.15Å; P272-W275 PolarHBondContact O-NE1 2.84Å; W275-P326 HydrophobicContact CE3-CB 3.57Å; W275-P326 HydrophobicContact CE3-CG 4.02Å; W275-P326 HydrophobicContact CZ3-CB 3.52Å; W275-P326 HydrophobicContact CZ3-CG 4.34Å; W275-W334 HydrophobicContact CD2-CZ2 4.3Å; W275-W334 AromaticContact CE2-CZ2 3.77Å; W275-W334 AromaticContact CZ2-CZ2 3.94Å; W275-W334 HydrophobicContact CZ2-CZ2 3.94Å; W275-W334 AromaticContact NE1-CZ2 3.94Å
276E38.9Very low41.2Very low120 Ų12087.8 Ų87.856%0.56152%0.518SS*.Hα-helixtrans-78.1-29.2177.1-65.6-172.6-179.600112.7W278E276-W278 PolarHBondContact O-N 3.22Å
277A38.1Very low42.3Very low77 Ų7786.2 Ų86.264%0.63651%0.507SS*.THydrogen-bonded Turntrans-82.59.7177.500000113.8T273 A274T273-A277 WeakPolarHBondContact O-CB 3.28Å; T273-A277 PolarHBondContact O-N 2.96Å; A274-A277 PolarHBondContact O-N 3.48Å
278W40.5Very low43.7Very low97 Ų9784.3 Ų84.337%0.36749%0.49SS..  trans-54.8126.7177.5-93.357.2000111.1E276 R280 E297 A303E276-W278 PolarHBondContact O-N 3.22Å; W278-R280 PolarHBondContact O-N 3.09Å; W278-E297 HydrophobicContact CZ2-CB 4.49Å; W278-E297 PolarHBondContact NE1-OE2 3.26Å; W278-A303 HydrophobicContact CH2-CB 3.57Å; W278-A303 HydrophobicContact CZ3-CB 4.05Å
279P35.5Very low45.1Very low113 Ų11381.5 Ų81.573%0.73449%0.486SS*.  trans-67.7104165.825.6-27.6000108.1G281P279-G281 PolarHBondContact O-N 3.28Å
280R40.3Very low46.3Very low234 Ų23478.9 Ų78.988%0.88347%0.474SS*.  trans-68.855.4161.1-76.6-165-84.1-122-3.1110.3W278W278-R280 PolarHBondContact O-N 3.09Å
281G35.1Very low47.2Very low42 Ų4280 Ų8043%0.43348%0.479SS..SBendtrans-138.3157.5-173.600000113.1P279 G283P279-G281 PolarHBondContact O-N 3.28Å; G281-G283 VanDerWaalsContact C-N 3.26Å; G281-G283 PolarHBondContact O-N 3.11Å
282P36Very low48Very low125 Ų12581.4 Ų81.481%0.81249%0.486SS*.SBendtrans-82.414.6-157.9-4.122.3000115.1P157P157-P282 HydrophobicContact CB-CG 4.46Å; P157-P282 HydrophobicContact CG-CB 3.99Å; P157-P282 HydrophobicContact CG-CG 3.75Å
283G43.1Very low48.7Very low74 Ų7481.7 Ų81.776%0.76349%0.493SS*.  trans-153.3111.2-17000000113.7G281G281-G283 VanDerWaalsContact C-N 3.26Å; G281-G283 PolarHBondContact O-N 3.11Å
284G45.3Very low50.1Low59 Ų5979.8 Ų79.861%0.60848%0.483SS*.SBendtrans141.7102.4170.500000110
285H50Low51.9Low131 Ų13177.9 Ų77.961%0.60647%0.467SS*.  cis-149.912122.3-64.1-96.7000108.5C287H285-C287 PolarHBondContact O-N 2.98Å
286S53.5Low53.9Low96 Ų9676 Ų7667%0.67146%0.46SS*.SBendtrans-71.323.1167.2-46.10000112.5
287C61Low55.9Low29 Ų2971.6 Ų71.620%0.19644%0.44CS..SBendtrans-132.1136.1-171.1-178.20000108.5R22 H285 V289R22-C287 WeakPolarHBondContact CD-SG 3.49Å; R22-C287 PolarHBondContact NH1-SG 3.46Å; H285-C287 PolarHBondContact O-N 2.98Å; C287-V289 PolarHBondContact O-N 3.26Å
288L71.1Confident58.1Low10 Ų1069.2 Ų69.25%0.05242%0.416CS..  trans-65.2123.4168.8-163.769.5000108.4I24 F68 L137 R140 S141 L144I24-L288 HydrophobicContact CD1-CB 4.23Å; I24-L288 HydrophobicContact CD1-CD2 3.78Å; I24-L288 HydrophobicContact CD1-CG 3.64Å; I24-L288 HydrophobicContact CG1-CD2 4.25Å; F68-L288 HydrophobicContact CB-CD2 3.85Å; L137-L288 HydrophobicContact CD2-CD1 4.28Å; L137-L288 HydrophobicContact CD2-CD2 4.33Å; L137-L288 HydrophobicContact CD2-CG 4.17Å; R140-L288 HydrophobicContact CB-CD1 3.95Å; R140-L288 HydrophobicContact CG-CD1 4.02Å; S141-L288 WeakPolarHBondContact OG-CD1 3.49Å; L144-L288 HydrophobicContact CD1-CD1 4.33Å
289V74.5Confident60.4Low68 Ų6864.7 Ų64.741%0.41240%0.399SS..  trans-128143.9-178.7177.90000109C287C287-V289 PolarHBondContact O-N 3.26Å
290E64.4Low63Low95 Ų9560.1 Ų60.144%0.44437%0.368SS..  trans-98.527-167.5-154-172.7146.600114.5I24 K26 E292I24-E290 HydrophobicContact CD1-CB 4.02Å; I24-E290 HydrophobicContact CD1-CG 4.4Å; I24-E290 HydrophobicContact CG2-CG 4Å; I24-E290 WeakPolarHBondContact CG2-OE2 3.21Å; K26-E290 WeakPolarHBondContact CE-OE1 3.13Å; K26-E290 IonicContact NZ-OE1 2.85Å; K26-E290 PolarHBondContact NZ-OE1 3.26Å; E290-E292 PolarHBondContact O-N 3.38Å
291S60.8Low65.2Low67 Ų6750.1 Ų50.147%0.46934%0.335SS..  trans-86.2107.6178-179.20000110.1G293 S294 L295S291-G293 PolarHBondContact O-N 3.1Å; S291-S294 PolarHBondContact O-N 3.06Å; S291-L295 WeakPolarHBondContact O-CB 3.46Å; S291-L295 PolarHBondContact O-N 3.17Å
292E52.8Low67.5Low70 Ų7048.4 Ų48.433%0.32732%0.316SS..Hα-helixtrans-53.8-50.4-173.4-173.2177.2-155.700113.6I133 E290 S294 L295 T296I133-E292 HydrophobicContact CD1-CB 4.28Å; I133-E292 HydrophobicContact CD1-CG 4.41Å; E290-E292 PolarHBondContact O-N 3.38Å; E292-S294 PolarHBondContact O-N 3.35Å; E292-L295 WeakPolarHBondContact O-CB 3.32Å; E292-L295 PolarHBondContact O-N 2.91Å; E292-T296 PolarHBondContact O-N 3.43Å
293G56.1Low69.9Low26 Ų2642.9 Ų42.927%0.26828%0.28SS..Hα-helixtrans-61.9-40.3178.300000113S291 L295 E297S291-G293 PolarHBondContact O-N 3.1Å; G293-L295 VanDerWaalsContact C-N 3.32Å; G293-L295 PolarHBondContact O-N 3.1Å; G293-E297 WeakPolarHBondContact O-CG 3.43Å
294S69.5Low71.7Confident53 Ų5341.2 Ų41.237%0.37126%0.263SS..Hα-helixtrans-68.6-32.1173.4-174.50000111.9S291 E292 N298S291-S294 PolarHBondContact O-N 3.06Å; E292-S294 PolarHBondContact O-N 3.35Å; S294-N298 WeakPolarHBondContact O-CB 3.25Å; S294-N298 PolarHBondContact O-N 3.25Å; S294-N298 PolarHBondContact O-ND2 2.89Å; S294-N298 PolarHBondContact OG-ND2 2.93Å
295L81.3Confident73.7Confident3 Ų339 Ų392%0.01624%0.237CC..Hα-helixtrans-71.9-47.7-172.4-160.568.2000111.7I133 L136 L137 R140 S291 E292 G293 E297 N298 I299I133-L295 HydrophobicContact CD1-CD2 3.65Å; L136-L295 HydrophobicContact CB-CD2 3.36Å; L136-L295 HydrophobicContact CB-CG 3.75Å; L136-L295 HydrophobicContact CD1-CD2 4.39Å; L137-L295 HydrophobicContact CD2-CD2 4.01Å; L137-L295 HydrophobicContact CG-CD2 4.02Å; R140-L295 HydrophobicContact CB-CD1 3.74Å; R140-L295 HydrophobicContact CG-CD1 3.84Å; S291-L295 WeakPolarHBondContact O-CB 3.46Å; S291-L295 PolarHBondContact O-N 3.17Å; E292-L295 WeakPolarHBondContact O-CB 3.32Å; E292-L295 PolarHBondContact O-N 2.91Å; G293-L295 VanDerWaalsContact C-N 3.32Å; G293-L295 PolarHBondContact O-N 3.1Å; L295-E297 PolarHBondContact O-N 2.87Å; L295-N298 PolarHBondContact O-N 3.24Å; L295-I299 VanDerWaalsContact O-CG1 3.31Å; L295-I299 WeakPolarHBondContact O-CG1 3.46Å; L295-I299 PolarHBondContact O-N 3.43Å
296T85.1Confident75.5Confident6 Ų634.4 Ų34.44%0.03722%0.22CC..Hα-helixtrans-56.5-51.4177-58.90000111.2L136 E292 N298 I299 W300L136-T296 VanDerWaalsContact CD1-OG1 3.25Å; L136-T296 WeakPolarHBondContact CD1-OG1 3.45Å; E292-T296 PolarHBondContact O-N 3.43Å; T296-N298 VanDerWaalsContact C-N 3.31Å; T296-N298 PolarHBondContact O-N 3Å; T296-I299 PolarHBondContact O-N 3.22Å; T296-I299 VanDerWaalsContact O-N 3.12Å; T296-W300 HydrophobicContact CG2-CD2 3.68Å; T296-W300 VanDerWaalsContact CG2-CE2 3.49Å; T296-W300 HydrophobicContact CG2-CE3 3.86Å; T296-W300 HydrophobicContact CG2-CG 4.39Å; T296-W300 HydrophobicContact CG2-CH2 3.7Å; T296-W300 HydrophobicContact CG2-CZ2 3.52Å; T296-W300 HydrophobicContact CG2-CZ3 3.87Å; T296-W300 PolarHBondContact O-N 3.27Å
297E79.6Confident77.3Confident28 Ų2834.3 Ų34.313%0.13121%0.205CC..Hα-helixtrans-56.4-46.3176.7-67.2177.3-167.500111.4F271 W278 G293 L295 I299 W300 A301F271-E297 HydrophobicContact CE1-CG 4.43Å; W278-E297 HydrophobicContact CZ2-CB 4.49Å; W278-E297 PolarHBondContact NE1-OE2 3.26Å; G293-E297 WeakPolarHBondContact O-CG 3.43Å; L295-E297 PolarHBondContact O-N 2.87Å; E297-I299 VanDerWaalsContact C-N 3.28Å; E297-I299 PolarHBondContact O-N 3.45Å; E297-W300 PolarHBondContact O-N 3.16Å; E297-A301 VanDerWaalsContact O-CB 3.31Å; E297-A301 WeakPolarHBondContact O-CB 3.31Å; E297-A301 PolarHBondContact O-N 2.94Å
298N83.8Confident78.8Confident27 Ų2737.6 Ų37.614%0.14423%0.226CC..Hα-helixtrans-61.7-36.4179.3-77.4-42.9000112.7Q143 S294 L295 T296 F302 A303Q143-N298 PolarHBondContact OE1-O 3.23Å; S294-N298 WeakPolarHBondContact O-CB 3.25Å; S294-N298 PolarHBondContact O-N 3.25Å; S294-N298 PolarHBondContact O-ND2 2.89Å; S294-N298 PolarHBondContact OG-ND2 2.93Å; L295-N298 PolarHBondContact O-N 3.24Å; T296-N298 VanDerWaalsContact C-N 3.31Å; T296-N298 PolarHBondContact O-N 3Å; N298-F302 CarbonylContact O-C 3.49Å; N298-F302 VanDerWaalsContact O-CA 3.31Å; N298-F302 WeakPolarHBondContact O-CA 3.29Å; N298-F302 PolarHBondContact O-N 3.1Å; N298-F302 VanDerWaalsContact O-N 3.16Å; N298-A303 HydrophobicContact CB-CB 3.93Å; N298-A303 PolarHBondContact O-N 3.2Å; N298-A303 WeakPolarHBondContact OD1-CB 3.06Å
299I89.6Confident79.8Confident2 Ų237.7 Ų37.71%0.0123%0.227CC..Hα-helixtrans-74-47.4179.3-63.9-45.8000111.5L136 C139 R140 Q143 L295 T296 E297 F302 R391L136-I299 HydrophobicContact CB-CG1 4.43Å; L136-I299 HydrophobicContact CD2-CB 4.05Å; L136-I299 HydrophobicContact CD2-CG1 3.8Å; L136-I299 HydrophobicContact CD2-CG2 4.28Å; C139-I299 HydrophobicContact CB-CD1 3.84Å; C139-I299 HydrophobicContact CB-CG1 4.2Å; C139-I299 HydrophobicContact CB-CG2 4.07Å; R140-I299 VanDerWaalsContact CA-CD1 3.41Å; R140-I299 HydrophobicContact CB-CD1 3.65Å; R140-I299 HydrophobicContact CG-CD1 4.36Å; R140-I299 VanDerWaalsContact N-CD1 3.26Å; Q143-I299 PolarHBondContact NE2-O 2.89Å; Q143-I299 VanDerWaalsContact NE2-O 3.1Å; L295-I299 VanDerWaalsContact O-CG1 3.31Å; L295-I299 WeakPolarHBondContact O-CG1 3.46Å; L295-I299 PolarHBondContact O-N 3.43Å; T296-I299 PolarHBondContact O-N 3.22Å; T296-I299 VanDerWaalsContact O-N 3.12Å; E297-I299 VanDerWaalsContact C-N 3.28Å; E297-I299 PolarHBondContact O-N 3.45Å; I299-F302 PolarHBondContact O-N 2.87Å; I299-R391 PolarHBondContact O-NH1 2.9Å
300W90.2Very high80.7Confident18 Ų1834.6 Ų34.67%0.06821%0.208CC..Hα-helixtrans-68.3-37.4-177.1-67.5-6.7000112.3T296 E297 F302 F322 L323 L324 L369 E370 V373 M389T296-W300 HydrophobicContact CG2-CD2 3.68Å; T296-W300 VanDerWaalsContact CG2-CE2 3.49Å; T296-W300 HydrophobicContact CG2-CE3 3.86Å; T296-W300 HydrophobicContact CG2-CG 4.39Å; T296-W300 HydrophobicContact CG2-CH2 3.7Å; T296-W300 HydrophobicContact CG2-CZ2 3.52Å; T296-W300 HydrophobicContact CG2-CZ3 3.87Å; T296-W300 PolarHBondContact O-N 3.27Å; E297-W300 PolarHBondContact O-N 3.16Å; W300-F302 VanDerWaalsContact C-N 3.33Å; W300-F322 AromaticContact CD1-CE2 3.89Å; W300-F322 HydrophobicContact CD2-CE2 4.15Å; W300-F322 HydrophobicContact CG-CE2 4.04Å; W300-F322 AromaticContact NE1-CE2 3.92Å; W300-F322 AromaticContact NE1-CZ 3.76Å; W300-L323 CarbonylContact O-C 3.54Å; W300-L323 VanDerWaalsContact O-CA 3.22Å; W300-L323 WeakPolarHBondContact O-CA 3.31Å; W300-L323 VanDerWaalsContact O-CD2 3.28Å; W300-L323 WeakPolarHBondContact O-CD2 3.13Å; W300-L324 CarbonylContact C-O 3.48Å; W300-L324 HydrophobicContact CB-CB 4.18Å; W300-L324 HydrophobicContact CE3-CD2 3.91Å; W300-L324 HydrophobicContact CZ3-CD2 4.35Å; W300-L324 PolarHBondContact O-N 2.97Å; W300-L369 HydrophobicContact CZ3-CB 4.45Å; W300-E370 HydrophobicContact CH2-CB 4.19Å; W300-E370 HydrophobicContact CH2-CG 3.85Å; W300-E370 HydrophobicContact CZ3-CG 4.29Å; W300-V373 HydrophobicContact CH2-CB 4.25Å; W300-V373 HydrophobicContact CH2-CG1 4.49Å; W300-V373 HydrophobicContact CH2-CG2 4.08Å; W300-V373 HydrophobicContact CZ2-CB 4.43Å; W300-V373 HydrophobicContact CZ2-CG1 4.17Å; W300-V373 HydrophobicContact CZ2-CG2 4.4Å; W300-V373 HydrophobicContact CZ3-CG2 4.28Å; W300-M389 HydrophobicContact CZ2-CE 4.41Å
301A85.6Confident82.2Confident23 Ų2331.7 Ų31.719%0.1920%0.196CC..THydrogen-bonded Turntrans-84.7-7.3176.200000113.6E297 L324E297-A301 VanDerWaalsContact O-CB 3.31Å; E297-A301 WeakPolarHBondContact O-CB 3.31Å; E297-A301 PolarHBondContact O-N 2.94Å; A301-L324 VanDerWaalsContact CA-O 3.29Å; A301-L324 WeakPolarHBondContact CA-O 3.39Å; A301-L324 WeakPolarHBondContact CB-O 3.4Å; A301-L324 PolarHBondContact N-O 3.49Å
302F84.8Confident83.9Confident7 Ų730.5 Ų30.53%0.03119%0.19CC..THydrogen-bonded Turntrans47.461.4-166.2-153.6138.1000111.4Q143 Y146 N298 I299 W300 G304 I305 A310 L313 L323Q143-F302 HydrophobicContact CB-CD2 4.02Å; Q143-F302 HydrophobicContact CB-CE2 3.54Å; Q143-F302 HydrophobicContact CB-CZ 3.98Å; Q143-F302 HydrophobicContact CG-CD1 4.22Å; Q143-F302 HydrophobicContact CG-CD2 3.73Å; Q143-F302 HydrophobicContact CG-CE1 4Å; Q143-F302 HydrophobicContact CG-CE2 3.51Å; Q143-F302 HydrophobicContact CG-CG 4.1Å; Q143-F302 HydrophobicContact CG-CZ 3.66Å; Y146-F302 HydrophobicContact CD1-CZ 4.32Å; N298-F302 CarbonylContact O-C 3.49Å; N298-F302 VanDerWaalsContact O-CA 3.31Å; N298-F302 WeakPolarHBondContact O-CA 3.29Å; N298-F302 PolarHBondContact O-N 3.1Å; N298-F302 VanDerWaalsContact O-N 3.16Å; I299-F302 PolarHBondContact O-N 2.87Å; W300-F302 VanDerWaalsContact C-N 3.33Å; F302-G304 PolarHBondContact O-N 3.27Å; F302-I305 HydrophobicContact CB-CG2 3.75Å; F302-I305 HydrophobicContact CD1-CG2 4.36Å; F302-I305 HydrophobicContact CD2-CB 3.7Å; F302-I305 HydrophobicContact CD2-CD1 4.21Å; F302-I305 HydrophobicContact CD2-CG2 3.46Å; F302-I305 VanDerWaalsContact CD2-CG2 3.46Å; F302-I305 HydrophobicContact CE1-CD1 4.32Å; F302-I305 HydrophobicContact CE2-CB 3.95Å; F302-I305 HydrophobicContact CE2-CD1 3.79Å; F302-I305 HydrophobicContact CE2-CG1 4.41Å; F302-I305 HydrophobicContact CE2-CG2 4.09Å; F302-I305 HydrophobicContact CG-CB 4.35Å; F302-I305 HydrophobicContact CG-CG2 3.6Å; F302-I305 HydrophobicContact CZ-CD1 3.85Å; F302-I305 VanDerWaalsContact O-CG2 3.24Å; F302-I305 WeakPolarHBondContact O-CG2 3.24Å; F302-I305 PolarHBondContact O-N 3.02Å; F302-A310 HydrophobicContact CB-CB 4.45Å; F302-L313 HydrophobicContact CD1-CD1 4.39Å; F302-L313 HydrophobicContact CE1-CD1 3.45Å; F302-L313 VanDerWaalsContact CE1-CD1 3.45Å; F302-L313 HydrophobicContact CZ-CD1 3.65Å; F302-L323 HydrophobicContact CB-CD2 4.09Å
303A85Confident85.9Confident8 Ų828.3 Ų28.37%0.06618%0.18CC..THydrogen-bonded Turntrans-56.2126.5-172.700000113R140 W278 N298R140-A303 PolarHBondContact NH1-O 2.82Å; R140-A303 PolarHBondContact NH2-O 2.81Å; W278-A303 HydrophobicContact CH2-CB 3.57Å; W278-A303 HydrophobicContact CZ3-CB 4.05Å; N298-A303 HydrophobicContact CB-CB 3.93Å; N298-A303 PolarHBondContact O-N 3.2Å; N298-A303 WeakPolarHBondContact OD1-CB 3.06Å
304G82.1Confident87.8Confident40 Ų4027.1 Ų27.141%0.41217%0.168SC..THydrogen-bonded Turntrans99.8-7.8176.300000114.9R154 A155 F302R154-G304 WeakPolarHBondContact CA-O 3.35Å; A155-G304 PolarHBondContact N-O 3.43Å; F302-G304 PolarHBondContact O-N 3.27Å
305I86.3Confident89.1Confident12 Ų1231 Ų316%0.06218%0.175CC..BIsolated β-bridgetrans-99.3149.7174.6-152.3177.2000110.9Y146 L147 F302 C309 A310 L313Y146-I305 HydrophobicContact CD1-CD1 3.96Å; Y146-I305 HydrophobicContact CE1-CD1 3.63Å; L147-I305 HydrophobicContact CD2-CB 4.03Å; L147-I305 HydrophobicContact CD2-CG1 4.08Å; F302-I305 HydrophobicContact CB-CG2 3.75Å; F302-I305 HydrophobicContact CD1-CG2 4.36Å; F302-I305 HydrophobicContact CD2-CB 3.7Å; F302-I305 HydrophobicContact CD2-CD1 4.21Å; F302-I305 HydrophobicContact CD2-CG2 3.46Å; F302-I305 VanDerWaalsContact CD2-CG2 3.46Å; F302-I305 HydrophobicContact CE1-CD1 4.32Å; F302-I305 HydrophobicContact CE2-CB 3.95Å; F302-I305 HydrophobicContact CE2-CD1 3.79Å; F302-I305 HydrophobicContact CE2-CG1 4.41Å; F302-I305 HydrophobicContact CE2-CG2 4.09Å; F302-I305 HydrophobicContact CG-CB 4.35Å; F302-I305 HydrophobicContact CG-CG2 3.6Å; F302-I305 HydrophobicContact CZ-CD1 3.85Å; F302-I305 VanDerWaalsContact O-CG2 3.24Å; F302-I305 WeakPolarHBondContact O-CG2 3.24Å; F302-I305 PolarHBondContact O-N 3.02Å; I305-C309 HydrophobicContact CD1-CB 4.04Å; I305-C309 VanDerWaalsContact CD1-SG 3.55Å; I305-C309 HydrophobicContact CG1-CB 3.98Å; I305-A310 HydrophobicContact CG2-CB 3.56Å; I305-L313 HydrophobicContact CD1-CD1 3.52Å
306S89.4Confident89.7Confident34 Ų3440.7 Ų40.724%0.23821%0.211CC..  trans-66.7144.917366.60000111.7E153 C309 A310E153-S306 WeakPolarHBondContact O-CB 3.26Å; E153-S306 PolarHBondContact O-N 2.95Å; E153-S306 PolarHBondContact O-OG 3.12Å; S306-C309 PolarHBondContact O-N 3.2Å; S306-C309 VanDerWaalsContact O-N 3.1Å; S306-C309 VanDerWaalsContact OG-CB 3.25Å; S306-C309 WeakPolarHBondContact OG-CB 3.42Å; S306-A310 PolarHBondContact O-N 3.35Å
307R89.9Confident90.2Very high95 Ų9541 Ų4136%0.35821%0.212SC..Hα-helixtrans-56.1-43.9-179.1-174.1171.9176.9173.3-4.4113.5C309 A310 L311 W325 E327R307-C309 VanDerWaalsContact C-N 3.3Å; R307-C309 PolarHBondContact O-N 3.47Å; R307-A310 PolarHBondContact O-N 2.94Å; R307-L311 HydrophobicContact CG-CD1 4.3Å; R307-L311 WeakPolarHBondContact O-CG 3.29Å; R307-L311 PolarHBondContact O-N 3.33Å; R307-W325 HydrophobicContact CG-CH2 4.4Å; R307-W325 HydrophobicContact CG-CZ2 4.38Å; R307-W325 HydrophobicContact CG-CZ3 4.5Å; R307-E327 IonicContact CZ-OE1 2.66Å; R307-E327 IonicContact CZ-OE2 3.52Å; R307-E327 IonicContact NH1-OE1 3.78Å; R307-E327 PolarHBondContact NH1-OE1 3.37Å; R307-E327 IonicContact NH1-OE2 3.39Å; R307-E327 PolarHBondContact NH1-OE2 3.06Å; R307-E327 IonicContact NH2-OE1 3.05Å; R307-E327 PolarHBondContact NH2-OE1 3.21Å; R307-E327 IonicContact NH2-OE2 2.73Å
308P92.3Very high90.9Very high97 Ų9739.7 Ų39.763%0.6321%0.206SC*.Hα-helixtrans-60.1-39.1175.7-24.335.4000113.1A312P308-A312 PolarHBondContact O-N 2.94Å
309C93.3Very high91.4Very high13 Ų1340.4 Ų40.49%0.08821%0.21CC..Hα-helixtrans-71.7-42178.4-170.80000112.1E153 I305 S306 R307 L311 A312 L313E153-C309 HydrophobicContact CB-CB 4.29Å; E153-C309 PolarHBondContact OE2-SG 3.09Å; I305-C309 HydrophobicContact CD1-CB 4.04Å; I305-C309 VanDerWaalsContact CD1-SG 3.55Å; I305-C309 HydrophobicContact CG1-CB 3.98Å; S306-C309 PolarHBondContact O-N 3.2Å; S306-C309 VanDerWaalsContact O-N 3.1Å; S306-C309 VanDerWaalsContact OG-CB 3.25Å; S306-C309 WeakPolarHBondContact OG-CB 3.42Å; R307-C309 VanDerWaalsContact C-N 3.3Å; R307-C309 PolarHBondContact O-N 3.47Å; C309-L311 VanDerWaalsContact C-N 3.26Å; C309-L311 PolarHBondContact O-N 3.14Å; C309-A312 WeakPolarHBondContact O-CB 3.33Å; C309-A312 PolarHBondContact O-N 3.21Å; C309-L313 WeakPolarHBondContact O-CG 3.39Å; C309-L313 PolarHBondContact O-N 2.57Å
310A93.8Very high91.6Very high2 Ų240.4 Ų40.42%0.01721%0.21CC..Hα-helixtrans-55.2-45.1174.300000111.1F302 I305 S306 R307 L313 L314 L323F302-A310 HydrophobicContact CB-CB 4.45Å; I305-A310 HydrophobicContact CG2-CB 3.56Å; S306-A310 PolarHBondContact O-N 3.35Å; R307-A310 PolarHBondContact O-N 2.94Å; A310-L313 PolarHBondContact O-N 3.39Å; A310-L314 WeakPolarHBondContact O-CB 2.89Å; A310-L314 PolarHBondContact O-N 2.81Å; A310-L323 HydrophobicContact CB-CD1 3.67Å; A310-L323 WeakPolarHBondContact O-CD1 3.5Å
311L95.3Very high91.8Very high34 Ų3439.5 Ų39.518%0.17821%0.207CC..Hα-helixtrans-64.8-36.8175.8-76.4169.2000112.8R307 C309 L314 R315 W325 V344R307-L311 HydrophobicContact CG-CD1 4.3Å; R307-L311 WeakPolarHBondContact O-CG 3.29Å; R307-L311 PolarHBondContact O-N 3.33Å; C309-L311 VanDerWaalsContact C-N 3.26Å; C309-L311 PolarHBondContact O-N 3.14Å; L311-L314 PolarHBondContact O-N 3.34Å; L311-R315 WeakPolarHBondContact O-CG 3.49Å; L311-R315 PolarHBondContact O-N 3.33Å; L311-R315 VanDerWaalsContact O-N 3.1Å; L311-W325 HydrophobicContact CD1-CH2 4.36Å; L311-W325 HydrophobicContact CD2-CH2 3.54Å; L311-W325 HydrophobicContact CD2-CZ2 4.22Å; L311-W325 HydrophobicContact CG-CH2 3.78Å; L311-V344 HydrophobicContact CD2-CG1 3.7Å
312A95.8Very high92.3Very high43 Ų4338.8 Ų38.836%0.35520%0.199SC..Hα-helixtrans-65.3-41.2175.200000112P308 C309 R315P308-A312 PolarHBondContact O-N 2.94Å; C309-A312 WeakPolarHBondContact O-CB 3.33Å; C309-A312 PolarHBondContact O-N 3.21Å; A312-R315 PolarHBondContact O-N 3.28Å
313L95.8Very high92.8Very high23 Ų2338.5 Ų38.512%0.1220%0.198CC..Hα-helixtrans-65.1-43.7173.4-67.3179000111.5Y146 F302 I305 C309 A310 R315 R316 D317 P394Y146-L313 HydrophobicContact CD1-CD1 4.12Å; Y146-L313 HydrophobicContact CE1-CD1 3.74Å; Y146-L313 HydrophobicContact CE2-CD1 4.18Å; Y146-L313 HydrophobicContact CE2-CD2 3.81Å; Y146-L313 HydrophobicContact CG-CD1 4.5Å; F302-L313 HydrophobicContact CD1-CD1 4.39Å; F302-L313 HydrophobicContact CE1-CD1 3.45Å; F302-L313 VanDerWaalsContact CE1-CD1 3.45Å; F302-L313 HydrophobicContact CZ-CD1 3.65Å; I305-L313 HydrophobicContact CD1-CD1 3.52Å; C309-L313 WeakPolarHBondContact O-CG 3.39Å; C309-L313 PolarHBondContact O-N 2.57Å; A310-L313 PolarHBondContact O-N 3.39Å; L313-R315 VanDerWaalsContact C-N 3.26Å; L313-R315 PolarHBondContact O-N 3.42Å; L313-R316 PolarHBondContact O-N 3.45Å; L313-D317 PolarHBondContact O-N 2.99Å; L313-P394 HydrophobicContact CD1-CB 4.5Å; L313-P394 HydrophobicContact CD2-CB 3.82Å
314L96.3Very high93.2Very high2 Ų238.7 Ų38.71%0.0120%0.198CC..Hα-helixtrans-59.7-34.7178-176.261.8000112.9A310 L311 R316 D317 A321 L323 S337 R339 V344A310-L314 WeakPolarHBondContact O-CB 2.89Å; A310-L314 PolarHBondContact O-N 2.81Å; L311-L314 PolarHBondContact O-N 3.34Å; L314-R316 PolarHBondContact O-N 3.13Å; L314-D317 HydrophobicContact CD1-CB 4.32Å; L314-D317 WeakPolarHBondContact O-CB 3.45Å; L314-D317 PolarHBondContact O-N 3.16Å; L314-D317 VanDerWaalsContact O-N 3.14Å; L314-A321 HydrophobicContact CD1-CB 3.92Å; L314-A321 WeakPolarHBondContact CD1-O 3.48Å; L314-L323 HydrophobicContact CB-CD1 4.02Å; L314-L323 HydrophobicContact CD1-CG 4.41Å; L314-L323 HydrophobicContact CD2-CB 4.37Å; L314-L323 HydrophobicContact CD2-CD1 4.08Å; L314-L323 HydrophobicContact CD2-CG 4.06Å; L314-S337 WeakPolarHBondContact CD2-O 3.48Å; L314-R339 HydrophobicContact CD1-CB 4.15Å; L314-R339 HydrophobicContact CG-CB 4.28Å; L314-V344 HydrophobicContact CB-CG2 4.32Å; L314-V344 HydrophobicContact CD2-CG1 3.72Å; L314-V344 HydrophobicContact CD2-CG2 4.07Å; L314-V344 HydrophobicContact CG-CG2 3.95Å
315R95.9Very high93.5Very high135 Ų13537.7 Ų37.751%0.50918%0.182SC..Hα-helixtrans-60.3-29.3174.7-74.3175.7-172.3106.5-1.6113L311 A312 L313 R339 V344L311-R315 WeakPolarHBondContact O-CG 3.49Å; L311-R315 PolarHBondContact O-N 3.33Å; L311-R315 VanDerWaalsContact O-N 3.1Å; A312-R315 PolarHBondContact O-N 3.28Å; L313-R315 VanDerWaalsContact C-N 3.26Å; L313-R315 PolarHBondContact O-N 3.42Å; R315-R339 PolarHBondContact O-NE 3.05Å; R315-V344 HydrophobicContact CB-CG2 4.36Å; R315-V344 HydrophobicContact CG-CB 4.45Å; R315-V344 HydrophobicContact CG-CG2 3.52Å
316R93.8Very high93.4Very high205 Ų20539.8 Ų39.877%0.77420%0.196SC*.THydrogen-bonded Turntrans-94.6-5.9-179.7-56.8176.473177.52.1112.7L313 L314 L392L313-R316 PolarHBondContact O-N 3.45Å; L314-R316 PolarHBondContact O-N 3.13Å; R316-L392 VanDerWaalsContact O-CD1 3.29Å; R316-L392 WeakPolarHBondContact O-CD1 3.42Å
317D95Very high93.2Very high13 Ų1340 Ų407%0.0719%0.194CC..SBendtrans-79.9177.5179-145.3-21.4000111.1L313 L314 A321 R391 L392L313-D317 PolarHBondContact O-N 2.99Å; L314-D317 HydrophobicContact CD1-CB 4.32Å; L314-D317 WeakPolarHBondContact O-CB 3.45Å; L314-D317 PolarHBondContact O-N 3.16Å; L314-D317 VanDerWaalsContact O-N 3.14Å; D317-A321 HydrophobicContact CB-CB 3.79Å; D317-R391 IonicContact OD2-NE 2.57Å; D317-R391 PolarHBondContact OD2-NE 2.85Å; D317-R391 VanDerWaalsContact OD2-NE 3.07Å; D317-L392 PolarHBondContact OD1-N 3.29Å
318V94.2Very high92.6Very high0 Ų040.8 Ų40.80%021%0.211CC..  trans-67.4156.8-179.1-58.10000112.7T41 V45 Y94 A321 R339 D388 L392T41-V318 HydrophobicContact CG2-CG1 4.22Å; V45-V318 HydrophobicContact CG2-CB 4.41Å; V45-V318 HydrophobicContact CG2-CG1 3.56Å; Y94-V318 HydrophobicContact CD2-CG1 4.31Å; Y94-V318 HydrophobicContact CE2-CG1 3.89Å; Y94-V318 HydrophobicContact CE2-CG2 4.34Å; V318-A321 HydrophobicContact CG2-CB 3.9Å; V318-A321 WeakPolarHBondContact O-CB 3.29Å; V318-A321 PolarHBondContact O-N 2.73Å; V318-A321 VanDerWaalsContact O-N 3.09Å; V318-R339 WeakPolarHBondContact O-CB 3.42Å; V318-R339 VanDerWaalsContact O-CG 3.29Å; V318-R339 WeakPolarHBondContact O-CG 3.31Å; V318-D388 HydrophobicContact CG2-CB 4.19Å; V318-L392 HydrophobicContact CG1-CD1 4.23Å; V318-L392 HydrophobicContact CG1-CD2 4.19Å; V318-L392 HydrophobicContact CG1-CG 3.93Å
319L94Very high91.4Very high43 Ų4340.7 Ų40.723%0.22523%0.227CC..THydrogen-bonded Turntrans-60141.5170.2-64.7175.6000109.7Q42 A321 R339 Q341 D388Q42-L319 HydrophobicContact CG-CD1 4.05Å; Q42-L319 HydrophobicContact CG-CG 4.08Å; Q42-L319 VanDerWaalsContact OE1-CB 3.25Å; Q42-L319 VanDerWaalsContact OE1-N 3.16Å; L319-A321 PolarHBondContact O-N 3.39Å; L319-R339 HydrophobicContact CD2-CG 4.41Å; L319-Q341 HydrophobicContact CD1-CG 4.04Å; L319-Q341 HydrophobicContact CD2-CG 4.27Å; L319-D388 WeakPolarHBondContact O-CB 3.34Å
320G94Very high90.2Very high1 Ų141.5 Ų41.51%0.0124%0.235CC..THydrogen-bonded Turntrans80.3-15.5-173.700000114.5R339 P386 L387 D388G320-R339 PolarHBondContact N-O 3.47Å; G320-P386 WeakPolarHBondContact CA-O 3.38Å; G320-L387 WeakPolarHBondContact O-CA 3.49Å; G320-D388 VanDerWaalsContact C-N 3.28Å; G320-D388 PolarHBondContact O-N 2.99Å
321A95.4Very high89.1Confident0 Ų046.6 Ų46.60%027%0.271CS..  trans-57.4146.6173.500000110L314 D317 V318 L319 R339L314-A321 HydrophobicContact CD1-CB 3.92Å; L314-A321 WeakPolarHBondContact CD1-O 3.48Å; D317-A321 HydrophobicContact CB-CB 3.79Å; V318-A321 HydrophobicContact CG2-CB 3.9Å; V318-A321 WeakPolarHBondContact O-CB 3.29Å; V318-A321 PolarHBondContact O-N 2.73Å; V318-A321 VanDerWaalsContact O-N 3.09Å; L319-A321 PolarHBondContact O-N 3.39Å; A321-R339 HydrophobicContact CB-CB 4.45Å; A321-R339 PolarHBondContact O-N 2.84Å
322F95.9Very high88.2Confident7 Ų745.5 Ų45.53%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-144.5162.8-173.466.5-85.6000113.5W300 L336 S337 V338 V373 L387 M389W300-F322 AromaticContact CD1-CE2 3.89Å; W300-F322 HydrophobicContact CD2-CE2 4.15Å; W300-F322 HydrophobicContact CG-CE2 4.04Å; W300-F322 AromaticContact NE1-CE2 3.92Å; W300-F322 AromaticContact NE1-CZ 3.76Å; F322-L336 HydrophobicContact CB-CD1 3.95Å; F322-L336 HydrophobicContact CD2-CD1 3.66Å; F322-L336 HydrophobicContact CG-CD1 4.07Å; F322-S337 CarbonylContact C-O 3.49Å; F322-S337 WeakPolarHBondContact CA-O 3.31Å; F322-S337 WeakPolarHBondContact CB-O 3.16Å; F322-V338 HydrophobicContact CB-CG2 4.22Å; F322-V373 HydrophobicContact CE1-CG1 4.04Å; F322-V373 HydrophobicContact CE2-CG1 4.14Å; F322-V373 HydrophobicContact CE2-CG2 4.11Å; F322-V373 HydrophobicContact CZ-CG1 3.49Å; F322-V373 VanDerWaalsContact CZ-CG1 3.49Å; F322-V373 HydrophobicContact CZ-CG2 4.31Å; F322-L387 HydrophobicContact CB-CD2 4.1Å; F322-L387 HydrophobicContact CD1-CB 4.06Å; F322-L387 HydrophobicContact CD1-CD1 4.4Å; F322-L387 HydrophobicContact CD1-CD2 4.04Å; F322-L387 HydrophobicContact CD1-CG 4.39Å; F322-L387 HydrophobicContact CE1-CB 4.22Å; F322-L387 HydrophobicContact CG-CD2 4.2Å; F322-M389 HydrophobicContact CE1-SD 3.76Å; F322-M389 HydrophobicContact CZ-SD 3.9Å
323L95.5Very high87.9Confident1 Ų146.7 Ų46.71%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-130.4144.4168.1-64.7173.5000109.4W300 F302 A310 L314 W325 L336 S337W300-L323 CarbonylContact O-C 3.54Å; W300-L323 VanDerWaalsContact O-CA 3.22Å; W300-L323 WeakPolarHBondContact O-CA 3.31Å; W300-L323 VanDerWaalsContact O-CD2 3.28Å; W300-L323 WeakPolarHBondContact O-CD2 3.13Å; F302-L323 HydrophobicContact CB-CD2 4.09Å; A310-L323 HydrophobicContact CB-CD1 3.67Å; A310-L323 WeakPolarHBondContact O-CD1 3.5Å; L314-L323 HydrophobicContact CB-CD1 4.02Å; L314-L323 HydrophobicContact CD1-CG 4.41Å; L314-L323 HydrophobicContact CD2-CB 4.37Å; L314-L323 HydrophobicContact CD2-CD1 4.08Å; L314-L323 HydrophobicContact CD2-CG 4.06Å; L323-W325 HydrophobicContact CB-CE3 3.9Å; L323-W325 HydrophobicContact CB-CH2 4.12Å; L323-W325 HydrophobicContact CB-CZ3 3.42Å; L323-W325 VanDerWaalsContact CB-CZ3 3.42Å; L323-W325 HydrophobicContact CD1-CH2 4.4Å; L323-W325 HydrophobicContact CD1-CZ3 3.68Å; L323-W325 HydrophobicContact CG-CZ3 4.19Å; L323-L336 CarbonylContact O-C 3.56Å; L323-L336 WeakPolarHBondContact O-CA 3.35Å; L323-S337 PolarHBondContact N-O 3.01Å; L323-S337 PolarHBondContact O-N 2.75Å
324L93.2Very high87.7Confident13 Ų1346 Ų467%0.06826%0.261CS..EExtended strand (participates in β ladder)trans-131.4120.2179.9-176.468.4000109.2W300 A301 W334 L336 V349 L369W300-L324 CarbonylContact C-O 3.48Å; W300-L324 HydrophobicContact CB-CB 4.18Å; W300-L324 HydrophobicContact CE3-CD2 3.91Å; W300-L324 HydrophobicContact CZ3-CD2 4.35Å; W300-L324 PolarHBondContact O-N 2.97Å; A301-L324 VanDerWaalsContact CA-O 3.29Å; A301-L324 WeakPolarHBondContact CA-O 3.39Å; A301-L324 WeakPolarHBondContact CB-O 3.4Å; A301-L324 PolarHBondContact N-O 3.49Å; L324-W334 HydrophobicContact CD1-CB 3.85Å; L324-L336 HydrophobicContact CB-CD1 4.44Å; L324-L336 HydrophobicContact CD1-CB 4Å; L324-L336 HydrophobicContact CD1-CD1 4.26Å; L324-V349 HydrophobicContact CD1-CG2 4.49Å; L324-L369 HydrophobicContact CD2-CB 4.22Å; L324-L369 HydrophobicContact CD2-CD1 3.97Å; L324-L369 HydrophobicContact CD2-CD2 4.11Å; L324-L369 HydrophobicContact CD2-CG 4.31Å
325W88.4Confident87.5Confident18 Ų1846 Ų467%0.06826%0.262CS..EExtended strand (participates in β ladder)trans-135.215217847.165.1000111.3R307 L311 L323 W334 C335 S337R307-W325 HydrophobicContact CG-CH2 4.4Å; R307-W325 HydrophobicContact CG-CZ2 4.38Å; R307-W325 HydrophobicContact CG-CZ3 4.5Å; L311-W325 HydrophobicContact CD1-CH2 4.36Å; L311-W325 HydrophobicContact CD2-CH2 3.54Å; L311-W325 HydrophobicContact CD2-CZ2 4.22Å; L311-W325 HydrophobicContact CG-CH2 3.78Å; L323-W325 HydrophobicContact CB-CE3 3.9Å; L323-W325 HydrophobicContact CB-CH2 4.12Å; L323-W325 HydrophobicContact CB-CZ3 3.42Å; L323-W325 VanDerWaalsContact CB-CZ3 3.42Å; L323-W325 HydrophobicContact CD1-CH2 4.4Å; L323-W325 HydrophobicContact CD1-CZ3 3.68Å; L323-W325 HydrophobicContact CG-CZ3 4.19Å; W325-W334 CarbonylContact O-C 3.6Å; W325-W334 WeakPolarHBondContact O-CA 3.25Å; W325-W334 VanDerWaalsContact O-CB 3.31Å; W325-W334 WeakPolarHBondContact O-CB 3.05Å; W325-C335 PolarHBondContact N-O 2.76Å; W325-C335 PolarHBondContact NE1-SG 2.84Å; W325-C335 VanDerWaalsContact NE1-SG 3.43Å; W325-C335 PolarHBondContact O-N 3.47Å; W325-S337 WeakPolarHBondContact CH2-OG 3.48Å; W325-S337 WeakPolarHBondContact CZ2-OG 3.47Å
326P85.1Confident87.4Confident57 Ų5739.6 Ų39.637%0.3724%0.238SC..EExtended strand (participates in β ladder)trans-67.8141.7169.429.4-33.8000110.6W275 Q333W275-P326 HydrophobicContact CE3-CB 3.57Å; W275-P326 HydrophobicContact CE3-CG 4.02Å; W275-P326 HydrophobicContact CZ3-CB 3.52Å; W275-P326 HydrophobicContact CZ3-CG 4.34Å; P326-Q333 WeakPolarHBondContact CA-O 3.32Å
327E83.4Confident87.5Confident38 Ų3830 Ų3018%0.17820%0.202CC..PPolyproline II helixtrans-81.4140.1174.2-77-65.8173.500111.4R307 G329 Q333 C335R307-E327 IonicContact CZ-OE1 2.66Å; R307-E327 IonicContact CZ-OE2 3.52Å; R307-E327 IonicContact NH1-OE1 3.78Å; R307-E327 PolarHBondContact NH1-OE1 3.37Å; R307-E327 IonicContact NH1-OE2 3.39Å; R307-E327 PolarHBondContact NH1-OE2 3.06Å; R307-E327 IonicContact NH2-OE1 3.05Å; R307-E327 PolarHBondContact NH2-OE1 3.21Å; R307-E327 IonicContact NH2-OE2 2.73Å; E327-G329 PolarHBondContact O-N 2.71Å; E327-Q333 HydrophobicContact CB-CB 4.32Å; E327-Q333 PolarHBondContact N-O 2.91Å; E327-C335 HydrophobicContact CG-CB 3.87Å; E327-C335 WeakPolarHBondContact OE1-CB 3.35Å
328P77Confident87.5Confident111 Ų11129.3 Ų29.372%0.72120%0.198SC*.THydrogen-bonded Turntrans-64.1134.1176.5-18.130.8000111.8A330P328-A330 PolarHBondContact O-N 3.28Å
329G68.4Low87.6Confident95 Ų9532.1 Ų32.198%0.97921%0.209SC*.THydrogen-bonded Turntrans90.9-11.8165.900000116.5E327E327-G329 PolarHBondContact O-N 2.71Å
330A68.2Low87.6Confident31 Ų3130.1 Ų30.126%0.25620%0.199SC..SBendtrans-120.8119.1174.900000111.3P328 G332 Q333P328-A330 PolarHBondContact O-N 3.28Å; A330-G332 PolarHBondContact O-N 2.86Å; A330-Q333 HydrophobicContact CB-CB 4.12Å; A330-Q333 VanDerWaalsContact CB-CD 3.48Å; A330-Q333 HydrophobicContact CB-CG 3.77Å
331S69.6Low87.4Confident108 Ų10838.2 Ų38.276%0.75524%0.236SC*.THydrogen-bonded Turntrans-65.2124.6173.557.70000109.8
332G77Confident87.2Confident11 Ų1143.9 Ų43.911%0.11327%0.274CS..THydrogen-bonded Turntrans81.627.8176.100000115.3A330 W334 R351A330-G332 PolarHBondContact O-N 2.86Å; G332-W334 VanDerWaalsContact CA-CH2 3.48Å; G332-W334 WeakPolarHBondContact O-CZ3 3.46Å; G332-R351 PolarHBondContact O-N 3.35Å
333Q88.7Confident87.1Confident68 Ų6844.6 Ų44.632%0.31828%0.284SS..EExtended strand (participates in β ladder)trans-119.8137.6169.2-61.6-169-10.100110.8P326 E327 A330 V349 F350P326-Q333 WeakPolarHBondContact CA-O 3.32Å; E327-Q333 HydrophobicContact CB-CB 4.32Å; E327-Q333 PolarHBondContact N-O 2.91Å; A330-Q333 HydrophobicContact CB-CB 4.12Å; A330-Q333 VanDerWaalsContact CB-CD 3.48Å; A330-Q333 HydrophobicContact CB-CG 3.77Å; Q333-V349 WeakPolarHBondContact CA-O 3.44Å; Q333-F350 HydrophobicContact CG-CD1 3.77Å; Q333-F350 HydrophobicContact CG-CE1 4.16Å
334W91.8Very high87.1Confident8 Ų846 Ų463%0.0329%0.293CS..EExtended strand (participates in β ladder)trans-130.7156.5174.4-57.9-103.2000109.3W275 L324 W325 G332 Q348 V349 R351 Y357 L369W275-W334 HydrophobicContact CD2-CZ2 4.3Å; W275-W334 AromaticContact CE2-CZ2 3.77Å; W275-W334 AromaticContact CZ2-CZ2 3.94Å; W275-W334 HydrophobicContact CZ2-CZ2 3.94Å; W275-W334 AromaticContact NE1-CZ2 3.94Å; L324-W334 HydrophobicContact CD1-CB 3.85Å; W325-W334 CarbonylContact O-C 3.6Å; W325-W334 WeakPolarHBondContact O-CA 3.25Å; W325-W334 VanDerWaalsContact O-CB 3.31Å; W325-W334 WeakPolarHBondContact O-CB 3.05Å; G332-W334 VanDerWaalsContact CA-CH2 3.48Å; G332-W334 WeakPolarHBondContact O-CZ3 3.46Å; W334-Q348 PolarHBondContact O-OE1 2.99Å; W334-V349 HydrophobicContact CB-CB 4.18Å; W334-V349 HydrophobicContact CE3-CG1 4.42Å; W334-V349 PolarHBondContact N-O 3.46Å; W334-V349 PolarHBondContact O-N 2.65Å; W334-R351 HydrophobicContact CH2-CB 4.05Å; W334-R351 HydrophobicContact CZ3-CB 3.79Å; W334-Y357 HydrophobicContact CE3-CD1 4.21Å; W334-Y357 HydrophobicContact CE3-CE1 4.09Å; W334-Y357 HydrophobicContact CH2-CD1 4.22Å; W334-Y357 AromaticContact CH2-CE1 3.4Å; W334-Y357 HydrophobicContact CH2-CE1 3.4Å; W334-Y357 AromaticContact CZ2-CE1 3.95Å; W334-Y357 HydrophobicContact CZ2-CE1 3.95Å; W334-Y357 AromaticContact CZ3-CD1 3.81Å; W334-Y357 HydrophobicContact CZ3-CD1 3.81Å; W334-Y357 AromaticContact CZ3-CE1 3.46Å; W334-Y357 HydrophobicContact CZ3-CE1 3.46Å; W334-Y357 VanDerWaalsContact CZ3-CE1 3.46Å; W334-L369 HydrophobicContact CD2-CD1 4.37Å
335C93Very high87.1Confident2 Ų247 Ų471%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-117.3122.1171.1164.10000109.1W325 E327 H347W325-C335 PolarHBondContact N-O 2.76Å; W325-C335 PolarHBondContact NE1-SG 2.84Å; W325-C335 VanDerWaalsContact NE1-SG 3.43Å; W325-C335 PolarHBondContact O-N 3.47Å; E327-C335 HydrophobicContact CG-CB 3.87Å; E327-C335 WeakPolarHBondContact OE1-CB 3.35Å; C335-H347 WeakPolarHBondContact CA-O 3.45Å
336L94.6Very high87.4Confident1 Ų149.9 Ų49.91%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-94.8105.8174.1176.966.6000107.9F322 L323 L324 V338 P346 H347 V349 L359 L372 L383 L387F322-L336 HydrophobicContact CB-CD1 3.95Å; F322-L336 HydrophobicContact CD2-CD1 3.66Å; F322-L336 HydrophobicContact CG-CD1 4.07Å; L323-L336 CarbonylContact O-C 3.56Å; L323-L336 WeakPolarHBondContact O-CA 3.35Å; L324-L336 HydrophobicContact CB-CD1 4.44Å; L324-L336 HydrophobicContact CD1-CB 4Å; L324-L336 HydrophobicContact CD1-CD1 4.26Å; L336-V338 HydrophobicContact CD1-CG2 4.41Å; L336-V338 HydrophobicContact CD2-CG2 4.17Å; L336-V338 HydrophobicContact CG-CG2 3.85Å; L336-P346 CarbonylContact O-C 3.54Å; L336-H347 HydrophobicContact CB-CB 4.41Å; L336-H347 PolarHBondContact N-O 2.81Å; L336-H347 PolarHBondContact O-N 2.96Å; L336-V349 HydrophobicContact CB-CG2 3.98Å; L336-L359 HydrophobicContact CD2-CD2 4.13Å; L336-L372 HydrophobicContact CD2-CD2 4.48Å; L336-L383 HydrophobicContact CD2-CD1 4.13Å; L336-L387 HydrophobicContact CD2-CD1 4.43Å
337S95.4Very high87.7Confident3 Ų348.5 Ų48.52%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-95.9123.6174.2-69.20000110.1L314 F322 L323 W325 V345L314-S337 WeakPolarHBondContact CD2-O 3.48Å; F322-S337 CarbonylContact C-O 3.49Å; F322-S337 WeakPolarHBondContact CA-O 3.31Å; F322-S337 WeakPolarHBondContact CB-O 3.16Å; L323-S337 PolarHBondContact N-O 3.01Å; L323-S337 PolarHBondContact O-N 2.75Å; W325-S337 WeakPolarHBondContact CH2-OG 3.48Å; W325-S337 WeakPolarHBondContact CZ2-OG 3.47Å; S337-V345 WeakPolarHBondContact CA-O 3.01Å
338V95.6Very high88.2Confident0 Ų049 Ų490%031%0.311CS..EExtended strand (participates in β ladder)trans-118.4134.8-174.8-172.40000110.4F322 L336 T340 V344 V345 L387F322-V338 HydrophobicContact CB-CG2 4.22Å; L336-V338 HydrophobicContact CD1-CG2 4.41Å; L336-V338 HydrophobicContact CD2-CG2 4.17Å; L336-V338 HydrophobicContact CG-CG2 3.85Å; V338-T340 HydrophobicContact CB-CG2 4.37Å; V338-T340 HydrophobicContact CG1-CG2 4.25Å; V338-T340 PolarHBondContact O-N 2.87Å; V338-V344 CarbonylContact O-C 3.57Å; V338-V344 VanDerWaalsContact O-CA 3.31Å; V338-V344 WeakPolarHBondContact O-CA 3.31Å; V338-V345 PolarHBondContact N-O 3.35Å; V338-V345 PolarHBondContact O-N 3.39Å; V338-L387 HydrophobicContact CB-CD2 4.42Å; V338-L387 HydrophobicContact CG1-CD2 3.81Å; V338-L387 HydrophobicContact CG2-CD2 3.67Å
339R95.6Very high88.9Confident59 Ų5943.7 Ų43.722%0.22328%0.277CS..EExtended strand (participates in β ladder)trans-76.6105.3170.5176.351.9170.6108.85.6109.4L314 R315 V318 L319 G320 A321L314-R339 HydrophobicContact CD1-CB 4.15Å; L314-R339 HydrophobicContact CG-CB 4.28Å; R315-R339 PolarHBondContact O-NE 3.05Å; V318-R339 WeakPolarHBondContact O-CB 3.42Å; V318-R339 VanDerWaalsContact O-CG 3.29Å; V318-R339 WeakPolarHBondContact O-CG 3.31Å; L319-R339 HydrophobicContact CD2-CG 4.41Å; G320-R339 PolarHBondContact N-O 3.47Å; A321-R339 HydrophobicContact CB-CB 4.45Å; A321-R339 PolarHBondContact O-N 2.84Å
340T93.6Very high90.1Very high1 Ų142 Ų421%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-110.3171.6177.174.90000110.3V338 C342 G343 V345 F384V338-T340 HydrophobicContact CB-CG2 4.37Å; V338-T340 HydrophobicContact CG1-CG2 4.25Å; V338-T340 PolarHBondContact O-N 2.87Å; T340-C342 PolarHBondContact O-N 2.94Å; T340-C342 VanDerWaalsContact O-N 3.14Å; T340-C342 PolarHBondContact OG1-N 3.43Å; T340-G343 PolarHBondContact N-O 3.41Å; T340-G343 PolarHBondContact O-N 3.2Å; T340-G343 VanDerWaalsContact O-O 3.09Å; T340-G343 PolarHBondContact OG1-O 2.82Å; T340-V345 HydrophobicContact CG2-CB 4.06Å; T340-V345 HydrophobicContact CG2-CG2 3.79Å; T340-V345 WeakPolarHBondContact OG1-CG2 3.2Å; T340-F384 HydrophobicContact CG2-CB 4.24Å; T340-F384 HydrophobicContact CG2-CD2 4.49Å
341Q90.9Very high91.2Very high170 Ų17045.5 Ų45.579%0.79425%0.249SC*.THydrogen-bonded Turntrans-57.2-29174.9-65.61790.700113.3L319 G343L319-Q341 HydrophobicContact CD1-CG 4.04Å; L319-Q341 HydrophobicContact CD2-CG 4.27Å; Q341-G343 VanDerWaalsContact C-N 3.26Å; Q341-G343 PolarHBondContact O-N 3.43Å
342C90.7Very high92.1Very high119 Ų11941.7 Ų41.780%0.80422%0.22SC*.THydrogen-bonded Turntrans-82.92.3178.8-58.10000113.8T340T340-C342 PolarHBondContact O-N 2.94Å; T340-C342 VanDerWaalsContact O-N 3.14Å; T340-C342 PolarHBondContact OG1-N 3.43Å
343G93.3Very high92.5Very high23 Ų2349.7 Ų49.724%0.23725%0.254CS..EExtended strand (participates in β ladder)trans108.3-159.2-17300000112.1T340 Q341T340-G343 PolarHBondContact N-O 3.41Å; T340-G343 PolarHBondContact O-N 3.2Å; T340-G343 VanDerWaalsContact O-O 3.09Å; T340-G343 PolarHBondContact OG1-O 2.82Å; Q341-G343 VanDerWaalsContact C-N 3.26Å; Q341-G343 PolarHBondContact O-N 3.43Å
344V95.8Very high92.5Very high31 Ų3151.8 Ų51.819%0.18827%0.267CS..EExtended strand (participates in β ladder)trans-85.8117.3179.1176.40000109.8L311 L314 R315 V338L311-V344 HydrophobicContact CD2-CG1 3.7Å; L314-V344 HydrophobicContact CB-CG2 4.32Å; L314-V344 HydrophobicContact CD2-CG1 3.72Å; L314-V344 HydrophobicContact CD2-CG2 4.07Å; L314-V344 HydrophobicContact CG-CG2 3.95Å; R315-V344 HydrophobicContact CB-CG2 4.36Å; R315-V344 HydrophobicContact CG-CB 4.45Å; R315-V344 HydrophobicContact CG-CG2 3.52Å; V338-V344 CarbonylContact O-C 3.57Å; V338-V344 VanDerWaalsContact O-CA 3.31Å; V338-V344 WeakPolarHBondContact O-CA 3.31Å
345V93.9Very high92.3Very high32 Ų3252.5 Ų52.519%0.19428%0.277CS..EExtended strand (participates in β ladder)trans-107121.9-178-178.50000109.2S337 V338 T340 F384S337-V345 WeakPolarHBondContact CA-O 3.01Å; V338-V345 PolarHBondContact N-O 3.35Å; V338-V345 PolarHBondContact O-N 3.39Å; T340-V345 HydrophobicContact CG2-CB 4.06Å; T340-V345 HydrophobicContact CG2-CG2 3.79Å; T340-V345 WeakPolarHBondContact OG1-CG2 3.2Å; V345-F384 HydrophobicContact CG1-CE2 4.34Å
346P93.4Very high92.3Very high80 Ų8058.1 Ų58.152%0.51930%0.298SS..EExtended strand (participates in β ladder)trans-84.1139.5174.433.3-32.3000111.1L336L336-P346 CarbonylContact O-C 3.54Å
347H92.4Very high92.1Very high27 Ų2758.7 Ų58.713%0.12530%0.3CS..EExtended strand (participates in β ladder)trans-126.7134.6171.7-60.3-88.9000109.3C335 L336 L359C335-H347 WeakPolarHBondContact CA-O 3.45Å; L336-H347 HydrophobicContact CB-CB 4.41Å; L336-H347 PolarHBondContact N-O 2.81Å; L336-H347 PolarHBondContact O-N 2.96Å; H347-L359 HydrophobicContact CB-CD2 3.54Å
348Q92.9Very high91.9Very high49 Ų4959.9 Ų59.923%0.22931%0.308CS..EExtended strand (participates in β ladder)trans-82.4138.3175.8-58.3-62.1-15.100110.8W334 F350 L359 E360W334-Q348 PolarHBondContact O-OE1 2.99Å; Q348-F350 HydrophobicContact CB-CD2 4.42Å; Q348-F350 HydrophobicContact CB-CE1 4.13Å; Q348-F350 HydrophobicContact CB-CE2 3.45Å; Q348-F350 VanDerWaalsContact CB-CE2 3.45Å; Q348-F350 HydrophobicContact CB-CZ 3.27Å; Q348-F350 HydrophobicContact CG-CZ 4.1Å; Q348-L359 CarbonylContact O-C 3.47Å; Q348-L359 WeakPolarHBondContact O-CA 3.3Å; Q348-E360 HydrophobicContact CB-CB 4.15Å; Q348-E360 WeakPolarHBondContact CB-OE2 3.31Å; Q348-E360 WeakPolarHBondContact CG-OE2 3.43Å; Q348-E360 PolarHBondContact O-N 2.66Å
349V93.1Very high91.7Very high0 Ų060.1 Ų60.10%031%0.309CS..EExtended strand (participates in β ladder)trans-119.3128.2175.6-179.50000107.7L324 Q333 W334 L336 Y357 C358 L359 L369 L372L324-V349 HydrophobicContact CD1-CG2 4.49Å; Q333-V349 WeakPolarHBondContact CA-O 3.44Å; W334-V349 HydrophobicContact CB-CB 4.18Å; W334-V349 HydrophobicContact CE3-CG1 4.42Å; W334-V349 PolarHBondContact N-O 3.46Å; W334-V349 PolarHBondContact O-N 2.65Å; L336-V349 HydrophobicContact CB-CG2 3.98Å; V349-Y357 HydrophobicContact CG1-CD1 4.34Å; V349-C358 CarbonylContact C-O 3.59Å; V349-C358 VanDerWaalsContact CA-O 3.3Å; V349-C358 WeakPolarHBondContact CA-O 3.3Å; V349-L359 HydrophobicContact CG2-CD2 3.66Å; V349-L359 HydrophobicContact CG2-CG 4.08Å; V349-L369 HydrophobicContact CG1-CD2 3.8Å; V349-L372 HydrophobicContact CG1-CD1 3.84Å; V349-L372 HydrophobicContact CG2-CD1 4.49Å
350F91.6Very high91.3Very high59 Ų5961.1 Ų61.126%0.25932%0.316SS..EExtended strand (participates in β ladder)trans-120.5146.6-176.4-51.3-89.1000110.3Q333 Q348 Y357 C358 E360Q333-F350 HydrophobicContact CG-CD1 3.77Å; Q333-F350 HydrophobicContact CG-CE1 4.16Å; Q348-F350 HydrophobicContact CB-CD2 4.42Å; Q348-F350 HydrophobicContact CB-CE1 4.13Å; Q348-F350 HydrophobicContact CB-CE2 3.45Å; Q348-F350 VanDerWaalsContact CB-CE2 3.45Å; Q348-F350 HydrophobicContact CB-CZ 3.27Å; Q348-F350 HydrophobicContact CG-CZ 4.1Å; F350-Y357 WeakPolarHBondContact O-CA 3.35Å; F350-C358 PolarHBondContact N-O 3.37Å; F350-C358 PolarHBondContact O-N 2.7Å; F350-E360 HydrophobicContact CE2-CB 3.87Å; F350-E360 HydrophobicContact CE2-CG 3.93Å; F350-E360 HydrophobicContact CZ-CG 4.43Å
351R91.3Very high90.8Very high104 Ų10469 Ų6939%0.39235%0.353SS..EExtended strand (participates in β ladder)trans-93.4118.7166.3-167.9172.9-171-161.6-0.8109.7G332 W334 G355 R356 Y357G332-R351 PolarHBondContact O-N 3.35Å; W334-R351 HydrophobicContact CH2-CB 4.05Å; W334-R351 HydrophobicContact CZ3-CB 3.79Å; R351-G355 PolarHBondContact NE-O 3.32Å; R351-R356 CarbonylContact C-O 3.51Å; R351-R356 VanDerWaalsContact CA-O 3.29Å; R351-R356 WeakPolarHBondContact CA-O 2.94Å; R351-Y357 HydrophobicContact CB-CE1 4.47Å
352N88.5Confident90.5Very high28 Ų2863.2 Ų63.215%0.1533%0.327CS..  trans-73.8172.4176.976.87.6000111.5L354 G355 R356 E365N352-L354 PolarHBondContact O-N 2.81Å; N352-L354 WeakPolarHBondContact OD1-CA 3.34Å; N352-L354 WeakPolarHBondContact OD1-CB 3.32Å; N352-L354 PolarHBondContact OD1-N 3.48Å; N352-G355 PolarHBondContact O-N 3.15Å; N352-G355 PolarHBondContact OD1-N 2.97Å; N352-G355 VanDerWaalsContact OD1-N 3.09Å; N352-R356 PolarHBondContact N-O 2.92Å; N352-R356 PolarHBondContact OD1-N 3.02Å; N352-R356 PolarHBondContact OD1-O 2.93Å; N352-E365 VanDerWaalsContact ND2-CD 3.34Å; N352-E365 PolarHBondContact ND2-OE1 3.04Å
353H87.2Confident90.1Very high180 Ų18063.8 Ų63.883%0.83333%0.329SS*.THydrogen-bonded Turntrans-63.8-19.1179.157.6-86.2000113.8G355H353-G355 VanDerWaalsContact C-N 3.26Å
354L88.6Confident89.9Confident112 Ų11264.5 Ų64.559%0.58633%0.333SS*.THydrogen-bonded Turntrans-86.33.4173.6-55.8176.9000112.4N352 R356N352-L354 PolarHBondContact O-N 2.81Å; N352-L354 WeakPolarHBondContact OD1-CA 3.34Å; N352-L354 WeakPolarHBondContact OD1-CB 3.32Å; N352-L354 PolarHBondContact OD1-N 3.48Å; L354-R356 VanDerWaalsContact C-N 3.29Å; L354-R356 PolarHBondContact O-N 3.47Å
355G87.4Confident89.8Confident23 Ų2367.1 Ų67.124%0.23734%0.343CS..SBendtrans77.88.4179.900000114.9R351 N352 H353R351-G355 PolarHBondContact NE-O 3.32Å; N352-G355 PolarHBondContact O-N 3.15Å; N352-G355 PolarHBondContact OD1-N 2.97Å; N352-G355 VanDerWaalsContact OD1-N 3.09Å; H353-G355 VanDerWaalsContact C-N 3.26Å
356R91.8Very high89.7Confident119 Ų11966.4 Ų66.445%0.44934%0.338SS..  trans-90.1157.9178-62.2179.1173.9-171.5-4.2111.6R351 N352 L354 E365 F366R351-R356 CarbonylContact C-O 3.51Å; R351-R356 VanDerWaalsContact CA-O 3.29Å; R351-R356 WeakPolarHBondContact CA-O 2.94Å; N352-R356 PolarHBondContact N-O 2.92Å; N352-R356 PolarHBondContact OD1-N 3.02Å; N352-R356 PolarHBondContact OD1-O 2.93Å; L354-R356 VanDerWaalsContact C-N 3.29Å; L354-R356 PolarHBondContact O-N 3.47Å; R356-E365 HydrophobicContact CB-CB 4.33Å; R356-E365 WeakPolarHBondContact CD-OE2 3.18Å; R356-E365 IonicContact CZ-OE2 3.87Å; R356-E365 IonicContact NE-OE2 3.94Å; R356-E365 IonicContact NH1-OE2 2.99Å; R356-E365 PolarHBondContact NH1-OE2 2.98Å; R356-F366 CarbonylContact C-O 3.6Å; R356-F366 VanDerWaalsContact CA-O 3.31Å; R356-F366 WeakPolarHBondContact CA-O 3.38Å; R356-F366 WeakPolarHBondContact CB-O 3.07Å
357Y92.1Very high89.7Confident13 Ų1366.9 Ų66.95%0.05134%0.341CS..EExtended strand (participates in β ladder)trans-102.5137-177.3-61.4-94.4000110.9W334 V349 F350 R351 E365 F366 S368 L369W334-Y357 HydrophobicContact CE3-CD1 4.21Å; W334-Y357 HydrophobicContact CE3-CE1 4.09Å; W334-Y357 HydrophobicContact CH2-CD1 4.22Å; W334-Y357 AromaticContact CH2-CE1 3.4Å; W334-Y357 HydrophobicContact CH2-CE1 3.4Å; W334-Y357 AromaticContact CZ2-CE1 3.95Å; W334-Y357 HydrophobicContact CZ2-CE1 3.95Å; W334-Y357 AromaticContact CZ3-CD1 3.81Å; W334-Y357 HydrophobicContact CZ3-CD1 3.81Å; W334-Y357 AromaticContact CZ3-CE1 3.46Å; W334-Y357 HydrophobicContact CZ3-CE1 3.46Å; W334-Y357 VanDerWaalsContact CZ3-CE1 3.46Å; V349-Y357 HydrophobicContact CG1-CD1 4.34Å; F350-Y357 WeakPolarHBondContact O-CA 3.35Å; R351-Y357 HydrophobicContact CB-CE1 4.47Å; Y357-E365 CarbonylContact O-C 3.58Å; Y357-E365 WeakPolarHBondContact O-CA 3.05Å; Y357-F366 PolarHBondContact N-O 2.86Å; Y357-F366 PolarHBondContact O-N 3.18Å; Y357-S368 VanDerWaalsContact CD2-CA 3.5Å; Y357-L369 HydrophobicContact CD1-CD2 3.37Å; Y357-L369 HydrophobicContact CD1-CG 3.69Å; Y357-L369 HydrophobicContact CE1-CD1 4.06Å; Y357-L369 HydrophobicContact CE1-CD2 3.73Å; Y357-L369 HydrophobicContact CE1-CG 3.57Å; Y357-L369 HydrophobicContact CG-CD2 3.99Å; Y357-L369 HydrophobicContact CG-CG 4.23Å
358C91.3Very high89.6Confident29 Ų2966.1 Ų66.120%0.19634%0.338CS..EExtended strand (participates in β ladder)trans-137.2148.5175.352.80000110.7V349 F350V349-C358 CarbonylContact C-O 3.59Å; V349-C358 VanDerWaalsContact CA-O 3.3Å; V349-C358 WeakPolarHBondContact CA-O 3.3Å; F350-C358 PolarHBondContact N-O 3.37Å; F350-C358 PolarHBondContact O-N 2.7Å
359L91.1Very high89.4Confident4 Ų464.6 Ų64.62%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-89144.6172.5-92.3156.5000109.8L336 H347 Q348 V349 H361 L362 L372 H376 L383L336-L359 HydrophobicContact CD2-CD2 4.13Å; H347-L359 HydrophobicContact CB-CD2 3.54Å; Q348-L359 CarbonylContact O-C 3.47Å; Q348-L359 WeakPolarHBondContact O-CA 3.3Å; V349-L359 HydrophobicContact CG2-CD2 3.66Å; V349-L359 HydrophobicContact CG2-CG 4.08Å; L359-H361 PolarHBondContact O-N 3.38Å; L359-L362 HydrophobicContact CB-CB 4.2Å; L359-L362 HydrophobicContact CB-CD1 3.73Å; L359-L362 HydrophobicContact CB-CG 4.19Å; L359-L362 HydrophobicContact CD1-CD1 3.97Å; L359-L362 HydrophobicContact CG-CD1 4.48Å; L359-L362 PolarHBondContact O-N 3.37Å; L359-L362 VanDerWaalsContact O-N 3.09Å; L359-L372 HydrophobicContact CD1-CD1 4.38Å; L359-L372 HydrophobicContact CD1-CD2 3.87Å; L359-L372 HydrophobicContact CD1-CG 4.24Å; L359-L372 HydrophobicContact CG-CD1 4.2Å; L359-L372 HydrophobicContact CG-CD2 4.34Å; L359-H376 VanDerWaalsContact CD1-NE2 3.29Å; L359-H376 WeakPolarHBondContact CD1-NE2 3.36Å; L359-L383 HydrophobicContact CD1-CD2 4.16Å; L359-L383 HydrophobicContact CD2-CD2 4.42Å
360E86.3Confident89.2Confident80 Ų8065.9 Ų65.937%0.37434%0.338SS..THydrogen-bonded Turntrans-51.8133.4174.7-154.5179.1-178.900110.7Q348 F350 L362Q348-E360 HydrophobicContact CB-CB 4.15Å; Q348-E360 WeakPolarHBondContact CB-OE2 3.31Å; Q348-E360 WeakPolarHBondContact CG-OE2 3.43Å; Q348-E360 PolarHBondContact O-N 2.66Å; F350-E360 HydrophobicContact CE2-CB 3.87Å; F350-E360 HydrophobicContact CE2-CG 3.93Å; F350-E360 HydrophobicContact CZ-CG 4.43Å; E360-L362 PolarHBondContact O-N 3.27Å; E360-L362 VanDerWaalsContact O-N 3.14Å
361H82.3Confident89.1Confident168 Ų16864 Ų6478%0.77833%0.333SS*.THydrogen-bonded Turntrans64.98.6179.3-43.9-55.7000116.1L359L359-H361 PolarHBondContact O-N 3.38Å
362L84.9Confident89.1Confident47 Ų4759.1 Ų59.125%0.24632%0.315CS..  trans-113.1135.4174.2-59.2-179.8000111.6L359 E360 A364L359-L362 HydrophobicContact CB-CB 4.2Å; L359-L362 HydrophobicContact CB-CD1 3.73Å; L359-L362 HydrophobicContact CB-CG 4.19Å; L359-L362 HydrophobicContact CD1-CD1 3.97Å; L359-L362 HydrophobicContact CG-CD1 4.48Å; L359-L362 PolarHBondContact O-N 3.37Å; L359-L362 VanDerWaalsContact O-N 3.09Å; E360-L362 PolarHBondContact O-N 3.27Å; E360-L362 VanDerWaalsContact O-N 3.14Å; L362-A364 VanDerWaalsContact C-N 3.27Å; L362-A364 PolarHBondContact O-N 3.16Å
363P83.1Confident89.2Confident131 Ų13157.8 Ų57.885%0.85131%0.308SS*.  trans-79.1-8.4-177.932.2-36000113.6
364A89.6Confident89.3Confident39 Ų3954.7 Ų54.732%0.32229%0.294SS..  trans-75.8135.6-176.300000111.6L362 F366L362-A364 VanDerWaalsContact C-N 3.27Å; L362-A364 PolarHBondContact O-N 3.16Å; A364-F366 HydrophobicContact CB-CE2 3.85Å; A364-F366 HydrophobicContact CB-CZ 3.77Å
365E92.7Very high89.3Confident85 Ų8552.7 Ų52.740%0.39728%0.283SS..EExtended strand (participates in β ladder)trans-115.3140.9175.6-60-172.3155.300110.9N352 R356 Y357N352-E365 VanDerWaalsContact ND2-CD 3.34Å; N352-E365 PolarHBondContact ND2-OE1 3.04Å; R356-E365 HydrophobicContact CB-CB 4.33Å; R356-E365 WeakPolarHBondContact CD-OE2 3.18Å; R356-E365 IonicContact CZ-OE2 3.87Å; R356-E365 IonicContact NE-OE2 3.94Å; R356-E365 IonicContact NH1-OE2 2.99Å; R356-E365 PolarHBondContact NH1-OE2 2.98Å; Y357-E365 CarbonylContact O-C 3.58Å; Y357-E365 WeakPolarHBondContact O-CA 3.05Å
366F92.8Very high89.4Confident17 Ų1751.9 Ų51.98%0.07527%0.273CS..EExtended strand (participates in β ladder)trans-124.2143.9-175.6-57.8-80.4000111.8R356 Y357 A364 S368 A371 L372 N375 H376R356-F366 CarbonylContact C-O 3.6Å; R356-F366 VanDerWaalsContact CA-O 3.31Å; R356-F366 WeakPolarHBondContact CA-O 3.38Å; R356-F366 WeakPolarHBondContact CB-O 3.07Å; Y357-F366 PolarHBondContact N-O 2.86Å; Y357-F366 PolarHBondContact O-N 3.18Å; A364-F366 HydrophobicContact CB-CE2 3.85Å; A364-F366 HydrophobicContact CB-CZ 3.77Å; F366-S368 VanDerWaalsContact C-N 3.27Å; F366-S368 PolarHBondContact O-N 3.09Å; F366-A371 HydrophobicContact CB-CB 4.37Å; F366-L372 HydrophobicContact CB-CB 3.91Å; F366-L372 HydrophobicContact CD1-CB 4.38Å; F366-L372 HydrophobicContact CD2-CB 3.64Å; F366-L372 HydrophobicContact CD2-CD1 3.79Å; F366-L372 HydrophobicContact CD2-CG 3.64Å; F366-L372 HydrophobicContact CE2-CB 4.24Å; F366-L372 HydrophobicContact CE2-CD1 4.29Å; F366-L372 HydrophobicContact CE2-CG 3.9Å; F366-L372 HydrophobicContact CG-CB 3.7Å; F366-L372 HydrophobicContact CG-CG 4.24Å; F366-N375 HydrophobicContact CD1-CB 4.27Å; F366-N375 HydrophobicContact CE1-CB 3.4Å; F366-N375 VanDerWaalsContact CE1-CB 3.4Å; F366-N375 HydrophobicContact CZ-CB 3.91Å; F366-H376 AromaticContact CE2-NE2 3.85Å; F366-H376 AromaticContact CZ-NE2 3.8Å
367P92.4Very high89.2Confident91 Ų9147.6 Ų47.659%0.59126%0.264SS*.SBendtrans-71.4-20.2179.429.2-35.6000113.4A371P367-A371 HydrophobicContact CG-CB 3.87Å
368S90Very high88.7Confident10 Ų1053.1 Ų53.17%0.0730%0.298CS..SBendtrans-155.1167.317775.20000111.5Y357 F366 E370 A371 L372Y357-S368 VanDerWaalsContact CD2-CA 3.5Å; F366-S368 VanDerWaalsContact C-N 3.27Å; F366-S368 PolarHBondContact O-N 3.09Å; S368-E370 VanDerWaalsContact C-N 3.26Å; S368-E370 WeakPolarHBondContact CB-OE2 3.29Å; S368-E370 PolarHBondContact O-N 3.44Å; S368-E370 PolarHBondContact OG-OE2 2.87Å; S368-A371 PolarHBondContact O-N 3.17Å; S368-A371 PolarHBondContact OG-N 2.78Å; S368-L372 PolarHBondContact O-N 3.28Å; S368-L372 VanDerWaalsContact O-N 3.16Å
369L88.8Confident87.8Confident18 Ų1854 Ų549%0.09430%0.303CS..Hα-helixtrans-63.4-34.4176.2-71.5169.8000111.5W300 L324 W334 V349 Y357 L372 V373W300-L369 HydrophobicContact CZ3-CB 4.45Å; L324-L369 HydrophobicContact CD2-CB 4.22Å; L324-L369 HydrophobicContact CD2-CD1 3.97Å; L324-L369 HydrophobicContact CD2-CD2 4.11Å; L324-L369 HydrophobicContact CD2-CG 4.31Å; W334-L369 HydrophobicContact CD2-CD1 4.37Å; V349-L369 HydrophobicContact CG1-CD2 3.8Å; Y357-L369 HydrophobicContact CD1-CD2 3.37Å; Y357-L369 HydrophobicContact CD1-CG 3.69Å; Y357-L369 HydrophobicContact CE1-CD1 4.06Å; Y357-L369 HydrophobicContact CE1-CD2 3.73Å; Y357-L369 HydrophobicContact CE1-CG 3.57Å; Y357-L369 HydrophobicContact CG-CD2 3.99Å; Y357-L369 HydrophobicContact CG-CG 4.23Å; L369-L372 WeakPolarHBondContact O-CB 3.32Å; L369-L372 PolarHBondContact O-N 2.92Å; L369-V373 WeakPolarHBondContact O-CG2 3.3Å; L369-V373 PolarHBondContact O-N 2.92Å
370E89.1Confident86.5Confident27 Ų2760.2 Ų60.213%0.12633%0.332CS..Hα-helixtrans-64-45.5176.4-53.563.7-135.400110.8F271 W300 S368 L372 V373 E374F271-E370 WeakPolarHBondContact CD1-OE1 3.4Å; F271-E370 WeakPolarHBondContact CE1-OE1 3.4Å; W300-E370 HydrophobicContact CH2-CB 4.19Å; W300-E370 HydrophobicContact CH2-CG 3.85Å; W300-E370 HydrophobicContact CZ3-CG 4.29Å; S368-E370 VanDerWaalsContact C-N 3.26Å; S368-E370 WeakPolarHBondContact CB-OE2 3.29Å; S368-E370 PolarHBondContact O-N 3.44Å; S368-E370 PolarHBondContact OG-OE2 2.87Å; E370-L372 PolarHBondContact O-N 2.84Å; E370-V373 PolarHBondContact O-N 3.45Å; E370-E374 WeakPolarHBondContact O-CB 3.09Å; E370-E374 VanDerWaalsContact O-CG 3.28Å; E370-E374 WeakPolarHBondContact O-CG 3.21Å; E370-E374 PolarHBondContact O-N 3.12Å
371A89.8Confident85.3Confident18 Ų1867.7 Ų67.715%0.14936%0.357CS..Hα-helixtrans-63.8-33177.800000112.2F366 P367 S368 N375F366-A371 HydrophobicContact CB-CB 4.37Å; P367-A371 HydrophobicContact CG-CB 3.87Å; S368-A371 PolarHBondContact O-N 3.17Å; S368-A371 PolarHBondContact OG-N 2.78Å; A371-N375 WeakPolarHBondContact O-CB 3.31Å; A371-N375 PolarHBondContact O-N 3.13Å; A371-N375 VanDerWaalsContact O-N 3.15Å
372L91.6Very high84.7Confident2 Ų261.2 Ų61.21%0.0133%0.331CS..Hα-helixtrans-65.4-51.1173-177.6158.4000110.6L336 V349 L359 F366 S368 L369 E370 E374 N375 H376L336-L372 HydrophobicContact CD2-CD2 4.48Å; V349-L372 HydrophobicContact CG1-CD1 3.84Å; V349-L372 HydrophobicContact CG2-CD1 4.49Å; L359-L372 HydrophobicContact CD1-CD1 4.38Å; L359-L372 HydrophobicContact CD1-CD2 3.87Å; L359-L372 HydrophobicContact CD1-CG 4.24Å; L359-L372 HydrophobicContact CG-CD1 4.2Å; L359-L372 HydrophobicContact CG-CD2 4.34Å; F366-L372 HydrophobicContact CB-CB 3.91Å; F366-L372 HydrophobicContact CD1-CB 4.38Å; F366-L372 HydrophobicContact CD2-CB 3.64Å; F366-L372 HydrophobicContact CD2-CD1 3.79Å; F366-L372 HydrophobicContact CD2-CG 3.64Å; F366-L372 HydrophobicContact CE2-CB 4.24Å; F366-L372 HydrophobicContact CE2-CD1 4.29Å; F366-L372 HydrophobicContact CE2-CG 3.9Å; F366-L372 HydrophobicContact CG-CB 3.7Å; F366-L372 HydrophobicContact CG-CG 4.24Å; S368-L372 PolarHBondContact O-N 3.28Å; S368-L372 VanDerWaalsContact O-N 3.16Å; L369-L372 WeakPolarHBondContact O-CB 3.32Å; L369-L372 PolarHBondContact O-N 2.92Å; E370-L372 PolarHBondContact O-N 2.84Å; L372-E374 PolarHBondContact O-N 3.23Å; L372-N375 PolarHBondContact O-N 2.81Å; L372-H376 PolarHBondContact O-CD2 2.9Å; L372-H376 PolarHBondContact O-N 3.36Å; L372-H376 VanDerWaalsContact O-N 3.16Å
373V90.4Very high84.5Confident1 Ų159 Ų591%0.00632%0.319CS..Hα-helixtrans-60.2-46.9178.9169.60000111.2W300 F322 L369 E370 N375 H376 A377 L387 M389W300-V373 HydrophobicContact CH2-CB 4.25Å; W300-V373 HydrophobicContact CH2-CG1 4.49Å; W300-V373 HydrophobicContact CH2-CG2 4.08Å; W300-V373 HydrophobicContact CZ2-CB 4.43Å; W300-V373 HydrophobicContact CZ2-CG1 4.17Å; W300-V373 HydrophobicContact CZ2-CG2 4.4Å; W300-V373 HydrophobicContact CZ3-CG2 4.28Å; F322-V373 HydrophobicContact CE1-CG1 4.04Å; F322-V373 HydrophobicContact CE2-CG1 4.14Å; F322-V373 HydrophobicContact CE2-CG2 4.11Å; F322-V373 HydrophobicContact CZ-CG1 3.49Å; F322-V373 VanDerWaalsContact CZ-CG1 3.49Å; F322-V373 HydrophobicContact CZ-CG2 4.31Å; L369-V373 WeakPolarHBondContact O-CG2 3.3Å; L369-V373 PolarHBondContact O-N 2.92Å; E370-V373 PolarHBondContact O-N 3.45Å; V373-N375 VanDerWaalsContact C-N 3.33Å; V373-N375 PolarHBondContact O-N 2.87Å; V373-H376 CarbonylContact O-C 3.55Å; V373-H376 PolarHBondContact O-N 2.81Å; V373-A377 WeakPolarHBondContact O-CB 3.35Å; V373-A377 PolarHBondContact O-N 2.81Å; V373-L387 HydrophobicContact CB-CD1 4.35Å; V373-L387 HydrophobicContact CG1-CD1 4.11Å; V373-L387 HydrophobicContact CG2-CD1 4.37Å; V373-M389 HydrophobicContact CG1-CE 4.3Å; V373-M389 HydrophobicContact CG1-SD 3.71Å
374E89.1Confident84.6Confident115 Ų11560.4 Ų60.454%0.53731%0.312SS..Hα-helixtrans-59.9-40.2178.9-74.6172.7-178.200112.5E370 L372 A377E370-E374 WeakPolarHBondContact O-CB 3.09Å; E370-E374 VanDerWaalsContact O-CG 3.28Å; E370-E374 WeakPolarHBondContact O-CG 3.21Å; E370-E374 PolarHBondContact O-N 3.12Å; L372-E374 PolarHBondContact O-N 3.23Å; E374-A377 PolarHBondContact O-N 3.35Å
375N89.3Confident84.5Confident69 Ų6959.5 Ų59.537%0.36930%0.303SS..Hα-helixtrans-65.8-42178-176.5-102.6000112.4F366 A371 L372 V373 A377 V378 T379F366-N375 HydrophobicContact CD1-CB 4.27Å; F366-N375 HydrophobicContact CE1-CB 3.4Å; F366-N375 VanDerWaalsContact CE1-CB 3.4Å; F366-N375 HydrophobicContact CZ-CB 3.91Å; A371-N375 WeakPolarHBondContact O-CB 3.31Å; A371-N375 PolarHBondContact O-N 3.13Å; A371-N375 VanDerWaalsContact O-N 3.15Å; L372-N375 PolarHBondContact O-N 2.81Å; V373-N375 VanDerWaalsContact C-N 3.33Å; V373-N375 PolarHBondContact O-N 2.87Å; N375-A377 VanDerWaalsContact C-N 3.32Å; N375-V378 PolarHBondContact O-N 2.85Å; N375-T379 WeakPolarHBondContact O-CB 3.31Å; N375-T379 PolarHBondContact O-N 2.75Å; N375-T379 PolarHBondContact O-OG1 3.19Å
376H90.1Very high84.4Confident6 Ų657.4 Ų57.43%0.02830%0.297CS..Hα-helixtrans-80.3-11.7179.8-72-63.3000113.6L359 F366 L372 V373 V378 S382 L383 P386 L387L359-H376 VanDerWaalsContact CD1-NE2 3.29Å; L359-H376 WeakPolarHBondContact CD1-NE2 3.36Å; F366-H376 AromaticContact CE2-NE2 3.85Å; F366-H376 AromaticContact CZ-NE2 3.8Å; L372-H376 PolarHBondContact O-CD2 2.9Å; L372-H376 PolarHBondContact O-N 3.36Å; L372-H376 VanDerWaalsContact O-N 3.16Å; V373-H376 CarbonylContact O-C 3.55Å; V373-H376 PolarHBondContact O-N 2.81Å; H376-V378 VanDerWaalsContact C-N 3.28Å; H376-S382 PolarHBondContact CE1-OG 3.02Å; H376-S382 PolarHBondContact ND1-OG 3.41Å; H376-L383 HydrophobicContact CB-CD1 3.75Å; H376-P386 WeakPolarHBondContact O-CA 3.26Å; H376-L387 HydrophobicContact CB-CD1 3.73Å; H376-L387 HydrophobicContact CB-CG 3.94Å; H376-L387 PolarHBondContact O-N 3.34Å
377A87.5Confident84.4Confident30 Ų3056.9 Ų56.925%0.24829%0.294CS..Hα-helixtrans-70.3-24.9169.900000113.1V373 E374 N375 P386 L387V373-A377 WeakPolarHBondContact O-CB 3.35Å; V373-A377 PolarHBondContact O-N 2.81Å; E374-A377 PolarHBondContact O-N 3.35Å; N375-A377 VanDerWaalsContact C-N 3.32Å; A377-P386 WeakPolarHBondContact O-CB 3.4Å; A377-L387 VanDerWaalsContact CA-O 3.26Å; A377-L387 WeakPolarHBondContact CA-O 3.48Å; A377-L387 HydrophobicContact CB-CB 4.36Å; A377-L387 WeakPolarHBondContact CB-O 3.21Å
378V80Confident84.3Confident128 Ų12853.4 Ų53.478%0.77627%0.271SS*.Hα-helixtrans-103-22.9-179.9-174.40000112.1N375 H376N375-V378 PolarHBondContact O-N 2.85Å; H376-V378 VanDerWaalsContact C-N 3.28Å
379T72.4Confident84.1Confident48 Ų4854.5 Ų54.529%0.29428%0.276SS..  trans-110.1113.2-169.3-49.40000112N375 R381N375-T379 WeakPolarHBondContact O-CB 3.31Å; N375-T379 PolarHBondContact O-N 2.75Å; N375-T379 PolarHBondContact O-OG1 3.19Å; T379-R381 VanDerWaalsContact C-N 3.27Å; T379-R381 HydrophobicContact CG2-CB 4.03Å; T379-R381 HydrophobicContact CG2-CG 4.16Å; T379-R381 PolarHBondContact O-N 3.38Å
380E65.1Low84.3Confident135 Ų13553.7 Ų53.763%0.63127%0.271SS*.  trans-69-21.6177.1-71.9-175.5170.400114.5S382 P386E380-S382 PolarHBondContact O-N 2.97Å; E380-P386 HydrophobicContact CG-CG 3.51Å
381R60.5Low84.6Confident236 Ų23653.6 Ų53.689%0.89127%0.27SS*.THydrogen-bonded Turntrans-67.7-5.7-153.2-67-173.6175.6178.9-0.7116.1T379T379-R381 VanDerWaalsContact C-N 3.27Å; T379-R381 HydrophobicContact CG2-CB 4.03Å; T379-R381 HydrophobicContact CG2-CG 4.16Å; T379-R381 PolarHBondContact O-N 3.38Å
382S70Confident84.9Confident33 Ų3354.1 Ų54.123%0.23127%0.27CS..THydrogen-bonded Turntrans-135.7-19.8-170.3590000117H376 E380H376-S382 PolarHBondContact CE1-OG 3.02Å; H376-S382 PolarHBondContact ND1-OG 3.41Å; E380-S382 PolarHBondContact O-N 2.97Å
383L80.8Confident85.1Confident1 Ų154.3 Ų54.31%0.00527%0.271CS..SBendtrans-116.221.3-175-60-179.9000113L336 L359 H376 C385 L387L336-L383 HydrophobicContact CD2-CD1 4.13Å; L359-L383 HydrophobicContact CD1-CD2 4.16Å; L359-L383 HydrophobicContact CD2-CD2 4.42Å; H376-L383 HydrophobicContact CB-CD1 3.75Å; L383-C385 PolarHBondContact O-N 3.34Å; L383-L387 HydrophobicContact CD1-CD1 4.24Å; L383-L387 HydrophobicContact CD1-CD2 3.81Å; L383-L387 HydrophobicContact CD1-CG 3.94Å
384F84Confident85.3Confident160 Ų16056.8 Ų56.870%0.70229%0.287SS*.SBendtrans64.2-24.1-172.2-54.2-85.2000115.5T340 V345T340-F384 HydrophobicContact CG2-CB 4.24Å; T340-F384 HydrophobicContact CG2-CD2 4.49Å; V345-F384 HydrophobicContact CG1-CE2 4.34Å
385C87.9Confident85.5Confident19 Ų1951.7 Ų51.713%0.12826%0.264CS..SBendtrans-150.5162.3170.560.20000110.1L383L383-C385 PolarHBondContact O-N 3.34Å
386P91.2Very high85.6Confident41 Ų4150.7 Ų50.727%0.26626%0.255SS..PPolyproline II helixtrans-65.1153170.2-6.222.6000110.1G320 H376 A377 E380 D388G320-P386 WeakPolarHBondContact CA-O 3.38Å; H376-P386 WeakPolarHBondContact O-CA 3.26Å; A377-P386 WeakPolarHBondContact O-CB 3.4Å; E380-P386 HydrophobicContact CG-CG 3.51Å; P386-D388 PolarHBondContact O-N 3.32Å
387L92.6Very high85.6Confident6 Ų653 Ų533%0.03127%0.266CS..PPolyproline II helixtrans-70.3127.3168.9-62.3-179.2000109.9G320 F322 L336 V338 V373 H376 A377 L383G320-L387 WeakPolarHBondContact O-CA 3.49Å; F322-L387 HydrophobicContact CB-CD2 4.1Å; F322-L387 HydrophobicContact CD1-CB 4.06Å; F322-L387 HydrophobicContact CD1-CD1 4.4Å; F322-L387 HydrophobicContact CD1-CD2 4.04Å; F322-L387 HydrophobicContact CD1-CG 4.39Å; F322-L387 HydrophobicContact CE1-CB 4.22Å; F322-L387 HydrophobicContact CG-CD2 4.2Å; L336-L387 HydrophobicContact CD2-CD1 4.43Å; V338-L387 HydrophobicContact CB-CD2 4.42Å; V338-L387 HydrophobicContact CG1-CD2 3.81Å; V338-L387 HydrophobicContact CG2-CD2 3.67Å; V373-L387 HydrophobicContact CB-CD1 4.35Å; V373-L387 HydrophobicContact CG1-CD1 4.11Å; V373-L387 HydrophobicContact CG2-CD1 4.37Å; H376-L387 HydrophobicContact CB-CD1 3.73Å; H376-L387 HydrophobicContact CB-CG 3.94Å; H376-L387 PolarHBondContact O-N 3.34Å; A377-L387 VanDerWaalsContact CA-O 3.26Å; A377-L387 WeakPolarHBondContact CA-O 3.48Å; A377-L387 HydrophobicContact CB-CB 4.36Å; A377-L387 WeakPolarHBondContact CB-O 3.21Å; L383-L387 HydrophobicContact CD1-CD1 4.24Å; L383-L387 HydrophobicContact CD1-CD2 3.81Å; L383-L387 HydrophobicContact CD1-CG 3.94Å
388D90.4Very high85.3Confident19 Ų1958.2 Ų58.210%0.10229%0.285CS..PPolyproline II helixtrans-95.4130.3172.3-159.9-33.1000108.8Q49 V318 L319 G320 P386 G390Q49-D388 PolarHBondContact NE2-OD2 2.83Å; V318-D388 HydrophobicContact CG2-CB 4.19Å; L319-D388 WeakPolarHBondContact O-CB 3.34Å; G320-D388 VanDerWaalsContact C-N 3.28Å; G320-D388 PolarHBondContact O-N 2.99Å; P386-D388 PolarHBondContact O-N 3.32Å; D388-G390 VanDerWaalsContact C-N 3.3Å; D388-G390 PolarHBondContact OD1-N 2.95Å
389M85.5Confident85.1Confident33 Ų3358.5 Ų58.516%0.16328%0.278CS..  trans-85.6-8.7177.6-61.9-63.5-78.800112W97 H135 W300 F322 V373W97-M389 HydrophobicContact CZ2-CE 3.92Å; H135-M389 PolarHBondContact CE1-O 3.34Å; H135-M389 PolarHBondContact NE2-O 3.41Å; W300-M389 HydrophobicContact CZ2-CE 4.41Å; F322-M389 HydrophobicContact CE1-SD 3.76Å; F322-M389 HydrophobicContact CZ-SD 3.9Å; V373-M389 HydrophobicContact CG1-CE 4.3Å; V373-M389 HydrophobicContact CG1-SD 3.71Å
390G93.1Very high85Confident0 Ų059 Ų590%028%0.279CS..  trans-76.2155.5174.200000113.2Y94 S95 D388Y94-G390 WeakPolarHBondContact OH-CA 3.44Å; S95-G390 CarbonylContact O-C 3.56Å; S95-G390 WeakPolarHBondContact O-CA 3.03Å; D388-G390 VanDerWaalsContact C-N 3.3Å; D388-G390 PolarHBondContact OD1-N 2.95Å
391R95.3Very high84.5Confident25 Ų2557.9 Ų57.99%0.09429%0.285CS..EExtended strand (participates in β ladder)trans-140.9133.7-176.8-60.2-63-70-88-0.5111.2Y94 S95 I299 D317Y94-R391 VanDerWaalsContact CD2-O 3.32Å; Y94-R391 WeakPolarHBondContact CD2-O 3.46Å; S95-R391 PolarHBondContact N-O 2.86Å; S95-R391 PolarHBondContact O-N 3.02Å; I299-R391 PolarHBondContact O-NH1 2.9Å; D317-R391 IonicContact OD2-NE 2.57Å; D317-R391 PolarHBondContact OD2-NE 2.85Å; D317-R391 VanDerWaalsContact OD2-NE 3.07Å
392L95.6Very high84.1Confident30 Ų3049.3 Ų49.316%0.15727%0.269CS..EExtended strand (participates in β ladder)trans-73.5148.8167.1-66.6176.6000111.3T41 L93 Y94 R316 D317 V318 P394T41-L392 HydrophobicContact CG2-CD1 3.85Å; T41-L392 HydrophobicContact CG2-CD2 3.98Å; T41-L392 HydrophobicContact CG2-CG 4.48Å; L93-L392 HydrophobicContact CD1-CD2 4.27Å; L93-L392 HydrophobicContact CG-CD2 4.33Å; L93-L392 WeakPolarHBondContact O-CA 3.49Å; Y94-L392 HydrophobicContact CD2-CD2 3.84Å; Y94-L392 HydrophobicContact CD2-CG 4.45Å; Y94-L392 HydrophobicContact CG-CD2 4.33Å; R316-L392 VanDerWaalsContact O-CD1 3.29Å; R316-L392 WeakPolarHBondContact O-CD1 3.42Å; D317-L392 PolarHBondContact OD1-N 3.29Å; V318-L392 HydrophobicContact CG1-CD1 4.23Å; V318-L392 HydrophobicContact CG1-CD2 4.19Å; V318-L392 HydrophobicContact CG1-CG 3.93Å; L392-P394 WeakPolarHBondContact O-CD 3.48Å
393N95.9Very high82.5Confident5 Ų552.7 Ų52.73%0.02729%0.291CS..  trans-87111.9169.9179.212.4000109.7L89 I92 L93 F142 T395 Y396L89-N393 PolarHBondContact O-ND2 2.97Å; I92-N393 WeakPolarHBondContact O-CB 3.18Å; I92-N393 PolarHBondContact O-ND2 3.38Å; L93-N393 PolarHBondContact O-N 3.22Å; F142-N393 HydrophobicContact CB-CB 4.47Å; F142-N393 HydrophobicContact CD1-CB 3.82Å; F142-N393 HydrophobicContact CD2-CB 3.74Å; F142-N393 HydrophobicContact CE1-CB 3.87Å; F142-N393 HydrophobicContact CE2-CB 3.79Å; F142-N393 HydrophobicContact CG-CB 3.77Å; F142-N393 HydrophobicContact CZ-CB 3.85Å; N393-T395 VanDerWaalsContact CG-OG1 3.32Å; N393-T395 PolarHBondContact ND2-OG1 3.45Å; N393-T395 PolarHBondContact O-N 2.97Å; N393-T395 VanDerWaalsContact O-N 3.12Å; N393-T395 PolarHBondContact OD1-N 3.27Å; N393-T395 PolarHBondContact OD1-OG1 3.12Å; N393-Y396 WeakPolarHBondContact O-CB 3.4Å; N393-Y396 PolarHBondContact O-N 3.16Å; N393-Y396 VanDerWaalsContact O-N 3.12Å
394P94.1Very high80.6Confident54 Ų5459.2 Ų59.235%0.35133%0.333SS..THydrogen-bonded Turntrans-68.2-11.9178.831.1-37.9000113.3Y146 L313 L392Y146-P394 HydrophobicContact CD2-CB 3.59Å; Y146-P394 HydrophobicContact CD2-CG 3.59Å; Y146-P394 HydrophobicContact CE2-CB 3.89Å; Y146-P394 HydrophobicContact CE2-CG 4.32Å; Y146-P394 HydrophobicContact CG-CB 4.42Å; Y146-P394 HydrophobicContact CG-CG 3.96Å; L313-P394 HydrophobicContact CD1-CB 4.5Å; L313-P394 HydrophobicContact CD2-CB 3.82Å; L392-P394 WeakPolarHBondContact O-CD 3.48Å
395T93.3Very high78.4Confident7 Ų755.2 Ų55.24%0.04334%0.337CS..THydrogen-bonded Turntrans-98.511.4176.468.20000113.5R90 A145 Y146 N393R90-T395 WeakPolarHBondContact CA-O 3.2Å; A145-T395 HydrophobicContact CB-CG2 4.09Å; Y146-T395 HydrophobicContact CD2-CG2 4.12Å; Y146-T395 HydrophobicContact CG-CG2 4.47Å; N393-T395 VanDerWaalsContact CG-OG1 3.32Å; N393-T395 PolarHBondContact ND2-OG1 3.45Å; N393-T395 PolarHBondContact O-N 2.97Å; N393-T395 VanDerWaalsContact O-N 3.12Å; N393-T395 PolarHBondContact OD1-N 3.27Å; N393-T395 PolarHBondContact OD1-OG1 3.12Å
396Y93.1Very high75.8Confident48 Ų4865 Ų6519%0.18837%0.371CS..  trans-64.2135.4177.2174.9-99.1000111.2R90 L93 R109 N393 E398R90-Y396 WeakPolarHBondContact O-CD2 3.47Å; L93-Y396 VanDerWaalsContact CA-CD2 3.48Å; L93-Y396 HydrophobicContact CB-CD2 3.7Å; L93-Y396 HydrophobicContact CB-CE2 3.72Å; L93-Y396 HydrophobicContact CB-CG 4.15Å; L93-Y396 HydrophobicContact CD1-CD1 3.59Å; L93-Y396 HydrophobicContact CD1-CD2 4.13Å; L93-Y396 HydrophobicContact CD1-CE1 3.92Å; L93-Y396 HydrophobicContact CD1-CE2 4.41Å; L93-Y396 HydrophobicContact CD1-CG 3.68Å; R109-Y396 VanDerWaalsContact CD-OH 3.24Å; R109-Y396 WeakPolarHBondContact CD-OH 3.26Å; R109-Y396 HydrophobicContact CG-CE2 4.34Å; R109-Y396 PolarHBondContact NE-OH 2.82Å; N393-Y396 WeakPolarHBondContact O-CB 3.4Å; N393-Y396 PolarHBondContact O-N 3.16Å; N393-Y396 VanDerWaalsContact O-N 3.12Å; Y396-E398 HydrophobicContact CE1-CB 4.44Å; Y396-E398 HydrophobicContact CE1-CG 3.78Å
397E89.1Confident73.2Confident54 Ų5468.8 Ų68.825%0.25240%0.396SS..  trans-116.1129.6173.8-66.7171.3-152.800108.4R90 R109 Q399R90-E397 HydrophobicContact CB-CB 4.38Å; R90-E397 HydrophobicContact CB-CG 4.14Å; R90-E397 VanDerWaalsContact CD-CD 3.48Å; R90-E397 WeakPolarHBondContact CD-OE1 3.13Å; R90-E397 WeakPolarHBondContact CD-OE2 3.15Å; R90-E397 PolarHBondContact O-N 3.24Å; R109-E397 PolarHBondContact NE-O 2.92Å; R109-E397 PolarHBondContact NH2-O 3.17Å; E397-Q399 PolarHBondContact O-N 2.97Å
398E81.8Confident70.5Confident141 Ų14176.4 Ų76.466%0.65944%0.436SS*.SBendtrans-66.5-23.7177.2-72.1174.1-17000112.5R109 A115 Y396R109-E398 WeakPolarHBondContact CD-O 3.5Å; R109-E398 PolarHBondContact NE-O 3.21Å; A115-E398 WeakPolarHBondContact CB-O 3.41Å; Y396-E398 HydrophobicContact CE1-CB 4.44Å; Y396-E398 HydrophobicContact CE1-CG 3.78Å
399Q75.7Confident67.9Low134 Ų13486.7 Ų86.763%0.62647%0.473SS*.SBendtrans-133.4147.6-178.6-64.3-178.637.500111.1A115 E397 C401A115-Q399 HydrophobicContact CB-CG 4.01Å; E397-Q399 PolarHBondContact O-N 2.97Å; Q399-C401 PolarHBondContact O-N 3.36Å
400D69.9Low65.4Low58 Ų5891.5 Ų91.531%0.3151%0.505SS..  trans-76.4106.6169.1-64.1-17.8000107.6R91 R109 G402R91-D400 IonicContact CZ-OD1 3.04Å; R91-D400 IonicContact CZ-OD2 3.76Å; R91-D400 IonicContact NE-OD1 3.07Å; R91-D400 PolarHBondContact NE-OD1 3.37Å; R91-D400 IonicContact NE-OD2 3.56Å; R91-D400 PolarHBondContact NE-OD2 3.09Å; R91-D400 IonicContact NH2-OD1 3.11Å; R91-D400 IonicContact NH2-OD2 2.92Å; R91-D400 PolarHBondContact NH2-OD2 3.39Å; R109-D400 IonicContact CZ-OD1 3.08Å; R109-D400 IonicContact NH1-OD1 3.68Å; R109-D400 PolarHBondContact NH1-OD1 3.42Å; R109-D400 VanDerWaalsContact NH1-OD1 3.11Å; R109-D400 IonicContact NH2-OD1 3.7Å; R109-D400 PolarHBondContact NH2-OD1 3.34Å; D400-G402 PolarHBondContact O-N 3.41Å
401C54.4Low62.7Low112 Ų11299.6 Ų99.676%0.75755%0.547SS*.  trans-58.6101174-67.50000110.3Q399Q399-C401 PolarHBondContact O-N 3.36Å
402G51.9Low59.7Low55 Ų55109.1 Ų109.157%0.56758%0.583SS**  trans-94141.6158.700000108.7D400D400-G402 PolarHBondContact O-N 3.41Å
403P36.8Very low56.6Low105 Ų105113.7 Ų113.768%0.68261%0.614SS**  trans-57.2135.3172.123.8-31.2000109G405P403-G405 PolarHBondContact O-N 3.37Å
404P40.3Very low53.6Low138 Ų138121.5 Ų121.590%0.89666%0.656SS**THydrogen-bonded Turntrans-62.3113.9175.925.3-30.9000108
405G39.2Very low50.7Low76 Ų76123.7 Ų123.778%0.78467%0.672SS**THydrogen-bonded Turntrans110.521.7164.900000119P403P403-G405 PolarHBondContact O-N 3.37Å
406R33.3Very low48.1Very low223 Ų223132.6 Ų132.684%0.84271%0.713SS**  trans-114.2112.8160.7-99.4-175.4177-179.21.4111.4L408R406-L408 PolarHBondContact O-N 3.5Å; R406-L408 VanDerWaalsContact O-N 3.14Å
407P35.3Very low45.4Very low121 Ų121134.8 Ų134.879%0.78674%0.741SS**  trans-59.8122.7167.319.6-21.8000107.8R409P407-R409 PolarHBondContact O-N 3.26Å; P407-R409 VanDerWaalsContact O-N 3.12Å
408L36.3Very low42.7Very low167 Ų167141.6 Ų141.687%0.87477%0.77SS**  trans-57.5118.2176.6-158.380.9000107.1R406 T410R406-L408 PolarHBondContact O-N 3.5Å; R406-L408 VanDerWaalsContact O-N 3.14Å; L408-T410 PolarHBondContact O-N 3.07Å
409R36.9Very low40.5Very low234 Ų234139 Ų13988%0.88377%0.767SS**  trans-51.7114.8175.2-81.9-178.1173.4158.7-2.7107.9P407 L411P407-R409 PolarHBondContact O-N 3.26Å; P407-R409 VanDerWaalsContact O-N 3.12Å; R409-L411 VanDerWaalsContact C-N 3.34Å; R409-L411 PolarHBondContact O-N 3.5Å
410T32.8Very low38.9Very low134 Ų134140.7 Ų140.782%0.82278%0.775SS**  trans-54.397169.743.50000108.6L408 R412L408-T410 PolarHBondContact O-N 3.07Å; T410-R412 PolarHBondContact O-N 3.09Å
411L36Very low37.2Very low170 Ų170141.5 Ų141.589%0.8979%0.79SS**  trans-65.9113.8158.6-78.2169.3000105.7R409R409-L411 VanDerWaalsContact C-N 3.34Å; R409-L411 PolarHBondContact O-N 3.5Å
412R32Very low36.3Very low226 Ų226143.8 Ų143.885%0.85379%0.79SS**  trans-51.8142.9175.9-73.8-178.6175.9172.8-1.9109.3T410 L414T410-R412 PolarHBondContact O-N 3.09Å; R412-L414 PolarHBondContact O-N 2.82Å
413P30.8Very low36Very low125 Ų125147.4 Ų147.481%0.81280%0.795SS**  trans-62.1122.6178.2-12.726000109.1S415P413-S415 PolarHBondContact O-N 3.24Å; P413-S415 VanDerWaalsContact O-N 3.14Å
414L32.2Very low36.1Very low170 Ų170151 Ų15189%0.8980%0.803SS**  trans-67.3106.6150.9-97109.8000105.7R412 H416R412-L414 PolarHBondContact O-N 2.82Å; L414-H416 PolarHBondContact O-N 3.05Å
415S34.6Very low35.6Very low100 Ų100147.1 Ų147.170%0.69979%0.788SS**SBendtrans-54.3100.9167.949.70000108.9P413P413-S415 PolarHBondContact O-N 3.24Å; P413-S415 VanDerWaalsContact O-N 3.14Å
416H38.9Very low35.4Very low193 Ų193150 Ų15089%0.89478%0.784SS**  trans161.371.9150.1-86-64000108.6L414L414-H416 PolarHBondContact O-N 3.05Å
417A36.3Very low35.5Very low95 Ų95146.7 Ų146.779%0.78582%0.82SS**  trans-136.9108.3159.900000106.9S419A417-S419 PolarHBondContact O-N 3.39Å
418K32.4Very low35.5Very low197 Ų197148 Ų14886%0.85782%0.822SS**  trans-59.1129.2169.9-75.9-179.1173.4-175.20107.8
419S34.2Very low35.5Very low87 Ų87147 Ų14761%0.60882%0.819SS**  trans-61.7146.3-172.452.30000113.6A417 A421A417-S419 PolarHBondContact O-N 3.39Å; S419-A421 PolarHBondContact O-N 3.15Å
420E42Very low35.4Very low168 Ų168142.2 Ų142.279%0.78582%0.816SS**G310 helixtrans-54.81169.8-78.9170.5123.600115.6E422 L423E420-E422 VanDerWaalsContact C-N 3.26Å; E420-E422 PolarHBondContact O-N 2.95Å; E420-L423 PolarHBondContact O-N 3.22Å
421A34.3Very low35.6Very low75 Ų75142.6 Ų142.662%0.6282%0.815SS**G310 helixtrans-70.6-13178.400000114.5S419S419-A421 PolarHBondContact O-N 3.15Å
422E35.7Very low35.6Very low161 Ų161140.9 Ų140.975%0.75281%0.811SS**G310 helixtrans-87.1-3.2176.5-90.3-178.2151.600114.6E420E420-E422 VanDerWaalsContact C-N 3.26Å; E420-E422 PolarHBondContact O-N 2.95Å
423L46.4Very low35.8Very low131 Ų131135.3 Ų135.369%0.68681%0.808SS**SBendtrans-103.6-7.4178.9-79.3162.8000114.5E420E420-L423 PolarHBondContact O-N 3.22Å
424Q39.1Very low36.2Very low181 Ų181136 Ų13685%0.84681%0.807SS**SBendtrans-100.40.8176.8-71.1179.7-14.400113.6
425G29.8Very low36.5Very low56 Ų56133.4 Ų133.458%0.57780%0.801SS**  trans-115.154.4-17500000113.8
426L34.4Very low36.6Very low135 Ų135136.2 Ų136.271%0.70781%0.81SS**  trans-148.690.4157-73.1-179.6000106.5
427G36.1Very low36.4Very low155 Ų155131 Ų131100%1.59880%0.802SS**  trans-73.30169.300000112.9

Retrieved 427 of 427 residues in 475.1 ms (Link to these results)

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