A0A061HUD1_CRIGR Loading...

Heat shock protein beta-6

Small heat shock protein which functions as a molecular chaperone probably maintaining denatured proteins in a folding-competent state. Seems to have versatile functions in various biological processes. Plays a role in regulating muscle function such as smooth muscle vasorelaxation and cardiac myocyte contractility. May regulate myocardial angiogenesis implicating KDR. Overexpression mediates cardioprotection and angiogenesis after induced damage. Stabilizes monomeric YWHAZ thereby supporting YWHAZ chaperone-like activity.

AlphaFold DB , UniProt , Accession A0A061HUD1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Hspb6, Length 162 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
1M69.3Low84.1Confident211 Ų21189.7 Ų89.7100%1.03947%0.465SS*.  0125.30-62.1-58.6-121.500107.4
2E89.4Confident81.9Confident124 Ų12493.5 Ų93.558%0.57949%0.485SS*.EExtended strand (participates in β ladder)trans-113.7122.5174.3172.7167.2-160.300106.6K91 V92 V93E2-K91 HydrophobicContact CG-CD 4.48Å; E2-K91 VanDerWaalsContact OE1-CD 3.24Å; E2-K91 WeakPolarHBondContact OE1-CD 3.3Å; E2-K91 IonicContact OE1-NZ 3.88Å; E2-K91 PolarHBondContact OE1-NZ 2.75Å; E2-V92 WeakPolarHBondContact CA-O 3.37Å; E2-V93 HydrophobicContact CB-CG2 4.17Å; E2-V93 HydrophobicContact CG-CG2 3.86Å
3I92.5Very high79.5Confident61 Ų61101.5 Ų101.531%0.31351%0.505SS..EExtended strand (participates in β ladder)trans-116.5111.2-177.5-55173.1000107.4K91 V92 P129I3-K91 CarbonylContact O-C 3.55Å; I3-K91 WeakPolarHBondContact O-CA 3.25Å; I3-V92 HydrophobicContact CB-CB 4.31Å; I3-V92 PolarHBondContact N-O 2.83Å; I3-V92 PolarHBondContact O-N 2.97Å; I3-P129 HydrophobicContact CD1-CB 3.74Å
4P94.2Very high77.1Confident104 Ų104109.5 Ų109.568%0.67553%0.527SS*.EExtended strand (participates in β ladder)trans-69.3134.2173.628.9-32.8000109.8
5V93.1Very high74.6Confident8 Ų8109.6 Ų109.65%0.04855%0.553CS.*EExtended strand (participates in β ladder)trans-107.2116.1176.1-178.10000107.8V7 V90 V92 V132V5-V7 PolarHBondContact O-N 3.39Å; V5-V90 HydrophobicContact CB-CB 4.09Å; V5-V90 HydrophobicContact CB-CG1 3.86Å; V5-V90 HydrophobicContact CG1-CG1 4.28Å; V5-V90 HydrophobicContact CG2-CG1 4.34Å; V5-V90 PolarHBondContact N-O 2.76Å; V5-V92 HydrophobicContact CG2-CG2 3.77Å; V5-V132 HydrophobicContact CG1-CG1 4.36Å; V5-V132 HydrophobicContact CG2-CB 4.33Å; V5-V132 HydrophobicContact CG2-CG1 4.08Å
6P92.1Very high72.8Confident92 Ų92108.9 Ų108.960%0.59756%0.561SS**  trans-67.4134.1-179.227-33.3000110.8Q8 S134P6-Q8 PolarHBondContact O-N 3.22Å; P6-S134 PolarHBondContact O-OG 3.34Å
7V90.7Very high71.3Confident28 Ų28108.2 Ų108.217%0.1758%0.575CS.*EExtended strand (participates in β ladder)trans-80.1100.8172.1-178.40000108.3V5 P9 I88 V90 S134 L136 L142V5-V7 PolarHBondContact O-N 3.39Å; V7-P9 WeakPolarHBondContact O-CD 3.5Å; V7-I88 HydrophobicContact CG2-CG2 4.1Å; V7-V90 HydrophobicContact CG2-CG2 3.86Å; V7-S134 WeakPolarHBondContact CA-OG 3.49Å; V7-L136 HydrophobicContact CG1-CB 3.74Å; V7-L136 HydrophobicContact CG1-CD2 4.33Å; V7-L142 HydrophobicContact CG1-CD1 4.11Å
8Q86.8Confident70Confident96 Ų96109 Ų10945%0.44959%0.587SS.*EExtended strand (participates in β ladder)trans-81.3124.5-179.6-64.2-164.4-29.900110.7P6 S10 S134 A135 L136P6-Q8 PolarHBondContact O-N 3.22Å; Q8-S10 PolarHBondContact O-N 2.94Å; Q8-S134 WeakPolarHBondContact CB-O 3.35Å; Q8-S134 PolarHBondContact N-O 2.88Å; Q8-S134 VanDerWaalsContact N-O 3.11Å; Q8-A135 CarbonylContact O-C 3.58Å; Q8-A135 WeakPolarHBondContact O-CA 3.03Å; Q8-L136 PolarHBondContact O-N 3.09Å
9P79.4Confident68.6Low40 Ų40110.6 Ų110.626%0.2660%0.595SS.*EExtended strand (participates in β ladder)trans-72124.2173.9-3.216.8000110.1V7 W11 L12V7-P9 WeakPolarHBondContact O-CD 3.5Å; P9-W11 VanDerWaalsContact C-N 3.31Å; P9-W11 HydrophobicContact CB-CG 4.37Å; P9-W11 PolarHBondContact O-N 2.85Å; P9-L12 HydrophobicContact CB-CD1 4.17Å; P9-L12 HydrophobicContact CB-CG 4.28Å; P9-L12 HydrophobicContact CG-CD1 3.66Å; P9-L12 HydrophobicContact CG-CG 4.3Å; P9-L12 PolarHBondContact O-N 2.95Å
10S72.9Confident66.9Low43 Ų43111.7 Ų111.730%0.30161%0.608SS.*G310 helixtrans-74-23.2-176.871.60000113.3Q8 L12 R13 L136 S137 P138Q8-S10 PolarHBondContact O-N 2.94Å; S10-L12 PolarHBondContact O-N 3.33Å; S10-R13 WeakPolarHBondContact O-CB 3.36Å; S10-R13 PolarHBondContact O-N 3.43Å; S10-L136 PolarHBondContact N-O 3.39Å; S10-L136 PolarHBondContact OG-O 3.26Å; S10-S137 WeakPolarHBondContact OG-CA 3.46Å; S10-P138 WeakPolarHBondContact OG-CD 3.04Å
11W65.3Low65.9Low180 Ų180109.9 Ų109.968%0.68262%0.615SS**G310 helixtrans-63.7-17.4173.361.6-57.6000114.1P9 R13 P138P9-W11 VanDerWaalsContact C-N 3.31Å; P9-W11 HydrophobicContact CB-CG 4.37Å; P9-W11 PolarHBondContact O-N 2.85Å; W11-R13 PolarHBondContact O-N 2.91Å; W11-P138 HydrophobicContact CB-CG 4.32Å
12L57.1Low64.3Low135 Ų135109.2 Ų109.271%0.70761%0.607SS**G310 helixtrans-73.4-4.8170.3-69.3174.1000113.4P9 S10P9-L12 HydrophobicContact CB-CD1 4.17Å; P9-L12 HydrophobicContact CB-CG 4.28Å; P9-L12 HydrophobicContact CG-CD1 3.66Å; P9-L12 HydrophobicContact CG-CG 4.3Å; P9-L12 PolarHBondContact O-N 2.95Å; S10-L12 PolarHBondContact O-N 3.33Å
13R51.3Low62Low197 Ų197108.7 Ų108.774%0.74362%0.617SS**G310 helixtrans-950.5176.4-63.1-157.7-164.3-138.36115.1S10 W11S10-R13 WeakPolarHBondContact O-CB 3.36Å; S10-R13 PolarHBondContact O-N 3.43Å; W11-R13 PolarHBondContact O-N 2.91Å
14R45.9Very low59.9Low214 Ų214109.9 Ų109.981%0.80864%0.636SS**  trans-155.6110.5172.5-153.9175.7-72.2-146.31.3111.7S16R14-S16 PolarHBondContact O-N 2.94Å
15A39.5Very low57.2Low111 Ų111110.5 Ų110.592%0.91764%0.64SS**  trans-78.9103.3170.100000110
16S45.6Very low54.9Low99 Ų99113.9 Ų113.969%0.69268%0.677SS**  trans-156.3116.1149.854.90000107.7R14R14-S16 PolarHBondContact O-N 2.94Å
17A46.8Very low52.6Low96 Ų96120.9 Ų120.979%0.79369%0.691SS**PPolyproline II helixtrans-57.5140.9-176.300000111.9
18P48.5Very low50.4Low123 Ų123126.6 Ų126.680%0.79972%0.72SS**PPolyproline II helixtrans-69.5141.2171.128-30.2000110.2
19L43.7Very low48.1Very low139 Ų139130.8 Ų130.873%0.72874%0.737SS**PPolyproline II helixtrans-66.1146.7174.7-71167000110.6G21L19-G21 PolarHBondContact O-N 2.82Å
20P34.8Very low46.2Very low132 Ų132132.2 Ų132.286%0.85774%0.743SS**THydrogen-bonded Turntrans-65.312317926.4-32.1000110.5
21G45Very low44.9Very low74 Ų74138.7 Ų138.776%0.76377%0.768SS**THydrogen-bonded Turntrans141.2-9.9170.900000117.2L19 S23L19-G21 PolarHBondContact O-N 2.82Å; G21-S23 PolarHBondContact O-N 2.97Å
22F36.3Very low44.2Very low198 Ų198135.6 Ų135.687%0.86876%0.756SS**  trans-93.775.4178.8-72.9-82.9000111.7
23S41Very low43.7Very low112 Ų112132.3 Ų132.378%0.78374%0.736SS**  trans-88.6104.8157.3-175.20000107.4G21G21-S23 PolarHBondContact O-N 2.97Å
24A46.9Very low43.6Very low86 Ų86123.6 Ų123.671%0.71171%0.707SS**PPolyproline II helixtrans-63.9132170.400000108.8G26A24-G26 PolarHBondContact O-N 3.14Å
25P39Very low43.9Very low117 Ų117118.8 Ų118.876%0.7669%0.694SS**PPolyproline II helixtrans-67.3127.8-179.827-31.9000109.5R27P25-R27 PolarHBondContact O-N 2.98Å
26G44.8Very low44.5Very low80 Ų80115 Ų11583%0.82567%0.666SS**PPolyproline II helixtrans-59.6118.1174.100000110A24A24-G26 PolarHBondContact O-N 3.14Å
27R42.8Very low44.7Very low239 Ų239115.7 Ų115.790%0.90266%0.661SS**  trans-101.8113168.3-92.9-171.3179-129.40.9110.1P25P25-R27 PolarHBondContact O-N 2.98Å
28L44Very low44.8Very low147 Ų147117.5 Ų117.577%0.7766%0.657SS**  trans-0.4122.8143.5-108.783.9000115.6
29F38.7Very low44.7Very low185 Ų185119 Ų11981%0.81165%0.653SS**  trans49100.3151-85.8-91.9000117.2Q31F29-Q31 HydrophobicContact CD1-CG 4.37Å
30D40.8Very low44.8Very low70 Ų70116 Ų11637%0.37465%0.649SS.*  trans-122.2109.4150.5-149.6-33.5000108.2R32D30-R32 PolarHBondContact O-N 2.99Å; D30-R32 WeakPolarHBondContact OD1-CB 3.26Å; D30-R32 WeakPolarHBondContact OD1-CG 3.48Å; D30-R32 IonicContact OD1-CZ 3.17Å; D30-R32 PolarHBondContact OD1-N 2.82Å; D30-R32 IonicContact OD1-NE 2.96Å; D30-R32 PolarHBondContact OD1-NE 2.72Å; D30-R32 IonicContact OD1-NH2 3.89Å; D30-R32 IonicContact OD2-CZ 3.75Å; D30-R32 IonicContact OD2-NE 3.74Å; D30-R32 IonicContact OD2-NH2 3.76Å; D30-R32 PolarHBondContact OD2-NH2 3.24Å
31Q45.5Very low45.4Very low178 Ų178114 Ų11483%0.83263%0.628SS**  trans-77.48.5176.6-77.6-144.167.900112.7F29 F33F29-Q31 HydrophobicContact CD1-CG 4.37Å; Q31-F33 PolarHBondContact O-N 3.3Å; Q31-F33 VanDerWaalsContact O-N 3.17Å
32R49.5Very low45.7Very low116 Ų116115.8 Ų115.844%0.43862%0.619SS.*  trans-87.840176.6-64.8-178.1-75.8177.92.1112.3D30 G34 E35 E41D30-R32 PolarHBondContact O-N 2.99Å; D30-R32 WeakPolarHBondContact OD1-CB 3.26Å; D30-R32 WeakPolarHBondContact OD1-CG 3.48Å; D30-R32 IonicContact OD1-CZ 3.17Å; D30-R32 PolarHBondContact OD1-N 2.82Å; D30-R32 IonicContact OD1-NE 2.96Å; D30-R32 PolarHBondContact OD1-NE 2.72Å; D30-R32 IonicContact OD1-NH2 3.89Å; D30-R32 IonicContact OD2-CZ 3.75Å; D30-R32 IonicContact OD2-NE 3.74Å; D30-R32 IonicContact OD2-NH2 3.76Å; D30-R32 PolarHBondContact OD2-NH2 3.24Å; R32-G34 PolarHBondContact O-N 3.24Å; R32-E35 HydrophobicContact CB-CB 4.23Å; R32-E35 HydrophobicContact CB-CG 4.45Å; R32-E35 PolarHBondContact O-N 2.77Å; R32-E41 IonicContact CZ-OE1 3.71Å; R32-E41 IonicContact NH1-OE1 3.78Å; R32-E41 PolarHBondContact NH1-OE1 2.71Å; R32-E41 IonicContact NH2-OE1 3.01Å; R32-E41 PolarHBondContact NH2-OE1 2.85Å
33F46.4Very low46.4Very low66 Ų66109.5 Ų109.529%0.28960%0.604SS.*THydrogen-bonded Turntrans-70.8115.2-173.9-173.9-116.9000111Q31 H82 F83 R115 F117Q31-F33 PolarHBondContact O-N 3.3Å; Q31-F33 VanDerWaalsContact O-N 3.17Å; F33-H82 HydrophobicContact CE2-CB 4.35Å; F33-F83 AromaticContact CE1-CE2 3.87Å; F33-F83 HydrophobicContact CE1-CE2 3.87Å; F33-F83 AromaticContact CE1-CZ 3.69Å; F33-F83 HydrophobicContact CE1-CZ 3.69Å; F33-F83 HydrophobicContact CE2-CD2 4.18Å; F33-F83 AromaticContact CE2-CE2 3.29Å; F33-F83 HydrophobicContact CE2-CE2 3.29Å; F33-F83 AromaticContact CE2-CZ 3.89Å; F33-F83 HydrophobicContact CE2-CZ 3.89Å; F33-F83 HydrophobicContact CZ-CD2 4.13Å; F33-F83 HydrophobicContact CZ-CE1 4.2Å; F33-F83 AromaticContact CZ-CE2 2.94Å; F33-F83 HydrophobicContact CZ-CE2 2.94Å; F33-F83 AromaticContact CZ-CZ 3.03Å; F33-F83 HydrophobicContact CZ-CZ 3.03Å; F33-R115 HydrophobicContact CE1-CB 4.43Å; F33-R115 HydrophobicContact CZ-CB 3.96Å; F33-F117 HydrophobicContact CD1-CB 3.84Å; F33-F117 AromaticContact CD1-CD1 3.98Å; F33-F117 HydrophobicContact CD1-CD1 3.98Å; F33-F117 HydrophobicContact CD1-CG 4.32Å; F33-F117 HydrophobicContact CE1-CB 3.66Å; F33-F117 AromaticContact CE1-CD1 3.48Å; F33-F117 HydrophobicContact CE1-CD1 3.48Å; F33-F117 VanDerWaalsContact CE1-CD1 3.48Å; F33-F117 HydrophobicContact CE1-CG 4.04Å; F33-F117 HydrophobicContact CE2-CD1 4.27Å; F33-F117 AromaticContact CZ-CD1 3.75Å; F33-F117 HydrophobicContact CZ-CD1 3.75Å
34G49.6Very low46.7Very low13 Ų13108.6 Ų108.613%0.13460%0.598CS.*THydrogen-bonded Turntrans5759.2-164.500000110.1R32 R119R32-G34 PolarHBondContact O-N 3.24Å; G34-R119 PolarHBondContact O-NE 2.77Å; G34-R119 PolarHBondContact O-NH1 3.1Å; G34-R119 PolarHBondContact O-NH2 2.92Å
35E51.9Low46.7Very low113 Ų113111.5 Ų111.553%0.52860%0.601SS.*  trans-103.8145.7143.4-75.3-159137.200108.8R32 R119R32-E35 HydrophobicContact CB-CB 4.23Å; R32-E35 HydrophobicContact CB-CG 4.45Å; R32-E35 PolarHBondContact O-N 2.77Å; E35-R119 VanDerWaalsContact C-NH2 3.32Å; E35-R119 PolarHBondContact O-NH1 2.96Å
36G53.2Low47.1Very low32 Ų32110.2 Ų110.233%0.3359%0.594SS.*BIsolated β-bridgetrans-71.5147.5172.400000107.9L38G36-L38 PolarHBondContact O-N 3.35Å
37L48.8Very low46.9Very low113 Ų113112.2 Ų112.259%0.59259%0.592SS**  trans-62.191.5169.1-79.1164.4000108.4
38L48.5Very low47.3Very low135 Ų135105.7 Ų105.771%0.70759%0.589SS**  trans-71.7141.7170.5-102.6153.8000108G36 A40 E41G36-L38 PolarHBondContact O-N 3.35Å; L38-A40 HydrophobicContact CB-CB 4.45Å; L38-A40 PolarHBondContact O-N 2.85Å; L38-E41 PolarHBondContact O-N 2.79Å; L38-E41 VanDerWaalsContact O-N 3.15Å
39E47.2Very low47.4Very low153 Ų153104.9 Ų104.972%0.71559%0.591SS**G310 helixtrans-50.5-9.6174.2-77.9-136.3124.800115.1E41 L42E39-E41 PolarHBondContact O-N 2.81Å; E39-L42 WeakPolarHBondContact O-CB 3.34Å; E39-L42 PolarHBondContact O-N 2.82Å
40A46.1Very low47.9Very low77 Ų77103.8 Ų103.864%0.63659%0.591SS**G310 helixtrans-56-26.2170.600000113.8L38L38-A40 HydrophobicContact CB-CB 4.45Å; L38-A40 PolarHBondContact O-N 2.85Å
41E47.5Very low48Very low91 Ų91103.9 Ų103.943%0.42560%0.602SS.*G310 helixtrans-78.8-20.7172.5-72.2-89151.600112.8R32 L38 E39 A43 S44R32-E41 IonicContact CZ-OE1 3.71Å; R32-E41 IonicContact NH1-OE1 3.78Å; R32-E41 PolarHBondContact NH1-OE1 2.71Å; R32-E41 IonicContact NH2-OE1 3.01Å; R32-E41 PolarHBondContact NH2-OE1 2.85Å; L38-E41 PolarHBondContact O-N 2.79Å; L38-E41 VanDerWaalsContact O-N 3.15Å; E39-E41 PolarHBondContact O-N 2.81Å; E41-A43 VanDerWaalsContact C-N 3.27Å; E41-A43 PolarHBondContact O-N 2.79Å; E41-S44 VanDerWaalsContact O-CB 3.31Å; E41-S44 WeakPolarHBondContact O-CB 3.24Å; E41-S44 PolarHBondContact O-N 3.28Å; E41-S44 VanDerWaalsContact O-N 3.1Å
42L51Low47.9Very low110 Ų110100.8 Ų100.858%0.57660%0.597SS**G310 helixtrans-66.7-32.9173.1-146.185.4000110.9E39 S44 L45E39-L42 WeakPolarHBondContact O-CB 3.34Å; E39-L42 PolarHBondContact O-N 2.82Å; L42-S44 PolarHBondContact O-N 2.86Å; L42-L45 PolarHBondContact O-N 3.01Å
43A50.9Low47.6Very low66 Ų66104.7 Ų104.755%0.54561%0.613SS.*G310 helixtrans-67.5-18.2173.800000113E41 L45 C46E41-A43 VanDerWaalsContact C-N 3.27Å; E41-A43 PolarHBondContact O-N 2.79Å; A43-L45 PolarHBondContact O-N 2.89Å; A43-C46 PolarHBondContact O-N 2.77Å
44S47.5Very low47.7Very low94 Ų94111.6 Ų111.666%0.65764%0.639SS**G310 helixtrans-78.6-2.7178.7-150.30000113.5E41 L42 C46E41-S44 VanDerWaalsContact O-CB 3.31Å; E41-S44 WeakPolarHBondContact O-CB 3.24Å; E41-S44 PolarHBondContact O-N 3.28Å; E41-S44 VanDerWaalsContact O-N 3.1Å; L42-S44 PolarHBondContact O-N 2.86Å; S44-C46 VanDerWaalsContact C-N 3.31Å
45L47.1Very low47.6Very low146 Ų146119.3 Ų119.376%0.76468%0.676SS**G310 helixtrans-82.9-4.5168.4-67.9168.8000113L42 A43L42-L45 PolarHBondContact O-N 3.01Å; A43-L45 PolarHBondContact O-N 2.89Å
46C47.4Very low47.5Very low91 Ų91125.7 Ų125.762%0.61570%0.696SS**SBendtrans-86.9126172.8-62.80000110A43 S44 A48A43-C46 PolarHBondContact O-N 2.77Å; S44-C46 VanDerWaalsContact C-N 3.31Å; C46-A48 PolarHBondContact O-N 3.45Å
47P40.8Very low47Very low121 Ų121127.9 Ų127.979%0.78671%0.711SS**  trans-65.2114.1-178.215.5-16.4000110.6T49P47-T49 PolarHBondContact O-N 3.48Å
48A50.4Low46.7Very low102 Ų102127.6 Ų127.684%0.84372%0.716SS**  trans-68.4109.9176.400000110.7C46C46-A48 PolarHBondContact O-N 3.45Å
49T46Very low46.7Very low131 Ų131127.3 Ų127.380%0.80473%0.725SS**  trans-121.5316950.40000114.7P47P47-T49 PolarHBondContact O-N 3.48Å
50I50.5Low46.6Very low161 Ų161125.6 Ų125.683%0.82672%0.724SS**SBendtrans-141.1118.6177.7-51.2179.1000112.1
51A43Very low46.6Very low72 Ų72126.4 Ų126.460%0.59573%0.732SS**  trans91.6103.1158.400000119.3
52P41.6Very low46.4Very low114 Ų114129.1 Ų129.174%0.7475%0.748SS**SBendtrans-89.68.8175.527.4-19.2000115.7
53Y44.4Very low46Very low197 Ų197129.4 Ų129.477%0.77376%0.757SS**SBendtrans-13511.1-169.6-70.7-71.3000117.9
54Y48Very low45.7Very low211 Ų211130.6 Ų130.683%0.82777%0.766SS**  trans-130.635.7-174.8-73.4-67.7000117.1
55L48.1Very low45.3Very low176 Ų176130.5 Ų130.592%0.92177%0.771SS**  trans-136.165.5165.2-71.9174.3000112.2
56R48.9Very low45.1Very low246 Ų246132.3 Ų132.393%0.92878%0.776SS**  trans-112.380.6149.8-169.8168.7-176.3171.20.7108
57A43.4Very low45.1Very low78 Ų78133.7 Ų133.765%0.64578%0.781SS**  trans-70.3134.5168.400000108.6S59A57-S59 PolarHBondContact O-N 3.03Å
58P41.4Very low45.2Very low108 Ų108133.4 Ų133.470%0.70178%0.779SS**  trans-63.2133.4167.328.2-31000107.5V60P58-V60 PolarHBondContact O-N 2.93Å
59S50.5Low45.3Very low128 Ų128131.3 Ų131.390%0.89576%0.762SS**  trans-6481.2177.4-56.40000110.2A57 A61A57-S59 PolarHBondContact O-N 3.03Å; S59-A61 PolarHBondContact O-N 2.71Å
60V43.7Very low45.8Very low117 Ų117130.8 Ų130.871%0.70975%0.754SS**  trans-65.5117.2153.6179.20000104.1P58 L62P58-V60 PolarHBondContact O-N 2.93Å; V60-L62 PolarHBondContact O-N 3.43Å
61A45.9Very low46.2Very low95 Ų95129.4 Ų129.479%0.78576%0.755SS**  trans-60.188.6170.900000107.8S59S59-A61 PolarHBondContact O-N 2.71Å
62L44.8Very low47.4Very low148 Ų148126.2 Ų126.278%0.77573%0.73SS**  trans-58.9128.7162.6-73.6165.8000105.2V60 A64V60-L62 PolarHBondContact O-N 3.43Å; L62-A64 PolarHBondContact O-N 2.62Å
63P41.3Very low49.2Very low116 Ų116125.3 Ų125.375%0.75371%0.712SS**  trans-53.1121170.922.6-30.2000106A65P63-A65 PolarHBondContact O-N 2.84Å
64A45.7Very low51.3Low90 Ų90116.6 Ų116.674%0.74468%0.678SS**  trans-48.5109.6178.800000106.7L62 Q66L62-A64 PolarHBondContact O-N 2.62Å; A64-Q66 VanDerWaalsContact C-N 3.25Å; A64-Q66 PolarHBondContact O-N 2.8Å
65A39.2Very low53.3Low92 Ų92109 Ų10976%0.7666%0.657SS**  trans-60.7100.9176.500000104.8P63 V67P63-A65 PolarHBondContact O-N 2.84Å; A65-V67 PolarHBondContact O-N 3.45Å
66Q42.8Very low55.4Low185 Ų185101.6 Ų101.686%0.86462%0.618SS**  trans-63.599168.7-65.1-177.530.700103.5A64A64-Q66 VanDerWaalsContact C-N 3.25Å; A64-Q66 PolarHBondContact O-N 2.8Å
67V46.9Very low57.5Low120 Ų12093.4 Ų93.473%0.72759%0.592SS**  trans-43.8128.9164.1178.40000105.1A65 A69A65-V67 PolarHBondContact O-N 3.45Å; V67-A69 VanDerWaalsContact C-N 3.28Å; V67-A69 PolarHBondContact O-N 3.16Å
68P43.3Very low59.8Low114 Ų11489.7 Ų89.774%0.7456%0.562SS**  trans-53.7102.1175.7-19.729.8000106.6D70P68-D70 PolarHBondContact O-N 3.2Å
69A51.2Low62.1Low58 Ų5887 Ų8748%0.47954%0.541SS..  trans-65.2114.4173.900000104V67 P71 P124V67-A69 VanDerWaalsContact C-N 3.28Å; V67-A69 PolarHBondContact O-N 3.16Å; A69-P71 VanDerWaalsContact O-N 3.15Å; A69-P124 HydrophobicContact CB-CG 4.32Å
70D56.4Low64.2Low121 Ų12180.9 Ų80.965%0.64750%0.499SS*.  trans-46.7127.8170.9-74.7-42.3000107.5P68 G72 Y73P68-D70 PolarHBondContact O-N 3.2Å; D70-G72 PolarHBondContact O-N 3.46Å; D70-Y73 PolarHBondContact O-N 3.06Å
71P60.6Low66.5Low131 Ų13180 Ų8085%0.85149%0.485SS*.THydrogen-bonded Turntrans-59.1108.1-168.820.7-31.4000109.6A69A69-P71 VanDerWaalsContact O-N 3.15Å
72G67.6Low68.6Low6 Ų678.8 Ų78.86%0.06246%0.464CS..THydrogen-bonded Turntrans105.91.117800000116.7D70 P148D70-G72 PolarHBondContact O-N 3.46Å; G72-P148 VanDerWaalsContact O-CA 3.27Å; G72-P148 WeakPolarHBondContact O-CA 3.46Å; G72-P148 WeakPolarHBondContact O-CD 3.48Å; G72-P148 VanDerWaalsContact O-CG 3.27Å; G72-P148 WeakPolarHBondContact O-CG 3.33Å; G72-P148 VanDerWaalsContact O-N 3.15Å
73Y79.1Confident70.8Confident94 Ų9472.5 Ų72.537%0.36943%0.43SS..  trans-109.3134.5174.1-176-110.3000112D70 S75 Q145 A146D70-Y73 PolarHBondContact O-N 3.06Å; Y73-S75 VanDerWaalsContact CE1-CB 3.41Å; Y73-S75 WeakPolarHBondContact OH-CB 3.34Å; Y73-S75 PolarHBondContact OH-OG 2.89Å; Y73-Q145 PolarHBondContact OH-NE2 3.22Å; Y73-A146 WeakPolarHBondContact CD2-O 3.45Å
74F88.3Confident73.2Confident14 Ų1468.2 Ų68.26%0.06140%0.403CS..EExtended strand (participates in β ladder)trans-125.7132.4173.5175.4-98.6000108.9V76 V97 Y121 L123 P124 V127 I144 Q145 A146F74-V76 HydrophobicContact CE1-CG2 3.99Å; F74-V76 HydrophobicContact CE2-CG2 3.87Å; F74-V76 HydrophobicContact CZ-CB 4.48Å; F74-V76 HydrophobicContact CZ-CG2 3.46Å; F74-V76 VanDerWaalsContact CZ-CG2 3.46Å; F74-V97 HydrophobicContact CE1-CB 4.37Å; F74-V97 HydrophobicContact CE1-CG2 3.68Å; F74-V97 HydrophobicContact CZ-CB 4.11Å; F74-V97 HydrophobicContact CZ-CG2 3.71Å; F74-Y121 HydrophobicContact CZ-CG 4.38Å; F74-L123 HydrophobicContact CB-CD2 4.45Å; F74-L123 HydrophobicContact CD1-CD2 4.12Å; F74-L123 HydrophobicContact CD2-CD2 4.08Å; F74-L123 HydrophobicContact CE1-CD2 4.38Å; F74-L123 HydrophobicContact CE2-CD2 4.31Å; F74-L123 HydrophobicContact CG-CD2 3.96Å; F74-L123 HydrophobicContact CZ-CD2 4.46Å; F74-P124 HydrophobicContact CD2-CG 4.35Å; F74-V127 HydrophobicContact CB-CG2 4.38Å; F74-I144 HydrophobicContact CE1-CB 4.42Å; F74-I144 HydrophobicContact CE1-CG2 3.91Å; F74-Q145 CarbonylContact O-C 3.56Å; F74-Q145 WeakPolarHBondContact O-CA 3.17Å; F74-A146 HydrophobicContact CB-CB 3.97Å; F74-A146 PolarHBondContact N-O 3Å; F74-A146 PolarHBondContact O-N 3.49Å
75S91.1Very high75.4Confident53 Ų5366.4 Ų66.437%0.37138%0.384SS..EExtended strand (participates in β ladder)trans-151.7130176.8-171.80000111.2Y73 I144 Q145Y73-S75 VanDerWaalsContact CE1-CB 3.41Å; Y73-S75 WeakPolarHBondContact OH-CB 3.34Å; Y73-S75 PolarHBondContact OH-OG 2.89Å; S75-I144 CarbonylContact C-O 3.54Å; S75-I144 VanDerWaalsContact CA-O 3.3Å; S75-I144 WeakPolarHBondContact CA-O 3.25Å; S75-Q145 PolarHBondContact OG-NE2 3Å
76V90.9Very high78Confident19 Ų1969.1 Ų69.112%0.11538%0.38CS..EExtended strand (participates in β ladder)trans-137.4137.3177.7179.40000109.1F74 L78 Y121 S143 I144F74-V76 HydrophobicContact CE1-CG2 3.99Å; F74-V76 HydrophobicContact CE2-CG2 3.87Å; F74-V76 HydrophobicContact CZ-CB 4.48Å; F74-V76 HydrophobicContact CZ-CG2 3.46Å; F74-V76 VanDerWaalsContact CZ-CG2 3.46Å; V76-L78 HydrophobicContact CG1-CD2 4.18Å; V76-L78 HydrophobicContact CG1-CG 4.05Å; V76-Y121 HydrophobicContact CG1-CD1 4.48Å; V76-Y121 HydrophobicContact CG1-CD2 4.38Å; V76-Y121 HydrophobicContact CG1-CE1 3.97Å; V76-Y121 HydrophobicContact CG1-CE2 3.87Å; V76-Y121 HydrophobicContact CG2-CD1 4.07Å; V76-Y121 HydrophobicContact CG2-CD2 4.44Å; V76-Y121 HydrophobicContact CG2-CE1 4.33Å; V76-Y121 HydrophobicContact CG2-CG 4.14Å; V76-S143 WeakPolarHBondContact O-CA 3.45Å; V76-I144 PolarHBondContact N-O 3.37Å; V76-I144 PolarHBondContact O-N 3.49Å
77L92.7Very high80.5Confident74 Ų7461.3 Ų61.339%0.38734%0.344SS..EExtended strand (participates in β ladder)trans-116.3134.7171.8-60.4179.5000110V141 L142L77-V141 HydrophobicContact CB-CG1 4.36Å; L77-V141 HydrophobicContact CD2-CG1 4.41Å; L77-L142 CarbonylContact C-O 3.54Å; L77-L142 WeakPolarHBondContact CA-O 3.45Å
78L92.3Very high82.8Confident1 Ų156.2 Ų56.21%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-131.2126.7-174.8-67.1178.1000110.6V76 V80 V99 Y121 V141 L142 I144V76-L78 HydrophobicContact CG1-CD2 4.18Å; V76-L78 HydrophobicContact CG1-CG 4.05Å; L78-V80 HydrophobicContact CB-CG1 4.05Å; L78-V80 PolarHBondContact O-N 2.86Å; L78-V99 HydrophobicContact CD1-CB 4.2Å; L78-V99 HydrophobicContact CD1-CG1 3.99Å; L78-V99 HydrophobicContact CD1-CG2 3.84Å; L78-Y121 HydrophobicContact CD1-CE2 4.44Å; L78-Y121 HydrophobicContact CD2-CE2 4.47Å; L78-Y121 VanDerWaalsContact CD2-OH 3.3Å; L78-Y121 WeakPolarHBondContact CD2-OH 3.36Å; L78-V141 CarbonylContact O-C 3.41Å; L78-V141 WeakPolarHBondContact O-CA 3.42Å; L78-L142 HydrophobicContact CB-CB 4.11Å; L78-L142 HydrophobicContact CD1-CD2 3.97Å; L78-L142 PolarHBondContact N-O 2.97Å; L78-L142 PolarHBondContact O-N 2.83Å; L78-I144 HydrophobicContact CD1-CD1 4.17Å
79D90.9Very high85.4Confident50 Ų5053.6 Ų53.627%0.26730%0.297SS..EExtended strand (participates in β ladder)trans-75.4115.9164.8-175.4-1.4000109.1K81D79-K81 WeakPolarHBondContact OD1-CB 3.33Å; D79-K81 WeakPolarHBondContact OD1-CD 3.36Å; D79-K81 VanDerWaalsContact OD1-CG 3.25Å; D79-K81 WeakPolarHBondContact OD1-CG 3.48Å; D79-K81 PolarHBondContact OD1-N 2.75Å; D79-K81 WeakPolarHBondContact OD2-CE 3.09Å; D79-K81 IonicContact OD2-NZ 3.2Å; D79-K81 PolarHBondContact OD2-NZ 2.87Å
80V93.4Very high87.6Confident1 Ų151 Ų511%0.00628%0.275CS..  trans-128.921.9179.5-59.10000111.5L78 H82 F83 I88 F117 L136 G140 L142L78-V80 HydrophobicContact CB-CG1 4.05Å; L78-V80 PolarHBondContact O-N 2.86Å; V80-H82 PolarHBondContact O-N 2.9Å; V80-F83 HydrophobicContact CB-CD2 4.15Å; V80-F83 PolarHBondContact O-N 2.79Å; V80-I88 HydrophobicContact CB-CD1 3.99Å; V80-I88 HydrophobicContact CG2-CD1 3.71Å; V80-F117 HydrophobicContact CG1-CE1 3.84Å; V80-F117 HydrophobicContact CG1-CZ 3.7Å; V80-L136 HydrophobicContact CG2-CD1 3.44Å; V80-L136 VanDerWaalsContact CG2-CD1 3.44Å; V80-G140 CarbonylContact C-O 3.52Å; V80-G140 VanDerWaalsContact CG2-O 3.29Å; V80-G140 WeakPolarHBondContact CG2-O 3.45Å; V80-G140 PolarHBondContact N-O 2.89Å; V80-L142 HydrophobicContact CG1-CB 4.1Å; V80-L142 HydrophobicContact CG1-CD2 4.44Å; V80-L142 HydrophobicContact CG2-CB 3.74Å
81K91.4Very high89.5Confident97 Ų9748 Ų4842%0.42226%0.256SS..THydrogen-bonded Turntrans-56.9-16.6-174.772.1-167173.3-140.30116.1D79 G140D79-K81 WeakPolarHBondContact OD1-CB 3.33Å; D79-K81 WeakPolarHBondContact OD1-CD 3.36Å; D79-K81 VanDerWaalsContact OD1-CG 3.25Å; D79-K81 WeakPolarHBondContact OD1-CG 3.48Å; D79-K81 PolarHBondContact OD1-N 2.75Å; D79-K81 WeakPolarHBondContact OD2-CE 3.09Å; D79-K81 IonicContact OD2-NZ 3.2Å; D79-K81 PolarHBondContact OD2-NZ 2.87Å; K81-G140 PolarHBondContact N-O 2.84Å
82H90.6Very high91.2Very high71 Ų7142 Ų4233%0.32922%0.217SC..THydrogen-bonded Turntrans-92.33.5178-59.6-59.1000113.8F33 V80F33-H82 HydrophobicContact CE2-CB 4.35Å; V80-H82 PolarHBondContact O-N 2.9Å
83F92Very high92.5Very high15 Ų1543.7 Ų43.77%0.06623%0.226CC..SBendtrans-120.9145.5177.3-58.7-83.4000110.9F33 V80 E87 I88 A101 H103 R115 F117F33-F83 AromaticContact CE1-CE2 3.87Å; F33-F83 HydrophobicContact CE1-CE2 3.87Å; F33-F83 AromaticContact CE1-CZ 3.69Å; F33-F83 HydrophobicContact CE1-CZ 3.69Å; F33-F83 HydrophobicContact CE2-CD2 4.18Å; F33-F83 AromaticContact CE2-CE2 3.29Å; F33-F83 HydrophobicContact CE2-CE2 3.29Å; F33-F83 AromaticContact CE2-CZ 3.89Å; F33-F83 HydrophobicContact CE2-CZ 3.89Å; F33-F83 HydrophobicContact CZ-CD2 4.13Å; F33-F83 HydrophobicContact CZ-CE1 4.2Å; F33-F83 AromaticContact CZ-CE2 2.94Å; F33-F83 HydrophobicContact CZ-CE2 2.94Å; F33-F83 AromaticContact CZ-CZ 3.03Å; F33-F83 HydrophobicContact CZ-CZ 3.03Å; V80-F83 HydrophobicContact CB-CD2 4.15Å; V80-F83 PolarHBondContact O-N 2.79Å; F83-E87 WeakPolarHBondContact CA-OE2 3.37Å; F83-E87 HydrophobicContact CB-CB 4.14Å; F83-E87 HydrophobicContact CD1-CB 4.14Å; F83-I88 HydrophobicContact CB-CD1 4Å; F83-I88 HydrophobicContact CB-CG1 3.8Å; F83-I88 HydrophobicContact CG-CG1 4.45Å; F83-A101 HydrophobicContact CD1-CB 3.8Å; F83-A101 HydrophobicContact CD2-CB 3.77Å; F83-A101 HydrophobicContact CE1-CB 3.62Å; F83-A101 WeakPolarHBondContact CE1-O 3.46Å; F83-A101 HydrophobicContact CE2-CB 3.56Å; F83-A101 HydrophobicContact CG-CB 3.82Å; F83-A101 HydrophobicContact CZ-CB 3.42Å; F83-A101 VanDerWaalsContact CZ-CB 3.42Å; F83-A101 WeakPolarHBondContact CZ-O 3.27Å; F83-H103 HydrophobicContact CD1-CB 3.85Å; F83-H103 HydrophobicContact CE1-CB 3.88Å; F83-R115 HydrophobicContact CE1-CB 4.33Å; F83-R115 HydrophobicContact CZ-CB 4.34Å; F83-F117 HydrophobicContact CD2-CD1 4.44Å; F83-F117 HydrophobicContact CD2-CE1 4Å; F83-F117 AromaticContact CE2-CD1 3.35Å; F83-F117 HydrophobicContact CE2-CD1 3.35Å; F83-F117 AromaticContact CE2-CE1 3.29Å; F83-F117 HydrophobicContact CE2-CE1 3.29Å; F83-F117 AromaticContact CZ-CD1 3.56Å; F83-F117 HydrophobicContact CZ-CD1 3.56Å; F83-F117 AromaticContact CZ-CE1 3.9Å; F83-F117 HydrophobicContact CZ-CE1 3.9Å
84S90.9Very high93Very high27 Ų2742.3 Ų42.319%0.18924%0.241CC..  trans-79.8159.8165.759.60000111.2E86 E87S84-E86 WeakPolarHBondContact CB-OE1 3.27Å; S84-E86 WeakPolarHBondContact CB-OE2 3.48Å; S84-E86 PolarHBondContact O-N 3.24Å; S84-E86 VanDerWaalsContact O-N 3.17Å; S84-E86 WeakPolarHBondContact OG-CG 3.49Å; S84-E86 PolarHBondContact OG-OE1 3.45Å; S84-E86 PolarHBondContact OG-OE2 3.27Å; S84-E87 PolarHBondContact N-OE2 3.19Å; S84-E87 VanDerWaalsContact N-OE2 3.14Å; S84-E87 WeakPolarHBondContact O-CB 3.25Å; S84-E87 PolarHBondContact O-N 3.01Å; S84-E87 VanDerWaalsContact OG-CG 3.27Å; S84-E87 WeakPolarHBondContact OG-CG 3.45Å
85P92.2Very high93.1Very high52 Ų5243.4 Ų43.434%0.33826%0.256SS..G310 helixtrans-54.5-35.2180-22.129.9000113.6E87 I88 L136P85-E87 VanDerWaalsContact C-N 3.3Å; P85-E87 PolarHBondContact O-N 3.22Å; P85-I88 PolarHBondContact O-N 2.98Å; P85-L136 HydrophobicContact CB-CD2 3.96Å; P85-L136 HydrophobicContact CG-CD2 3.76Å
86E93.3Very high93.2Very high148 Ų14843.2 Ų43.269%0.69225%0.249SC*.G310 helixtrans-73-19178.264-82.9-175.900114.3S84 I88S84-E86 WeakPolarHBondContact CB-OE1 3.27Å; S84-E86 WeakPolarHBondContact CB-OE2 3.48Å; S84-E86 PolarHBondContact O-N 3.24Å; S84-E86 VanDerWaalsContact O-N 3.17Å; S84-E86 WeakPolarHBondContact OG-CG 3.49Å; S84-E86 PolarHBondContact OG-OE1 3.45Å; S84-E86 PolarHBondContact OG-OE2 3.27Å; E86-I88 VanDerWaalsContact C-N 3.28Å
87E94.8Very high93.4Very high22 Ų2242.3 Ų42.310%0.10324%0.243CC..G310 helixtrans-84.4-5.8176-71170.9177.200112.3F83 S84 P85 A101 R102 H103 R106F83-E87 WeakPolarHBondContact CA-OE2 3.37Å; F83-E87 HydrophobicContact CB-CB 4.14Å; F83-E87 HydrophobicContact CD1-CB 4.14Å; S84-E87 PolarHBondContact N-OE2 3.19Å; S84-E87 VanDerWaalsContact N-OE2 3.14Å; S84-E87 WeakPolarHBondContact O-CB 3.25Å; S84-E87 PolarHBondContact O-N 3.01Å; S84-E87 VanDerWaalsContact OG-CG 3.27Å; S84-E87 WeakPolarHBondContact OG-CG 3.45Å; P85-E87 VanDerWaalsContact C-N 3.3Å; P85-E87 PolarHBondContact O-N 3.22Å; E87-A101 CarbonylContact O-C 3.49Å; E87-A101 VanDerWaalsContact O-CA 3.26Å; E87-A101 WeakPolarHBondContact O-CA 3.46Å; E87-R102 WeakPolarHBondContact CB-O 3.42Å; E87-R102 WeakPolarHBondContact CG-O 3.38Å; E87-R102 PolarHBondContact O-N 3.36Å; E87-H103 IonicContact OE1-CE1 2.74Å; E87-H103 IonicContact OE1-ND1 3.07Å; E87-H103 PolarHBondContact OE1-ND1 3.14Å; E87-H103 IonicContact OE2-CG 3.83Å; E87-H103 IonicContact OE2-ND1 2.71Å; E87-H103 PolarHBondContact OE2-ND1 2.98Å; E87-R106 IonicContact OE1-CZ 3.51Å; E87-R106 IonicContact OE1-NH1 2.76Å; E87-R106 PolarHBondContact OE1-NH1 3.17Å; E87-R106 IonicContact OE1-NH2 2.79Å; E87-R106 PolarHBondContact OE1-NH2 2.91Å
88I96.1Very high93.6Very high13 Ų1341 Ų417%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-110.2128-175.1-58.2161.9000110.1V7 V80 F83 P85 E86 V90 V99 A101 L136 L142V7-I88 HydrophobicContact CG2-CG2 4.1Å; V80-I88 HydrophobicContact CB-CD1 3.99Å; V80-I88 HydrophobicContact CG2-CD1 3.71Å; F83-I88 HydrophobicContact CB-CD1 4Å; F83-I88 HydrophobicContact CB-CG1 3.8Å; F83-I88 HydrophobicContact CG-CG1 4.45Å; P85-I88 PolarHBondContact O-N 2.98Å; E86-I88 VanDerWaalsContact C-N 3.28Å; I88-V90 HydrophobicContact CG2-CG2 4.33Å; I88-V99 HydrophobicContact CG2-CG1 4.48Å; I88-A101 HydrophobicContact CG1-CB 4.09Å; I88-L136 HydrophobicContact CD1-CD2 3.97Å; I88-L142 HydrophobicContact CG2-CD2 3.97Å
89S97.1Very high93.8Very high58 Ų5841.1 Ų41.141%0.40624%0.236SC..EExtended strand (participates in β ladder)trans-119.8128.3173-172.90000110.1V99 H100S89-V99 WeakPolarHBondContact O-CA 3.18Å; S89-H100 PolarHBondContact N-O 2.71Å; S89-H100 PolarHBondContact O-N 2.74Å
90V97.3Very high94.1Very high3 Ų341.6 Ų41.62%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-118132.1172.4-174.60000108.1V5 V7 I88 V97 E98 V99 L142 I144V5-V90 HydrophobicContact CB-CB 4.09Å; V5-V90 HydrophobicContact CB-CG1 3.86Å; V5-V90 HydrophobicContact CG1-CG1 4.28Å; V5-V90 HydrophobicContact CG2-CG1 4.34Å; V5-V90 PolarHBondContact N-O 2.76Å; V7-V90 HydrophobicContact CG2-CG2 3.86Å; I88-V90 HydrophobicContact CG2-CG2 4.33Å; V90-V97 HydrophobicContact CG1-CG1 3.99Å; V90-E98 WeakPolarHBondContact CA-O 3.45Å; V90-V99 HydrophobicContact CG1-CG2 4.42Å; V90-V99 HydrophobicContact CG2-CG1 4.35Å; V90-V99 HydrophobicContact CG2-CG2 4.36Å; V90-L142 HydrophobicContact CG2-CD2 3.99Å; V90-I144 HydrophobicContact CG1-CD1 3.93Å; V90-I144 HydrophobicContact CG2-CD1 4.29Å
91K97Very high94.3Very high60 Ų6041.6 Ų41.626%0.26124%0.236SC..EExtended strand (participates in β ladder)trans-146.8154.2179.263.1-175.6-167.3170.80111.9E2 I3 V93 V97 E98E2-K91 HydrophobicContact CG-CD 4.48Å; E2-K91 VanDerWaalsContact OE1-CD 3.24Å; E2-K91 WeakPolarHBondContact OE1-CD 3.3Å; E2-K91 IonicContact OE1-NZ 3.88Å; E2-K91 PolarHBondContact OE1-NZ 2.75Å; I3-K91 CarbonylContact O-C 3.55Å; I3-K91 WeakPolarHBondContact O-CA 3.25Å; K91-V93 HydrophobicContact CD-CG2 3.93Å; K91-V93 HydrophobicContact CG-CG2 3.98Å; K91-V97 CarbonylContact O-C 3.5Å; K91-V97 WeakPolarHBondContact O-CA 3.39Å; K91-E98 WeakPolarHBondContact CE-OE2 3.39Å; K91-E98 HydrophobicContact CG-CB 3.83Å; K91-E98 PolarHBondContact N-O 3.39Å; K91-E98 IonicContact NZ-OE2 3.75Å; K91-E98 PolarHBondContact O-N 3.44Å
92V95.9Very high94.5Very high4 Ų443.1 Ų43.12%0.02424%0.24CC..EExtended strand (participates in β ladder)trans-106.4118.6171.6-170.80000109E2 I3 V5 H96 V97 L123 P129 V132E2-V92 WeakPolarHBondContact CA-O 3.37Å; I3-V92 HydrophobicContact CB-CB 4.31Å; I3-V92 PolarHBondContact N-O 2.83Å; I3-V92 PolarHBondContact O-N 2.97Å; V5-V92 HydrophobicContact CG2-CG2 3.77Å; V92-H96 CarbonylContact C-O 3.52Å; V92-H96 VanDerWaalsContact CA-O 3.26Å; V92-H96 WeakPolarHBondContact CA-O 3.2Å; V92-H96 WeakPolarHBondContact CG1-O 3.3Å; V92-V97 HydrophobicContact CG2-CG2 4.39Å; V92-L123 HydrophobicContact CG1-CD1 3.51Å; V92-P129 HydrophobicContact CG1-CB 3.98Å; V92-V132 HydrophobicContact CG2-CB 4.07Å; V92-V132 HydrophobicContact CG2-CG1 4.24Å; V92-V132 HydrophobicContact CG2-CG2 3.99Å
93V94.8Very high94.7Very high41 Ų4140.9 Ų40.925%0.24823%0.229CC..EExtended strand (participates in β ladder)trans-133.8122.8-178.7-177.30000109.2E2 K91 G95 H96E2-V93 HydrophobicContact CB-CG2 4.17Å; E2-V93 HydrophobicContact CG-CG2 3.86Å; K91-V93 HydrophobicContact CD-CG2 3.93Å; K91-V93 HydrophobicContact CG-CG2 3.98Å; V93-G95 VanDerWaalsContact C-N 3.33Å; V93-G95 PolarHBondContact O-N 2.88Å; V93-H96 PolarHBondContact N-O 2.8Å; V93-H96 WeakPolarHBondContact O-CB 3.39Å; V93-H96 PolarHBondContact O-N 3.12Å
94G89.4Confident94.8Very high66 Ų6646 Ų4668%0.6825%0.253SS*.THydrogen-bonded Turntrans54.943.6170.900000114.3H96G94-H96 VanDerWaalsContact C-N 3.27Å; G94-H96 PolarHBondContact O-N 2.8Å; G94-H96 PolarHBondContact O-ND1 3.41Å
95G90.1Very high94.9Very high37 Ų3751.4 Ų51.438%0.38128%0.276SS..THydrogen-bonded Turntrans74.413.6-179.100000114.5V93 L123V93-G95 VanDerWaalsContact C-N 3.33Å; V93-G95 PolarHBondContact O-N 2.88Å; G95-L123 WeakPolarHBondContact O-CB 3.26Å; G95-L123 PolarHBondContact O-N 2.87Å
96H94.1Very high94.8Very high48 Ų4854.1 Ų54.122%0.22228%0.279CS..EExtended strand (participates in β ladder)trans-122.6144.8175.3-60.974.1000111.2V92 V93 G94 R120 Y121V92-H96 CarbonylContact C-O 3.52Å; V92-H96 VanDerWaalsContact CA-O 3.26Å; V92-H96 WeakPolarHBondContact CA-O 3.2Å; V92-H96 WeakPolarHBondContact CG1-O 3.3Å; V93-H96 PolarHBondContact N-O 2.8Å; V93-H96 WeakPolarHBondContact O-CB 3.39Å; V93-H96 PolarHBondContact O-N 3.12Å; G94-H96 VanDerWaalsContact C-N 3.27Å; G94-H96 PolarHBondContact O-N 2.8Å; G94-H96 PolarHBondContact O-ND1 3.41Å; H96-R120 HydrophobicContact CB-CG 3.53Å; H96-Y121 CarbonylContact C-O 3.55Å; H96-Y121 WeakPolarHBondContact CA-O 3.18Å; H96-Y121 WeakPolarHBondContact CB-O 3.39Å
97V95.4Very high94.7Very high0 Ų051.8 Ų51.80%028%0.277CS..EExtended strand (participates in β ladder)trans-86118.1162.3-178.80000107.9F74 V90 K91 V92 V99 R120 Y121 L123 V132 I144F74-V97 HydrophobicContact CE1-CB 4.37Å; F74-V97 HydrophobicContact CE1-CG2 3.68Å; F74-V97 HydrophobicContact CZ-CB 4.11Å; F74-V97 HydrophobicContact CZ-CG2 3.71Å; V90-V97 HydrophobicContact CG1-CG1 3.99Å; K91-V97 CarbonylContact O-C 3.5Å; K91-V97 WeakPolarHBondContact O-CA 3.39Å; V92-V97 HydrophobicContact CG2-CG2 4.39Å; V97-V99 HydrophobicContact CG1-CG2 4.39Å; V97-R120 CarbonylContact O-C 3.6Å; V97-R120 WeakPolarHBondContact O-CA 3.35Å; V97-Y121 PolarHBondContact N-O 3.25Å; V97-Y121 PolarHBondContact O-N 2.92Å; V97-L123 HydrophobicContact CG2-CD1 4.29Å; V97-L123 HydrophobicContact CG2-CD2 3.64Å; V97-L123 HydrophobicContact CG2-CG 3.9Å; V97-V132 HydrophobicContact CG2-CG1 4.32Å; V97-I144 HydrophobicContact CG1-CD1 4.06Å; V97-I144 HydrophobicContact CG1-CG2 4.1Å
98E96.7Very high94.3Very high48 Ų4853.9 Ų53.922%0.22429%0.289CS..EExtended strand (participates in β ladder)trans-104.4130.8174.1-69.2-178.9175.700109.5V90 K91 R119 R120V90-E98 WeakPolarHBondContact CA-O 3.45Å; K91-E98 WeakPolarHBondContact CE-OE2 3.39Å; K91-E98 HydrophobicContact CG-CB 3.83Å; K91-E98 PolarHBondContact N-O 3.39Å; K91-E98 IonicContact NZ-OE2 3.75Å; K91-E98 PolarHBondContact O-N 3.44Å; E98-R119 CarbonylContact C-O 3.6Å; E98-R119 WeakPolarHBondContact CA-O 3.48Å; E98-R120 HydrophobicContact CG-CB 4.25Å; E98-R120 HydrophobicContact CG-CG 3.68Å; E98-R120 VanDerWaalsContact OE1-CD 3.25Å; E98-R120 WeakPolarHBondContact OE1-CD 3.32Å; E98-R120 IonicContact OE1-NH1 3.98Å
99V97Very high93.9Very high3 Ų361.6 Ų61.62%0.01833%0.325CS..EExtended strand (participates in β ladder)trans-119.2121.1175-173.70000107.6L78 I88 S89 V90 V97 F117 H118 R119 L142 I144L78-V99 HydrophobicContact CD1-CB 4.2Å; L78-V99 HydrophobicContact CD1-CG1 3.99Å; L78-V99 HydrophobicContact CD1-CG2 3.84Å; I88-V99 HydrophobicContact CG2-CG1 4.48Å; S89-V99 WeakPolarHBondContact O-CA 3.18Å; V90-V99 HydrophobicContact CG1-CG2 4.42Å; V90-V99 HydrophobicContact CG2-CG1 4.35Å; V90-V99 HydrophobicContact CG2-CG2 4.36Å; V97-V99 HydrophobicContact CG1-CG2 4.39Å; V99-F117 HydrophobicContact CB-CE2 4.2Å; V99-F117 HydrophobicContact CG1-CE2 3.7Å; V99-F117 HydrophobicContact CG1-CZ 3.95Å; V99-H118 CarbonylContact O-C 3.54Å; V99-H118 WeakPolarHBondContact O-CA 3.47Å; V99-R119 HydrophobicContact CB-CB 4.45Å; V99-R119 PolarHBondContact N-O 3.31Å; V99-R119 PolarHBondContact O-N 3.06Å; V99-L142 HydrophobicContact CG1-CD2 3.98Å; V99-I144 HydrophobicContact CG2-CD1 3.41Å; V99-I144 VanDerWaalsContact CG2-CD1 3.41Å
100H97.5Very high93.4Very high60 Ų6066.1 Ų66.128%0.27834%0.339SS..EExtended strand (participates in β ladder)trans-117.5127.1173.6177.7-142000108.2S89 E116 F117 H118S89-H100 PolarHBondContact N-O 2.71Å; S89-H100 PolarHBondContact O-N 2.74Å; H100-E116 IonicContact CD2-OE1 3.67Å; H100-E116 IonicContact CE1-OE1 3.4Å; H100-E116 IonicContact NE2-OE1 2.87Å; H100-E116 PolarHBondContact NE2-OE1 2.72Å; H100-F117 WeakPolarHBondContact CA-O 3.21Å; H100-F117 PolarHBondContact CD2-O 3.2Å; H100-H118 AromaticContact CD2-CD2 3.86Å; H100-H118 AromaticContact CD2-CE1 2.92Å; H100-H118 PolarHBondContact CD2-CE1 2.96Å; H100-H118 AromaticContact CD2-CG 3.9Å; H100-H118 AromaticContact CD2-ND1 3.35Å; H100-H118 PolarHBondContact CD2-ND1 2.92Å; H100-H118 VanDerWaalsContact CD2-ND1 3.35Å; H100-H118 AromaticContact CD2-NE2 3.24Å; H100-H118 PolarHBondContact CD2-NE2 2.8Å; H100-H118 AromaticContact CE1-CE1 3.9Å; H100-H118 AromaticContact CG-CE1 3.65Å; H100-H118 AromaticContact CG-ND1 3.89Å; H100-H118 AromaticContact NE2-CE1 3.1Å; H100-H118 PolarHBondContact NE2-CE1 2.85Å; H100-H118 AromaticContact NE2-ND1 3.99Å; H100-H118 AromaticContact NE2-NE2 3.24Å; H100-H118 PolarHBondContact NE2-NE2 3.39Å
101A96.3Very high93.1Very high0 Ų067.6 Ų67.60%036%0.355CS..EExtended strand (participates in β ladder)trans-130.8128.317300000109.2F83 E87 I88 E116 F117F83-A101 HydrophobicContact CD1-CB 3.8Å; F83-A101 HydrophobicContact CD2-CB 3.77Å; F83-A101 HydrophobicContact CE1-CB 3.62Å; F83-A101 WeakPolarHBondContact CE1-O 3.46Å; F83-A101 HydrophobicContact CE2-CB 3.56Å; F83-A101 HydrophobicContact CG-CB 3.82Å; F83-A101 HydrophobicContact CZ-CB 3.42Å; F83-A101 VanDerWaalsContact CZ-CB 3.42Å; F83-A101 WeakPolarHBondContact CZ-O 3.27Å; E87-A101 CarbonylContact O-C 3.49Å; E87-A101 VanDerWaalsContact O-CA 3.26Å; E87-A101 WeakPolarHBondContact O-CA 3.46Å; I88-A101 HydrophobicContact CG1-CB 4.09Å; A101-E116 CarbonylContact O-C 3.57Å; A101-E116 VanDerWaalsContact O-CA 3.25Å; A101-E116 WeakPolarHBondContact O-CA 3.43Å; A101-F117 HydrophobicContact CB-CD1 3.75Å; A101-F117 HydrophobicContact CB-CE1 3.34Å; A101-F117 HydrophobicContact CB-CE2 4.32Å; A101-F117 HydrophobicContact CB-CG 4.4Å; A101-F117 HydrophobicContact CB-CZ 3.65Å; A101-F117 PolarHBondContact N-O 2.78Å; A101-F117 PolarHBondContact O-N 3.15Å
102R96.3Very high92.8Very high130 Ų13072.6 Ų72.649%0.49137%0.373SS..EExtended strand (participates in β ladder)trans-137.7116.6-175.4-174.6176.7176.2-165.6-4.8111.7E87 E116E87-R102 WeakPolarHBondContact CB-O 3.42Å; E87-R102 WeakPolarHBondContact CG-O 3.38Å; E87-R102 PolarHBondContact O-N 3.36Å; R102-E116 HydrophobicContact CB-CG 4.12Å; R102-E116 HydrophobicContact CG-CB 4.36Å; R102-E116 HydrophobicContact CG-CG 4.12Å; R102-E116 IonicContact NE-OE2 2.72Å
103H94.3Very high92.4Very high24 Ų2474.6 Ų74.611%0.11138%0.383CS..EExtended strand (participates in β ladder)trans-104.6115172.6-172.582.9000108.3F83 E87 R106 A114 R115F83-H103 HydrophobicContact CD1-CB 3.85Å; F83-H103 HydrophobicContact CE1-CB 3.88Å; E87-H103 IonicContact OE1-CE1 2.74Å; E87-H103 IonicContact OE1-ND1 3.07Å; E87-H103 PolarHBondContact OE1-ND1 3.14Å; E87-H103 IonicContact OE2-CG 3.83Å; E87-H103 IonicContact OE2-ND1 2.71Å; E87-H103 PolarHBondContact OE2-ND1 2.98Å; H103-R106 PolarHBondContact CE1-NH1 3.49Å; H103-R106 VanDerWaalsContact CE1-NH1 3.31Å; H103-A114 WeakPolarHBondContact O-CA 3.27Å; H103-R115 HydrophobicContact CB-CB 4.12Å; H103-R115 PolarHBondContact N-O 2.87Å; H103-R115 PolarHBondContact O-N 3.3Å
104E94Very high92.4Very high122 Ų12275.5 Ų75.557%0.5740%0.395SS*.EExtended strand (participates in β ladder)trans-66.1166.3175.6-63.2-167.7153.700111.7R106E104-R106 PolarHBondContact O-N 3.17Å; E104-R106 VanDerWaalsContact O-N 3.12Å
105E94.3Very high92.5Very high141 Ų14175.6 Ų75.666%0.65938%0.375SS*.EExtended strand (participates in β ladder)trans-61.1116.5178.5-170.8175.410800110.8Y112 I113 A114E105-Y112 HydrophobicContact CG-CD1 4.23Å; E105-Y112 HydrophobicContact CG-CG 4.39Å; E105-I113 WeakPolarHBondContact CA-O 3.37Å; E105-A114 HydrophobicContact CB-CB 4.2Å
106R89.8Confident92.7Very high108 Ų10878.2 Ų78.241%0.40838%0.377SS..EExtended strand (participates in β ladder)trans-131.1149.1176.3-67.4-173.6-173.214413.3110.8E87 H103 E104 D108 Y112 I113E87-R106 IonicContact OE1-CZ 3.51Å; E87-R106 IonicContact OE1-NH1 2.76Å; E87-R106 PolarHBondContact OE1-NH1 3.17Å; E87-R106 IonicContact OE1-NH2 2.79Å; E87-R106 PolarHBondContact OE1-NH2 2.91Å; H103-R106 PolarHBondContact CE1-NH1 3.49Å; H103-R106 VanDerWaalsContact CE1-NH1 3.31Å; E104-R106 PolarHBondContact O-N 3.17Å; E104-R106 VanDerWaalsContact O-N 3.12Å; R106-D108 PolarHBondContact O-N 2.86Å; R106-Y112 CarbonylContact O-C 3.48Å; R106-Y112 WeakPolarHBondContact O-CA 3.29Å; R106-I113 PolarHBondContact N-O 3.3Å; R106-I113 PolarHBondContact O-N 3.31Å
107P90.4Very high92.7Very high100 Ų10076.6 Ų76.665%0.64937%0.37SS*.EExtended strand (participates in β ladder)trans-63.3136.5174.526.3-32.8000110.6G111 Y112P107-G111 CarbonylContact C-O 3.53Å; P107-G111 VanDerWaalsContact CA-O 3.25Å; P107-G111 WeakPolarHBondContact CA-O 3.35Å; P107-Y112 HydrophobicContact CB-CD1 4.26Å; P107-Y112 HydrophobicContact CB-CE1 4.11Å
108D86.4Confident92.7Very high65 Ų6582.7 Ų82.735%0.34840%0.398SS..EExtended strand (participates in β ladder)trans-124.9-172.517378.33.6000111.1R106 H110 G111 I113R106-D108 PolarHBondContact O-N 2.86Å; D108-H110 PolarHBondContact O-N 2.85Å; D108-H110 PolarHBondContact OD1-N 3.36Å; D108-G111 PolarHBondContact N-O 3.22Å; D108-G111 PolarHBondContact OD1-N 3.11Å; D108-I113 HydrophobicContact CB-CG2 3.83Å; D108-I113 WeakPolarHBondContact OD2-CG2 3.45Å
109E87.4Confident92.5Very high175 Ų17582.8 Ų82.882%0.81840%0.396SS*.THydrogen-bonded Turntrans-58.5-27.3-178.9-175.4-179.9-17800113.6
110H86.8Confident92.4Very high153 Ų15390.4 Ų90.471%0.70843%0.425SS*.THydrogen-bonded Turntrans-119.23.1-170.4-5992.2000113.8D108D108-H110 PolarHBondContact O-N 2.85Å; D108-H110 PolarHBondContact OD1-N 3.36Å
111G90.5Very high92.2Very high34 Ų3489.8 Ų89.835%0.35142%0.42SS..EExtended strand (participates in β ladder)trans150-123.2-178.600000111.5P107 D108P107-G111 CarbonylContact C-O 3.53Å; P107-G111 VanDerWaalsContact CA-O 3.25Å; P107-G111 WeakPolarHBondContact CA-O 3.35Å; D108-G111 PolarHBondContact N-O 3.22Å; D108-G111 PolarHBondContact OD1-N 3.11Å
112Y90.4Very high92.1Very high165 Ų16595.7 Ų95.765%0.64745%0.451SS*.EExtended strand (participates in β ladder)trans-125.7144178.7-66.9-95000109.4E105 R106 P107E105-Y112 HydrophobicContact CG-CD1 4.23Å; E105-Y112 HydrophobicContact CG-CG 4.39Å; R106-Y112 CarbonylContact O-C 3.48Å; R106-Y112 WeakPolarHBondContact O-CA 3.29Å; P107-Y112 HydrophobicContact CB-CD1 4.26Å; P107-Y112 HydrophobicContact CB-CE1 4.11Å
113I89.6Confident91.8Very high46 Ų4690.3 Ų90.324%0.23643%0.432CS..EExtended strand (participates in β ladder)trans-138.6133.9-179.5-164.8142.9000112.1E105 R106 D108 R115E105-I113 WeakPolarHBondContact CA-O 3.37Å; R106-I113 PolarHBondContact N-O 3.3Å; R106-I113 PolarHBondContact O-N 3.31Å; D108-I113 HydrophobicContact CB-CG2 3.83Å; D108-I113 WeakPolarHBondContact OD2-CG2 3.45Å; I113-R115 HydrophobicContact CG1-CG 4.2Å; I113-R115 VanDerWaalsContact CG2-NH1 3.29Å
114A92.8Very high91.5Very high61 Ų6190.4 Ų90.450%0.50444%0.435SS..EExtended strand (participates in β ladder)trans-121.5145.9167.900000108.4H103 E105H103-A114 WeakPolarHBondContact O-CA 3.27Å; E105-A114 HydrophobicContact CB-CB 4.2Å
115R92.1Very high91Very high67 Ų6790.6 Ų90.625%0.25345%0.447SS..EExtended strand (participates in β ladder)trans-140.2140.9179-58.5-178.8-179.880.3-3110.1F33 F83 H103 I113F33-R115 HydrophobicContact CE1-CB 4.43Å; F33-R115 HydrophobicContact CZ-CB 3.96Å; F83-R115 HydrophobicContact CE1-CB 4.33Å; F83-R115 HydrophobicContact CZ-CB 4.34Å; H103-R115 HydrophobicContact CB-CB 4.12Å; H103-R115 PolarHBondContact N-O 2.87Å; H103-R115 PolarHBondContact O-N 3.3Å; I113-R115 HydrophobicContact CG1-CG 4.2Å; I113-R115 VanDerWaalsContact CG2-NH1 3.29Å
116E95.2Very high90.5Very high92 Ų9287 Ų8743%0.4345%0.448SS..EExtended strand (participates in β ladder)trans-148.7136.6175.1-173.8170.4179.800109.9H100 A101 R102 H118H100-E116 IonicContact CD2-OE1 3.67Å; H100-E116 IonicContact CE1-OE1 3.4Å; H100-E116 IonicContact NE2-OE1 2.87Å; H100-E116 PolarHBondContact NE2-OE1 2.72Å; A101-E116 CarbonylContact O-C 3.57Å; A101-E116 VanDerWaalsContact O-CA 3.25Å; A101-E116 WeakPolarHBondContact O-CA 3.43Å; R102-E116 HydrophobicContact CB-CG 4.12Å; R102-E116 HydrophobicContact CG-CB 4.36Å; R102-E116 HydrophobicContact CG-CG 4.12Å; R102-E116 IonicContact NE-OE2 2.72Å; E116-H118 IonicContact OE1-CD2 3.56Å; E116-H118 IonicContact OE1-CE1 2.77Å; E116-H118 IonicContact OE1-NE2 2.91Å; E116-H118 PolarHBondContact OE1-NE2 2.76Å
117F93.7Very high90.3Very high14 Ų1482.5 Ų82.56%0.06143%0.432CS..EExtended strand (participates in β ladder)trans-136.8151.9167.479.3-103.8000112.4F33 V80 F83 V99 H100 A101 R119F33-F117 HydrophobicContact CD1-CB 3.84Å; F33-F117 AromaticContact CD1-CD1 3.98Å; F33-F117 HydrophobicContact CD1-CD1 3.98Å; F33-F117 HydrophobicContact CD1-CG 4.32Å; F33-F117 HydrophobicContact CE1-CB 3.66Å; F33-F117 AromaticContact CE1-CD1 3.48Å; F33-F117 HydrophobicContact CE1-CD1 3.48Å; F33-F117 VanDerWaalsContact CE1-CD1 3.48Å; F33-F117 HydrophobicContact CE1-CG 4.04Å; F33-F117 HydrophobicContact CE2-CD1 4.27Å; F33-F117 AromaticContact CZ-CD1 3.75Å; F33-F117 HydrophobicContact CZ-CD1 3.75Å; V80-F117 HydrophobicContact CG1-CE1 3.84Å; V80-F117 HydrophobicContact CG1-CZ 3.7Å; F83-F117 HydrophobicContact CD2-CD1 4.44Å; F83-F117 HydrophobicContact CD2-CE1 4Å; F83-F117 AromaticContact CE2-CD1 3.35Å; F83-F117 HydrophobicContact CE2-CD1 3.35Å; F83-F117 AromaticContact CE2-CE1 3.29Å; F83-F117 HydrophobicContact CE2-CE1 3.29Å; F83-F117 AromaticContact CZ-CD1 3.56Å; F83-F117 HydrophobicContact CZ-CD1 3.56Å; F83-F117 AromaticContact CZ-CE1 3.9Å; F83-F117 HydrophobicContact CZ-CE1 3.9Å; V99-F117 HydrophobicContact CB-CE2 4.2Å; V99-F117 HydrophobicContact CG1-CE2 3.7Å; V99-F117 HydrophobicContact CG1-CZ 3.95Å; H100-F117 WeakPolarHBondContact CA-O 3.21Å; H100-F117 PolarHBondContact CD2-O 3.2Å; A101-F117 HydrophobicContact CB-CD1 3.75Å; A101-F117 HydrophobicContact CB-CE1 3.34Å; A101-F117 HydrophobicContact CB-CE2 4.32Å; A101-F117 HydrophobicContact CB-CG 4.4Å; A101-F117 HydrophobicContact CB-CZ 3.65Å; A101-F117 PolarHBondContact N-O 2.78Å; A101-F117 PolarHBondContact O-N 3.15Å; F117-R119 HydrophobicContact CD2-CB 4.33Å; F117-R119 HydrophobicContact CD2-CG 3.8Å; F117-R119 HydrophobicContact CE2-CB 4.34Å; F117-R119 HydrophobicContact CE2-CG 4.09Å
118H94.8Very high90.2Very high128 Ų12881.3 Ų81.359%0.59342%0.42SS*.EExtended strand (participates in β ladder)trans-129121.7174.6-65.6-99.5000108.6V99 H100 E116V99-H118 CarbonylContact O-C 3.54Å; V99-H118 WeakPolarHBondContact O-CA 3.47Å; H100-H118 AromaticContact CD2-CD2 3.86Å; H100-H118 AromaticContact CD2-CE1 2.92Å; H100-H118 PolarHBondContact CD2-CE1 2.96Å; H100-H118 AromaticContact CD2-CG 3.9Å; H100-H118 AromaticContact CD2-ND1 3.35Å; H100-H118 PolarHBondContact CD2-ND1 2.92Å; H100-H118 VanDerWaalsContact CD2-ND1 3.35Å; H100-H118 AromaticContact CD2-NE2 3.24Å; H100-H118 PolarHBondContact CD2-NE2 2.8Å; H100-H118 AromaticContact CE1-CE1 3.9Å; H100-H118 AromaticContact CG-CE1 3.65Å; H100-H118 AromaticContact CG-ND1 3.89Å; H100-H118 AromaticContact NE2-CE1 3.1Å; H100-H118 PolarHBondContact NE2-CE1 2.85Å; H100-H118 AromaticContact NE2-ND1 3.99Å; H100-H118 AromaticContact NE2-NE2 3.24Å; H100-H118 PolarHBondContact NE2-NE2 3.39Å; E116-H118 IonicContact OE1-CD2 3.56Å; E116-H118 IonicContact OE1-CE1 2.77Å; E116-H118 IonicContact OE1-NE2 2.91Å; E116-H118 PolarHBondContact OE1-NE2 2.76Å
119R93.8Very high90.4Very high50 Ų5080.5 Ų80.519%0.18942%0.419CS..EExtended strand (participates in β ladder)trans-127.9139.8177.8-74.4-177.5129.7-156.9-22.3110.6G34 E35 E98 V99 F117 Y121G34-R119 PolarHBondContact O-NE 2.77Å; G34-R119 PolarHBondContact O-NH1 3.1Å; G34-R119 PolarHBondContact O-NH2 2.92Å; E35-R119 VanDerWaalsContact C-NH2 3.32Å; E35-R119 PolarHBondContact O-NH1 2.96Å; E98-R119 CarbonylContact C-O 3.6Å; E98-R119 WeakPolarHBondContact CA-O 3.48Å; V99-R119 HydrophobicContact CB-CB 4.45Å; V99-R119 PolarHBondContact N-O 3.31Å; V99-R119 PolarHBondContact O-N 3.06Å; F117-R119 HydrophobicContact CD2-CB 4.33Å; F117-R119 HydrophobicContact CD2-CG 3.8Å; F117-R119 HydrophobicContact CE2-CB 4.34Å; F117-R119 HydrophobicContact CE2-CG 4.09Å; R119-Y121 HydrophobicContact CB-CE2 3.91Å; R119-Y121 WeakPolarHBondContact CD-OH 3.37Å; R119-Y121 PolarHBondContact NE-OH 3.17Å; R119-Y121 PolarHBondContact NH1-OH 2.92Å; R119-Y121 VanDerWaalsContact NH1-OH 3.16Å
120R94.8Very high90.5Very high163 Ų16375.5 Ų75.562%0.61541%0.407SS*.EExtended strand (participates in β ladder)trans-131.9127-179.6-168.5170.272.4-179.72.4110.6H96 V97 E98H96-R120 HydrophobicContact CB-CG 3.53Å; V97-R120 CarbonylContact O-C 3.6Å; V97-R120 WeakPolarHBondContact O-CA 3.35Å; E98-R120 HydrophobicContact CG-CB 4.25Å; E98-R120 HydrophobicContact CG-CG 3.68Å; E98-R120 VanDerWaalsContact OE1-CD 3.25Å; E98-R120 WeakPolarHBondContact OE1-CD 3.32Å; E98-R120 IonicContact OE1-NH1 3.98Å
121Y93.6Very high90.6Very high47 Ų4769.4 Ų69.418%0.18438%0.384CS..EExtended strand (participates in β ladder)trans-117.5130.5-179.6-61.2-79.3000109.9F74 V76 L78 H96 V97 R119F74-Y121 HydrophobicContact CZ-CG 4.38Å; V76-Y121 HydrophobicContact CG1-CD1 4.48Å; V76-Y121 HydrophobicContact CG1-CD2 4.38Å; V76-Y121 HydrophobicContact CG1-CE1 3.97Å; V76-Y121 HydrophobicContact CG1-CE2 3.87Å; V76-Y121 HydrophobicContact CG2-CD1 4.07Å; V76-Y121 HydrophobicContact CG2-CD2 4.44Å; V76-Y121 HydrophobicContact CG2-CE1 4.33Å; V76-Y121 HydrophobicContact CG2-CG 4.14Å; L78-Y121 HydrophobicContact CD1-CE2 4.44Å; L78-Y121 HydrophobicContact CD2-CE2 4.47Å; L78-Y121 VanDerWaalsContact CD2-OH 3.3Å; L78-Y121 WeakPolarHBondContact CD2-OH 3.36Å; H96-Y121 CarbonylContact C-O 3.55Å; H96-Y121 WeakPolarHBondContact CA-O 3.18Å; H96-Y121 WeakPolarHBondContact CB-O 3.39Å; V97-Y121 PolarHBondContact N-O 3.25Å; V97-Y121 PolarHBondContact O-N 2.92Å; R119-Y121 HydrophobicContact CB-CE2 3.91Å; R119-Y121 WeakPolarHBondContact CD-OH 3.37Å; R119-Y121 PolarHBondContact NE-OH 3.17Å; R119-Y121 PolarHBondContact NH1-OH 2.92Å; R119-Y121 VanDerWaalsContact NH1-OH 3.16Å
122L92.3Very high90.7Very high125 Ų12568.3 Ų68.365%0.65437%0.37SS*.EExtended strand (participates in β ladder)trans-70.9130172.7-17668000109.4
123L90.6Very high90.9Very high16 Ų1664.4 Ų64.48%0.08436%0.363CS..PPolyproline II helixtrans-75.1132.5171.7-76.7168.3000110F74 V92 G95 V97 V127 V132F74-L123 HydrophobicContact CB-CD2 4.45Å; F74-L123 HydrophobicContact CD1-CD2 4.12Å; F74-L123 HydrophobicContact CD2-CD2 4.08Å; F74-L123 HydrophobicContact CE1-CD2 4.38Å; F74-L123 HydrophobicContact CE2-CD2 4.31Å; F74-L123 HydrophobicContact CG-CD2 3.96Å; F74-L123 HydrophobicContact CZ-CD2 4.46Å; V92-L123 HydrophobicContact CG1-CD1 3.51Å; G95-L123 WeakPolarHBondContact O-CB 3.26Å; G95-L123 PolarHBondContact O-N 2.87Å; V97-L123 HydrophobicContact CG2-CD1 4.29Å; V97-L123 HydrophobicContact CG2-CD2 3.64Å; V97-L123 HydrophobicContact CG2-CG 3.9Å; L123-V127 HydrophobicContact CD2-CG1 4.02Å; L123-V132 HydrophobicContact CD1-CG2 4.46Å; L123-V132 HydrophobicContact CD2-CG2 4.1Å
124P89.4Confident91.1Very high27 Ų2762.4 Ų62.418%0.17535%0.354CS..PPolyproline II helixtrans-58.1149.1171.8-23.832.8000112A69 F74 G126 V127A69-P124 HydrophobicContact CB-CG 4.32Å; F74-P124 HydrophobicContact CD2-CG 4.35Å; P124-G126 PolarHBondContact O-N 3.19Å; P124-V127 HydrophobicContact CB-CG2 4.09Å; P124-V127 HydrophobicContact CG-CG2 4.31Å; P124-V127 PolarHBondContact O-N 3.29Å
125P83.5Confident91.2Very high125 Ų12560.8 Ų60.881%0.81234%0.34SS*.THydrogen-bonded Turntrans-60.8135.7173.826.7-33.6000110.5
126G82.3Confident91.3Very high67 Ų6758.3 Ų58.369%0.69133%0.332SS*.THydrogen-bonded Turntrans90.4-5.8179.600000115.3P124P124-G126 PolarHBondContact O-N 3.19Å
127V86Confident91.1Very high12 Ų1255.2 Ų55.27%0.07332%0.32CS..  trans-78.6126.8167.8176.10000109.2F74 L123 P124 P129 A146F74-V127 HydrophobicContact CB-CG2 4.38Å; L123-V127 HydrophobicContact CD2-CG1 4.02Å; P124-V127 HydrophobicContact CB-CG2 4.09Å; P124-V127 HydrophobicContact CG-CG2 4.31Å; P124-V127 PolarHBondContact O-N 3.29Å; V127-P129 WeakPolarHBondContact O-CD 3.43Å; V127-A146 HydrophobicContact CG1-CB 3.35Å
128D87.9Confident90.8Very high75 Ų7558.9 Ų58.940%0.40135%0.346SS..  trans-73121.1172.6179.29.1000109.9A130 A131D128-A130 PolarHBondContact O-N 2.72Å; D128-A130 VanDerWaalsContact O-N 3.14Å; D128-A130 PolarHBondContact OD1-N 3.46Å; D128-A131 HydrophobicContact CB-CB 3.97Å; D128-A131 WeakPolarHBondContact O-CB 3.48Å; D128-A131 PolarHBondContact O-N 2.61Å
129P90.9Very high90.6Very high49 Ų4959.3 Ų59.332%0.31835%0.348SS..G310 helixtrans-52.2-31.5173.3-29.938.6000114.3I3 V92 V127 A131 V132I3-P129 HydrophobicContact CD1-CB 3.74Å; V92-P129 HydrophobicContact CG1-CB 3.98Å; V127-P129 WeakPolarHBondContact O-CD 3.43Å; P129-A131 VanDerWaalsContact C-N 3.32Å; P129-V132 WeakPolarHBondContact O-CG2 3.25Å
130A89.9Confident90.4Very high70 Ų7057.4 Ų57.458%0.57934%0.344SS*.G310 helixtrans-77.7-17.3179.200000113.3D128 V132D128-A130 PolarHBondContact O-N 2.72Å; D128-A130 VanDerWaalsContact O-N 3.14Å; D128-A130 PolarHBondContact OD1-N 3.46Å; A130-V132 VanDerWaalsContact C-N 3.3Å
131A89.2Confident90.3Very high25 Ų2551.6 Ų51.621%0.20733%0.326CS..G310 helixtrans-85.6-1.6177.100000113.2D128 P129 T133D128-A131 HydrophobicContact CB-CB 3.97Å; D128-A131 WeakPolarHBondContact O-CB 3.48Å; D128-A131 PolarHBondContact O-N 2.61Å; P129-A131 VanDerWaalsContact C-N 3.32Å; A131-T133 PolarHBondContact O-N 2.95Å
132V92.7Very high90.3Very high10 Ų1049.4 Ų49.46%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-71.1126.3176.1-177.70000109.6V5 V92 V97 L123 P129 A130 I144 Q145 A146V5-V132 HydrophobicContact CG1-CG1 4.36Å; V5-V132 HydrophobicContact CG2-CB 4.33Å; V5-V132 HydrophobicContact CG2-CG1 4.08Å; V92-V132 HydrophobicContact CG2-CB 4.07Å; V92-V132 HydrophobicContact CG2-CG1 4.24Å; V92-V132 HydrophobicContact CG2-CG2 3.99Å; V97-V132 HydrophobicContact CG2-CG1 4.32Å; L123-V132 HydrophobicContact CD1-CG2 4.46Å; L123-V132 HydrophobicContact CD2-CG2 4.1Å; P129-V132 WeakPolarHBondContact O-CG2 3.25Å; A130-V132 VanDerWaalsContact C-N 3.3Å; V132-I144 HydrophobicContact CG1-CG2 3.72Å; V132-Q145 WeakPolarHBondContact CA-O 3.39Å; V132-A146 HydrophobicContact CG2-CB 4.01Å
133T93.7Very high90.4Very high83 Ų8344.9 Ų44.951%0.50930%0.296SS..EExtended strand (participates in β ladder)trans-125.5155177.559.70000110A131 I144 Q145A131-T133 PolarHBondContact O-N 2.95Å; T133-I144 WeakPolarHBondContact O-CA 3.31Å; T133-Q145 PolarHBondContact N-O 3.15Å; T133-Q145 PolarHBondContact O-N 3.43Å; T133-Q145 PolarHBondContact OG1-O 3.06Å
134S94.8Very high90.5Very high5 Ų544.1 Ų44.14%0.03529%0.293CS..EExtended strand (participates in β ladder)trans-138.9144.7176.476.90000112.3P6 V7 Q8 S143P6-S134 PolarHBondContact O-OG 3.34Å; V7-S134 WeakPolarHBondContact CA-OG 3.49Å; Q8-S134 WeakPolarHBondContact CB-O 3.35Å; Q8-S134 PolarHBondContact N-O 2.88Å; Q8-S134 VanDerWaalsContact N-O 3.11Å; S134-S143 CarbonylContact C-O 3.58Å; S134-S143 WeakPolarHBondContact CA-O 3.38Å
135A93.9Very high90.7Very high27 Ų2746.4 Ų46.422%0.22330%0.301CS..EExtended strand (participates in β ladder)trans-141.1135.5177.900000111.5Q8 S143Q8-A135 CarbonylContact O-C 3.58Å; Q8-A135 WeakPolarHBondContact O-CA 3.03Å; A135-S143 PolarHBondContact N-O 2.87Å; A135-S143 PolarHBondContact O-N 2.89Å; A135-S143 PolarHBondContact O-OG 3.19Å
136L94.2Very high91Very high15 Ų1540.4 Ų40.48%0.07926%0.262CS..EExtended strand (participates in β ladder)trans-104.6125.5178178.158.1000110.4V7 Q8 S10 V80 P85 I88 L142V7-L136 HydrophobicContact CG1-CB 3.74Å; V7-L136 HydrophobicContact CG1-CD2 4.33Å; Q8-L136 PolarHBondContact O-N 3.09Å; S10-L136 PolarHBondContact N-O 3.39Å; S10-L136 PolarHBondContact OG-O 3.26Å; V80-L136 HydrophobicContact CG2-CD1 3.44Å; V80-L136 VanDerWaalsContact CG2-CD1 3.44Å; P85-L136 HydrophobicContact CB-CD2 3.96Å; P85-L136 HydrophobicContact CG-CD2 3.76Å; I88-L136 HydrophobicContact CD1-CD2 3.97Å; L136-L142 HydrophobicContact CD1-CB 4.26Å
137S91.6Very high90.7Very high27 Ų2740.6 Ų40.619%0.18925%0.25CS..  trans-82.1156.4177.393.10000112.7S10 E139 G140 V141S10-S137 WeakPolarHBondContact OG-CA 3.46Å; S137-E139 WeakPolarHBondContact CB-OE2 3.46Å; S137-E139 PolarHBondContact O-N 3.01Å; S137-E139 PolarHBondContact OG-N 3.34Å; S137-E139 PolarHBondContact OG-OE2 3.2Å; S137-G140 PolarHBondContact O-N 3.31Å; S137-V141 PolarHBondContact N-O 3.34Å; S137-V141 PolarHBondContact OG-N 3.45Å
138P88Confident89.8Confident91 Ų9141.8 Ų41.859%0.59126%0.258SS*.THydrogen-bonded Turntrans-59.3-26.1173.9-21.833.3000113.5S10 W11 G140S10-P138 WeakPolarHBondContact OG-CD 3.04Å; W11-P138 HydrophobicContact CB-CG 4.32Å; P138-G140 PolarHBondContact O-N 3.1Å
139E88.8Confident88.4Confident137 Ų13742 Ų4264%0.6427%0.27SS*.THydrogen-bonded Turntrans-79.80.8178.7-53.672-152.500112.7S137S137-E139 WeakPolarHBondContact CB-OE2 3.46Å; S137-E139 PolarHBondContact O-N 3.01Å; S137-E139 PolarHBondContact OG-N 3.34Å; S137-E139 PolarHBondContact OG-OE2 3.2Å
140G90.6Very high86.7Confident10 Ų1045 Ų4510%0.10329%0.293CS..SBendtrans83.424.1179.500000113.8V80 K81 S137 P138V80-G140 CarbonylContact C-O 3.52Å; V80-G140 VanDerWaalsContact CG2-O 3.29Å; V80-G140 WeakPolarHBondContact CG2-O 3.45Å; V80-G140 PolarHBondContact N-O 2.89Å; K81-G140 PolarHBondContact N-O 2.84Å; S137-G140 PolarHBondContact O-N 3.31Å; P138-G140 PolarHBondContact O-N 3.1Å
141V93.8Very high84.9Confident41 Ų4144.8 Ų44.825%0.24829%0.29CS..EExtended strand (participates in β ladder)trans-100.6116.6175.9-175.10000110L77 L78 S137L77-V141 HydrophobicContact CB-CG1 4.36Å; L77-V141 HydrophobicContact CD2-CG1 4.41Å; L78-V141 CarbonylContact O-C 3.41Å; L78-V141 WeakPolarHBondContact O-CA 3.42Å; S137-V141 PolarHBondContact N-O 3.34Å; S137-V141 PolarHBondContact OG-N 3.45Å
142L93.6Very high82.8Confident0 Ų052 Ų520%032%0.32CS..EExtended strand (participates in β ladder)trans-87.9120.5171.5172.868.9000109.6V7 L77 L78 V80 I88 V90 V99 L136 I144V7-L142 HydrophobicContact CG1-CD1 4.11Å; L77-L142 CarbonylContact C-O 3.54Å; L77-L142 WeakPolarHBondContact CA-O 3.45Å; L78-L142 HydrophobicContact CB-CB 4.11Å; L78-L142 HydrophobicContact CD1-CD2 3.97Å; L78-L142 PolarHBondContact N-O 2.97Å; L78-L142 PolarHBondContact O-N 2.83Å; V80-L142 HydrophobicContact CG1-CB 4.1Å; V80-L142 HydrophobicContact CG1-CD2 4.44Å; V80-L142 HydrophobicContact CG2-CB 3.74Å; I88-L142 HydrophobicContact CG2-CD2 3.97Å; V90-L142 HydrophobicContact CG2-CD2 3.99Å; V99-L142 HydrophobicContact CG1-CD2 3.98Å; L136-L142 HydrophobicContact CD1-CB 4.26Å; L142-I144 HydrophobicContact CD1-CG1 4.5Å; L142-I144 HydrophobicContact CD2-CD1 4.22Å; L142-I144 HydrophobicContact CD2-CG1 4.41Å; L142-I144 HydrophobicContact CG-CD1 4.46Å; L142-I144 HydrophobicContact CG-CG1 4.14Å
143S93.3Very high80.3Confident30 Ų3055.4 Ų55.421%0.2135%0.349CS..EExtended strand (participates in β ladder)trans-103.4131.7173.458.90000110V76 S134 A135V76-S143 WeakPolarHBondContact O-CA 3.45Å; S134-S143 CarbonylContact C-O 3.58Å; S134-S143 WeakPolarHBondContact CA-O 3.38Å; A135-S143 PolarHBondContact N-O 2.87Å; A135-S143 PolarHBondContact O-N 2.89Å; A135-S143 PolarHBondContact O-OG 3.19Å
144I93.6Very high78Confident0 Ų057.3 Ų57.30%036%0.363CS..EExtended strand (participates in β ladder)trans-126.4123.9175.4-51.2172.7000107.6F74 S75 V76 L78 V90 V97 V99 V132 T133 L142F74-I144 HydrophobicContact CE1-CB 4.42Å; F74-I144 HydrophobicContact CE1-CG2 3.91Å; S75-I144 CarbonylContact C-O 3.54Å; S75-I144 VanDerWaalsContact CA-O 3.3Å; S75-I144 WeakPolarHBondContact CA-O 3.25Å; V76-I144 PolarHBondContact N-O 3.37Å; V76-I144 PolarHBondContact O-N 3.49Å; L78-I144 HydrophobicContact CD1-CD1 4.17Å; V90-I144 HydrophobicContact CG1-CD1 3.93Å; V90-I144 HydrophobicContact CG2-CD1 4.29Å; V97-I144 HydrophobicContact CG1-CD1 4.06Å; V97-I144 HydrophobicContact CG1-CG2 4.1Å; V99-I144 HydrophobicContact CG2-CD1 3.41Å; V99-I144 VanDerWaalsContact CG2-CD1 3.41Å; V132-I144 HydrophobicContact CG1-CG2 3.72Å; T133-I144 WeakPolarHBondContact O-CA 3.31Å; L142-I144 HydrophobicContact CD1-CG1 4.5Å; L142-I144 HydrophobicContact CD2-CD1 4.22Å; L142-I144 HydrophobicContact CD2-CG1 4.41Å; L142-I144 HydrophobicContact CG-CD1 4.46Å; L142-I144 HydrophobicContact CG-CG1 4.14Å
145Q93.2Very high76.1Confident75 Ų7564.9 Ų64.935%0.3540%0.402SS..EExtended strand (participates in β ladder)trans-138.5150-174.2-62.2-173.4-15.800111.7Y73 F74 S75 V132 T133Y73-Q145 PolarHBondContact OH-NE2 3.22Å; F74-Q145 CarbonylContact O-C 3.56Å; F74-Q145 WeakPolarHBondContact O-CA 3.17Å; S75-Q145 PolarHBondContact OG-NE2 3Å; V132-Q145 WeakPolarHBondContact CA-O 3.39Å; T133-Q145 PolarHBondContact N-O 3.15Å; T133-Q145 PolarHBondContact O-N 3.43Å; T133-Q145 PolarHBondContact OG1-O 3.06Å
146A89.1Confident74.1Confident0 Ų069.2 Ų69.20%043%0.428CS..EExtended strand (participates in β ladder)trans-133.1128.7167.700000109.7Y73 F74 V127 V132Y73-A146 WeakPolarHBondContact CD2-O 3.45Å; F74-A146 HydrophobicContact CB-CB 3.97Å; F74-A146 PolarHBondContact N-O 3Å; F74-A146 PolarHBondContact O-N 3.49Å; V127-A146 HydrophobicContact CG1-CB 3.35Å; V132-A146 HydrophobicContact CG2-CB 4.01Å
147T76.5Confident72.3Confident71 Ų7173.4 Ų73.444%0.43646%0.458SS..  trans-82.7146.6174.252.40000110.4A149T147-A149 PolarHBondContact O-N 3.23Å
148P66.8Low71.1Confident37 Ų3777.6 Ų77.624%0.2449%0.485CS..  trans-56.4140.6169.9-15.623.8000110.3G72 S150 A151G72-P148 VanDerWaalsContact O-CA 3.27Å; G72-P148 WeakPolarHBondContact O-CA 3.46Å; G72-P148 WeakPolarHBondContact O-CD 3.48Å; G72-P148 VanDerWaalsContact O-CG 3.27Å; G72-P148 WeakPolarHBondContact O-CG 3.33Å; G72-P148 VanDerWaalsContact O-N 3.15Å; P148-S150 PolarHBondContact O-N 3.05Å; P148-A151 PolarHBondContact O-N 3.29Å
149A59.2Low69.6Low80 Ų8079.2 Ų79.266%0.66150%0.495SS*.THydrogen-bonded Turntrans-55.5-19.1-179.400000114T147T147-A149 PolarHBondContact O-N 3.23Å
150S54.5Low68Low112 Ų11277.4 Ų77.478%0.78350%0.504SS*.THydrogen-bonded Turntrans-87.2-3.1179.360.90000115.4P148P148-S150 PolarHBondContact O-N 3.05Å
151A51.5Low66.3Low64 Ų6481.9 Ų81.953%0.52954%0.54SS..  trans-92.9-8.4-173.900000114.9P148 A153P148-A151 PolarHBondContact O-N 3.29Å; A151-A153 PolarHBondContact O-N 3.2Å
152Q44.7Very low64.2Low177 Ų17793.3 Ų93.383%0.82759%0.586SS**  trans-80.868.3170.1-84.6-177.2-26.200110.9
153A41.3Very low62.7Low81 Ų8198 Ų9867%0.66962%0.616SS**PPolyproline II helixtrans-82.9117.3157.100000107.6A151 L155A151-A153 PolarHBondContact O-N 3.2Å; A153-L155 PolarHBondContact O-N 3.34Å
154P46.1Very low61.1Low123 Ų123101.6 Ų101.680%0.79964%0.637SS**PPolyproline II helixtrans-61.2125.2173.724.4-31.3000108.7
155L53.9Low59.3Low165 Ų165107.2 Ų107.286%0.86467%0.672SS**PPolyproline II helixtrans-51.2126.9170.9-74.3162.9000108.6A153 S157A153-L155 PolarHBondContact O-N 3.34Å; L155-S157 PolarHBondContact O-N 3.29Å
156P51.1Low57.3Low118 Ų118109.1 Ų109.177%0.76669%0.691SS**PPolyproline II helixtrans-62.7125.3174.624.8-31.1000108.6
157S57.1Low55.3Low102 Ų102115.9 Ų115.971%0.71374%0.735SS**PPolyproline II helixtrans-51.7134.4172.850.10000109.9L155L155-S157 PolarHBondContact O-N 3.29Å
158P66Low53.9Low116 Ų116118.9 Ų118.975%0.75375%0.754SS**PPolyproline II helixtrans-60.1139.4177.824.6-31.8000109.7A160P158-A160 PolarHBondContact O-N 3.27Å
159P57.7Low53Low125 Ų125124.8 Ų124.881%0.81279%0.791SS**PPolyproline II helixtrans-63.2129.8179.725.9-32.5000109.4A161P159-A161 PolarHBondContact O-N 3.26Å; P159-A161 VanDerWaalsContact O-N 3.09Å
160A53.9Low52.5Low99 Ų99128.2 Ų128.282%0.81880%0.801SS**  trans-56.4115.3171.800000108.9P158 K162P158-A160 PolarHBondContact O-N 3.27Å; A160-K162 PolarHBondContact O-N 3.29Å
161A55.8Low52.3Low104 Ų104129.6 Ų129.686%0.8680%0.803SS**  trans-62.8128.3169.900000108.4P159P159-A161 PolarHBondContact O-N 3.26Å; P159-A161 VanDerWaalsContact O-N 3.09Å
162K48.7Very low52.4Low281 Ų281135.5 Ų135.5100%1.22283%0.828SS**  trans-87.20-179.2-134.5-179.5-172.4-179.10110.6A160A160-K162 PolarHBondContact O-N 3.29Å

Retrieved 162 of 162 residues in 39.2 ms (Link to these results)