A0A077ZGP8_TRITR Loading...

EB module family protein

AlphaFold DB , UniProt , Accession A0A077ZGP8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 304 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
1M64.2Low62.7Low164 Ų164130.5 Ų130.581%0.80860%0.604SS**  0123.90-123.4176-149.200106.5P13 Y24 C25M1-P13 HydrophobicContact SD-CG 4.13Å; M1-Y24 WeakPolarHBondContact O-CA 2.99Å; M1-C25 HydrophobicContact CB-CB 4.37Å; M1-C25 PolarHBondContact O-N 2.79Å
2E65.8Low63.7Low144 Ų144121.7 Ų121.767%0.67357%0.567SS**BIsolated β-bridgetrans-84.9145.7-179.7-70.2167.7174.500109.9E23 Y24E2-E23 CarbonylContact C-O 3.56Å; E2-E23 VanDerWaalsContact CA-O 3.32Å; E2-E23 WeakPolarHBondContact CA-O 3.28Å; E2-Y24 HydrophobicContact CB-CE1 4.48Å; E2-Y24 HydrophobicContact CG-CD1 3.73Å; E2-Y24 HydrophobicContact CG-CE1 3.22Å; E2-Y24 PolarHBondContact OE1-OH 3Å
3C78.9Confident64.4Low7 Ų7116 Ų1165%0.04755%0.548CS..  trans-138.5142.4-177.658.30000110.8C18 E23C3-C18 HydrophobicContact CB-CB 3.83Å; C3-C18 WeakPolarHBondContact CB-SG 3.03Å; C3-C18 WeakPolarHBondContact SG-CA 3.42Å; C3-C18 WeakPolarHBondContact SG-CB 3.49Å; C3-C18 CovalentContact SG-SG 2.02Å; C3-C18 PolarHBondContact SG-SG 3.47Å; C3-E23 PolarHBondContact N-O 2.96Å; C3-E23 WeakPolarHBondContact O-CB 3.3Å; C3-E23 VanDerWaalsContact SG-C 3.57Å
4D71.5Confident64.8Low78 Ų78115.6 Ų115.642%0.41756%0.56SS.*  trans-101.1119.3-179.6-179.21.7000111.5R6 G7D4-R6 PolarHBondContact O-N 2.67Å; D4-R6 WeakPolarHBondContact OD1-CB 3.19Å; D4-R6 PolarHBondContact OD1-N 2.85Å; D4-G7 PolarHBondContact O-N 3.02Å; D4-G7 VanDerWaalsContact O-N 3.14Å
5I63Low64.9Low90 Ų90115.6 Ų115.646%0.46256%0.564SS.*THydrogen-bonded Turntrans-66.7-23.8179.8-35.5160.4000111.7P20 E23I5-P20 VanDerWaalsContact CD1-CA 3.46Å; I5-P20 HydrophobicContact CD1-CB 3.87Å; I5-P20 VanDerWaalsContact CD1-O 3.28Å; I5-P20 WeakPolarHBondContact CD1-O 3.42Å; I5-P20 HydrophobicContact CG1-CB 4.46Å; I5-P20 HydrophobicContact CG2-CB 4.44Å; I5-E23 HydrophobicContact CD1-CG 4.01Å; I5-E23 HydrophobicContact CG1-CG 4.22Å
6R63.8Low65.5Low243 Ų243113.8 Ų113.892%0.91755%0.55SS*.THydrogen-bonded Turntrans-87.6-14.1177-66.6180162.6-175.4-3.5112.7D4D4-R6 PolarHBondContact O-N 2.67Å; D4-R6 WeakPolarHBondContact OD1-CB 3.19Å; D4-R6 PolarHBondContact OD1-N 2.85Å
7G55.8Low66.2Low24 Ų24112.9 Ų112.925%0.24754%0.543CS..SBendtrans-91154174.100000112.6D4 R9D4-G7 PolarHBondContact O-N 3.02Å; D4-G7 VanDerWaalsContact O-N 3.14Å; G7-R9 PolarHBondContact O-N 2.88Å
8H48.4Very low66.5Low184 Ų184108.9 Ų108.985%0.85253%0.528SS*.  trans-43.9132-176.2-85.3-92000114.1N10H8-N10 PolarHBondContact O-N 3Å
9R51.3Low67Low250 Ų250104.9 Ų104.994%0.94351%0.51SS*.SBendtrans-443-170.4-102.1179176.8179.8-2.1120.7G7G7-R9 PolarHBondContact O-N 2.88Å
10N57.9Low67.2Low151 Ų151104 Ų10481%0.80751%0.512SS*.  trans-132.439-169.2-64-12000113.4H8H8-N10 PolarHBondContact O-N 3Å
11Q69.4Low67.4Low101 Ų101110.1 Ų110.147%0.47253%0.529SS..  trans-81.8-22.8176.2-68.8-179.12900113.5
12C74.2Confident68Low24 Ų24105.6 Ų105.616%0.16251%0.511CS..SBendtrans-82.3146.6177.5-63.40000111.1C25C12-C25 WeakPolarHBondContact CA-SG 3.03Å; C12-C25 HydrophobicContact CB-CB 3.86Å; C12-C25 WeakPolarHBondContact CB-SG 3.32Å; C12-C25 WeakPolarHBondContact SG-CB 3.49Å; C12-C25 CovalentContact SG-SG 2.05Å; C12-C25 PolarHBondContact SG-SG 2.63Å
13P73Confident68.6Low48 Ų48103.7 Ų103.731%0.31250%0.502SS..PPolyproline II helixtrans-53.8158.5170.1-22.332.2000111.7M1 N15 Y16M1-P13 HydrophobicContact SD-CG 4.13Å; P13-N15 PolarHBondContact O-N 3.42Å; P13-Y16 HydrophobicContact CB-CD2 4.01Å; P13-Y16 HydrophobicContact CB-CE2 4.38Å; P13-Y16 PolarHBondContact O-N 2.89Å
14P70.1Confident68.6Low111 Ų111108.7 Ų108.772%0.72152%0.521SS*.THydrogen-bonded Turntrans-53.5134.3174-21.231.8000111.7
15N66Low68.9Low115 Ų115105.9 Ų105.962%0.61551%0.507SS*.THydrogen-bonded Turntrans75.118.4-175.2-44-52.6000116.6P13P13-N15 PolarHBondContact O-N 3.42Å
16Y74.7Confident69.3Low87 Ų87103.6 Ų103.634%0.34150%0.498SS..EExtended strand (participates in β ladder)trans-123.5144.3171.8-66.9-116.2000108.5P13 C25 C26 E27P13-Y16 HydrophobicContact CB-CD2 4.01Å; P13-Y16 HydrophobicContact CB-CE2 4.38Å; P13-Y16 PolarHBondContact O-N 2.89Å; Y16-C25 HydrophobicContact CD1-CB 4.42Å; Y16-C26 VanDerWaalsContact CA-O 3.24Å; Y16-C26 WeakPolarHBondContact CA-O 3.17Å; Y16-C26 WeakPolarHBondContact CB-O 3.45Å; Y16-C26 WeakPolarHBondContact CD1-O 3.31Å; Y16-E27 HydrophobicContact CD1-CB 4.46Å; Y16-E27 HydrophobicContact CD1-CG 3.67Å; Y16-E27 HydrophobicContact CE1-CB 4.16Å; Y16-E27 HydrophobicContact CE1-CG 2.96Å; Y16-E27 WeakPolarHBondContact CE1-OE1 3Å; Y16-E27 HydrophobicContact CE2-CG 4.28Å; Y16-E27 VanDerWaalsContact CZ-OE1 3.29Å; Y16-E27 WeakPolarHBondContact OH-CG 3.48Å; Y16-E27 PolarHBondContact OH-OE1 3.02Å
17F77.6Confident69.5Low99 Ų9997.1 Ų97.143%0.43448%0.479SS..EExtended strand (participates in β ladder)trans-113.2150.5171.371-86000110.5D19 C25 C26 D28F17-D19 HydrophobicContact CE2-CB 4.14Å; F17-D19 PolarHBondContact O-N 2.79Å; F17-C25 WeakPolarHBondContact O-CA 2.98Å; F17-C26 HydrophobicContact CE1-CB 4Å; F17-C26 HydrophobicContact CE2-CB 4.39Å; F17-C26 HydrophobicContact CZ-CB 3.91Å; F17-C26 PolarHBondContact N-O 3.26Å; F17-C26 PolarHBondContact O-N 3.47Å; F17-D28 WeakPolarHBondContact CD1-OD1 3.41Å; F17-D28 WeakPolarHBondContact CE1-OD1 3.48Å
18C72.4Confident69.7Low40 Ų40100 Ų10027%0.2749%0.488SS..EExtended strand (participates in β ladder)trans-81.1113.2173.5-1730000108.9C3 P20C3-C18 HydrophobicContact CB-CB 3.83Å; C3-C18 WeakPolarHBondContact CB-SG 3.03Å; C3-C18 WeakPolarHBondContact SG-CA 3.42Å; C3-C18 WeakPolarHBondContact SG-CB 3.49Å; C3-C18 CovalentContact SG-SG 2.02Å; C3-C18 PolarHBondContact SG-SG 3.47Å; C18-P20 WeakPolarHBondContact O-CD 3.42Å
19D75.1Confident69.3Low34 Ų3497.8 Ų97.818%0.18248%0.483CS..  trans-71117.7176.11754.6000109.6F17 R21 T22 E23 Y24F17-D19 HydrophobicContact CE2-CB 4.14Å; F17-D19 PolarHBondContact O-N 2.79Å; D19-R21 PolarHBondContact O-N 3.02Å; D19-R21 VanDerWaalsContact O-N 3.11Å; D19-R21 WeakPolarHBondContact OD1-CB 3.44Å; D19-R21 PolarHBondContact OD1-N 2.89Å; D19-T22 WeakPolarHBondContact CB-OG1 3.41Å; D19-T22 VanDerWaalsContact CG-OG1 3.32Å; D19-T22 PolarHBondContact O-N 3.35Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.4Å; D19-T22 PolarHBondContact OD2-OG1 3.12Å; D19-E23 WeakPolarHBondContact O-CA 3.17Å; D19-E23 PolarHBondContact O-N 3.39Å; D19-Y24 PolarHBondContact N-O 2.93Å
20P70.3Confident69Low85 Ų8592.4 Ų92.455%0.55247%0.473SS*.THydrogen-bonded Turntrans-67.9-10.8-177.929.2-36.4000114.1I5 C18I5-P20 VanDerWaalsContact CD1-CA 3.46Å; I5-P20 HydrophobicContact CD1-CB 3.87Å; I5-P20 VanDerWaalsContact CD1-O 3.28Å; I5-P20 WeakPolarHBondContact CD1-O 3.42Å; I5-P20 HydrophobicContact CG1-CB 4.46Å; I5-P20 HydrophobicContact CG2-CB 4.44Å; C18-P20 WeakPolarHBondContact O-CD 3.42Å
21R71.5Confident68.1Low233 Ų23393.3 Ų93.388%0.87948%0.478SS*.THydrogen-bonded Turntrans-91.4-33.5178.3-68.7-178.4172.1173.2-1113.2D19D19-R21 PolarHBondContact O-N 3.02Å; D19-R21 VanDerWaalsContact O-N 3.11Å; D19-R21 WeakPolarHBondContact OD1-CB 3.44Å; D19-R21 PolarHBondContact OD1-N 2.89Å
22T78.4Confident66.6Low69 Ų6992 Ų9242%0.42348%0.48SS..THydrogen-bonded Turntrans-112-13.9-173.461.20000112.6D19 Y24D19-T22 WeakPolarHBondContact CB-OG1 3.41Å; D19-T22 VanDerWaalsContact CG-OG1 3.32Å; D19-T22 PolarHBondContact O-N 3.35Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.4Å; D19-T22 PolarHBondContact OD2-OG1 3.12Å; T22-Y24 WeakPolarHBondContact O-CD2 2.97Å; T22-Y24 WeakPolarHBondContact O-CE2 3.38Å; T22-Y24 PolarHBondContact O-N 2.04Å
23E77.5Confident64.9Low104 Ų104101.1 Ų101.149%0.48651%0.511SS..  trans58.128.6-176.8-62.2-174.7164.900112.7E2 C3 I5 D19E2-E23 CarbonylContact C-O 3.56Å; E2-E23 VanDerWaalsContact CA-O 3.32Å; E2-E23 WeakPolarHBondContact CA-O 3.28Å; C3-E23 PolarHBondContact N-O 2.96Å; C3-E23 WeakPolarHBondContact O-CB 3.3Å; C3-E23 VanDerWaalsContact SG-C 3.57Å; I5-E23 HydrophobicContact CD1-CG 4.01Å; I5-E23 HydrophobicContact CG1-CG 4.22Å; D19-E23 WeakPolarHBondContact O-CA 3.17Å; D19-E23 PolarHBondContact O-N 3.39Å
24Y79.6Confident63.4Low112 Ų112107.9 Ų107.944%0.43954%0.538SS..BIsolated β-bridgetrans-112.8146.8173.3-71.3-77.7000111.2M1 E2 D19 T22 C26M1-Y24 WeakPolarHBondContact O-CA 2.99Å; E2-Y24 HydrophobicContact CB-CE1 4.48Å; E2-Y24 HydrophobicContact CG-CD1 3.73Å; E2-Y24 HydrophobicContact CG-CE1 3.22Å; E2-Y24 PolarHBondContact OE1-OH 3Å; D19-Y24 PolarHBondContact N-O 2.93Å; T22-Y24 WeakPolarHBondContact O-CD2 2.97Å; T22-Y24 WeakPolarHBondContact O-CE2 3.38Å; T22-Y24 PolarHBondContact O-N 2.04Å; Y24-C26 PolarHBondContact O-N 3.33Å
25C76.8Confident61.9Low20 Ų20114 Ų11414%0.13555%0.547CS..EExtended strand (participates in β ladder)trans-74.7113.1169.2-64.80000109.7M1 C12 Y16 F17M1-C25 HydrophobicContact CB-CB 4.37Å; M1-C25 PolarHBondContact O-N 2.79Å; C12-C25 WeakPolarHBondContact CA-SG 3.03Å; C12-C25 HydrophobicContact CB-CB 3.86Å; C12-C25 WeakPolarHBondContact CB-SG 3.32Å; C12-C25 WeakPolarHBondContact SG-CB 3.49Å; C12-C25 CovalentContact SG-SG 2.05Å; C12-C25 PolarHBondContact SG-SG 2.63Å; Y16-C25 HydrophobicContact CD1-CB 4.42Å; F17-C25 WeakPolarHBondContact O-CA 2.98Å
26C72.1Confident60.3Low41 Ų41118.2 Ų118.228%0.27756%0.56SS.*EExtended strand (participates in β ladder)trans-96.1141.2178.2-63.60000110.7Y16 F17 Y24Y16-C26 VanDerWaalsContact CA-O 3.24Å; Y16-C26 WeakPolarHBondContact CA-O 3.17Å; Y16-C26 WeakPolarHBondContact CB-O 3.45Å; Y16-C26 WeakPolarHBondContact CD1-O 3.31Å; F17-C26 HydrophobicContact CE1-CB 4Å; F17-C26 HydrophobicContact CE2-CB 4.39Å; F17-C26 HydrophobicContact CZ-CB 3.91Å; F17-C26 PolarHBondContact N-O 3.26Å; F17-C26 PolarHBondContact O-N 3.47Å; Y24-C26 PolarHBondContact O-N 3.33Å
27E67.9Low58.8Low108 Ų108119 Ų11951%0.50558%0.576SS.*EExtended strand (participates in β ladder)trans-65.9138.5165.4-72.1179.6-170.600108.2Y16 D29Y16-E27 HydrophobicContact CD1-CB 4.46Å; Y16-E27 HydrophobicContact CD1-CG 3.67Å; Y16-E27 HydrophobicContact CE1-CB 4.16Å; Y16-E27 HydrophobicContact CE1-CG 2.96Å; Y16-E27 WeakPolarHBondContact CE1-OE1 3Å; Y16-E27 HydrophobicContact CE2-CG 4.28Å; Y16-E27 VanDerWaalsContact CZ-OE1 3.29Å; Y16-E27 WeakPolarHBondContact OH-CG 3.48Å; Y16-E27 PolarHBondContact OH-OE1 3.02Å; E27-D29 PolarHBondContact O-N 3.48Å
28D59.2Low56.9Low84 Ų84120.6 Ų120.645%0.44959%0.589SS.*  trans-67.176.4165.1-75.6-39.5000108.5F17 D30F17-D28 WeakPolarHBondContact CD1-OD1 3.41Å; F17-D28 WeakPolarHBondContact CE1-OD1 3.48Å; D28-D30 PolarHBondContact O-N 3.29Å
29D40.9Very low55.8Low137 Ų137121.3 Ų121.373%0.73359%0.594SS**  trans-75.166.1168.5-81.4-40.4000109.4E27E27-D29 PolarHBondContact O-N 3.48Å
30D45Very low54.5Low138 Ų138123.4 Ų123.474%0.73861%0.612SS**SBendtrans-168.1104156.5-108.8-41000106.8D28 S32D28-D30 PolarHBondContact O-N 3.29Å; D30-S32 PolarHBondContact O-N 3.27Å
31D39.3Very low53.5Low169 Ų169129.8 Ų129.890%0.90463%0.625SS**  trans16.563.4150.2-90.1-49.5000115.3R33D31-R33 PolarHBondContact O-N 2.73Å
32S36.2Very low52.9Low75 Ų75121.2 Ų121.252%0.52460%0.595SS.*  trans-83.8101.6168.944.60000105.4D30D30-S32 PolarHBondContact O-N 3.27Å
33R40.4Very low52.7Low215 Ų215122.4 Ų122.481%0.81160%0.598SS**  trans166.650.7145-85150.9-159.9-154.56.7114.5D31D31-R33 PolarHBondContact O-N 2.73Å
34E40.6Very low53.1Low190 Ų190119 Ų11989%0.88858%0.584SS**SBendtrans-110.8112137.6-76.5-160160.400109.1K36E34-K36 PolarHBondContact O-N 2.89Å; E34-K36 VanDerWaalsContact O-N 3.08Å
35R38.4Very low53.4Low240 Ų240116 Ų11691%0.90658%0.581SS**  trans-41.8114.3171.8-67.2170.3176.9-147.7-1.7110.3
36K32.9Very low53.9Low202 Ų202116.1 Ų116.188%0.87858%0.581SS**SBendtrans-75.1115.1142.4-71.1-179.2-179.4172.80105.1E34E34-K36 PolarHBondContact O-N 2.89Å; E34-K36 VanDerWaalsContact O-N 3.08Å
37P41.9Very low54.5Low105 Ų105115.7 Ų115.768%0.68258%0.583SS**  -144101.568.734.7-14.3000111.7
38D39.5Very low55.5Low132 Ų132113.9 Ų113.971%0.70658%0.577SS**  trans-127.959156.7-144.135.9000110.3S40D38-S40 VanDerWaalsContact CG-CB 3.49Å; D38-S40 PolarHBondContact O-N 2.79Å; D38-S40 WeakPolarHBondContact OD1-CB 3.19Å; D38-S40 PolarHBondContact OD1-OG 3.2Å; D38-S40 PolarHBondContact OD2-OG 3.43Å
39S48.9Very low56.8Low54 Ų54119.7 Ų119.738%0.37859%0.593SS.*  trans-71.132.815565.80000110.8R41 E42S39-R41 PolarHBondContact O-N 3.14Å; S39-E42 VanDerWaalsContact CB-OE1 3.26Å; S39-E42 WeakPolarHBondContact CB-OE1 3.33Å; S39-E42 WeakPolarHBondContact O-CB 3.48Å; S39-E42 VanDerWaalsContact O-CG 3.27Å; S39-E42 WeakPolarHBondContact O-CG 3.49Å; S39-E42 PolarHBondContact O-N 2.98Å; S39-E42 PolarHBondContact OG-OE1 3.3Å
40S47.2Very low59Low79 Ų79114 Ų11455%0.55256%0.563SS**THydrogen-bonded Turntrans-68.67.3-177.254.60000114.6D38D38-S40 VanDerWaalsContact CG-CB 3.49Å; D38-S40 PolarHBondContact O-N 2.79Å; D38-S40 WeakPolarHBondContact OD1-CB 3.19Å; D38-S40 PolarHBondContact OD1-OG 3.2Å; D38-S40 PolarHBondContact OD2-OG 3.43Å
41R48.8Very low60.8Low218 Ų218111.4 Ų111.482%0.82355%0.55SS*.THydrogen-bonded Turntrans-130.941.5164.4-73.5-177.4156173.8-5.2111.4S39 N43S39-R41 PolarHBondContact O-N 3.14Å; R41-N43 PolarHBondContact O-N 2.95Å; R41-N43 PolarHBondContact O-ND2 2.95Å
42E59.7Low62.6Low53 Ų53108.6 Ų108.625%0.24853%0.531CS..  trans-49.7102.7171.7-97.2167.5-144.800109.8S39 L44 R54 P58S39-E42 VanDerWaalsContact CB-OE1 3.26Å; S39-E42 WeakPolarHBondContact CB-OE1 3.33Å; S39-E42 WeakPolarHBondContact O-CB 3.48Å; S39-E42 VanDerWaalsContact O-CG 3.27Å; S39-E42 WeakPolarHBondContact O-CG 3.49Å; S39-E42 PolarHBondContact O-N 2.98Å; S39-E42 PolarHBondContact OG-OE1 3.3Å; E42-L44 HydrophobicContact CB-CG 4.26Å; E42-L44 HydrophobicContact CG-CD2 4.39Å; E42-L44 HydrophobicContact CG-CG 4.31Å; E42-R54 IonicContact OE1-CZ 2.96Å; E42-R54 IonicContact OE1-NH1 3.47Å; E42-R54 PolarHBondContact OE1-NH1 3.35Å; E42-R54 IonicContact OE1-NH2 3.17Å; E42-R54 PolarHBondContact OE1-NH2 3.49Å; E42-R54 IonicContact OE2-CZ 3.57Å; E42-R54 IonicContact OE2-NH1 3.54Å; E42-R54 PolarHBondContact OE2-NH1 3.38Å; E42-P58 CarbonylContact C-O 3.43Å; E42-P58 HydrophobicContact CB-CB 4.24Å; E42-P58 WeakPolarHBondContact OE2-CB 3.34Å
43N73.4Confident64.5Low94 Ų94112.5 Ų112.550%0.50355%0.545SS..  trans-104.558.5176.1-88-74.6000106.5R41 A45 R60R41-N43 PolarHBondContact O-N 2.95Å; R41-N43 PolarHBondContact O-ND2 2.95Å; N43-A45 PolarHBondContact O-N 2.93Å; N43-R60 HydrophobicContact CB-CB 4Å; N43-R60 HydrophobicContact CB-CG 4.09Å; N43-R60 WeakPolarHBondContact OD1-CG 3.28Å
44L85.6Confident65.8Low34 Ų34108 Ų10818%0.17853%0.528CS..BIsolated β-bridgetrans-67.7130.1-177.1-60.6177.2000110.1E42 D48 C50 P58 R60E42-L44 HydrophobicContact CB-CG 4.26Å; E42-L44 HydrophobicContact CG-CD2 4.39Å; E42-L44 HydrophobicContact CG-CG 4.31Å; L44-D48 HydrophobicContact CB-CB 4.01Å; L44-D48 HydrophobicContact CD2-CB 4.39Å; L44-C50 HydrophobicContact CD1-CB 3.9Å; L44-P58 VanDerWaalsContact CB-O 3.32Å; L44-P58 WeakPolarHBondContact CB-O 2.97Å; L44-P58 HydrophobicContact CD1-CB 3.79Å; L44-P58 HydrophobicContact CD1-CG 4.08Å; L44-P58 HydrophobicContact CG-CB 4.5Å; L44-P58 WeakPolarHBondContact CG-O 2.95Å; L44-P58 PolarHBondContact N-O 3.49Å; L44-P58 VanDerWaalsContact N-O 3.16Å; L44-R60 WeakPolarHBondContact O-CB 3.33Å; L44-R60 PolarHBondContact O-N 2.81Å
45A86.8Confident67.2Low47 Ų47109.6 Ų109.639%0.38853%0.532SS..PPolyproline II helixtrans-75.9168.7178.100000111N43 G47 D48 C71N43-A45 PolarHBondContact O-N 2.93Å; A45-G47 PolarHBondContact O-N 3.3Å; A45-D48 PolarHBondContact N-OD2 2.87Å; A45-D48 WeakPolarHBondContact O-CB 3.34Å; A45-D48 PolarHBondContact O-N 2.03Å; A45-C71 VanDerWaalsContact O-CB 3.24Å; A45-C71 WeakPolarHBondContact O-CB 3.07Å
46L86.6Confident69Low24 Ų24108.6 Ų108.613%0.12653%0.528CS..THydrogen-bonded Turntrans-57.5137.3171.5-72.9176.9000110.8D48 T61 A64 E79L46-D48 VanDerWaalsContact C-N 3.29Å; L46-D48 PolarHBondContact O-N 2.91Å; L46-T61 HydrophobicContact CD1-CG2 4.05Å; L46-T61 HydrophobicContact CD2-CG2 4.37Å; L46-T61 HydrophobicContact CG-CG2 4.07Å; L46-A64 HydrophobicContact CD2-CB 3.62Å; L46-E79 HydrophobicContact CD1-CB 4.42Å; L46-E79 HydrophobicContact CD1-CG 3.8Å
47G86.1Confident71.4Confident32 Ų32102.6 Ų102.633%0.3351%0.506SS..THydrogen-bonded Turntrans87.4-17.6-178.400000115.3A45 R70 C71A45-G47 PolarHBondContact O-N 3.3Å; G47-R70 PolarHBondContact O-NH1 3.1Å; G47-C71 PolarHBondContact N-O 3.25Å
48D89Confident73.3Confident70 Ų7098.1 Ų98.137%0.37448%0.477SS..  trans-64.2149177.4-74.3-18.1000111.5L44 A45 L46 R70 C71L44-D48 HydrophobicContact CB-CB 4.01Å; L44-D48 HydrophobicContact CD2-CB 4.39Å; A45-D48 PolarHBondContact N-OD2 2.87Å; A45-D48 WeakPolarHBondContact O-CB 3.34Å; A45-D48 PolarHBondContact O-N 2.03Å; L46-D48 VanDerWaalsContact C-N 3.29Å; L46-D48 PolarHBondContact O-N 2.91Å; D48-R70 CarbonylContact O-C 3.55Å; D48-R70 WeakPolarHBondContact O-CA 3.4Å; D48-C71 PolarHBondContact O-N 2.99Å
49R86.3Confident75.6Confident205 Ų20592.5 Ų92.577%0.77445%0.447SS*.BIsolated β-bridgetrans-73.5133.7176.4-67-176.1-177-1760.7110G69R49-G69 WeakPolarHBondContact CA-O 3.43Å
50C86.4Confident77.4Confident17 Ų1798.3 Ų98.312%0.11546%0.461CS..  trans-135.6166.3178.6590000110L44 P58 C66 G69 R70 C71L44-C50 HydrophobicContact CD1-CB 3.9Å; C50-P58 HydrophobicContact CB-CG 3.65Å; C50-C66 HydrophobicContact CB-CB 3.9Å; C50-C66 WeakPolarHBondContact CB-SG 3.32Å; C50-C66 WeakPolarHBondContact SG-CA 3.43Å; C50-C66 WeakPolarHBondContact SG-CB 3.3Å; C50-C66 CovalentContact SG-SG 2.02Å; C50-C66 PolarHBondContact SG-SG 3.26Å; C50-G69 PolarHBondContact N-O 3.2Å; C50-G69 CarbonylContact O-C 3.53Å; C50-G69 WeakPolarHBondContact O-CA 3.41Å; C50-G69 VanDerWaalsContact SG-C 3.52Å; C50-R70 WeakPolarHBondContact SG-CA 3.31Å; C50-R70 PolarHBondContact SG-N 3.28Å; C50-R70 VanDerWaalsContact SG-N 3.35Å; C50-C71 PolarHBondContact SG-N 3.47Å
51N82.9Confident79.3Confident85 Ų8595.5 Ų95.546%0.45544%0.441SS..  trans-113117.2179.5-172-6.7000110.3L53 R54N51-L53 PolarHBondContact O-N 2.89Å; N51-L53 WeakPolarHBondContact OD1-CB 2.98Å; N51-L53 PolarHBondContact OD1-N 2.88Å; N51-L53 VanDerWaalsContact OD1-N 3.15Å; N51-R54 HydrophobicContact CB-CG 4.47Å; N51-R54 PolarHBondContact O-N 3.39Å
52E76.8Confident81Confident110 Ų11092.5 Ų92.551%0.51444%0.436SS..THydrogen-bonded Turntrans-66.1-19.7-178.4-64.4179.9-173.500113.5R54 C66 N68 G69E52-R54 PolarHBondContact O-N 2.97Å; E52-R54 VanDerWaalsContact O-N 3.16Å; E52-C66 HydrophobicContact CG-CB 4.4Å; E52-N68 WeakPolarHBondContact OE1-CA 3.44Å; E52-N68 PolarHBondContact OE1-N 2.02Å; E52-G69 PolarHBondContact OE1-N 3.32Å
53L75.7Confident82.5Confident156 Ų15691.9 Ų91.982%0.81744%0.435SS*.THydrogen-bonded Turntrans-72.7-3180-63.6170.2000113.3N51N51-L53 PolarHBondContact O-N 2.89Å; N51-L53 WeakPolarHBondContact OD1-CB 2.98Å; N51-L53 PolarHBondContact OD1-N 2.88Å; N51-L53 VanDerWaalsContact OD1-N 3.15Å
54R67.5Low83.2Confident121 Ų12187.6 Ų87.646%0.45741%0.412SS..  trans-83.5137.4-179.4-69-168.5169.2-1641.7111.4E42 N51 E52 R56E42-R54 IonicContact OE1-CZ 2.96Å; E42-R54 IonicContact OE1-NH1 3.47Å; E42-R54 PolarHBondContact OE1-NH1 3.35Å; E42-R54 IonicContact OE1-NH2 3.17Å; E42-R54 PolarHBondContact OE1-NH2 3.49Å; E42-R54 IonicContact OE2-CZ 3.57Å; E42-R54 IonicContact OE2-NH1 3.54Å; E42-R54 PolarHBondContact OE2-NH1 3.38Å; N51-R54 HydrophobicContact CB-CG 4.47Å; N51-R54 PolarHBondContact O-N 3.39Å; E52-R54 PolarHBondContact O-N 2.97Å; E52-R54 VanDerWaalsContact O-N 3.16Å; R54-R56 VanDerWaalsContact C-N 3.27Å; R54-R56 PolarHBondContact O-N 2.68Å
55K70.1Confident83.5Confident223 Ų22389.3 Ų89.397%0.9742%0.421SS*.SBendtrans-65.7-24.4175.8-82.5-175.2178179.10114.2
56R78Confident83.5Confident220 Ų22087.7 Ų87.783%0.8341%0.407SS*.SBendtrans-113.6138.1178.9-69.2-174.6-175.2-122.32.2109R54 P58R54-R56 VanDerWaalsContact C-N 3.27Å; R54-R56 PolarHBondContact O-N 2.68Å; R56-P58 WeakPolarHBondContact O-CD 3.35Å
57N81.4Confident83.4Confident76 Ų7689.4 Ų89.441%0.40642%0.416SS..  trans-61.4118.9172.8-179.93.2000109.7C59 A64N57-C59 VanDerWaalsContact C-N 3.28Å; N57-C59 WeakPolarHBondContact OD1-CB 3.25Å; N57-C59 PolarHBondContact OD1-N 2.88Å; N57-C59 PolarHBondContact OD1-SG 3.28Å; N57-A64 PolarHBondContact ND2-O 2.86Å
58P83.8Confident83.3Confident10 Ų1094.1 Ų94.17%0.06543%0.434CS..  trans-84.9-0.9-179.236.6-36.9000113.1E42 L44 C50 R56E42-P58 CarbonylContact C-O 3.43Å; E42-P58 HydrophobicContact CB-CB 4.24Å; E42-P58 WeakPolarHBondContact OE2-CB 3.34Å; L44-P58 VanDerWaalsContact CB-O 3.32Å; L44-P58 WeakPolarHBondContact CB-O 2.97Å; L44-P58 HydrophobicContact CD1-CB 3.79Å; L44-P58 HydrophobicContact CD1-CG 4.08Å; L44-P58 HydrophobicContact CG-CB 4.5Å; L44-P58 WeakPolarHBondContact CG-O 2.95Å; L44-P58 PolarHBondContact N-O 3.49Å; L44-P58 VanDerWaalsContact N-O 3.16Å; C50-P58 HydrophobicContact CB-CG 3.65Å; R56-P58 WeakPolarHBondContact O-CD 3.35Å
59C86.9Confident83.2Confident14 Ų1491.9 Ų91.910%0.09543%0.427CS..BIsolated β-bridgetrans-82.7129.1-177.9-53.20000111.1N57 A64 C71N57-C59 VanDerWaalsContact C-N 3.28Å; N57-C59 WeakPolarHBondContact OD1-CB 3.25Å; N57-C59 PolarHBondContact OD1-N 2.88Å; N57-C59 PolarHBondContact OD1-SG 3.28Å; C59-A64 HydrophobicContact CB-CB 4.11Å; C59-C71 WeakPolarHBondContact CA-SG 3.34Å; C59-C71 HydrophobicContact CB-CB 3.79Å; C59-C71 WeakPolarHBondContact CB-SG 3.19Å; C59-C71 WeakPolarHBondContact SG-CA 3.22Å; C59-C71 WeakPolarHBondContact SG-CB 3.03Å; C59-C71 CovalentContact SG-SG 2.04Å; C59-C71 PolarHBondContact SG-SG 2.85Å
60R86.6Confident83.4Confident176 Ų17688 Ų8866%0.66441%0.412SS*.  trans-66.8-40.4176.6-178.2-179.1-172.7177.6-5.6112.3N43 L44 E62N43-R60 HydrophobicContact CB-CB 4Å; N43-R60 HydrophobicContact CB-CG 4.09Å; N43-R60 WeakPolarHBondContact OD1-CG 3.28Å; L44-R60 WeakPolarHBondContact O-CB 3.33Å; L44-R60 PolarHBondContact O-N 2.81Å; R60-E62 PolarHBondContact O-N 3.39Å
61T86.3Confident83.6Confident21 Ų2187.3 Ų87.313%0.12941%0.407CS..SBendtrans-69.6124.2-170.3-58.10000109.9L46 N63 A64 C84L46-T61 HydrophobicContact CD1-CG2 4.05Å; L46-T61 HydrophobicContact CD2-CG2 4.37Å; L46-T61 HydrophobicContact CG-CG2 4.07Å; T61-N63 PolarHBondContact O-N 3.31Å; T61-A64 HydrophobicContact CG2-CB 4.35Å; T61-A64 WeakPolarHBondContact O-CB 3.17Å; T61-A64 PolarHBondContact O-N 3.47Å; T61-C84 HydrophobicContact CG2-CB 4.27Å
62E86.3Confident84Confident154 Ų15489.5 Ų89.572%0.7241%0.409SS*.THydrogen-bonded Turntrans-56.8139.1173.8-164.5-169.2158.400110R60 A64 C84R60-E62 PolarHBondContact O-N 3.39Å; E62-A64 PolarHBondContact O-N 2.8Å; E62-C84 WeakPolarHBondContact O-CB 3.19Å
63N89.8Confident84.6Confident41 Ų4185.4 Ų85.422%0.21939%0.393CS..THydrogen-bonded Turntrans6221.1-174-45.9-69.3000114.3T61 C73 I74 Y77 C84T61-N63 PolarHBondContact O-N 3.31Å; N63-C73 WeakPolarHBondContact O-CA 3.38Å; N63-I74 HydrophobicContact CB-CD1 4.03Å; N63-I74 HydrophobicContact CB-CG1 4.17Å; N63-I74 WeakPolarHBondContact O-CG1 3.49Å; N63-I74 PolarHBondContact O-N 3.06Å; N63-Y77 HydrophobicContact CB-CD1 3.42Å; N63-Y77 VanDerWaalsContact CB-CD1 3.42Å; N63-Y77 HydrophobicContact CB-CD2 3.96Å; N63-Y77 HydrophobicContact CB-CE1 3.52Å; N63-Y77 HydrophobicContact CB-CE2 4.05Å; N63-Y77 HydrophobicContact CB-CG 3.68Å; N63-Y77 WeakPolarHBondContact ND2-CE1 3.4Å; N63-Y77 VanDerWaalsContact OD1-CZ 3.28Å; N63-Y77 PolarHBondContact OD1-OH 3.45Å; N63-C84 HydrophobicContact CB-CB 3.96Å
64A89.5Confident85.2Confident3 Ų380.7 Ų80.73%0.02537%0.367CS..EExtended strand (participates in β ladder)trans-105.2153.8163.600000110.5L46 N57 C59 T61 E62 R72L46-A64 HydrophobicContact CD2-CB 3.62Å; N57-A64 PolarHBondContact ND2-O 2.86Å; C59-A64 HydrophobicContact CB-CB 4.11Å; T61-A64 HydrophobicContact CG2-CB 4.35Å; T61-A64 WeakPolarHBondContact O-CB 3.17Å; T61-A64 PolarHBondContact O-N 3.47Å; E62-A64 PolarHBondContact O-N 2.8Å; A64-R72 CarbonylContact C-O 3.45Å; A64-R72 WeakPolarHBondContact CA-O 3.48Å; A64-R72 WeakPolarHBondContact CB-O 3.44Å
65D89.9Confident85.8Confident70 Ų7080.9 Ų80.937%0.37439%0.388SS..EExtended strand (participates in β ladder)trans-143.6166.5172.1-161.75.9000110.2I67 R72 I74D65-I67 HydrophobicContact CB-CG1 4.38Å; D65-I67 PolarHBondContact O-N 3.23Å; D65-R72 PolarHBondContact N-O 2.8Å; D65-R72 PolarHBondContact O-N 3.27Å; D65-I74 HydrophobicContact CB-CG2 3.57Å
66C87Confident86Confident14 Ų1472 Ų7210%0.09536%0.359CS..EExtended strand (participates in β ladder)trans-76.5100.9175.8-167.40000110.4C50 E52C50-C66 HydrophobicContact CB-CB 3.9Å; C50-C66 WeakPolarHBondContact CB-SG 3.32Å; C50-C66 WeakPolarHBondContact SG-CA 3.43Å; C50-C66 WeakPolarHBondContact SG-CB 3.3Å; C50-C66 CovalentContact SG-SG 2.02Å; C50-C66 PolarHBondContact SG-SG 3.26Å; E52-C66 HydrophobicContact CG-CB 4.4Å
67I85.8Confident86.4Confident60 Ų6064.6 Ų64.631%0.30833%0.331SS..EExtended strand (participates in β ladder)trans-122.5119.4-176.9-54.8171.8000109.4D65 G69 R70 R72D65-I67 HydrophobicContact CB-CG1 4.38Å; D65-I67 PolarHBondContact O-N 3.23Å; I67-G69 VanDerWaalsContact C-N 3.3Å; I67-R70 PolarHBondContact N-O 3.14Å; I67-R70 PolarHBondContact O-N 3.04Å; I67-R72 HydrophobicContact CB-CB 4.32Å; I67-R72 HydrophobicContact CD1-CB 4.32Å; I67-R72 WeakPolarHBondContact O-CD 2.99Å
68N84.5Confident86.6Confident131 Ų13166.7 Ų66.770%0.70134%0.339SS*.THydrogen-bonded Turntrans55.243.6-172.6-59.9-43.3000112.4E52 R70E52-N68 WeakPolarHBondContact OE1-CA 3.44Å; E52-N68 PolarHBondContact OE1-N 2.02Å; N68-R70 VanDerWaalsContact C-N 3.26Å; N68-R70 PolarHBondContact O-N 2.01Å
69G85.3Confident86.7Confident23 Ų2372.1 Ų72.124%0.23736%0.363CS..THydrogen-bonded Turntrans67.718.4179.400000115.2R49 C50 E52 I67R49-G69 WeakPolarHBondContact CA-O 3.43Å; C50-G69 PolarHBondContact N-O 3.2Å; C50-G69 CarbonylContact O-C 3.53Å; C50-G69 WeakPolarHBondContact O-CA 3.41Å; C50-G69 VanDerWaalsContact SG-C 3.52Å; E52-G69 PolarHBondContact OE1-N 3.32Å; I67-G69 VanDerWaalsContact C-N 3.3Å
70R90.7Very high86.6Confident124 Ų12476.6 Ų76.647%0.46838%0.383SS..EExtended strand (participates in β ladder)trans-136.2148.9172.4-68.9-177.1-178.6-120.512112.7G47 D48 C50 I67 N68 R72G47-R70 PolarHBondContact O-NH1 3.1Å; D48-R70 CarbonylContact O-C 3.55Å; D48-R70 WeakPolarHBondContact O-CA 3.4Å; C50-R70 WeakPolarHBondContact SG-CA 3.31Å; C50-R70 PolarHBondContact SG-N 3.28Å; C50-R70 VanDerWaalsContact SG-N 3.35Å; I67-R70 PolarHBondContact N-O 3.14Å; I67-R70 PolarHBondContact O-N 3.04Å; N68-R70 VanDerWaalsContact C-N 3.26Å; N68-R70 PolarHBondContact O-N 2.01Å; R70-R72 HydrophobicContact CB-CG 4.31Å; R70-R72 PolarHBondContact O-N 3.18Å
71C90.2Very high86.4Confident1 Ų174.4 Ų74.41%0.00738%0.384CS..EExtended strand (participates in β ladder)trans-69114.2172.8-75.80000110.5A45 G47 D48 C50 C59A45-C71 VanDerWaalsContact O-CB 3.24Å; A45-C71 WeakPolarHBondContact O-CB 3.07Å; G47-C71 PolarHBondContact N-O 3.25Å; D48-C71 PolarHBondContact O-N 2.99Å; C50-C71 PolarHBondContact SG-N 3.47Å; C59-C71 WeakPolarHBondContact CA-SG 3.34Å; C59-C71 HydrophobicContact CB-CB 3.79Å; C59-C71 WeakPolarHBondContact CB-SG 3.19Å; C59-C71 WeakPolarHBondContact SG-CA 3.22Å; C59-C71 WeakPolarHBondContact SG-CB 3.03Å; C59-C71 CovalentContact SG-SG 2.04Å; C59-C71 PolarHBondContact SG-SG 2.85Å
72R91.4Very high86.3Confident132 Ų13277.6 Ų77.650%0.49841%0.407SS..EExtended strand (participates in β ladder)trans-138.4154.4-176-61.9-179.274.2176.43.3110.4A64 D65 I67 R70 I74A64-R72 CarbonylContact C-O 3.45Å; A64-R72 WeakPolarHBondContact CA-O 3.48Å; A64-R72 WeakPolarHBondContact CB-O 3.44Å; D65-R72 PolarHBondContact N-O 2.8Å; D65-R72 PolarHBondContact O-N 3.27Å; I67-R72 HydrophobicContact CB-CB 4.32Å; I67-R72 HydrophobicContact CD1-CB 4.32Å; I67-R72 WeakPolarHBondContact O-CD 2.99Å; R70-R72 HydrophobicContact CB-CG 4.31Å; R70-R72 PolarHBondContact O-N 3.18Å; R72-I74 PolarHBondContact O-N 3.25Å
73C90.2Very high86.4Confident24 Ų2477.9 Ų77.916%0.16240%0.402CS..EExtended strand (participates in β ladder)trans-59.6135.6174.5-580000111.9N63 C84N63-C73 WeakPolarHBondContact O-CA 3.38Å; C73-C84 WeakPolarHBondContact CA-SG 3.45Å; C73-C84 HydrophobicContact CB-CB 3.76Å; C73-C84 WeakPolarHBondContact CB-SG 2.97Å; C73-C84 WeakPolarHBondContact SG-CA 3.04Å; C73-C84 WeakPolarHBondContact SG-CB 3.38Å; C73-C84 CovalentContact SG-SG 2.04Å; C73-C84 PolarHBondContact SG-SG 3.08Å
74I88.2Confident86.4Confident56 Ų5676.3 Ų76.329%0.28739%0.394SS..PPolyproline II helixtrans-65.9164.6174.169.3-174.2000110.5N63 D65 R72 G76 Y77N63-I74 HydrophobicContact CB-CD1 4.03Å; N63-I74 HydrophobicContact CB-CG1 4.17Å; N63-I74 WeakPolarHBondContact O-CG1 3.49Å; N63-I74 PolarHBondContact O-N 3.06Å; D65-I74 HydrophobicContact CB-CG2 3.57Å; R72-I74 PolarHBondContact O-N 3.25Å; I74-G76 PolarHBondContact O-N 3.18Å; I74-Y77 HydrophobicContact CD1-CD2 4.12Å; I74-Y77 HydrophobicContact CD1-CE2 4.08Å; I74-Y77 HydrophobicContact CG1-CD2 3.59Å; I74-Y77 HydrophobicContact CG1-CE2 4.07Å; I74-Y77 HydrophobicContact CG1-CG 4.35Å; I74-Y77 PolarHBondContact O-N 3.31Å; I74-Y77 VanDerWaalsContact O-N 3.11Å
75S81Confident86.2Confident126 Ų12678 Ų7888%0.88140%0.404SS*.THydrogen-bonded Turntrans-55.4132.9178.1-1680000111.6
76G74.1Confident85.7Confident35 Ų3582 Ų8236%0.36142%0.418SS..THydrogen-bonded Turntrans94.3-4.9-176.400000115.1I74 K87I74-G76 PolarHBondContact O-N 3.18Å; G76-K87 WeakPolarHBondContact O-CB 3.02Å; G76-K87 PolarHBondContact O-N 3.45Å
77Y85.1Confident84.9Confident65 Ų6586.3 Ų86.326%0.25544%0.435SS..EExtended strand (participates in β ladder)trans-118.4155.4177.4-66.3-105000110.9N63 I74 C84 V85 K86 K87N63-Y77 HydrophobicContact CB-CD1 3.42Å; N63-Y77 VanDerWaalsContact CB-CD1 3.42Å; N63-Y77 HydrophobicContact CB-CD2 3.96Å; N63-Y77 HydrophobicContact CB-CE1 3.52Å; N63-Y77 HydrophobicContact CB-CE2 4.05Å; N63-Y77 HydrophobicContact CB-CG 3.68Å; N63-Y77 WeakPolarHBondContact ND2-CE1 3.4Å; N63-Y77 VanDerWaalsContact OD1-CZ 3.28Å; N63-Y77 PolarHBondContact OD1-OH 3.45Å; I74-Y77 HydrophobicContact CD1-CD2 4.12Å; I74-Y77 HydrophobicContact CD1-CE2 4.08Å; I74-Y77 HydrophobicContact CG1-CD2 3.59Å; I74-Y77 HydrophobicContact CG1-CE2 4.07Å; I74-Y77 HydrophobicContact CG1-CG 4.35Å; I74-Y77 PolarHBondContact O-N 3.31Å; I74-Y77 VanDerWaalsContact O-N 3.11Å; Y77-C84 HydrophobicContact CD1-CB 4.38Å; Y77-C84 WeakPolarHBondContact CD1-O 3.32Å; Y77-V85 CarbonylContact C-O 3.46Å; Y77-V85 WeakPolarHBondContact CA-O 3.01Å; Y77-V85 WeakPolarHBondContact CB-O 3.39Å; Y77-V85 WeakPolarHBondContact CD1-O 2.98Å; Y77-K86 HydrophobicContact CD1-CB 4.18Å; Y77-K86 HydrophobicContact CE1-CB 3.92Å; Y77-K87 VanDerWaalsContact O-CE 3.26Å; Y77-K87 WeakPolarHBondContact O-CE 2.86Å
78E85.9Confident83.4Confident121 Ų12190.2 Ų90.257%0.56545%0.452SS*.EExtended strand (participates in β ladder)trans-130.6148.7177.4-176.6162.8-158.800109.4E80 C84 V85 K87E78-E80 PolarHBondContact O-N 2.04Å; E78-C84 WeakPolarHBondContact O-CA 3.5Å; E78-V85 PolarHBondContact N-O 2.86Å; E78-V85 WeakPolarHBondContact O-CG2 3.35Å; E78-V85 PolarHBondContact O-N 3.05Å; E78-K87 HydrophobicContact CB-CG 3.81Å
79E85.4Confident81.8Confident123 Ų12388 Ų8858%0.57544%0.443SS*.EExtended strand (participates in β ladder)trans-77.5116.3179.2179.2174.7176.400109.5L46 R83L46-E79 HydrophobicContact CD1-CB 4.42Å; L46-E79 HydrophobicContact CD1-CG 3.8Å; E79-R83 WeakPolarHBondContact CA-O 3.43Å
80E84.7Confident80.1Confident109 Ų10997.8 Ų97.851%0.50947%0.473SS..EExtended strand (participates in β ladder)trans-134.8121.5173.6-171.8-179.9-153.300108.8E78 S82 R83 V85E78-E80 PolarHBondContact O-N 2.04Å; E80-S82 VanDerWaalsContact C-N 3.33Å; E80-S82 PolarHBondContact O-N 2.04Å; E80-R83 PolarHBondContact N-O 2.84Å; E80-R83 PolarHBondContact O-N 3.12Å; E80-R83 VanDerWaalsContact O-O 3.13Å; E80-V85 HydrophobicContact CB-CB 4.48Å; E80-V85 HydrophobicContact CB-CG1 4.12Å; E80-V85 HydrophobicContact CB-CG2 3.55Å; E80-V85 WeakPolarHBondContact OE2-CG2 3.33Å
81N82.3Confident78.3Confident129 Ų129101.7 Ų101.769%0.6949%0.488SS*.THydrogen-bonded Turntrans49.549.9179.9-61.5-50.5000113.1R83N81-R83 PolarHBondContact O-N 3.45Å; N81-R83 VanDerWaalsContact O-N 3.1Å
82S84.6Confident76.8Confident88 Ų88105.1 Ų105.162%0.61550%0.501SS*.THydrogen-bonded Turntrans6017.1-178.5-50.70000115.2E80E80-S82 VanDerWaalsContact C-N 3.33Å; E80-S82 PolarHBondContact O-N 2.04Å
83R89.3Confident75.5Confident160 Ų160105.2 Ų105.260%0.60451%0.51SS*.EExtended strand (participates in β ladder)trans-120.2146.6174-66.6-174.7-70.5165.6-1.9110E79 E80 N81 V85E79-R83 WeakPolarHBondContact CA-O 3.43Å; E80-R83 PolarHBondContact N-O 2.84Å; E80-R83 PolarHBondContact O-N 3.12Å; E80-R83 VanDerWaalsContact O-O 3.13Å; N81-R83 PolarHBondContact O-N 3.45Å; N81-R83 VanDerWaalsContact O-N 3.1Å; R83-V85 PolarHBondContact O-N 2.82Å
84C88.4Confident74.6Confident9 Ų9107.1 Ų107.16%0.06152%0.516CS..EExtended strand (participates in β ladder)trans-84.593.9167.6-64.60000108.1T61 E62 N63 C73 Y77 E78T61-C84 HydrophobicContact CG2-CB 4.27Å; E62-C84 WeakPolarHBondContact O-CB 3.19Å; N63-C84 HydrophobicContact CB-CB 3.96Å; C73-C84 WeakPolarHBondContact CA-SG 3.45Å; C73-C84 HydrophobicContact CB-CB 3.76Å; C73-C84 WeakPolarHBondContact CB-SG 2.97Å; C73-C84 WeakPolarHBondContact SG-CA 3.04Å; C73-C84 WeakPolarHBondContact SG-CB 3.38Å; C73-C84 CovalentContact SG-SG 2.04Å; C73-C84 PolarHBondContact SG-SG 3.08Å; Y77-C84 HydrophobicContact CD1-CB 4.38Å; Y77-C84 WeakPolarHBondContact CD1-O 3.32Å; E78-C84 WeakPolarHBondContact O-CA 3.5Å
85V85.2Confident74.1Confident39 Ų39108.4 Ų108.424%0.23653%0.53CS..EExtended strand (participates in β ladder)trans-79144.2170.6-640000107.8Y77 E78 E80 R83 K87Y77-V85 CarbonylContact C-O 3.46Å; Y77-V85 WeakPolarHBondContact CA-O 3.01Å; Y77-V85 WeakPolarHBondContact CB-O 3.39Å; Y77-V85 WeakPolarHBondContact CD1-O 2.98Å; E78-V85 PolarHBondContact N-O 2.86Å; E78-V85 WeakPolarHBondContact O-CG2 3.35Å; E78-V85 PolarHBondContact O-N 3.05Å; E80-V85 HydrophobicContact CB-CB 4.48Å; E80-V85 HydrophobicContact CB-CG1 4.12Å; E80-V85 HydrophobicContact CB-CG2 3.55Å; E80-V85 WeakPolarHBondContact OE2-CG2 3.33Å; R83-V85 PolarHBondContact O-N 2.82Å; V85-K87 PolarHBondContact O-N 2.82Å
86K79.5Confident73.9Confident152 Ų152103 Ų10366%0.66149%0.492SS*.EExtended strand (participates in β ladder)trans-52.6133.7168.5-172.7175.8-174.6173.60105.6Y77 E88Y77-K86 HydrophobicContact CD1-CB 4.18Å; Y77-K86 HydrophobicContact CE1-CB 3.92Å; K86-E88 PolarHBondContact O-N 3.41Å
87K70.4Confident73.7Confident105 Ų105104.9 Ų104.946%0.45750%0.498SS..  trans-51.7104.2167.7-75.4179.5-174.8-173.60104.7G76 Y77 E78 V85 T89G76-K87 WeakPolarHBondContact O-CB 3.02Å; G76-K87 PolarHBondContact O-N 3.45Å; Y77-K87 VanDerWaalsContact O-CE 3.26Å; Y77-K87 WeakPolarHBondContact O-CE 2.86Å; E78-K87 HydrophobicContact CB-CG 3.81Å; V85-K87 PolarHBondContact O-N 2.82Å; K87-T89 PolarHBondContact O-N 3.47Å
88E56Low72.9Confident142 Ų142103.5 Ų103.566%0.66450%0.498SS*.  trans-61105.2170.5-172160.2-175.900100.9K86 R90K86-E88 PolarHBondContact O-N 3.41Å; E88-R90 WeakPolarHBondContact O-CA 3.45Å; E88-R90 PolarHBondContact O-N 3.23Å
89T49.1Very low71.8Confident84 Ų84105.4 Ų105.452%0.51551%0.511SS..  trans-58.890.5175.933.60000103.1K87 R91 R92K87-T89 PolarHBondContact O-N 3.47Å; T89-R91 VanDerWaalsContact O-CA 3.32Å; T89-R91 WeakPolarHBondContact O-CA 3.26Å; T89-R91 PolarHBondContact O-N 3.42Å; T89-R92 PolarHBondContact O-N 3.25Å
90R50.8Low71.5Confident230 Ų230102.3 Ų102.387%0.86851%0.507SS*.THydrogen-bonded Turntrans-28.7104-162.4-69.5-173.3-173.1179.91.2106.9E88 R92E88-R90 WeakPolarHBondContact O-CA 3.45Å; E88-R90 PolarHBondContact O-N 3.23Å; R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 WeakPolarHBondContact O-CA 3.19Å; R90-R92 PolarHBondContact O-N 2.64Å
91R51.7Low71.4Confident206 Ų20698.5 Ų98.578%0.77749%0.492SS*.THydrogen-bonded Turntrans-18.691.2-163.7-78.8-173.8175.3-163-0.2109.6T89 I93T89-R91 VanDerWaalsContact O-CA 3.32Å; T89-R91 WeakPolarHBondContact O-CA 3.26Å; T89-R91 PolarHBondContact O-N 3.42Å; R91-I93 WeakPolarHBondContact O-CG1 3.37Å; R91-I93 PolarHBondContact O-N 2.98Å
92R60.1Low71.2Confident72 Ų7294.9 Ų94.927%0.27247%0.472SS..  trans-54.3113.8-161.1-79.5-179.1176.2-162.80.4105.7T89 R90 H94 Y134 E150T89-R92 PolarHBondContact O-N 3.25Å; R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 WeakPolarHBondContact O-CA 3.19Å; R90-R92 PolarHBondContact O-N 2.64Å; R92-H94 PolarHBondContact O-CE1 2.98Å; R92-H94 PolarHBondContact O-N 3.21Å; R92-H94 PolarHBondContact O-ND1 3.1Å; R92-Y134 HydrophobicContact CB-CD1 3.72Å; R92-Y134 HydrophobicContact CB-CE1 3.6Å; R92-Y134 HydrophobicContact CG-CD1 3.8Å; R92-Y134 HydrophobicContact CG-CE1 3.94Å; R92-Y134 HydrophobicContact CG-CG 4.27Å; R92-Y134 VanDerWaalsContact NH1-CD2 3.27Å; R92-E150 IonicContact CZ-OE2 3.39Å; R92-E150 IonicContact NH1-OE2 2.79Å; R92-E150 PolarHBondContact NH1-OE2 3.23Å; R92-E150 IonicContact NH2-OE2 2.65Å; R92-E150 PolarHBondContact NH2-OE2 3.02Å
93I64.2Low71Confident134 Ų13494.7 Ų94.769%0.68747%0.467SS*.  trans-72.1109.1-172.8-63.6176.6000105.4R91 S95 F152R91-I93 WeakPolarHBondContact O-CG1 3.37Å; R91-I93 PolarHBondContact O-N 2.98Å; I93-S95 VanDerWaalsContact C-N 3.26Å; I93-S95 VanDerWaalsContact CG2-OG 3.26Å; I93-S95 WeakPolarHBondContact CG2-OG 3.39Å; I93-S95 PolarHBondContact O-N 3.46Å; I93-F152 WeakPolarHBondContact O-CE1 3.12Å
94H71.3Confident70.5Confident65 Ų6591.2 Ų91.230%0.30146%0.464SS..  trans-94.753-178.9-58.4103.8000110.3R92 P101 I108 Y134 F152R92-H94 PolarHBondContact O-CE1 2.98Å; R92-H94 PolarHBondContact O-N 3.21Å; R92-H94 PolarHBondContact O-ND1 3.1Å; H94-P101 HydrophobicContact CB-CG 4.18Å; H94-I108 HydrophobicContact CB-CD1 3.83Å; H94-I108 VanDerWaalsContact CG-CD1 3.49Å; H94-Y134 AromaticContact CD2-CE1 3.72Å; H94-Y134 AromaticContact NE2-CE1 3.53Å; H94-Y134 AromaticContact NE2-CZ 3.87Å; H94-Y134 PolarHBondContact NE2-OH 3.2Å; H94-F152 VanDerWaalsContact CA-CZ 3.49Å; H94-F152 HydrophobicContact CB-CD2 4.41Å; H94-F152 HydrophobicContact CB-CE2 4.2Å; H94-F152 HydrophobicContact CB-CZ 4.38Å; H94-F152 AromaticContact CD2-CD1 3.84Å; H94-F152 AromaticContact CD2-CG 3.83Å
95S76Confident70Confident82 Ų8294.7 Ų94.757%0.57350%0.5SS*.  trans-92.7117.7179.3-64.70000110I93I93-S95 VanDerWaalsContact C-N 3.26Å; I93-S95 VanDerWaalsContact CG2-OG 3.26Å; I93-S95 WeakPolarHBondContact CG2-OG 3.39Å; I93-S95 PolarHBondContact O-N 3.46Å
96C77Confident69.7Low13 Ų1396.3 Ų96.39%0.08853%0.525CS..BIsolated β-bridgetrans-92.9151.1170-660000110.7S98 L99 A100 P101 C154C96-S98 PolarHBondContact O-N 2.04Å; C96-L99 PolarHBondContact O-N 3.25Å; C96-L99 VanDerWaalsContact O-N 3.07Å; C96-A100 VanDerWaalsContact SG-C 3.58Å; C96-A100 PolarHBondContact SG-O 3.17Å; C96-P101 WeakPolarHBondContact SG-CA 2.95Å; C96-C154 WeakPolarHBondContact CA-SG 3.45Å; C96-C154 HydrophobicContact CB-CB 3.66Å; C96-C154 WeakPolarHBondContact CB-SG 3.03Å; C96-C154 WeakPolarHBondContact SG-CA 3.49Å; C96-C154 WeakPolarHBondContact SG-CB 2.95Å; C96-C154 CovalentContact SG-SG 2.03Å; C96-C154 PolarHBondContact SG-SG 2.87Å
97P70.4Confident69.7Low74 Ų7496.9 Ų96.948%0.48153%0.528SS..THydrogen-bonded Turntrans-56.8-37.8167.3-24.535.7000112L99 F130 M157P97-L99 PolarHBondContact O-N 2.9Å; P97-F130 HydrophobicContact CG-CZ 3.92Å; P97-M157 HydrophobicContact CB-CG 4.46Å; P97-M157 HydrophobicContact CB-SD 3.84Å
98S68.6Low70.3Confident37 Ų3794.6 Ų94.626%0.25952%0.52SS..THydrogen-bonded Turntrans-82.126.8175630000113.8C96 A100 P155C96-S98 PolarHBondContact O-N 2.04Å; S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.44Å; S98-P155 WeakPolarHBondContact OG-CD 3.4Å; S98-P155 VanDerWaalsContact OG-CG 3.28Å; S98-P155 WeakPolarHBondContact OG-CG 3.47Å; S98-P155 PolarHBondContact OG-O 2.94Å
99L63Low71.7Confident160 Ų16091.7 Ų91.784%0.83851%0.505SS*.BIsolated β-bridgetrans73.7-56.8178.8-52.9167.3000116.1C96 P97C96-L99 PolarHBondContact O-N 3.25Å; C96-L99 VanDerWaalsContact O-N 3.07Å; P97-L99 PolarHBondContact O-N 2.9Å
100A78.3Confident73.5Confident59 Ų5994.3 Ų94.349%0.48851%0.509SS..SBendtrans-117.6140-171.600000113.9C96 S98 P155C96-A100 VanDerWaalsContact SG-C 3.58Å; C96-A100 PolarHBondContact SG-O 3.17Å; S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.44Å; A100-P155 VanDerWaalsContact O-CD 3.25Å; A100-P155 WeakPolarHBondContact O-CD 3.44Å
101P82.3Confident75.2Confident29 Ų2983.7 Ų83.719%0.18847%0.47CS..  trans-71.5150.517431.5-35.7000112.2H94 C96 T103 I108 F152H94-P101 HydrophobicContact CB-CG 4.18Å; C96-P101 WeakPolarHBondContact SG-CA 2.95Å; P101-T103 PolarHBondContact O-N 3.49Å; P101-I108 HydrophobicContact CB-CG1 4.45Å; P101-I108 HydrophobicContact CB-CG2 4.06Å; P101-I108 HydrophobicContact CG-CD1 3.95Å; P101-I108 HydrophobicContact CG-CG1 4.04Å; P101-F152 HydrophobicContact CB-CD2 3.86Å; P101-F152 HydrophobicContact CB-CE2 4.26Å
102L80.1Confident76.7Confident52 Ų5277.6 Ų77.627%0.27245%0.451SS..  trans-66.7126.6176.5-173.370.3000109.6K109 P126 C153L102-K109 HydrophobicContact CD2-CB 4.48Å; L102-K109 PolarHBondContact O-N 2.91Å; L102-P126 HydrophobicContact CD2-CG 3.26Å; L102-C153 HydrophobicContact CB-CB 4.11Å; L102-C153 WeakPolarHBondContact CB-O 3.14Å; L102-C153 HydrophobicContact CD2-CB 4.22Å; L102-C153 PolarHBondContact N-O 3.26Å
103T79.5Confident77.8Confident84 Ų8475 Ų7552%0.51544%0.442SS..EExtended strand (participates in β ladder)trans-109.3133.7175.1590000110.4P101 K107 I108P101-T103 PolarHBondContact O-N 3.49Å; T103-K107 CarbonylContact C-O 3.51Å; T103-K107 VanDerWaalsContact CA-O 3.28Å; T103-K107 WeakPolarHBondContact CA-O 3.5Å; T103-I108 HydrophobicContact CG2-CG1 4.38Å
104V78.7Confident78.6Confident88 Ų8871.1 Ų71.153%0.53343%0.425SS..EExtended strand (participates in β ladder)trans-124119.3174.1178.70000106.9G106 K107 K109V104-G106 VanDerWaalsContact C-N 3.3Å; V104-G106 PolarHBondContact O-N 3.34Å; V104-K107 PolarHBondContact N-O 2.88Å; V104-K107 PolarHBondContact O-N 3.26Å; V104-K109 HydrophobicContact CG2-CB 4.15Å; V104-K109 HydrophobicContact CG2-CD 4.24Å; V104-K109 HydrophobicContact CG2-CG 4.38Å
105G78.7Confident78.7Confident81 Ų8171.9 Ų71.984%0.83543%0.427SS*.THydrogen-bonded Turntrans6136.4-17500000113.5K107G105-K107 PolarHBondContact O-N 3.02Å
106G77.3Confident78.4Confident74 Ų7470.8 Ų70.876%0.76342%0.42SS*.THydrogen-bonded Turntrans73.41.2179.900000115.4V104V104-G106 VanDerWaalsContact C-N 3.3Å; V104-G106 PolarHBondContact O-N 3.34Å
107K81.4Confident77.6Confident164 Ų16481.2 Ų81.271%0.71346%0.457SS*.EExtended strand (participates in β ladder)trans-111142.9176.3-66179.7-178.4175.10110.3T103 V104 G105 K109T103-K107 CarbonylContact C-O 3.51Å; T103-K107 VanDerWaalsContact CA-O 3.28Å; T103-K107 WeakPolarHBondContact CA-O 3.5Å; V104-K107 PolarHBondContact N-O 2.88Å; V104-K107 PolarHBondContact O-N 3.26Å; G105-K107 PolarHBondContact O-N 3.02Å; K107-K109 PolarHBondContact O-N 2.97Å
108I81.8Confident77.2Confident56 Ų5685 Ų8529%0.28747%0.473SS..EExtended strand (participates in β ladder)trans-58.6126.1173.7-63.9174.7000108.9H94 P101 T103 K110 F152H94-I108 HydrophobicContact CB-CD1 3.83Å; H94-I108 VanDerWaalsContact CG-CD1 3.49Å; P101-I108 HydrophobicContact CB-CG1 4.45Å; P101-I108 HydrophobicContact CB-CG2 4.06Å; P101-I108 HydrophobicContact CG-CD1 3.95Å; P101-I108 HydrophobicContact CG-CG1 4.04Å; T103-I108 HydrophobicContact CG2-CG1 4.38Å; I108-K110 PolarHBondContact O-N 2.04Å; I108-F152 HydrophobicContact CG2-CB 3.72Å; I108-F152 HydrophobicContact CG2-CG 4.46Å
109K85.4Confident76.8Confident82 Ų8291.5 Ų91.536%0.35749%0.492SS..  trans-71.3110.1178.4-179.964177.7-178.10109L102 V104 K107 F152 C153L102-K109 HydrophobicContact CD2-CB 4.48Å; L102-K109 PolarHBondContact O-N 2.91Å; V104-K109 HydrophobicContact CG2-CB 4.15Å; V104-K109 HydrophobicContact CG2-CD 4.24Å; V104-K109 HydrophobicContact CG2-CG 4.38Å; K107-K109 PolarHBondContact O-N 2.97Å; K109-F152 CarbonylContact O-C 3.49Å; K109-F152 WeakPolarHBondContact O-CA 3.22Å; K109-C153 HydrophobicContact CB-CB 4.24Å; K109-C153 HydrophobicContact CG-CB 4.15Å; K109-C153 PolarHBondContact O-N 3.33Å
110K86.7Confident76.9Confident138 Ų13887.2 Ų87.260%0.648%0.476SS*.EExtended strand (participates in β ladder)trans-74.3151.1172-63.1-176.3-179.5-177.90110.7I108 G151I108-K110 PolarHBondContact O-N 2.04Å; K110-G151 WeakPolarHBondContact CA-O 3.05Å
111C85.9Confident76.5Confident7 Ų788 Ų885%0.04748%0.476CS..EExtended strand (participates in β ladder)trans-139.4166.917755.40000112.7N124 C125 C131 G151 F152C111-N124 WeakPolarHBondContact CA-OD1 3.32Å; C111-N124 WeakPolarHBondContact CB-OD1 3.31Å; C111-C125 WeakPolarHBondContact CB-SG 3.28Å; C111-C131 HydrophobicContact CB-CB 3.76Å; C111-C131 WeakPolarHBondContact CB-SG 3.38Å; C111-C131 WeakPolarHBondContact SG-CA 3.49Å; C111-C131 WeakPolarHBondContact SG-CB 3.34Å; C111-C131 CovalentContact SG-SG 2.01Å; C111-C131 PolarHBondContact SG-SG 3.04Å; C111-G151 PolarHBondContact N-O 3.1Å; C111-G151 PolarHBondContact O-N 2.88Å; C111-F152 WeakPolarHBondContact SG-CA 3.47Å; C111-F152 PolarHBondContact SG-N 3.43Å; C111-F152 PolarHBondContact SG-O 3.5Å; C111-F152 VanDerWaalsContact SG-O 3.38Å
112E84.1Confident76.3Confident78 Ų7892.7 Ų92.736%0.36449%0.493SS..EExtended strand (participates in β ladder)trans-129.4125.4179.7-171.3178.5114.500109.4D123 N124 I148 A149E112-D123 WeakPolarHBondContact O-CA 3.25Å; E112-N124 PolarHBondContact N-OD1 3.05Å; E112-I148 HydrophobicContact CG-CG2 3.22Å; E112-I148 WeakPolarHBondContact OE1-CG2 3.33Å; E112-A149 CarbonylContact C-O 3.44Å; E112-A149 WeakPolarHBondContact CA-O 3.04Å
113I83.2Confident76.4Confident17 Ų1793.4 Ų93.49%0.08750%0.497CS..EExtended strand (participates in β ladder)trans-98.3116.4175.9-48.3178000107.9F115 P121 C131 I148 A149I113-F115 HydrophobicContact CB-CE2 4.26Å; I113-F115 HydrophobicContact CB-CZ 4.12Å; I113-F115 HydrophobicContact CG2-CD1 4.22Å; I113-F115 HydrophobicContact CG2-CE1 3.7Å; I113-F115 HydrophobicContact CG2-CE2 4.07Å; I113-F115 HydrophobicContact CG2-CZ 3.61Å; I113-P121 HydrophobicContact CG2-CB 3.8Å; I113-C131 HydrophobicContact CD1-CB 4.12Å; I113-C131 HydrophobicContact CG1-CB 3.76Å; I113-C131 WeakPolarHBondContact CG1-SG 3.34Å; I113-I148 WeakPolarHBondContact O-CA 3.41Å; I113-A149 HydrophobicContact CB-CB 4.39Å; I113-A149 PolarHBondContact N-O 3.18Å; I113-A149 PolarHBondContact O-N 2.59Å
114T81.2Confident76.7Confident53 Ų5393.7 Ų93.733%0.32550%0.496SS..EExtended strand (participates in β ladder)trans-92.5113.1172.5-56.40000109.5K122T114-K122 PolarHBondContact N-O 2.76Å; T114-K122 PolarHBondContact O-N 2.9Å
115F72.6Confident77Confident81 Ų8190.4 Ų90.436%0.35548%0.476SS..  trans-87.3110.7173.2-59.3-74.8000110I113 P121 A146 G147 A149I113-F115 HydrophobicContact CB-CE2 4.26Å; I113-F115 HydrophobicContact CB-CZ 4.12Å; I113-F115 HydrophobicContact CG2-CD1 4.22Å; I113-F115 HydrophobicContact CG2-CE1 3.7Å; I113-F115 HydrophobicContact CG2-CE2 4.07Å; I113-F115 HydrophobicContact CG2-CZ 3.61Å; F115-P121 HydrophobicContact CD1-CB 4.3Å; F115-P121 HydrophobicContact CD1-CG 4.27Å; F115-P121 HydrophobicContact CE1-CB 4.3Å; F115-P121 HydrophobicContact CE1-CG 4.31Å; F115-A146 WeakPolarHBondContact O-CA 3.45Å; F115-G147 VanDerWaalsContact CD2-O 3.23Å; F115-G147 WeakPolarHBondContact CD2-O 3.28Å; F115-G147 PolarHBondContact N-O 3.4Å; F115-A149 HydrophobicContact CE2-CB 3.63Å; F115-A149 HydrophobicContact CZ-CB 4.29Å
116S69.5Low77.1Confident60 Ų6089.3 Ų89.342%0.4245%0.454SS..  trans-103.1143.7169.9-64.10000109.5D118S116-D118 PolarHBondContact O-N 3.05Å
117R61.4Low77.1Confident231 Ų23193.6 Ų93.687%0.87246%0.455SS*.THydrogen-bonded Turntrans-59.4-32.3-178.2-72.9-173.1175-166.9-3.5113.6
118D62.6Low76.8Confident153 Ų15386 Ų8682%0.81842%0.423SS*.THydrogen-bonded Turntrans-113.88.9-167.5-49-47.6000113.6S116S116-D118 PolarHBondContact O-N 3.05Å
119R59.4Low76.9Confident175 Ų17583.9 Ų83.966%0.6641%0.413SS*.SBendtrans-139149-176-61-173.1-175.2-165.60.5111.2
120S64.9Low76.7Confident70 Ų7081.2 Ų81.249%0.4940%0.402SS..PPolyproline II helixtrans-49.8140.2166.657.30000109.4K122S120-K122 PolarHBondContact O-N 3.46Å
121P70.2Confident76.7Confident76 Ų7675.3 Ų75.349%0.49438%0.377SS..PPolyproline II helixtrans-49.6131.1178-23.431.4000110.2I113 F115I113-P121 HydrophobicContact CG2-CB 3.8Å; F115-P121 HydrophobicContact CD1-CB 4.3Å; F115-P121 HydrophobicContact CD1-CG 4.27Å; F115-P121 HydrophobicContact CE1-CB 4.3Å; F115-P121 HydrophobicContact CE1-CG 4.31Å
122K77.3Confident76.6Confident127 Ų12776.6 Ų76.655%0.55239%0.385SS*.BIsolated β-bridgetrans-103.6131175.1-72-168.6173.8-163.30109T114 S120T114-K122 PolarHBondContact N-O 2.76Å; T114-K122 PolarHBondContact O-N 2.9Å; S120-K122 PolarHBondContact O-N 3.46Å
123D82.5Confident76.5Confident66 Ų6674.8 Ų74.835%0.35338%0.381SS..  trans-114.5167.3170.470.245.1000111.6E112 C125 C131E112-D123 WeakPolarHBondContact O-CA 3.25Å; D123-C125 WeakPolarHBondContact OD1-CB 3.15Å; D123-C125 PolarHBondContact OD1-N 3.12Å; D123-C131 HydrophobicContact CB-CB 3.41Å; D123-C131 VanDerWaalsContact CB-CB 3.41Å; D123-C131 WeakPolarHBondContact OD2-CB 3.44Å; D123-C131 PolarHBondContact OD2-N 3.14Å
124N86.8Confident76.3Confident91 Ų9176.8 Ų76.849%0.48739%0.388SS..  trans-105.424.5176.463.8-8.2000112C111 E112C111-N124 WeakPolarHBondContact CA-OD1 3.32Å; C111-N124 WeakPolarHBondContact CB-OD1 3.31Å; E112-N124 PolarHBondContact N-OD1 3.05Å
125C84.7Confident75.7Confident18 Ų1876.3 Ų76.312%0.12239%0.393CS..PPolyproline II helixtrans-75.3150.4174.8-750000110.8C111 D123 S129 C153C111-C125 WeakPolarHBondContact CB-SG 3.28Å; D123-C125 WeakPolarHBondContact OD1-CB 3.15Å; D123-C125 PolarHBondContact OD1-N 3.12Å; C125-S129 WeakPolarHBondContact CB-OG 3.3Å; C125-C153 WeakPolarHBondContact CA-SG 3.5Å; C125-C153 HydrophobicContact CB-CB 3.94Å; C125-C153 WeakPolarHBondContact CB-SG 3.13Å; C125-C153 WeakPolarHBondContact SG-CA 3.44Å; C125-C153 WeakPolarHBondContact SG-CB 2.99Å; C125-C153 CovalentContact SG-SG 2.04Å; C125-C153 PolarHBondContact SG-SG 3.14Å
126P80.7Confident74.9Confident58 Ų5877.9 Ų77.938%0.37741%0.414SS..PPolyproline II helixtrans-64.8159.917625.8-31.6000111.6L102 S129L102-P126 HydrophobicContact CD2-CG 3.26Å; P126-S129 WeakPolarHBondContact CD-OG 3.28Å; P126-S129 WeakPolarHBondContact CG-OG 3.25Å; P126-S129 PolarHBondContact O-N 2.81Å; P126-S129 VanDerWaalsContact O-N 3.13Å; P126-S129 PolarHBondContact O-OG 2.87Å
127E76.6Confident74.1Confident165 Ų16577.5 Ų77.577%0.77141%0.41SS*.THydrogen-bonded Turntrans-54.4142.9178.6-69-174.5167.800112.3S129 Q172E127-S129 PolarHBondContact O-N 3.4Å; E127-Q172 PolarHBondContact O-NE2 2.84Å
128G74.7Confident73.4Confident5 Ų571.6 Ų71.65%0.05240%0.402CS..THydrogen-bonded Turntrans75.18.6-175.600000114.8K156 Q172 R194G128-K156 PolarHBondContact O-N 3.02Å; G128-Q172 VanDerWaalsContact CA-NE2 3.34Å; G128-R194 PolarHBondContact O-NH2 2.86Å
129S83.5Confident72.7Confident11 Ų1169.7 Ų69.78%0.07741%0.408CS..EExtended strand (participates in β ladder)trans-128.3171.117271.20000111.1C125 P126 E127 C154C125-S129 WeakPolarHBondContact CB-OG 3.3Å; P126-S129 WeakPolarHBondContact CD-OG 3.28Å; P126-S129 WeakPolarHBondContact CG-OG 3.25Å; P126-S129 PolarHBondContact O-N 2.81Å; P126-S129 VanDerWaalsContact O-N 3.13Å; P126-S129 PolarHBondContact O-OG 2.87Å; E127-S129 PolarHBondContact O-N 3.4Å; S129-C154 CarbonylContact C-O 3.56Å; S129-C154 WeakPolarHBondContact CA-O 3.4Å; S129-C154 WeakPolarHBondContact CB-O 3.34Å
130F82.8Confident72.1Confident26 Ų2666.4 Ų66.411%0.11441%0.411CS..EExtended strand (participates in β ladder)trans-144.6155.1179.372-80.8000110.3P97 V132 C153 C154 P155 K156 I192P97-F130 HydrophobicContact CG-CZ 3.92Å; F130-V132 HydrophobicContact CD2-CG2 4.08Å; F130-V132 HydrophobicContact CE2-CG2 3.35Å; F130-V132 HydrophobicContact CZ-CG2 3.86Å; F130-C153 WeakPolarHBondContact O-CA 3.26Å; F130-C154 HydrophobicContact CD1-CB 4.12Å; F130-C154 VanDerWaalsContact CD1-O 3.28Å; F130-C154 WeakPolarHBondContact CD1-O 3.37Å; F130-C154 HydrophobicContact CE1-CB 3.58Å; F130-C154 HydrophobicContact CE2-CB 4.41Å; F130-C154 HydrophobicContact CZ-CB 3.74Å; F130-C154 PolarHBondContact N-O 2.9Å; F130-C154 PolarHBondContact O-N 2.92Å; F130-P155 WeakPolarHBondContact CE1-O 3.23Å; F130-K156 HydrophobicContact CD1-CG 4.06Å; F130-I192 HydrophobicContact CD2-CG2 4.16Å; F130-I192 HydrophobicContact CE1-CB 4.48Å; F130-I192 HydrophobicContact CE1-CG2 4.49Å; F130-I192 HydrophobicContact CE2-CG2 3.93Å; F130-I192 HydrophobicContact CZ-CB 4.49Å; F130-I192 HydrophobicContact CZ-CG2 4.12Å
131C85.9Confident71Confident13 Ų1366 Ų669%0.08842%0.419CS..EExtended strand (participates in β ladder)trans-87.1122.2-178.9-170.30000112.8C111 I113 D123C111-C131 HydrophobicContact CB-CB 3.76Å; C111-C131 WeakPolarHBondContact CB-SG 3.38Å; C111-C131 WeakPolarHBondContact SG-CA 3.49Å; C111-C131 WeakPolarHBondContact SG-CB 3.34Å; C111-C131 CovalentContact SG-SG 2.01Å; C111-C131 PolarHBondContact SG-SG 3.04Å; I113-C131 HydrophobicContact CD1-CB 4.12Å; I113-C131 HydrophobicContact CG1-CB 3.76Å; I113-C131 WeakPolarHBondContact CG1-SG 3.34Å; D123-C131 HydrophobicContact CB-CB 3.41Å; D123-C131 VanDerWaalsContact CB-CB 3.41Å; D123-C131 WeakPolarHBondContact OD2-CB 3.44Å; D123-C131 PolarHBondContact OD2-N 3.14Å
132V84Confident69.9Low34 Ų3472.9 Ų72.921%0.20644%0.441CS..EExtended strand (participates in β ladder)trans-96118.2169.2177.30000109F130 G151 F152 C154F130-V132 HydrophobicContact CD2-CG2 4.08Å; F130-V132 HydrophobicContact CE2-CG2 3.35Å; F130-V132 HydrophobicContact CZ-CG2 3.86Å; V132-G151 CarbonylContact O-C 3.58Å; V132-G151 WeakPolarHBondContact O-CA 3.05Å; V132-F152 HydrophobicContact CB-CD1 4.44Å; V132-F152 HydrophobicContact CB-CE1 3.99Å; V132-F152 HydrophobicContact CB-CE2 4.19Å; V132-F152 HydrophobicContact CB-CZ 3.84Å; V132-F152 HydrophobicContact CG1-CE1 3.8Å; V132-F152 HydrophobicContact CG1-CE2 4.48Å; V132-F152 HydrophobicContact CG1-CZ 3.69Å; V132-F152 PolarHBondContact N-O 3.18Å; V132-F152 WeakPolarHBondContact O-CD1 3.39Å; V132-F152 PolarHBondContact O-N 2.74Å; V132-C154 HydrophobicContact CG2-CB 4.08Å; V132-C154 WeakPolarHBondContact CG2-SG 2.96Å
133S82.8Confident68.3Low40 Ų4075.1 Ų75.128%0.2845%0.446SS..EExtended strand (participates in β ladder)trans-68.4145.2177.3-176.70000111.9G135 E150S133-G135 PolarHBondContact O-N 2.95Å; S133-G135 PolarHBondContact OG-N 3.39Å; S133-G135 PolarHBondContact OG-O 3.41Å; S133-E150 WeakPolarHBondContact CA-O 3.4Å; S133-E150 PolarHBondContact OG-O 3.39Å
134Y78.1Confident66.8Low60 Ų6079.9 Ų79.924%0.23547%0.47CS..SBendtrans-69.3-7.4170-64-62.1000113.8R92 H94 E150 G151 F152R92-Y134 HydrophobicContact CB-CD1 3.72Å; R92-Y134 HydrophobicContact CB-CE1 3.6Å; R92-Y134 HydrophobicContact CG-CD1 3.8Å; R92-Y134 HydrophobicContact CG-CE1 3.94Å; R92-Y134 HydrophobicContact CG-CG 4.27Å; R92-Y134 VanDerWaalsContact NH1-CD2 3.27Å; H94-Y134 AromaticContact CD2-CE1 3.72Å; H94-Y134 AromaticContact NE2-CE1 3.53Å; H94-Y134 AromaticContact NE2-CZ 3.87Å; H94-Y134 PolarHBondContact NE2-OH 3.2Å; Y134-E150 HydrophobicContact CD2-CB 3.99Å; Y134-E150 WeakPolarHBondContact CD2-O 3.44Å; Y134-E150 HydrophobicContact CE2-CB 4.33Å; Y134-E150 PolarHBondContact N-O 3.28Å; Y134-G151 VanDerWaalsContact CE2-C 3.44Å; Y134-G151 VanDerWaalsContact CE2-CA 3.49Å; Y134-G151 VanDerWaalsContact CE2-O 3.31Å; Y134-G151 WeakPolarHBondContact CE2-O 3.41Å; Y134-F152 AromaticContact CD1-CD1 3.88Å; Y134-F152 HydrophobicContact CD1-CD1 3.88Å; Y134-F152 HydrophobicContact CD1-CE1 4.12Å; Y134-F152 HydrophobicContact CE1-CB 4.49Å; Y134-F152 AromaticContact CE1-CD1 3.33Å; Y134-F152 HydrophobicContact CE1-CD1 3.33Å; Y134-F152 AromaticContact CE1-CE1 3.94Å; Y134-F152 HydrophobicContact CE1-CE1 3.94Å; Y134-F152 HydrophobicContact CE1-CG 4.28Å; Y134-F152 AromaticContact CZ-CD1 3.84Å
135G68.2Low64.9Low42 Ų4284.3 Ų84.343%0.43348%0.48SS..SBendtrans138.1178.1-175.800000111.3S133S133-G135 PolarHBondContact O-N 2.95Å; S133-G135 PolarHBondContact OG-N 3.39Å; S133-G135 PolarHBondContact OG-O 3.41Å
136S55.8Low63.4Low115 Ų11586.6 Ų86.680%0.80450%0.501SS*.SBendtrans-52.1140.3-178.8-57.20000111.8
137P54Low62.7Low51 Ų5184.8 Ų84.833%0.33149%0.492SS..PPolyproline II helixtrans-50.3144177-14.919.3000110.3A139 A149P137-A139 PolarHBondContact O-N 3.17Å; P137-A139 VanDerWaalsContact O-N 3.08Å; P137-A149 HydrophobicContact CG-CB 4.34Å
138P46.8Very low62.4Low108 Ų10881.3 Ų81.370%0.70148%0.478SS*.PPolyproline II helixtrans-54.8124.417622.2-30.9000108.6S140P138-S140 PolarHBondContact O-N 3.41Å
139A47.9Very low62.6Low113 Ų11381.1 Ų81.193%0.93448%0.476SS*.  trans-71.552.5177.500000110.9P137P137-A139 PolarHBondContact O-N 3.17Å; P137-A139 VanDerWaalsContact O-N 3.08Å
140S45.7Very low62.5Low105 Ų10585.9 Ų85.973%0.73450%0.497SS*.  trans-102.893.3172.664.30000108.8P138P138-S140 PolarHBondContact O-N 3.41Å
141G42.2Very low62.7Low63 Ų6384.6 Ų84.665%0.64949%0.491SS*.SBendtrans128118.4166.600000112.9R143G141-R143 PolarHBondContact O-N 3.34Å
142K46.3Very low62.7Low220 Ų22084.1 Ų84.196%0.95749%0.488SS*.SBendtrans-6024.3-177-79.8179.8171.5178.60116.4
143R44.6Very low62.9Low174 Ų17482.5 Ų82.566%0.65748%0.478SS*.  trans-143.8103.3173.8-66.1-172.6176.3177.9-1.6108.3G141 R145G141-R143 PolarHBondContact O-N 3.34Å; R143-R145 HydrophobicContact CB-CG 4.1Å; R143-R145 PolarHBondContact O-N 3.07Å
144L50.1Low62.9Low165 Ų16580.6 Ų80.686%0.86447%0.465SS*.  trans-6365.6162.8-79.7141.9000109.3
145R46.4Very low63.1Low184 Ų18479.6 Ų79.669%0.69447%0.465SS*.SBendtrans-95109.6169.5-78.8178.2176.9-168.8-3.8104.8R143R143-R145 HydrophobicContact CB-CG 4.1Å; R143-R145 PolarHBondContact O-N 3.07Å
146A55.2Low63.4Low67 Ų6780.1 Ų80.155%0.55446%0.456SS*.SBendtrans43.479.2173.600000112.9F115 I148F115-A146 WeakPolarHBondContact O-CA 3.45Å; A146-I148 PolarHBondContact O-N 2.97Å
147G65.2Low64.2Low20 Ų2076.9 Ų76.921%0.20643%0.428CS..  trans-59.8131.5175.300000109.6F115F115-G147 VanDerWaalsContact CD2-O 3.23Å; F115-G147 WeakPolarHBondContact CD2-O 3.28Å; F115-G147 PolarHBondContact N-O 3.4Å
148I70.4Confident64.9Low91 Ų9177.7 Ų77.747%0.46743%0.43SS..EExtended strand (participates in β ladder)trans-100.8121.9164.1-69.4175.6000105.8E112 I113 A146E112-I148 HydrophobicContact CG-CG2 3.22Å; E112-I148 WeakPolarHBondContact OE1-CG2 3.33Å; I113-I148 WeakPolarHBondContact O-CA 3.41Å; A146-I148 PolarHBondContact O-N 2.97Å
149A77.7Confident66.2Low1 Ų172.6 Ų72.61%0.00840%0.397CS..EExtended strand (participates in β ladder)trans-111.6131.2171.800000110.9E112 I113 F115 P137E112-A149 CarbonylContact C-O 3.44Å; E112-A149 WeakPolarHBondContact CA-O 3.04Å; I113-A149 HydrophobicContact CB-CB 4.39Å; I113-A149 PolarHBondContact N-O 3.18Å; I113-A149 PolarHBondContact O-N 2.59Å; F115-A149 HydrophobicContact CE2-CB 3.63Å; F115-A149 HydrophobicContact CZ-CB 4.29Å; P137-A149 HydrophobicContact CG-CB 4.34Å
150E82.4Confident67.5Low111 Ų11172 Ų7252%0.51938%0.382SS..EExtended strand (participates in β ladder)trans-78.3147.6170.8-63.8-172.6165.800111R92 S133 Y134R92-E150 IonicContact CZ-OE2 3.39Å; R92-E150 IonicContact NH1-OE2 2.79Å; R92-E150 PolarHBondContact NH1-OE2 3.23Å; R92-E150 IonicContact NH2-OE2 2.65Å; R92-E150 PolarHBondContact NH2-OE2 3.02Å; S133-E150 WeakPolarHBondContact CA-O 3.4Å; S133-E150 PolarHBondContact OG-O 3.39Å; Y134-E150 HydrophobicContact CD2-CB 3.99Å; Y134-E150 WeakPolarHBondContact CD2-O 3.44Å; Y134-E150 HydrophobicContact CE2-CB 4.33Å; Y134-E150 PolarHBondContact N-O 3.28Å
151G87.1Confident69Low0 Ų067.7 Ų67.70%035%0.352CS..EExtended strand (participates in β ladder)trans-157.6-165178.200000113.5K110 C111 V132 Y134K110-G151 WeakPolarHBondContact CA-O 3.05Å; C111-G151 PolarHBondContact N-O 3.1Å; C111-G151 PolarHBondContact O-N 2.88Å; V132-G151 CarbonylContact O-C 3.58Å; V132-G151 WeakPolarHBondContact O-CA 3.05Å; Y134-G151 VanDerWaalsContact CE2-C 3.44Å; Y134-G151 VanDerWaalsContact CE2-CA 3.49Å; Y134-G151 VanDerWaalsContact CE2-O 3.31Å; Y134-G151 WeakPolarHBondContact CE2-O 3.41Å
152F86.9Confident70.4Confident2 Ų268.8 Ų68.81%0.00935%0.347CS..EExtended strand (participates in β ladder)trans-134.1150.2171.959.7-78.6000110.9I93 H94 P101 I108 K109 C111 V132 Y134 C154I93-F152 WeakPolarHBondContact O-CE1 3.12Å; H94-F152 VanDerWaalsContact CA-CZ 3.49Å; H94-F152 HydrophobicContact CB-CD2 4.41Å; H94-F152 HydrophobicContact CB-CE2 4.2Å; H94-F152 HydrophobicContact CB-CZ 4.38Å; H94-F152 AromaticContact CD2-CD1 3.84Å; H94-F152 AromaticContact CD2-CG 3.83Å; P101-F152 HydrophobicContact CB-CD2 3.86Å; P101-F152 HydrophobicContact CB-CE2 4.26Å; I108-F152 HydrophobicContact CG2-CB 3.72Å; I108-F152 HydrophobicContact CG2-CG 4.46Å; K109-F152 CarbonylContact O-C 3.49Å; K109-F152 WeakPolarHBondContact O-CA 3.22Å; C111-F152 WeakPolarHBondContact SG-CA 3.47Å; C111-F152 PolarHBondContact SG-N 3.43Å; C111-F152 PolarHBondContact SG-O 3.5Å; C111-F152 VanDerWaalsContact SG-O 3.38Å; V132-F152 HydrophobicContact CB-CD1 4.44Å; V132-F152 HydrophobicContact CB-CE1 3.99Å; V132-F152 HydrophobicContact CB-CE2 4.19Å; V132-F152 HydrophobicContact CB-CZ 3.84Å; V132-F152 HydrophobicContact CG1-CE1 3.8Å; V132-F152 HydrophobicContact CG1-CE2 4.48Å; V132-F152 HydrophobicContact CG1-CZ 3.69Å; V132-F152 PolarHBondContact N-O 3.18Å; V132-F152 WeakPolarHBondContact O-CD1 3.39Å; V132-F152 PolarHBondContact O-N 2.74Å; Y134-F152 AromaticContact CD1-CD1 3.88Å; Y134-F152 HydrophobicContact CD1-CD1 3.88Å; Y134-F152 HydrophobicContact CD1-CE1 4.12Å; Y134-F152 HydrophobicContact CE1-CB 4.49Å; Y134-F152 AromaticContact CE1-CD1 3.33Å; Y134-F152 HydrophobicContact CE1-CD1 3.33Å; Y134-F152 AromaticContact CE1-CE1 3.94Å; Y134-F152 HydrophobicContact CE1-CE1 3.94Å; Y134-F152 HydrophobicContact CE1-CG 4.28Å; Y134-F152 AromaticContact CZ-CD1 3.84Å; F152-C154 WeakPolarHBondContact CE2-SG 3.44Å
153C87.9Confident71.6Confident0 Ų060.8 Ų60.80%032%0.317CS..EExtended strand (participates in β ladder)trans-80.8131.4-178.3-60.70000111.3L102 K109 C125 F130L102-C153 HydrophobicContact CB-CB 4.11Å; L102-C153 WeakPolarHBondContact CB-O 3.14Å; L102-C153 HydrophobicContact CD2-CB 4.22Å; L102-C153 PolarHBondContact N-O 3.26Å; K109-C153 HydrophobicContact CB-CB 4.24Å; K109-C153 HydrophobicContact CG-CB 4.15Å; K109-C153 PolarHBondContact O-N 3.33Å; C125-C153 WeakPolarHBondContact CA-SG 3.5Å; C125-C153 HydrophobicContact CB-CB 3.94Å; C125-C153 WeakPolarHBondContact CB-SG 3.13Å; C125-C153 WeakPolarHBondContact SG-CA 3.44Å; C125-C153 WeakPolarHBondContact SG-CB 2.99Å; C125-C153 CovalentContact SG-SG 2.04Å; C125-C153 PolarHBondContact SG-SG 3.14Å; F130-C153 WeakPolarHBondContact O-CA 3.26Å
154C82.6Confident72.9Confident0 Ų054.4 Ų54.40%031%0.305CS..EExtended strand (participates in β ladder)trans-114.3140.8171.8-710000110C96 S129 F130 V132 F152C96-C154 WeakPolarHBondContact CA-SG 3.45Å; C96-C154 HydrophobicContact CB-CB 3.66Å; C96-C154 WeakPolarHBondContact CB-SG 3.03Å; C96-C154 WeakPolarHBondContact SG-CA 3.49Å; C96-C154 WeakPolarHBondContact SG-CB 2.95Å; C96-C154 CovalentContact SG-SG 2.03Å; C96-C154 PolarHBondContact SG-SG 2.87Å; S129-C154 CarbonylContact C-O 3.56Å; S129-C154 WeakPolarHBondContact CA-O 3.4Å; S129-C154 WeakPolarHBondContact CB-O 3.34Å; F130-C154 HydrophobicContact CD1-CB 4.12Å; F130-C154 VanDerWaalsContact CD1-O 3.28Å; F130-C154 WeakPolarHBondContact CD1-O 3.37Å; F130-C154 HydrophobicContact CE1-CB 3.58Å; F130-C154 HydrophobicContact CE2-CB 4.41Å; F130-C154 HydrophobicContact CZ-CB 3.74Å; F130-C154 PolarHBondContact N-O 2.9Å; F130-C154 PolarHBondContact O-N 2.92Å; V132-C154 HydrophobicContact CG2-CB 4.08Å; V132-C154 WeakPolarHBondContact CG2-SG 2.96Å; F152-C154 WeakPolarHBondContact CE2-SG 3.44Å
155P81.3Confident74.1Confident39 Ų3953.1 Ų53.125%0.25330%0.299SS..EExtended strand (participates in β ladder)trans-61.8143.9170.416.4-15.1000110.2S98 A100 F130S98-P155 WeakPolarHBondContact OG-CD 3.4Å; S98-P155 VanDerWaalsContact OG-CG 3.28Å; S98-P155 WeakPolarHBondContact OG-CG 3.47Å; S98-P155 PolarHBondContact OG-O 2.94Å; A100-P155 VanDerWaalsContact O-CD 3.25Å; A100-P155 WeakPolarHBondContact O-CD 3.44Å; F130-P155 WeakPolarHBondContact CE1-O 3.23Å
156K74.1Confident75.6Confident54 Ų5446 Ų4624%0.23528%0.276CS..PPolyproline II helixtrans-65.2150.2170.6-70-175.1-178.7-169.80109.9G128 F130 H191 I192 R194G128-K156 PolarHBondContact O-N 3.02Å; F130-K156 HydrophobicContact CD1-CG 4.06Å; K156-H191 WeakPolarHBondContact CE-O 3.4Å; K156-H191 PolarHBondContact NZ-O 3.27Å; K156-I192 CarbonylContact C-O 3.44Å; K156-I192 VanDerWaalsContact CA-O 3.31Å; K156-I192 WeakPolarHBondContact CA-O 3.19Å; K156-I192 VanDerWaalsContact CB-O 3.32Å; K156-I192 WeakPolarHBondContact CB-O 3.43Å; K156-R194 HydrophobicContact CB-CB 4.08Å
157M72.8Confident76.7Confident46 Ų4646.6 Ų46.623%0.22727%0.269CS..EExtended strand (participates in β ladder)trans-75.7147.1173.6-63.8-179.5-61.900110.2P97 I192 W193 R194P97-M157 HydrophobicContact CB-CG 4.46Å; P97-M157 HydrophobicContact CB-SD 3.84Å; M157-I192 HydrophobicContact CE-CB 4.43Å; M157-I192 HydrophobicContact CE-CD1 3.53Å; M157-I192 HydrophobicContact CE-CG1 3.83Å; M157-I192 PolarHBondContact N-O 2.9Å; M157-W193 HydrophobicContact CB-CD2 4.45Å; M157-W193 HydrophobicContact CB-CE3 3.94Å; M157-W193 HydrophobicContact CB-CZ3 4.05Å; M157-W193 HydrophobicContact CE-CD2 4.14Å; M157-W193 HydrophobicContact CE-CE3 4.47Å; M157-W193 HydrophobicContact CE-CH2 4.02Å; M157-W193 HydrophobicContact CE-CZ2 3.63Å; M157-W193 HydrophobicContact CE-CZ3 4.42Å; M157-R194 PolarHBondContact O-N 2.81Å
158D69.7Low76.9Confident68 Ų6851.4 Ų51.436%0.36428%0.282SS..EExtended strand (participates in β ladder)trans-71.1132.8175.4-57-41.3000109.5Y168 W193 R194D158-Y168 HydrophobicContact CB-CE1 4.38Å; D158-Y168 VanDerWaalsContact OD1-CE1 3.3Å; D158-Y168 WeakPolarHBondContact OD1-CE1 3.43Å; D158-Y168 PolarHBondContact OD2-OH 3.39Å; D158-Y168 VanDerWaalsContact OD2-OH 3.04Å; D158-W193 VanDerWaalsContact O-CZ3 3.25Å; D158-W193 WeakPolarHBondContact O-CZ3 3.34Å; D158-R194 IonicContact OD1-NH1 3.76Å
159S74.3Confident77Confident2 Ų248.3 Ų48.31%0.01427%0.267CS..PPolyproline II helixtrans-66.2141.1174-71.60000110.3Q187 S188 R194S159-Q187 WeakPolarHBondContact OG-CA 3.26Å; S159-S188 WeakPolarHBondContact CA-OG 3.44Å; S159-S188 WeakPolarHBondContact CB-OG 3.48Å; S159-S188 PolarHBondContact OG-N 2.87Å; S159-R194 VanDerWaalsContact CB-O 3.28Å; S159-R194 WeakPolarHBondContact CB-O 3.34Å; S159-R194 PolarHBondContact OG-O 3.19Å
160V75.4Confident76Confident101 Ų10153.1 Ų53.161%0.61231%0.307SS*.PPolyproline II helixtrans-85.7121.1178-178.10000108.2H186 S188 W193V160-H186 PolarHBondContact O-CD2 2.81Å; V160-H186 VanDerWaalsContact O-CD2 3.31Å; V160-H186 PolarHBondContact O-NE2 3.08Å; V160-S188 PolarHBondContact N-OG 2.84Å; V160-S188 PolarHBondContact O-OG 3.38Å; V160-S188 VanDerWaalsContact O-OG 3.12Å; V160-W193 HydrophobicContact CG2-CZ3 4.47Å
161C76.4Confident75Confident14 Ų1453 Ų5310%0.09531%0.31CS..PPolyproline II helixtrans-75.8142.2178.3-69.50000111.9V163 P166 C198C161-V163 WeakPolarHBondContact CB-O 3.5Å; C161-V163 PolarHBondContact O-N 2.86Å; C161-P166 WeakPolarHBondContact SG-CA 3.49Å; C161-C198 WeakPolarHBondContact CA-SG 3.42Å; C161-C198 HydrophobicContact CB-CB 3.64Å; C161-C198 WeakPolarHBondContact CB-SG 3.24Å; C161-C198 WeakPolarHBondContact SG-CA 3.42Å; C161-C198 WeakPolarHBondContact SG-CB 3.03Å; C161-C198 CovalentContact SG-SG 2.04Å; C161-C198 PolarHBondContact SG-SG 3.18Å
162P72.2Confident73.8Confident86 Ų8656.4 Ų56.456%0.55833%0.326SS*.SBendtrans-61-35.6173.3-24.935.4000112.8F184P162-F184 HydrophobicContact CG-CZ 4.04Å
163V72.1Confident73.1Confident52 Ų5259.8 Ų59.832%0.31534%0.344SS..SBendtrans-139.9143.3175.2176.80000109.1C161 P201 L208C161-V163 WeakPolarHBondContact CB-O 3.5Å; C161-V163 PolarHBondContact O-N 2.86Å; V163-P201 HydrophobicContact CB-CB 4.33Å; V163-P201 HydrophobicContact CG2-CB 3.74Å; V163-L208 HydrophobicContact CG2-CD2 4.44Å
164G71.6Confident72.6Confident39 Ų3959.8 Ų59.840%0.40234%0.344SS..SBendtrans73.6-166.4178.700000113.5
165N74.9Confident72.5Confident139 Ų13966.6 Ų66.674%0.74338%0.376SS*.  trans-105.2145.7178.7-66.6-45.1000110.3I167N165-I167 PolarHBondContact O-N 2.86Å
166P78.5Confident72.3Confident34 Ų3472.4 Ų72.422%0.22140%0.397CS..PPolyproline II helixtrans-64.7133176.327-34.3000111.6C161 V196C161-P166 WeakPolarHBondContact SG-CA 3.49Å; P166-V196 HydrophobicContact CB-CB 3.8Å; P166-V196 HydrophobicContact CB-CG1 4.1Å; P166-V196 HydrophobicContact CB-CG2 3.59Å
167I76.7Confident72.5Confident79 Ų7972.7 Ų72.741%0.40540%0.401SS..BIsolated β-bridgetrans-100.7134.9171.7-55.4-179.2000109.6N165 H183 C197N165-I167 PolarHBondContact O-N 2.86Å; I167-H183 WeakPolarHBondContact CD1-NE2 3.28Å; I167-C197 HydrophobicContact CB-CB 3.93Å; I167-C197 PolarHBondContact N-O 2.6Å; I167-C197 WeakPolarHBondContact O-CB 3.16Å; I167-C197 PolarHBondContact O-N 2.85Å; I167-C197 VanDerWaalsContact O-N 3.1Å
168Y70.5Confident72.9Confident122 Ų12270.8 Ų70.848%0.47839%0.392SS..PPolyproline II helixtrans-94.3131.7179.5-54.1-77.4000111.4D158 V196D158-Y168 HydrophobicContact CB-CE1 4.38Å; D158-Y168 VanDerWaalsContact OD1-CE1 3.3Å; D158-Y168 WeakPolarHBondContact OD1-CE1 3.43Å; D158-Y168 PolarHBondContact OD2-OH 3.39Å; D158-Y168 VanDerWaalsContact OD2-OH 3.04Å; Y168-V196 HydrophobicContact CE1-CG1 4.35Å
169V71.9Confident73.5Confident25 Ų2569.7 Ų69.715%0.15239%0.389CS..PPolyproline II helixtrans-101139.5172.6-66.80000110.7D171 Q172 N177V169-D171 VanDerWaalsContact C-N 3.27Å; V169-D171 PolarHBondContact O-N 2.01Å; V169-Q172 PolarHBondContact O-N 2.86Å; V169-N177 HydrophobicContact CB-CB 3.58Å; V169-N177 HydrophobicContact CG1-CB 3.53Å; V169-N177 HydrophobicContact CG2-CB 4.19Å
170A57.8Low73.5Confident102 Ų10274.3 Ų74.384%0.84341%0.41SS*.THydrogen-bonded Turntrans-59.9-31.7-17000000114.3
171D60.5Low73.4Confident108 Ų10873.9 Ų73.958%0.57841%0.405SS*.THydrogen-bonded Turntrans-102.99-175.6-58.4-38000114.3V169 N173 N177V169-D171 VanDerWaalsContact C-N 3.27Å; V169-D171 PolarHBondContact O-N 2.01Å; D171-N173 HydrophobicContact CB-CB 4.49Å; D171-N173 PolarHBondContact O-N 2.04Å; D171-N177 PolarHBondContact OD2-ND2 2.88Å
172Q61Low73.3Confident73 Ų7376.4 Ų76.434%0.34142%0.42SS..SBendtrans53.13.2-171.4-57.9-177.125.500115.5E127 G128 V169 C174E127-Q172 PolarHBondContact O-NE2 2.84Å; G128-Q172 VanDerWaalsContact CA-NE2 3.34Å; V169-Q172 PolarHBondContact O-N 2.86Å; Q172-C174 PolarHBondContact O-N 3.13Å; Q172-C174 VanDerWaalsContact O-N 3.14Å
173N73.5Confident73.7Confident73 Ų7373.4 Ų73.439%0.3940%0.398SS..  trans-84.983.3171.5-170.5-14.4000108.1D171 K176 N177D171-N173 HydrophobicContact CB-CB 4.49Å; D171-N173 PolarHBondContact O-N 2.04Å; N173-K176 HydrophobicContact CB-CB 4.44Å; N173-K176 PolarHBondContact O-N 3.06Å; N173-K176 PolarHBondContact OD1-N 2.91Å; N173-N177 WeakPolarHBondContact O-CB 3.42Å; N173-N177 PolarHBondContact O-N 2.61Å; N173-N177 VanDerWaalsContact O-N 3.14Å
174C77.8Confident74.3Confident0 Ų073.8 Ų73.80%040%0.396CS..Hα-helixtrans-58.7-49.7-178-175.20000110.3Q172 K176 N177 C178 C185 E195Q172-C174 PolarHBondContact O-N 3.13Å; Q172-C174 VanDerWaalsContact O-N 3.14Å; C174-K176 PolarHBondContact O-N 2.03Å; C174-N177 PolarHBondContact O-N 3.41Å; C174-N177 VanDerWaalsContact O-N 3.12Å; C174-C178 WeakPolarHBondContact O-CA 3.12Å; C174-C178 WeakPolarHBondContact O-CB 3.46Å; C174-C178 PolarHBondContact O-N 3.23Å; C174-C185 HydrophobicContact CB-CB 3.87Å; C174-C185 WeakPolarHBondContact CB-SG 3.37Å; C174-C185 PolarHBondContact O-SG 2.71Å; C174-C185 WeakPolarHBondContact SG-CA 3.32Å; C174-C185 WeakPolarHBondContact SG-CB 3.41Å; C174-C185 CovalentContact SG-SG 2.04Å; C174-C185 PolarHBondContact SG-SG 3.31Å; C174-E195 HydrophobicContact CB-CG 3.71Å; C174-E195 WeakPolarHBondContact CB-OE2 3.47Å
175E78.9Confident74.8Confident143 Ų14373.4 Ų73.467%0.66839%0.387SS*.Hα-helixtrans-51.1-41.5-176.3-65.5-177.8169.500113.4Q180 C185E175-Q180 PolarHBondContact O-NE2 3.04Å; E175-C185 PolarHBondContact N-SG 2.99Å; E175-C185 VanDerWaalsContact N-SG 3.44Å
176K77.1Confident75.1Confident161 Ų16169 Ų6970%0.736%0.362SS*.Hα-helixtrans-80.1-38.4-178.2-172.2180176.9-171.70113.7N173 C174N173-K176 HydrophobicContact CB-CB 4.44Å; N173-K176 PolarHBondContact O-N 3.06Å; N173-K176 PolarHBondContact OD1-N 2.91Å; C174-K176 PolarHBondContact O-N 2.03Å
177N79.4Confident75.2Confident60 Ų6071.6 Ų71.632%0.32137%0.371SS..Hα-helixtrans-102.8-9.4-168.9-68-28.7000113.1V169 D171 N173 C174V169-N177 HydrophobicContact CB-CB 3.58Å; V169-N177 HydrophobicContact CG1-CB 3.53Å; V169-N177 HydrophobicContact CG2-CB 4.19Å; D171-N177 PolarHBondContact OD2-ND2 2.88Å; N173-N177 WeakPolarHBondContact O-CB 3.42Å; N173-N177 PolarHBondContact O-N 2.61Å; N173-N177 VanDerWaalsContact O-N 3.14Å; C174-N177 PolarHBondContact O-N 3.41Å; C174-N177 VanDerWaalsContact O-N 3.12Å
178C80.9Confident75Confident6 Ų670 Ų704%0.04137%0.367CS..SBendtrans-77.4132.4176.5-150.20000110.6C174 Q180 C197C174-C178 WeakPolarHBondContact O-CA 3.12Å; C174-C178 WeakPolarHBondContact O-CB 3.46Å; C174-C178 PolarHBondContact O-N 3.23Å; C178-Q180 PolarHBondContact O-N 3.3Å; C178-C197 WeakPolarHBondContact CA-SG 3.05Å; C178-C197 HydrophobicContact CB-CB 4.37Å; C178-C197 WeakPolarHBondContact CB-SG 3.36Å; C178-C197 WeakPolarHBondContact SG-CA 3.48Å; C178-C197 WeakPolarHBondContact SG-CB 3.35Å; C178-C197 CovalentContact SG-SG 2.04Å; C178-C197 PolarHBondContact SG-SG 2.96Å
179P81.4Confident74.8Confident45 Ų4565.5 Ų65.529%0.29236%0.357SS..  trans-68.196.4174.927.2-32.2000109.6D181 T182 H183P179-D181 WeakPolarHBondContact CB-OD1 3.34Å; P179-D181 PolarHBondContact O-N 3.45Å; P179-D181 VanDerWaalsContact O-N 3.08Å; P179-T182 PolarHBondContact O-N 3.34Å; P179-H183 HydrophobicContact CG-CB 3.94Å; P179-H183 WeakPolarHBondContact CG-ND1 3.07Å; P179-H183 WeakPolarHBondContact O-CA 3.31Å; P179-H183 WeakPolarHBondContact O-CB 3.39Å; P179-H183 PolarHBondContact O-N 2.82Å
180Q76.1Confident74.8Confident98 Ų9871.8 Ų71.846%0.45839%0.385SS..THydrogen-bonded Turntrans-63.6-14.4-173.5-64.8-65.5-22.300114E175 C178 K200E175-Q180 PolarHBondContact O-NE2 3.04Å; C178-Q180 PolarHBondContact O-N 3.3Å; Q180-K200 WeakPolarHBondContact O-CE 3.05Å; Q180-K200 PolarHBondContact O-NZ 2.68Å
181D72.2Confident75.2Confident93 Ų9372.8 Ų72.850%0.49737%0.372SS..THydrogen-bonded Turntrans-75.9-44.6177.561.2-21.2000111.8P179P179-D181 WeakPolarHBondContact CB-OD1 3.34Å; P179-D181 PolarHBondContact O-N 3.45Å; P179-D181 VanDerWaalsContact O-N 3.08Å
182T73.4Confident75.6Confident67 Ų6770.7 Ų70.741%0.41136%0.36SS..THydrogen-bonded Turntrans-110.1-23.3-171.148.70000113.3P179 K200P179-T182 PolarHBondContact O-N 3.34Å; T182-K200 WeakPolarHBondContact O-CB 3.39Å; T182-K200 PolarHBondContact O-N 3.4Å
183H82.4Confident76.1Confident23 Ų2370.1 Ų70.111%0.10636%0.355CS..EExtended strand (participates in β ladder)trans-126.7164.2-174.7-64.466.5000111.3I167 P179 C197 C198 E199 K200I167-H183 WeakPolarHBondContact CD1-NE2 3.28Å; P179-H183 HydrophobicContact CG-CB 3.94Å; P179-H183 WeakPolarHBondContact CG-ND1 3.07Å; P179-H183 WeakPolarHBondContact O-CA 3.31Å; P179-H183 WeakPolarHBondContact O-CB 3.39Å; P179-H183 PolarHBondContact O-N 2.82Å; H183-C197 HydrophobicContact CB-CB 4.32Å; H183-C198 CarbonylContact C-O 3.59Å; H183-C198 WeakPolarHBondContact CA-O 3.01Å; H183-C198 WeakPolarHBondContact CB-O 3.24Å; H183-C198 VanDerWaalsContact CD2-C 3.46Å; H183-E199 PolarHBondContact CD2-N 3.3Å; H183-K200 WeakPolarHBondContact O-CE 3.33Å
184F82.9Confident76.1Confident59 Ų5969.7 Ų69.726%0.25935%0.348SS..EExtended strand (participates in β ladder)trans-135156171.572.7-78.5000109.8P162 H186 C198 K200P162-F184 HydrophobicContact CG-CZ 4.04Å; F184-H186 HydrophobicContact CD2-CB 4.28Å; F184-H186 HydrophobicContact CE2-CB 3.67Å; F184-H186 HydrophobicContact CZ-CB 4.21Å; F184-C198 HydrophobicContact CD1-CB 4.12Å; F184-C198 VanDerWaalsContact CD1-O 3.31Å; F184-C198 WeakPolarHBondContact CD1-O 3.38Å; F184-C198 HydrophobicContact CE1-CB 3.57Å; F184-C198 HydrophobicContact CE2-CB 4.43Å; F184-C198 HydrophobicContact CZ-CB 3.75Å; F184-C198 PolarHBondContact N-O 2.73Å; F184-C198 PolarHBondContact O-N 3.17Å; F184-K200 HydrophobicContact CB-CG 4.4Å; F184-K200 HydrophobicContact CD1-CG 3.95Å
185C83.1Confident76.2Confident32 Ų3273.1 Ų73.122%0.21636%0.364CS..EExtended strand (participates in β ladder)trans-79.6128.7176.2-67.30000110.7C174 E175 E195C174-C185 HydrophobicContact CB-CB 3.87Å; C174-C185 WeakPolarHBondContact CB-SG 3.37Å; C174-C185 PolarHBondContact O-SG 2.71Å; C174-C185 WeakPolarHBondContact SG-CA 3.32Å; C174-C185 WeakPolarHBondContact SG-CB 3.41Å; C174-C185 CovalentContact SG-SG 2.04Å; C174-C185 PolarHBondContact SG-SG 3.31Å; E175-C185 PolarHBondContact N-SG 2.99Å; E175-C185 VanDerWaalsContact N-SG 3.44Å; C185-E195 HydrophobicContact CB-CG 4.08Å
186H82.1Confident76.3Confident47 Ų4766.4 Ų66.422%0.21833%0.332CS..EExtended strand (participates in β ladder)trans-132.6139.2-178.6-174.559000111.9V160 F184 S188 E195 V196 C198V160-H186 PolarHBondContact O-CD2 2.81Å; V160-H186 VanDerWaalsContact O-CD2 3.31Å; V160-H186 PolarHBondContact O-NE2 3.08Å; F184-H186 HydrophobicContact CD2-CB 4.28Å; F184-H186 HydrophobicContact CE2-CB 3.67Å; F184-H186 HydrophobicContact CZ-CB 4.21Å; H186-S188 PolarHBondContact NE2-OG 2.74Å; H186-E195 WeakPolarHBondContact O-CA 3.47Å; H186-V196 PolarHBondContact N-O 3.39Å; H186-V196 PolarHBondContact O-N 2.68Å; H186-C198 HydrophobicContact CB-CB 4.2Å; H186-C198 VanDerWaalsContact CB-SG 3.51Å
187Q79.1Confident76.6Confident87 Ų8758.7 Ų58.741%0.40730%0.299SS..  trans-127.9116.9169.7-159.3-173.18.900109S159 G189 E190 W193S159-Q187 WeakPolarHBondContact OG-CA 3.26Å; Q187-G189 WeakPolarHBondContact CG-O 3.45Å; Q187-G189 PolarHBondContact NE2-O 2.91Å; Q187-G189 PolarHBondContact O-N 3.2Å; Q187-E190 PolarHBondContact NE2-O 3.3Å; Q187-W193 HydrophobicContact CG-CB 4.02Å; Q187-W193 PolarHBondContact NE2-O 3.11Å
188S73.2Confident76.8Confident47 Ų4755.9 Ų55.933%0.32928%0.284SS..SBendtrans-74.8-7.8-175.1-53.60000114S159 V160 H186S159-S188 WeakPolarHBondContact CA-OG 3.44Å; S159-S188 WeakPolarHBondContact CB-OG 3.48Å; S159-S188 PolarHBondContact OG-N 2.87Å; V160-S188 PolarHBondContact N-OG 2.84Å; V160-S188 PolarHBondContact O-OG 3.38Å; V160-S188 VanDerWaalsContact O-OG 3.12Å; H186-S188 PolarHBondContact NE2-OG 2.74Å
189G66.2Low76.8Confident27 Ų2760.1 Ų60.128%0.27830%0.303SS..SBendtrans-171.7-162.6177.500000112.1Q187 W193Q187-G189 WeakPolarHBondContact CG-O 3.45Å; Q187-G189 PolarHBondContact NE2-O 2.91Å; Q187-G189 PolarHBondContact O-N 3.2Å; G189-W193 VanDerWaalsContact C-CD1 3.45Å
190E71.8Confident76.7Confident156 Ų15661.1 Ų61.173%0.72930%0.303SS*.SBendtrans-82.5-150.4-173.7-57.8-170.8163.800113.5Q187 I192 W193Q187-E190 PolarHBondContact NE2-O 3.3Å; E190-I192 PolarHBondContact O-N 2.85Å; E190-W193 PolarHBondContact O-N 2.87Å
191H66.8Low76.6Confident123 Ų12359 Ų5957%0.56930%0.297SS*.THydrogen-bonded Turntrans-46.1-24.4-167.4-63.2-66.1000117.5K156K156-H191 WeakPolarHBondContact CE-O 3.4Å; K156-H191 PolarHBondContact NZ-O 3.27Å
192I68.5Low76.8Confident64 Ų6454.9 Ų54.933%0.32828%0.276SS..THydrogen-bonded Turntrans-83.6-13179.166.9-178.8000113.9F130 K156 M157 E190F130-I192 HydrophobicContact CD2-CG2 4.16Å; F130-I192 HydrophobicContact CE1-CB 4.48Å; F130-I192 HydrophobicContact CE1-CG2 4.49Å; F130-I192 HydrophobicContact CE2-CG2 3.93Å; F130-I192 HydrophobicContact CZ-CB 4.49Å; F130-I192 HydrophobicContact CZ-CG2 4.12Å; K156-I192 CarbonylContact C-O 3.44Å; K156-I192 VanDerWaalsContact CA-O 3.31Å; K156-I192 WeakPolarHBondContact CA-O 3.19Å; K156-I192 VanDerWaalsContact CB-O 3.32Å; K156-I192 WeakPolarHBondContact CB-O 3.43Å; M157-I192 HydrophobicContact CE-CB 4.43Å; M157-I192 HydrophobicContact CE-CD1 3.53Å; M157-I192 HydrophobicContact CE-CG1 3.83Å; M157-I192 PolarHBondContact N-O 2.9Å; E190-I192 PolarHBondContact O-N 2.85Å
193W70.8Confident76.8Confident62 Ų6257.4 Ų57.424%0.23529%0.291CS..EExtended strand (participates in β ladder)trans-100.8138.2-177.8-62.690.5000110.9M157 D158 V160 Q187 G189 E190M157-W193 HydrophobicContact CB-CD2 4.45Å; M157-W193 HydrophobicContact CB-CE3 3.94Å; M157-W193 HydrophobicContact CB-CZ3 4.05Å; M157-W193 HydrophobicContact CE-CD2 4.14Å; M157-W193 HydrophobicContact CE-CE3 4.47Å; M157-W193 HydrophobicContact CE-CH2 4.02Å; M157-W193 HydrophobicContact CE-CZ2 3.63Å; M157-W193 HydrophobicContact CE-CZ3 4.42Å; D158-W193 VanDerWaalsContact O-CZ3 3.25Å; D158-W193 WeakPolarHBondContact O-CZ3 3.34Å; V160-W193 HydrophobicContact CG2-CZ3 4.47Å; Q187-W193 HydrophobicContact CG-CB 4.02Å; Q187-W193 PolarHBondContact NE2-O 3.11Å; G189-W193 VanDerWaalsContact C-CD1 3.45Å; E190-W193 PolarHBondContact O-N 2.87Å
194R74.9Confident76.1Confident63 Ų6359.6 Ų59.624%0.23832%0.32CS..EExtended strand (participates in β ladder)trans-87.8137.6173.4179.6-175.7-69.7162-0.5109.8G128 K156 M157 D158 S159G128-R194 PolarHBondContact O-NH2 2.86Å; K156-R194 HydrophobicContact CB-CB 4.08Å; M157-R194 PolarHBondContact O-N 2.81Å; D158-R194 IonicContact OD1-NH1 3.76Å; S159-R194 VanDerWaalsContact CB-O 3.28Å; S159-R194 WeakPolarHBondContact CB-O 3.34Å; S159-R194 PolarHBondContact OG-O 3.19Å
195E79.9Confident75.4Confident72 Ų7261.2 Ų61.234%0.33633%0.332SS..PPolyproline II helixtrans-70.3131.6169.7-172.4176.5-125.400110.7C174 C185 H186C174-E195 HydrophobicContact CB-CG 3.71Å; C174-E195 WeakPolarHBondContact CB-OE2 3.47Å; C185-E195 HydrophobicContact CB-CG 4.08Å; H186-E195 WeakPolarHBondContact O-CA 3.47Å
196V80.6Confident74.8Confident2 Ų263 Ų631%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-131160.2-177.2-57.80000110.6P166 Y168 H186P166-V196 HydrophobicContact CB-CB 3.8Å; P166-V196 HydrophobicContact CB-CG1 4.1Å; P166-V196 HydrophobicContact CB-CG2 3.59Å; Y168-V196 HydrophobicContact CE1-CG1 4.35Å; H186-V196 PolarHBondContact N-O 3.39Å; H186-V196 PolarHBondContact O-N 2.68Å
197C83.2Confident74.3Confident0 Ų064.3 Ų64.30%035%0.345CS..EExtended strand (participates in β ladder)trans-80.7120.4169-76.10000110.3I167 C178 H183I167-C197 HydrophobicContact CB-CB 3.93Å; I167-C197 PolarHBondContact N-O 2.6Å; I167-C197 WeakPolarHBondContact O-CB 3.16Å; I167-C197 PolarHBondContact O-N 2.85Å; I167-C197 VanDerWaalsContact O-N 3.1Å; C178-C197 WeakPolarHBondContact CA-SG 3.05Å; C178-C197 HydrophobicContact CB-CB 4.37Å; C178-C197 WeakPolarHBondContact CB-SG 3.36Å; C178-C197 WeakPolarHBondContact SG-CA 3.48Å; C178-C197 WeakPolarHBondContact SG-CB 3.35Å; C178-C197 CovalentContact SG-SG 2.04Å; C178-C197 PolarHBondContact SG-SG 2.96Å; H183-C197 HydrophobicContact CB-CB 4.32Å
198C82.8Confident73.7Confident0 Ų064.2 Ų64.20%035%0.346CS..EExtended strand (participates in β ladder)trans-109.2142.8173.8-66.70000110.8C161 H183 F184 H186 K200C161-C198 WeakPolarHBondContact CA-SG 3.42Å; C161-C198 HydrophobicContact CB-CB 3.64Å; C161-C198 WeakPolarHBondContact CB-SG 3.24Å; C161-C198 WeakPolarHBondContact SG-CA 3.42Å; C161-C198 WeakPolarHBondContact SG-CB 3.03Å; C161-C198 CovalentContact SG-SG 2.04Å; C161-C198 PolarHBondContact SG-SG 3.18Å; H183-C198 CarbonylContact C-O 3.59Å; H183-C198 WeakPolarHBondContact CA-O 3.01Å; H183-C198 WeakPolarHBondContact CB-O 3.24Å; H183-C198 VanDerWaalsContact CD2-C 3.46Å; F184-C198 HydrophobicContact CD1-CB 4.12Å; F184-C198 VanDerWaalsContact CD1-O 3.31Å; F184-C198 WeakPolarHBondContact CD1-O 3.38Å; F184-C198 HydrophobicContact CE1-CB 3.57Å; F184-C198 HydrophobicContact CE2-CB 4.43Å; F184-C198 HydrophobicContact CZ-CB 3.75Å; F184-C198 PolarHBondContact N-O 2.73Å; F184-C198 PolarHBondContact O-N 3.17Å; H186-C198 HydrophobicContact CB-CB 4.2Å; H186-C198 VanDerWaalsContact CB-SG 3.51Å; C198-K200 PolarHBondContact O-N 3.2Å
199E82.6Confident73.7Confident95 Ų9567.3 Ų67.344%0.44436%0.355SS..EExtended strand (participates in β ladder)trans-64.7134.9175.7-171.5171.5-172.300109.6H183H183-E199 PolarHBondContact CD2-N 3.3Å
200K77.9Confident73.6Confident67 Ų6769.9 Ų69.929%0.29138%0.382SS..  trans-68.4127.9172.8-69.2-179.2-174.3173.30108.3Q180 T182 H183 F184 C198 C202Q180-K200 WeakPolarHBondContact O-CE 3.05Å; Q180-K200 PolarHBondContact O-NZ 2.68Å; T182-K200 WeakPolarHBondContact O-CB 3.39Å; T182-K200 PolarHBondContact O-N 3.4Å; H183-K200 WeakPolarHBondContact O-CE 3.33Å; F184-K200 HydrophobicContact CB-CG 4.4Å; F184-K200 HydrophobicContact CD1-CG 3.95Å; C198-K200 PolarHBondContact O-N 3.2Å; K200-C202 PolarHBondContact O-N 2.75Å
201P74.9Confident73.4Confident52 Ų5265.4 Ų65.434%0.33838%0.378SS..SBendtrans-64.3-24.1178.925.4-34.4000112.9V163 L208V163-P201 HydrophobicContact CB-CB 4.33Å; V163-P201 HydrophobicContact CG2-CB 3.74Å; P201-L208 HydrophobicContact CB-CB 3.89Å; P201-L208 HydrophobicContact CB-CD1 4.4Å; P201-L208 HydrophobicContact CB-CD2 3.81Å; P201-L208 HydrophobicContact CB-CG 4.25Å; P201-L208 HydrophobicContact CG-CB 3.82Å; P201-L208 HydrophobicContact CG-CD2 4.36Å
202C75.7Confident73.6Confident8 Ų865 Ų655%0.05438%0.38CS..SBendtrans-134.2153.5-174.8-60.40000110.9K200 Q206 C213K200-C202 PolarHBondContact O-N 2.75Å; C202-Q206 HydrophobicContact CB-CB 3.74Å; C202-Q206 WeakPolarHBondContact CB-O 3.43Å; C202-C213 WeakPolarHBondContact CA-SG 2.95Å; C202-C213 HydrophobicContact CB-CB 3.71Å; C202-C213 WeakPolarHBondContact CB-SG 3.31Å; C202-C213 WeakPolarHBondContact SG-CA 3.17Å; C202-C213 WeakPolarHBondContact SG-CB 3.32Å; C202-C213 CovalentContact SG-SG 2.04Å; C202-C213 PolarHBondContact SG-SG 3.39Å
203V74.3Confident73.8Confident119 Ų11964.6 Ų64.672%0.72138%0.382SS*.SBendtrans-87.4140.7178.9-67.10000111.1
204G67.7Low74.1Confident70 Ų7063.8 Ų63.872%0.72238%0.384SS*.THydrogen-bonded Turntrans73.8-134.1174.400000114.5Q206G204-Q206 VanDerWaalsContact C-N 3.29Å
205D66.8Low73.7Confident93 Ų9368.6 Ų68.650%0.49740%0.402SS..THydrogen-bonded Turntrans-88.917.5-179.860.3-35.2000113.3R215 D216D205-R215 IonicContact OD2-CZ 3.64Å; D205-R215 IonicContact OD2-NE 3.47Å; D205-R215 PolarHBondContact OD2-NE 2.87Å; D205-R215 IonicContact OD2-NH2 2.89Å; D205-R215 PolarHBondContact OD2-NH2 3.22Å; D205-D216 PolarHBondContact O-N 2.98Å
206Q71.5Confident72.7Confident70 Ų7068.4 Ų68.433%0.32740%0.403SS..EExtended strand (participates in β ladder)trans-92.4142.3-178-64.8179.94.100111.6C202 G204 C213 V214 R215C202-Q206 HydrophobicContact CB-CB 3.74Å; C202-Q206 WeakPolarHBondContact CB-O 3.43Å; G204-Q206 VanDerWaalsContact C-N 3.29Å; Q206-C213 HydrophobicContact CB-CB 4.27Å; Q206-C213 VanDerWaalsContact OE1-CB 3.27Å; Q206-V214 CarbonylContact C-O 3.46Å; Q206-V214 WeakPolarHBondContact CA-O 3.45Å; Q206-V214 WeakPolarHBondContact CB-O 3.05Å; Q206-R215 HydrophobicContact CG-CG 4.25Å
207I70.5Confident71.3Confident74 Ų7478.9 Ų78.938%0.37944%0.443SS..EExtended strand (participates in β ladder)trans-109.4147.4174.661173.7000109.7E209 V214 D216I207-E209 PolarHBondContact O-N 3.11Å; I207-V214 HydrophobicContact CD1-CG2 4.36Å; I207-V214 HydrophobicContact CG1-CG2 3.72Å; I207-V214 PolarHBondContact N-O 3.3Å; I207-V214 PolarHBondContact O-N 2.84Å; I207-D216 HydrophobicContact CG2-CB 4.24Å
208L66.9Low69.5Low84 Ų8488.8 Ų88.844%0.4448%0.481SS..EExtended strand (participates in β ladder)trans-81.7109.1175.4-173.671.3000109.3V163 P201V163-L208 HydrophobicContact CG2-CD2 4.44Å; P201-L208 HydrophobicContact CB-CB 3.89Å; P201-L208 HydrophobicContact CB-CD1 4.4Å; P201-L208 HydrophobicContact CB-CD2 3.81Å; P201-L208 HydrophobicContact CB-CG 4.25Å; P201-L208 HydrophobicContact CG-CB 3.82Å; P201-L208 HydrophobicContact CG-CD2 4.36Å
209E72.5Confident67.5Low112 Ų11295.7 Ų95.752%0.52352%0.519SS..EExtended strand (participates in β ladder)trans-124121.3177.9-166.2177.7-161.500109.9I207 G211 N212 V214I207-E209 PolarHBondContact O-N 3.11Å; E209-G211 PolarHBondContact O-N 3.33Å; E209-G211 VanDerWaalsContact O-N 3.12Å; E209-N212 PolarHBondContact N-O 2.87Å; E209-N212 PolarHBondContact O-N 2.98Å; E209-N212 VanDerWaalsContact O-O 3.12Å; E209-V214 HydrophobicContact CB-CG2 3.58Å
210G64.3Low65.3Low82 Ų8294.8 Ų94.885%0.84553%0.534SS*.THydrogen-bonded Turntrans58.227.9178.700000114.8
211G68.2Low63Low61 Ų61102.7 Ų102.763%0.62956%0.562SS**THydrogen-bonded Turntrans85.6-1.9-177.700000115.3E209E209-G211 PolarHBondContact O-N 3.33Å; E209-G211 VanDerWaalsContact O-N 3.12Å
212N71.8Confident61.3Low114 Ų114103.7 Ų103.761%0.6157%0.571SS**EExtended strand (participates in β ladder)trans-112.6145.7176.1-64.6-60.2000110.9E209 V214E209-N212 PolarHBondContact N-O 2.87Å; E209-N212 PolarHBondContact O-N 2.98Å; E209-N212 VanDerWaalsContact O-O 3.12Å; N212-V214 PolarHBondContact O-N 3.21Å
213C71.8Confident59.3Low56 Ų56109 Ų10938%0.37861%0.605SS.*EExtended strand (participates in β ladder)trans-78.8111.2170.2-66.70000109.6C202 Q206C202-C213 WeakPolarHBondContact CA-SG 2.95Å; C202-C213 HydrophobicContact CB-CB 3.71Å; C202-C213 WeakPolarHBondContact CB-SG 3.31Å; C202-C213 WeakPolarHBondContact SG-CA 3.17Å; C202-C213 WeakPolarHBondContact SG-CB 3.32Å; C202-C213 CovalentContact SG-SG 2.04Å; C202-C213 PolarHBondContact SG-SG 3.39Å; Q206-C213 HydrophobicContact CB-CB 4.27Å; Q206-C213 VanDerWaalsContact OE1-CB 3.27Å
214V76.3Confident57Low46 Ų46111.4 Ų111.428%0.27961%0.608SS.*EExtended strand (participates in β ladder)trans-110.8148.2176.5-60.70000108.9Q206 I207 E209 N212 D216Q206-V214 CarbonylContact C-O 3.46Å; Q206-V214 WeakPolarHBondContact CA-O 3.45Å; Q206-V214 WeakPolarHBondContact CB-O 3.05Å; I207-V214 HydrophobicContact CD1-CG2 4.36Å; I207-V214 HydrophobicContact CG1-CG2 3.72Å; I207-V214 PolarHBondContact N-O 3.3Å; I207-V214 PolarHBondContact O-N 2.84Å; E209-V214 HydrophobicContact CB-CG2 3.58Å; N212-V214 PolarHBondContact O-N 3.21Å; V214-D216 PolarHBondContact O-N 2.81Å
215R68.3Low55.1Low164 Ų164112.7 Ų112.762%0.61961%0.605SS**EExtended strand (participates in β ladder)trans-64.1137.6171.1-61.1-169.375.51662.9108.6D205 Q206 R217D205-R215 IonicContact OD2-CZ 3.64Å; D205-R215 IonicContact OD2-NE 3.47Å; D205-R215 PolarHBondContact OD2-NE 2.87Å; D205-R215 IonicContact OD2-NH2 2.89Å; D205-R215 PolarHBondContact OD2-NH2 3.22Å; Q206-R215 HydrophobicContact CG-CG 4.25Å; R215-R217 PolarHBondContact O-N 3.43Å
216D58.9Low53.5Low68 Ų68114 Ų11436%0.36462%0.619SS.*  trans-53.9116.1173.1-166.9-5.9000108.9D205 I207 V214 Y218D205-D216 PolarHBondContact O-N 2.98Å; I207-D216 HydrophobicContact CG2-CB 4.24Å; V214-D216 PolarHBondContact O-N 2.81Å; D216-Y218 PolarHBondContact O-N 2.85Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.24Å; D216-Y218 WeakPolarHBondContact OD1-CD2 2.98Å; D216-Y218 PolarHBondContact OD1-N 2.96Å
217R50.7Low51.4Low221 Ų221118.7 Ų118.783%0.83464%0.64SS**SBendtrans-77.9-4.2177.8-77.1-175.2-179.9156.20.9111.8R215 D219R215-R217 PolarHBondContact O-N 3.43Å; R217-D219 PolarHBondContact O-N 2.86Å
218Y44.3Very low49.9Very low208 Ų208121.9 Ų121.982%0.81667%0.666SS**  trans-74.563162.6-72.9-87.2000109.9D216 G220D216-Y218 PolarHBondContact O-N 2.85Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.24Å; D216-Y218 WeakPolarHBondContact OD1-CD2 2.98Å; D216-Y218 PolarHBondContact OD1-N 2.96Å; Y218-G220 PolarHBondContact O-N 3.43Å
219D41.9Very low48.2Very low146 Ų146121.2 Ų121.278%0.78168%0.68SS**  trans-51.9112.8149.5-84.8-35.9000106R217 R221R217-D219 PolarHBondContact O-N 2.86Å; D219-R221 PolarHBondContact O-N 3.23Å
220G37Very low45.9Very low75 Ų75119.5 Ų119.577%0.77369%0.692SS**  trans-61.675.5-179.900000113.1Y218 S222Y218-G220 PolarHBondContact O-N 3.43Å; G220-S222 PolarHBondContact O-N 2.04Å
221R29.8Very low44.1Very low233 Ų233125 Ų12588%0.87969%0.692SS**  -61.280.6128.2-78.9-169.3-173.6-157.32.8105.7D219D219-R221 PolarHBondContact O-N 3.23Å
222S37.4Very low42.4Very low73 Ų73130.6 Ų130.651%0.5171%0.707SS.*  trans-37.7124.4155.9178.70000106.4G220 E224G220-S222 PolarHBondContact O-N 2.04Å; S222-E224 PolarHBondContact O-N 2.94Å
223P33.7Very low40.2Very low119 Ų119128.6 Ų128.677%0.77371%0.713SS**SBendtrans-51.7117.6173.820.9-29.7000105.4C225P223-C225 PolarHBondContact O-N 3.1Å
224E27.7Very low38.2Very low170 Ų170136.2 Ų136.279%0.79474%0.74SS**  trans-40.999.9-163.5-66157.3143.200110S222 P226S222-E224 PolarHBondContact O-N 2.94Å; E224-P226 WeakPolarHBondContact O-CD 3.35Å; E224-P226 VanDerWaalsContact O-N 3.07Å
225C27.8Very low36.3Very low97 Ų97145.6 Ų145.666%0.65577%0.77SS**  trans-59.3116.1163.7-80.70000104.7P223 H227P223-C225 PolarHBondContact O-N 3.1Å; C225-H227 PolarHBondContact O-N 3.3Å
226P31.9Very low34.5Very low122 Ų122143.2 Ų143.279%0.79278%0.778SS**  trans-54.6136.9-178.9-23.233.3000108.4E224E224-P226 WeakPolarHBondContact O-CD 3.35Å; E224-P226 VanDerWaalsContact O-N 3.07Å
227H27.5Very low33Very low167 Ų167143.4 Ų143.477%0.77380%0.797SS**  trans-42.3152.6-173.3-72.930.2000113.6C225 G229C225-H227 PolarHBondContact O-N 3.3Å; H227-G229 VanDerWaalsContact C-N 3.35Å; H227-G229 PolarHBondContact O-N 2.68Å
228P38.9Very low32.1Very low142 Ų142144 Ų14492%0.92280%0.799SS**THydrogen-bonded Turntrans-63.590.1-167.826.3-34.9000111.7
229G30.7Very low31.3Very low70 Ų70140.2 Ų140.272%0.72280%0.802SS**THydrogen-bonded Turntrans-165.8-11.5176.400000114H227 K231H227-G229 VanDerWaalsContact C-N 3.35Å; H227-G229 PolarHBondContact O-N 2.68Å; G229-K231 PolarHBondContact O-N 2.93Å
230G25.5Very low30.7Very low75 Ų75139.2 Ų139.277%0.77380%0.796SS**  trans-84.5101.2177.600000112.9L232G230-L232 PolarHBondContact O-N 3.25Å
231K26.8Very low30.6Very low198 Ų198140.8 Ų140.886%0.86180%0.795SS**  trans-65.1119.1160.5-71.4177178.4174.80109.2G229G229-K231 PolarHBondContact O-N 2.93Å
232L31.1Very low30.7Very low179 Ų179137.6 Ų137.694%0.93779%0.791SS**  trans148.6129.9150.4-102.792.5000108G230G230-L232 PolarHBondContact O-N 3.25Å
233G26.2Very low30.7Very low72 Ų72142.3 Ų142.374%0.74281%0.809SS**  cis-166.8161.13.900000109.2R235G233-R235 PolarHBondContact O-N 2.86Å; G233-R235 VanDerWaalsContact O-N 3.1Å
234K30.5Very low30.7Very low215 Ų215146 Ų14694%0.93581%0.813SS**  trans-48.8104.5-175.7-66.2169.7173.7176.80114.2
235R35Very low30.8Very low244 Ų244146.5 Ų146.592%0.92182%0.816SS**  trans-144.495.3138.6-80.2-165.9179.8-164.7-0.6108.4G233 G237G233-R235 PolarHBondContact O-N 2.86Å; G233-R235 VanDerWaalsContact O-N 3.1Å; R235-G237 PolarHBondContact O-N 3.37Å
236S31.5Very low31.1Very low113 Ų113146.6 Ų146.679%0.7982%0.823SS**  trans-64.289.6-178.8170.20000111.3R238S236-R238 PolarHBondContact O-N 3.35Å
237G28.1Very low31.2Very low73 Ų73147.9 Ų147.975%0.75382%0.822SS**  trans-81.696.6153.300000108.1R235 C239R235-G237 PolarHBondContact O-N 3.37Å; G237-C239 PolarHBondContact O-N 2.02Å
238R30Very low31.7Very low232 Ų232145.1 Ų145.188%0.87582%0.821SS**  trans-73.4103167-110.6-178.2-177.1173.90.3106.5S236 D240S236-R238 PolarHBondContact O-N 3.35Å; R238-D240 PolarHBondContact O-N 3.18Å; R238-D240 VanDerWaalsContact O-N 3.17Å
239C28.3Very low32.3Very low130 Ų130141 Ų14188%0.87880%0.796SS**  trans-68.6104.9159.8-82.70000107G237 S241G237-C239 PolarHBondContact O-N 2.02Å; C239-S241 PolarHBondContact O-N 3.46Å
240D29.3Very low33.2Very low124 Ų124139.3 Ų139.366%0.66377%0.773SS**  trans-78107.9173.3-156.8-34000108.8R238 Q242R238-D240 PolarHBondContact O-N 3.18Å; R238-D240 VanDerWaalsContact O-N 3.17Å; D240-Q242 PolarHBondContact O-N 2.04Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.32Å; D240-Q242 PolarHBondContact OD1-N 2.92Å
241S35.7Very low34.7Very low108 Ų108143.5 Ų143.576%0.75577%0.77SS**THydrogen-bonded Turntrans-81.115.7-178.4530000113.5C239C239-S241 PolarHBondContact O-N 3.46Å
242Q31.7Very low36.2Very low167 Ų167140 Ų14078%0.7877%0.767SS**THydrogen-bonded Turntrans-92-0.4-177.8-68-161.7-6.100116.1D240 K244D240-Q242 PolarHBondContact O-N 2.04Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.32Å; D240-Q242 PolarHBondContact OD1-N 2.92Å; Q242-K244 PolarHBondContact O-N 2.9Å
243L36.8Very low37.6Very low172 Ų172132.7 Ų132.790%0.90174%0.735SS**THydrogen-bonded Turntrans-86.951.3174.2-142.281.9000112.5
244K34.7Very low39.3Very low195 Ų195132.8 Ų132.885%0.84872%0.717SS**THydrogen-bonded Turntrans-112.38.4176-103.5-168.9-179.9-175.40114.4Q242 A246Q242-K244 PolarHBondContact O-N 2.9Å; K244-A246 PolarHBondContact O-N 3.23Å
245E29.6Very low40.8Very low182 Ų182123.1 Ų123.185%0.8568%0.676SS**  trans-96.699.4172.3-71.9-172.3168.100110.6I247E245-I247 PolarHBondContact O-N 3.43Å; E245-I247 VanDerWaalsContact O-N 3.14Å
246A33.1Very low41.7Very low98 Ų98116.9 Ų116.981%0.8166%0.655SS**  trans-51.7108.6166.900000110.7K244 S248K244-A246 PolarHBondContact O-N 3.23Å; A246-S248 PolarHBondContact O-N 3.29Å
247I35Very low42.7Very low149 Ų149113.4 Ų113.476%0.76463%0.627SS**  trans-76.6102.8166.1-59.6174.7000106.1E245 S249E245-I247 PolarHBondContact O-N 3.43Å; E245-I247 VanDerWaalsContact O-N 3.14Å; I247-S249 PolarHBondContact O-N 2.7Å; I247-S249 PolarHBondContact O-OG 3.29Å; I247-S249 VanDerWaalsContact O-OG 3.1Å
248S36.5Very low43.9Very low110 Ų110119 Ų11977%0.76963%0.633SS**  trans-60.1100.2170.552.40000109.5A246 C250A246-S248 PolarHBondContact O-N 3.29Å; S248-C250 PolarHBondContact O-N 3.03Å
249S52.5Low44.7Very low55 Ų55110.4 Ų110.439%0.38562%0.618SS.*  trans-70.2-20.1-156.9-47.60000116.4I247 C261I247-S249 PolarHBondContact O-N 2.7Å; I247-S249 PolarHBondContact O-OG 3.29Å; I247-S249 VanDerWaalsContact O-OG 3.1Å; S249-C261 PolarHBondContact O-SG 3.5Å
250C48.5Very low45.8Very low35 Ų35111.6 Ų111.624%0.23661%0.608CS.*SBendtrans-155.4157.6169.7-70.60000111.5S248 M254 C261S248-C250 PolarHBondContact O-N 3.03Å; C250-M254 HydrophobicContact CB-CB 3.87Å; C250-C261 WeakPolarHBondContact CA-SG 3.21Å; C250-C261 HydrophobicContact CB-CB 3.94Å; C250-C261 WeakPolarHBondContact CB-SG 3.21Å; C250-C261 WeakPolarHBondContact SG-CA 3.38Å; C250-C261 WeakPolarHBondContact SG-CB 3.38Å; C250-C261 CovalentContact SG-SG 2.04Å; C250-C261 PolarHBondContact SG-SG 2.78Å
251K58.3Low47.4Very low163 Ų163108.3 Ų108.371%0.70959%0.594SS**  trans-58.6149.4170.9-68.6-178.5-179.1178.20110.3G253 M254K251-G253 PolarHBondContact O-N 3.45Å; K251-M254 PolarHBondContact O-N 2.78Å
252P59Low49Very low123 Ų123105.4 Ų105.480%0.79957%0.571SS**THydrogen-bonded Turntrans-50.1130171.5-2533.5000110.8
253G60.3Low51.1Low26 Ų26103.8 Ų103.827%0.26856%0.564SS.*THydrogen-bonded Turntrans905.6-175.200000116K251 F279K251-G253 PolarHBondContact O-N 3.45Å; G253-F279 WeakPolarHBondContact O-CZ 3.27Å
254M61.7Low52.8Low75 Ų7595.8 Ų95.837%0.36952%0.522SS..  trans-117.8144.2172-70.4-175.6165.600111.5C250 K251 C261C250-M254 HydrophobicContact CB-CB 3.87Å; K251-M254 PolarHBondContact O-N 2.78Å; M254-C261 HydrophobicContact CB-CB 4.24Å; M254-C261 HydrophobicContact SD-CB 3.98Å
255L60.6Low54.7Low12 Ų1292.6 Ų92.66%0.06351%0.514CS..EExtended strand (participates in β ladder)trans-99.2136.6172.1-73.9176.1000110.2I257 C261 V262 P264 F279 I299L255-I257 HydrophobicContact CB-CD1 3.89Å; L255-I257 HydrophobicContact CB-CG1 3.93Å; L255-I257 HydrophobicContact CD1-CD1 4.12Å; L255-I257 PolarHBondContact O-N 3.34Å; L255-C261 WeakPolarHBondContact O-CA 3.43Å; L255-V262 HydrophobicContact CB-CG2 4.49Å; L255-V262 PolarHBondContact N-O 3.32Å; L255-V262 WeakPolarHBondContact O-CG2 3.03Å; L255-V262 PolarHBondContact O-N 3.36Å; L255-P264 HydrophobicContact CD1-CB 3.79Å; L255-P264 HydrophobicContact CD1-CG 3.67Å; L255-P264 HydrophobicContact CG-CG 3.98Å; L255-F279 HydrophobicContact CD1-CD2 4.25Å; L255-F279 HydrophobicContact CD1-CE2 4.45Å; L255-F279 HydrophobicContact CD2-CD2 3.42Å; L255-F279 VanDerWaalsContact CD2-CD2 3.42Å; L255-F279 HydrophobicContact CD2-CE2 3.88Å; L255-F279 HydrophobicContact CD2-CG 4.23Å; L255-F279 HydrophobicContact CG-CD2 3.62Å; L255-F279 HydrophobicContact CG-CE2 3.63Å; L255-F279 HydrophobicContact CG-CG 4.36Å; L255-F279 HydrophobicContact CG-CZ 4.36Å; L255-I299 HydrophobicContact CD1-CD1 4.45Å; L255-I299 HydrophobicContact CD1-CG2 3.83Å
256F54Low56.9Low112 Ų11284.8 Ų84.849%0.49148%0.479SS..EExtended strand (participates in β ladder)trans-84.4110.1170.2-169.1-101.9000109.6G259 K260F256-G259 VanDerWaalsContact CE2-C 3.49Å; F256-K260 WeakPolarHBondContact CA-O 3.4Å
257I53.9Low59Low40 Ų4084.2 Ų84.221%0.20547%0.469CS..EExtended strand (participates in β ladder)trans-136130.9-177.1-54.5-176.2000108.5L255 G259 K260 V262 Y297L255-I257 HydrophobicContact CB-CD1 3.89Å; L255-I257 HydrophobicContact CB-CG1 3.93Å; L255-I257 HydrophobicContact CD1-CD1 4.12Å; L255-I257 PolarHBondContact O-N 3.34Å; I257-G259 PolarHBondContact O-N 2.95Å; I257-K260 PolarHBondContact N-O 2.86Å; I257-K260 PolarHBondContact O-N 3.16Å; I257-K260 VanDerWaalsContact O-O 3.09Å; I257-V262 HydrophobicContact CB-CG2 3.97Å; I257-V262 HydrophobicContact CD1-CG2 3.9Å; I257-V262 HydrophobicContact CG1-CG2 3.98Å; I257-Y297 HydrophobicContact CD1-CD1 3.33Å; I257-Y297 HydrophobicContact CD1-CE1 3.94Å; I257-Y297 HydrophobicContact CD1-CG 4.3Å
258H52Low60.9Low190 Ų19086 Ų8688%0.8847%0.466SS*.THydrogen-bonded Turntrans51.537.8-179.8-56.8173.9000114K260H258-K260 PolarHBondContact O-N 2.85Å
259G47.4Very low63Low53 Ų5382.7 Ų82.755%0.54645%0.449SS..THydrogen-bonded Turntrans82.25.817900000115.4F256 I257F256-G259 VanDerWaalsContact CE2-C 3.49Å; I257-G259 PolarHBondContact O-N 2.95Å
260K52.1Low64.5Low154 Ų15484.2 Ų84.267%0.6746%0.457SS*.EExtended strand (participates in β ladder)trans-130145.7-179.8-65.5-177.2-179.1179.10111.6F256 I257 H258 V262F256-K260 WeakPolarHBondContact CA-O 3.4Å; I257-K260 PolarHBondContact N-O 2.86Å; I257-K260 PolarHBondContact O-N 3.16Å; I257-K260 VanDerWaalsContact O-O 3.09Å; H258-K260 PolarHBondContact O-N 2.85Å; K260-V262 HydrophobicContact CB-CG1 4.4Å; K260-V262 PolarHBondContact O-N 2.82Å
261C61.4Low66.2Low55 Ų5583.7 Ų83.737%0.37245%0.452SS..EExtended strand (participates in β ladder)trans-75.8116.4165-64.50000109.7S249 C250 M254 L255S249-C261 PolarHBondContact O-SG 3.5Å; C250-C261 WeakPolarHBondContact CA-SG 3.21Å; C250-C261 HydrophobicContact CB-CB 3.94Å; C250-C261 WeakPolarHBondContact CB-SG 3.21Å; C250-C261 WeakPolarHBondContact SG-CA 3.38Å; C250-C261 WeakPolarHBondContact SG-CB 3.38Å; C250-C261 CovalentContact SG-SG 2.04Å; C250-C261 PolarHBondContact SG-SG 2.78Å; M254-C261 HydrophobicContact CB-CB 4.24Å; M254-C261 HydrophobicContact SD-CB 3.98Å; L255-C261 WeakPolarHBondContact O-CA 3.43Å
262V70.4Confident67.1Low47 Ų4777.5 Ų77.529%0.28543%0.427SS..EExtended strand (participates in β ladder)trans-118.9139.5176.9-63.10000109.4L255 I257 K260 P264L255-V262 HydrophobicContact CB-CG2 4.49Å; L255-V262 PolarHBondContact N-O 3.32Å; L255-V262 WeakPolarHBondContact O-CG2 3.03Å; L255-V262 PolarHBondContact O-N 3.36Å; I257-V262 HydrophobicContact CB-CG2 3.97Å; I257-V262 HydrophobicContact CD1-CG2 3.9Å; I257-V262 HydrophobicContact CG1-CG2 3.98Å; K260-V262 HydrophobicContact CB-CG1 4.4Å; K260-V262 PolarHBondContact O-N 2.82Å; V262-P264 WeakPolarHBondContact O-CD 3.32Å
263E75.1Confident67.9Low134 Ų13476.4 Ų76.463%0.62641%0.41SS*.  trans-80.2113.4167.2-175.2174.4-173.500107.7L265E263-L265 PolarHBondContact O-N 3.15Å
264P72.1Confident68.1Low3 Ų378.4 Ų78.42%0.01942%0.417CS..  trans-73.8127.9-176.230.6-34.9000110.9L255 V262 P271 F279 Y297 I299L255-P264 HydrophobicContact CD1-CB 3.79Å; L255-P264 HydrophobicContact CD1-CG 3.67Å; L255-P264 HydrophobicContact CG-CG 3.98Å; V262-P264 WeakPolarHBondContact O-CD 3.32Å; P264-P271 VanDerWaalsContact O-CG 3.3Å; P264-P271 WeakPolarHBondContact O-CG 3.35Å; P264-F279 HydrophobicContact CG-CD1 4.06Å; P264-F279 HydrophobicContact CG-CE1 3.33Å; P264-F279 HydrophobicContact CG-CE2 4.01Å; P264-F279 HydrophobicContact CG-CZ 3.29Å; P264-Y297 HydrophobicContact CB-CD1 4.41Å; P264-Y297 HydrophobicContact CB-CD2 3.69Å; P264-Y297 HydrophobicContact CB-CE2 4.02Å; P264-Y297 HydrophobicContact CB-CG 3.9Å; P264-I299 HydrophobicContact CB-CD1 3.56Å; P264-I299 HydrophobicContact CG-CD1 3.8Å
265L74.5Confident68.2Low128 Ų12885.4 Ų85.467%0.6745%0.445SS*.  trans-105.5127.8174.4-65.1170.8000109.7E263 Y297E263-L265 PolarHBondContact O-N 3.15Å; L265-Y297 WeakPolarHBondContact O-CE2 3.42Å
266C77.1Confident68.1Low18 Ų1887.2 Ų87.212%0.12247%0.467CS..  trans-74.3143.2173.7-62.40000110.4R268 T270 P271 F292 C301C266-R268 VanDerWaalsContact CB-O 3.25Å; C266-R268 WeakPolarHBondContact CB-O 3.37Å; C266-R268 PolarHBondContact O-N 3.26Å; C266-T270 VanDerWaalsContact SG-C 3.52Å; C266-P271 VanDerWaalsContact SG-CA 3.6Å; C266-F292 HydrophobicContact CB-CZ 4.37Å; C266-C301 HydrophobicContact CB-CB 3.53Å; C266-C301 WeakPolarHBondContact CB-SG 3.4Å; C266-C301 WeakPolarHBondContact SG-CB 3.39Å; C266-C301 CovalentContact SG-SG 2.01Å; C266-C301 PolarHBondContact SG-SG 2.79Å
267S76.1Confident68.4Low86 Ų8689.2 Ų89.260%0.60148%0.475SS*.SBendtrans-59-27.4172.847.90000113.3F292 E294S267-F292 VanDerWaalsContact OG-CE2 3.32Å; S267-F292 WeakPolarHBondContact OG-CE2 3.38Å; S267-E294 WeakPolarHBondContact CB-OE2 3.07Å; S267-E294 PolarHBondContact N-OE2 3Å; S267-E294 PolarHBondContact OG-OE2 2.86Å
268R75.4Confident68.8Low188 Ų18892.4 Ų92.471%0.70949%0.493SS*.SBendtrans-141.8137.5169.4-62.2-176.5-180167.2-0109.5C266 F292C266-R268 VanDerWaalsContact CB-O 3.25Å; C266-R268 WeakPolarHBondContact CB-O 3.37Å; C266-R268 PolarHBondContact O-N 3.26Å; R268-F292 HydrophobicContact CB-CE1 4.01Å; R268-F292 HydrophobicContact CB-CZ 4.07Å; R268-F292 WeakPolarHBondContact O-CE1 3.47Å; R268-F292 VanDerWaalsContact O-CZ 3.28Å; R268-F292 WeakPolarHBondContact O-CZ 3.28Å
269G81Confident69.7Low40 Ų4084.3 Ų84.341%0.41246%0.455SS..SBendtrans66.9-149.8177.700000115.3S302G269-S302 VanDerWaalsContact CA-O 3.31Å; G269-S302 WeakPolarHBondContact CA-O 3.37Å
270T84.3Confident71.1Confident87 Ų8783.8 Ų83.853%0.53444%0.442SS..  trans-122.2149.3-17256.40000113.2C266 S302C266-T270 VanDerWaalsContact SG-C 3.52Å; T270-S302 PolarHBondContact N-OG 3.28Å; T270-S302 PolarHBondContact O-N 2.94Å; T270-S302 PolarHBondContact O-OG 3.18Å; T270-S302 PolarHBondContact OG1-OG 3.16Å
271P83.2Confident72.3Confident23 Ų2384.2 Ų84.215%0.14944%0.439CS..BIsolated β-bridgetrans-61.1141.9174.9-20.530.9000111.8P264 C266 F273 F279 I299P264-P271 VanDerWaalsContact O-CG 3.3Å; P264-P271 WeakPolarHBondContact O-CG 3.35Å; C266-P271 VanDerWaalsContact SG-CA 3.6Å; P271-F273 HydrophobicContact CB-CE2 4.25Å; P271-F273 HydrophobicContact CB-CZ 4.28Å; P271-F273 WeakPolarHBondContact O-CD2 3.42Å; P271-F273 WeakPolarHBondContact O-CE2 3.36Å; P271-F279 HydrophobicContact CB-CD1 3.83Å; P271-F279 HydrophobicContact CB-CE1 3.76Å; P271-F279 HydrophobicContact CG-CE1 4.28Å; P271-I299 HydrophobicContact CB-CD1 4.08Å; P271-I299 HydrophobicContact CG-CD1 4.35Å
272L77.8Confident72.8Confident33 Ų3382.5 Ų82.517%0.17343%0.427CS..  trans-88.1139.7174.1-66.1172.5000111F279 V280 T291 C300L272-F279 WeakPolarHBondContact O-CA 3.42Å; L272-V280 HydrophobicContact CB-CB 4.12Å; L272-V280 HydrophobicContact CB-CG2 3.87Å; L272-V280 PolarHBondContact O-N 2.52Å; L272-T291 HydrophobicContact CD1-CG2 3.55Å; L272-C300 HydrophobicContact CD1-CB 3.98Å; L272-C300 PolarHBondContact N-O 2.93Å
273F76.5Confident73Confident101 Ų10189.6 Ų89.644%0.44346%0.457SS..BIsolated β-bridgetrans-118.1139.9177.8-59.1-89.2000110.1P271 N278 F279P271-F273 HydrophobicContact CB-CE2 4.25Å; P271-F273 HydrophobicContact CB-CZ 4.28Å; P271-F273 WeakPolarHBondContact O-CD2 3.42Å; P271-F273 WeakPolarHBondContact O-CE2 3.36Å; F273-N278 CarbonylContact C-O 3.57Å; F273-N278 WeakPolarHBondContact CA-O 3.43Å; F273-F279 HydrophobicContact CD1-CD1 4.08Å; F273-F279 HydrophobicContact CD1-CE1 4.14Å; F273-F279 AromaticContact CE1-CD1 3.6Å; F273-F279 HydrophobicContact CE1-CD1 3.6Å; F273-F279 AromaticContact CE1-CE1 3.2Å; F273-F279 HydrophobicContact CE1-CE1 3.2Å; F273-F279 HydrophobicContact CE1-CE2 4.26Å; F273-F279 HydrophobicContact CE1-CG 4.28Å; F273-F279 AromaticContact CE1-CZ 3.59Å; F273-F279 HydrophobicContact CE1-CZ 3.59Å; F273-F279 HydrophobicContact CZ-CD1 4.07Å; F273-F279 AromaticContact CZ-CE1 3.44Å; F273-F279 HydrophobicContact CZ-CE1 3.44Å; F273-F279 VanDerWaalsContact CZ-CE1 3.44Å; F273-F279 HydrophobicContact CZ-CZ 4.04Å
274T64.2Low72.9Confident67 Ų6785.1 Ų85.141%0.41145%0.446SS..  trans-68.9165.3163.961.80000110.1G276 F277 N278 V280T274-G276 PolarHBondContact O-N 2.85Å; T274-F277 PolarHBondContact O-N 3.35Å; T274-N278 PolarHBondContact N-O 3.34Å; T274-N278 WeakPolarHBondContact OG1-CB 3.26Å; T274-N278 PolarHBondContact OG1-N 3.11Å; T274-N278 PolarHBondContact OG1-O 2.87Å; T274-V280 HydrophobicContact CG2-CG2 3.96Å
275K63.1Low73.1Confident222 Ų22291.9 Ų91.997%0.96548%0.482SS*.THydrogen-bonded Turntrans-55.7-19175.4-66.9-175.8179.2179.80114
276G59.6Low73.5Confident50 Ų5087.1 Ų87.152%0.51546%0.459SS..THydrogen-bonded Turntrans-93.818.2176.400000115.1T274 N278T274-G276 PolarHBondContact O-N 2.85Å; G276-N278 PolarHBondContact O-N 3.39Å; G276-N278 VanDerWaalsContact O-N 3.14Å; G276-N278 PolarHBondContact O-ND2 2.65Å
277F59.5Low73.4Confident154 Ų15493.4 Ų93.468%0.67550%0.497SS*.SBendtrans60.916.3-176.9-63.7-85.6000115.3T274T274-F277 PolarHBondContact O-N 3.35Å
278N61.6Low73.4Confident107 Ų10794.9 Ų94.957%0.57250%0.495SS*.  trans-90.5140.3172.5-61.3-59.7000110.4F273 T274 G276F273-N278 CarbonylContact C-O 3.57Å; F273-N278 WeakPolarHBondContact CA-O 3.43Å; T274-N278 PolarHBondContact N-O 3.34Å; T274-N278 WeakPolarHBondContact OG1-CB 3.26Å; T274-N278 PolarHBondContact OG1-N 3.11Å; T274-N278 PolarHBondContact OG1-O 2.87Å; G276-N278 PolarHBondContact O-N 3.39Å; G276-N278 VanDerWaalsContact O-N 3.14Å; G276-N278 PolarHBondContact O-ND2 2.65Å
279F71.8Confident73.5Confident21 Ų2192.1 Ų92.19%0.09250%0.504CS..BIsolated β-bridgetrans-60.6136.7174.3-64-80.1000111.8G253 L255 P264 P271 L272 F273 R281 I299G253-F279 WeakPolarHBondContact O-CZ 3.27Å; L255-F279 HydrophobicContact CD1-CD2 4.25Å; L255-F279 HydrophobicContact CD1-CE2 4.45Å; L255-F279 HydrophobicContact CD2-CD2 3.42Å; L255-F279 VanDerWaalsContact CD2-CD2 3.42Å; L255-F279 HydrophobicContact CD2-CE2 3.88Å; L255-F279 HydrophobicContact CD2-CG 4.23Å; L255-F279 HydrophobicContact CG-CD2 3.62Å; L255-F279 HydrophobicContact CG-CE2 3.63Å; L255-F279 HydrophobicContact CG-CG 4.36Å; L255-F279 HydrophobicContact CG-CZ 4.36Å; P264-F279 HydrophobicContact CG-CD1 4.06Å; P264-F279 HydrophobicContact CG-CE1 3.33Å; P264-F279 HydrophobicContact CG-CE2 4.01Å; P264-F279 HydrophobicContact CG-CZ 3.29Å; P271-F279 HydrophobicContact CB-CD1 3.83Å; P271-F279 HydrophobicContact CB-CE1 3.76Å; P271-F279 HydrophobicContact CG-CE1 4.28Å; L272-F279 WeakPolarHBondContact O-CA 3.42Å; F273-F279 HydrophobicContact CD1-CD1 4.08Å; F273-F279 HydrophobicContact CD1-CE1 4.14Å; F273-F279 AromaticContact CE1-CD1 3.6Å; F273-F279 HydrophobicContact CE1-CD1 3.6Å; F273-F279 AromaticContact CE1-CE1 3.2Å; F273-F279 HydrophobicContact CE1-CE1 3.2Å; F273-F279 HydrophobicContact CE1-CE2 4.26Å; F273-F279 HydrophobicContact CE1-CG 4.28Å; F273-F279 AromaticContact CE1-CZ 3.59Å; F273-F279 HydrophobicContact CE1-CZ 3.59Å; F273-F279 HydrophobicContact CZ-CD1 4.07Å; F273-F279 AromaticContact CZ-CE1 3.44Å; F273-F279 HydrophobicContact CZ-CE1 3.44Å; F273-F279 VanDerWaalsContact CZ-CE1 3.44Å; F273-F279 HydrophobicContact CZ-CZ 4.04Å; F279-R281 PolarHBondContact O-N 2.79Å; F279-I299 HydrophobicContact CB-CB 4.49Å; F279-I299 HydrophobicContact CB-CG2 3.81Å; F279-I299 HydrophobicContact CD1-CD1 4.26Å; F279-I299 HydrophobicContact CG-CG2 4.32Å
280V76.6Confident73.4Confident42 Ų4292.5 Ų92.526%0.25551%0.508SS..  trans-71.1115.7171.4-179.20000108.2L272 T274 I299 C300L272-V280 HydrophobicContact CB-CB 4.12Å; L272-V280 HydrophobicContact CB-CG2 3.87Å; L272-V280 PolarHBondContact O-N 2.52Å; T274-V280 HydrophobicContact CG2-CG2 3.96Å; V280-I299 CarbonylContact O-C 3.51Å; V280-I299 VanDerWaalsContact O-CA 3.28Å; V280-I299 WeakPolarHBondContact O-CA 3.47Å; V280-C300 HydrophobicContact CB-CB 4.12Å; V280-C300 HydrophobicContact CG1-CB 3.96Å; V280-C300 PolarHBondContact O-N 2.86Å
281R76.6Confident73.6Confident163 Ų16389.7 Ų89.762%0.61549%0.491SS*.BIsolated β-bridgetrans-84.6150.1-178-66.4-70.5-168.9151.68.9111.9F279 Y297 G298F279-R281 PolarHBondContact O-N 2.79Å; R281-Y297 PolarHBondContact NH1-O 2.92Å; R281-G298 VanDerWaalsContact CA-O 3.3Å; R281-G298 WeakPolarHBondContact CA-O 3.32Å; R281-G298 WeakPolarHBondContact CD-O 3.48Å
282C73.2Confident73.7Confident18 Ų1891 Ų9112%0.12249%0.494CS..  trans-140.4148.4175.759.30000112.6N285 C293 G298 I299 C300C282-N285 WeakPolarHBondContact CB-O 2.96Å; C282-C293 HydrophobicContact CB-CB 3.73Å; C282-C293 WeakPolarHBondContact CB-SG 3.04Å; C282-C293 WeakPolarHBondContact SG-CA 3.47Å; C282-C293 WeakPolarHBondContact SG-CB 3.21Å; C282-C293 CovalentContact SG-SG 2.02Å; C282-C293 PolarHBondContact SG-SG 2.02Å; C282-G298 PolarHBondContact N-O 2.95Å; C282-G298 VanDerWaalsContact SG-C 3.58Å; C282-I299 PolarHBondContact SG-O 2.73Å; C282-C300 VanDerWaalsContact CB-SG 3.56Å
283H73.5Confident73.9Confident197 Ų19790.2 Ų90.291%0.91249%0.492SS*.SBendtrans-123.855.3175.7-163.4-81.7000109.9
284G72.9Confident74.1Confident39 Ų3986.3 Ų86.340%0.40247%0.474SS..SBendtrans121.3-50.2178.800000113.7C293G284-C293 WeakPolarHBondContact O-CB 2.98Å
285N76.6Confident74.7Confident146 Ų14691.7 Ų91.778%0.78149%0.492SS*.  trans-129.7158.3-177.6-67.7-5.5000111.6C282C282-N285 WeakPolarHBondContact CB-O 2.96Å
286C82Confident75Confident27 Ų2787.3 Ų87.318%0.18248%0.478CS..  trans-115148.5176-68.20000110.5T291 C300C286-T291 WeakPolarHBondContact CB-OG1 3.45Å; C286-C300 HydrophobicContact CB-CB 3.95Å; C286-C300 WeakPolarHBondContact CB-SG 3.4Å; C286-C300 WeakPolarHBondContact SG-CA 3.37Å; C286-C300 WeakPolarHBondContact SG-CB 3.37Å; C286-C300 CovalentContact SG-SG 2.03Å; C286-C300 PolarHBondContact SG-SG 3.22Å
287T76.3Confident75.7Confident150 Ų15087.9 Ų87.992%0.9247%0.465SS*.SBendtrans-78.6-23.5-172.8-34.30000113.1
288E76.7Confident76.5Confident118 Ų11881.4 Ų81.455%0.55144%0.442SS*.SBendtrans-88.7134.7-176.6-73.3-175.7-175.400112.1G290 T291E288-G290 PolarHBondContact O-N 3.14Å; E288-T291 HydrophobicContact CB-CG2 3.58Å; E288-T291 WeakPolarHBondContact O-CB 3.02Å; E288-T291 PolarHBondContact O-N 3.39Å; E288-T291 PolarHBondContact O-OG1 2.83Å
289S76.8Confident77.4Confident130 Ų13076.3 Ų76.391%0.90941%0.414SS*.THydrogen-bonded Turntrans-62.4132.5175.1-57.80000111.2
290G79.3Confident77.8Confident48 Ų4875.4 Ų75.450%0.49541%0.411SS..THydrogen-bonded Turntrans79.425-176.100000113.6E288 T303E288-G290 PolarHBondContact O-N 3.14Å; G290-T303 PolarHBondContact O-N 3.37Å; G290-T303 PolarHBondContact O-OG1 2.54Å
291T87.4Confident78.2Confident27 Ų2773.4 Ų73.417%0.16640%0.399CS..EExtended strand (participates in β ladder)trans-124.715217571.90000110.2L272 C286 E288 C301L272-T291 HydrophobicContact CD1-CG2 3.55Å; C286-T291 WeakPolarHBondContact CB-OG1 3.45Å; E288-T291 HydrophobicContact CB-CG2 3.58Å; E288-T291 WeakPolarHBondContact O-CB 3.02Å; E288-T291 PolarHBondContact O-N 3.39Å; E288-T291 PolarHBondContact O-OG1 2.83Å; T291-C301 CarbonylContact C-O 3.53Å; T291-C301 WeakPolarHBondContact CA-O 3.49Å; T291-C301 WeakPolarHBondContact CB-O 3.24Å
292F85Confident78.6Confident51 Ų5166.6 Ų66.622%0.22438%0.376CS..EExtended strand (participates in β ladder)trans-132.8155.6176.472.3-79.2000110.3C266 S267 R268 E294 C301 T303C266-F292 HydrophobicContact CB-CZ 4.37Å; S267-F292 VanDerWaalsContact OG-CE2 3.32Å; S267-F292 WeakPolarHBondContact OG-CE2 3.38Å; R268-F292 HydrophobicContact CB-CE1 4.01Å; R268-F292 HydrophobicContact CB-CZ 4.07Å; R268-F292 WeakPolarHBondContact O-CE1 3.47Å; R268-F292 VanDerWaalsContact O-CZ 3.28Å; R268-F292 WeakPolarHBondContact O-CZ 3.28Å; F292-E294 HydrophobicContact CE2-CB 4.46Å; F292-C301 HydrophobicContact CD1-CB 3.99Å; F292-C301 HydrophobicContact CE1-CB 3.49Å; F292-C301 VanDerWaalsContact CE1-CB 3.49Å; F292-C301 HydrophobicContact CE2-CB 4.08Å; F292-C301 HydrophobicContact CZ-CB 3.53Å; F292-C301 PolarHBondContact N-O 3.08Å; F292-C301 PolarHBondContact O-N 2.94Å; F292-T303 HydrophobicContact CD1-CG2 3.43Å; F292-T303 VanDerWaalsContact CD1-CG2 3.43Å; F292-T303 HydrophobicContact CE1-CG2 3.9Å; F292-T303 HydrophobicContact CG-CG2 4.44Å
293C82.5Confident78.6Confident17 Ų1769.3 Ų69.312%0.11539%0.392CS..EExtended strand (participates in β ladder)trans-87.6117178.5-174.70000110.3C282 G284 K295C282-C293 HydrophobicContact CB-CB 3.73Å; C282-C293 WeakPolarHBondContact CB-SG 3.04Å; C282-C293 WeakPolarHBondContact SG-CA 3.47Å; C282-C293 WeakPolarHBondContact SG-CB 3.21Å; C282-C293 CovalentContact SG-SG 2.02Å; C282-C293 PolarHBondContact SG-SG 2.02Å; G284-C293 WeakPolarHBondContact O-CB 2.98Å; C293-K295 PolarHBondContact O-N 3.28Å
294E80.5Confident77.9Confident18 Ų1872 Ų728%0.08440%0.401CS..EExtended strand (participates in β ladder)trans-78.9102.7171.6-176.854.8-94.800109.1S267 F292 I296 Y297 G298 I299S267-E294 WeakPolarHBondContact CB-OE2 3.07Å; S267-E294 PolarHBondContact N-OE2 3Å; S267-E294 PolarHBondContact OG-OE2 2.86Å; F292-E294 HydrophobicContact CE2-CB 4.46Å; E294-I296 HydrophobicContact CG-CB 4.45Å; E294-I296 PolarHBondContact O-N 3.46Å; E294-Y297 HydrophobicContact CG-CD2 3.94Å; E294-Y297 PolarHBondContact O-N 3.37Å; E294-G298 WeakPolarHBondContact O-CA 3.08Å; E294-G298 PolarHBondContact O-N 2.97Å; E294-I299 HydrophobicContact CB-CG1 4.27Å; E294-I299 PolarHBondContact N-O 2.05Å; E294-I299 PolarHBondContact O-N 3.03Å
295K77.6Confident78.1Confident181 Ų18173.7 Ų73.779%0.78740%0.401SS*.THydrogen-bonded Turntrans-63.9-27.4-172.6-66.8-177.3180179.60112.9C293 Y297C293-K295 PolarHBondContact O-N 3.28Å; K295-Y297 VanDerWaalsContact C-N 3.28Å; K295-Y297 PolarHBondContact O-N 2.7Å
296I70.1Confident78.2Confident129 Ų12969.8 Ų69.866%0.66238%0.381SS*.THydrogen-bonded Turntrans-63.9-36.8-179.4-60.1175.2000110.9E294E294-I296 HydrophobicContact CG-CB 4.45Å; E294-I296 PolarHBondContact O-N 3.46Å
297Y73.6Confident78Confident62 Ų6272.2 Ų72.224%0.24339%0.392CS..THydrogen-bonded Turntrans-113.6-12.5-175.4-57.4-52000113.8I257 P264 L265 R281 E294 K295 I299I257-Y297 HydrophobicContact CD1-CD1 3.33Å; I257-Y297 HydrophobicContact CD1-CE1 3.94Å; I257-Y297 HydrophobicContact CD1-CG 4.3Å; P264-Y297 HydrophobicContact CB-CD1 4.41Å; P264-Y297 HydrophobicContact CB-CD2 3.69Å; P264-Y297 HydrophobicContact CB-CE2 4.02Å; P264-Y297 HydrophobicContact CB-CG 3.9Å; L265-Y297 WeakPolarHBondContact O-CE2 3.42Å; R281-Y297 PolarHBondContact NH1-O 2.92Å; E294-Y297 HydrophobicContact CG-CD2 3.94Å; E294-Y297 PolarHBondContact O-N 3.37Å; K295-Y297 VanDerWaalsContact C-N 3.28Å; K295-Y297 PolarHBondContact O-N 2.7Å; Y297-I299 HydrophobicContact CD2-CD1 4.42Å
298G75Confident78.1Confident18 Ų1867.6 Ų67.619%0.18636%0.361CS..THydrogen-bonded Turntrans64.937.5-174.400000112.6R281 C282 E294R281-G298 VanDerWaalsContact CA-O 3.3Å; R281-G298 WeakPolarHBondContact CA-O 3.32Å; R281-G298 WeakPolarHBondContact CD-O 3.48Å; C282-G298 PolarHBondContact N-O 2.95Å; C282-G298 VanDerWaalsContact SG-C 3.58Å; E294-G298 WeakPolarHBondContact O-CA 3.08Å; E294-G298 PolarHBondContact O-N 2.97Å
299I80.9Confident78.2Confident0 Ų064.5 Ų64.50%035%0.349CS..EExtended strand (participates in β ladder)trans-122.9150.8-179.668.1-175.8000112.1L255 P264 P271 F279 V280 C282 E294 Y297L255-I299 HydrophobicContact CD1-CD1 4.45Å; L255-I299 HydrophobicContact CD1-CG2 3.83Å; P264-I299 HydrophobicContact CB-CD1 3.56Å; P264-I299 HydrophobicContact CG-CD1 3.8Å; P271-I299 HydrophobicContact CB-CD1 4.08Å; P271-I299 HydrophobicContact CG-CD1 4.35Å; F279-I299 HydrophobicContact CB-CB 4.49Å; F279-I299 HydrophobicContact CB-CG2 3.81Å; F279-I299 HydrophobicContact CD1-CD1 4.26Å; F279-I299 HydrophobicContact CG-CG2 4.32Å; V280-I299 CarbonylContact O-C 3.51Å; V280-I299 VanDerWaalsContact O-CA 3.28Å; V280-I299 WeakPolarHBondContact O-CA 3.47Å; C282-I299 PolarHBondContact SG-O 2.73Å; E294-I299 HydrophobicContact CB-CG1 4.27Å; E294-I299 PolarHBondContact N-O 2.05Å; E294-I299 PolarHBondContact O-N 3.03Å; Y297-I299 HydrophobicContact CD2-CD1 4.42Å
300C80.4Confident78.3Confident3 Ų360.1 Ų60.12%0.0231%0.312CS..EExtended strand (participates in β ladder)trans-80.4132.4173.1-68.60000111.3L272 V280 C282 C286L272-C300 HydrophobicContact CD1-CB 3.98Å; L272-C300 PolarHBondContact N-O 2.93Å; V280-C300 HydrophobicContact CB-CB 4.12Å; V280-C300 HydrophobicContact CG1-CB 3.96Å; V280-C300 PolarHBondContact O-N 2.86Å; C282-C300 VanDerWaalsContact CB-SG 3.56Å; C286-C300 HydrophobicContact CB-CB 3.95Å; C286-C300 WeakPolarHBondContact CB-SG 3.4Å; C286-C300 WeakPolarHBondContact SG-CA 3.37Å; C286-C300 WeakPolarHBondContact SG-CB 3.37Å; C286-C300 CovalentContact SG-SG 2.03Å; C286-C300 PolarHBondContact SG-SG 3.22Å
301C84.8Confident78.2Confident0 Ų061 Ų610%030%0.299CS..EExtended strand (participates in β ladder)trans-119.9140.2-179.7-67.20000109.6C266 T291 F292C266-C301 HydrophobicContact CB-CB 3.53Å; C266-C301 WeakPolarHBondContact CB-SG 3.4Å; C266-C301 WeakPolarHBondContact SG-CB 3.39Å; C266-C301 CovalentContact SG-SG 2.01Å; C266-C301 PolarHBondContact SG-SG 2.79Å; T291-C301 CarbonylContact C-O 3.53Å; T291-C301 WeakPolarHBondContact CA-O 3.49Å; T291-C301 WeakPolarHBondContact CB-O 3.24Å; F292-C301 HydrophobicContact CD1-CB 3.99Å; F292-C301 HydrophobicContact CE1-CB 3.49Å; F292-C301 VanDerWaalsContact CE1-CB 3.49Å; F292-C301 HydrophobicContact CE2-CB 4.08Å; F292-C301 HydrophobicContact CZ-CB 3.53Å; F292-C301 PolarHBondContact N-O 3.08Å; F292-C301 PolarHBondContact O-N 2.94Å
302S84.8Confident77.5Confident19 Ų1963.6 Ų63.613%0.13331%0.309CS..EExtended strand (participates in β ladder)trans-77.5138.5173.361.10000110.8G269 T270 K304G269-S302 VanDerWaalsContact CA-O 3.31Å; G269-S302 WeakPolarHBondContact CA-O 3.37Å; T270-S302 PolarHBondContact N-OG 3.28Å; T270-S302 PolarHBondContact O-N 2.94Å; T270-S302 PolarHBondContact O-OG 3.18Å; T270-S302 PolarHBondContact OG1-OG 3.16Å; S302-K304 PolarHBondContact O-N 2.69Å
303T74.6Confident76.9Confident76 Ų7664.7 Ų64.747%0.46632%0.316SS..  trans-90.282.716359.60000108.1G290 F292G290-T303 PolarHBondContact O-N 3.37Å; G290-T303 PolarHBondContact O-OG1 2.54Å; F292-T303 HydrophobicContact CD1-CG2 3.43Å; F292-T303 VanDerWaalsContact CD1-CG2 3.43Å; F292-T303 HydrophobicContact CE1-CG2 3.9Å; F292-T303 HydrophobicContact CG-CG2 4.44Å
304K57.7Low76.4Confident253 Ų25369 Ų69100%1.134%0.335SS*.  trans-89.50159.8-96.5-171.3176.5179.60110S302S302-K304 PolarHBondContact O-N 2.69Å

Retrieved 304 of 304 residues in 127.5 ms (Link to these results)