A0A087XVX4_POEFO Loading...

THAP domain containing 4

AlphaFold DB (A0A3B3W1R2), UniProt , Accession A0A087XVX4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 170 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M38.4Very low55.6Low243 Ų243132.2 Ų132.2100%1.19782%0.815SS**  0119.70-76-171.6-85.200106.8
2A35.4Very low59.1Low102 Ų102124 Ų12484%0.84376%0.762SS**  trans-66.1133-177.900000110.2
3S36.8Very low62.1Low114 Ų114117.1 Ų117.180%0.79772%0.717SS**  trans-61.9129.2168.3-720000109.1T5S3-T5 PolarHBondContact O-N 3.13Å; S3-T5 VanDerWaalsContact O-N 3.13Å
4P47.2Very low64.6Low118 Ų118114.4 Ų114.477%0.76670%0.703SS**  trans-74.2108.6174.829.4-30000109.1
5T44.5Very low66.8Low124 Ų124110.7 Ų110.776%0.76168%0.676SS**  trans38.8119.5139.2570000118.5S3 G7S3-T5 PolarHBondContact O-N 3.13Å; S3-T5 VanDerWaalsContact O-N 3.13Å; T5-G7 PolarHBondContact O-N 2.86Å
6D50.3Low68.8Low178 Ų178103.8 Ų103.895%0.95263%0.634SS**  trans-37.898.4153.6-70.8-44.7000110.7N8D6-N8 PolarHBondContact O-N 3.48Å
7G43.2Very low70.5Confident66 Ų66105.2 Ų105.268%0.6863%0.63SS**  trans-75.6122.4175.400000108.6T5 A9T5-G7 PolarHBondContact O-N 2.86Å; G7-A9 PolarHBondContact O-N 3.03Å
8N51.5Low72Confident161 Ų161102.8 Ų102.886%0.86162%0.617SS**  trans-24.8109172.5-94.6-21.5000112.2D6 V10D6-N8 PolarHBondContact O-N 3.48Å; N8-V10 PolarHBondContact O-N 3.31Å
9A77.6Confident73.4Confident100 Ų10097.4 Ų97.483%0.82659%0.585SS**PPolyproline II helixtrans-55.8116.8171.200000107.7G7 E11G7-A9 PolarHBondContact O-N 3.03Å; A9-E11 PolarHBondContact O-N 3.02Å
10V90.8Very high74.6Confident88 Ų8895.5 Ų95.553%0.53358%0.576SS.*PPolyproline II helixtrans-61.4129.2179.9179.40000108.1N8 H52N8-V10 PolarHBondContact O-N 3.31Å; V10-H52 PolarHBondContact O-CE1 3.37Å; V10-H52 VanDerWaalsContact O-CE1 3.28Å
11E96Very high75.7Confident160 Ų16091.8 Ų91.875%0.74855%0.552SS**PPolyproline II helixtrans-64.8138.9-178.5-166.6-179.4168.300111A9 N13 G54A9-E11 PolarHBondContact O-N 3.02Å; E11-N13 PolarHBondContact O-N 3.28Å; E11-G54 WeakPolarHBondContact O-CA 3.34Å
12L97.6Very high78.6Confident34 Ų3480.2 Ų80.218%0.17850%0.495CS..PPolyproline II helixtrans-66.3127.1174.5-178.964.4000109.8L16 L23 H52L12-L16 HydrophobicContact CD1-CB 3.73Å; L12-L16 HydrophobicContact CD1-CD1 3.81Å; L12-L16 HydrophobicContact CD1-CG 4.43Å; L12-L16 HydrophobicContact CD2-CB 4.49Å; L12-L16 HydrophobicContact CG-CB 4.15Å; L12-L23 HydrophobicContact CD1-CD1 3.77Å; L12-L23 HydrophobicContact CD2-CD1 3.92Å; L12-L23 HydrophobicContact CG-CD1 4.44Å; L12-H52 HydrophobicContact CD1-CB 4.35Å
13N97.9Very high81.6Confident34 Ų3476.9 Ų76.918%0.18246%0.463CS..PPolyproline II helixtrans-55128.8174.2-166.3-66.4000110.3E11 I15 L16 G54E11-N13 PolarHBondContact O-N 3.28Å; N13-I15 PolarHBondContact O-N 3.37Å; N13-I15 WeakPolarHBondContact OD1-CB 3.41Å; N13-I15 PolarHBondContact OD1-N 2.82Å; N13-I15 VanDerWaalsContact OD1-N 3.09Å; N13-L16 HydrophobicContact CB-CD1 4.23Å; N13-L16 HydrophobicContact CB-CG 4.25Å; N13-L16 WeakPolarHBondContact O-CB 3.48Å; N13-L16 PolarHBondContact O-N 3.47Å; N13-G54 WeakPolarHBondContact CB-O 3.46Å; N13-G54 PolarHBondContact ND2-O 2.98Å
14P97.6Very high84.5Confident80 Ų8072.3 Ų72.352%0.51943%0.433SS..G310 helixtrans-55.1-29.8-177.2-29.536000114.8L16 K17P14-L16 PolarHBondContact O-N 3.23Å; P14-K17 HydrophobicContact CB-CD 4.49Å; P14-K17 WeakPolarHBondContact O-CB 3.45Å; P14-K17 WeakPolarHBondContact O-CG 3.38Å; P14-K17 PolarHBondContact O-N 3.04Å
15I97.8Very high87Confident59 Ų5967.1 Ų67.130%0.30340%0.399SS..G310 helixtrans-60.5-30.5176.2-70.5163.7000111.4N13 P18 P56 I82 P84N13-I15 PolarHBondContact O-N 3.37Å; N13-I15 WeakPolarHBondContact OD1-CB 3.41Å; N13-I15 PolarHBondContact OD1-N 2.82Å; N13-I15 VanDerWaalsContact OD1-N 3.09Å; I15-P18 WeakPolarHBondContact O-CD 3.36Å; I15-P56 HydrophobicContact CB-CB 4.41Å; I15-P56 HydrophobicContact CD1-CB 4.11Å; I15-P56 HydrophobicContact CG2-CB 4.42Å; I15-I82 HydrophobicContact CG2-CG2 3.51Å; I15-I82 WeakPolarHBondContact O-CG2 3.44Å; I15-P84 HydrophobicContact CD1-CB 4.45Å; I15-P84 HydrophobicContact CD1-CG 3.93Å; I15-P84 HydrophobicContact CG1-CG 4.39Å; I15-P84 HydrophobicContact CG2-CG 4.41Å
16L98.1Very high89.6Confident0 Ų061.2 Ų61.20%036%0.363CS..G310 helixtrans-87.8-5.3-177.7-60.5179.3000114L12 N13 P14 P18 L19 S20 H52 Q55 V57 I58 I82L12-L16 HydrophobicContact CD1-CB 3.73Å; L12-L16 HydrophobicContact CD1-CD1 3.81Å; L12-L16 HydrophobicContact CD1-CG 4.43Å; L12-L16 HydrophobicContact CD2-CB 4.49Å; L12-L16 HydrophobicContact CG-CB 4.15Å; N13-L16 HydrophobicContact CB-CD1 4.23Å; N13-L16 HydrophobicContact CB-CG 4.25Å; N13-L16 WeakPolarHBondContact O-CB 3.48Å; N13-L16 PolarHBondContact O-N 3.47Å; P14-L16 PolarHBondContact O-N 3.23Å; L16-P18 VanDerWaalsContact C-N 3.29Å; L16-L19 CarbonylContact O-C 3.54Å; L16-L19 WeakPolarHBondContact O-CA 3.16Å; L16-L19 PolarHBondContact O-N 3.09Å; L16-S20 PolarHBondContact O-N 2.86Å; L16-S20 VanDerWaalsContact O-N 3.13Å; L16-H52 HydrophobicContact CD1-CB 4.44Å; L16-Q55 WeakPolarHBondContact CD1-O 3.36Å; L16-V57 WeakPolarHBondContact CD1-O 3.43Å; L16-I58 HydrophobicContact CD1-CG1 3.98Å; L16-I58 HydrophobicContact CD2-CG1 4.15Å; L16-I82 HydrophobicContact CD2-CG2 4.22Å
17K97.3Very high91.8Very high128 Ų12856.4 Ų56.456%0.55734%0.335SS*.G310 helixtrans-49.7-41.9179.4-73.9176.9177.9-178.20113.6P14 L19 S20P14-K17 HydrophobicContact CB-CD 4.49Å; P14-K17 WeakPolarHBondContact O-CB 3.45Å; P14-K17 WeakPolarHBondContact O-CG 3.38Å; P14-K17 PolarHBondContact O-N 3.04Å; K17-L19 PolarHBondContact O-N 2.86Å; K17-S20 WeakPolarHBondContact O-CB 3.18Å; K17-S20 PolarHBondContact O-N 2.78Å; K17-S20 PolarHBondContact O-OG 2.79Å
18P98.1Very high94.4Very high62 Ų6254.1 Ų54.140%0.40331%0.309SS..G310 helixtrans-63.2-21.9176.8-22.935.4000114.5I15 L16 W21 I82 L107I15-P18 WeakPolarHBondContact O-CD 3.36Å; L16-P18 VanDerWaalsContact C-N 3.29Å; P18-W21 PolarHBondContact O-NE1 2.89Å; P18-I82 HydrophobicContact CB-CD1 4.13Å; P18-I82 HydrophobicContact CG-CD1 4.25Å; P18-L107 HydrophobicContact CB-CD2 3.51Å
19L98.4Very high96.1Very high0 Ų050 Ų500%029%0.286CS..G310 helixtrans-103.92.4180-62.4-179.7000113.1L16 K17 W21 L22 I58 I80 I82 V89 L107 L112L16-L19 CarbonylContact O-C 3.54Å; L16-L19 WeakPolarHBondContact O-CA 3.16Å; L16-L19 PolarHBondContact O-N 3.09Å; K17-L19 PolarHBondContact O-N 2.86Å; L19-W21 PolarHBondContact O-N 2.97Å; L19-L22 HydrophobicContact CB-CD1 4.46Å; L19-L22 HydrophobicContact CD2-CD1 4.42Å; L19-L22 WeakPolarHBondContact O-CB 3.39Å; L19-L22 PolarHBondContact O-N 3.08Å; L19-I58 HydrophobicContact CB-CD1 3.66Å; L19-I58 HydrophobicContact CD1-CD1 4.24Å; L19-I80 HydrophobicContact CD1-CG2 3.93Å; L19-I82 HydrophobicContact CD1-CB 3.97Å; L19-I82 HydrophobicContact CD1-CG2 4.2Å; L19-I82 HydrophobicContact CG-CD1 4.45Å; L19-V89 HydrophobicContact CD1-CG1 4.44Å; L19-V89 HydrophobicContact CD1-CG2 4.41Å; L19-V89 HydrophobicContact CD2-CG2 4.28Å; L19-L107 HydrophobicContact CD2-CD1 4.14Å; L19-L107 HydrophobicContact CD2-CD2 3.98Å; L19-L112 HydrophobicContact CD2-CD1 4.1Å; L19-L112 HydrophobicContact CD2-CD2 3.93Å; L19-L112 HydrophobicContact CD2-CG 4.4Å
20S97.8Very high97Very high59 Ų5952 Ų5241%0.41328%0.279SS..G310 helixtrans-56.7-26.1-176.657.30000113.5L16 K17 L22 L23L16-S20 PolarHBondContact O-N 2.86Å; L16-S20 VanDerWaalsContact O-N 3.13Å; K17-S20 WeakPolarHBondContact O-CB 3.18Å; K17-S20 PolarHBondContact O-N 2.78Å; K17-S20 PolarHBondContact O-OG 2.79Å; S20-L22 PolarHBondContact O-N 2.91Å; S20-L23 WeakPolarHBondContact O-CB 3.43Å; S20-L23 PolarHBondContact O-N 3.22Å; S20-L23 VanDerWaalsContact O-N 3.16Å
21W98.1Very high97.3Very high18 Ų1849.5 Ų49.57%0.06826%0.264CS..G310 helixtrans-62.8-22.8176.659.9-92.3000113.7P18 L19 W26 L107 N110 L112 L137 L139 L145 R168P18-W21 PolarHBondContact O-NE1 2.89Å; L19-W21 PolarHBondContact O-N 2.97Å; W21-W26 WeakPolarHBondContact O-CZ2 3.43Å; W21-L107 HydrophobicContact CZ2-CD1 4.07Å; W21-N110 VanDerWaalsContact CD1-ND2 3.25Å; W21-N110 HydrophobicContact CD2-CB 4.36Å; W21-N110 VanDerWaalsContact CG-ND2 3.32Å; W21-N110 WeakPolarHBondContact CH2-O 3.32Å; W21-N110 WeakPolarHBondContact CZ2-O 3.33Å; W21-L112 HydrophobicContact CH2-CD1 4.34Å; W21-L112 HydrophobicContact CH2-CG 4.31Å; W21-L112 HydrophobicContact CZ2-CD1 4.17Å; W21-L112 HydrophobicContact CZ2-CG 3.97Å; W21-L137 HydrophobicContact CH2-CB 4.24Å; W21-L139 HydrophobicContact CB-CD2 4.07Å; W21-L139 HydrophobicContact CD2-CB 4.31Å; W21-L139 HydrophobicContact CE3-CB 3.71Å; W21-L139 HydrophobicContact CZ3-CB 4.07Å; W21-L145 HydrophobicContact CE3-CD1 4.46Å; W21-L145 HydrophobicContact CZ3-CD1 3.67Å; W21-R168 PolarHBondContact O-NH2 2.91Å
22L98.4Very high97.4Very high0 Ų042 Ų420%023%0.23CC..G310 helixtrans-74.6-32.5175.2-70.2170.7000112.9L19 S20 W26 F50 I80 L112 L137L19-L22 HydrophobicContact CB-CD1 4.46Å; L19-L22 HydrophobicContact CD2-CD1 4.42Å; L19-L22 WeakPolarHBondContact O-CB 3.39Å; L19-L22 PolarHBondContact O-N 3.08Å; S20-L22 PolarHBondContact O-N 2.91Å; L22-W26 PolarHBondContact O-NE1 2.91Å; L22-F50 HydrophobicContact CB-CD1 4.2Å; L22-F50 HydrophobicContact CB-CD2 4.43Å; L22-F50 HydrophobicContact CB-CG 4.15Å; L22-F50 HydrophobicContact CD2-CE1 4.32Å; L22-F50 HydrophobicContact CD2-CE2 4.44Å; L22-F50 HydrophobicContact CD2-CZ 4.1Å; L22-F50 WeakPolarHBondContact O-CB 3.45Å; L22-F50 WeakPolarHBondContact O-CD2 3.5Å; L22-F50 WeakPolarHBondContact O-CG 3.38Å; L22-I80 HydrophobicContact CD1-CD1 3.94Å; L22-L112 HydrophobicContact CD1-CD1 3.85Å; L22-L137 HydrophobicContact CD2-CD1 4.23Å
23L98.4Very high97.4Very high32 Ų3244.4 Ų44.417%0.16824%0.241CC..  trans-57.7138.4-169.7-64.3175.9000111.9L12 S20 I58 R168L12-L23 HydrophobicContact CD1-CD1 3.77Å; L12-L23 HydrophobicContact CD2-CD1 3.92Å; L12-L23 HydrophobicContact CG-CD1 4.44Å; S20-L23 WeakPolarHBondContact O-CB 3.43Å; S20-L23 PolarHBondContact O-N 3.22Å; S20-L23 VanDerWaalsContact O-N 3.16Å; L23-I58 HydrophobicContact CD2-CD1 4.18Å; L23-I58 HydrophobicContact CD2-CG1 4.1Å; L23-I58 HydrophobicContact CD2-CG2 4.18Å; L23-R168 PolarHBondContact O-NH1 2.87Å
24G98.1Very high97.4Very high17 Ų1742.8 Ų42.818%0.17523%0.232CC..EExtended strand (participates in β ladder)trans115.8-170.8-177.500000112.5F50 S170G24-F50 PolarHBondContact N-O 3.38Å; G24-F50 PolarHBondContact O-N 3.2Å; G24-S170 CarbonylContact C-O 3.55Å; G24-S170 WeakPolarHBondContact CA-O 3.35Å
25T98.8Very high97.4Very high10 Ų1040.7 Ų40.76%0.06122%0.218CC..EExtended strand (participates in β ladder)trans-105.1136.9178.3-530000110E27 K47 L48 H49 R168 S169 S170T25-E27 HydrophobicContact CG2-CG 4.46Å; T25-K47 HydrophobicContact CG2-CD 4.35Å; T25-K47 VanDerWaalsContact CG2-CE 3.43Å; T25-K47 HydrophobicContact CG2-CG 4.15Å; T25-L48 WeakPolarHBondContact CA-O 3.34Å; T25-L48 WeakPolarHBondContact CG2-O 3.44Å; T25-H49 PolarHBondContact OG1-ND1 3.24Å; T25-H49 VanDerWaalsContact OG1-ND1 3.08Å; T25-R168 WeakPolarHBondContact O-CA 3.36Å; T25-S169 WeakPolarHBondContact CB-OG 3.37Å; T25-S169 VanDerWaalsContact CG2-OG 3.24Å; T25-S169 WeakPolarHBondContact CG2-OG 3.35Å; T25-S169 PolarHBondContact O-N 3.3Å; T25-S170 WeakPolarHBondContact CB-OG 3.45Å; T25-S170 PolarHBondContact N-O 3.06Å; T25-S170 PolarHBondContact OG1-OG 2.96Å
26W98.8Very high97.3Very high0 Ų038.5 Ų38.50%021%0.206CC..EExtended strand (participates in β ladder)trans-126.5135.4178-57.586.8000109.6W21 L22 K47 L48 F50 L139 G143 L145 Y166 S167 R168W21-W26 WeakPolarHBondContact O-CZ2 3.43Å; L22-W26 PolarHBondContact O-NE1 2.91Å; W26-K47 CarbonylContact O-C 3.6Å; W26-K47 WeakPolarHBondContact O-CA 3.26Å; W26-L48 HydrophobicContact CB-CB 4.09Å; W26-L48 HydrophobicContact CB-CD1 4.3Å; W26-L48 HydrophobicContact CB-CG 4.27Å; W26-L48 PolarHBondContact N-O 2.87Å; W26-L48 PolarHBondContact O-N 2.82Å; W26-F50 AromaticContact CD1-CD2 3.66Å; W26-F50 AromaticContact CD1-CE2 3.75Å; W26-F50 AromaticContact NE1-CD2 3.88Å; W26-L139 HydrophobicContact CH2-CD1 3.51Å; W26-L139 HydrophobicContact CZ2-CD1 4.29Å; W26-L139 HydrophobicContact CZ3-CD1 4.29Å; W26-G143 WeakPolarHBondContact CZ3-O 3.41Å; W26-L145 HydrophobicContact CB-CD2 4.41Å; W26-L145 HydrophobicContact CD2-CB 3.96Å; W26-L145 HydrophobicContact CD2-CD2 3.81Å; W26-L145 HydrophobicContact CE3-CB 3.59Å; W26-L145 HydrophobicContact CE3-CD2 4.32Å; W26-L145 HydrophobicContact CG-CD2 3.85Å; W26-L145 HydrophobicContact CH2-CB 4.05Å; W26-L145 HydrophobicContact CZ2-CB 4.34Å; W26-L145 HydrophobicContact CZ2-CD2 4.45Å; W26-L145 HydrophobicContact CZ3-CB 3.67Å; W26-Y166 HydrophobicContact CB-CG 4.25Å; W26-S167 WeakPolarHBondContact CA-O 3.17Å; W26-R168 HydrophobicContact CD2-CB 4.46Å; W26-R168 HydrophobicContact CE3-CB 3.94Å; W26-R168 HydrophobicContact CH2-CB 4.24Å; W26-R168 VanDerWaalsContact CH2-NH2 3.29Å; W26-R168 HydrophobicContact CZ3-CB 3.79Å
27E98.4Very high97.1Very high76 Ų7642.5 Ų42.536%0.35523%0.232SC..EExtended strand (participates in β ladder)trans-130.9140.2178.9-69.3177.7-148.300109.2T25 D29 K47 Y166 S167 S169T25-E27 HydrophobicContact CG2-CG 4.46Å; E27-D29 PolarHBondContact O-N 3.07Å; E27-K47 HydrophobicContact CG-CB 4.13Å; E27-K47 HydrophobicContact CG-CD 3.98Å; E27-K47 HydrophobicContact CG-CG 3.82Å; E27-K47 WeakPolarHBondContact OE1-CE 3.45Å; E27-K47 IonicContact OE1-NZ 2.71Å; E27-K47 PolarHBondContact OE1-NZ 2.96Å; E27-Y166 CarbonylContact O-C 3.5Å; E27-Y166 VanDerWaalsContact O-CA 3.25Å; E27-Y166 WeakPolarHBondContact O-CA 3.35Å; E27-Y166 WeakPolarHBondContact O-CB 3.24Å; E27-S167 PolarHBondContact N-O 3.13Å; E27-S167 PolarHBondContact O-N 3.28Å; E27-S169 PolarHBondContact OE1-OG 2.71Å; E27-S169 VanDerWaalsContact OE1-OG 3.07Å
28S97.1Very high96.9Very high19 Ų1940.2 Ų40.213%0.13323%0.229CC..EExtended strand (participates in β ladder)trans-67.1119.9179.760.70000110.6T45 E46 T165S28-T45 WeakPolarHBondContact OG-CA 3.39Å; S28-T45 WeakPolarHBondContact OG-CB 3.17Å; S28-E46 PolarHBondContact N-O 3.07Å; S28-E46 PolarHBondContact OG-N 3.19Å; S28-E46 VanDerWaalsContact OG-N 3.09Å; S28-T165 WeakPolarHBondContact CA-O 3.33Å
29D87.4Confident96.7Very high73 Ų7340.9 Ų40.939%0.3923%0.228SC..SBendtrans-66.8-42.3176-64.1-29.8000111.4E27 K144 S167E27-D29 PolarHBondContact O-N 3.07Å; D29-K144 IonicContact OD2-NZ 3.41Å; D29-K144 PolarHBondContact OD2-NZ 2.62Å; D29-S167 WeakPolarHBondContact OD1-CB 3.47Å; D29-S167 PolarHBondContact OD1-OG 2.89Å; D29-S167 PolarHBondContact OD2-OG 3.16Å
30E95.6Very high96.6Very high142 Ų14249.7 Ų49.766%0.66427%0.266SS*.SBendtrans-123.4148.1177.2-69.4-63156.500108G32E30-G32 PolarHBondContact O-N 2.87Å
31P97.9Very high96.6Very high36 Ų3651.4 Ų51.423%0.23428%0.276CS..  trans-55.3134.8177.4-25.634.4000111.3R43 Y44 T45 A67P31-R43 HydrophobicContact CB-CB 4.05Å; P31-R43 VanDerWaalsContact O-CZ 3.32Å; P31-R43 PolarHBondContact O-NE 2.85Å; P31-R43 PolarHBondContact O-NH2 3.04Å; P31-Y44 CarbonylContact C-O 3.57Å; P31-Y44 WeakPolarHBondContact CA-O 3.34Å; P31-T45 HydrophobicContact CG-CG2 4.33Å; P31-A67 HydrophobicContact CB-CB 3.83Å; P31-A67 HydrophobicContact CG-CB 3.88Å
32G98.1Very high96.6Very high3 Ų354 Ų543%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-66169.9166.400000112.3E30 R43 Y44 S163E30-G32 PolarHBondContact O-N 2.87Å; G32-R43 WeakPolarHBondContact O-CA 3.24Å; G32-R43 WeakPolarHBondContact O-CD 3.4Å; G32-R43 PolarHBondContact O-NE 2.93Å; G32-R43 VanDerWaalsContact O-NE 3.11Å; G32-Y44 PolarHBondContact N-O 3.35Å; G32-Y44 PolarHBondContact O-N 2.86Å; G32-S163 CarbonylContact C-O 3.53Å; G32-S163 VanDerWaalsContact CA-O 3.28Å; G32-S163 WeakPolarHBondContact CA-O 3.47Å
33E98.2Very high96.6Very high85 Ų8559.6 Ų59.640%0.39731%0.309SS..EExtended strand (participates in β ladder)trans-115.3130.2177.4-173.5172.2169.300110.3T35 R43 L162 S163E33-T35 HydrophobicContact CG-CG2 3.99Å; E33-T35 WeakPolarHBondContact OE1-CG2 3.11Å; E33-R43 IonicContact OE2-NH1 3.65Å; E33-L162 WeakPolarHBondContact O-CA 3.36Å; E33-S163 PolarHBondContact N-O 3.17Å; E33-S163 PolarHBondContact O-N 3.23Å
34G98Very high96.6Very high0 Ų058.2 Ų58.20%030%0.302CS..EExtended strand (participates in β ladder)trans-113.2124.2169.600000110.4P41 F42 H161G34-P41 CarbonylContact O-C 3.59Å; G34-P41 VanDerWaalsContact O-CA 3.29Å; G34-P41 WeakPolarHBondContact O-CA 3.49Å; G34-F42 PolarHBondContact N-O 2.89Å; G34-F42 WeakPolarHBondContact O-CD1 3.43Å; G34-F42 PolarHBondContact O-N 3.21Å; G34-H161 CarbonylContact C-O 3.49Å; G34-H161 VanDerWaalsContact CA-O 3.3Å; G34-H161 WeakPolarHBondContact CA-O 3.3Å
35T96.6Very high96.6Very high36 Ų3659.2 Ų59.222%0.22130%0.304CS..EExtended strand (participates in β ladder)trans-134.2148.1177.751.60000109.7E33 P41 H161E33-T35 HydrophobicContact CG-CG2 3.99Å; E33-T35 WeakPolarHBondContact OE1-CG2 3.11Å; T35-P41 HydrophobicContact CG2-CB 3.96Å; T35-P41 HydrophobicContact CG2-CG 4.13Å; T35-H161 PolarHBondContact N-O 3.46Å; T35-H161 CarbonylContact O-C 3.6Å; T35-H161 VanDerWaalsContact O-CA 3.24Å; T35-H161 WeakPolarHBondContact O-CA 3.29Å; T35-H161 PolarHBondContact O-ND1 2.85Å; T35-H161 VanDerWaalsContact O-O 3.06Å
36F95.6Very high96.6Very high12 Ų1259.2 Ų59.25%0.05330%0.304CS..EExtended strand (participates in β ladder)trans-158.7146167.8-152.5-117.8000107.6T38 I39 M151 T153 Q156 T159 H161F36-T38 WeakPolarHBondContact CD1-OG1 3.32Å; F36-T38 PolarHBondContact O-N 2.75Å; F36-I39 HydrophobicContact CB-CD1 3.59Å; F36-I39 HydrophobicContact CB-CG1 3.65Å; F36-I39 PolarHBondContact O-N 3.18Å; F36-I39 VanDerWaalsContact O-O 3.06Å; F36-M151 HydrophobicContact CD1-CE 4.15Å; F36-M151 HydrophobicContact CD2-CE 3.91Å; F36-M151 HydrophobicContact CE1-CE 3.91Å; F36-M151 HydrophobicContact CE2-CB 4.13Å; F36-M151 HydrophobicContact CE2-CE 3.67Å; F36-M151 WeakPolarHBondContact CE2-O 3.41Å; F36-M151 HydrophobicContact CG-CE 4.16Å; F36-M151 HydrophobicContact CZ-CE 3.67Å; F36-T153 HydrophobicContact CE1-CG2 3.88Å; F36-T153 HydrophobicContact CZ-CG2 3.87Å; F36-Q156 HydrophobicContact CE1-CB 3.84Å; F36-Q156 HydrophobicContact CE1-CG 3.71Å; F36-Q156 HydrophobicContact CE2-CG 4.07Å; F36-Q156 HydrophobicContact CZ-CB 3.79Å; F36-Q156 HydrophobicContact CZ-CG 3.41Å; F36-Q156 VanDerWaalsContact CZ-CG 3.41Å; F36-T159 HydrophobicContact CD2-CG2 4.06Å; F36-T159 HydrophobicContact CE2-CG2 3.71Å; F36-H161 HydrophobicContact CD2-CB 4.26Å; F36-H161 AromaticContact CD2-ND1 3.83Å
37P94.7Very high96.6Very high84 Ų8463.3 Ų63.355%0.54532%0.322SS..THydrogen-bonded Turntrans-56-24.2-174.4-32.540.9000115.3Q156 T159P37-Q156 HydrophobicContact CG-CG 4.18Å; P37-T159 HydrophobicContact CG-CG2 4.3Å
38T92.9Very high96.6Very high81 Ų8159.7 Ų59.750%0.49731%0.305SS..THydrogen-bonded Turntrans-101.71.2-176.6590000114.4F36F36-T38 WeakPolarHBondContact CD1-OG1 3.32Å; F36-T38 PolarHBondContact O-N 2.75Å
39I93.4Very high96.7Very high75 Ų7562.2 Ų62.239%0.38531%0.314SS..EExtended strand (participates in β ladder)trans-129.2158.7-179.274.9-171.9000111.3F36 F42F36-I39 HydrophobicContact CB-CD1 3.59Å; F36-I39 HydrophobicContact CB-CG1 3.65Å; F36-I39 PolarHBondContact O-N 3.18Å; F36-I39 VanDerWaalsContact O-O 3.06Å; I39-F42 HydrophobicContact CD1-CD1 4.15Å; I39-F42 HydrophobicContact CD1-CE1 3.71Å
40K96.7Very high97.2Very high185 Ų18558.9 Ų58.980%0.80430%0.296SS*.EExtended strand (participates in β ladder)trans-70138.3169.3-67.8-175.7179.3-178.40109.5
41P97.3Very high97.4Very high96 Ų9653.9 Ų53.962%0.62328%0.277SS*.EExtended strand (participates in β ladder)trans-51.4142.3169.8-2735.2000111.6G34 T35G34-P41 CarbonylContact O-C 3.59Å; G34-P41 VanDerWaalsContact O-CA 3.29Å; G34-P41 WeakPolarHBondContact O-CA 3.49Å; T35-P41 HydrophobicContact CG2-CB 3.96Å; T35-P41 HydrophobicContact CG2-CG 4.13Å
42F97.4Very high97.4Very high72 Ų7254.5 Ų54.532%0.31628%0.277SS..EExtended strand (participates in β ladder)trans-138.1160.4178.965.2-89.3000111.1G34 I39 Y44 L162G34-F42 PolarHBondContact N-O 2.89Å; G34-F42 WeakPolarHBondContact O-CD1 3.43Å; G34-F42 PolarHBondContact O-N 3.21Å; I39-F42 HydrophobicContact CD1-CD1 4.15Å; I39-F42 HydrophobicContact CD1-CE1 3.71Å; F42-Y44 HydrophobicContact CD2-CD1 4.09Å; F42-Y44 AromaticContact CE2-CD1 3.73Å; F42-Y44 HydrophobicContact CE2-CD1 3.73Å; F42-Y44 HydrophobicContact CE2-CE1 4.36Å; F42-Y44 HydrophobicContact CE2-CG 4.38Å; F42-L162 HydrophobicContact CE2-CD2 4.42Å; F42-L162 HydrophobicContact CZ-CD2 3.94Å
43R98.4Very high97.4Very high117 Ų11758.3 Ų58.344%0.44230%0.299SS..EExtended strand (participates in β ladder)trans-117.9140.4177.1-58.1-63-70.5-145.3-5.5109.9P31 G32 E33 A67P31-R43 HydrophobicContact CB-CB 4.05Å; P31-R43 VanDerWaalsContact O-CZ 3.32Å; P31-R43 PolarHBondContact O-NE 2.85Å; P31-R43 PolarHBondContact O-NH2 3.04Å; G32-R43 WeakPolarHBondContact O-CA 3.24Å; G32-R43 WeakPolarHBondContact O-CD 3.4Å; G32-R43 PolarHBondContact O-NE 2.93Å; G32-R43 VanDerWaalsContact O-NE 3.11Å; E33-R43 IonicContact OE2-NH1 3.65Å; R43-A67 HydrophobicContact CB-CB 3.95Å; R43-A67 PolarHBondContact O-N 3.44Å
44Y98.6Very high97.3Very high4 Ų455.4 Ų55.42%0.01629%0.292CS..EExtended strand (participates in β ladder)trans-143.5150-178.267.3-78.2000110.3P31 G32 F42 E46 A64 F65 L162 I164P31-Y44 CarbonylContact C-O 3.57Å; P31-Y44 WeakPolarHBondContact CA-O 3.34Å; G32-Y44 PolarHBondContact N-O 3.35Å; G32-Y44 PolarHBondContact O-N 2.86Å; F42-Y44 HydrophobicContact CD2-CD1 4.09Å; F42-Y44 AromaticContact CE2-CD1 3.73Å; F42-Y44 HydrophobicContact CE2-CD1 3.73Å; F42-Y44 HydrophobicContact CE2-CE1 4.36Å; F42-Y44 HydrophobicContact CE2-CG 4.38Å; Y44-E46 HydrophobicContact CD2-CB 4.15Å; Y44-E46 HydrophobicContact CE2-CB 4.09Å; Y44-A64 HydrophobicContact CD2-CB 3.95Å; Y44-F65 CarbonylContact C-O 3.57Å; Y44-F65 WeakPolarHBondContact CA-O 3.38Å; Y44-F65 VanDerWaalsContact CB-O 3.29Å; Y44-F65 WeakPolarHBondContact CB-O 3.4Å; Y44-L162 HydrophobicContact CE1-CD2 3.91Å; Y44-I164 HydrophobicContact CD2-CD1 4.09Å; Y44-I164 HydrophobicContact CE2-CD1 3.54Å; Y44-I164 WeakPolarHBondContact OH-CG2 3.25Å
45T98.8Very high97.2Very high37 Ų3761 Ų6123%0.22732%0.318CS..EExtended strand (participates in β ladder)trans-98.7158.5164.253.90000108.6S28 P31 A64 F65S28-T45 WeakPolarHBondContact OG-CA 3.39Å; S28-T45 WeakPolarHBondContact OG-CB 3.17Å; P31-T45 HydrophobicContact CG-CG2 4.33Å; T45-A64 CarbonylContact O-C 3.59Å; T45-A64 VanDerWaalsContact O-CA 3.29Å; T45-A64 WeakPolarHBondContact O-CA 3.25Å; T45-F65 PolarHBondContact N-O 2.74Å; T45-F65 PolarHBondContact O-N 2.99Å
46E98.7Very high97.3Very high10 Ų1061.7 Ų61.75%0.04732%0.323CS..EExtended strand (participates in β ladder)trans-149.3143.3-179.8-175.7174.9-12700111.7S28 Y44 L48 N63 A64 Q147 I164 Y166S28-E46 PolarHBondContact N-O 3.07Å; S28-E46 PolarHBondContact OG-N 3.19Å; S28-E46 VanDerWaalsContact OG-N 3.09Å; Y44-E46 HydrophobicContact CD2-CB 4.15Å; Y44-E46 HydrophobicContact CE2-CB 4.09Å; E46-L48 HydrophobicContact CG-CD2 3.72Å; E46-N63 WeakPolarHBondContact CA-O 3.44Å; E46-A64 HydrophobicContact CB-CB 4.48Å; E46-A64 HydrophobicContact CG-CB 4.42Å; E46-Q147 PolarHBondContact OE2-NE2 2.81Å; E46-I164 HydrophobicContact CB-CD1 3.82Å; E46-Y166 HydrophobicContact CB-CE1 4.01Å; E46-Y166 HydrophobicContact CG-CE1 4.22Å; E46-Y166 PolarHBondContact OE2-OH 2.97Å
47K98.7Very high97.4Very high87 Ų8761.9 Ų61.938%0.37833%0.325SS..EExtended strand (participates in β ladder)trans-117.2119.6174.3178.4165.5178.9143.70109.8T25 W26 E27 N63T25-K47 HydrophobicContact CG2-CD 4.35Å; T25-K47 VanDerWaalsContact CG2-CE 3.43Å; T25-K47 HydrophobicContact CG2-CG 4.15Å; W26-K47 CarbonylContact O-C 3.6Å; W26-K47 WeakPolarHBondContact O-CA 3.26Å; E27-K47 HydrophobicContact CG-CB 4.13Å; E27-K47 HydrophobicContact CG-CD 3.98Å; E27-K47 HydrophobicContact CG-CG 3.82Å; E27-K47 WeakPolarHBondContact OE1-CE 3.45Å; E27-K47 IonicContact OE1-NZ 2.71Å; E27-K47 PolarHBondContact OE1-NZ 2.96Å; K47-N63 PolarHBondContact N-O 2.94Å; K47-N63 PolarHBondContact O-N 2.9Å
48L98.8Very high97.6Very high0 Ų057.9 Ų57.90%030%0.299CS..EExtended strand (participates in β ladder)trans-100.2143.9172.8-37.2-179.6000109.4T25 W26 E46 F50 T61 F62 L145 Y166T25-L48 WeakPolarHBondContact CA-O 3.34Å; T25-L48 WeakPolarHBondContact CG2-O 3.44Å; W26-L48 HydrophobicContact CB-CB 4.09Å; W26-L48 HydrophobicContact CB-CD1 4.3Å; W26-L48 HydrophobicContact CB-CG 4.27Å; W26-L48 PolarHBondContact N-O 2.87Å; W26-L48 PolarHBondContact O-N 2.82Å; E46-L48 HydrophobicContact CG-CD2 3.72Å; L48-F50 HydrophobicContact CB-CD2 4.36Å; L48-F50 HydrophobicContact CB-CE2 3.72Å; L48-F50 HydrophobicContact CB-CZ 4.38Å; L48-F50 HydrophobicContact CD1-CE2 3.89Å; L48-F50 HydrophobicContact CD1-CZ 4.18Å; L48-F50 HydrophobicContact CG-CE2 4.49Å; L48-T61 CarbonylContact C-O 3.54Å; L48-T61 WeakPolarHBondContact CA-O 3.43Å; L48-F62 HydrophobicContact CB-CD1 3.69Å; L48-F62 HydrophobicContact CB-CE1 3.92Å; L48-F62 HydrophobicContact CD1-CD1 4.48Å; L48-F62 HydrophobicContact CD1-CE1 4.35Å; L48-F62 HydrophobicContact CD2-CB 3.66Å; L48-F62 HydrophobicContact CD2-CD1 3.33Å; L48-F62 HydrophobicContact CD2-CD2 3.97Å; L48-F62 HydrophobicContact CD2-CE1 3.98Å; L48-F62 HydrophobicContact CD2-CG 3.39Å; L48-F62 HydrophobicContact CG-CD1 4Å; L48-F62 HydrophobicContact CG-CE1 4.31Å; L48-F62 HydrophobicContact CG-CG 4.49Å; L48-L145 HydrophobicContact CD1-CD2 3.72Å; L48-Y166 HydrophobicContact CD1-CD1 4.22Å; L48-Y166 HydrophobicContact CD1-CD2 4.1Å; L48-Y166 HydrophobicContact CD1-CE1 3.87Å; L48-Y166 HydrophobicContact CD1-CE2 3.77Å; L48-Y166 HydrophobicContact CD1-CG 4.32Å; L48-Y166 HydrophobicContact CD2-CE1 3.85Å; L48-Y166 HydrophobicContact CG-CD1 4.09Å; L48-Y166 HydrophobicContact CG-CE1 3.7Å
49H98.8Very high97.9Very high71 Ų7155.9 Ų55.933%0.32929%0.285SS..EExtended strand (participates in β ladder)trans-135.5125.2170.1-177.469.1000109T25 F60 T61T25-H49 PolarHBondContact OG1-ND1 3.24Å; T25-H49 VanDerWaalsContact OG1-ND1 3.08Å; H49-F60 CarbonylContact O-C 3.49Å; H49-F60 WeakPolarHBondContact O-CA 3.38Å; H49-T61 PolarHBondContact N-O 3.3Å; H49-T61 PolarHBondContact O-N 3.07Å
50F98.8Very high98.1Very high3 Ų352.5 Ų52.51%0.01327%0.268CS..EExtended strand (participates in β ladder)trans-119.2126.3176.5-59.5-90.6000109.4L22 G24 W26 L48 I58 N59 F60 F62 I80 L145L22-F50 HydrophobicContact CB-CD1 4.2Å; L22-F50 HydrophobicContact CB-CD2 4.43Å; L22-F50 HydrophobicContact CB-CG 4.15Å; L22-F50 HydrophobicContact CD2-CE1 4.32Å; L22-F50 HydrophobicContact CD2-CE2 4.44Å; L22-F50 HydrophobicContact CD2-CZ 4.1Å; L22-F50 WeakPolarHBondContact O-CB 3.45Å; L22-F50 WeakPolarHBondContact O-CD2 3.5Å; L22-F50 WeakPolarHBondContact O-CG 3.38Å; G24-F50 PolarHBondContact N-O 3.38Å; G24-F50 PolarHBondContact O-N 3.2Å; W26-F50 AromaticContact CD1-CD2 3.66Å; W26-F50 AromaticContact CD1-CE2 3.75Å; W26-F50 AromaticContact NE1-CD2 3.88Å; L48-F50 HydrophobicContact CB-CD2 4.36Å; L48-F50 HydrophobicContact CB-CE2 3.72Å; L48-F50 HydrophobicContact CB-CZ 4.38Å; L48-F50 HydrophobicContact CD1-CE2 3.89Å; L48-F50 HydrophobicContact CD1-CZ 4.18Å; L48-F50 HydrophobicContact CG-CE2 4.49Å; F50-I58 HydrophobicContact CB-CG2 3.96Å; F50-I58 HydrophobicContact CD1-CG2 4.07Å; F50-N59 CarbonylContact C-O 3.59Å; F50-N59 WeakPolarHBondContact CA-O 3.37Å; F50-F60 HydrophobicContact CD1-CB 3.63Å; F50-F60 HydrophobicContact CE1-CB 3.87Å; F50-F60 HydrophobicContact CG-CB 4.45Å; F50-F62 HydrophobicContact CD1-CE1 4.38Å; F50-F62 AromaticContact CE1-CE1 3.52Å; F50-F62 HydrophobicContact CE1-CE1 3.52Å; F50-F62 AromaticContact CE1-CZ 3.61Å; F50-F62 HydrophobicContact CE1-CZ 3.61Å; F50-F62 AromaticContact CE2-CE1 3.95Å; F50-F62 HydrophobicContact CE2-CE1 3.95Å; F50-F62 HydrophobicContact CE2-CZ 4.48Å; F50-F62 HydrophobicContact CZ-CD1 4.49Å; F50-F62 AromaticContact CZ-CE1 3.27Å; F50-F62 HydrophobicContact CZ-CE1 3.27Å; F50-F62 AromaticContact CZ-CZ 3.45Å; F50-F62 HydrophobicContact CZ-CZ 3.45Å; F50-F62 VanDerWaalsContact CZ-CZ 3.45Å; F50-I80 HydrophobicContact CD1-CD1 3.87Å; F50-I80 HydrophobicContact CE1-CD1 3.78Å; F50-L145 HydrophobicContact CE2-CD2 4.33Å
51S98.5Very high98.3Very high38 Ų3846.2 Ų46.227%0.26625%0.245SC..EExtended strand (participates in β ladder)trans-138.9168.5-178.760.60000112I58 N59S51-I58 CarbonylContact O-C 3.58Å; S51-I58 WeakPolarHBondContact O-CA 3.49Å; S51-N59 PolarHBondContact N-O 2.98Å; S51-N59 PolarHBondContact O-N 3.06Å
52H98.3Very high98.3Very high49 Ų4941.6 Ų41.623%0.22722%0.216CC..  trans-141.8162.4172.368.195.2000110.3V10 L12 L16 G54V10-H52 PolarHBondContact O-CE1 3.37Å; V10-H52 VanDerWaalsContact O-CE1 3.28Å; L12-H52 HydrophobicContact CD1-CB 4.35Å; L16-H52 HydrophobicContact CD1-CB 4.44Å; H52-G54 PolarHBondContact ND1-N 3.4Å
53V97.3Very high98.4Very high83 Ų8339.4 Ų39.450%0.50321%0.207SC..  trans-125.224.6176.1-62.50000111.7Q55V53-Q55 VanDerWaalsContact C-N 3.27Å; V53-Q55 HydrophobicContact CG2-CB 4.43Å; V53-Q55 HydrophobicContact CG2-CG 4.22Å; V53-Q55 PolarHBondContact O-N 2.88Å
54G96.3Very high98.4Very high23 Ų2334 Ų3424%0.23719%0.188CC..SBendtrans85.6-9.4178.800000114.8E11 N13 H52E11-G54 WeakPolarHBondContact O-CA 3.34Å; N13-G54 WeakPolarHBondContact CB-O 3.46Å; N13-G54 PolarHBondContact ND2-O 2.98Å; H52-G54 PolarHBondContact ND1-N 3.4Å
55Q97.6Very high98.4Very high117 Ų11736.3 Ų36.355%0.54720%0.198SC..SBendtrans-71159.1168.4-68.3-176.914.700111.1L16 V53 V57L16-Q55 WeakPolarHBondContact CD1-O 3.36Å; V53-Q55 VanDerWaalsContact C-N 3.27Å; V53-Q55 HydrophobicContact CG2-CB 4.43Å; V53-Q55 HydrophobicContact CG2-CG 4.22Å; V53-Q55 PolarHBondContact O-N 2.88Å; Q55-V57 HydrophobicContact CB-CG1 3.77Å; Q55-V57 PolarHBondContact O-N 2.96Å
56P97.3Very high98.4Very high51 Ų5137.9 Ų37.933%0.33120%0.202SC..SBendtrans-76.751.1176.634.4-37.3000111.6I15I15-P56 HydrophobicContact CB-CB 4.41Å; I15-P56 HydrophobicContact CD1-CB 4.11Å; I15-P56 HydrophobicContact CG2-CB 4.42Å
57V98.3Very high98.3Very high16 Ų1639 Ų3910%0.09721%0.213CC..  trans-149.4140.6-179.267.80000110.1L16 Q55 F79 I80 R81L16-V57 WeakPolarHBondContact CD1-O 3.43Å; Q55-V57 HydrophobicContact CB-CG1 3.77Å; Q55-V57 PolarHBondContact O-N 2.96Å; V57-F79 HydrophobicContact CG2-CB 3.6Å; V57-F79 HydrophobicContact CG2-CD1 3.65Å; V57-F79 HydrophobicContact CG2-CG 3.96Å; V57-I80 WeakPolarHBondContact CA-O 3.46Å; V57-R81 HydrophobicContact CG2-CG 4.1Å
58I98.8Very high98.2Very high0 Ų043.3 Ų43.30%024%0.235CC..EExtended strand (participates in β ladder)trans-100.1130.4167.2-62.4172.2000107.6L16 L19 L23 F50 S51 F79 I80L16-I58 HydrophobicContact CD1-CG1 3.98Å; L16-I58 HydrophobicContact CD2-CG1 4.15Å; L19-I58 HydrophobicContact CB-CD1 3.66Å; L19-I58 HydrophobicContact CD1-CD1 4.24Å; L23-I58 HydrophobicContact CD2-CD1 4.18Å; L23-I58 HydrophobicContact CD2-CG1 4.1Å; L23-I58 HydrophobicContact CD2-CG2 4.18Å; F50-I58 HydrophobicContact CB-CG2 3.96Å; F50-I58 HydrophobicContact CD1-CG2 4.07Å; S51-I58 CarbonylContact O-C 3.58Å; S51-I58 WeakPolarHBondContact O-CA 3.49Å; I58-F79 CarbonylContact O-C 3.55Å; I58-F79 VanDerWaalsContact O-CA 3.26Å; I58-F79 WeakPolarHBondContact O-CA 3.43Å; I58-I80 HydrophobicContact CB-CB 4.12Å; I58-I80 HydrophobicContact CB-CD1 4.37Å; I58-I80 HydrophobicContact CB-CG1 4.47Å; I58-I80 HydrophobicContact CG2-CD1 4.16Å; I58-I80 PolarHBondContact N-O 2.92Å; I58-I80 PolarHBondContact O-N 2.8Å
59N98.8Very high98.1Very high39 Ų3946.1 Ų46.121%0.20926%0.255CS..EExtended strand (participates in β ladder)trans-84.8141.8168.9-50.6-35.9000108.3F50 S51 F79F50-N59 CarbonylContact C-O 3.59Å; F50-N59 WeakPolarHBondContact CA-O 3.37Å; S51-N59 PolarHBondContact N-O 2.98Å; S51-N59 PolarHBondContact O-N 3.06Å; N59-F79 VanDerWaalsContact OD1-CD1 3.32Å; N59-F79 WeakPolarHBondContact OD1-CD1 3.47Å; N59-F79 WeakPolarHBondContact OD1-CE1 3.35Å
60F98.9Very high98Very high4 Ų448 Ų482%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-137.1154.2172.278.2-90.6000113.8H49 F50 F62 E76 C77 G78 I80 F91 I93H49-F60 CarbonylContact O-C 3.49Å; H49-F60 WeakPolarHBondContact O-CA 3.38Å; F50-F60 HydrophobicContact CD1-CB 3.63Å; F50-F60 HydrophobicContact CE1-CB 3.87Å; F50-F60 HydrophobicContact CG-CB 4.45Å; F60-F62 HydrophobicContact CB-CE1 3.88Å; F60-F62 HydrophobicContact CB-CZ 4.39Å; F60-F62 AromaticContact CD2-CD1 3.7Å; F60-F62 HydrophobicContact CD2-CD1 3.7Å; F60-F62 HydrophobicContact CD2-CD2 4.23Å; F60-F62 AromaticContact CD2-CE1 3.38Å; F60-F62 HydrophobicContact CD2-CE1 3.38Å; F60-F62 AromaticContact CD2-CE2 3.96Å; F60-F62 HydrophobicContact CD2-CE2 3.96Å; F60-F62 HydrophobicContact CD2-CG 4.08Å; F60-F62 AromaticContact CD2-CZ 3.51Å; F60-F62 HydrophobicContact CD2-CZ 3.51Å; F60-F62 HydrophobicContact CE2-CD1 4.43Å; F60-F62 HydrophobicContact CE2-CD2 4.21Å; F60-F62 HydrophobicContact CE2-CE1 4.23Å; F60-F62 AromaticContact CE2-CE2 4Å; F60-F62 HydrophobicContact CE2-CE2 4Å; F60-F62 HydrophobicContact CE2-CG 4.38Å; F60-F62 AromaticContact CE2-CZ 3.99Å; F60-F62 HydrophobicContact CE2-CZ 3.99Å; F60-F62 AromaticContact CG-CE1 3.94Å; F60-F62 HydrophobicContact CG-CE1 3.94Å; F60-F62 HydrophobicContact CG-CZ 4.07Å; F60-E76 HydrophobicContact CE2-CG 4.28Å; F60-C77 VanDerWaalsContact O-CA 3.25Å; F60-C77 WeakPolarHBondContact O-CA 3.32Å; F60-C77 WeakPolarHBondContact O-CB 3.4Å; F60-G78 VanDerWaalsContact CD1-C 3.43Å; F60-G78 WeakPolarHBondContact CD1-O 3.3Å; F60-G78 PolarHBondContact N-O 2.92Å; F60-G78 PolarHBondContact O-N 3.1Å; F60-I80 HydrophobicContact CD1-CD1 4.37Å; F60-I80 HydrophobicContact CD1-CG1 3.89Å; F60-I80 HydrophobicContact CE1-CG1 4.37Å; F60-F91 AromaticContact CE1-CD1 3.97Å; F60-F91 HydrophobicContact CE1-CD1 3.97Å; F60-F91 HydrophobicContact CE1-CE1 4.33Å; F60-F91 HydrophobicContact CZ-CD1 4.13Å; F60-I93 HydrophobicContact CE1-CG1 4.29Å; F60-I93 HydrophobicContact CE2-CG2 4.14Å; F60-I93 HydrophobicContact CZ-CB 4.02Å; F60-I93 HydrophobicContact CZ-CD1 4.02Å; F60-I93 HydrophobicContact CZ-CG1 3.7Å; F60-I93 HydrophobicContact CZ-CG2 3.69Å
61T98.9Very high98Very high53 Ų5354.6 Ų54.633%0.32530%0.296SS..EExtended strand (participates in β ladder)trans-139.5128.7166.663.50000110L48 H49 E76 C77L48-T61 CarbonylContact C-O 3.54Å; L48-T61 WeakPolarHBondContact CA-O 3.43Å; H49-T61 PolarHBondContact N-O 3.3Å; H49-T61 PolarHBondContact O-N 3.07Å; T61-E76 CarbonylContact C-O 3.51Å; T61-E76 WeakPolarHBondContact CA-O 3.4Å; T61-C77 HydrophobicContact CG2-CB 3.9Å
62F98.8Very high97.9Very high0 Ų057 Ų570%031%0.31CS..EExtended strand (participates in β ladder)trans-115.4129.5173.3-52.1-17.2000109L48 F50 F60 R75 E76 F91L48-F62 HydrophobicContact CB-CD1 3.69Å; L48-F62 HydrophobicContact CB-CE1 3.92Å; L48-F62 HydrophobicContact CD1-CD1 4.48Å; L48-F62 HydrophobicContact CD1-CE1 4.35Å; L48-F62 HydrophobicContact CD2-CB 3.66Å; L48-F62 HydrophobicContact CD2-CD1 3.33Å; L48-F62 HydrophobicContact CD2-CD2 3.97Å; L48-F62 HydrophobicContact CD2-CE1 3.98Å; L48-F62 HydrophobicContact CD2-CG 3.39Å; L48-F62 HydrophobicContact CG-CD1 4Å; L48-F62 HydrophobicContact CG-CE1 4.31Å; L48-F62 HydrophobicContact CG-CG 4.49Å; F50-F62 HydrophobicContact CD1-CE1 4.38Å; F50-F62 AromaticContact CE1-CE1 3.52Å; F50-F62 HydrophobicContact CE1-CE1 3.52Å; F50-F62 AromaticContact CE1-CZ 3.61Å; F50-F62 HydrophobicContact CE1-CZ 3.61Å; F50-F62 AromaticContact CE2-CE1 3.95Å; F50-F62 HydrophobicContact CE2-CE1 3.95Å; F50-F62 HydrophobicContact CE2-CZ 4.48Å; F50-F62 HydrophobicContact CZ-CD1 4.49Å; F50-F62 AromaticContact CZ-CE1 3.27Å; F50-F62 HydrophobicContact CZ-CE1 3.27Å; F50-F62 AromaticContact CZ-CZ 3.45Å; F50-F62 HydrophobicContact CZ-CZ 3.45Å; F50-F62 VanDerWaalsContact CZ-CZ 3.45Å; F60-F62 HydrophobicContact CB-CE1 3.88Å; F60-F62 HydrophobicContact CB-CZ 4.39Å; F60-F62 AromaticContact CD2-CD1 3.7Å; F60-F62 HydrophobicContact CD2-CD1 3.7Å; F60-F62 HydrophobicContact CD2-CD2 4.23Å; F60-F62 AromaticContact CD2-CE1 3.38Å; F60-F62 HydrophobicContact CD2-CE1 3.38Å; F60-F62 AromaticContact CD2-CE2 3.96Å; F60-F62 HydrophobicContact CD2-CE2 3.96Å; F60-F62 HydrophobicContact CD2-CG 4.08Å; F60-F62 AromaticContact CD2-CZ 3.51Å; F60-F62 HydrophobicContact CD2-CZ 3.51Å; F60-F62 HydrophobicContact CE2-CD1 4.43Å; F60-F62 HydrophobicContact CE2-CD2 4.21Å; F60-F62 HydrophobicContact CE2-CE1 4.23Å; F60-F62 AromaticContact CE2-CE2 4Å; F60-F62 HydrophobicContact CE2-CE2 4Å; F60-F62 HydrophobicContact CE2-CG 4.38Å; F60-F62 AromaticContact CE2-CZ 3.99Å; F60-F62 HydrophobicContact CE2-CZ 3.99Å; F60-F62 AromaticContact CG-CE1 3.94Å; F60-F62 HydrophobicContact CG-CE1 3.94Å; F60-F62 HydrophobicContact CG-CZ 4.07Å; F62-R75 WeakPolarHBondContact O-CA 3.38Å; F62-E76 HydrophobicContact CB-CG 3.81Å; F62-E76 HydrophobicContact CD2-CG 3.87Å; F62-E76 WeakPolarHBondContact CD2-OE1 3.39Å; F62-E76 HydrophobicContact CG-CG 4.13Å; F62-E76 PolarHBondContact N-O 3.27Å; F62-E76 PolarHBondContact O-N 2.92Å; F62-F91 HydrophobicContact CZ-CE1 4.34Å
63N98.8Very high97.9Very high26 Ų2657.8 Ų57.814%0.13932%0.316CS..EExtended strand (participates in β ladder)trans-131.5109.3-175.2-59.9-63.7000109.7E46 K47 F65 R75E46-N63 WeakPolarHBondContact CA-O 3.44Å; K47-N63 PolarHBondContact N-O 2.94Å; K47-N63 PolarHBondContact O-N 2.9Å; N63-F65 HydrophobicContact CB-CE2 3.98Å; N63-F65 HydrophobicContact CB-CZ 4.31Å; N63-F65 WeakPolarHBondContact O-CD2 3.38Å; N63-F65 WeakPolarHBondContact O-CE2 3.01Å; N63-R75 PolarHBondContact OD1-NE 2.95Å; N63-R75 PolarHBondContact OD1-NH1 2.93Å; N63-R75 PolarHBondContact OD1-NH2 2.87Å
64A98.7Very high98Very high4 Ų456.6 Ų56.63%0.03330%0.304CS..EExtended strand (participates in β ladder)trans-92.3148.2178.100000111.8Y44 T45 E46 L73 H74Y44-A64 HydrophobicContact CD2-CB 3.95Å; T45-A64 CarbonylContact O-C 3.59Å; T45-A64 VanDerWaalsContact O-CA 3.29Å; T45-A64 WeakPolarHBondContact O-CA 3.25Å; E46-A64 HydrophobicContact CB-CB 4.48Å; E46-A64 HydrophobicContact CG-CB 4.42Å; A64-L73 HydrophobicContact CB-CB 4.23Å; A64-L73 PolarHBondContact O-N 2.85Å; A64-H74 HydrophobicContact CB-CB 4.36Å; A64-H74 WeakPolarHBondContact CB-O 3.49Å; A64-H74 PolarHBondContact N-O 3.06Å
65F98.6Very high98.1Very high51 Ų5160.5 Ų60.522%0.22431%0.312CS..EExtended strand (participates in β ladder)trans-135.1148.6177.4-56.6-95.6000109.8Y44 T45 N63 A67 K71 P72Y44-F65 CarbonylContact C-O 3.57Å; Y44-F65 WeakPolarHBondContact CA-O 3.38Å; Y44-F65 VanDerWaalsContact CB-O 3.29Å; Y44-F65 WeakPolarHBondContact CB-O 3.4Å; T45-F65 PolarHBondContact N-O 2.74Å; T45-F65 PolarHBondContact O-N 2.99Å; N63-F65 HydrophobicContact CB-CE2 3.98Å; N63-F65 HydrophobicContact CB-CZ 4.31Å; N63-F65 WeakPolarHBondContact O-CD2 3.38Å; N63-F65 WeakPolarHBondContact O-CE2 3.01Å; F65-A67 PolarHBondContact O-N 3.46Å; F65-K71 CarbonylContact C-O 3.6Å; F65-K71 WeakPolarHBondContact CA-O 3.48Å; F65-P72 HydrophobicContact CD1-CG 4.39Å; F65-P72 HydrophobicContact CE1-CG 4.31Å
66H98Very high98.2Very high70 Ų7055.5 Ų55.532%0.32429%0.289SS..EExtended strand (participates in β ladder)trans-63.7128.6173-176.5-65.8000109.6E68 S69 N70 K71 L73H66-E68 VanDerWaalsContact C-N 3.33Å; H66-E68 PolarHBondContact ND1-N 2.86Å; H66-E68 PolarHBondContact O-N 2.64Å; H66-S69 WeakPolarHBondContact CB-OG 3.42Å; H66-S69 VanDerWaalsContact CG-OG 3.32Å; H66-S69 PolarHBondContact ND1-N 3.43Å; H66-S69 PolarHBondContact ND1-OG 2.95Å; H66-N70 VanDerWaalsContact O-CA 3.3Å; H66-N70 WeakPolarHBondContact O-CA 3.27Å; H66-N70 PolarHBondContact O-N 3.17Å; H66-K71 HydrophobicContact CB-CB 4.4Å; H66-K71 PolarHBondContact N-O 3.02Å; H66-L73 HydrophobicContact CB-CD1 4.11Å; H66-L73 HydrophobicContact CB-CD2 4.37Å; H66-L73 HydrophobicContact CB-CG 4.23Å
67A97.5Very high98.2Very high34 Ų3455.9 Ų55.928%0.28129%0.292SS..THydrogen-bonded Turntrans-55.7-42.5-169.600000114P31 R43 F65P31-A67 HydrophobicContact CB-CB 3.83Å; P31-A67 HydrophobicContact CG-CB 3.88Å; R43-A67 HydrophobicContact CB-CB 3.95Å; R43-A67 PolarHBondContact O-N 3.44Å; F65-A67 PolarHBondContact O-N 3.46Å
68E96.2Very high98.3Very high178 Ų17855.8 Ų55.883%0.83229%0.294SS*.THydrogen-bonded Turntrans-87.6-48.8-178.2-60173.9-179.100113.8H66H66-E68 VanDerWaalsContact C-N 3.33Å; H66-E68 PolarHBondContact ND1-N 2.86Å; H66-E68 PolarHBondContact O-N 2.64Å
69S97.2Very high98.3Very high59 Ų5960.4 Ų60.441%0.41331%0.314SS..THydrogen-bonded Turntrans-86.8-8.2-172.265.80000114.4H66 K71H66-S69 WeakPolarHBondContact CB-OG 3.42Å; H66-S69 VanDerWaalsContact CG-OG 3.32Å; H66-S69 PolarHBondContact ND1-N 3.43Å; H66-S69 PolarHBondContact ND1-OG 2.95Å; S69-K71 PolarHBondContact O-N 2.87Å; S69-K71 WeakPolarHBondContact OG-CG 3.39Å
70N96.7Very high98.3Very high109 Ų10958.5 Ų58.558%0.58331%0.305SS*.  trans52.920-173.2-160.834000114.3H66H66-N70 VanDerWaalsContact O-CA 3.3Å; H66-N70 WeakPolarHBondContact O-CA 3.27Å; H66-N70 PolarHBondContact O-N 3.17Å
71K98Very high98.3Very high143 Ų14365.1 Ų65.162%0.62233%0.329SS*.  trans-68.6135.1175.3-73.4179.9179.3178.30109.3F65 H66 S69 L73F65-K71 CarbonylContact C-O 3.6Å; F65-K71 WeakPolarHBondContact CA-O 3.48Å; H66-K71 HydrophobicContact CB-CB 4.4Å; H66-K71 PolarHBondContact N-O 3.02Å; S69-K71 PolarHBondContact O-N 2.87Å; S69-K71 WeakPolarHBondContact OG-CG 3.39Å; K71-L73 PolarHBondContact O-N 3.07Å
72P98.1Very high98.3Very high88 Ų8863.2 Ų63.257%0.57132%0.317SS*.EExtended strand (participates in β ladder)trans-56.2137174.4-25.134.2000111.9F65F65-P72 HydrophobicContact CD1-CG 4.39Å; F65-P72 HydrophobicContact CE1-CG 4.31Å
73L98.1Very high98.2Very high65 Ų6568.3 Ų68.334%0.3434%0.341SS..EExtended strand (participates in β ladder)trans-115.9-125.5175.6-64.6-178.5000110.1A64 H66 K71 N96A64-L73 HydrophobicContact CB-CB 4.23Å; A64-L73 PolarHBondContact O-N 2.85Å; H66-L73 HydrophobicContact CB-CD1 4.11Å; H66-L73 HydrophobicContact CB-CD2 4.37Å; H66-L73 HydrophobicContact CB-CG 4.23Å; K71-L73 PolarHBondContact O-N 3.07Å; L73-N96 PolarHBondContact O-ND2 2.8Å; L73-N96 VanDerWaalsContact O-ND2 3.1Å
74H98.5Very high98.1Very high58 Ų5871.3 Ų71.327%0.26936%0.362SS..EExtended strand (participates in β ladder)trans-67.8146178.1-178.5-88.2000111.2A64 E76 Q95A64-H74 HydrophobicContact CB-CB 4.36Å; A64-H74 WeakPolarHBondContact CB-O 3.49Å; A64-H74 PolarHBondContact N-O 3.06Å; H74-E76 IonicContact CE1-OE2 2.86Å; H74-E76 PolarHBondContact CE1-OE2 2.9Å; H74-Q95 PolarHBondContact NE2-OE1 3.44Å
75R98.8Very high97.9Very high105 Ų10575.3 Ų75.340%0.39640%0.404SS..EExtended strand (participates in β ladder)trans-140.7136174-52.8177.573.785.5-4.8108.7F62 N63 Q95 N96F62-R75 WeakPolarHBondContact O-CA 3.38Å; N63-R75 PolarHBondContact OD1-NE 2.95Å; N63-R75 PolarHBondContact OD1-NH1 2.93Å; N63-R75 PolarHBondContact OD1-NH2 2.87Å; R75-Q95 CarbonylContact O-C 3.55Å; R75-Q95 WeakPolarHBondContact O-CA 3.32Å; R75-N96 HydrophobicContact CB-CB 4.12Å; R75-N96 PolarHBondContact N-OD1 2.87Å; R75-N96 PolarHBondContact O-N 3.09Å; R75-N96 PolarHBondContact O-OD1 3.21Å
76E98.8Very high97.9Very high12 Ų1275.5 Ų75.56%0.05641%0.409CS..EExtended strand (participates in β ladder)trans-140.6152.7172.760.8-178.5-170.100112.1F60 T61 F62 H74 I93 A94 Q95 R135F60-E76 HydrophobicContact CE2-CG 4.28Å; T61-E76 CarbonylContact C-O 3.51Å; T61-E76 WeakPolarHBondContact CA-O 3.4Å; F62-E76 HydrophobicContact CB-CG 3.81Å; F62-E76 HydrophobicContact CD2-CG 3.87Å; F62-E76 WeakPolarHBondContact CD2-OE1 3.39Å; F62-E76 HydrophobicContact CG-CG 4.13Å; F62-E76 PolarHBondContact N-O 3.27Å; F62-E76 PolarHBondContact O-N 2.92Å; H74-E76 IonicContact CE1-OE2 2.86Å; H74-E76 PolarHBondContact CE1-OE2 2.9Å; E76-I93 HydrophobicContact CB-CG2 3.69Å; E76-I93 HydrophobicContact CG-CG2 4.19Å; E76-A94 VanDerWaalsContact CA-O 3.27Å; E76-A94 WeakPolarHBondContact CA-O 3.36Å; E76-Q95 HydrophobicContact CB-CG 4.05Å; E76-R135 IonicContact OE1-CZ 3.33Å; E76-R135 VanDerWaalsContact OE1-CZ 3.28Å; E76-R135 IonicContact OE1-NH1 3.93Å; E76-R135 PolarHBondContact OE1-NH1 3.01Å; E76-R135 IonicContact OE1-NH2 3.54Å; E76-R135 PolarHBondContact OE1-NH2 2.93Å; E76-R135 IonicContact OE2-NH2 3.65Å; E76-R135 PolarHBondContact OE2-NH2 2.95Å
77C98.9Very high97.9Very high60 Ų6074.9 Ų74.941%0.40541%0.408SS..EExtended strand (participates in β ladder)trans-150.9163.4176650000111.2F60 T61 I93 A94F60-C77 VanDerWaalsContact O-CA 3.25Å; F60-C77 WeakPolarHBondContact O-CA 3.32Å; F60-C77 WeakPolarHBondContact O-CB 3.4Å; T61-C77 HydrophobicContact CG2-CB 3.9Å; C77-I93 WeakPolarHBondContact O-CA 3.25Å; C77-A94 PolarHBondContact N-O 3.35Å; C77-A94 PolarHBondContact O-N 3.35Å
78G98.8Very high97.9Very high14 Ų1478.6 Ų78.614%0.14442%0.418CS..EExtended strand (participates in β ladder)trans158.7-139173.800000112.8F60 I92F60-G78 VanDerWaalsContact CD1-C 3.43Å; F60-G78 WeakPolarHBondContact CD1-O 3.3Å; F60-G78 PolarHBondContact N-O 2.92Å; F60-G78 PolarHBondContact O-N 3.1Å; G78-I92 CarbonylContact C-O 3.58Å; G78-I92 VanDerWaalsContact CA-O 3.24Å; G78-I92 WeakPolarHBondContact CA-O 3.35Å
79F98.9Very high98Very high96 Ų9670.3 Ų70.342%0.42138%0.379SS..EExtended strand (participates in β ladder)trans-135.7146.5-167.1-58.3-73.1000112.9V57 I58 N59 F91 I92V57-F79 HydrophobicContact CG2-CB 3.6Å; V57-F79 HydrophobicContact CG2-CD1 3.65Å; V57-F79 HydrophobicContact CG2-CG 3.96Å; I58-F79 CarbonylContact O-C 3.55Å; I58-F79 VanDerWaalsContact O-CA 3.26Å; I58-F79 WeakPolarHBondContact O-CA 3.43Å; N59-F79 VanDerWaalsContact OD1-CD1 3.32Å; N59-F79 WeakPolarHBondContact OD1-CD1 3.47Å; N59-F79 WeakPolarHBondContact OD1-CE1 3.35Å; F79-F91 WeakPolarHBondContact O-CA 3.47Å; F79-I92 HydrophobicContact CB-CD1 4.35Å; F79-I92 PolarHBondContact N-O 2.99Å; F79-I92 PolarHBondContact O-N 2.91Å
80I98.8Very high98.1Very high0 Ų068.5 Ų68.50%037%0.368CS..EExtended strand (participates in β ladder)trans-116.9132.1171.3-46170.7000108.7L19 L22 F50 V57 I58 F60 V89 A90 F91L19-I80 HydrophobicContact CD1-CG2 3.93Å; L22-I80 HydrophobicContact CD1-CD1 3.94Å; F50-I80 HydrophobicContact CD1-CD1 3.87Å; F50-I80 HydrophobicContact CE1-CD1 3.78Å; V57-I80 WeakPolarHBondContact CA-O 3.46Å; I58-I80 HydrophobicContact CB-CB 4.12Å; I58-I80 HydrophobicContact CB-CD1 4.37Å; I58-I80 HydrophobicContact CB-CG1 4.47Å; I58-I80 HydrophobicContact CG2-CD1 4.16Å; I58-I80 PolarHBondContact N-O 2.92Å; I58-I80 PolarHBondContact O-N 2.8Å; F60-I80 HydrophobicContact CD1-CD1 4.37Å; F60-I80 HydrophobicContact CD1-CG1 3.89Å; F60-I80 HydrophobicContact CE1-CG1 4.37Å; I80-V89 HydrophobicContact CG2-CG1 3.59Å; I80-A90 CarbonylContact C-O 3.57Å; I80-A90 WeakPolarHBondContact CA-O 3.41Å; I80-F91 HydrophobicContact CB-CD2 4.15Å; I80-F91 HydrophobicContact CB-CE2 3.99Å; I80-F91 HydrophobicContact CD1-CD2 4.28Å; I80-F91 HydrophobicContact CD1-CE1 3.89Å; I80-F91 HydrophobicContact CD1-CE2 3.44Å; I80-F91 VanDerWaalsContact CD1-CE2 3.44Å; I80-F91 HydrophobicContact CD1-CZ 3.2Å; I80-F91 HydrophobicContact CG1-CD1 4.24Å; I80-F91 HydrophobicContact CG1-CD2 3.74Å; I80-F91 HydrophobicContact CG1-CE1 3.95Å; I80-F91 HydrophobicContact CG1-CE2 3.41Å; I80-F91 VanDerWaalsContact CG1-CE2 3.41Å; I80-F91 HydrophobicContact CG1-CG 4.15Å; I80-F91 HydrophobicContact CG1-CZ 3.53Å; I80-F91 HydrophobicContact CG2-CD2 3.68Å; I80-F91 HydrophobicContact CG2-CE2 3.44Å; I80-F91 VanDerWaalsContact CG2-CE2 3.44Å; I80-F91 HydrophobicContact CG2-CZ 4.37Å
81R98.7Very high98.2Very high143 Ų14363.3 Ų63.354%0.5434%0.341SS..EExtended strand (participates in β ladder)trans-126.8147.4176-58.8-175.771.6-175.50.6109.7V57 V89 A90 I92V57-R81 HydrophobicContact CG2-CG 4.1Å; R81-V89 CarbonylContact O-C 3.55Å; R81-V89 VanDerWaalsContact O-CA 3.3Å; R81-V89 WeakPolarHBondContact O-CA 3.18Å; R81-V89 WeakPolarHBondContact O-CG1 3.46Å; R81-A90 PolarHBondContact N-O 2.79Å; R81-A90 PolarHBondContact O-N 2.82Å; R81-I92 HydrophobicContact CG-CD1 4.5Å
82I98.5Very high98.3Very high13 Ų1359.8 Ų59.87%0.06733%0.328CS..EExtended strand (participates in β ladder)trans-119.7134.8170.1-173.8171000108.6I15 L16 P18 L19 P84 K88 V89 L107I15-I82 HydrophobicContact CG2-CG2 3.51Å; I15-I82 WeakPolarHBondContact O-CG2 3.44Å; L16-I82 HydrophobicContact CD2-CG2 4.22Å; P18-I82 HydrophobicContact CB-CD1 4.13Å; P18-I82 HydrophobicContact CG-CD1 4.25Å; L19-I82 HydrophobicContact CD1-CB 3.97Å; L19-I82 HydrophobicContact CD1-CG2 4.2Å; L19-I82 HydrophobicContact CG-CD1 4.45Å; I82-P84 WeakPolarHBondContact O-CD 3.29Å; I82-K88 WeakPolarHBondContact CA-O 3.35Å; I82-K88 WeakPolarHBondContact CG1-O 3.29Å; I82-V89 HydrophobicContact CB-CG2 4.17Å; I82-V89 HydrophobicContact CD1-CG2 4.18Å; I82-V89 HydrophobicContact CG1-CG2 3.96Å; I82-L107 HydrophobicContact CD1-CD2 4.37Å
83Q98Very high98.3Very high106 Ų10655.8 Ų55.850%0.49530%0.302SS..  trans-70.4126.1177176.7179.47.100109.2G85 T86 K88Q83-G85 PolarHBondContact O-N 2.96Å; Q83-T86 WeakPolarHBondContact CB-OG1 3.06Å; Q83-T86 HydrophobicContact CG-CG2 4.08Å; Q83-T86 PolarHBondContact O-N 2.88Å; Q83-T86 PolarHBondContact O-OG1 3.06Å; Q83-K88 HydrophobicContact CB-CB 4.25Å; Q83-K88 PolarHBondContact N-O 2.84Å
84P96.1Very high98.3Very high89 Ų8954.9 Ų54.958%0.57830%0.303SS*.THydrogen-bonded Turntrans-57.3134.3-178.4-2735.7000112.7I15 I82 T86I15-P84 HydrophobicContact CD1-CB 4.45Å; I15-P84 HydrophobicContact CD1-CG 3.93Å; I15-P84 HydrophobicContact CG1-CG 4.39Å; I15-P84 HydrophobicContact CG2-CG 4.41Å; I82-P84 WeakPolarHBondContact O-CD 3.29Å; P84-T86 VanDerWaalsContact C-N 3.26Å; P84-T86 PolarHBondContact O-N 2.85Å
85G95.3Very high98.3Very high89 Ų8953.6 Ų53.692%0.91830%0.297SS*.THydrogen-bonded Turntrans76.17178.500000115.1Q83Q83-G85 PolarHBondContact O-N 2.96Å
86T97.6Very high98.3Very high55 Ų5553 Ų5334%0.33730%0.302SS..SBendtrans-130.8178.9176.981.80000110.9Q83 P84 K88Q83-T86 WeakPolarHBondContact CB-OG1 3.06Å; Q83-T86 HydrophobicContact CG-CG2 4.08Å; Q83-T86 PolarHBondContact O-N 2.88Å; Q83-T86 PolarHBondContact O-OG1 3.06Å; P84-T86 VanDerWaalsContact C-N 3.26Å; P84-T86 PolarHBondContact O-N 2.85Å; T86-K88 WeakPolarHBondContact OG1-CB 3.3Å; T86-K88 PolarHBondContact OG1-N 3.46Å
87N97.8Very high98.3Very high57 Ų5755.4 Ų55.431%0.30532%0.32SS..SBendtrans-99.610.817069-26.9000112.7E106 L107N87-E106 PolarHBondContact ND2-OE2 2.8Å; N87-E106 VanDerWaalsContact ND2-OE2 3.14Å; N87-E106 CarbonylContact O-C 3.55Å; N87-E106 WeakPolarHBondContact O-CA 3.34Å; N87-L107 HydrophobicContact CB-CB 4.37Å; N87-L107 WeakPolarHBondContact CB-O 3.39Å; N87-L107 PolarHBondContact ND2-O 3.43Å; N87-L107 PolarHBondContact O-N 2.86Å
88K98.7Very high98.2Very high111 Ų11153.5 Ų53.548%0.48331%0.311SS..EExtended strand (participates in β ladder)trans-80.3127.7-176.2-61.7-170.7177.1-168.20111.1I82 Q83 T86 G105I82-K88 WeakPolarHBondContact CA-O 3.35Å; I82-K88 WeakPolarHBondContact CG1-O 3.29Å; Q83-K88 HydrophobicContact CB-CB 4.25Å; Q83-K88 PolarHBondContact N-O 2.84Å; T86-K88 WeakPolarHBondContact OG1-CB 3.3Å; T86-K88 PolarHBondContact OG1-N 3.46Å; K88-G105 CarbonylContact C-O 3.37Å; K88-G105 WeakPolarHBondContact CA-O 3.41Å
89V98.8Very high98.2Very high4 Ų453.3 Ų53.32%0.02431%0.306CS..EExtended strand (participates in β ladder)trans-124.1142.7-175.2178.20000109.8L19 I80 R81 I82 F91 E104 G105 L107 L112 L114L19-V89 HydrophobicContact CD1-CG1 4.44Å; L19-V89 HydrophobicContact CD1-CG2 4.41Å; L19-V89 HydrophobicContact CD2-CG2 4.28Å; I80-V89 HydrophobicContact CG2-CG1 3.59Å; R81-V89 CarbonylContact O-C 3.55Å; R81-V89 VanDerWaalsContact O-CA 3.3Å; R81-V89 WeakPolarHBondContact O-CA 3.18Å; R81-V89 WeakPolarHBondContact O-CG1 3.46Å; I82-V89 HydrophobicContact CB-CG2 4.17Å; I82-V89 HydrophobicContact CD1-CG2 4.18Å; I82-V89 HydrophobicContact CG1-CG2 3.96Å; V89-F91 HydrophobicContact CG1-CD2 4.33Å; V89-F91 HydrophobicContact CG1-CE2 4.38Å; V89-E104 WeakPolarHBondContact O-CA 3.34Å; V89-G105 PolarHBondContact N-O 3Å; V89-G105 PolarHBondContact O-N 2.87Å; V89-L107 HydrophobicContact CG2-CB 4.17Å; V89-L112 HydrophobicContact CB-CD2 4Å; V89-L112 HydrophobicContact CG1-CD2 4.04Å; V89-L112 HydrophobicContact CG2-CD2 3.7Å; V89-L114 HydrophobicContact CB-CD2 4.34Å; V89-L114 HydrophobicContact CG1-CD2 4.3Å
90A98.8Very high98.2Very high22 Ų2252.3 Ų52.318%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-125.3133174.800000110.7I80 R81 E103 E104I80-A90 CarbonylContact C-O 3.57Å; I80-A90 WeakPolarHBondContact CA-O 3.41Å; R81-A90 PolarHBondContact N-O 2.79Å; R81-A90 PolarHBondContact O-N 2.82Å; A90-E103 CarbonylContact C-O 3.6Å; A90-E103 VanDerWaalsContact CA-O 3.25Å; A90-E103 WeakPolarHBondContact CA-O 3.32Å; A90-E104 HydrophobicContact CB-CG 4.07Å
91F98.7Very high98.2Very high0 Ų052.5 Ų52.50%031%0.309CS..EExtended strand (participates in β ladder)trans-103.2135.6166.3-90.3-131000109.2F60 F62 F79 I80 V89 I93 I102 E103 L112 L114 L137F60-F91 AromaticContact CE1-CD1 3.97Å; F60-F91 HydrophobicContact CE1-CD1 3.97Å; F60-F91 HydrophobicContact CE1-CE1 4.33Å; F60-F91 HydrophobicContact CZ-CD1 4.13Å; F62-F91 HydrophobicContact CZ-CE1 4.34Å; F79-F91 WeakPolarHBondContact O-CA 3.47Å; I80-F91 HydrophobicContact CB-CD2 4.15Å; I80-F91 HydrophobicContact CB-CE2 3.99Å; I80-F91 HydrophobicContact CD1-CD2 4.28Å; I80-F91 HydrophobicContact CD1-CE1 3.89Å; I80-F91 HydrophobicContact CD1-CE2 3.44Å; I80-F91 VanDerWaalsContact CD1-CE2 3.44Å; I80-F91 HydrophobicContact CD1-CZ 3.2Å; I80-F91 HydrophobicContact CG1-CD1 4.24Å; I80-F91 HydrophobicContact CG1-CD2 3.74Å; I80-F91 HydrophobicContact CG1-CE1 3.95Å; I80-F91 HydrophobicContact CG1-CE2 3.41Å; I80-F91 VanDerWaalsContact CG1-CE2 3.41Å; I80-F91 HydrophobicContact CG1-CG 4.15Å; I80-F91 HydrophobicContact CG1-CZ 3.53Å; I80-F91 HydrophobicContact CG2-CD2 3.68Å; I80-F91 HydrophobicContact CG2-CE2 3.44Å; I80-F91 VanDerWaalsContact CG2-CE2 3.44Å; I80-F91 HydrophobicContact CG2-CZ 4.37Å; V89-F91 HydrophobicContact CG1-CD2 4.33Å; V89-F91 HydrophobicContact CG1-CE2 4.38Å; F91-I93 HydrophobicContact CB-CD1 3.88Å; F91-I93 HydrophobicContact CB-CG1 3.94Å; F91-I93 HydrophobicContact CD1-CD1 3.73Å; F91-I93 HydrophobicContact CD1-CG1 4.29Å; F91-I93 HydrophobicContact CG-CD1 4.31Å; F91-I102 WeakPolarHBondContact O-CA 2.97Å; F91-E103 HydrophobicContact CB-CB 4.22Å; F91-E103 PolarHBondContact N-O 2.81Å; F91-E103 PolarHBondContact O-N 2.84Å; F91-L112 HydrophobicContact CE2-CD1 4.15Å; F91-L114 HydrophobicContact CB-CD1 4.38Å; F91-L114 HydrophobicContact CD1-CD1 4.35Å; F91-L114 HydrophobicContact CD2-CD1 3.4Å; F91-L114 VanDerWaalsContact CD2-CD1 3.4Å; F91-L114 HydrophobicContact CD2-CD2 4.43Å; F91-L114 HydrophobicContact CE2-CD1 3.6Å; F91-L114 HydrophobicContact CG-CD1 3.81Å; F91-L114 HydrophobicContact CZ-CD1 4.16Å; F91-L137 HydrophobicContact CE1-CD1 4.26Å; F91-L137 HydrophobicContact CZ-CD1 3.73Å
92I98.8Very high98.2Very high68 Ų6848.9 Ų48.935%0.34930%0.3SS..EExtended strand (participates in β ladder)trans-122.6114.1176-57.8145.3000105.9G78 F79 R81G78-I92 CarbonylContact C-O 3.58Å; G78-I92 VanDerWaalsContact CA-O 3.24Å; G78-I92 WeakPolarHBondContact CA-O 3.35Å; F79-I92 HydrophobicContact CB-CD1 4.35Å; F79-I92 PolarHBondContact N-O 2.99Å; F79-I92 PolarHBondContact O-N 2.91Å; R81-I92 HydrophobicContact CG-CD1 4.5Å
93I98.9Very high98.2Very high5 Ų548.3 Ų48.33%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-132.2142-163.5-34.1-175.6000110.7F60 E76 C77 F91 Q95 V100 E101 E103F60-I93 HydrophobicContact CE1-CG1 4.29Å; F60-I93 HydrophobicContact CE2-CG2 4.14Å; F60-I93 HydrophobicContact CZ-CB 4.02Å; F60-I93 HydrophobicContact CZ-CD1 4.02Å; F60-I93 HydrophobicContact CZ-CG1 3.7Å; F60-I93 HydrophobicContact CZ-CG2 3.69Å; E76-I93 HydrophobicContact CB-CG2 3.69Å; E76-I93 HydrophobicContact CG-CG2 4.19Å; C77-I93 WeakPolarHBondContact O-CA 3.25Å; F91-I93 HydrophobicContact CB-CD1 3.88Å; F91-I93 HydrophobicContact CB-CG1 3.94Å; F91-I93 HydrophobicContact CD1-CD1 3.73Å; F91-I93 HydrophobicContact CD1-CG1 4.29Å; F91-I93 HydrophobicContact CG-CD1 4.31Å; I93-Q95 HydrophobicContact CG2-CG 4.45Å; I93-V100 VanDerWaalsContact O-CA 3.28Å; I93-V100 WeakPolarHBondContact O-CA 3.28Å; I93-E101 HydrophobicContact CB-CG 3.45Å; I93-E101 VanDerWaalsContact CB-CG 3.45Å; I93-E101 WeakPolarHBondContact CB-OE1 3.31Å; I93-E101 HydrophobicContact CD1-CG 3.95Å; I93-E101 VanDerWaalsContact CD1-OE1 3.32Å; I93-E101 WeakPolarHBondContact CD1-OE1 3.45Å; I93-E101 HydrophobicContact CG1-CG 3.75Å; I93-E101 HydrophobicContact CG2-CG 4.31Å; I93-E101 WeakPolarHBondContact CG2-OE1 3.35Å; I93-E101 PolarHBondContact N-O 3.38Å; I93-E101 PolarHBondContact O-N 3.31Å; I93-E103 HydrophobicContact CD1-CG 4.46Å; I93-E103 WeakPolarHBondContact CD1-OE1 3.36Å
94A98.9Very high98.3Very high45 Ų4548 Ų4837%0.37230%0.295SS..EExtended strand (participates in β ladder)trans-120.9131.8166.500000109.6E76 C77 V100E76-A94 VanDerWaalsContact CA-O 3.27Å; E76-A94 WeakPolarHBondContact CA-O 3.36Å; C77-A94 PolarHBondContact N-O 3.35Å; C77-A94 PolarHBondContact O-N 3.35Å; A94-V100 HydrophobicContact CB-CG1 4.12Å
95Q98.8Very high98.4Very high31 Ų3144.9 Ų44.915%0.14528%0.279CS..EExtended strand (participates in β ladder)trans-109.4147.9-178.6-54.2-172.99.500111.2H74 R75 E76 I93 S97 G98 L99 E101H74-Q95 PolarHBondContact NE2-OE1 3.44Å; R75-Q95 CarbonylContact O-C 3.55Å; R75-Q95 WeakPolarHBondContact O-CA 3.32Å; E76-Q95 HydrophobicContact CB-CG 4.05Å; I93-Q95 HydrophobicContact CG2-CG 4.45Å; Q95-S97 WeakPolarHBondContact CB-OG 3.41Å; Q95-S97 PolarHBondContact O-N 2.88Å; Q95-S97 VanDerWaalsContact O-N 3.07Å; Q95-S97 PolarHBondContact OE1-OG 3.32Å; Q95-G98 PolarHBondContact O-N 2.52Å; Q95-L99 HydrophobicContact CB-CB 4.4Å; Q95-L99 PolarHBondContact N-O 3.19Å; Q95-E101 PolarHBondContact NE2-OE1 2.79Å
96N98.4Very high98.6Very high93 Ų9345.3 Ų45.350%0.49726%0.257SS..THydrogen-bonded Turntrans-64.9-10.517769.5-27.9000114.4L73 R75 G98L73-N96 PolarHBondContact O-ND2 2.8Å; L73-N96 VanDerWaalsContact O-ND2 3.1Å; R75-N96 HydrophobicContact CB-CB 4.12Å; R75-N96 PolarHBondContact N-OD1 2.87Å; R75-N96 PolarHBondContact O-N 3.09Å; R75-N96 PolarHBondContact O-OD1 3.21Å; N96-G98 PolarHBondContact O-N 2.95Å
97S97.7Very high98.6Very high62 Ų6243.5 Ų43.543%0.43425%0.245SC..THydrogen-bonded Turntrans-74.2-11.1171.559.90000113.7Q95Q95-S97 WeakPolarHBondContact CB-OG 3.41Å; Q95-S97 PolarHBondContact O-N 2.88Å; Q95-S97 VanDerWaalsContact O-N 3.07Å; Q95-S97 PolarHBondContact OE1-OG 3.32Å
98G98.2Very high98.6Very high20 Ų2045.3 Ų45.321%0.20626%0.259CS..SBendtrans86.619.6-173.400000114.1Q95 N96 R121 I122Q95-G98 PolarHBondContact O-N 2.52Å; N96-G98 PolarHBondContact O-N 2.95Å; G98-R121 WeakPolarHBondContact O-CA 3.34Å; G98-I122 PolarHBondContact O-N 3.33Å
99L98.6Very high98.6Very high10 Ų1042.9 Ų42.95%0.05227%0.265CS..EExtended strand (participates in β ladder)trans-98.3138170.8-171.772.4000109.9Q95 L119 G120 R121 V130 I133Q95-L99 HydrophobicContact CB-CB 4.4Å; Q95-L99 PolarHBondContact N-O 3.19Å; L99-L119 HydrophobicContact CD1-CB 4.41Å; L99-G120 CarbonylContact C-O 3.49Å; L99-G120 WeakPolarHBondContact CA-O 3.45Å; L99-G120 WeakPolarHBondContact CD1-O 3.34Å; L99-R121 HydrophobicContact CD1-CB 4.13Å; L99-V130 HydrophobicContact CD2-CB 4.15Å; L99-V130 HydrophobicContact CD2-CG1 4.41Å; L99-V130 HydrophobicContact CD2-CG2 4.33Å; L99-I133 HydrophobicContact CD2-CD1 4Å
100V98.8Very high98.5Very high75 Ų7546 Ų4646%0.45528%0.281SS..EExtended strand (participates in β ladder)trans-119.2145.3165.6-63.30000109.3I93 A94 L119 G120I93-V100 VanDerWaalsContact O-CA 3.28Å; I93-V100 WeakPolarHBondContact O-CA 3.28Å; A94-V100 HydrophobicContact CB-CG1 4.12Å; V100-L119 CarbonylContact O-C 3.57Å; V100-L119 WeakPolarHBondContact O-CA 3.49Å; V100-G120 WeakPolarHBondContact CG2-O 3.42Å; V100-G120 PolarHBondContact N-O 2.97Å; V100-G120 PolarHBondContact O-N 2.76Å
101E98.7Very high98.5Very high4 Ų447.4 Ų47.42%0.01928%0.284CS..EExtended strand (participates in β ladder)trans-143146.8-173.558.2-169.3158.800111.6I93 Q95 S118 L119 I133 R135I93-E101 HydrophobicContact CB-CG 3.45Å; I93-E101 VanDerWaalsContact CB-CG 3.45Å; I93-E101 WeakPolarHBondContact CB-OE1 3.31Å; I93-E101 HydrophobicContact CD1-CG 3.95Å; I93-E101 VanDerWaalsContact CD1-OE1 3.32Å; I93-E101 WeakPolarHBondContact CD1-OE1 3.45Å; I93-E101 HydrophobicContact CG1-CG 3.75Å; I93-E101 HydrophobicContact CG2-CG 4.31Å; I93-E101 WeakPolarHBondContact CG2-OE1 3.35Å; I93-E101 PolarHBondContact N-O 3.38Å; I93-E101 PolarHBondContact O-N 3.31Å; Q95-E101 PolarHBondContact NE2-OE1 2.79Å; E101-S118 WeakPolarHBondContact CA-O 3.46Å; E101-L119 HydrophobicContact CB-CD2 3.49Å; E101-L119 VanDerWaalsContact CB-CD2 3.49Å; E101-I133 WeakPolarHBondContact OE2-CD1 3.47Å; E101-R135 IonicContact OE1-NH2 3.43Å
102I98.9Very high98.5Very high68 Ų6847.4 Ų47.435%0.34928%0.284SS..EExtended strand (participates in β ladder)trans-116115.7164.7-60174.7000105.8F91 E104 S116 Q117 S118F91-I102 WeakPolarHBondContact O-CA 2.97Å; I102-E104 HydrophobicContact CG2-CG 4.34Å; I102-S116 CarbonylContact O-C 3.55Å; I102-S116 WeakPolarHBondContact O-CA 3.47Å; I102-Q117 PolarHBondContact O-N 2.84Å; I102-S118 PolarHBondContact N-O 2.92Å; I102-S118 PolarHBondContact O-N 2.98Å
103E98.9Very high98.5Very high0 Ų049.9 Ų49.90%029%0.292CS..EExtended strand (participates in β ladder)trans-108.4135172.6-49.7-178.2-146.500109.6A90 F91 I93 L114 Q115 R135A90-E103 CarbonylContact C-O 3.6Å; A90-E103 VanDerWaalsContact CA-O 3.25Å; A90-E103 WeakPolarHBondContact CA-O 3.32Å; F91-E103 HydrophobicContact CB-CB 4.22Å; F91-E103 PolarHBondContact N-O 2.81Å; F91-E103 PolarHBondContact O-N 2.84Å; I93-E103 HydrophobicContact CD1-CG 4.46Å; I93-E103 WeakPolarHBondContact CD1-OE1 3.36Å; E103-L114 HydrophobicContact CB-CB 4Å; E103-L114 WeakPolarHBondContact OE2-CB 3.31Å; E103-Q115 WeakPolarHBondContact CA-O 3.41Å; E103-R135 IonicContact OE1-CZ 2.78Å; E103-R135 IonicContact OE1-NE 3.53Å; E103-R135 PolarHBondContact OE1-NE 3.17Å; E103-R135 IonicContact OE1-NH2 3.74Å; E103-R135 PolarHBondContact OE1-NH2 3.12Å; E103-R135 WeakPolarHBondContact OE2-CB 3.49Å; E103-R135 IonicContact OE2-NE 3.19Å
104E98.9Very high98.5Very high99 Ų9950 Ų5046%0.46329%0.294SS..EExtended strand (participates in β ladder)trans-127.4153.2176.2-65-174-154.100110.9V89 A90 I102 Q115 Q117V89-E104 WeakPolarHBondContact O-CA 3.34Å; A90-E104 HydrophobicContact CB-CG 4.07Å; I102-E104 HydrophobicContact CG2-CG 4.34Å; E104-Q115 PolarHBondContact N-O 2.97Å; E104-Q115 PolarHBondContact O-N 3.23Å; E104-Q117 HydrophobicContact CB-CG 3.76Å; E104-Q117 HydrophobicContact CG-CG 3.84Å
105G98.7Very high98.5Very high24 Ų2451.3 Ų51.325%0.24729%0.292CS..EExtended strand (participates in β ladder)trans173.8-148.1175.700000112.3K88 V89 K113K88-G105 CarbonylContact C-O 3.37Å; K88-G105 WeakPolarHBondContact CA-O 3.41Å; V89-G105 PolarHBondContact N-O 3Å; V89-G105 PolarHBondContact O-N 2.87Å; G105-K113 CarbonylContact C-O 3.6Å; G105-K113 VanDerWaalsContact CA-O 3.27Å; G105-K113 WeakPolarHBondContact CA-O 3.43Å
106E98.6Very high98.5Very high98 Ų9850.6 Ų50.646%0.45829%0.29SS..EExtended strand (participates in β ladder)trans-131.8144.5-166.5-67.6-170.8-17000113.5N87 K113N87-E106 PolarHBondContact ND2-OE2 2.8Å; N87-E106 VanDerWaalsContact ND2-OE2 3.14Å; N87-E106 CarbonylContact O-C 3.55Å; N87-E106 WeakPolarHBondContact O-CA 3.34Å; E106-K113 PolarHBondContact N-O 3.45Å; E106-K113 PolarHBondContact O-N 3.5Å; E106-K113 VanDerWaalsContact O-N 3.12Å
107L98.7Very high98.5Very high17 Ų1751.4 Ų51.49%0.08929%0.291CS..EExtended strand (participates in β ladder)trans-90.1124.2168.3179.968.5000109.9P18 L19 W21 I82 N87 V89 G109 Q111 L112P18-L107 HydrophobicContact CB-CD2 3.51Å; L19-L107 HydrophobicContact CD2-CD1 4.14Å; L19-L107 HydrophobicContact CD2-CD2 3.98Å; W21-L107 HydrophobicContact CZ2-CD1 4.07Å; I82-L107 HydrophobicContact CD1-CD2 4.37Å; N87-L107 HydrophobicContact CB-CB 4.37Å; N87-L107 WeakPolarHBondContact CB-O 3.39Å; N87-L107 PolarHBondContact ND2-O 3.43Å; N87-L107 PolarHBondContact O-N 2.86Å; V89-L107 HydrophobicContact CG2-CB 4.17Å; L107-G109 WeakPolarHBondContact CD1-O 3.03Å; L107-Q111 CarbonylContact C-O 3.57Å; L107-Q111 WeakPolarHBondContact CA-O 3.36Å; L107-L112 HydrophobicContact CB-CD2 3.74Å; L107-L112 HydrophobicContact CD1-CD2 3.6Å; L107-L112 HydrophobicContact CD1-CG 4.03Å; L107-L112 HydrophobicContact CG-CD2 4.24Å
108T98.4Very high98.6Very high96 Ų9651.7 Ų51.759%0.58929%0.293SS*.EExtended strand (participates in β ladder)trans-128.2110170.5-59.70000108.9N110 Q111T108-N110 PolarHBondContact O-N 2.65Å; T108-Q111 PolarHBondContact N-O 2.8Å; T108-Q111 VanDerWaalsContact O-CB 3.31Å; T108-Q111 WeakPolarHBondContact O-CB 2.94Å; T108-Q111 PolarHBondContact O-N 3.01Å
109G97.1Very high98.6Very high59 Ų5952.7 Ų52.761%0.60829%0.293SS*.THydrogen-bonded Turntrans59.7-122.1-171.100000110.8L107L107-G109 WeakPolarHBondContact CD1-O 3.03Å
110N98.3Very high98.6Very high69 Ų6953.5 Ų53.537%0.36930%0.304SS..THydrogen-bonded Turntrans-104.129.1173.1-59.884000113W21 T108 Q138 L139W21-N110 VanDerWaalsContact CD1-ND2 3.25Å; W21-N110 HydrophobicContact CD2-CB 4.36Å; W21-N110 VanDerWaalsContact CG-ND2 3.32Å; W21-N110 WeakPolarHBondContact CH2-O 3.32Å; W21-N110 WeakPolarHBondContact CZ2-O 3.33Å; T108-N110 PolarHBondContact O-N 2.65Å; N110-Q138 WeakPolarHBondContact O-CA 3.33Å; N110-Q138 PolarHBondContact O-NE2 2.68Å; N110-L139 HydrophobicContact CB-CB 3.75Å; N110-L139 PolarHBondContact O-N 2.85Å
111Q98.8Very high98.6Very high53 Ų5354.3 Ų54.325%0.24830%0.299CS..EExtended strand (participates in β ladder)trans-112.8126.7175-160.7169.677.700110.7L107 T108 K113 V136 L137 Q138L107-Q111 CarbonylContact C-O 3.57Å; L107-Q111 WeakPolarHBondContact CA-O 3.36Å; T108-Q111 PolarHBondContact N-O 2.8Å; T108-Q111 VanDerWaalsContact O-CB 3.31Å; T108-Q111 WeakPolarHBondContact O-CB 2.94Å; T108-Q111 PolarHBondContact O-N 3.01Å; Q111-K113 HydrophobicContact CG-CG 4.32Å; Q111-V136 HydrophobicContact CG-CG1 4.02Å; Q111-L137 CarbonylContact C-O 3.59Å; Q111-L137 WeakPolarHBondContact CA-O 3.24Å; Q111-Q138 VanDerWaalsContact CD-OE1 3.23Å; Q111-Q138 HydrophobicContact CG-CB 4.45Å
112L98.6Very high98.6Very high0 Ų057.3 Ų57.30%032%0.315CS..EExtended strand (participates in β ladder)trans-102.7128163.7-69.2172.8000109.1L19 W21 L22 V89 F91 L107 V136 L137L19-L112 HydrophobicContact CD2-CD1 4.1Å; L19-L112 HydrophobicContact CD2-CD2 3.93Å; L19-L112 HydrophobicContact CD2-CG 4.4Å; W21-L112 HydrophobicContact CH2-CD1 4.34Å; W21-L112 HydrophobicContact CH2-CG 4.31Å; W21-L112 HydrophobicContact CZ2-CD1 4.17Å; W21-L112 HydrophobicContact CZ2-CG 3.97Å; L22-L112 HydrophobicContact CD1-CD1 3.85Å; V89-L112 HydrophobicContact CB-CD2 4Å; V89-L112 HydrophobicContact CG1-CD2 4.04Å; V89-L112 HydrophobicContact CG2-CD2 3.7Å; F91-L112 HydrophobicContact CE2-CD1 4.15Å; L107-L112 HydrophobicContact CB-CD2 3.74Å; L107-L112 HydrophobicContact CD1-CD2 3.6Å; L107-L112 HydrophobicContact CD1-CG 4.03Å; L107-L112 HydrophobicContact CG-CD2 4.24Å; L112-V136 CarbonylContact O-C 3.59Å; L112-V136 VanDerWaalsContact O-CA 3.24Å; L112-V136 WeakPolarHBondContact O-CA 3.38Å; L112-L137 HydrophobicContact CB-CB 4.32Å; L112-L137 HydrophobicContact CD1-CD1 4.48Å; L112-L137 PolarHBondContact N-O 3.48Å; L112-L137 PolarHBondContact O-N 3.11Å
113K98.8Very high98.6Very high119 Ų11960 Ų6052%0.51734%0.339SS..EExtended strand (participates in β ladder)trans-117.4125.7165.7-59.9-167-170.7-178.30108.7G105 E106 Q111 R135 V136G105-K113 CarbonylContact C-O 3.6Å; G105-K113 VanDerWaalsContact CA-O 3.27Å; G105-K113 WeakPolarHBondContact CA-O 3.43Å; E106-K113 PolarHBondContact N-O 3.45Å; E106-K113 PolarHBondContact O-N 3.5Å; E106-K113 VanDerWaalsContact O-N 3.12Å; Q111-K113 HydrophobicContact CG-CG 4.32Å; K113-R135 WeakPolarHBondContact CA-O 3.31Å; K113-V136 HydrophobicContact CG-CG1 4.36Å; K113-V136 HydrophobicContact CG-CG2 4.13Å
114L98.8Very high98.5Very high9 Ų968 Ų685%0.04737%0.374CS..EExtended strand (participates in β ladder)trans-130.7149.1-173.2-59.1161.3000109.8V89 F91 E103 G134 R135V89-L114 HydrophobicContact CB-CD2 4.34Å; V89-L114 HydrophobicContact CG1-CD2 4.3Å; F91-L114 HydrophobicContact CB-CD1 4.38Å; F91-L114 HydrophobicContact CD1-CD1 4.35Å; F91-L114 HydrophobicContact CD2-CD1 3.4Å; F91-L114 VanDerWaalsContact CD2-CD1 3.4Å; F91-L114 HydrophobicContact CD2-CD2 4.43Å; F91-L114 HydrophobicContact CE2-CD1 3.6Å; F91-L114 HydrophobicContact CG-CD1 3.81Å; F91-L114 HydrophobicContact CZ-CD1 4.16Å; E103-L114 HydrophobicContact CB-CB 4Å; E103-L114 WeakPolarHBondContact OE2-CB 3.31Å; L114-G134 CarbonylContact O-C 3.59Å; L114-G134 WeakPolarHBondContact O-CA 3.21Å; L114-R135 HydrophobicContact CB-CB 4.31Å; L114-R135 PolarHBondContact N-O 2.85Å; L114-R135 PolarHBondContact O-N 3.03Å
115Q98.8Very high98.4Very high72 Ų7264.2 Ų64.234%0.33636%0.36SS..EExtended strand (participates in β ladder)trans-135.9136.7174.3-170.590.629.100109E103 E104 Q117E103-Q115 WeakPolarHBondContact CA-O 3.41Å; E104-Q115 PolarHBondContact N-O 2.97Å; E104-Q115 PolarHBondContact O-N 3.23Å; Q115-Q117 PolarHBondContact O-N 3.32Å; Q115-Q117 PolarHBondContact O-NE2 2.92Å
116S98.8Very high98.2Very high15 Ų1572.1 Ų72.111%0.10539%0.388CS..EExtended strand (participates in β ladder)trans-57.4124.1175.263.50000111.4I102 Q132 I133I102-S116 CarbonylContact O-C 3.55Å; I102-S116 WeakPolarHBondContact O-CA 3.47Å; S116-Q132 WeakPolarHBondContact OG-CA 3.44Å; S116-I133 PolarHBondContact N-O 2.73Å; S116-I133 PolarHBondContact OG-N 3.2Å; S116-I133 PolarHBondContact OG-O 3.26Å
117Q98.6Very high98Very high111 Ų11174.4 Ų74.452%0.51940%0.399SS..EExtended strand (participates in β ladder)trans-98.7-26.5171.6-59-53.4-47.400112I102 E104 Q115I102-Q117 PolarHBondContact O-N 2.84Å; E104-Q117 HydrophobicContact CB-CG 3.76Å; E104-Q117 HydrophobicContact CG-CG 3.84Å; Q115-Q117 PolarHBondContact O-N 3.32Å; Q115-Q117 PolarHBondContact O-NE2 2.92Å
118S98.6Very high97.9Very high67 Ų6776.4 Ų76.447%0.46941%0.412SS..EExtended strand (participates in β ladder)trans-149.4138.9178.6-67.10000110.5E101 I102E101-S118 WeakPolarHBondContact CA-O 3.46Å; I102-S118 PolarHBondContact N-O 2.92Å; I102-S118 PolarHBondContact O-N 2.98Å
119L98.7Very high97.8Very high41 Ų4174 Ų7422%0.21539%0.394CS..EExtended strand (participates in β ladder)trans-128.1130.3174.4-61.8178.7000108.6L99 V100 E101 V130 Q131L99-L119 HydrophobicContact CD1-CB 4.41Å; V100-L119 CarbonylContact O-C 3.57Å; V100-L119 WeakPolarHBondContact O-CA 3.49Å; E101-L119 HydrophobicContact CB-CD2 3.49Å; E101-L119 VanDerWaalsContact CB-CD2 3.49Å; L119-V130 HydrophobicContact CD1-CG1 4.15Å; L119-Q131 VanDerWaalsContact CD1-C 3.44Å; L119-Q131 WeakPolarHBondContact CD1-O 3.28Å
120G98.6Very high97.9Very high28 Ų2872.4 Ų72.429%0.28937%0.373SS..EExtended strand (participates in β ladder)trans-121.3145.317100000109.7L99 V100L99-G120 CarbonylContact C-O 3.49Å; L99-G120 WeakPolarHBondContact CA-O 3.45Å; L99-G120 WeakPolarHBondContact CD1-O 3.34Å; V100-G120 WeakPolarHBondContact CG2-O 3.42Å; V100-G120 PolarHBondContact N-O 2.97Å; V100-G120 PolarHBondContact O-N 2.76Å
121R98.5Very high97.9Very high91 Ų9173 Ų7334%0.34337%0.373SS..EExtended strand (participates in β ladder)trans-140.6150.9-179.667.1-17366.777.6-4.1111.9G98 L99 A125 V130G98-R121 WeakPolarHBondContact O-CA 3.34Å; L99-R121 HydrophobicContact CD1-CB 4.13Å; R121-A125 HydrophobicContact CB-CB 4.22Å; R121-V130 PolarHBondContact NH2-O 3.41Å
122I98.6Very high97.9Very high68 Ų6874.9 Ų74.935%0.34938%0.382SS..  trans-63.8153.717062.7175.9000110.9G98 F124 A125G98-I122 PolarHBondContact O-N 3.33Å; I122-F124 HydrophobicContact CD1-CD2 3.84Å; I122-F124 HydrophobicContact CD1-CE1 4.28Å; I122-F124 HydrophobicContact CD1-CE2 3.51Å; I122-F124 HydrophobicContact CD1-CG 4.37Å; I122-F124 HydrophobicContact CD1-CZ 3.75Å; I122-F124 PolarHBondContact O-N 3.34Å; I122-F124 VanDerWaalsContact O-N 3.16Å; I122-A125 HydrophobicContact CG1-CB 3.92Å; I122-A125 WeakPolarHBondContact O-CB 3.21Å; I122-A125 PolarHBondContact O-N 2.85Å
123S98.1Very high97.9Very high124 Ų12475.2 Ų75.287%0.86738%0.384SS*.THydrogen-bonded Turntrans-65.4-19.3-174.355.60000114.8
124F97.2Very high97.9Very high167 Ų16769.9 Ų69.973%0.73236%0.363SS*.THydrogen-bonded Turntrans-11624.8-18057-89.1000112.3I122I122-F124 HydrophobicContact CD1-CD2 3.84Å; I122-F124 HydrophobicContact CD1-CE1 4.28Å; I122-F124 HydrophobicContact CD1-CE2 3.51Å; I122-F124 HydrophobicContact CD1-CG 4.37Å; I122-F124 HydrophobicContact CD1-CZ 3.75Å; I122-F124 PolarHBondContact O-N 3.34Å; I122-F124 VanDerWaalsContact O-N 3.16Å
125A96.8Very high97.9Very high21 Ų2169.7 Ų69.717%0.17436%0.362CS..PPolyproline II helixtrans-59.7142.5171.100000109.6R121 I122 H129R121-A125 HydrophobicContact CB-CB 4.22Å; I122-A125 HydrophobicContact CG1-CB 3.92Å; I122-A125 WeakPolarHBondContact O-CB 3.21Å; I122-A125 PolarHBondContact O-N 2.85Å; A125-H129 PolarHBondContact O-CE1 2.76Å
126K94.6Very high97.9Very high190 Ų19068.5 Ų68.583%0.82636%0.359SS*.PPolyproline II helixtrans-70.3142-178.3-168.3-176.2170.9-176.90110.8H129K126-H129 PolarHBondContact O-ND1 2.9Å
127E95.1Very high97.9Very high146 Ų14667.8 Ų67.868%0.68235%0.354SS*.SBendtrans-80.6154.2168.3-73.1-179-175.200112.1
128P96Very high97.9Very high58 Ų5864.7 Ų64.738%0.37734%0.34SS..SBendcis-72.5148.7-2.532.3-36.4000111.7T153P128-T153 HydrophobicContact CG-CG2 4.33Å
129H97.2Very high97.9Very high46 Ų4663.1 Ų63.121%0.21333%0.326CS..PPolyproline II helixtrans-81.4139.4-179.2-62.6-35.3000111.2A125 K126 Q131 T153 D154A125-H129 PolarHBondContact O-CE1 2.76Å; K126-H129 PolarHBondContact O-ND1 2.9Å; H129-Q131 PolarHBondContact O-N 2.84Å; H129-T153 CarbonylContact O-C 3.57Å; H129-T153 WeakPolarHBondContact O-CA 2.92Å; H129-T153 WeakPolarHBondContact O-CB 3.39Å; H129-D154 WeakPolarHBondContact CB-OD2 3.46Å; H129-D154 IonicContact CG-OD2 2.65Å; H129-D154 PolarHBondContact N-OD2 3.19Å; H129-D154 PolarHBondContact O-N 2.94Å
130V97.9Very high97.9Very high25 Ų2565.1 Ų65.115%0.15233%0.331CS..EExtended strand (participates in β ladder)trans-67.4128.7170.8-177.30000109.4L99 L119 R121 I133 M151 A152L99-V130 HydrophobicContact CD2-CB 4.15Å; L99-V130 HydrophobicContact CD2-CG1 4.41Å; L99-V130 HydrophobicContact CD2-CG2 4.33Å; L119-V130 HydrophobicContact CD1-CG1 4.15Å; R121-V130 PolarHBondContact NH2-O 3.41Å; V130-I133 HydrophobicContact CG1-CD1 3.77Å; V130-I133 HydrophobicContact CG1-CG1 3.6Å; V130-M151 HydrophobicContact CG1-CG 3.82Å; V130-M151 HydrophobicContact CG1-SD 4.32Å; V130-M151 HydrophobicContact CG2-CG 4.14Å; V130-M151 HydrophobicContact CG2-SD 3.56Å; V130-M151 VanDerWaalsContact CG2-SD 3.56Å; V130-A152 WeakPolarHBondContact CA-O 3.42Å
131Q98.4Very high97.8Very high82 Ų8270.6 Ų70.638%0.38336%0.361SS..EExtended strand (participates in β ladder)trans-109.3-29.7-179-64.9-55.9-32.100112.6L119 H129 A152 D154L119-Q131 VanDerWaalsContact CD1-C 3.44Å; L119-Q131 WeakPolarHBondContact CD1-O 3.28Å; H129-Q131 PolarHBondContact O-N 2.84Å; Q131-A152 PolarHBondContact N-O 3.01Å; Q131-D154 PolarHBondContact NE2-OD1 3.14Å
132Q98.6Very high97.7Very high92 Ų9270.4 Ų70.443%0.4337%0.367SS..EExtended strand (participates in β ladder)trans-149.5146.7175.6-58.1-177.8-56.800110.3S116 M151 A152 L158S116-Q132 WeakPolarHBondContact OG-CA 3.44Å; Q132-M151 CarbonylContact O-C 3.6Å; Q132-M151 WeakPolarHBondContact O-CA 3.46Å; Q132-A152 HydrophobicContact CB-CB 3.86Å; Q132-A152 HydrophobicContact CG-CB 4.35Å; Q132-A152 PolarHBondContact N-O 2.92Å; Q132-A152 PolarHBondContact O-N 2.96Å; Q132-L158 HydrophobicContact CB-CD1 4.31Å
133I98.8Very high97.6Very high7 Ų768.9 Ų68.94%0.03637%0.368CS..EExtended strand (participates in β ladder)trans-126.9139.7171.3-70.1171.3000108.3L99 E101 S116 V130 V149 S150L99-I133 HydrophobicContact CD2-CD1 4Å; E101-I133 WeakPolarHBondContact OE2-CD1 3.47Å; S116-I133 PolarHBondContact N-O 2.73Å; S116-I133 PolarHBondContact OG-N 3.2Å; S116-I133 PolarHBondContact OG-O 3.26Å; V130-I133 HydrophobicContact CG1-CD1 3.77Å; V130-I133 HydrophobicContact CG1-CG1 3.6Å; I133-V149 HydrophobicContact CG2-CG1 4.07Å; I133-S150 WeakPolarHBondContact CA-O 3.27Å
134G98.8Very high97.6Very high8 Ų865.9 Ų65.98%0.08234%0.34CS..EExtended strand (participates in β ladder)trans-128.1135.5168.700000109.5L114 V149 S150L114-G134 CarbonylContact O-C 3.59Å; L114-G134 WeakPolarHBondContact O-CA 3.21Å; G134-V149 CarbonylContact O-C 3.58Å; G134-V149 WeakPolarHBondContact O-CA 3.15Å; G134-S150 PolarHBondContact N-O 2.85Å; G134-S150 PolarHBondContact O-N 2.89Å
135R98.8Very high97.7Very high5 Ų558 Ų582%0.01931%0.305CS..EExtended strand (participates in β ladder)trans-129138.7-175.9-173.9-178.9-58.9-110.77.8110.8E76 E101 E103 K113 L114 T148 V149E76-R135 IonicContact OE1-CZ 3.33Å; E76-R135 VanDerWaalsContact OE1-CZ 3.28Å; E76-R135 IonicContact OE1-NH1 3.93Å; E76-R135 PolarHBondContact OE1-NH1 3.01Å; E76-R135 IonicContact OE1-NH2 3.54Å; E76-R135 PolarHBondContact OE1-NH2 2.93Å; E76-R135 IonicContact OE2-NH2 3.65Å; E76-R135 PolarHBondContact OE2-NH2 2.95Å; E101-R135 IonicContact OE1-NH2 3.43Å; E103-R135 IonicContact OE1-CZ 2.78Å; E103-R135 IonicContact OE1-NE 3.53Å; E103-R135 PolarHBondContact OE1-NE 3.17Å; E103-R135 IonicContact OE1-NH2 3.74Å; E103-R135 PolarHBondContact OE1-NH2 3.12Å; E103-R135 WeakPolarHBondContact OE2-CB 3.49Å; E103-R135 IonicContact OE2-NE 3.19Å; K113-R135 WeakPolarHBondContact CA-O 3.31Å; L114-R135 HydrophobicContact CB-CB 4.31Å; L114-R135 PolarHBondContact N-O 2.85Å; L114-R135 PolarHBondContact O-N 3.03Å; R135-T148 CarbonylContact C-O 3.47Å; R135-T148 WeakPolarHBondContact CA-O 3.39Å; R135-V149 HydrophobicContact CG-CG2 4.45Å
136V98.9Very high97.8Very high47 Ų4759.9 Ų59.929%0.28531%0.31SS..EExtended strand (participates in β ladder)trans-124.7126.2168.7-176.10000108.9Q111 L112 K113 Q147 T148Q111-V136 HydrophobicContact CG-CG1 4.02Å; L112-V136 CarbonylContact O-C 3.59Å; L112-V136 VanDerWaalsContact O-CA 3.24Å; L112-V136 WeakPolarHBondContact O-CA 3.38Å; K113-V136 HydrophobicContact CG-CG1 4.36Å; K113-V136 HydrophobicContact CG-CG2 4.13Å; V136-Q147 CarbonylContact O-C 3.52Å; V136-Q147 VanDerWaalsContact O-CA 3.31Å; V136-Q147 WeakPolarHBondContact O-CA 3.47Å; V136-T148 PolarHBondContact N-O 2.9Å; V136-T148 PolarHBondContact O-N 2.75Å
137L98.8Very high98Very high0 Ų051 Ų510%027%0.271CS..EExtended strand (participates in β ladder)trans-115.8130.3167.9-68.5171.6000108.9W21 L22 F91 Q111 L112 L145 E146 Q147W21-L137 HydrophobicContact CH2-CB 4.24Å; L22-L137 HydrophobicContact CD2-CD1 4.23Å; F91-L137 HydrophobicContact CE1-CD1 4.26Å; F91-L137 HydrophobicContact CZ-CD1 3.73Å; Q111-L137 CarbonylContact C-O 3.59Å; Q111-L137 WeakPolarHBondContact CA-O 3.24Å; L112-L137 HydrophobicContact CB-CB 4.32Å; L112-L137 HydrophobicContact CD1-CD1 4.48Å; L112-L137 PolarHBondContact N-O 3.48Å; L112-L137 PolarHBondContact O-N 3.11Å; L137-L145 HydrophobicContact CB-CD1 4.5Å; L137-E146 CarbonylContact C-O 3.58Å; L137-E146 VanDerWaalsContact CA-O 3.31Å; L137-E146 WeakPolarHBondContact CA-O 3.31Å; L137-Q147 HydrophobicContact CD2-CB 3.65Å; L137-Q147 HydrophobicContact CD2-CG 3.74Å
138Q98.8Very high98.2Very high45 Ų4545.9 Ų45.921%0.2125%0.25CS..EExtended strand (participates in β ladder)trans-135.7124-178.6174.868.965.900111N110 Q111 L145 E146N110-Q138 WeakPolarHBondContact O-CA 3.33Å; N110-Q138 PolarHBondContact O-NE2 2.68Å; Q111-Q138 VanDerWaalsContact CD-OE1 3.23Å; Q111-Q138 HydrophobicContact CG-CB 4.45Å; Q138-L145 CarbonylContact O-C 3.59Å; Q138-L145 WeakPolarHBondContact O-CA 3.41Å; Q138-E146 HydrophobicContact CB-CB 4.49Å; Q138-E146 PolarHBondContact N-O 3.2Å; Q138-E146 PolarHBondContact O-N 2.97Å
139L98.7Very high98.3Very high35 Ų3543.6 Ų43.618%0.18324%0.235CC..EExtended strand (participates in β ladder)trans-82121162.1-171.875.6000109.8W21 W26 N110W21-L139 HydrophobicContact CB-CD2 4.07Å; W21-L139 HydrophobicContact CD2-CB 4.31Å; W21-L139 HydrophobicContact CE3-CB 3.71Å; W21-L139 HydrophobicContact CZ3-CB 4.07Å; W26-L139 HydrophobicContact CH2-CD1 3.51Å; W26-L139 HydrophobicContact CZ2-CD1 4.29Å; W26-L139 HydrophobicContact CZ3-CD1 4.29Å; N110-L139 HydrophobicContact CB-CB 3.75Å; N110-L139 PolarHBondContact O-N 2.85Å
140R98Very high98.4Very high82 Ų8242.9 Ų42.931%0.30924%0.236SC..  trans-78.9159.7175.8-76.9170.427.3159.9-2.1112.6D142 G143 K144 E146R140-D142 WeakPolarHBondContact CB-OD1 3.28Å; R140-D142 IonicContact CZ-OD1 2.85Å; R140-D142 IonicContact CZ-OD2 2.81Å; R140-D142 IonicContact NE-OD1 3.34Å; R140-D142 PolarHBondContact NE-OD1 2.78Å; R140-D142 IonicContact NE-OD2 3.56Å; R140-D142 IonicContact NH2-OD1 3.72Å; R140-D142 PolarHBondContact NH2-OD1 3.16Å; R140-D142 IonicContact NH2-OD2 3.72Å; R140-D142 PolarHBondContact NH2-OD2 3.19Å; R140-D142 PolarHBondContact O-N 2.89Å; R140-D142 VanDerWaalsContact O-N 3.17Å; R140-G143 PolarHBondContact O-N 3.35Å; R140-K144 WeakPolarHBondContact CB-O 3.43Å; R140-K144 PolarHBondContact N-O 2.83Å; R140-E146 WeakPolarHBondContact CD-OE1 3.38Å; R140-E146 HydrophobicContact CG-CG 4.41Å; R140-E146 IonicContact CZ-OE1 2.74Å; R140-E146 IonicContact NE-OE1 3.28Å; R140-E146 IonicContact NH1-OE1 3.89Å; R140-E146 PolarHBondContact NH1-OE1 2.85Å
141P97.5Very high98.4Very high143 Ų14343 Ų4393%0.92924%0.235SC*.THydrogen-bonded Turntrans-58-26.3174.6-25.935.5000114.5G143P141-G143 PolarHBondContact O-N 2.85Å
142D96.6Very high98.4Very high87 Ų8739.3 Ų39.347%0.46522%0.218SC..THydrogen-bonded Turntrans-84.98.3176.473.2-27.2000113.5R140 K144R140-D142 WeakPolarHBondContact CB-OD1 3.28Å; R140-D142 IonicContact CZ-OD1 2.85Å; R140-D142 IonicContact CZ-OD2 2.81Å; R140-D142 IonicContact NE-OD1 3.34Å; R140-D142 PolarHBondContact NE-OD1 2.78Å; R140-D142 IonicContact NE-OD2 3.56Å; R140-D142 IonicContact NH2-OD1 3.72Å; R140-D142 PolarHBondContact NH2-OD1 3.16Å; R140-D142 IonicContact NH2-OD2 3.72Å; R140-D142 PolarHBondContact NH2-OD2 3.19Å; R140-D142 PolarHBondContact O-N 2.89Å; R140-D142 VanDerWaalsContact O-N 3.17Å; D142-K144 VanDerWaalsContact C-N 3.32Å; D142-K144 PolarHBondContact O-N 3.29Å; D142-K144 PolarHBondContact OD1-N 3.32Å
143G97.2Very high98.4Very high37 Ų3735.4 Ų35.438%0.38120%0.201SC..SBendtrans83.80.7175.300000114.9W26 R140 P141W26-G143 WeakPolarHBondContact CZ3-O 3.41Å; R140-G143 PolarHBondContact O-N 3.35Å; P141-G143 PolarHBondContact O-N 2.85Å
144K98.3Very high98.1Very high61 Ų6139.5 Ų39.527%0.26522%0.223SC..  trans-79.4144.2175.6-62.8-164-179.3-145.20111.9D29 R140 D142 T165 Y166D29-K144 IonicContact OD2-NZ 3.41Å; D29-K144 PolarHBondContact OD2-NZ 2.62Å; R140-K144 WeakPolarHBondContact CB-O 3.43Å; R140-K144 PolarHBondContact N-O 2.83Å; D142-K144 VanDerWaalsContact C-N 3.32Å; D142-K144 PolarHBondContact O-N 3.29Å; D142-K144 PolarHBondContact OD1-N 3.32Å; K144-T165 HydrophobicContact CB-CG2 3.84Å; K144-T165 HydrophobicContact CD-CG2 3.78Å; K144-T165 HydrophobicContact CG-CG2 4.41Å; K144-Y166 WeakPolarHBondContact CA-O 3.38Å
145L98.7Very high97.9Very high0 Ų044 Ų440%025%0.245CC..EExtended strand (participates in β ladder)trans-92.9137170.4179.661.7000108.9W21 W26 L48 F50 L137 Q138 T165 Y166W21-L145 HydrophobicContact CE3-CD1 4.46Å; W21-L145 HydrophobicContact CZ3-CD1 3.67Å; W26-L145 HydrophobicContact CB-CD2 4.41Å; W26-L145 HydrophobicContact CD2-CB 3.96Å; W26-L145 HydrophobicContact CD2-CD2 3.81Å; W26-L145 HydrophobicContact CE3-CB 3.59Å; W26-L145 HydrophobicContact CE3-CD2 4.32Å; W26-L145 HydrophobicContact CG-CD2 3.85Å; W26-L145 HydrophobicContact CH2-CB 4.05Å; W26-L145 HydrophobicContact CZ2-CB 4.34Å; W26-L145 HydrophobicContact CZ2-CD2 4.45Å; W26-L145 HydrophobicContact CZ3-CB 3.67Å; L48-L145 HydrophobicContact CD1-CD2 3.72Å; F50-L145 HydrophobicContact CE2-CD2 4.33Å; L137-L145 HydrophobicContact CB-CD1 4.5Å; Q138-L145 CarbonylContact O-C 3.59Å; Q138-L145 WeakPolarHBondContact O-CA 3.41Å; L145-T165 CarbonylContact O-C 3.56Å; L145-T165 VanDerWaalsContact O-CA 3.28Å; L145-T165 WeakPolarHBondContact O-CA 3.16Å; L145-T165 WeakPolarHBondContact O-CG2 3.35Å; L145-Y166 HydrophobicContact CB-CD2 4.01Å; L145-Y166 HydrophobicContact CD2-CD2 4.17Å; L145-Y166 HydrophobicContact CG-CD2 3.95Å; L145-Y166 HydrophobicContact CG-CE2 4.47Å; L145-Y166 PolarHBondContact N-O 2.93Å; L145-Y166 WeakPolarHBondContact O-CD2 3.44Å; L145-Y166 PolarHBondContact O-N 3.03Å
146E98.6Very high97.8Very high62 Ų6245.7 Ų45.729%0.2925%0.253SS..EExtended strand (participates in β ladder)trans-117.4140.2171.2-72.9177.616500109.9L137 Q138 R140 I164 T165L137-E146 CarbonylContact C-O 3.58Å; L137-E146 VanDerWaalsContact CA-O 3.31Å; L137-E146 WeakPolarHBondContact CA-O 3.31Å; Q138-E146 HydrophobicContact CB-CB 4.49Å; Q138-E146 PolarHBondContact N-O 3.2Å; Q138-E146 PolarHBondContact O-N 2.97Å; R140-E146 WeakPolarHBondContact CD-OE1 3.38Å; R140-E146 HydrophobicContact CG-CG 4.41Å; R140-E146 IonicContact CZ-OE1 2.74Å; R140-E146 IonicContact NE-OE1 3.28Å; R140-E146 IonicContact NH1-OE1 3.89Å; R140-E146 PolarHBondContact NH1-OE1 2.85Å; E146-I164 WeakPolarHBondContact CA-O 3.39Å; E146-T165 HydrophobicContact CG-CG2 3.96Å
147Q98.8Very high97.8Very high2 Ų248 Ų481%0.00927%0.269CS..EExtended strand (participates in β ladder)trans-123.8135171.2-178.9168.1-114.400110.2E46 V136 L137 V149 S163 I164 Y166E46-Q147 PolarHBondContact OE2-NE2 2.81Å; V136-Q147 CarbonylContact O-C 3.52Å; V136-Q147 VanDerWaalsContact O-CA 3.31Å; V136-Q147 WeakPolarHBondContact O-CA 3.47Å; L137-Q147 HydrophobicContact CD2-CB 3.65Å; L137-Q147 HydrophobicContact CD2-CG 3.74Å; Q147-V149 HydrophobicContact CG-CG2 4.06Å; Q147-S163 WeakPolarHBondContact O-CA 3.44Å; Q147-I164 HydrophobicContact CB-CG2 3.94Å; Q147-I164 PolarHBondContact N-O 3.1Å; Q147-I164 PolarHBondContact O-N 2.9Å; Q147-Y166 HydrophobicContact CB-CE2 3.77Å; Q147-Y166 PolarHBondContact NE2-OH 3.46Å
148T98.8Very high97.7Very high39 Ų3951.1 Ų51.124%0.23929%0.285CS..EExtended strand (participates in β ladder)trans-127.5131.8164.9-56.30000109.1R135 V136 Q160 L162R135-T148 CarbonylContact C-O 3.47Å; R135-T148 WeakPolarHBondContact CA-O 3.39Å; V136-T148 PolarHBondContact N-O 2.9Å; V136-T148 PolarHBondContact O-N 2.75Å; T148-Q160 HydrophobicContact CG2-CG 3.89Å; T148-L162 CarbonylContact C-O 3.54Å; T148-L162 VanDerWaalsContact CA-O 3.31Å; T148-L162 WeakPolarHBondContact CA-O 3.24Å
149V98.8Very high97.7Very high10 Ų1051.5 Ų51.56%0.06129%0.291CS..EExtended strand (participates in β ladder)trans-118.5128.9174.2-175.90000108.3I133 G134 R135 Q147 H161 L162I133-V149 HydrophobicContact CG2-CG1 4.07Å; G134-V149 CarbonylContact O-C 3.58Å; G134-V149 WeakPolarHBondContact O-CA 3.15Å; R135-V149 HydrophobicContact CG-CG2 4.45Å; Q147-V149 HydrophobicContact CG-CG2 4.06Å; V149-H161 WeakPolarHBondContact O-CA 3.39Å; V149-H161 PolarHBondContact O-N 2.87Å; V149-L162 HydrophobicContact CB-CB 3.99Å; V149-L162 HydrophobicContact CB-CD1 4.14Å; V149-L162 HydrophobicContact CB-CG 4.3Å; V149-L162 HydrophobicContact CG2-CB 4.34Å; V149-L162 HydrophobicContact CG2-CD1 4.21Å; V149-L162 PolarHBondContact N-O 3.32Å; V149-L162 PolarHBondContact O-N 2.86Å
150S98.8Very high97.7Very high31 Ų3154.3 Ų54.322%0.21730%0.303CS..EExtended strand (participates in β ladder)trans-105.9145168.1-61.80000109.6I133 G134 T159I133-S150 WeakPolarHBondContact CA-O 3.27Å; G134-S150 PolarHBondContact N-O 2.85Å; G134-S150 PolarHBondContact O-N 2.89Å; S150-T159 CarbonylContact C-O 3.54Å; S150-T159 WeakPolarHBondContact CA-O 3.36Å; S150-T159 WeakPolarHBondContact CB-O 3.43Å
151M98.4Very high97.7Very high28 Ų2851.8 Ų51.814%0.13830%0.295CS..EExtended strand (participates in β ladder)trans-135.7138.3-178-173.1178.66600110.2F36 V130 Q132 T153 T159 H161F36-M151 HydrophobicContact CD1-CE 4.15Å; F36-M151 HydrophobicContact CD2-CE 3.91Å; F36-M151 HydrophobicContact CE1-CE 3.91Å; F36-M151 HydrophobicContact CE2-CB 4.13Å; F36-M151 HydrophobicContact CE2-CE 3.67Å; F36-M151 WeakPolarHBondContact CE2-O 3.41Å; F36-M151 HydrophobicContact CG-CE 4.16Å; F36-M151 HydrophobicContact CZ-CE 3.67Å; V130-M151 HydrophobicContact CG1-CG 3.82Å; V130-M151 HydrophobicContact CG1-SD 4.32Å; V130-M151 HydrophobicContact CG2-CG 4.14Å; V130-M151 HydrophobicContact CG2-SD 3.56Å; V130-M151 VanDerWaalsContact CG2-SD 3.56Å; Q132-M151 CarbonylContact O-C 3.6Å; Q132-M151 WeakPolarHBondContact O-CA 3.46Å; M151-T153 HydrophobicContact CE-CG2 3.99Å; M151-T153 HydrophobicContact CG-CG2 4.41Å; M151-T153 HydrophobicContact SD-CG2 4.42Å; M151-T159 PolarHBondContact N-O 2.85Å; M151-T159 PolarHBondContact O-N 2.88Å; M151-H161 HydrophobicContact CB-CB 3.92Å
152A98.5Very high97.8Very high4 Ų446.6 Ų46.63%0.03326%0.259CS..EExtended strand (participates in β ladder)trans-110.9147.8164.900000109V130 Q131 Q132 Q156 L158V130-A152 WeakPolarHBondContact CA-O 3.42Å; Q131-A152 PolarHBondContact N-O 3.01Å; Q132-A152 HydrophobicContact CB-CB 3.86Å; Q132-A152 HydrophobicContact CG-CB 4.35Å; Q132-A152 PolarHBondContact N-O 2.92Å; Q132-A152 PolarHBondContact O-N 2.96Å; A152-Q156 WeakPolarHBondContact CA-O 3.36Å; A152-L158 HydrophobicContact CB-CB 4.06Å; A152-L158 HydrophobicContact CB-CD1 4.24Å
153T97.7Very high97.8Very high11 Ų1144.5 Ų44.57%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-129.8178.5173.767.40000110.3F36 P128 H129 M151 N155 Q156F36-T153 HydrophobicContact CE1-CG2 3.88Å; F36-T153 HydrophobicContact CZ-CG2 3.87Å; P128-T153 HydrophobicContact CG-CG2 4.33Å; H129-T153 CarbonylContact O-C 3.57Å; H129-T153 WeakPolarHBondContact O-CA 2.92Å; H129-T153 WeakPolarHBondContact O-CB 3.39Å; M151-T153 HydrophobicContact CE-CG2 3.99Å; M151-T153 HydrophobicContact CG-CG2 4.41Å; M151-T153 HydrophobicContact SD-CG2 4.42Å; T153-N155 PolarHBondContact O-N 2.75Å; T153-N155 PolarHBondContact OG1-OD1 3.35Å; T153-Q156 PolarHBondContact N-O 2.77Å; T153-Q156 PolarHBondContact O-N 2.66Å; T153-Q156 PolarHBondContact OG1-N 2.95Å
154D93.3Very high97.9Very high92 Ų9243 Ų4349%0.49223%0.234SC..THydrogen-bonded Turntrans-51.7-28.9177.1-60.5-47.7000114.1H129 Q131H129-D154 WeakPolarHBondContact CB-OD2 3.46Å; H129-D154 IonicContact CG-OD2 2.65Å; H129-D154 PolarHBondContact N-OD2 3.19Å; H129-D154 PolarHBondContact O-N 2.94Å; Q131-D154 PolarHBondContact NE2-OD1 3.14Å
155N94.7Very high97.9Very high104 Ų10442.1 Ų42.156%0.55623%0.234SC*.THydrogen-bonded Turntrans-119.94.3-173.664.814.1000114.3T153T153-N155 PolarHBondContact O-N 2.75Å; T153-N155 PolarHBondContact OG1-OD1 3.35Å
156Q96.8Very high97.9Very high40 Ų4042.1 Ų42.119%0.18723%0.234CC..EExtended strand (participates in β ladder)trans-142.9122.4-175.7178.957.15000110.6F36 P37 A152 T153 T159F36-Q156 HydrophobicContact CE1-CB 3.84Å; F36-Q156 HydrophobicContact CE1-CG 3.71Å; F36-Q156 HydrophobicContact CE2-CG 4.07Å; F36-Q156 HydrophobicContact CZ-CB 3.79Å; F36-Q156 HydrophobicContact CZ-CG 3.41Å; F36-Q156 VanDerWaalsContact CZ-CG 3.41Å; P37-Q156 HydrophobicContact CG-CG 4.18Å; A152-Q156 WeakPolarHBondContact CA-O 3.36Å; T153-Q156 PolarHBondContact N-O 2.77Å; T153-Q156 PolarHBondContact O-N 2.66Å; T153-Q156 PolarHBondContact OG1-N 2.95Å; Q156-T159 HydrophobicContact CG-CG2 4.21Å
157P97.8Very high97.9Very high94 Ų9440.9 Ų40.961%0.6123%0.232SC*.EExtended strand (participates in β ladder)trans-63.1161.1174.127.4-37000111.8T159P157-T159 PolarHBondContact O-N 3.46Å; P157-T159 VanDerWaalsContact O-N 3.1Å
158L98.2Very high97.8Very high66 Ų6645.9 Ų45.935%0.34625%0.251SS..EExtended strand (participates in β ladder)trans-51.5117.2-179.7-171.468.8000110.8Q132 A152Q132-L158 HydrophobicContact CB-CD1 4.31Å; A152-L158 HydrophobicContact CB-CB 4.06Å; A152-L158 HydrophobicContact CB-CD1 4.24Å
159T98.1Very high97.6Very high53 Ų5347 Ų4733%0.32526%0.261SS..EExtended strand (participates in β ladder)trans-145.7160.6178.1-166.70000109.7F36 P37 S150 M151 Q156 P157 H161F36-T159 HydrophobicContact CD2-CG2 4.06Å; F36-T159 HydrophobicContact CE2-CG2 3.71Å; P37-T159 HydrophobicContact CG-CG2 4.3Å; S150-T159 CarbonylContact C-O 3.54Å; S150-T159 WeakPolarHBondContact CA-O 3.36Å; S150-T159 WeakPolarHBondContact CB-O 3.43Å; M151-T159 PolarHBondContact N-O 2.85Å; M151-T159 PolarHBondContact O-N 2.88Å; Q156-T159 HydrophobicContact CG-CG2 4.21Å; P157-T159 PolarHBondContact O-N 3.46Å; P157-T159 VanDerWaalsContact O-N 3.1Å; T159-H161 PolarHBondContact O-N 3.2Å
160Q98.1Very high96.7Very high94 Ų9452 Ų5244%0.43930%0.296SS..EExtended strand (participates in β ladder)trans-58.4132.1178.8-175.3174.8-65.600109.9T148T148-Q160 HydrophobicContact CG2-CG 3.89Å
161H98.3Very high96.6Very high30 Ų3053.1 Ų53.114%0.13930%0.3CS..EExtended strand (participates in β ladder)trans-111.9-44.2176.8-174.634.4000112.2G34 T35 F36 V149 M151 T159G34-H161 CarbonylContact C-O 3.49Å; G34-H161 VanDerWaalsContact CA-O 3.3Å; G34-H161 WeakPolarHBondContact CA-O 3.3Å; T35-H161 PolarHBondContact N-O 3.46Å; T35-H161 CarbonylContact O-C 3.6Å; T35-H161 VanDerWaalsContact O-CA 3.24Å; T35-H161 WeakPolarHBondContact O-CA 3.29Å; T35-H161 PolarHBondContact O-ND1 2.85Å; T35-H161 VanDerWaalsContact O-O 3.06Å; F36-H161 HydrophobicContact CD2-CB 4.26Å; F36-H161 AromaticContact CD2-ND1 3.83Å; V149-H161 WeakPolarHBondContact O-CA 3.39Å; V149-H161 PolarHBondContact O-N 2.87Å; M151-H161 HydrophobicContact CB-CB 3.92Å; T159-H161 PolarHBondContact O-N 3.2Å
162L98.7Very high96.5Very high33 Ų3354.4 Ų54.417%0.17331%0.308CS..EExtended strand (participates in β ladder)trans-133.1142.2-173.9-55173.3000110.7E33 F42 Y44 T148 V149E33-L162 WeakPolarHBondContact O-CA 3.36Å; F42-L162 HydrophobicContact CE2-CD2 4.42Å; F42-L162 HydrophobicContact CZ-CD2 3.94Å; Y44-L162 HydrophobicContact CE1-CD2 3.91Å; T148-L162 CarbonylContact C-O 3.54Å; T148-L162 VanDerWaalsContact CA-O 3.31Å; T148-L162 WeakPolarHBondContact CA-O 3.24Å; V149-L162 HydrophobicContact CB-CB 3.99Å; V149-L162 HydrophobicContact CB-CD1 4.14Å; V149-L162 HydrophobicContact CB-CG 4.3Å; V149-L162 HydrophobicContact CG2-CB 4.34Å; V149-L162 HydrophobicContact CG2-CD1 4.21Å; V149-L162 PolarHBondContact N-O 3.32Å; V149-L162 PolarHBondContact O-N 2.86Å
163S98.6Very high96.4Very high43 Ų4357.2 Ų57.230%0.30132%0.324SS..EExtended strand (participates in β ladder)trans-143.4134.3167.8-176.70000110.7G32 E33 Q147G32-S163 CarbonylContact C-O 3.53Å; G32-S163 VanDerWaalsContact CA-O 3.28Å; G32-S163 WeakPolarHBondContact CA-O 3.47Å; E33-S163 PolarHBondContact N-O 3.17Å; E33-S163 PolarHBondContact O-N 3.23Å; Q147-S163 WeakPolarHBondContact O-CA 3.44Å
164I98.7Very high96.3Very high5 Ų559.9 Ų59.93%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-160.9150.4-174.7-174.5163.7000111.5Y44 E46 E146 Q147 Y166Y44-I164 HydrophobicContact CD2-CD1 4.09Å; Y44-I164 HydrophobicContact CE2-CD1 3.54Å; Y44-I164 WeakPolarHBondContact OH-CG2 3.25Å; E46-I164 HydrophobicContact CB-CD1 3.82Å; E146-I164 WeakPolarHBondContact CA-O 3.39Å; Q147-I164 HydrophobicContact CB-CG2 3.94Å; Q147-I164 PolarHBondContact N-O 3.1Å; Q147-I164 PolarHBondContact O-N 2.9Å; I164-Y166 HydrophobicContact CD1-CE1 3.96Å; I164-Y166 HydrophobicContact CG1-CE1 4.03Å; I164-Y166 HydrophobicContact CG2-CE1 4.2Å; I164-Y166 HydrophobicContact CG2-CE2 3.78Å; I164-Y166 WeakPolarHBondContact CG2-OH 3.36Å
165T98.6Very high96.5Very high43 Ų4357.9 Ų57.926%0.26433%0.329SS..EExtended strand (participates in β ladder)trans-124.2142.3178.4-51.80000109.8S28 K144 L145 E146S28-T165 WeakPolarHBondContact CA-O 3.33Å; K144-T165 HydrophobicContact CB-CG2 3.84Å; K144-T165 HydrophobicContact CD-CG2 3.78Å; K144-T165 HydrophobicContact CG-CG2 4.41Å; L145-T165 CarbonylContact O-C 3.56Å; L145-T165 VanDerWaalsContact O-CA 3.28Å; L145-T165 WeakPolarHBondContact O-CA 3.16Å; L145-T165 WeakPolarHBondContact O-CG2 3.35Å; E146-T165 HydrophobicContact CG-CG2 3.96Å
166Y98.6Very high96.6Very high0 Ų054.8 Ų54.80%031%0.314CS..EExtended strand (participates in β ladder)trans-128.2149.6-175.9-40-99.9000111.7W26 E27 E46 L48 K144 L145 Q147 I164W26-Y166 HydrophobicContact CB-CG 4.25Å; E27-Y166 CarbonylContact O-C 3.5Å; E27-Y166 VanDerWaalsContact O-CA 3.25Å; E27-Y166 WeakPolarHBondContact O-CA 3.35Å; E27-Y166 WeakPolarHBondContact O-CB 3.24Å; E46-Y166 HydrophobicContact CB-CE1 4.01Å; E46-Y166 HydrophobicContact CG-CE1 4.22Å; E46-Y166 PolarHBondContact OE2-OH 2.97Å; L48-Y166 HydrophobicContact CD1-CD1 4.22Å; L48-Y166 HydrophobicContact CD1-CD2 4.1Å; L48-Y166 HydrophobicContact CD1-CE1 3.87Å; L48-Y166 HydrophobicContact CD1-CE2 3.77Å; L48-Y166 HydrophobicContact CD1-CG 4.32Å; L48-Y166 HydrophobicContact CD2-CE1 3.85Å; L48-Y166 HydrophobicContact CG-CD1 4.09Å; L48-Y166 HydrophobicContact CG-CE1 3.7Å; K144-Y166 WeakPolarHBondContact CA-O 3.38Å; L145-Y166 HydrophobicContact CB-CD2 4.01Å; L145-Y166 HydrophobicContact CD2-CD2 4.17Å; L145-Y166 HydrophobicContact CG-CD2 3.95Å; L145-Y166 HydrophobicContact CG-CE2 4.47Å; L145-Y166 PolarHBondContact N-O 2.93Å; L145-Y166 WeakPolarHBondContact O-CD2 3.44Å; L145-Y166 PolarHBondContact O-N 3.03Å; Q147-Y166 HydrophobicContact CB-CE2 3.77Å; Q147-Y166 PolarHBondContact NE2-OH 3.46Å; I164-Y166 HydrophobicContact CD1-CE1 3.96Å; I164-Y166 HydrophobicContact CG1-CE1 4.03Å; I164-Y166 HydrophobicContact CG2-CE1 4.2Å; I164-Y166 HydrophobicContact CG2-CE2 3.78Å; I164-Y166 WeakPolarHBondContact CG2-OH 3.36Å
167S98.4Very high96.6Very high37 Ų3755.9 Ų55.926%0.25932%0.323SS..EExtended strand (participates in β ladder)trans-103152.7160.5-71.70000111W26 E27 D29W26-S167 WeakPolarHBondContact CA-O 3.17Å; E27-S167 PolarHBondContact N-O 3.13Å; E27-S167 PolarHBondContact O-N 3.28Å; D29-S167 WeakPolarHBondContact OD1-CB 3.47Å; D29-S167 PolarHBondContact OD1-OG 2.89Å; D29-S167 PolarHBondContact OD2-OG 3.16Å
168R97.2Very high96.5Very high107 Ų10752.9 Ų52.940%0.40430%0.301SS..EExtended strand (participates in β ladder)trans-72.5127.1175.3-171.2-179.6-64.9-8110.1109.5W21 L23 T25 W26W21-R168 PolarHBondContact O-NH2 2.91Å; L23-R168 PolarHBondContact O-NH1 2.87Å; T25-R168 WeakPolarHBondContact O-CA 3.36Å; W26-R168 HydrophobicContact CD2-CB 4.46Å; W26-R168 HydrophobicContact CE3-CB 3.94Å; W26-R168 HydrophobicContact CH2-CB 4.24Å; W26-R168 VanDerWaalsContact CH2-NH2 3.29Å; W26-R168 HydrophobicContact CZ3-CB 3.79Å
169S93.3Very high96.4Very high63 Ų6351.8 Ų51.844%0.44130%0.297SS..  trans-107.2-23179.964.90000114.2T25 E27T25-S169 WeakPolarHBondContact CB-OG 3.37Å; T25-S169 VanDerWaalsContact CG2-OG 3.24Å; T25-S169 WeakPolarHBondContact CG2-OG 3.35Å; T25-S169 PolarHBondContact O-N 3.3Å; E27-S169 PolarHBondContact OE1-OG 2.71Å; E27-S169 VanDerWaalsContact OE1-OG 3.07Å
170S80.3Confident96.2Very high114 Ų11451.7 Ų51.780%0.79730%0.295SS*.  trans-158.70172.870.10000111.9G24 T25G24-S170 CarbonylContact C-O 3.55Å; G24-S170 WeakPolarHBondContact CA-O 3.35Å; T25-S170 WeakPolarHBondContact CB-OG 3.45Å; T25-S170 PolarHBondContact N-O 3.06Å; T25-S170 PolarHBondContact OG1-OG 2.96Å

Retrieved 170 of 170 residues in 155.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).