A0A093HJI0_STRCA Loading...

Polycomb group RING finger protein 5

Component of a Polycomb group (PcG) multiprotein PRC1-like complex, a complex class required to maintain the transcriptionally repressive state of many genes, including Hox genes, throughout development. PcG PRC1 complex acts via chromatin remodeling and modification of histones; it mediates monoubiquitination of histone H2A 'Lys-119', rendering chromatin heritably changed in its expressibility. Within the PRC1-like complex, regulates RNF2 ubiquitin ligase activity. Plays a redundant role with PCGF3 as part of a PRC1-like complex that mediates monoubiquitination of histone H2A 'Lys-119' on the X chromosome and is required for normal silencing of one copy of the X chromosome in XX females.

AlphaFold DB , UniProt , Accession A0A093HJI0, Species STRCA (Struthio camelus australis), Gene n/a, Length 256 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.3Very low78.5Confident238 Ų238147.5 Ų147.5100%1.17274%0.735SS**  0107.40-68.6176.1176.500107.3T3M1-T3 PolarHBondContact O-N 3.05Å
2A55.5Low79.9Confident104 Ų104140.3 Ų140.386%0.8670%0.696SS**  trans-70.1114.4176.900000108.3Q4A2-Q4 PolarHBondContact O-N 3.12Å; A2-Q4 VanDerWaalsContact O-N 3.12Å
3T62.1Low81.1Confident135 Ų135133.1 Ų133.183%0.82866%0.662SS**  trans-63.7108.8172.728.60000108.5M1 R5M1-T3 PolarHBondContact O-N 3.05Å; T3-R5 PolarHBondContact O-N 3.23Å
4Q68.4Low82.2Confident188 Ų188129.9 Ų129.988%0.87966%0.655SS**  trans-62.3110.5171.6-93.2177.9-10.700108.8A2 K6A2-Q4 PolarHBondContact O-N 3.12Å; A2-Q4 VanDerWaalsContact O-N 3.12Å; Q4-K6 PolarHBondContact O-N 3Å
5R80.5Confident83.1Confident216 Ų216130.9 Ų130.982%0.81566%0.656SS**PPolyproline II helixtrans-65.3119.7169.6-77.7179.6169.1159.8-3.3108.2T3T3-R5 PolarHBondContact O-N 3.23Å
6K83.8Confident84Confident200 Ų200122.9 Ų122.987%0.8762%0.617SS**PPolyproline II helixtrans-83.3118.9170.5-66-177-180-179.10107.8Q4Q4-K6 PolarHBondContact O-N 3Å
7H87.9Confident84.8Confident127 Ų127117.9 Ų117.959%0.58859%0.594SS**PPolyproline II helixtrans-94133.7173.5-67.6-78.6000109.3F12H7-F12 HydrophobicContact CB-CE2 3.83Å; H7-F12 HydrophobicContact CB-CZ 3.81Å
8L93.5Very high85.6Confident114 Ų114111.4 Ų111.460%0.59756%0.561SS**PPolyproline II helixtrans-87.6144.3175.5-61.6174.7000108.9K10 D11 F12L8-K10 PolarHBondContact O-N 3.28Å; L8-K10 VanDerWaalsContact O-N 3.15Å; L8-D11 PolarHBondContact N-OD2 3.31Å; L8-D11 VanDerWaalsContact O-CB 3.31Å; L8-D11 WeakPolarHBondContact O-CB 3.31Å; L8-D11 PolarHBondContact O-N 3.29Å; L8-F12 WeakPolarHBondContact O-CD2 3.24Å; L8-F12 WeakPolarHBondContact O-CE2 3.49Å
9V93.4Very high86.2Confident47 Ų47110.7 Ų110.729%0.28555%0.552SS.*G310 helixtrans-54.7-37.6176.9-178.80000111.3D11 F12 N13 V83V9-D11 PolarHBondContact O-N 3.12Å; V9-D11 VanDerWaalsContact O-N 3.12Å; V9-F12 PolarHBondContact O-N 3.49Å; V9-N13 PolarHBondContact O-OD1 2.99Å; V9-V83 HydrophobicContact CG1-CG1 4.47Å; V9-V83 HydrophobicContact CG1-CG2 3.9Å
10K93.9Very high86.8Confident163 Ų163108.5 Ų108.571%0.70954%0.541SS*.G310 helixtrans-55.2-30.9178.9-171.2-178.1177.8-1750113.2L8 F12 N13L8-K10 PolarHBondContact O-N 3.28Å; L8-K10 VanDerWaalsContact O-N 3.15Å; K10-F12 PolarHBondContact O-N 3.01Å; K10-N13 WeakPolarHBondContact O-CB 3.36Å; K10-N13 PolarHBondContact O-N 2.82Å
11D94.8Very high87.3Confident90 Ų90106.5 Ų106.548%0.48154%0.537SS..G310 helixtrans-66.5-24.7-178.4-55.5-27.4000111.4L8 V9L8-D11 PolarHBondContact N-OD2 3.31Å; L8-D11 VanDerWaalsContact O-CB 3.31Å; L8-D11 WeakPolarHBondContact O-CB 3.31Å; L8-D11 PolarHBondContact O-N 3.29Å; V9-D11 PolarHBondContact O-N 3.12Å; V9-D11 VanDerWaalsContact O-N 3.12Å
12F95.7Very high89.6Confident62 Ų62101.8 Ų101.827%0.27251%0.51SS..G310 helixtrans-92-15.6-179.6-55.6-77000113.4H7 L8 V9 K10 P14 H15 I16 L82H7-F12 HydrophobicContact CB-CE2 3.83Å; H7-F12 HydrophobicContact CB-CZ 3.81Å; L8-F12 WeakPolarHBondContact O-CD2 3.24Å; L8-F12 WeakPolarHBondContact O-CE2 3.49Å; V9-F12 PolarHBondContact O-N 3.49Å; K10-F12 PolarHBondContact O-N 3.01Å; F12-P14 VanDerWaalsContact C-N 3.31Å; F12-P14 WeakPolarHBondContact O-CD 3.25Å; F12-P14 VanDerWaalsContact O-N 3.08Å; F12-H15 WeakPolarHBondContact O-CB 3.49Å; F12-H15 PolarHBondContact O-N 3.43Å; F12-I16 HydrophobicContact CB-CD1 3.92Å; F12-I16 HydrophobicContact CB-CG1 4.37Å; F12-I16 WeakPolarHBondContact O-CG1 3.35Å; F12-I16 PolarHBondContact O-N 2.73Å; F12-L82 HydrophobicContact CB-CD1 4.31Å; F12-L82 HydrophobicContact CD1-CD1 4.19Å; F12-L82 HydrophobicContact CD2-CD2 4.3Å; F12-L82 HydrophobicContact CE1-CD2 4.39Å; F12-L82 HydrophobicContact CE2-CD2 4.16Å; F12-L82 HydrophobicContact CG-CD1 4.12Å; F12-L82 HydrophobicContact CG-CD2 4.48Å; F12-L82 HydrophobicContact CZ-CD2 4.2Å
13N95.5Very high91.6Very high46 Ų4698.4 Ų98.425%0.24649%0.485CS..Hα-helixtrans-46.9-41.6-174-74.53000115V9 K10 H15 I16 T17V9-N13 PolarHBondContact O-OD1 2.99Å; K10-N13 WeakPolarHBondContact O-CB 3.36Å; K10-N13 PolarHBondContact O-N 2.82Å; N13-H15 PolarHBondContact O-N 3.39Å; N13-H15 VanDerWaalsContact O-N 3.08Å; N13-I16 PolarHBondContact O-N 3.15Å; N13-T17 HydrophobicContact CB-CG2 4.21Å; N13-T17 WeakPolarHBondContact O-CB 3.38Å; N13-T17 VanDerWaalsContact O-CG2 3.3Å; N13-T17 WeakPolarHBondContact O-CG2 3.19Å; N13-T17 PolarHBondContact O-N 3.44Å; N13-T17 VanDerWaalsContact O-N 3.17Å; N13-T17 PolarHBondContact O-OG1 2.67Å
14P96.1Very high93.4Very high88 Ų8895.4 Ų95.457%0.57146%0.459SS*.Hα-helixtrans-58.8-22.6178-25.235.9000114.6F12F12-P14 VanDerWaalsContact C-N 3.31Å; F12-P14 WeakPolarHBondContact O-CD 3.25Å; F12-P14 VanDerWaalsContact O-N 3.08Å
15H96.3Very high94.8Very high145 Ų14586.7 Ų86.767%0.67142%0.418SS*.Hα-helixtrans-104.4-13.8-175.7-54.1-65000113.6F12 N13F12-H15 WeakPolarHBondContact O-CB 3.49Å; F12-H15 PolarHBondContact O-N 3.43Å; N13-H15 PolarHBondContact O-N 3.39Å; N13-H15 VanDerWaalsContact O-N 3.08Å
16I97.5Very high95.6Very high4 Ų477.4 Ų77.42%0.02139%0.385CS..Hα-helixtrans-123.77-173.266174.9000114F12 N13 Y24 L25 I79 L82 V83F12-I16 HydrophobicContact CB-CD1 3.92Å; F12-I16 HydrophobicContact CB-CG1 4.37Å; F12-I16 WeakPolarHBondContact O-CG1 3.35Å; F12-I16 PolarHBondContact O-N 2.73Å; N13-I16 PolarHBondContact O-N 3.15Å; I16-Y24 HydrophobicContact CD1-CD1 3.9Å; I16-Y24 HydrophobicContact CD1-CE1 3.71Å; I16-Y24 HydrophobicContact CG1-CD1 3.92Å; I16-Y24 HydrophobicContact CG1-CE1 4.03Å; I16-Y24 WeakPolarHBondContact O-CA 3.36Å; I16-L25 PolarHBondContact O-N 3Å; I16-I79 HydrophobicContact CB-CD1 4.05Å; I16-I79 HydrophobicContact CB-CG1 3.83Å; I16-I79 HydrophobicContact CG2-CD1 4.29Å; I16-I79 HydrophobicContact CG2-CG1 3.7Å; I16-L82 HydrophobicContact CG2-CD1 4.33Å; I16-V83 HydrophobicContact CD1-CG2 3.71Å
17T98.2Very high96Very high37 Ų3770.2 Ų70.223%0.22735%0.353CS..BIsolated β-bridgetrans-110.3144.617957.50000112.3N13 G23 Y24N13-T17 HydrophobicContact CB-CG2 4.21Å; N13-T17 WeakPolarHBondContact O-CB 3.38Å; N13-T17 VanDerWaalsContact O-CG2 3.3Å; N13-T17 WeakPolarHBondContact O-CG2 3.19Å; N13-T17 PolarHBondContact O-N 3.44Å; N13-T17 VanDerWaalsContact O-N 3.17Å; N13-T17 PolarHBondContact O-OG1 2.67Å; T17-G23 CarbonylContact C-O 3.48Å; T17-G23 WeakPolarHBondContact CA-O 3.41Å; T17-G23 WeakPolarHBondContact CB-O 3.5Å; T17-Y24 HydrophobicContact CG2-CD1 3.96Å; T17-Y24 HydrophobicContact CG2-CE1 4.24Å
18C98.5Very high96.5Very high1 Ų164.2 Ų64.21%0.00733%0.326CS..  trans-74.5131.6179.5-175.90000110.7I20 C21 K22 G23 L25 C39C18-I20 VanDerWaalsContact C-N 3.26Å; C18-I20 PolarHBondContact O-N 3.33Å; C18-C21 VanDerWaalsContact CB-SG 3.51Å; C18-K22 WeakPolarHBondContact O-CA 3.3Å; C18-K22 PolarHBondContact O-N 2.85Å; C18-G23 PolarHBondContact N-O 3.26Å; C18-L25 HydrophobicContact CB-CD2 3.81Å; C18-C39 VanDerWaalsContact CB-SG 3.56Å; C18-C39 PolarHBondContact SG-N 3.26Å
19Y97.8Very high96.7Very high99 Ų9959 Ų5939%0.38830%0.299SS..THydrogen-bonded Turntrans-67.2-26.6177.7-175-97.6000113.1K22 F38 P54 R55Y19-K22 WeakPolarHBondContact O-CD 3.44Å; Y19-K22 VanDerWaalsContact O-CE 3.25Å; Y19-K22 WeakPolarHBondContact O-CE 3.42Å; Y19-K22 PolarHBondContact O-NZ 3.17Å; Y19-F38 HydrophobicContact CD1-CE1 4.49Å; Y19-P54 VanDerWaalsContact CE1-O 3.24Å; Y19-P54 WeakPolarHBondContact CE1-O 3.38Å; Y19-R55 HydrophobicContact CD1-CB 4.26Å; Y19-R55 HydrophobicContact CG-CB 4.4Å
20I97.8Very high96.8Very high65 Ų6557.5 Ų57.533%0.33329%0.29SS..THydrogen-bonded Turntrans-81.2-64.2-177.4-58.4163.2000110.2C18 F38 C42 P54C18-I20 VanDerWaalsContact C-N 3.26Å; C18-I20 PolarHBondContact O-N 3.33Å; I20-F38 HydrophobicContact CD1-CB 4.25Å; I20-F38 HydrophobicContact CD1-CD1 3.7Å; I20-F38 HydrophobicContact CD1-CE1 4.33Å; I20-F38 HydrophobicContact CD1-CG 4.13Å; I20-F38 HydrophobicContact CG1-CD1 3.82Å; I20-F38 HydrophobicContact CG1-CE1 4.23Å; I20-C42 HydrophobicContact CB-CB 4Å; I20-C42 HydrophobicContact CD1-CB 3.59Å; I20-C42 HydrophobicContact CG1-CB 4.41Å; I20-C42 HydrophobicContact CG2-CB 4.06Å; I20-P54 HydrophobicContact CD1-CB 4.3Å; I20-P54 HydrophobicContact CD1-CG 3.92Å; I20-P54 HydrophobicContact CG1-CB 4.05Å; I20-P54 HydrophobicContact CG1-CG 4.23Å
21C97.8Very high97Very high68 Ų6849.8 Ų49.846%0.45926%0.256SS..THydrogen-bonded Turntrans-88.2-6.1-174.469.70000114.8C18 G23C18-C21 VanDerWaalsContact CB-SG 3.51Å; C21-G23 PolarHBondContact O-N 3.08Å
22K97.6Very high97Very high139 Ų13947.8 Ų47.860%0.60425%0.247SC*.SBendtrans61.52-178-46.9-56.3-175.6-172.50115.9C18 Y19C18-K22 WeakPolarHBondContact O-CA 3.3Å; C18-K22 PolarHBondContact O-N 2.85Å; Y19-K22 WeakPolarHBondContact O-CD 3.44Å; Y19-K22 VanDerWaalsContact O-CE 3.25Å; Y19-K22 WeakPolarHBondContact O-CE 3.42Å; Y19-K22 PolarHBondContact O-NZ 3.17Å
23G97.4Very high96.9Very high32 Ų3250.6 Ų50.633%0.3326%0.261SS..SBendtrans-83.8179.7170.800000113.1T17 C18 C21T17-G23 CarbonylContact C-O 3.48Å; T17-G23 WeakPolarHBondContact CA-O 3.41Å; T17-G23 WeakPolarHBondContact CB-O 3.5Å; C18-G23 PolarHBondContact N-O 3.26Å; C21-G23 PolarHBondContact O-N 3.08Å
24Y98.2Very high97Very high72 Ų7249.5 Ų49.528%0.28226%0.257SS..BIsolated β-bridgetrans-62.3148170.2-65.4-61.2000111.2I16 T17 I26 V83 L86I16-Y24 HydrophobicContact CD1-CD1 3.9Å; I16-Y24 HydrophobicContact CD1-CE1 3.71Å; I16-Y24 HydrophobicContact CG1-CD1 3.92Å; I16-Y24 HydrophobicContact CG1-CE1 4.03Å; I16-Y24 WeakPolarHBondContact O-CA 3.36Å; T17-Y24 HydrophobicContact CG2-CD1 3.96Å; T17-Y24 HydrophobicContact CG2-CE1 4.24Å; Y24-I26 PolarHBondContact O-N 3.3Å; Y24-I26 VanDerWaalsContact O-N 3.16Å; Y24-V83 HydrophobicContact CD1-CG2 4.14Å; Y24-V83 HydrophobicContact CD2-CG1 4.24Å; Y24-V83 HydrophobicContact CE1-CG2 3.9Å; Y24-V83 HydrophobicContact CE2-CG1 3.79Å; Y24-V83 HydrophobicContact CE2-CG2 4.46Å; Y24-L86 HydrophobicContact CD2-CD1 3.89Å; Y24-L86 HydrophobicContact CD2-CD2 4.13Å; Y24-L86 HydrophobicContact CG-CD2 4.07Å
25L98.3Very high97Very high5 Ų551.6 Ų51.63%0.02626%0.263CS..  trans-66.7114.6176.9-63.8160.6000109.9I16 C18 P28 T37 F38 L75 I79I16-L25 PolarHBondContact O-N 3Å; C18-L25 HydrophobicContact CB-CD2 3.81Å; L25-P28 HydrophobicContact CB-CB 4.02Å; L25-P28 HydrophobicContact CD1-CB 4.44Å; L25-T37 HydrophobicContact CD1-CG2 4.24Å; L25-T37 HydrophobicContact CD2-CG2 4.46Å; L25-F38 VanDerWaalsContact CD2-CA 3.43Å; L25-L75 HydrophobicContact CD1-CD2 3.85Å; L25-I79 HydrophobicContact CB-CD1 3.7Å; L25-I79 HydrophobicContact CD1-CD1 3.96Å; L25-I79 HydrophobicContact CG-CD1 4.37Å
26I97Very high97.1Very high22 Ų2247.2 Ų47.211%0.11324%0.243CC..SBendtrans-103.6125.6171.8-59.3-56.3000108.1Y24 C39 K40 L86 E90Y24-I26 PolarHBondContact O-N 3.3Å; Y24-I26 VanDerWaalsContact O-N 3.16Å; I26-C39 PolarHBondContact N-SG 2.98Å; I26-C39 VanDerWaalsContact N-SG 3.4Å; I26-C39 WeakPolarHBondContact O-CA 3.46Å; I26-C39 WeakPolarHBondContact O-CB 3.21Å; I26-K40 PolarHBondContact O-N 2.78Å; I26-L86 HydrophobicContact CD1-CD1 4.36Å; I26-L86 HydrophobicContact CD1-CD2 4.44Å; I26-L86 HydrophobicContact CD1-CG 4.37Å; I26-E90 HydrophobicContact CD1-CB 4.48Å; I26-E90 HydrophobicContact CD1-CG 4.38Å; I26-E90 HydrophobicContact CG2-CG 3.94Å
27K93.8Very high97.2Very high48 Ų4848.4 Ų48.421%0.20925%0.25CC..SBendtrans49.959.8-171.1-65.9161.8-179.1152.10109.7T29 K40 L71 E76K27-T29 PolarHBondContact O-N 3.15Å; K27-T29 PolarHBondContact O-OG1 3.17Å; K27-K40 HydrophobicContact CB-CB 3.82Å; K27-K40 WeakPolarHBondContact O-CB 3.45Å; K27-K40 PolarHBondContact O-N 2.83Å; K27-L71 HydrophobicContact CB-CD2 4.48Å; K27-E76 WeakPolarHBondContact CA-OE1 3.16Å; K27-E76 PolarHBondContact N-OE1 3.31Å
28P97.3Very high97.2Very high1 Ų146.6 Ų46.61%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-50.5125.6-177.119.1-31000110.5L25 T37 F38 D72 L75 E76L25-P28 HydrophobicContact CB-CB 4.02Å; L25-P28 HydrophobicContact CD1-CB 4.44Å; P28-T37 HydrophobicContact CB-CG2 3.62Å; P28-F38 CarbonylContact C-O 3.56Å; P28-F38 WeakPolarHBondContact CA-O 3.45Å; P28-D72 HydrophobicContact CB-CB 4.42Å; P28-D72 WeakPolarHBondContact CG-O 3.5Å; P28-D72 PolarHBondContact O-N 3Å; P28-L75 HydrophobicContact CB-CD2 4.01Å; P28-L75 HydrophobicContact CB-CG 4.4Å; P28-L75 HydrophobicContact CG-CB 4.32Å; P28-L75 HydrophobicContact CG-CG 4.44Å; P28-E76 HydrophobicContact CG-CB 3.66Å; P28-E76 HydrophobicContact CG-CG 4.42Å
29T97.2Very high97.2Very high5 Ų546.8 Ų46.83%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-125121.1-177.2-55.80000108.2K27 T37 F38 K40 I43 L69 R70 L71K27-T29 PolarHBondContact O-N 3.15Å; K27-T29 PolarHBondContact O-OG1 3.17Å; T29-T37 WeakPolarHBondContact O-CA 3.18Å; T29-F38 PolarHBondContact N-O 3.43Å; T29-F38 PolarHBondContact O-N 3.39Å; T29-K40 VanDerWaalsContact OG1-CA 3.24Å; T29-K40 WeakPolarHBondContact OG1-CA 3.38Å; T29-K40 WeakPolarHBondContact OG1-CB 3.37Å; T29-I43 HydrophobicContact CG2-CG2 4Å; T29-L69 HydrophobicContact CG2-CB 3.79Å; T29-L69 HydrophobicContact CG2-CD1 4.17Å; T29-L69 HydrophobicContact CG2-CD2 4.08Å; T29-L69 HydrophobicContact CG2-CG 4.24Å; T29-R70 CarbonylContact C-O 3.54Å; T29-R70 WeakPolarHBondContact CA-O 3.18Å; T29-L71 WeakPolarHBondContact OG1-CD2 3.32Å
30T97.3Very high97.1Very high16 Ų1644.7 Ų44.710%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-101.4133.4-174.3-59.60000110L35 H36 T37 R70T30-L35 HydrophobicContact CG2-CD2 4.36Å; T30-H36 WeakPolarHBondContact CA-O 3.45Å; T30-T37 WeakPolarHBondContact OG1-CG2 3.25Å; T30-T37 PolarHBondContact OG1-OG1 2.99Å; T30-R70 PolarHBondContact N-O 3.32Å; T30-R70 PolarHBondContact O-N 3.27Å
31V96.8Very high96.9Very high0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-78117.9167.9177.50000108.2E33 L35 H36 F38 I43 F47 V60 L69V31-E33 VanDerWaalsContact C-N 3.33Å; V31-E33 HydrophobicContact CG1-CB 4.44Å; V31-E33 PolarHBondContact O-N 2.88Å; V31-L35 VanDerWaalsContact O-CA 3.25Å; V31-L35 WeakPolarHBondContact O-CA 3.41Å; V31-L35 PolarHBondContact O-N 3.34Å; V31-H36 PolarHBondContact N-O 3.48Å; V31-F38 HydrophobicContact CG2-CD2 4.44Å; V31-F38 HydrophobicContact CG2-CE2 4.12Å; V31-I43 HydrophobicContact CG2-CD1 4.39Å; V31-I43 HydrophobicContact CG2-CG1 4.36Å; V31-F47 HydrophobicContact CG2-CZ 4.2Å; V31-V60 HydrophobicContact CG1-CB 4.19Å; V31-V60 HydrophobicContact CG1-CG1 3.61Å; V31-V60 HydrophobicContact CG1-CG2 3.53Å; V31-L69 HydrophobicContact CB-CD2 4.48Å; V31-L69 HydrophobicContact CG2-CD2 3.73Å
32T94.6Very high96.9Very high49 Ų4943.4 Ų43.430%0.30123%0.227SC..THydrogen-bonded Turntrans-66.8-32.7-172.950.70000113.7C34 M68 R70T32-C34 PolarHBondContact O-N 2.88Å; T32-M68 PolarHBondContact N-O 2.88Å; T32-M68 PolarHBondContact OG1-O 2.83Å; T32-R70 HydrophobicContact CG2-CB 4.35Å; T32-R70 HydrophobicContact CG2-CG 3.58Å
33E94.7Very high96.9Very high120 Ų12036.8 Ų36.856%0.56120%0.198SC*.THydrogen-bonded Turntrans-67.5-32.8-176.7-62.2-49.8112.300113.7V31 V60 M68V31-E33 VanDerWaalsContact C-N 3.33Å; V31-E33 HydrophobicContact CG1-CB 4.44Å; V31-E33 PolarHBondContact O-N 2.88Å; E33-V60 WeakPolarHBondContact CG-O 3.45Å; E33-M68 HydrophobicContact CG-CG 4.38Å
34C96.6Very high96.7Very high24 Ų2437.6 Ų37.616%0.16220%0.196CC..THydrogen-bonded Turntrans-127.51.9-175.3700000114.1T32 H36T32-C34 PolarHBondContact O-N 2.88Å; C34-H36 PolarHBondContact O-N 3.46Å; C34-H36 VanDerWaalsContact O-N 3.15Å; C34-H36 PolarHBondContact SG-ND1 2.98Å; C34-H36 VanDerWaalsContact SG-ND1 3.39Å
35L97.2Very high96.6Very high132 Ų13239.7 Ų39.769%0.69121%0.209SC*.THydrogen-bonded Turntrans52.832.4179.9-58.1178.9000114.6T30 V31T30-L35 HydrophobicContact CG2-CD2 4.36Å; V31-L35 VanDerWaalsContact O-CA 3.25Å; V31-L35 WeakPolarHBondContact O-CA 3.41Å; V31-L35 PolarHBondContact O-N 3.34Å
36H98.3Very high96.4Very high53 Ų5342.2 Ų42.225%0.24522%0.221CC..EExtended strand (participates in β ladder)trans-94.6136.3172.7-69.7135.2000110.9T30 V31 C34 F38 R55 C56T30-H36 WeakPolarHBondContact CA-O 3.45Å; V31-H36 PolarHBondContact N-O 3.48Å; C34-H36 PolarHBondContact O-N 3.46Å; C34-H36 VanDerWaalsContact O-N 3.15Å; C34-H36 PolarHBondContact SG-ND1 2.98Å; C34-H36 VanDerWaalsContact SG-ND1 3.39Å; H36-F38 HydrophobicContact CB-CE2 3.79Å; H36-F38 HydrophobicContact CB-CZ 3.95Å; H36-R55 WeakPolarHBondContact CD2-CD 3.42Å; H36-R55 WeakPolarHBondContact NE2-CD 3.48Å; H36-C56 PolarHBondContact ND1-SG 3.15Å; H36-C56 VanDerWaalsContact ND1-SG 3.43Å
37T98.3Very high96.3Very high28 Ų2841.9 Ų41.917%0.17222%0.218CC..EExtended strand (participates in β ladder)trans-114.4139.8-173.3-45.60000112.1L25 P28 T29 T30 L75L25-T37 HydrophobicContact CD1-CG2 4.24Å; L25-T37 HydrophobicContact CD2-CG2 4.46Å; P28-T37 HydrophobicContact CB-CG2 3.62Å; T29-T37 WeakPolarHBondContact O-CA 3.18Å; T30-T37 WeakPolarHBondContact OG1-CG2 3.25Å; T30-T37 PolarHBondContact OG1-OG1 2.99Å; T37-L75 HydrophobicContact CG2-CD2 3.81Å
38F98.6Very high96.3Very high0 Ų046.6 Ų46.60%024%0.241CC..EExtended strand (participates in β ladder)trans-141171.3-177.5-52-88.6000110.3Y19 I20 L25 P28 T29 V31 H36 I43 P54 R55Y19-F38 HydrophobicContact CD1-CE1 4.49Å; I20-F38 HydrophobicContact CD1-CB 4.25Å; I20-F38 HydrophobicContact CD1-CD1 3.7Å; I20-F38 HydrophobicContact CD1-CE1 4.33Å; I20-F38 HydrophobicContact CD1-CG 4.13Å; I20-F38 HydrophobicContact CG1-CD1 3.82Å; I20-F38 HydrophobicContact CG1-CE1 4.23Å; L25-F38 VanDerWaalsContact CD2-CA 3.43Å; P28-F38 CarbonylContact C-O 3.56Å; P28-F38 WeakPolarHBondContact CA-O 3.45Å; T29-F38 PolarHBondContact N-O 3.43Å; T29-F38 PolarHBondContact O-N 3.39Å; V31-F38 HydrophobicContact CG2-CD2 4.44Å; V31-F38 HydrophobicContact CG2-CE2 4.12Å; H36-F38 HydrophobicContact CB-CE2 3.79Å; H36-F38 HydrophobicContact CB-CZ 3.95Å; F38-I43 HydrophobicContact CB-CB 3.92Å; F38-I43 HydrophobicContact CB-CG2 4.44Å; F38-I43 HydrophobicContact CD2-CB 4.25Å; F38-I43 HydrophobicContact CD2-CD1 3.77Å; F38-I43 HydrophobicContact CD2-CG1 4.03Å; F38-I43 HydrophobicContact CE2-CD1 4.02Å; F38-I43 HydrophobicContact CG-CB 4.31Å; F38-I43 HydrophobicContact CG-CD1 4.27Å; F38-P54 HydrophobicContact CE1-CB 3.93Å; F38-P54 HydrophobicContact CE1-CG 4.11Å; F38-P54 HydrophobicContact CZ-CB 4.15Å; F38-P54 HydrophobicContact CZ-CG 4.1Å; F38-R55 HydrophobicContact CE1-CB 4.17Å; F38-R55 HydrophobicContact CZ-CB 3.84Å
39C98.6Very high96Very high5 Ų554 Ų543%0.03428%0.28CS..EExtended strand (participates in β ladder)trans-65.6144167.3-560000109.9C18 I26 T41 C42 I43C18-C39 VanDerWaalsContact CB-SG 3.56Å; C18-C39 PolarHBondContact SG-N 3.26Å; I26-C39 PolarHBondContact N-SG 2.98Å; I26-C39 VanDerWaalsContact N-SG 3.4Å; I26-C39 WeakPolarHBondContact O-CA 3.46Å; I26-C39 WeakPolarHBondContact O-CB 3.21Å; C39-T41 VanDerWaalsContact C-N 3.33Å; C39-T41 PolarHBondContact O-N 2.85Å; C39-C42 HydrophobicContact CB-CB 4.13Å; C39-C42 PolarHBondContact O-N 2.94Å; C39-C42 VanDerWaalsContact O-N 3.15Å; C39-I43 PolarHBondContact O-N 2.9Å
40K95.5Very high95.8Very high54 Ų5455.3 Ų55.324%0.23529%0.29CS..Hα-helixtrans-49.5-52.4177.3-178.4-176.3176.4-177.80112.3I26 K27 T29 C42 V44 L71 C233I26-K40 PolarHBondContact O-N 2.78Å; K27-K40 HydrophobicContact CB-CB 3.82Å; K27-K40 WeakPolarHBondContact O-CB 3.45Å; K27-K40 PolarHBondContact O-N 2.83Å; T29-K40 VanDerWaalsContact OG1-CA 3.24Å; T29-K40 WeakPolarHBondContact OG1-CA 3.38Å; T29-K40 WeakPolarHBondContact OG1-CB 3.37Å; K40-C42 PolarHBondContact O-N 2.85Å; K40-V44 HydrophobicContact CG-CG2 4.35Å; K40-V44 WeakPolarHBondContact O-CB 3.19Å; K40-V44 WeakPolarHBondContact O-CG2 3.32Å; K40-V44 PolarHBondContact O-N 3.07Å; K40-L71 HydrophobicContact CD-CD2 4.43Å; K40-C233 PolarHBondContact NZ-SG 2.95Å; K40-C233 VanDerWaalsContact NZ-SG 3.44Å
41T94.4Very high95.7Very high89 Ų8956.8 Ų56.855%0.54630%0.297SS..Hα-helixtrans-62.9-42.8-177.849.30000111.7C39 Q45C39-T41 VanDerWaalsContact C-N 3.33Å; C39-T41 PolarHBondContact O-N 2.85Å; T41-Q45 VanDerWaalsContact O-CB 3.29Å; T41-Q45 WeakPolarHBondContact O-CB 3.49Å; T41-Q45 WeakPolarHBondContact O-CG 3.34Å; T41-Q45 PolarHBondContact O-N 3.08Å
42C97.4Very high95.7Very high18 Ų1859.7 Ų59.712%0.12231%0.313CS..Hα-helixtrans-64.5-45.8-178.6-60.40000112.9I20 C39 K40 H46I20-C42 HydrophobicContact CB-CB 4Å; I20-C42 HydrophobicContact CD1-CB 3.59Å; I20-C42 HydrophobicContact CG1-CB 4.41Å; I20-C42 HydrophobicContact CG2-CB 4.06Å; C39-C42 HydrophobicContact CB-CB 4.13Å; C39-C42 PolarHBondContact O-N 2.94Å; C39-C42 VanDerWaalsContact O-N 3.15Å; K40-C42 PolarHBondContact O-N 2.85Å; C42-H46 WeakPolarHBondContact O-CB 3.42Å; C42-H46 PolarHBondContact O-N 3.09Å
43I97.1Very high95.8Very high0 Ų057.5 Ų57.50%030%0.299CS..Hα-helixtrans-75-35.5-178.1-167.659.9000112.3T29 V31 F38 C39 H46 F47 P54 L69T29-I43 HydrophobicContact CG2-CG2 4Å; V31-I43 HydrophobicContact CG2-CD1 4.39Å; V31-I43 HydrophobicContact CG2-CG1 4.36Å; F38-I43 HydrophobicContact CB-CB 3.92Å; F38-I43 HydrophobicContact CB-CG2 4.44Å; F38-I43 HydrophobicContact CD2-CB 4.25Å; F38-I43 HydrophobicContact CD2-CD1 3.77Å; F38-I43 HydrophobicContact CD2-CG1 4.03Å; F38-I43 HydrophobicContact CE2-CD1 4.02Å; F38-I43 HydrophobicContact CG-CB 4.31Å; F38-I43 HydrophobicContact CG-CD1 4.27Å; C39-I43 PolarHBondContact O-N 2.9Å; I43-H46 PolarHBondContact O-N 3.15Å; I43-F47 HydrophobicContact CD1-CD1 4.42Å; I43-F47 HydrophobicContact CD1-CE1 3.94Å; I43-F47 HydrophobicContact CD1-CE2 4.1Å; I43-F47 HydrophobicContact CD1-CZ 3.74Å; I43-F47 HydrophobicContact CG1-CD2 4.21Å; I43-F47 HydrophobicContact CG1-CE2 3.85Å; I43-F47 HydrophobicContact CG1-CZ 4.01Å; I43-F47 WeakPolarHBondContact O-CG 3.37Å; I43-F47 PolarHBondContact O-N 3.32Å; I43-F47 VanDerWaalsContact O-N 3.08Å; I43-P54 HydrophobicContact CD1-CG 3.73Å; I43-L69 HydrophobicContact CG1-CD1 4.38Å; I43-L69 HydrophobicContact CG1-CD2 3.98Å; I43-L69 HydrophobicContact CG2-CD1 3.98Å; I43-L69 HydrophobicContact CG2-CD2 4.37Å
44V94.4Very high95.9Very high48 Ų4853.3 Ų53.329%0.29128%0.283SS..Hα-helixtrans-64.2-45.2175.5171.40000110.4K40 F47 E48 L66 L69K40-V44 HydrophobicContact CG-CG2 4.35Å; K40-V44 WeakPolarHBondContact O-CB 3.19Å; K40-V44 WeakPolarHBondContact O-CG2 3.32Å; K40-V44 PolarHBondContact O-N 3.07Å; V44-F47 PolarHBondContact O-N 3.05Å; V44-E48 PolarHBondContact O-N 3.08Å; V44-L66 HydrophobicContact CB-CD2 4.47Å; V44-L66 HydrophobicContact CG1-CD2 4.27Å; V44-L66 HydrophobicContact CG2-CD2 4.13Å; V44-L69 HydrophobicContact CG2-CD1 4.22Å
45Q94.8Very high95.9Very high116 Ų11657.2 Ų57.254%0.54229%0.294SS..Hα-helixtrans-62.8-42.3175.9-75.7175-24.300112.2T41 F47 E48T41-Q45 VanDerWaalsContact O-CB 3.29Å; T41-Q45 WeakPolarHBondContact O-CB 3.49Å; T41-Q45 WeakPolarHBondContact O-CG 3.34Å; T41-Q45 PolarHBondContact O-N 3.08Å; Q45-F47 PolarHBondContact O-N 3.43Å; Q45-E48 WeakPolarHBondContact O-CB 3.17Å; Q45-E48 PolarHBondContact O-N 3.32Å; Q45-E48 VanDerWaalsContact O-N 3.11Å
46H95.6Very high95.9Very high59 Ų5953.4 Ų53.427%0.27328%0.278SS..Hα-helixtrans-60.1-36.9176.7178.186.6000112.3C42 I43 E48 D49 S50 D52 P54C42-H46 WeakPolarHBondContact O-CB 3.42Å; C42-H46 PolarHBondContact O-N 3.09Å; I43-H46 PolarHBondContact O-N 3.15Å; H46-E48 PolarHBondContact O-N 3.23Å; H46-D49 PolarHBondContact O-N 3.26Å; H46-S50 PolarHBondContact O-N 3.41Å; H46-S50 VanDerWaalsContact O-N 3.09Å; H46-D52 PolarHBondContact CD2-O 3.28Å; H46-D52 PolarHBondContact NE2-O 3.35Å; H46-P54 HydrophobicContact CB-CG 4.36Å
47F94.4Very high95.8Very high15 Ų1553.2 Ų53.27%0.06629%0.29CS..Hα-helixtrans-75.9-1.3177.9-73.2-14.8000115.3V31 I43 V44 Q45 D49 S50 V60 P65 L66 L69V31-F47 HydrophobicContact CG2-CZ 4.2Å; I43-F47 HydrophobicContact CD1-CD1 4.42Å; I43-F47 HydrophobicContact CD1-CE1 3.94Å; I43-F47 HydrophobicContact CD1-CE2 4.1Å; I43-F47 HydrophobicContact CD1-CZ 3.74Å; I43-F47 HydrophobicContact CG1-CD2 4.21Å; I43-F47 HydrophobicContact CG1-CE2 3.85Å; I43-F47 HydrophobicContact CG1-CZ 4.01Å; I43-F47 WeakPolarHBondContact O-CG 3.37Å; I43-F47 PolarHBondContact O-N 3.32Å; I43-F47 VanDerWaalsContact O-N 3.08Å; V44-F47 PolarHBondContact O-N 3.05Å; Q45-F47 PolarHBondContact O-N 3.43Å; F47-D49 VanDerWaalsContact C-N 3.31Å; F47-S50 VanDerWaalsContact CA-O 3.31Å; F47-S50 WeakPolarHBondContact CA-O 3.31Å; F47-S50 WeakPolarHBondContact CD1-O 3.46Å; F47-V60 HydrophobicContact CE1-CG2 4.26Å; F47-V60 HydrophobicContact CE2-CG1 4.42Å; F47-V60 HydrophobicContact CZ-CB 4.09Å; F47-V60 HydrophobicContact CZ-CG1 4.14Å; F47-V60 HydrophobicContact CZ-CG2 3.8Å; F47-P65 HydrophobicContact CB-CB 4.46Å; F47-P65 HydrophobicContact CB-CG 3.76Å; F47-P65 HydrophobicContact CD1-CB 4.06Å; F47-P65 HydrophobicContact CD1-CG 4.08Å; F47-P65 HydrophobicContact CD2-CB 3.63Å; F47-P65 HydrophobicContact CD2-CG 3.85Å; F47-P65 HydrophobicContact CE1-CB 4.16Å; F47-P65 HydrophobicContact CE2-CB 3.73Å; F47-P65 HydrophobicContact CE2-CG 4.44Å; F47-P65 HydrophobicContact CG-CB 3.82Å; F47-P65 HydrophobicContact CG-CG 3.65Å; F47-P65 HydrophobicContact CZ-CB 4.03Å; F47-L66 HydrophobicContact CB-CD2 4.27Å; F47-L66 HydrophobicContact CD2-CD2 4.21Å; F47-L69 HydrophobicContact CD2-CD1 3.91Å; F47-L69 HydrophobicContact CD2-CD2 4.43Å; F47-L69 HydrophobicContact CD2-CG 4.29Å; F47-L69 HydrophobicContact CE2-CD1 3.97Å; F47-L69 HydrophobicContact CE2-CD2 3.65Å; F47-L69 HydrophobicContact CE2-CG 3.9Å; F47-L69 HydrophobicContact CZ-CD2 4.5Å
48E92.5Very high95.6Very high146 Ų14656.1 Ų56.168%0.68231%0.305SS*.Hα-helixtrans-72.8-29.4166.7-64.1173.8-178.500111V44 Q45 H46V44-E48 PolarHBondContact O-N 3.08Å; Q45-E48 WeakPolarHBondContact O-CB 3.17Å; Q45-E48 PolarHBondContact O-N 3.32Å; Q45-E48 VanDerWaalsContact O-N 3.11Å; H46-E48 PolarHBondContact O-N 3.23Å
49D91.9Very high95.3Very high156 Ų15661.9 Ų61.983%0.83433%0.332SS*.Hα-helixtrans-115.4-18.4-173.3-64.4-41.2000114.5H46 F47H46-D49 PolarHBondContact O-N 3.26Å; F47-D49 VanDerWaalsContact C-N 3.31Å
50S93.4Very high95Very high33 Ų3362 Ų6223%0.23133%0.332CS..  trans-146.2144.7-175.1173.70000112H46 F47 D52H46-S50 PolarHBondContact O-N 3.41Å; H46-S50 VanDerWaalsContact O-N 3.09Å; F47-S50 VanDerWaalsContact CA-O 3.31Å; F47-S50 WeakPolarHBondContact CA-O 3.31Å; F47-S50 WeakPolarHBondContact CD1-O 3.46Å; S50-D52 PolarHBondContact OG-N 3.05Å; S50-D52 VanDerWaalsContact OG-N 3.17Å
51N93.9Very high94.8Very high47 Ų4761.9 Ų61.925%0.25133%0.332SS..SBendtrans-95.87.5174.1-69.7-7.8000113.2V60 E62 P65N51-V60 PolarHBondContact O-N 2.78Å; N51-E62 PolarHBondContact ND2-O 3.16Å; N51-E62 VanDerWaalsContact ND2-O 3.08Å; N51-P65 HydrophobicContact CB-CG 4.5Å; N51-P65 WeakPolarHBondContact OD1-CD 3.38Å; N51-P65 WeakPolarHBondContact OD1-CG 3.42Å
52D96.8Very high94.2Very high62 Ų6265.3 Ų65.333%0.33234%0.342SS..BIsolated β-bridgetrans-103.1144.1-172.7-56.8-31.6000111.5H46 S50 P54 N58 Q59H46-D52 PolarHBondContact CD2-O 3.28Å; H46-D52 PolarHBondContact NE2-O 3.35Å; S50-D52 PolarHBondContact OG-N 3.05Å; S50-D52 VanDerWaalsContact OG-N 3.17Å; D52-P54 WeakPolarHBondContact O-CD 3.45Å; D52-N58 WeakPolarHBondContact CA-O 3.45Å; D52-Q59 WeakPolarHBondContact OD1-CA 3.35Å
53C97.7Very high93.4Very high2 Ų270 Ų701%0.01437%0.37CS..  trans-62.6125.7176.21800000110.6R55 C56 G57 N58 V60C53-R55 PolarHBondContact O-N 3.06Å; C53-C56 PolarHBondContact O-N 3.3Å; C53-C56 VanDerWaalsContact SG-SG 3.66Å; C53-G57 WeakPolarHBondContact O-CA 3.29Å; C53-G57 PolarHBondContact O-N 3.47Å; C53-N58 PolarHBondContact N-O 2.96Å; C53-V60 HydrophobicContact CB-CG2 4.07Å
54P97.2Very high93Very high33 Ų3372.6 Ų72.621%0.21438%0.384CS..THydrogen-bonded Turntrans-59.9-20-178.4-24.630.8000115.5Y19 I20 F38 I43 H46 D52Y19-P54 VanDerWaalsContact CE1-O 3.24Å; Y19-P54 WeakPolarHBondContact CE1-O 3.38Å; I20-P54 HydrophobicContact CD1-CB 4.3Å; I20-P54 HydrophobicContact CD1-CG 3.92Å; I20-P54 HydrophobicContact CG1-CB 4.05Å; I20-P54 HydrophobicContact CG1-CG 4.23Å; F38-P54 HydrophobicContact CE1-CB 3.93Å; F38-P54 HydrophobicContact CE1-CG 4.11Å; F38-P54 HydrophobicContact CZ-CB 4.15Å; F38-P54 HydrophobicContact CZ-CG 4.1Å; I43-P54 HydrophobicContact CD1-CG 3.73Å; H46-P54 HydrophobicContact CB-CG 4.36Å; D52-P54 WeakPolarHBondContact O-CD 3.45Å
55R96.6Very high92.5Very high106 Ų10670.6 Ų70.640%0.437%0.372SS..THydrogen-bonded Turntrans-96.4-40.9-174.9179.8177.7-88.6-105.29.3113.1Y19 H36 F38 C53Y19-R55 HydrophobicContact CD1-CB 4.26Å; Y19-R55 HydrophobicContact CG-CB 4.4Å; H36-R55 WeakPolarHBondContact CD2-CD 3.42Å; H36-R55 WeakPolarHBondContact NE2-CD 3.48Å; F38-R55 HydrophobicContact CE1-CB 4.17Å; F38-R55 HydrophobicContact CZ-CB 3.84Å; C53-R55 PolarHBondContact O-N 3.06Å
56C97.2Very high92.2Very high51 Ų5169 Ų6935%0.34537%0.367SS..THydrogen-bonded Turntrans-117.4-9.3-175.560.50000114.6H36 C53 N58H36-C56 PolarHBondContact ND1-SG 3.15Å; H36-C56 VanDerWaalsContact ND1-SG 3.43Å; C53-C56 PolarHBondContact O-N 3.3Å; C53-C56 VanDerWaalsContact SG-SG 3.66Å; C56-N58 PolarHBondContact O-N 2.93Å
57G95Very high91.8Very high49 Ų4971.4 Ų71.451%0.50538%0.378SS..  trans73.26.3-179.100000114.8C53 Q59C53-G57 WeakPolarHBondContact O-CA 3.29Å; C53-G57 PolarHBondContact O-N 3.47Å; G57-Q59 PolarHBondContact O-N 3.15Å
58N94.1Very high91.5Very high90 Ų9072.9 Ų72.948%0.48139%0.386SS..  trans-69.4132.3175.6-67.8-10000110D52 C53 C56 V60D52-N58 WeakPolarHBondContact CA-O 3.45Å; C53-N58 PolarHBondContact N-O 2.96Å; C56-N58 PolarHBondContact O-N 2.93Å; N58-V60 PolarHBondContact O-N 2.78Å
59Q93.9Very high91.5Very high121 Ų12167 Ų6757%0.56536%0.359SS*.BIsolated β-bridgetrans-63.6121.7170.6-173.4172.861.200109.5D52 G57D52-Q59 WeakPolarHBondContact OD1-CA 3.35Å; G57-Q59 PolarHBondContact O-N 3.15Å
60V91.4Very high91.5Very high8 Ų866.1 Ų66.15%0.04834%0.344CS..  trans-83.3-37.3-173.5173.40000111.5V31 E33 F47 N51 C53 N58 P65 M68V31-V60 HydrophobicContact CG1-CB 4.19Å; V31-V60 HydrophobicContact CG1-CG1 3.61Å; V31-V60 HydrophobicContact CG1-CG2 3.53Å; E33-V60 WeakPolarHBondContact CG-O 3.45Å; F47-V60 HydrophobicContact CE1-CG2 4.26Å; F47-V60 HydrophobicContact CE2-CG1 4.42Å; F47-V60 HydrophobicContact CZ-CB 4.09Å; F47-V60 HydrophobicContact CZ-CG1 4.14Å; F47-V60 HydrophobicContact CZ-CG2 3.8Å; N51-V60 PolarHBondContact O-N 2.78Å; C53-V60 HydrophobicContact CB-CG2 4.07Å; N58-V60 PolarHBondContact O-N 2.78Å; V60-P65 HydrophobicContact CB-CB 4.25Å; V60-P65 HydrophobicContact CG1-CB 4.22Å; V60-M68 HydrophobicContact CG1-CB 3.62Å; V60-M68 HydrophobicContact CG1-CG 4.27Å
61H91.1Very high91.3Very high51 Ų5169 Ų6924%0.23636%0.356CS..  trans-160153.5176.1-165.4-83.7000109.5T63 N64 P65 M68H61-T63 PolarHBondContact CE1-OG1 3.36Å; H61-T63 VanDerWaalsContact CE1-OG1 3.25Å; H61-T63 PolarHBondContact ND1-N 2.88Å; H61-T63 PolarHBondContact ND1-OG1 3.19Å; H61-N64 PolarHBondContact ND1-N 3.4Å; H61-P65 HydrophobicContact CB-CB 4.38Å; H61-M68 HydrophobicContact CB-CG 4.42Å
62E81.1Confident91.3Very high160 Ų16069.2 Ų69.275%0.74836%0.357SS*.SBendtrans-68.4-47.4-179.4-62.9-179.4175.400112.2N51N51-E62 PolarHBondContact ND2-O 3.16Å; N51-E62 VanDerWaalsContact ND2-O 3.08Å
63T82.3Confident91.1Very high116 Ų11671 Ų7171%0.71237%0.367SS*.SBendtrans-113.8-43.5-173.550.60000115.7H61H61-T63 PolarHBondContact CE1-OG1 3.36Å; H61-T63 VanDerWaalsContact CE1-OG1 3.25Å; H61-T63 PolarHBondContact ND1-N 2.88Å; H61-T63 PolarHBondContact ND1-OG1 3.19Å
64N86.9Confident90.9Very high56 Ų5675.6 Ų75.630%0.29940%0.395SS..  trans-132.188.5-175.8-174.110.6000112.3H61 L66 E67H61-N64 PolarHBondContact ND1-N 3.4Å; N64-L66 PolarHBondContact O-N 3.3Å; N64-L66 WeakPolarHBondContact OD1-CB 3.42Å; N64-L66 PolarHBondContact OD1-N 3.33Å; N64-E67 WeakPolarHBondContact ND2-CG 3.31Å; N64-E67 PolarHBondContact ND2-OE1 3.48Å; N64-E67 PolarHBondContact O-N 2.85Å
65P83.9Confident90.8Very high6 Ų675.5 Ų75.54%0.03939%0.392CS..G310 helixtrans-66.3-17.1-178.130.9-39.7000113.9F47 N51 V60 H61 E67 M68F47-P65 HydrophobicContact CB-CB 4.46Å; F47-P65 HydrophobicContact CB-CG 3.76Å; F47-P65 HydrophobicContact CD1-CB 4.06Å; F47-P65 HydrophobicContact CD1-CG 4.08Å; F47-P65 HydrophobicContact CD2-CB 3.63Å; F47-P65 HydrophobicContact CD2-CG 3.85Å; F47-P65 HydrophobicContact CE1-CB 4.16Å; F47-P65 HydrophobicContact CE2-CB 3.73Å; F47-P65 HydrophobicContact CE2-CG 4.44Å; F47-P65 HydrophobicContact CG-CB 3.82Å; F47-P65 HydrophobicContact CG-CG 3.65Å; F47-P65 HydrophobicContact CZ-CB 4.03Å; N51-P65 HydrophobicContact CB-CG 4.5Å; N51-P65 WeakPolarHBondContact OD1-CD 3.38Å; N51-P65 WeakPolarHBondContact OD1-CG 3.42Å; V60-P65 HydrophobicContact CB-CB 4.25Å; V60-P65 HydrophobicContact CG1-CB 4.22Å; H61-P65 HydrophobicContact CB-CB 4.38Å; P65-E67 VanDerWaalsContact C-N 3.26Å; P65-E67 PolarHBondContact O-N 3Å; P65-M68 PolarHBondContact O-N 3.45Å
66L88.5Confident90.8Very high82 Ų8272.4 Ų72.443%0.42938%0.383SS..G310 helixtrans-66.6-25.4177.6-60.7175.6000113.1V44 F47 N64 M68 L69V44-L66 HydrophobicContact CB-CD2 4.47Å; V44-L66 HydrophobicContact CG1-CD2 4.27Å; V44-L66 HydrophobicContact CG2-CD2 4.13Å; F47-L66 HydrophobicContact CB-CD2 4.27Å; F47-L66 HydrophobicContact CD2-CD2 4.21Å; N64-L66 PolarHBondContact O-N 3.3Å; N64-L66 WeakPolarHBondContact OD1-CB 3.42Å; N64-L66 PolarHBondContact OD1-N 3.33Å; L66-M68 PolarHBondContact O-N 3.25Å; L66-L69 HydrophobicContact CD2-CD1 3.85Å; L66-L69 PolarHBondContact O-N 3.43Å
67E88.1Confident90.6Very high110 Ų11074.9 Ų74.951%0.51439%0.389SS..G310 helixtrans-67.4-22.5177.8-81177.9-154.500113.2N64 P65 R70N64-E67 WeakPolarHBondContact ND2-CG 3.31Å; N64-E67 PolarHBondContact ND2-OE1 3.48Å; N64-E67 PolarHBondContact O-N 2.85Å; P65-E67 VanDerWaalsContact C-N 3.26Å; P65-E67 PolarHBondContact O-N 3Å; E67-R70 PolarHBondContact O-NH1 2.99Å; E67-R70 PolarHBondContact O-NH2 3.02Å
68M89Confident90.6Very high46 Ų4676.4 Ų76.423%0.22739%0.385CS..G310 helixtrans-96.412.3179.2-60.1-53.3164.600112.9T32 E33 V60 H61 P65 L66T32-M68 PolarHBondContact N-O 2.88Å; T32-M68 PolarHBondContact OG1-O 2.83Å; E33-M68 HydrophobicContact CG-CG 4.38Å; V60-M68 HydrophobicContact CG1-CB 3.62Å; V60-M68 HydrophobicContact CG1-CG 4.27Å; H61-M68 HydrophobicContact CB-CG 4.42Å; P65-M68 PolarHBondContact O-N 3.45Å; L66-M68 PolarHBondContact O-N 3.25Å
69L92.4Very high90.7Very high21 Ų2172.1 Ų72.111%0.1136%0.362CS..EExtended strand (participates in β ladder)trans-95.8133.9174.2-66.4-174.8000111.7T29 V31 I43 V44 F47 L66T29-L69 HydrophobicContact CG2-CB 3.79Å; T29-L69 HydrophobicContact CG2-CD1 4.17Å; T29-L69 HydrophobicContact CG2-CD2 4.08Å; T29-L69 HydrophobicContact CG2-CG 4.24Å; V31-L69 HydrophobicContact CB-CD2 4.48Å; V31-L69 HydrophobicContact CG2-CD2 3.73Å; I43-L69 HydrophobicContact CG1-CD1 4.38Å; I43-L69 HydrophobicContact CG1-CD2 3.98Å; I43-L69 HydrophobicContact CG2-CD1 3.98Å; I43-L69 HydrophobicContact CG2-CD2 4.37Å; V44-L69 HydrophobicContact CG2-CD1 4.22Å; F47-L69 HydrophobicContact CD2-CD1 3.91Å; F47-L69 HydrophobicContact CD2-CD2 4.43Å; F47-L69 HydrophobicContact CD2-CG 4.29Å; F47-L69 HydrophobicContact CE2-CD1 3.97Å; F47-L69 HydrophobicContact CE2-CD2 3.65Å; F47-L69 HydrophobicContact CE2-CG 3.9Å; F47-L69 HydrophobicContact CZ-CD2 4.5Å; L66-L69 HydrophobicContact CD2-CD1 3.85Å; L66-L69 PolarHBondContact O-N 3.43Å
70R90.1Very high90.7Very high139 Ų13967.9 Ų67.953%0.52534%0.342SS..EExtended strand (participates in β ladder)trans-129.6137.5172.7-63.2-66.6177.5-85.2-6.2110.1T29 T30 T32 E67T29-R70 CarbonylContact C-O 3.54Å; T29-R70 WeakPolarHBondContact CA-O 3.18Å; T30-R70 PolarHBondContact N-O 3.32Å; T30-R70 PolarHBondContact O-N 3.27Å; T32-R70 HydrophobicContact CG2-CB 4.35Å; T32-R70 HydrophobicContact CG2-CG 3.58Å; E67-R70 PolarHBondContact O-NH1 2.99Å; E67-R70 PolarHBondContact O-NH2 3.02Å
71L90.5Very high90.9Very high94 Ų9475.4 Ų75.449%0.49237%0.374SS..EExtended strand (participates in β ladder)trans-71.6133.1170.8-72170.5000109.5K27 T29 K40K27-L71 HydrophobicContact CB-CD2 4.48Å; T29-L71 WeakPolarHBondContact OG1-CD2 3.32Å; K40-L71 HydrophobicContact CD-CD2 4.43Å
72D94.1Very high91Very high51 Ų5175.7 Ų75.727%0.27338%0.377SS..  trans-101.180.4177.4-165.4-26000110P28 T74 L75 E76P28-D72 HydrophobicContact CB-CB 4.42Å; P28-D72 WeakPolarHBondContact CG-O 3.5Å; P28-D72 PolarHBondContact O-N 3Å; D72-T74 PolarHBondContact O-N 3.33Å; D72-T74 PolarHBondContact OD1-N 3.16Å; D72-L75 HydrophobicContact CB-CB 4Å; D72-L75 PolarHBondContact O-N 3.41Å; D72-L75 WeakPolarHBondContact OD1-CB 3.47Å; D72-L75 PolarHBondContact OD1-N 3.43Å; D72-E76 PolarHBondContact O-N 3.47Å
73N92.7Very high91.8Very high100 Ų10068.6 Ų68.654%0.53534%0.344SS..Hα-helixtrans-62.4-31.3-179.1-60.7-29.9000111.8E76 E77N73-E76 PolarHBondContact O-N 3.12Å; N73-E77 WeakPolarHBondContact O-CG 3.33Å; N73-E77 PolarHBondContact O-N 3.18Å
74T92.1Very high92.3Very high97 Ų9768 Ų6860%0.59534%0.342SS*.Hα-helixtrans-68.1-47.2178.5-58.50000110.8D72 E76 E77 I78D72-T74 PolarHBondContact O-N 3.33Å; D72-T74 PolarHBondContact OD1-N 3.16Å; T74-E76 VanDerWaalsContact C-N 3.29Å; T74-E76 PolarHBondContact O-N 3.11Å; T74-E77 PolarHBondContact O-N 3.25Å; T74-I78 HydrophobicContact CG2-CD1 4.02Å; T74-I78 VanDerWaalsContact O-CG1 3.29Å; T74-I78 WeakPolarHBondContact O-CG1 3.35Å; T74-I78 PolarHBondContact O-N 3.27Å
75L96.2Very high92.5Very high31 Ų3166.7 Ų66.716%0.16234%0.342CS..Hα-helixtrans-62.7-39.3175-175.661.1000111.1L25 P28 T37 D72 E77 I78 I79L25-L75 HydrophobicContact CD1-CD2 3.85Å; P28-L75 HydrophobicContact CB-CD2 4.01Å; P28-L75 HydrophobicContact CB-CG 4.4Å; P28-L75 HydrophobicContact CG-CB 4.32Å; P28-L75 HydrophobicContact CG-CG 4.44Å; T37-L75 HydrophobicContact CG2-CD2 3.81Å; D72-L75 HydrophobicContact CB-CB 4Å; D72-L75 PolarHBondContact O-N 3.41Å; D72-L75 WeakPolarHBondContact OD1-CB 3.47Å; D72-L75 PolarHBondContact OD1-N 3.43Å; L75-E77 PolarHBondContact O-N 3.42Å; L75-I78 PolarHBondContact O-N 3.37Å; L75-I79 HydrophobicContact CD1-CD1 4.2Å; L75-I79 HydrophobicContact CD1-CG1 4.23Å; L75-I79 HydrophobicContact CD2-CD1 4.44Å; L75-I79 HydrophobicContact CG-CD1 3.85Å; L75-I79 HydrophobicContact CG-CG1 4.3Å; L75-I79 WeakPolarHBondContact O-CB 3.29Å; L75-I79 WeakPolarHBondContact O-CG1 3.32Å; L75-I79 PolarHBondContact O-N 3.37Å
76E95.6Very high93Very high42 Ų4266.7 Ų66.720%0.19634%0.342CS..Hα-helixtrans-57.6-49.2175.2-171.8174.9-106.600112K27 P28 D72 N73 T74 I78 I79 F80K27-E76 WeakPolarHBondContact CA-OE1 3.16Å; K27-E76 PolarHBondContact N-OE1 3.31Å; P28-E76 HydrophobicContact CG-CB 3.66Å; P28-E76 HydrophobicContact CG-CG 4.42Å; D72-E76 PolarHBondContact O-N 3.47Å; N73-E76 PolarHBondContact O-N 3.12Å; T74-E76 VanDerWaalsContact C-N 3.29Å; T74-E76 PolarHBondContact O-N 3.11Å; E76-I78 VanDerWaalsContact C-N 3.31Å; E76-I78 PolarHBondContact O-N 3.42Å; E76-I79 PolarHBondContact O-N 3.32Å; E76-F80 HydrophobicContact CG-CD2 3.7Å; E76-F80 HydrophobicContact CG-CE2 3.31Å; E76-F80 HydrophobicContact CG-CZ 4.09Å; E76-F80 VanDerWaalsContact O-CD2 3.31Å; E76-F80 WeakPolarHBondContact O-CD2 3.21Å; E76-F80 PolarHBondContact O-N 3.33Å
77E93.4Very high93.1Very high103 Ų10368.5 Ų68.548%0.48134%0.343SS..Hα-helixtrans-61-39.9176.9-76.2-174.5-158.900112.7N73 T74 L75 K81N73-E77 WeakPolarHBondContact O-CG 3.33Å; N73-E77 PolarHBondContact O-N 3.18Å; T74-E77 PolarHBondContact O-N 3.25Å; L75-E77 PolarHBondContact O-N 3.42Å; E77-K81 WeakPolarHBondContact O-CG 3.35Å; E77-K81 PolarHBondContact O-N 3.04Å; E77-K81 VanDerWaalsContact O-N 3.12Å; E77-K81 IonicContact OE2-NZ 3.31Å
78I95.1Very high93.3Very high80 Ų8068.7 Ų68.741%0.4134%0.344SS..Hα-helixtrans-63.2-47.7176.7-70164.2000110T74 L75 E76 F80 K81 L82T74-I78 HydrophobicContact CG2-CD1 4.02Å; T74-I78 VanDerWaalsContact O-CG1 3.29Å; T74-I78 WeakPolarHBondContact O-CG1 3.35Å; T74-I78 PolarHBondContact O-N 3.27Å; L75-I78 PolarHBondContact O-N 3.37Å; E76-I78 VanDerWaalsContact C-N 3.31Å; E76-I78 PolarHBondContact O-N 3.42Å; I78-F80 PolarHBondContact O-N 2.73Å; I78-K81 PolarHBondContact O-N 2.99Å; I78-K81 VanDerWaalsContact O-N 3.15Å; I78-L82 HydrophobicContact CG2-CD1 3.64Å; I78-L82 HydrophobicContact CG2-CG 4.16Å; I78-L82 WeakPolarHBondContact O-CB 3.41Å; I78-L82 WeakPolarHBondContact O-CG 3.39Å; I78-L82 PolarHBondContact O-N 3.39Å
79I96.5Very high93.5Very high1 Ų172.1 Ų72.11%0.00536%0.359CS..Hα-helixtrans-59.9-46.3-179.8-69.7174.9000110.8I16 L25 L75 E76 K81 L82 V83 L86I16-I79 HydrophobicContact CB-CD1 4.05Å; I16-I79 HydrophobicContact CB-CG1 3.83Å; I16-I79 HydrophobicContact CG2-CD1 4.29Å; I16-I79 HydrophobicContact CG2-CG1 3.7Å; L25-I79 HydrophobicContact CB-CD1 3.7Å; L25-I79 HydrophobicContact CD1-CD1 3.96Å; L25-I79 HydrophobicContact CG-CD1 4.37Å; L75-I79 HydrophobicContact CD1-CD1 4.2Å; L75-I79 HydrophobicContact CD1-CG1 4.23Å; L75-I79 HydrophobicContact CD2-CD1 4.44Å; L75-I79 HydrophobicContact CG-CD1 3.85Å; L75-I79 HydrophobicContact CG-CG1 4.3Å; L75-I79 WeakPolarHBondContact O-CB 3.29Å; L75-I79 WeakPolarHBondContact O-CG1 3.32Å; L75-I79 PolarHBondContact O-N 3.37Å; E76-I79 PolarHBondContact O-N 3.32Å; I79-K81 VanDerWaalsContact C-N 3.26Å; I79-K81 PolarHBondContact O-N 3.25Å; I79-L82 PolarHBondContact O-N 3.07Å; I79-L82 VanDerWaalsContact O-N 3.16Å; I79-V83 HydrophobicContact CG2-CG2 4.41Å; I79-V83 PolarHBondContact O-N 2.99Å; I79-L86 HydrophobicContact CG2-CD2 3.68Å
80F94.2Very high93.4Very high32 Ų3273.1 Ų73.114%0.1436%0.364CS..Hα-helixtrans-67.1-25.1178.8-70.3-41.2000113.8E76 I78 L86 R87E76-F80 HydrophobicContact CG-CD2 3.7Å; E76-F80 HydrophobicContact CG-CE2 3.31Å; E76-F80 HydrophobicContact CG-CZ 4.09Å; E76-F80 VanDerWaalsContact O-CD2 3.31Å; E76-F80 WeakPolarHBondContact O-CD2 3.21Å; E76-F80 PolarHBondContact O-N 3.33Å; I78-F80 PolarHBondContact O-N 2.73Å; F80-L86 HydrophobicContact CD1-CB 4.26Å; F80-L86 HydrophobicContact CD1-CD2 4.25Å; F80-L86 HydrophobicContact CD1-CG 4.28Å; F80-L86 HydrophobicContact CE1-CD2 4.3Å; F80-L86 HydrophobicContact CE1-CG 4.17Å; F80-R87 HydrophobicContact CD1-CB 3.75Å; F80-R87 HydrophobicContact CE1-CB 3.89Å; F80-R87 HydrophobicContact CG-CB 4.12Å; F80-R87 HydrophobicContact CZ-CB 4.33Å
81K94.3Very high93.1Very high166 Ų16671.1 Ų71.172%0.72236%0.363SS*.Hα-helixtrans-78.8-33.9171.6-73.8169.5-179.3164.30112.3E77 I78 I79E77-K81 WeakPolarHBondContact O-CG 3.35Å; E77-K81 PolarHBondContact O-N 3.04Å; E77-K81 VanDerWaalsContact O-N 3.12Å; E77-K81 IonicContact OE2-NZ 3.31Å; I78-K81 PolarHBondContact O-N 2.99Å; I78-K81 VanDerWaalsContact O-N 3.15Å; I79-K81 VanDerWaalsContact C-N 3.26Å; I79-K81 PolarHBondContact O-N 3.25Å
82L94.8Very high93Very high56 Ų5670.8 Ų70.829%0.29336%0.358SS..Hα-helixtrans-78.6-35.6-180-71.3176.1000113F12 I16 I78 I79 P84F12-L82 HydrophobicContact CB-CD1 4.31Å; F12-L82 HydrophobicContact CD1-CD1 4.19Å; F12-L82 HydrophobicContact CD2-CD2 4.3Å; F12-L82 HydrophobicContact CE1-CD2 4.39Å; F12-L82 HydrophobicContact CE2-CD2 4.16Å; F12-L82 HydrophobicContact CG-CD1 4.12Å; F12-L82 HydrophobicContact CG-CD2 4.48Å; F12-L82 HydrophobicContact CZ-CD2 4.2Å; I16-L82 HydrophobicContact CG2-CD1 4.33Å; I78-L82 HydrophobicContact CG2-CD1 3.64Å; I78-L82 HydrophobicContact CG2-CG 4.16Å; I78-L82 WeakPolarHBondContact O-CB 3.41Å; I78-L82 WeakPolarHBondContact O-CG 3.39Å; I78-L82 PolarHBondContact O-N 3.39Å; I79-L82 PolarHBondContact O-N 3.07Å; I79-L82 VanDerWaalsContact O-N 3.16Å; L82-P84 WeakPolarHBondContact O-CD 3.24Å
83V96.2Very high92.7Very high12 Ų1275.1 Ų75.17%0.07337%0.371CS..SBendtrans-10995.7-176.7-168.40000109.5V9 I16 Y24 I79 G85 L86V9-V83 HydrophobicContact CG1-CG1 4.47Å; V9-V83 HydrophobicContact CG1-CG2 3.9Å; I16-V83 HydrophobicContact CD1-CG2 3.71Å; Y24-V83 HydrophobicContact CD1-CG2 4.14Å; Y24-V83 HydrophobicContact CD2-CG1 4.24Å; Y24-V83 HydrophobicContact CE1-CG2 3.9Å; Y24-V83 HydrophobicContact CE2-CG1 3.79Å; Y24-V83 HydrophobicContact CE2-CG2 4.46Å; I79-V83 HydrophobicContact CG2-CG2 4.41Å; I79-V83 PolarHBondContact O-N 2.99Å; V83-G85 PolarHBondContact O-N 2.6Å; V83-L86 HydrophobicContact CB-CB 3.97Å; V83-L86 HydrophobicContact CB-CD2 3.96Å; V83-L86 HydrophobicContact CG1-CB 3.81Å; V83-L86 HydrophobicContact CG1-CD2 4.13Å; V83-L86 HydrophobicContact CG1-CG 4.41Å; V83-L86 HydrophobicContact CG2-CD2 4.33Å; V83-L86 WeakPolarHBondContact O-CB 3.33Å; V83-L86 PolarHBondContact O-N 3.32Å
84P93Very high92.2Very high102 Ų10272.9 Ų72.966%0.66236%0.357SS*.THydrogen-bonded Turntrans-63.9136.7-177.626.2-34000111.3L82 L86L82-P84 WeakPolarHBondContact O-CD 3.24Å; P84-L86 VanDerWaalsContact C-N 3.26Å; P84-L86 PolarHBondContact O-N 3.49Å
85G92.6Very high91.8Very high29 Ų2971.1 Ų71.130%0.29934%0.344SS..THydrogen-bonded Turntrans81.3-6.717800000115.2V83 R87 E88 Q89V83-G85 PolarHBondContact O-N 2.6Å; G85-R87 PolarHBondContact O-N 3Å; G85-E88 VanDerWaalsContact C-OE2 3.27Å; G85-E88 WeakPolarHBondContact CA-OE2 3.38Å; G85-E88 PolarHBondContact O-N 3.02Å; G85-Q89 WeakPolarHBondContact O-CB 3.18Å; G85-Q89 WeakPolarHBondContact O-CG 3.39Å; G85-Q89 PolarHBondContact O-N 3.4Å
86L94.6Very high91.5Very high7 Ų774.6 Ų74.64%0.03736%0.359CS..Hα-helixtrans-65.4-39.1-175.6-177.564.7000112.4Y24 I26 I79 F80 V83 P84 Q89 E90Y24-L86 HydrophobicContact CD2-CD1 3.89Å; Y24-L86 HydrophobicContact CD2-CD2 4.13Å; Y24-L86 HydrophobicContact CG-CD2 4.07Å; I26-L86 HydrophobicContact CD1-CD1 4.36Å; I26-L86 HydrophobicContact CD1-CD2 4.44Å; I26-L86 HydrophobicContact CD1-CG 4.37Å; I79-L86 HydrophobicContact CG2-CD2 3.68Å; F80-L86 HydrophobicContact CD1-CB 4.26Å; F80-L86 HydrophobicContact CD1-CD2 4.25Å; F80-L86 HydrophobicContact CD1-CG 4.28Å; F80-L86 HydrophobicContact CE1-CD2 4.3Å; F80-L86 HydrophobicContact CE1-CG 4.17Å; V83-L86 HydrophobicContact CB-CB 3.97Å; V83-L86 HydrophobicContact CB-CD2 3.96Å; V83-L86 HydrophobicContact CG1-CB 3.81Å; V83-L86 HydrophobicContact CG1-CD2 4.13Å; V83-L86 HydrophobicContact CG1-CG 4.41Å; V83-L86 HydrophobicContact CG2-CD2 4.33Å; V83-L86 WeakPolarHBondContact O-CB 3.33Å; V83-L86 PolarHBondContact O-N 3.32Å; P84-L86 VanDerWaalsContact C-N 3.26Å; P84-L86 PolarHBondContact O-N 3.49Å; L86-Q89 PolarHBondContact O-N 3.37Å; L86-E90 PolarHBondContact O-N 3.49Å
87R89.6Confident91Very high119 Ų11978 Ų7845%0.44937%0.374SS..Hα-helixtrans-61.9-48.5178.1177.5-173.5-65.6-77.76.1110.8F80 G85 E90 L91F80-R87 HydrophobicContact CD1-CB 3.75Å; F80-R87 HydrophobicContact CE1-CB 3.89Å; F80-R87 HydrophobicContact CG-CB 4.12Å; F80-R87 HydrophobicContact CZ-CB 4.33Å; G85-R87 PolarHBondContact O-N 3Å; R87-E90 PolarHBondContact O-N 2.97Å; R87-L91 PolarHBondContact O-N 3.44Å
88E92.6Very high90.3Very high114 Ų11479.6 Ų79.653%0.53338%0.375SS..Hα-helixtrans-65.9-41-178-63.770.3-152.800110.6G85 L91 Q92G85-E88 VanDerWaalsContact C-OE2 3.27Å; G85-E88 WeakPolarHBondContact CA-OE2 3.38Å; G85-E88 PolarHBondContact O-N 3.02Å; E88-L91 PolarHBondContact O-N 3.26Å; E88-Q92 VanDerWaalsContact O-CB 3.29Å; E88-Q92 WeakPolarHBondContact O-CB 3.48Å; E88-Q92 PolarHBondContact O-N 3.02Å
89Q92.9Very high89.8Confident118 Ų11882.6 Ų82.655%0.55139%0.385SS*.Hα-helixtrans-63.2-42.4175.5-74170.815.600112.4G85 L86 Q92 R93G85-Q89 WeakPolarHBondContact O-CB 3.18Å; G85-Q89 WeakPolarHBondContact O-CG 3.39Å; G85-Q89 PolarHBondContact O-N 3.4Å; L86-Q89 PolarHBondContact O-N 3.37Å; Q89-Q92 PolarHBondContact O-N 3.42Å; Q89-R93 WeakPolarHBondContact O-CG 3.3Å; Q89-R93 PolarHBondContact O-N 3.46Å
90E90.6Very high89.4Confident43 Ų4391.1 Ų91.120%0.20142%0.422CS..Hα-helixtrans-62.8-46.9176.6-177.860.2-168.400111.6I26 L86 R87 Q92 R93 E94I26-E90 HydrophobicContact CD1-CB 4.48Å; I26-E90 HydrophobicContact CD1-CG 4.38Å; I26-E90 HydrophobicContact CG2-CG 3.94Å; L86-E90 PolarHBondContact O-N 3.49Å; R87-E90 PolarHBondContact O-N 2.97Å; E90-Q92 VanDerWaalsContact C-N 3.31Å; E90-Q92 PolarHBondContact O-N 3.01Å; E90-R93 PolarHBondContact O-N 3.44Å; E90-R93 IonicContact OE2-CZ 3.21Å; E90-R93 IonicContact OE2-NE 3.32Å; E90-R93 PolarHBondContact OE2-NE 3.4Å; E90-R93 IonicContact OE2-NH2 2.6Å; E90-R93 PolarHBondContact OE2-NH2 3.48Å; E90-E94 PolarHBondContact O-N 3.33Å; E90-E94 VanDerWaalsContact O-N 3.09Å
91L84.3Confident88.7Confident97 Ų9793.6 Ų93.651%0.50844%0.437SS..Hα-helixtrans-59.5-43.2176.617962.8000111.6R87 E88 R93 E94 I95R87-L91 PolarHBondContact O-N 3.44Å; E88-L91 PolarHBondContact O-N 3.26Å; L91-R93 PolarHBondContact O-N 3.06Å; L91-E94 PolarHBondContact O-N 2.89Å; L91-I95 HydrophobicContact CD1-CD1 4.2Å; L91-I95 HydrophobicContact CD1-CG1 4.45Å; L91-I95 HydrophobicContact CG-CD1 3.92Å; L91-I95 WeakPolarHBondContact O-CG1 3.46Å; L91-I95 PolarHBondContact O-N 3.09Å
92Q87.8Confident87.7Confident86 Ų8693.4 Ų93.440%0.40244%0.436SS..Hα-helixtrans-62.5-42.5178.9-175.862.328.900111.7E88 Q89 E90 E94 I95 E96E88-Q92 VanDerWaalsContact O-CB 3.29Å; E88-Q92 WeakPolarHBondContact O-CB 3.48Å; E88-Q92 PolarHBondContact O-N 3.02Å; Q89-Q92 PolarHBondContact O-N 3.42Å; E90-Q92 VanDerWaalsContact C-N 3.31Å; E90-Q92 PolarHBondContact O-N 3.01Å; Q92-E94 VanDerWaalsContact C-N 3.32Å; Q92-E94 PolarHBondContact O-N 2.96Å; Q92-I95 PolarHBondContact O-N 3.46Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.18Å; Q92-E96 PolarHBondContact NE2-OE1 3.14Å; Q92-E96 WeakPolarHBondContact O-CB 3.32Å; Q92-E96 VanDerWaalsContact O-CG 3.3Å; Q92-E96 WeakPolarHBondContact O-CG 3.36Å; Q92-E96 PolarHBondContact O-N 2.82Å
93R87.9Confident85.9Confident142 Ų14296 Ų9654%0.53646%0.457SS..Hα-helixtrans-60.6-41.3175.2-73.8-169.6-67.8-179-6.5112.2Q89 E90 L91 E96 F97Q89-R93 WeakPolarHBondContact O-CG 3.3Å; Q89-R93 PolarHBondContact O-N 3.46Å; E90-R93 PolarHBondContact O-N 3.44Å; E90-R93 IonicContact OE2-CZ 3.21Å; E90-R93 IonicContact OE2-NE 3.32Å; E90-R93 PolarHBondContact OE2-NE 3.4Å; E90-R93 IonicContact OE2-NH2 2.6Å; E90-R93 PolarHBondContact OE2-NH2 3.48Å; L91-R93 PolarHBondContact O-N 3.06Å; R93-E96 PolarHBondContact O-N 3.43Å; R93-F97 WeakPolarHBondContact O-CB 3.25Å; R93-F97 PolarHBondContact O-N 3.26Å
94E81.3Confident83.7Confident53 Ų53104.1 Ų104.125%0.24849%0.494CS..Hα-helixtrans-64.6-45.9177.2-172.5164.5-146.700111.4E90 L91 Q92 E96 F97 W98E90-E94 PolarHBondContact O-N 3.33Å; E90-E94 VanDerWaalsContact O-N 3.09Å; L91-E94 PolarHBondContact O-N 2.89Å; Q92-E94 VanDerWaalsContact C-N 3.32Å; Q92-E94 PolarHBondContact O-N 2.96Å; E94-E96 VanDerWaalsContact C-N 3.35Å; E94-E96 PolarHBondContact O-N 2.84Å; E94-F97 PolarHBondContact O-N 3.13Å; E94-W98 PolarHBondContact O-N 3.46Å; E94-W98 VanDerWaalsContact O-N 3.11Å
95I84.6Confident81.4Confident61 Ų61108.1 Ų108.131%0.31350%0.503SS..Hα-helixtrans-59.6-44.8176-69.2166.6000111.3L91 Q92 W98 K99L91-I95 HydrophobicContact CD1-CD1 4.2Å; L91-I95 HydrophobicContact CD1-CG1 4.45Å; L91-I95 HydrophobicContact CG-CD1 3.92Å; L91-I95 WeakPolarHBondContact O-CG1 3.46Å; L91-I95 PolarHBondContact O-N 3.09Å; Q92-I95 PolarHBondContact O-N 3.46Å; I95-W98 PolarHBondContact O-N 3.23Å; I95-K99 HydrophobicContact CG2-CD 3.9Å; I95-K99 VanDerWaalsContact CG2-CE 3.47Å; I95-K99 HydrophobicContact CG2-CG 4.35Å; I95-K99 WeakPolarHBondContact O-CB 3.46Å; I95-K99 VanDerWaalsContact O-CG 3.3Å; I95-K99 WeakPolarHBondContact O-CG 3.29Å; I95-K99 PolarHBondContact O-N 3.43Å
96E89.9Confident78.9Confident104 Ų104114.3 Ų114.349%0.48653%0.53SS..Hα-helixtrans-64.2-40.9179.7-75.4171-170.900112.3Q92 R93 E94 K99 K100Q92-E96 WeakPolarHBondContact CG-OE1 3.18Å; Q92-E96 PolarHBondContact NE2-OE1 3.14Å; Q92-E96 WeakPolarHBondContact O-CB 3.32Å; Q92-E96 VanDerWaalsContact O-CG 3.3Å; Q92-E96 WeakPolarHBondContact O-CG 3.36Å; Q92-E96 PolarHBondContact O-N 2.82Å; R93-E96 PolarHBondContact O-N 3.43Å; E94-E96 VanDerWaalsContact C-N 3.35Å; E94-E96 PolarHBondContact O-N 2.84Å; E96-K99 PolarHBondContact O-N 3.06Å; E96-K100 WeakPolarHBondContact O-CB 3.41Å; E96-K100 PolarHBondContact O-N 3.45Å
97F84.6Confident76.3Confident114 Ų114117.1 Ų117.150%0.556%0.561SS.*Hα-helixtrans-58.5-50.3174.6175.8-94.1000111.4R93 E94 K100 N101R93-F97 WeakPolarHBondContact O-CB 3.25Å; R93-F97 PolarHBondContact O-N 3.26Å; E94-F97 PolarHBondContact O-N 3.13Å; F97-K100 PolarHBondContact O-N 2.89Å; F97-N101 VanDerWaalsContact CE2-ND2 3.25Å; F97-N101 WeakPolarHBondContact CE2-ND2 3.41Å; F97-N101 WeakPolarHBondContact CZ-ND2 3.43Å; F97-N101 WeakPolarHBondContact O-CB 3.42Å; F97-N101 PolarHBondContact O-N 3.41Å
98W78.7Confident73.8Confident136 Ų136120.9 Ų120.952%0.51558%0.583SS.*Hα-helixtrans-68.7-35-179.5-71.5118.7000113.4E94 I95 K100 N101 K102E94-W98 PolarHBondContact O-N 3.46Å; E94-W98 VanDerWaalsContact O-N 3.11Å; I95-W98 PolarHBondContact O-N 3.23Å; W98-K100 VanDerWaalsContact C-N 3.28Å; W98-K100 PolarHBondContact O-N 2.92Å; W98-N101 PolarHBondContact O-N 3.11Å; W98-K102 PolarHBondContact O-N 3.32Å
99K85.1Confident71.5Confident142 Ų142121.6 Ų121.662%0.61759%0.591SS**Hα-helixtrans-60-40.4172.3-79.6175.9178.9174.50111.6I95 E96I95-K99 HydrophobicContact CG2-CD 3.9Å; I95-K99 VanDerWaalsContact CG2-CE 3.47Å; I95-K99 HydrophobicContact CG2-CG 4.35Å; I95-K99 WeakPolarHBondContact O-CB 3.46Å; I95-K99 VanDerWaalsContact O-CG 3.3Å; I95-K99 WeakPolarHBondContact O-CG 3.29Å; I95-K99 PolarHBondContact O-N 3.43Å; E96-K99 PolarHBondContact O-N 3.06Å
100K88.1Confident68.8Low181 Ų181124.5 Ų124.579%0.78760%0.604SS**Hα-helixtrans-76.5-36.3-179.8-172.3176.6178.9-179.80112.9E96 F97 W98E96-K100 WeakPolarHBondContact O-CB 3.41Å; E96-K100 PolarHBondContact O-N 3.45Å; F97-K100 PolarHBondContact O-N 2.89Å; W98-K100 VanDerWaalsContact C-N 3.28Å; W98-K100 PolarHBondContact O-N 2.92Å
101N80.4Confident66.5Low83 Ų83126.3 Ų126.344%0.44462%0.622SS.*THydrogen-bonded Turntrans-98.827.1-177.1-79.12.6000113.5F97 W98 P103F97-N101 VanDerWaalsContact CE2-ND2 3.25Å; F97-N101 WeakPolarHBondContact CE2-ND2 3.41Å; F97-N101 WeakPolarHBondContact CZ-ND2 3.43Å; F97-N101 WeakPolarHBondContact O-CB 3.42Å; F97-N101 PolarHBondContact O-N 3.41Å; W98-N101 PolarHBondContact O-N 3.11Å; N101-P103 WeakPolarHBondContact O-CD 3.3Å; N101-P103 VanDerWaalsContact O-N 3.12Å
102K72.8Confident64.3Low162 Ų162127.9 Ų127.970%0.70464%0.638SS**  trans-53.4123.5170.9-84.3-171.1174.8-174.80108.6W98 Q104W98-K102 PolarHBondContact O-N 3.32Å; K102-Q104 PolarHBondContact O-N 3.43Å; K102-Q104 VanDerWaalsContact O-N 3.15Å
103P57Low61.8Low112 Ų112132.7 Ų132.773%0.72766%0.658SS**  trans-57.2125.4174.820-28.1000108N101 E105N101-P103 WeakPolarHBondContact O-CD 3.3Å; N101-P103 VanDerWaalsContact O-N 3.12Å; P103-E105 VanDerWaalsContact C-N 3.31Å; P103-E105 PolarHBondContact O-N 3.5Å
104Q50.5Low59.7Low181 Ų181130.8 Ų130.885%0.84667%0.672SS**  trans-62.1101.1165.1-75.3-172.4-33.600106.5K102 N106K102-Q104 PolarHBondContact O-N 3.43Å; K102-Q104 VanDerWaalsContact O-N 3.15Å; Q104-N106 PolarHBondContact O-N 2.94Å
105E43.4Very low57.5Low186 Ų186135.8 Ų135.887%0.86970%0.701SS**  trans-63.3106.6162.2-76.1-174.114200106.8P103 G107P103-E105 VanDerWaalsContact C-N 3.31Å; P103-E105 PolarHBondContact O-N 3.5Å; E105-G107 PolarHBondContact O-N 3.32Å; E105-G107 VanDerWaalsContact O-N 3.17Å
106N41.3Very low55.1Low159 Ų159142.1 Ų142.185%0.8573%0.726SS**  trans-64.4110.7167-96.4-15.7000108.9Q104Q104-N106 PolarHBondContact O-N 2.94Å
107G39.6Very low52.7Low67 Ų67142.4 Ų142.469%0.69174%0.737SS**  trans9196.8149.400000116E105E105-G107 PolarHBondContact O-N 3.32Å; E105-G107 VanDerWaalsContact O-N 3.17Å
108Q37.1Very low50.3Low197 Ų197147 Ų14792%0.92176%0.756SS**  -166.3136.974.6-92.1172.44.600109.9E110Q108-E110 PolarHBondContact O-N 3.03Å
109D43.5Very low48.5Very low130 Ų130145.5 Ų145.570%0.69576%0.762SS**  trans-59.4115.8172.9-167.31.6000110.1S111D109-S111 PolarHBondContact OD1-OG 3.22Å
110E36.2Very low46.1Very low178 Ų178146.3 Ų146.383%0.83277%0.774SS**  trans-145.788.9141.5-82.5-56.4148.300105.7Q108Q108-E110 PolarHBondContact O-N 3.03Å
111S42.6Very low43.9Very low81 Ų81145.9 Ų145.957%0.56677%0.774SS**  trans-46123.8159.4-59.50000109.2D109 K113D109-S111 PolarHBondContact OD1-OG 3.22Å; S111-K113 VanDerWaalsContact C-N 3.29Å; S111-K113 PolarHBondContact O-N 2.76Å
112P38.1Very low41.9Very low131 Ų131150.8 Ų150.885%0.85180%0.795SS**  trans-72.4961692.412.1000106.8A114P112-A114 PolarHBondContact O-N 2.69Å
113K35.2Very low40.1Very low187 Ų187147 Ų14781%0.81380%0.802SS**  trans-53.5127.1161.9-77.5178.2178.8170.30107.1S111 D115S111-K113 VanDerWaalsContact C-N 3.29Å; S111-K113 PolarHBondContact O-N 2.76Å; K113-D115 PolarHBondContact O-N 3.34Å; K113-D115 VanDerWaalsContact O-N 3.07Å
114A43.3Very low39Very low102 Ų102149.4 Ų149.484%0.84381%0.808SS**  trans-54.7112.2165.100000108.3P112P112-A114 PolarHBondContact O-N 2.69Å
115D34.9Very low38.9Very low158 Ų158148.7 Ų148.785%0.84581%0.805SS**  trans-119.5124.5161.3-118.1-36.1000109.4K113K113-D115 PolarHBondContact O-N 3.34Å; K113-D115 VanDerWaalsContact O-N 3.07Å
116K35.1Very low38.8Very low193 Ų193146.1 Ų146.184%0.83980%0.797SS**  trans-80.6163.6178.7-94.2-173.2178.3-175.50109.9
117P40.3Very low38.9Very low111 Ų111147 Ų14772%0.72180%0.796SS**  trans-85.3148.8-14634.1-34.2000112.8
118K33.3Very low39.5Very low209 Ų209151.8 Ų151.891%0.90980%0.801SS**  trans-111.3110.9150.7-74.9-170.2177.6-177.70108.3
119V41.5Very low40.3Very low105 Ų105146.5 Ų146.564%0.63678%0.779SS**  trans-55134.2163.3-171.90000107.6
120D34.3Very low40.8Very low160 Ų160148.3 Ų148.386%0.85678%0.78SS**  -168.4135.2125.8-78.6-25.3000109
121E42.3Very low42.2Very low172 Ų172142.6 Ų142.680%0.80476%0.755SS**  trans-65.1155.2-167.8-53.7179.3145.500111.6
122E38.3Very low43.4Very low186 Ų186148.8 Ų148.887%0.86977%0.768SS**  -166.1135.860.1-70.6178.2156.700111.7
123G33.9Very low44.8Very low83 Ų83146.7 Ų146.786%0.85675%0.746SS**  trans29.6119.115500000124.3
124D35Very low46.3Very low161 Ų161147.7 Ų147.786%0.86175%0.745SS**  -175.2155.2105.9-158.16.7000111.1
125E47.2Very low47.8Very low166 Ų166147.7 Ų147.778%0.77674%0.739SS**  trans-81.6150.7-148.7-60.9167.2171.600116.9
126N41.2Very low50.1Low133 Ų133141 Ų14171%0.71170%0.703SS**  trans92.674.9169.9-57.4-57000118.4E128N126-E128 PolarHBondContact O-N 3.19Å
127E45.1Very low52.3Low176 Ų176134.4 Ų134.482%0.82268%0.68SS**  trans-8152.2152.3-71.5-156.5125.800111.9K130E127-K130 IonicContact OE1-NZ 3.53Å
128E51.1Low54.6Low169 Ų169131.3 Ų131.379%0.7966%0.656SS**  trans-102.6120.7168.2-71.3-168.8171.900110N126N126-E128 PolarHBondContact O-N 3.19Å
129D53.4Low57.2Low86 Ų86121.4 Ų121.446%0.4661%0.613SS.*  trans84.468.5161.3-150.811.3000118.5D131 H133D129-D131 PolarHBondContact O-N 3.28Å; D129-D131 WeakPolarHBondContact OD1-CB 3.3Å; D129-D131 PolarHBondContact OD1-N 2.92Å; D129-H133 IonicContact OD2-ND1 3.51Å
130K53.8Low59.5Low168 Ų168118 Ų11873%0.7360%0.596SS**THydrogen-bonded Turntrans-78.69.5163.5-72.3-178.8-174.8160.60113.8E127 Y132E127-K130 IonicContact OE1-NZ 3.53Å; K130-Y132 WeakPolarHBondContact O-CD2 3.44Å; K130-Y132 PolarHBondContact O-N 3.01Å
131D67.4Low62.3Low57 Ų57110.4 Ų110.431%0.30556%0.555SS.*THydrogen-bonded Turntrans-83-0.1178.9-169.141.6000113D129 H133 R134 S135D129-D131 PolarHBondContact O-N 3.28Å; D129-D131 WeakPolarHBondContact OD1-CB 3.3Å; D129-D131 PolarHBondContact OD1-N 2.92Å; D131-H133 PolarHBondContact O-N 3.16Å; D131-R134 WeakPolarHBondContact O-CB 3.46Å; D131-R134 PolarHBondContact O-N 3.32Å; D131-R134 WeakPolarHBondContact OD1-CB 3.33Å; D131-R134 PolarHBondContact OD2-N 3.47Å; D131-S135 WeakPolarHBondContact OD2-CA 3.44Å; D131-S135 WeakPolarHBondContact OD2-CB 3.49Å; D131-S135 PolarHBondContact OD2-N 2.93Å; D131-S135 PolarHBondContact OD2-OG 2.93Å
132Y66.1Low64.6Low212 Ų212102.5 Ų102.583%0.83152%0.519SS*.THydrogen-bonded Turntrans47.338.9179.9-64.9-84.4000112.8K130 R134K130-Y132 WeakPolarHBondContact O-CD2 3.44Å; K130-Y132 PolarHBondContact O-N 3.01Å; Y132-R134 PolarHBondContact O-N 2.94Å
133H68.9Low67.2Low86 Ų8693.7 Ų93.740%0.39848%0.478SS..THydrogen-bonded Turntrans61.224.4-178.2-52.1-47.6000114.8D129 D131 S135 D136 Q138D129-H133 IonicContact OD2-ND1 3.51Å; D131-H133 PolarHBondContact O-N 3.16Å; H133-S135 VanDerWaalsContact C-N 3.31Å; H133-D136 HydrophobicContact CB-CB 4.2Å; H133-D136 WeakPolarHBondContact CB-OD2 3.3Å; H133-D136 IonicContact CG-OD2 3.59Å; H133-D136 VanDerWaalsContact CG-OD2 3.31Å; H133-D136 IonicContact ND1-OD2 3.38Å; H133-D136 PolarHBondContact ND1-OD2 3.47Å; H133-D136 WeakPolarHBondContact O-CB 3.42Å; H133-D136 PolarHBondContact O-N 2.89Å; H133-Q138 PolarHBondContact O-NE2 3.04Å
134R66.8Low69.8Low208 Ų20891 Ų9179%0.78544%0.444SS*.SBendtrans-71.8-27.3178.7-161.6176.8-171.1164.31.7112.3D131 Y132D131-R134 WeakPolarHBondContact O-CB 3.46Å; D131-R134 PolarHBondContact O-N 3.32Å; D131-R134 WeakPolarHBondContact OD1-CB 3.33Å; D131-R134 PolarHBondContact OD2-N 3.47Å; Y132-R134 PolarHBondContact O-N 2.94Å
135S74.6Confident72.3Confident103 Ų10384.3 Ų84.372%0.7241%0.41SS*.SBendtrans-89.4-8.3174.3-59.50000113.6D131 H133D131-S135 WeakPolarHBondContact OD2-CA 3.44Å; D131-S135 WeakPolarHBondContact OD2-CB 3.49Å; D131-S135 PolarHBondContact OD2-N 2.93Å; D131-S135 PolarHBondContact OD2-OG 2.93Å; H133-S135 VanDerWaalsContact C-N 3.31Å
136D82.6Confident73.8Confident17 Ų1778.8 Ų78.89%0.09139%0.385CS..SBendtrans-64.1150.6176.6-78.8-6.7000110.8H133 Q138 S168 R170H133-D136 HydrophobicContact CB-CB 4.2Å; H133-D136 WeakPolarHBondContact CB-OD2 3.3Å; H133-D136 IonicContact CG-OD2 3.59Å; H133-D136 VanDerWaalsContact CG-OD2 3.31Å; H133-D136 IonicContact ND1-OD2 3.38Å; H133-D136 PolarHBondContact ND1-OD2 3.47Å; H133-D136 WeakPolarHBondContact O-CB 3.42Å; H133-D136 PolarHBondContact O-N 2.89Å; D136-Q138 PolarHBondContact O-N 2.86Å; D136-Q138 PolarHBondContact O-NE2 3.15Å; D136-S168 VanDerWaalsContact CB-OG 3.23Å; D136-S168 WeakPolarHBondContact CB-OG 3.44Å; D136-S168 PolarHBondContact OD2-OG 3.06Å; D136-R170 IonicContact OD1-CZ 3.82Å; D136-R170 IonicContact OD1-NE 2.61Å; D136-R170 IonicContact OD1-NH1 3.71Å; D136-R170 IonicContact OD1-NH2 3.55Å; D136-R170 WeakPolarHBondContact OD2-CD 3.34Å; D136-R170 VanDerWaalsContact OD2-CG 3.31Å; D136-R170 WeakPolarHBondContact OD2-CG 3.45Å; D136-R170 IonicContact OD2-CZ 3.79Å; D136-R170 IonicContact OD2-NE 3.76Å
137P81.9Confident75.1Confident54 Ų5481.6 Ų81.635%0.35139%0.386SS..PPolyproline II helixtrans-49.6133.6167.9-24.834.1000110.6S168 T169P137-S168 WeakPolarHBondContact O-CA 3.34Å; P137-T169 HydrophobicContact CB-CG2 3.96Å; P137-T169 WeakPolarHBondContact O-CG2 3.49Å; P137-T169 PolarHBondContact O-N 2.97Å; P137-T169 PolarHBondContact O-OG1 3.41Å
138Q87.8Confident75.7Confident46 Ų4677.2 Ų77.222%0.21537%0.368CS..EExtended strand (participates in β ladder)trans-100.5141.4-177.4-61.9-64.5-56.600110.3H133 D136 R166 C167H133-Q138 PolarHBondContact O-NE2 3.04Å; D136-Q138 PolarHBondContact O-N 2.86Å; D136-Q138 PolarHBondContact O-NE2 3.15Å; Q138-R166 HydrophobicContact CB-CG 4.04Å; Q138-C167 WeakPolarHBondContact CA-O 3.46Å; Q138-C167 PolarHBondContact OE1-O 2.83Å
139I87.6Confident75.4Confident2 Ų277.2 Ų77.21%0.0137%0.373CS..EExtended strand (participates in β ladder)trans-124.5140.2175.6-174.5165.5000110.5I141 R166 C167 T169 M207 Y211 M245I139-I141 HydrophobicContact CG1-CG1 4.37Å; I139-I141 HydrophobicContact CG2-CD1 4.19Å; I139-I141 HydrophobicContact CG2-CG1 4.28Å; I139-R166 WeakPolarHBondContact O-CA 3.48Å; I139-C167 WeakPolarHBondContact CG2-O 3.44Å; I139-C167 PolarHBondContact N-O 2.9Å; I139-C167 PolarHBondContact O-N 2.65Å; I139-C167 VanDerWaalsContact O-N 3.11Å; I139-T169 HydrophobicContact CB-CG2 3.91Å; I139-T169 HydrophobicContact CG2-CG2 4.01Å; I139-M207 HydrophobicContact CG2-CB 3.91Å; I139-M207 HydrophobicContact CG2-CG 4.45Å; I139-Y211 HydrophobicContact CD1-CD2 3.66Å; I139-Y211 HydrophobicContact CD1-CE2 4.46Å; I139-Y211 HydrophobicContact CD1-CG 4.13Å; I139-M245 HydrophobicContact CD1-CB 4.32Å; I139-M245 HydrophobicContact CD1-CE 3.93Å; I139-M245 HydrophobicContact CD1-SD 4.36Å
140A90.3Very high75.2Confident33 Ų3376.4 Ų76.427%0.27339%0.386SS..EExtended strand (participates in β ladder)trans-93129.8172.400000110I165 P244 M245A140-I165 WeakPolarHBondContact CA-O 3.09Å; A140-P244 HydrophobicContact CB-CB 4.19Å; A140-P244 CarbonylContact O-C 3.59Å; A140-P244 VanDerWaalsContact O-CA 3.3Å; A140-P244 WeakPolarHBondContact O-CA 3.23Å; A140-M245 PolarHBondContact O-N 2.84Å
141I92Very high74.8Confident0 Ų075 Ų750%038%0.381CS..EExtended strand (participates in β ladder)trans-126.8133.2-176.4-54.3171.2000109.2I139 L143 F164 I165 M207 M245 L247I139-I141 HydrophobicContact CG1-CG1 4.37Å; I139-I141 HydrophobicContact CG2-CD1 4.19Å; I139-I141 HydrophobicContact CG2-CG1 4.28Å; I141-L143 HydrophobicContact CG2-CD2 4.01Å; I141-L143 HydrophobicContact CG2-CG 4.43Å; I141-F164 WeakPolarHBondContact O-CA 3.35Å; I141-I165 HydrophobicContact CB-CG1 4.04Å; I141-I165 PolarHBondContact N-O 3.45Å; I141-I165 PolarHBondContact O-N 3.4Å; I141-M207 HydrophobicContact CD1-CB 4.3Å; I141-M207 HydrophobicContact CD1-CG 3.55Å; I141-M207 HydrophobicContact CD1-SD 3.41Å; I141-M207 WeakPolarHBondContact CD1-SD 3.4Å; I141-M245 CarbonylContact C-O 3.5Å; I141-M245 VanDerWaalsContact CA-O 3.29Å; I141-M245 WeakPolarHBondContact CA-O 3.4Å; I141-M245 HydrophobicContact CD1-CE 4.08Å; I141-M245 HydrophobicContact CG1-CE 4.02Å; I141-M245 WeakPolarHBondContact CG2-O 3.17Å; I141-L247 HydrophobicContact CG2-CB 4.36Å; I141-L247 HydrophobicContact CG2-CD1 3.91Å; I141-L247 HydrophobicContact CG2-CG 3.97Å
142C92.6Very high73.7Confident7 Ų779 Ų795%0.04741%0.414CS..EExtended strand (participates in β ladder)trans-96.9125.2166.3-173.40000109.4K163 F164 M245 V246 L247C142-K163 CarbonylContact C-O 3.44Å; C142-F164 HydrophobicContact CB-CD1 3.84Å; C142-F164 HydrophobicContact CB-CE1 3.59Å; C142-F164 HydrophobicContact CB-CZ 4.42Å; C142-M245 PolarHBondContact N-O 2.86Å; C142-V246 HydrophobicContact CB-CG2 4.15Å; C142-L247 PolarHBondContact O-N 3.13Å; C142-L247 VanDerWaalsContact O-O 3.1Å
143L92.4Very high72.7Confident1 Ų171 Ų711%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-102.3101.3176.1-62.8175.1000109.4I141 L160 K163 I165 I176 F179 L180 L247 Y249I141-L143 HydrophobicContact CG2-CD2 4.01Å; I141-L143 HydrophobicContact CG2-CG 4.43Å; L143-L160 HydrophobicContact CB-CD1 3.99Å; L143-L160 HydrophobicContact CD1-CD1 3.85Å; L143-K163 PolarHBondContact N-O 3.48Å; L143-K163 WeakPolarHBondContact O-CB 3.49Å; L143-I165 HydrophobicContact CD1-CD1 3.92Å; L143-I165 HydrophobicContact CD1-CG1 4.36Å; L143-I176 HydrophobicContact CD1-CG2 4.5Å; L143-I176 HydrophobicContact CD2-CG2 3.82Å; L143-F179 HydrophobicContact CD1-CD1 4.14Å; L143-F179 HydrophobicContact CD1-CE1 3.94Å; L143-L180 HydrophobicContact CD1-CD2 4.12Å; L143-L180 HydrophobicContact CD1-CG 4.46Å; L143-L247 WeakPolarHBondContact CA-O 3.36Å; L143-L247 HydrophobicContact CD2-CB 4.18Å; L143-Y249 HydrophobicContact CB-CD1 4.21Å; L143-Y249 HydrophobicContact CB-CE1 4.13Å
144D88.8Confident71.6Confident25 Ų2575.1 Ų75.113%0.13442%0.421CS..EExtended strand (participates in β ladder)trans-99.1126.9179.3-94.1-36.3000112L146 K163 L247 Q248 Y249D144-L146 PolarHBondContact O-N 3.39Å; D144-K163 WeakPolarHBondContact OD1-CD 3.47Å; D144-K163 IonicContact OD1-NZ 3.93Å; D144-K163 PolarHBondContact OD1-NZ 2.95Å; D144-L247 PolarHBondContact N-O 2.88Å; D144-Q248 HydrophobicContact CB-CG 4.35Å; D144-Q248 CarbonylContact O-C 3.57Å; D144-Q248 WeakPolarHBondContact O-CA 3.34Å; D144-Y249 WeakPolarHBondContact O-CD1 3.3Å; D144-Y249 PolarHBondContact O-N 2.95Å
145C86.4Confident71Confident22 Ų2270.3 Ų70.315%0.14941%0.411CS..EExtended strand (participates in β ladder)trans-72.9120.3172.4-171.10000109.3R147 V157 Y249C145-R147 PolarHBondContact O-N 2.87Å; C145-V157 PolarHBondContact SG-O 2.55Å; C145-Y249 HydrophobicContact CB-CE1 4.04Å; C145-Y249 HydrophobicContact CB-CE2 4.02Å
146L80.1Confident70.4Confident50 Ų5070.1 Ų70.126%0.26241%0.405SS..  trans-73.8107.7171.4-153.997.9000108.3D144 Q248 Y249 R250D144-L146 PolarHBondContact O-N 3.39Å; L146-Q248 HydrophobicContact CD1-CB 4.14Å; L146-Q248 VanDerWaalsContact CD1-CD 3.44Å; L146-Q248 HydrophobicContact CD1-CG 4.16Å; L146-Y249 PolarHBondContact N-O 2.84Å; L146-R250 HydrophobicContact CB-CB 4.14Å
147R67.8Low69.9Low192 Ų19269.8 Ų69.873%0.72540%0.404SS*.  trans-87.1118.1172.8-74-175.1174-166.7-0.6109.1C145 N149C145-R147 PolarHBondContact O-N 2.87Å; R147-N149 PolarHBondContact O-N 2.92Å
148N56.5Low69.5Low84 Ų8475.1 Ų75.145%0.44942%0.421SS..  trans-76.8112.6166.5-75.6-13000108.1G150N148-G150 PolarHBondContact O-N 3.5Å
149N46.5Very low69.2Low168 Ų16874.4 Ų74.490%0.89843%0.426SS*.THydrogen-bonded Turntrans-70.234.6-179.8-79.9-4.2000114.1R147R147-N149 PolarHBondContact O-N 2.92Å
150G48.4Very low68.9Low70 Ų7075.1 Ų75.172%0.72243%0.43SS*.THydrogen-bonded Turntrans-156.910.2-17300000117.7N148N148-G150 PolarHBondContact O-N 3.5Å
151Q45.4Very low68.1Low137 Ų13783 Ų8364%0.6446%0.464SS*.  trans-127.7101.9177.8-73.6-178.8-600111.8G153Q151-G153 VanDerWaalsContact C-N 3.29Å; Q151-G153 PolarHBondContact O-N 3.31Å
152S44.4Very low67.7Low141 Ų14191.5 Ų91.599%0.98650%0.501SS*.  trans-84.263.8168.5-60.60000110.8
153G44.8Very low67.4Low44 Ų4494.1 Ų94.145%0.45451%0.511SS..SBendtrans-148.8162.4177.200000112.5Q151 N155 V156Q151-G153 VanDerWaalsContact C-N 3.29Å; Q151-G153 PolarHBondContact O-N 3.31Å; G153-N155 PolarHBondContact O-N 3.33Å; G153-V156 WeakPolarHBondContact O-CG2 3.43Å
154D46.8Very low67.3Low173 Ų17399.1 Ų99.193%0.92553%0.533SS*.SBendtrans-52.23.4-167.5-74-43.8000118.7
155N53.5Low67.4Low108 Ų10899.6 Ų99.658%0.57854%0.535SS*.  trans-100.530.6177.7-70.8-55.2000113.4G153 V157 Y190G153-N155 PolarHBondContact O-N 3.33Å; N155-V157 PolarHBondContact O-N 2.86Å; N155-Y190 PolarHBondContact O-OH 3.35Å
156V62.8Low67.5Low99 Ų99105.1 Ų105.160%0.655%0.553SS**  trans-84.199.3176.4-1770000109.9G153 K158G153-V156 WeakPolarHBondContact O-CG2 3.43Å; V156-K158 PolarHBondContact O-N 3.16Å
157V70.3Confident68Low9 Ų9103.7 Ų103.76%0.05555%0.547CS..PPolyproline II helixtrans-66.8128.4166.6169.20000109.4C145 N155 L184 Y190 L192 Y249 P251C145-V157 PolarHBondContact SG-O 2.55Å; N155-V157 PolarHBondContact O-N 2.86Å; V157-L184 HydrophobicContact CG1-CD1 3.83Å; V157-Y190 HydrophobicContact CG2-CD1 4.48Å; V157-Y190 HydrophobicContact CG2-CE1 3.4Å; V157-Y190 VanDerWaalsContact CG2-CE1 3.4Å; V157-Y190 WeakPolarHBondContact CG2-OH 3.35Å; V157-L192 HydrophobicContact CG2-CD2 4.11Å; V157-Y249 HydrophobicContact CG1-CD2 4.05Å; V157-Y249 HydrophobicContact CG1-CE2 3.53Å; V157-P251 HydrophobicContact CB-CG 4.21Å; V157-P251 HydrophobicContact CG2-CB 4.46Å; V157-P251 HydrophobicContact CG2-CG 3.59Å
158K75.4Confident69.1Low166 Ų16695 Ų9572%0.72252%0.516SS*.PPolyproline II helixtrans-76.6147.5177.6-68.3-179.2-179.7176.30110.8V156 L184 Y249V156-K158 PolarHBondContact O-N 3.16Å; K158-L184 WeakPolarHBondContact O-CD2 3.35Å; K158-Y249 PolarHBondContact O-OH 3.02Å; K158-Y249 VanDerWaalsContact O-OH 3.1Å
159G80.6Confident70.7Confident31 Ų3191.2 Ų91.232%0.3250%0.495SS..PPolyproline II helixtrans-67.4142170.400000111.3Y249G159-Y249 WeakPolarHBondContact CA-OH 3.29Å
160L81.1Confident72.8Confident18 Ų1889.8 Ų89.89%0.09448%0.478CS..PPolyproline II helixtrans-62.2138.3167.9-72173.9000110.3L143 K162 K163 F179 L180 K183 L184 Y249L143-L160 HydrophobicContact CB-CD1 3.99Å; L143-L160 HydrophobicContact CD1-CD1 3.85Å; L160-K162 VanDerWaalsContact C-N 3.33Å; L160-K163 HydrophobicContact CB-CG 4.42Å; L160-K163 WeakPolarHBondContact O-CG 3.44Å; L160-F179 HydrophobicContact CD1-CE1 4.31Å; L160-L180 HydrophobicContact CD1-CD2 3.63Å; L160-L180 HydrophobicContact CD2-CD2 4.47Å; L160-L180 HydrophobicContact CG-CD2 4.1Å; L160-K183 HydrophobicContact CD2-CB 3.79Å; L160-L184 HydrophobicContact CD2-CD2 3.73Å; L160-L184 HydrophobicContact CD2-CG 4.02Å; L160-L184 HydrophobicContact CG-CD2 4.3Å; L160-Y249 PolarHBondContact N-OH 2.91Å
161M74.5Confident75Confident198 Ų19887.9 Ų87.998%0.97545%0.452SS*.SBendtrans-65.4-39.1171.4-66.2-17871.700111.6
162K81.7Confident77.4Confident178 Ų17883.3 Ų83.377%0.77443%0.433SS*.SBendtrans-113.4102.4173.5-65.8-174.5179.7-175.60108.2L160L160-K162 VanDerWaalsContact C-N 3.33Å
163K87.3Confident79.8Confident62 Ų6276.6 Ų76.627%0.2739%0.386SS..  trans-83.8-17.3-175.1-60.9-178175.5-170.70113.7C142 L143 D144 L160C142-K163 CarbonylContact C-O 3.44Å; L143-K163 PolarHBondContact N-O 3.48Å; L143-K163 WeakPolarHBondContact O-CB 3.49Å; D144-K163 WeakPolarHBondContact OD1-CD 3.47Å; D144-K163 IonicContact OD1-NZ 3.93Å; D144-K163 PolarHBondContact OD1-NZ 2.95Å; L160-K163 HydrophobicContact CB-CG 4.42Å; L160-K163 WeakPolarHBondContact O-CG 3.44Å
164F89.3Confident82.2Confident107 Ų10775.2 Ų75.247%0.46937%0.372SS..EExtended strand (participates in β ladder)trans-98.1132.4-176.7-60.2-84.1000110.7I141 C142 P244I141-F164 WeakPolarHBondContact O-CA 3.35Å; C142-F164 HydrophobicContact CB-CD1 3.84Å; C142-F164 HydrophobicContact CB-CE1 3.59Å; C142-F164 HydrophobicContact CB-CZ 4.42Å; F164-P244 HydrophobicContact CD1-CB 4.38Å; F164-P244 HydrophobicContact CD1-CG 4.35Å; F164-P244 HydrophobicContact CE1-CB 4.44Å; F164-P244 HydrophobicContact CE1-CG 3.96Å
165I90.8Very high84.5Confident34 Ų3470.4 Ų70.417%0.17435%0.349CS..EExtended strand (participates in β ladder)trans-131.7150.2173.362.2170.1000109.9A140 I141 L143 I176 F179A140-I165 WeakPolarHBondContact CA-O 3.09Å; I141-I165 HydrophobicContact CB-CG1 4.04Å; I141-I165 PolarHBondContact N-O 3.45Å; I141-I165 PolarHBondContact O-N 3.4Å; L143-I165 HydrophobicContact CD1-CD1 3.92Å; L143-I165 HydrophobicContact CD1-CG1 4.36Å; I165-I176 HydrophobicContact CD1-CD1 3.78Å; I165-F179 HydrophobicContact CG2-CE1 4.07Å; I165-F179 HydrophobicContact CG2-CZ 3.92Å
166R89.8Confident86.5Confident139 Ų13965.4 Ų65.453%0.52532%0.323SS..EExtended strand (participates in β ladder)trans-113.6129.4168-169.3172.182.5169.23.7108.1Q138 I139Q138-R166 HydrophobicContact CB-CG 4.04Å; I139-R166 WeakPolarHBondContact O-CA 3.48Å
167C90.2Very high87.9Confident20 Ų2063 Ų6314%0.13530%0.304CS..EExtended strand (participates in β ladder)trans-149.2168.1179.266.40000111.6Q138 I139 V171Q138-C167 WeakPolarHBondContact CA-O 3.46Å; Q138-C167 PolarHBondContact OE1-O 2.83Å; I139-C167 WeakPolarHBondContact CG2-O 3.44Å; I139-C167 PolarHBondContact N-O 2.9Å; I139-C167 PolarHBondContact O-N 2.65Å; I139-C167 VanDerWaalsContact O-N 3.11Å; C167-V171 HydrophobicContact CB-CG2 3.9Å
168S91.9Very high89Confident9 Ų969.7 Ų69.76%0.06333%0.332CS..EExtended strand (participates in β ladder)trans-55.8142.5170.8161.10000110.7D136 P137 R170 V171D136-S168 VanDerWaalsContact CB-OG 3.23Å; D136-S168 WeakPolarHBondContact CB-OG 3.44Å; D136-S168 PolarHBondContact OD2-OG 3.06Å; P137-S168 WeakPolarHBondContact O-CA 3.34Å; S168-R170 PolarHBondContact O-N 3.21Å; S168-R170 WeakPolarHBondContact OG-CB 3.38Å; S168-R170 PolarHBondContact OG-N 2.67Å; S168-V171 WeakPolarHBondContact O-CB 3.17Å; S168-V171 WeakPolarHBondContact O-CG2 3.16Å; S168-V171 PolarHBondContact O-N 3.4Å; S168-V171 VanDerWaalsContact O-N 3.13Å
169T89.9Confident89.8Confident4 Ų464.8 Ų64.83%0.02531%0.311CS..THydrogen-bonded Turntrans-62-19.4172.754.30000112.8P137 I139 V171 M207 E208P137-T169 HydrophobicContact CB-CG2 3.96Å; P137-T169 WeakPolarHBondContact O-CG2 3.49Å; P137-T169 PolarHBondContact O-N 2.97Å; P137-T169 PolarHBondContact O-OG1 3.41Å; I139-T169 HydrophobicContact CB-CG2 3.91Å; I139-T169 HydrophobicContact CG2-CG2 4.01Å; T169-V171 VanDerWaalsContact C-N 3.32Å; T169-M207 PolarHBondContact O-N 3.39Å; T169-E208 PolarHBondContact O-N 3.06Å
170R90.5Very high90.3Very high139 Ų13963.3 Ų63.353%0.52530%0.296SS..THydrogen-bonded Turntrans-78.4-11.3176-57.9-168.1-177.6168.2-2.3114D136 S168 T172D136-R170 IonicContact OD1-CZ 3.82Å; D136-R170 IonicContact OD1-NE 2.61Å; D136-R170 IonicContact OD1-NH1 3.71Å; D136-R170 IonicContact OD1-NH2 3.55Å; D136-R170 WeakPolarHBondContact OD2-CD 3.34Å; D136-R170 VanDerWaalsContact OD2-CG 3.31Å; D136-R170 WeakPolarHBondContact OD2-CG 3.45Å; D136-R170 IonicContact OD2-CZ 3.79Å; D136-R170 IonicContact OD2-NE 3.76Å; S168-R170 PolarHBondContact O-N 3.21Å; S168-R170 WeakPolarHBondContact OG-CB 3.38Å; S168-R170 PolarHBondContact OG-N 2.67Å; R170-T172 PolarHBondContact O-N 3.25Å
171V94Very high90.7Very high30 Ų3064 Ų6418%0.18230%0.302CS..  trans-57.4135.4176.5171.10000110C167 S168 T169 T175 I176 T206 M207C167-V171 HydrophobicContact CB-CG2 3.9Å; S168-V171 WeakPolarHBondContact O-CB 3.17Å; S168-V171 WeakPolarHBondContact O-CG2 3.16Å; S168-V171 PolarHBondContact O-N 3.4Å; S168-V171 VanDerWaalsContact O-N 3.13Å; T169-V171 VanDerWaalsContact C-N 3.32Å; V171-T175 HydrophobicContact CG1-CG2 4.03Å; V171-I176 HydrophobicContact CG1-CD1 3.86Å; V171-I176 HydrophobicContact CG1-CG1 4.13Å; V171-T206 CarbonylContact O-C 3.48Å; V171-T206 WeakPolarHBondContact O-CA 3.41Å; V171-M207 HydrophobicContact CB-CG 4.17Å; V171-M207 HydrophobicContact CG1-CG 4.44Å; V171-M207 VanDerWaalsContact O-CG 3.32Å; V171-M207 WeakPolarHBondContact O-CG 3.44Å; V171-M207 PolarHBondContact O-N 3.38Å
172T95.9Very high91.5Very high40 Ų4061.4 Ų61.425%0.24529%0.291CS..BIsolated β-bridgetrans-95.4161.2178.663.60000112.3R170 G174 T175 I176 K203 H205 T206R170-T172 PolarHBondContact O-N 3.25Å; T172-G174 PolarHBondContact O-N 3.17Å; T172-T175 WeakPolarHBondContact O-CB 3.46Å; T172-T175 PolarHBondContact O-N 3.38Å; T172-T175 PolarHBondContact OG1-N 3.18Å; T172-T175 PolarHBondContact OG1-OG1 3.14Å; T172-I176 PolarHBondContact O-N 2.83Å; T172-I176 VanDerWaalsContact O-N 3.12Å; T172-K203 WeakPolarHBondContact CB-O 3.34Å; T172-H205 CarbonylContact C-O 3.53Å; T172-H205 VanDerWaalsContact CA-O 3.23Å; T172-H205 WeakPolarHBondContact CA-O 3.36Å; T172-T206 HydrophobicContact CG2-CG2 4.2Å
173V95.6Very high91.8Very high0 Ų059.3 Ų59.30%028%0.282CS..Hα-helixtrans-56.6-36.7171.9174.40000111.5T175 I176 K177 V194 M201 G202 H205 M207 I210V173-T175 VanDerWaalsContact C-N 3.27Å; V173-T175 PolarHBondContact O-N 2.91Å; V173-I176 WeakPolarHBondContact O-CB 3.17Å; V173-I176 PolarHBondContact O-N 2.87Å; V173-I176 VanDerWaalsContact O-N 3.13Å; V173-K177 HydrophobicContact CG1-CD 4.36Å; V173-K177 HydrophobicContact CG1-CG 4.27Å; V173-K177 WeakPolarHBondContact O-CG 3.34Å; V173-K177 PolarHBondContact O-N 2.78Å; V173-V194 HydrophobicContact CG1-CB 3.81Å; V173-V194 HydrophobicContact CG1-CG1 4.3Å; V173-V194 HydrophobicContact CG1-CG2 4.11Å; V173-M201 HydrophobicContact CG1-CB 4.34Å; V173-M201 HydrophobicContact CG2-CB 3.74Å; V173-G202 WeakPolarHBondContact CB-O 3.41Å; V173-G202 WeakPolarHBondContact CG2-O 3.36Å; V173-H205 HydrophobicContact CG2-CB 4.13Å; V173-H205 PolarHBondContact N-O 2.61Å; V173-M207 HydrophobicContact CG2-CE 3.95Å; V173-I210 HydrophobicContact CG2-CD1 3.35Å
174G94.8Very high91.8Very high16 Ų1658 Ų5817%0.16528%0.278CS..Hα-helixtrans-57.1-41.6175.200000112.4T172 K177 K178 K203T172-G174 PolarHBondContact O-N 3.17Å; G174-K177 PolarHBondContact O-N 3.11Å; G174-K178 WeakPolarHBondContact O-CG 3.09Å; G174-K178 PolarHBondContact O-N 2.74Å; G174-K203 PolarHBondContact N-O 2.92Å
175T94.8Very high91.6Very high71 Ų7162 Ų6244%0.43630%0.295SS..Hα-helixtrans-67.8-39.3175.2-58.60000111.8V171 T172 V173 K178 F179V171-T175 HydrophobicContact CG1-CG2 4.03Å; T172-T175 WeakPolarHBondContact O-CB 3.46Å; T172-T175 PolarHBondContact O-N 3.38Å; T172-T175 PolarHBondContact OG1-N 3.18Å; T172-T175 PolarHBondContact OG1-OG1 3.14Å; V173-T175 VanDerWaalsContact C-N 3.27Å; V173-T175 PolarHBondContact O-N 2.91Å; T175-K178 PolarHBondContact O-N 3.34Å; T175-F179 WeakPolarHBondContact O-CB 3.32Å; T175-F179 PolarHBondContact O-N 2.84Å
176I95Very high91.3Very high4 Ų462.2 Ų62.22%0.02130%0.296CS..Hα-helixtrans-62.2-43.2173.5-60.9-59.1000111.5L143 I165 V171 T172 V173 F179 L180 V194 M207L143-I176 HydrophobicContact CD1-CG2 4.5Å; L143-I176 HydrophobicContact CD2-CG2 3.82Å; I165-I176 HydrophobicContact CD1-CD1 3.78Å; V171-I176 HydrophobicContact CG1-CD1 3.86Å; V171-I176 HydrophobicContact CG1-CG1 4.13Å; T172-I176 PolarHBondContact O-N 2.83Å; T172-I176 VanDerWaalsContact O-N 3.12Å; V173-I176 WeakPolarHBondContact O-CB 3.17Å; V173-I176 PolarHBondContact O-N 2.87Å; V173-I176 VanDerWaalsContact O-N 3.13Å; I176-F179 WeakPolarHBondContact O-CB 3.33Å; I176-F179 PolarHBondContact O-N 3.13Å; I176-L180 HydrophobicContact CG2-CD1 4.02Å; I176-L180 WeakPolarHBondContact O-CG 3.1Å; I176-L180 PolarHBondContact O-N 2.72Å; I176-V194 HydrophobicContact CG2-CG2 4.31Å; I176-M207 HydrophobicContact CG1-CE 3.62Å; I176-M207 HydrophobicContact CG1-SD 4.2Å
177K93.4Very high91Very high48 Ų4859.2 Ų59.221%0.20930%0.295CS..Hα-helixtrans-59.1-48.1175-72.1-175.8-178.2-155.50110.9V173 G174 F179 L180 S181 L192 D193 V194V173-K177 HydrophobicContact CG1-CD 4.36Å; V173-K177 HydrophobicContact CG1-CG 4.27Å; V173-K177 WeakPolarHBondContact O-CG 3.34Å; V173-K177 PolarHBondContact O-N 2.78Å; G174-K177 PolarHBondContact O-N 3.11Å; K177-F179 PolarHBondContact O-N 3.21Å; K177-L180 PolarHBondContact O-N 3.25Å; K177-S181 PolarHBondContact O-N 3.47Å; K177-S181 PolarHBondContact O-OG 2.84Å; K177-S181 VanDerWaalsContact O-OG 3.13Å; K177-L192 VanDerWaalsContact CD-O 3.3Å; K177-L192 WeakPolarHBondContact CD-O 3.44Å; K177-L192 WeakPolarHBondContact CE-O 3.45Å; K177-L192 PolarHBondContact NZ-O 3.26Å; K177-D193 IonicContact NZ-OD1 3.93Å; K177-V194 HydrophobicContact CG-CG2 3.72Å
178K91.9Very high90.4Very high150 Ų15064.6 Ų64.665%0.65233%0.333SS*.Hα-helixtrans-59.2-44.8175.6-71.9176.5-177.4179.20112.1G174 T175 L180 S181 L182G174-K178 WeakPolarHBondContact O-CG 3.09Å; G174-K178 PolarHBondContact O-N 2.74Å; T175-K178 PolarHBondContact O-N 3.34Å; K178-L180 PolarHBondContact O-N 2.87Å; K178-S181 PolarHBondContact O-N 2.93Å; K178-L182 WeakPolarHBondContact O-CG 3.45Å; K178-L182 PolarHBondContact O-N 3.25Å
179F93.6Very high89.8Confident63 Ų6369.1 Ų69.128%0.27637%0.365SS..Hα-helixtrans-58.7-46.4176.6170.3-97.9000111.8L143 L160 I165 T175 I176 K177 L182 K183L143-F179 HydrophobicContact CD1-CD1 4.14Å; L143-F179 HydrophobicContact CD1-CE1 3.94Å; L160-F179 HydrophobicContact CD1-CE1 4.31Å; I165-F179 HydrophobicContact CG2-CE1 4.07Å; I165-F179 HydrophobicContact CG2-CZ 3.92Å; T175-F179 WeakPolarHBondContact O-CB 3.32Å; T175-F179 PolarHBondContact O-N 2.84Å; I176-F179 WeakPolarHBondContact O-CB 3.33Å; I176-F179 PolarHBondContact O-N 3.13Å; K177-F179 PolarHBondContact O-N 3.21Å; F179-L182 PolarHBondContact O-N 3.39Å; F179-K183 HydrophobicContact CD1-CG 4.5Å; F179-K183 HydrophobicContact CD2-CG 4.08Å; F179-K183 HydrophobicContact CE1-CG 4.1Å; F179-K183 HydrophobicContact CE2-CD 4.31Å; F179-K183 HydrophobicContact CE2-CG 3.66Å; F179-K183 HydrophobicContact CG-CG 4.49Å; F179-K183 HydrophobicContact CZ-CD 4.45Å; F179-K183 HydrophobicContact CZ-CG 3.67Å; F179-K183 WeakPolarHBondContact O-CB 3.31Å; F179-K183 WeakPolarHBondContact O-CG 3.41Å; F179-K183 PolarHBondContact O-N 2.7Å
180L91.1Very high89.3Confident0 Ų071 Ų710%037%0.372CS..Hα-helixtrans-62-47.2177.2-76166.7000111.6L143 L160 I176 K177 K178 L182 K183 L184 L192 V194 Y249L143-L180 HydrophobicContact CD1-CD2 4.12Å; L143-L180 HydrophobicContact CD1-CG 4.46Å; L160-L180 HydrophobicContact CD1-CD2 3.63Å; L160-L180 HydrophobicContact CD2-CD2 4.47Å; L160-L180 HydrophobicContact CG-CD2 4.1Å; I176-L180 HydrophobicContact CG2-CD1 4.02Å; I176-L180 WeakPolarHBondContact O-CG 3.1Å; I176-L180 PolarHBondContact O-N 2.72Å; K177-L180 PolarHBondContact O-N 3.25Å; K178-L180 PolarHBondContact O-N 2.87Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3Å; L180-K183 PolarHBondContact O-N 3.21Å; L180-L184 HydrophobicContact CD2-CD1 4.23Å; L180-L184 VanDerWaalsContact O-CB 3.23Å; L180-L184 WeakPolarHBondContact O-CB 3.23Å; L180-L184 WeakPolarHBondContact O-CG 3.22Å; L180-L184 PolarHBondContact O-N 3.48Å; L180-L192 HydrophobicContact CB-CD1 3.56Å; L180-L192 HydrophobicContact CD1-CD1 4.33Å; L180-V194 HydrophobicContact CD1-CG2 4.29Å; L180-Y249 HydrophobicContact CD1-CD1 4.13Å; L180-Y249 HydrophobicContact CD1-CD2 4.2Å; L180-Y249 HydrophobicContact CD1-CG 3.77Å; L180-Y249 HydrophobicContact CD2-CD1 3.97Å; L180-Y249 HydrophobicContact CD2-CD2 4.18Å; L180-Y249 HydrophobicContact CD2-CE1 3.88Å; L180-Y249 HydrophobicContact CD2-CE2 4.09Å; L180-Y249 HydrophobicContact CD2-CG 4.11Å
181S89.9Confident89Confident33 Ų3369.3 Ų69.323%0.23137%0.37CS..Hα-helixtrans-58.7-43.1177.8-59.50000112.2K177 K178 K185 L186K177-S181 PolarHBondContact O-N 3.47Å; K177-S181 PolarHBondContact O-OG 2.84Å; K177-S181 VanDerWaalsContact O-OG 3.13Å; K178-S181 PolarHBondContact O-N 2.93Å; S181-K185 WeakPolarHBondContact O-CA 3.37Å; S181-K185 PolarHBondContact O-N 3.45Å; S181-L186 PolarHBondContact O-N 2.83Å
182L89.8Confident88.8Confident142 Ų14268.1 Ų68.174%0.74336%0.362SS*.Hα-helixtrans-67.5-46.3177.4-71.6171.7000112.3K178 F179 L180 L184 K185K178-L182 WeakPolarHBondContact O-CG 3.45Å; K178-L182 PolarHBondContact O-N 3.25Å; F179-L182 PolarHBondContact O-N 3.39Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3Å; L182-L184 PolarHBondContact O-N 3.39Å; L182-K185 PolarHBondContact O-N 3.44Å
183K89.1Confident88.6Confident135 Ų13566.8 Ų66.859%0.58735%0.354SS*.Hα-helixtrans-69.5-33.1-178.2-76.4-62.9-174.7-173.10113.2L160 F179 L180L160-K183 HydrophobicContact CD2-CB 3.79Å; F179-K183 HydrophobicContact CD1-CG 4.5Å; F179-K183 HydrophobicContact CD2-CG 4.08Å; F179-K183 HydrophobicContact CE1-CG 4.1Å; F179-K183 HydrophobicContact CE2-CD 4.31Å; F179-K183 HydrophobicContact CE2-CG 3.66Å; F179-K183 HydrophobicContact CG-CG 4.49Å; F179-K183 HydrophobicContact CZ-CD 4.45Å; F179-K183 HydrophobicContact CZ-CG 3.67Å; F179-K183 WeakPolarHBondContact O-CB 3.31Å; F179-K183 WeakPolarHBondContact O-CG 3.41Å; F179-K183 PolarHBondContact O-N 2.7Å; L180-K183 PolarHBondContact O-N 3.21Å
184L86Confident88.4Confident34 Ų3466.8 Ų66.818%0.17835%0.354CS..Hα-helixtrans-91.8-1.9179-61.3172.8000112.7V157 K158 L160 L180 L182 L186 Y249V157-L184 HydrophobicContact CG1-CD1 3.83Å; K158-L184 WeakPolarHBondContact O-CD2 3.35Å; L160-L184 HydrophobicContact CD2-CD2 3.73Å; L160-L184 HydrophobicContact CD2-CG 4.02Å; L160-L184 HydrophobicContact CG-CD2 4.3Å; L180-L184 HydrophobicContact CD2-CD1 4.23Å; L180-L184 VanDerWaalsContact O-CB 3.23Å; L180-L184 WeakPolarHBondContact O-CB 3.23Å; L180-L184 WeakPolarHBondContact O-CG 3.22Å; L180-L184 PolarHBondContact O-N 3.48Å; L182-L184 PolarHBondContact O-N 3.39Å; L184-L186 VanDerWaalsContact C-N 3.28Å; L184-L186 HydrophobicContact CB-CD1 4.15Å; L184-L186 HydrophobicContact CB-CD2 4.19Å; L184-L186 HydrophobicContact CB-CG 3.81Å; L184-L186 HydrophobicContact CD1-CD1 4.38Å; L184-L186 PolarHBondContact O-N 3.41Å; L184-Y249 HydrophobicContact CD1-CD2 4.49Å; L184-Y249 HydrophobicContact CD1-CE2 3.66Å
185K86.6Confident88.3Confident192 Ų19266.4 Ų66.484%0.83535%0.348SS*.THydrogen-bonded Turntrans53.145-178.8-56.7-178.4179.4-176.70112.2S181 L182S181-K185 WeakPolarHBondContact O-CA 3.37Å; S181-K185 PolarHBondContact O-N 3.45Å; L182-K185 PolarHBondContact O-N 3.44Å
186L84.5Confident88.1Confident37 Ų3763 Ų6319%0.19433%0.327CS..  trans-79.2145.3-179.6-59.1175.2000110.6S181 L184 Y190 L192S181-L186 PolarHBondContact O-N 2.83Å; L184-L186 VanDerWaalsContact C-N 3.28Å; L184-L186 HydrophobicContact CB-CD1 4.15Å; L184-L186 HydrophobicContact CB-CD2 4.19Å; L184-L186 HydrophobicContact CB-CG 3.81Å; L184-L186 HydrophobicContact CD1-CD1 4.38Å; L184-L186 PolarHBondContact O-N 3.41Å; L186-Y190 HydrophobicContact CB-CD1 4.45Å; L186-Y190 HydrophobicContact CB-CG 4.31Å; L186-Y190 HydrophobicContact CD1-CD1 3.82Å; L186-Y190 HydrophobicContact CD1-CE1 4.29Å; L186-Y190 HydrophobicContact CD1-CG 4.48Å; L186-Y190 HydrophobicContact CD2-CD1 4.4Å; L186-Y190 HydrophobicContact CG-CD1 4.45Å; L186-L192 HydrophobicContact CD1-CD1 3.78Å; L186-L192 HydrophobicContact CD1-CD2 3.94Å; L186-L192 HydrophobicContact CD1-CG 4.02Å
187P82.6Confident87.7Confident76 Ų7666.9 Ų66.949%0.49435%0.348SS..  trans-57.7155.1172.3-2333000112.4S189 Y190P187-S189 PolarHBondContact O-N 3.4Å; P187-Y190 WeakPolarHBondContact O-CB 3.42Å; P187-Y190 PolarHBondContact O-N 2.99Å
188S77.7Confident87.2Confident134 Ų13467.1 Ų67.194%0.93736%0.364SS*.THydrogen-bonded Turntrans-64-23.5177.650.90000113.9Y190S188-Y190 PolarHBondContact O-N 3.1Å
189S78.8Confident87Confident104 Ų10464.3 Ų64.373%0.72735%0.353SS*.THydrogen-bonded Turntrans-77-7.3172.754.20000113.6P187P187-S189 PolarHBondContact O-N 3.4Å
190Y80.8Confident87Confident43 Ų4365.2 Ų65.217%0.16936%0.36CS..  trans-89.5109.8-176.1-151-82.4000110.9N155 V157 L186 P187 S188 L192 P251N155-Y190 PolarHBondContact O-OH 3.35Å; V157-Y190 HydrophobicContact CG2-CD1 4.48Å; V157-Y190 HydrophobicContact CG2-CE1 3.4Å; V157-Y190 VanDerWaalsContact CG2-CE1 3.4Å; V157-Y190 WeakPolarHBondContact CG2-OH 3.35Å; L186-Y190 HydrophobicContact CB-CD1 4.45Å; L186-Y190 HydrophobicContact CB-CG 4.31Å; L186-Y190 HydrophobicContact CD1-CD1 3.82Å; L186-Y190 HydrophobicContact CD1-CE1 4.29Å; L186-Y190 HydrophobicContact CD1-CG 4.48Å; L186-Y190 HydrophobicContact CD2-CD1 4.4Å; L186-Y190 HydrophobicContact CG-CD1 4.45Å; P187-Y190 WeakPolarHBondContact O-CB 3.42Å; P187-Y190 PolarHBondContact O-N 2.99Å; S188-Y190 PolarHBondContact O-N 3.1Å; Y190-L192 HydrophobicContact CD1-CD2 4.2Å; Y190-L192 HydrophobicContact CE1-CD2 4.08Å; Y190-P251 HydrophobicContact CE1-CB 3.8Å; Y190-P251 HydrophobicContact CE1-CG 4.15Å; Y190-P251 VanDerWaalsContact OH-CB 3.3Å; Y190-P251 WeakPolarHBondContact OH-CB 3.37Å; Y190-P251 WeakPolarHBondContact OH-CG 3.39Å
191E84.4Confident87.1Confident103 Ų10365.3 Ų65.348%0.48136%0.36SS..  trans-91.7140.7176.2-64.8-159.7171.500112R252E191-R252 HydrophobicContact CB-CB 3.74Å; E191-R252 HydrophobicContact CB-CG 4.47Å; E191-R252 PolarHBondContact O-N 3.49Å; E191-R252 WeakPolarHBondContact OE2-CD 3.21Å; E191-R252 IonicContact OE2-CZ 3.48Å; E191-R252 IonicContact OE2-NE 3.61Å; E191-R252 IonicContact OE2-NH1 2.65Å; E191-R252 PolarHBondContact OE2-NH1 3.27Å
192L88.2Confident87.2Confident5 Ų565.3 Ų65.33%0.02637%0.365CS..EExtended strand (participates in β ladder)trans-115139.6177.9-70.2174.2000110.3V157 K177 L180 L186 Y190 R250V157-L192 HydrophobicContact CG2-CD2 4.11Å; K177-L192 VanDerWaalsContact CD-O 3.3Å; K177-L192 WeakPolarHBondContact CD-O 3.44Å; K177-L192 WeakPolarHBondContact CE-O 3.45Å; K177-L192 PolarHBondContact NZ-O 3.26Å; L180-L192 HydrophobicContact CB-CD1 3.56Å; L180-L192 HydrophobicContact CD1-CD1 4.33Å; L186-L192 HydrophobicContact CD1-CD1 3.78Å; L186-L192 HydrophobicContact CD1-CD2 3.94Å; L186-L192 HydrophobicContact CD1-CG 4.02Å; Y190-L192 HydrophobicContact CD1-CD2 4.2Å; Y190-L192 HydrophobicContact CE1-CD2 4.08Å; L192-R250 WeakPolarHBondContact CA-O 3.43Å
193D91.3Very high87.4Confident12 Ų1264.8 Ų64.86%0.06436%0.357CS..EExtended strand (participates in β ladder)trans-97.6136.2163.5-73.9-29000110K177 L195 I200 Y249 R250K177-D193 IonicContact NZ-OD1 3.93Å; D193-L195 HydrophobicContact CB-CD1 4.11Å; D193-I200 HydrophobicContact CB-CG2 4.43Å; D193-Y249 VanDerWaalsContact O-CA 3.23Å; D193-Y249 WeakPolarHBondContact O-CA 2.99Å; D193-R250 HydrophobicContact CB-CG 4.14Å; D193-R250 PolarHBondContact N-O 3.22Å; D193-R250 PolarHBondContact O-N 2.74Å
194V93Very high87.7Confident1 Ų164 Ų641%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-111.1129.2171.3176.60000106.9V173 I176 K177 L180 M201 L247 Q248V173-V194 HydrophobicContact CG1-CB 3.81Å; V173-V194 HydrophobicContact CG1-CG1 4.3Å; V173-V194 HydrophobicContact CG1-CG2 4.11Å; I176-V194 HydrophobicContact CG2-CG2 4.31Å; K177-V194 HydrophobicContact CG-CG2 3.72Å; L180-V194 HydrophobicContact CD1-CG2 4.29Å; V194-M201 PolarHBondContact O-N 2.81Å; V194-L247 HydrophobicContact CG1-CB 4.07Å; V194-L247 HydrophobicContact CG1-CD1 4.02Å; V194-L247 HydrophobicContact CG1-CG 4.5Å; V194-Q248 CarbonylContact C-O 3.6Å; V194-Q248 WeakPolarHBondContact CA-O 3.4Å
195L92.3Very high88.1Confident7 Ų764.9 Ų64.94%0.03736%0.362CS..EExtended strand (participates in β ladder)trans-121143.2-174-56.390.7000110.7D193 E199 I200 L247 Q248 R250D193-L195 HydrophobicContact CB-CD1 4.11Å; L195-E199 CarbonylContact C-O 3.51Å; L195-E199 WeakPolarHBondContact CA-O 3.4Å; L195-E199 WeakPolarHBondContact CB-O 3.42Å; L195-I200 HydrophobicContact CD2-CG1 4.06Å; L195-I200 HydrophobicContact CG-CG1 4.19Å; L195-L247 CarbonylContact O-C 3.57Å; L195-L247 WeakPolarHBondContact O-CA 3.36Å; L195-Q248 HydrophobicContact CB-CB 4.34Å; L195-Q248 PolarHBondContact N-O 3.32Å; L195-Q248 PolarHBondContact O-N 3.01Å; L195-R250 HydrophobicContact CD1-CG 3.87Å
196C90.7Very high88.5Confident1 Ų157.7 Ų57.71%0.00734%0.335CS..EExtended strand (participates in β ladder)trans-120.8122.1168.3-175.20000107.5G198 E199 M201 I210 R214 L247C196-G198 PolarHBondContact O-N 3.4Å; C196-G198 VanDerWaalsContact O-N 3.16Å; C196-E199 PolarHBondContact N-O 3.31Å; C196-E199 PolarHBondContact O-N 3.48Å; C196-M201 HydrophobicContact CB-CE 4.12Å; C196-M201 HydrophobicContact CB-CG 3.9Å; C196-M201 HydrophobicContact CB-SD 3.86Å; C196-I210 HydrophobicContact CB-CG2 3.82Å; C196-R214 HydrophobicContact CB-CB 4.44Å; C196-L247 HydrophobicContact CB-CD2 3.7Å
197N85.5Confident88.9Confident85 Ų8556 Ų5646%0.45533%0.325SS..THydrogen-bonded Turntrans51.636.9-176.9-65.4-33.1000114.1E199 R214N197-E199 VanDerWaalsContact C-N 3.31Å; N197-E199 PolarHBondContact O-N 2.87Å; N197-R214 PolarHBondContact ND2-O 3.03Å
198G84.1Confident89.3Confident52 Ų5255.9 Ų55.954%0.53632%0.318SS..THydrogen-bonded Turntrans82.5-2.7179.900000115.5C196C196-G198 PolarHBondContact O-N 3.4Å; C196-G198 VanDerWaalsContact O-N 3.16Å
199E88.2Confident89.9Confident92 Ų9253.2 Ų53.243%0.4329%0.29SS..EExtended strand (participates in β ladder)trans-98.7136.2177.1-172.1-177.9-178.300111.5L195 C196 N197 M201 R214L195-E199 CarbonylContact C-O 3.51Å; L195-E199 WeakPolarHBondContact CA-O 3.4Å; L195-E199 WeakPolarHBondContact CB-O 3.42Å; C196-E199 PolarHBondContact N-O 3.31Å; C196-E199 PolarHBondContact O-N 3.48Å; N197-E199 VanDerWaalsContact C-N 3.31Å; N197-E199 PolarHBondContact O-N 2.87Å; E199-M201 HydrophobicContact CB-CE 3.75Å; E199-M201 HydrophobicContact CG-CE 3.73Å; E199-M201 VanDerWaalsContact O-CE 3.22Å; E199-M201 WeakPolarHBondContact O-CE 3.49Å; E199-M201 PolarHBondContact O-N 3.13Å; E199-R214 IonicContact OE1-CZ 2.65Å; E199-R214 IonicContact OE1-NH1 2.83Å; E199-R214 PolarHBondContact OE1-NH1 2.91Å; E199-R214 IonicContact OE2-CZ 3.97Å; E199-R214 IonicContact OE2-NH1 3.21Å; E199-R214 PolarHBondContact OE2-NH1 2.82Å
200I92.1Very high90.5Very high82 Ų8248.2 Ų48.242%0.42126%0.255SS..EExtended strand (participates in β ladder)trans-72126.1178.8-59172.9000110.2D193 L195D193-I200 HydrophobicContact CB-CG2 4.43Å; L195-I200 HydrophobicContact CD2-CG1 4.06Å; L195-I200 HydrophobicContact CG-CG1 4.19Å
201M94.1Very high90.8Very high2 Ų247.8 Ų47.81%0.0125%0.253CS..PPolyproline II helixtrans-90.2132.8-179.7-61-66.8102.600111.5V173 V194 C196 E199 I210 R214V173-M201 HydrophobicContact CG1-CB 4.34Å; V173-M201 HydrophobicContact CG2-CB 3.74Å; V194-M201 PolarHBondContact O-N 2.81Å; C196-M201 HydrophobicContact CB-CE 4.12Å; C196-M201 HydrophobicContact CB-CG 3.9Å; C196-M201 HydrophobicContact CB-SD 3.86Å; E199-M201 HydrophobicContact CB-CE 3.75Å; E199-M201 HydrophobicContact CG-CE 3.73Å; E199-M201 VanDerWaalsContact O-CE 3.22Å; E199-M201 WeakPolarHBondContact O-CE 3.49Å; E199-M201 PolarHBondContact O-N 3.13Å; M201-I210 HydrophobicContact CB-CD1 4.11Å; M201-I210 HydrophobicContact CG-CD1 3.95Å; M201-I210 HydrophobicContact CG-CG1 4.4Å; M201-I210 HydrophobicContact SD-CD1 4.1Å; M201-I210 HydrophobicContact SD-CG1 3.88Å; M201-I210 HydrophobicContact SD-CG2 4.11Å; M201-R214 HydrophobicContact CE-CG 4.17Å; M201-R214 HydrophobicContact SD-CB 4.45Å; M201-R214 HydrophobicContact SD-CG 4Å
202G92.6Very high90.7Very high32 Ų3248.9 Ų48.933%0.3326%0.26SS..PPolyproline II helixtrans-64.9146.7175.600000112V173 D204 H205V173-G202 WeakPolarHBondContact CB-O 3.41Å; V173-G202 WeakPolarHBondContact CG2-O 3.36Å; G202-D204 PolarHBondContact O-N 3.12Å; G202-D204 VanDerWaalsContact O-N 3.15Å; G202-H205 PolarHBondContact N-ND1 3.04Å; G202-H205 WeakPolarHBondContact O-CB 3.38Å; G202-H205 PolarHBondContact O-N 3.34Å; G202-H205 VanDerWaalsContact O-N 3.13Å
203K93.4Very high90.5Very high131 Ų13151.2 Ų51.257%0.5728%0.275SS*.THydrogen-bonded Turntrans-58.5-29.5-175.268.8179-174.4177.40113.6T172 G174T172-K203 WeakPolarHBondContact CB-O 3.34Å; G174-K203 PolarHBondContact N-O 2.92Å
204D94.7Very high90.1Very high120 Ų12054.3 Ų54.364%0.64229%0.286SS*.THydrogen-bonded Turntrans-92-4.7-175.2-53.5-52.3000112.6G202 T206G202-D204 PolarHBondContact O-N 3.12Å; G202-D204 VanDerWaalsContact O-N 3.15Å; D204-T206 PolarHBondContact O-N 3.43Å
205H94.6Very high89.2Confident52 Ų5255.4 Ų55.424%0.24129%0.29CS..  trans-68128.9174.8-67174.8000110.6T172 V173 G202 F209 I210T172-H205 CarbonylContact C-O 3.53Å; T172-H205 VanDerWaalsContact CA-O 3.23Å; T172-H205 WeakPolarHBondContact CA-O 3.36Å; V173-H205 HydrophobicContact CG2-CB 4.13Å; V173-H205 PolarHBondContact N-O 2.61Å; G202-H205 PolarHBondContact N-ND1 3.04Å; G202-H205 WeakPolarHBondContact O-CB 3.38Å; G202-H205 PolarHBondContact O-N 3.34Å; G202-H205 VanDerWaalsContact O-N 3.13Å; H205-F209 HydrophobicContact CB-CD1 4.01Å; H205-F209 AromaticContact CD2-CE1 3.82Å; H205-F209 AromaticContact CE1-CE1 3.82Å; H205-F209 AromaticContact CG-CD1 3.8Å; H205-F209 AromaticContact CG-CE1 3.87Å; H205-F209 AromaticContact ND1-CE1 3.86Å; H205-F209 AromaticContact NE2-CE1 3.8Å; H205-I210 HydrophobicContact CB-CD1 3.96Å; H205-I210 HydrophobicContact CB-CG1 3.92Å
206T95Very high87.7Confident41 Ų4163.8 Ų63.825%0.25232%0.321SS..BIsolated β-bridgetrans-78.7158.6171.9620000111.4V171 T172 D204 E208 F209 I210V171-T206 CarbonylContact O-C 3.48Å; V171-T206 WeakPolarHBondContact O-CA 3.41Å; T172-T206 HydrophobicContact CG2-CG2 4.2Å; D204-T206 PolarHBondContact O-N 3.43Å; T206-E208 PolarHBondContact O-N 3.29Å; T206-F209 PolarHBondContact O-N 2.87Å; T206-F209 WeakPolarHBondContact OG1-CB 3.23Å; T206-F209 PolarHBondContact OG1-N 2.93Å; T206-F209 VanDerWaalsContact OG1-N 3.14Å; T206-I210 WeakPolarHBondContact O-CG1 3Å; T206-I210 PolarHBondContact O-N 3.13Å
207M93.3Very high85.9Confident0 Ų069.6 Ų69.60%035%0.351CS..Hα-helixtrans-61.9-36174.8-63.2-54.7114.800111.5I139 I141 T169 V171 V173 I176 I210 Y211 M245 L247I139-M207 HydrophobicContact CG2-CB 3.91Å; I139-M207 HydrophobicContact CG2-CG 4.45Å; I141-M207 HydrophobicContact CD1-CB 4.3Å; I141-M207 HydrophobicContact CD1-CG 3.55Å; I141-M207 HydrophobicContact CD1-SD 3.41Å; I141-M207 WeakPolarHBondContact CD1-SD 3.4Å; T169-M207 PolarHBondContact O-N 3.39Å; V171-M207 HydrophobicContact CB-CG 4.17Å; V171-M207 HydrophobicContact CG1-CG 4.44Å; V171-M207 VanDerWaalsContact O-CG 3.32Å; V171-M207 WeakPolarHBondContact O-CG 3.44Å; V171-M207 PolarHBondContact O-N 3.38Å; V173-M207 HydrophobicContact CG2-CE 3.95Å; I176-M207 HydrophobicContact CG1-CE 3.62Å; I176-M207 HydrophobicContact CG1-SD 4.2Å; M207-I210 HydrophobicContact CE-CD1 4.16Å; M207-I210 PolarHBondContact O-N 3.37Å; M207-Y211 VanDerWaalsContact O-CB 3.3Å; M207-Y211 WeakPolarHBondContact O-CB 3.48Å; M207-Y211 PolarHBondContact O-N 3.47Å; M207-M245 HydrophobicContact CB-CE 4.08Å; M207-M245 HydrophobicContact CG-CE 4.4Å; M207-M245 HydrophobicContact SD-CE 3.73Å; M207-L247 HydrophobicContact SD-CD1 3.87Å
208E90.2Very high83.8Confident74 Ų7475.4 Ų75.435%0.34637%0.367SS..Hα-helixtrans-57.8-51.4172-168.2168.6-125.500112T169 T206 I210 Y211 M212T169-E208 PolarHBondContact O-N 3.06Å; T206-E208 PolarHBondContact O-N 3.29Å; E208-I210 VanDerWaalsContact C-N 3.34Å; E208-I210 PolarHBondContact O-N 3.15Å; E208-Y211 PolarHBondContact O-N 3.39Å; E208-M212 HydrophobicContact CG-CG 4.39Å; E208-M212 HydrophobicContact CG-SD 3.91Å; E208-M212 WeakPolarHBondContact O-CB 3.33Å; E208-M212 WeakPolarHBondContact O-CG 3.42Å; E208-M212 PolarHBondContact O-N 3.35Å
209F91.1Very high81.5Confident78 Ų7876.9 Ų76.934%0.34238%0.382SS..Hα-helixtrans-60-45.3-179.4173.9-96.3000111.5H205 T206 Y211 M212 T213H205-F209 HydrophobicContact CB-CD1 4.01Å; H205-F209 AromaticContact CD2-CE1 3.82Å; H205-F209 AromaticContact CE1-CE1 3.82Å; H205-F209 AromaticContact CG-CD1 3.8Å; H205-F209 AromaticContact CG-CE1 3.87Å; H205-F209 AromaticContact ND1-CE1 3.86Å; H205-F209 AromaticContact NE2-CE1 3.8Å; T206-F209 PolarHBondContact O-N 2.87Å; T206-F209 WeakPolarHBondContact OG1-CB 3.23Å; T206-F209 PolarHBondContact OG1-N 2.93Å; T206-F209 VanDerWaalsContact OG1-N 3.14Å; F209-Y211 VanDerWaalsContact C-N 3.33Å; F209-M212 PolarHBondContact O-N 3Å; F209-T213 HydrophobicContact CD2-CG2 3.97Å; F209-T213 HydrophobicContact CE2-CG2 3.78Å; F209-T213 HydrophobicContact CZ-CG2 4.24Å; F209-T213 WeakPolarHBondContact O-CB 3.49Å; F209-T213 WeakPolarHBondContact O-CG2 3.45Å; F209-T213 PolarHBondContact O-N 3.5Å; F209-T213 PolarHBondContact O-OG1 3.4Å
210I90.9Very high79Confident0 Ų080.4 Ų80.40%040%0.398CS..Hα-helixtrans-63.3-44.5178.9-64.4170.4000110V173 C196 M201 H205 T206 M207 E208 R214 W215 M245 L247V173-I210 HydrophobicContact CG2-CD1 3.35Å; C196-I210 HydrophobicContact CB-CG2 3.82Å; M201-I210 HydrophobicContact CB-CD1 4.11Å; M201-I210 HydrophobicContact CG-CD1 3.95Å; M201-I210 HydrophobicContact CG-CG1 4.4Å; M201-I210 HydrophobicContact SD-CD1 4.1Å; M201-I210 HydrophobicContact SD-CG1 3.88Å; M201-I210 HydrophobicContact SD-CG2 4.11Å; H205-I210 HydrophobicContact CB-CD1 3.96Å; H205-I210 HydrophobicContact CB-CG1 3.92Å; T206-I210 WeakPolarHBondContact O-CG1 3Å; T206-I210 PolarHBondContact O-N 3.13Å; M207-I210 HydrophobicContact CE-CD1 4.16Å; M207-I210 PolarHBondContact O-N 3.37Å; E208-I210 VanDerWaalsContact C-N 3.34Å; E208-I210 PolarHBondContact O-N 3.15Å; I210-R214 HydrophobicContact CG2-CB 4.25Å; I210-R214 CarbonylContact O-C 3.55Å; I210-R214 WeakPolarHBondContact O-CA 3.47Å; I210-R214 WeakPolarHBondContact O-CB 3.23Å; I210-R214 PolarHBondContact O-N 3.32Å; I210-W215 PolarHBondContact O-N 2.84Å; I210-M245 HydrophobicContact CB-SD 4.25Å; I210-M245 HydrophobicContact CG2-CE 4.49Å; I210-M245 HydrophobicContact CG2-SD 3.8Å; I210-L247 HydrophobicContact CG2-CD2 4.12Å
211Y87Confident76.3Confident33 Ų3383.8 Ų83.813%0.12942%0.417CS..Hα-helixtrans-60.2-49.7178.1-173.9-78.4000111.2I139 M207 E208 F209 T213 W215 Y240 M245I139-Y211 HydrophobicContact CD1-CD2 3.66Å; I139-Y211 HydrophobicContact CD1-CE2 4.46Å; I139-Y211 HydrophobicContact CD1-CG 4.13Å; M207-Y211 VanDerWaalsContact O-CB 3.3Å; M207-Y211 WeakPolarHBondContact O-CB 3.48Å; M207-Y211 PolarHBondContact O-N 3.47Å; E208-Y211 PolarHBondContact O-N 3.39Å; F209-Y211 VanDerWaalsContact C-N 3.33Å; Y211-T213 PolarHBondContact O-N 2.87Å; Y211-W215 AromaticContact CD2-CD1 3.62Å; Y211-W215 HydrophobicContact CD2-CG 4.34Å; Y211-W215 AromaticContact CE2-CD1 3.63Å; Y211-W215 WeakPolarHBondContact O-CB 3.47Å; Y211-Y240 AromaticContact CD1-CD1 3.34Å; Y211-Y240 HydrophobicContact CD1-CD1 3.34Å; Y211-Y240 AromaticContact CD1-CE1 3.22Å; Y211-Y240 HydrophobicContact CD1-CE1 3.22Å; Y211-Y240 HydrophobicContact CD2-CD1 4.2Å; Y211-Y240 AromaticContact CE1-CD1 3.12Å; Y211-Y240 HydrophobicContact CE1-CD1 3.12Å; Y211-Y240 AromaticContact CE1-CE1 3.3Å; Y211-Y240 HydrophobicContact CE1-CE1 3.3Å; Y211-Y240 HydrophobicContact CE1-CG 4.37Å; Y211-Y240 HydrophobicContact CE2-CD1 4.02Å; Y211-Y240 AromaticContact CG-CD1 3.86Å; Y211-Y240 HydrophobicContact CG-CD1 3.86Å; Y211-Y240 HydrophobicContact CG-CE1 4Å; Y211-Y240 AromaticContact CZ-CD1 3.46Å; Y211-Y240 VanDerWaalsContact CZ-CD1 3.46Å; Y211-M245 HydrophobicContact CD2-CB 4.29Å; Y211-M245 HydrophobicContact CD2-SD 4.25Å
212M83.1Confident73.7Confident126 Ų12690.4 Ų90.462%0.62145%0.446SS*.Hα-helixtrans-70.3-32.5-175.1-69-1767400113.3E208 F209 Y240E208-M212 HydrophobicContact CG-CG 4.39Å; E208-M212 HydrophobicContact CG-SD 3.91Å; E208-M212 WeakPolarHBondContact O-CB 3.33Å; E208-M212 WeakPolarHBondContact O-CG 3.42Å; E208-M212 PolarHBondContact O-N 3.35Å; F209-M212 PolarHBondContact O-N 3Å; M212-Y240 HydrophobicContact CG-CE1 4.49Å
213T83.4Confident71Confident55 Ų5599.9 Ų99.934%0.33747%0.472SS..Hα-helixtrans-109.6-33.5-168.866.70000114.5F209 Y211F209-T213 HydrophobicContact CD2-CG2 3.97Å; F209-T213 HydrophobicContact CE2-CG2 3.78Å; F209-T213 HydrophobicContact CZ-CG2 4.24Å; F209-T213 WeakPolarHBondContact O-CB 3.49Å; F209-T213 WeakPolarHBondContact O-CG2 3.45Å; F209-T213 PolarHBondContact O-N 3.5Å; F209-T213 PolarHBondContact O-OG1 3.4Å; Y211-T213 PolarHBondContact O-N 2.87Å
214R82.8Confident68.1Low77 Ų7796.4 Ų96.429%0.29146%0.463SS..THydrogen-bonded Turntrans-112.7-33.5-171.4-51.7-52.3178.9122.34.3112.8C196 N197 E199 M201 I210 R216C196-R214 HydrophobicContact CB-CB 4.44Å; N197-R214 PolarHBondContact ND2-O 3.03Å; E199-R214 IonicContact OE1-CZ 2.65Å; E199-R214 IonicContact OE1-NH1 2.83Å; E199-R214 PolarHBondContact OE1-NH1 2.91Å; E199-R214 IonicContact OE2-CZ 3.97Å; E199-R214 IonicContact OE2-NH1 3.21Å; E199-R214 PolarHBondContact OE2-NH1 2.82Å; M201-R214 HydrophobicContact CE-CG 4.17Å; M201-R214 HydrophobicContact SD-CB 4.45Å; M201-R214 HydrophobicContact SD-CG 4Å; I210-R214 HydrophobicContact CG2-CB 4.25Å; I210-R214 CarbonylContact O-C 3.55Å; I210-R214 WeakPolarHBondContact O-CA 3.47Å; I210-R214 WeakPolarHBondContact O-CB 3.23Å; I210-R214 PolarHBondContact O-N 3.32Å; R214-R216 PolarHBondContact O-N 3.07Å
215W74.6Confident65.4Low23 Ų2399.4 Ų99.49%0.08747%0.474CS..  trans-79.468174.9-168.6-112.3000110.3I210 Y211 L217 F222 M245 V246I210-W215 PolarHBondContact O-N 2.84Å; Y211-W215 AromaticContact CD2-CD1 3.62Å; Y211-W215 HydrophobicContact CD2-CG 4.34Å; Y211-W215 AromaticContact CE2-CD1 3.63Å; Y211-W215 WeakPolarHBondContact O-CB 3.47Å; W215-L217 PolarHBondContact O-N 3.48Å; W215-F222 HydrophobicContact CH2-CE1 4.1Å; W215-F222 HydrophobicContact CH2-CE2 4.14Å; W215-F222 AromaticContact CH2-CZ 3.72Å; W215-F222 HydrophobicContact CH2-CZ 3.72Å; W215-F222 HydrophobicContact CZ3-CE2 4.44Å; W215-F222 AromaticContact CZ3-CZ 4Å; W215-F222 HydrophobicContact CZ3-CZ 4Å; W215-M245 HydrophobicContact CB-CG 4.29Å; W215-M245 HydrophobicContact CB-SD 4.22Å; W215-M245 HydrophobicContact CD2-CB 4.36Å; W215-M245 HydrophobicContact CD2-CG 3.75Å; W215-M245 HydrophobicContact CE3-CG 4.03Å; W215-M245 HydrophobicContact CG-CB 4.49Å; W215-M245 HydrophobicContact CG-CG 3.85Å; W215-M245 HydrophobicContact CG-SD 4.36Å; W215-V246 HydrophobicContact CH2-CB 3.52Å; W215-V246 HydrophobicContact CH2-CG2 3.65Å; W215-V246 HydrophobicContact CZ2-CB 4.48Å; W215-V246 HydrophobicContact CZ2-CG2 4.3Å; W215-V246 HydrophobicContact CZ3-CB 3.81Å; W215-V246 HydrophobicContact CZ3-CG2 4.45Å; W215-V246 WeakPolarHBondContact CZ3-O 3.3Å
216R60.9Low62.8Low184 Ų184103.6 Ų103.669%0.69450%0.498SS*.  trans-70.5121173.5-65.1-176-176.8-177.21.9108.5R214 R218R214-R216 PolarHBondContact O-N 3.07Å; R216-R218 PolarHBondContact O-N 3.27Å
217L52.4Low60Low122 Ų122105.1 Ų105.164%0.63951%0.509SS*.  trans-6378.2163.1-67.3168.3000108.6W215 G219W215-L217 PolarHBondContact O-N 3.48Å; L217-G219 PolarHBondContact O-N 2.73Å; L217-G219 VanDerWaalsContact O-N 3.14Å
218R41.9Very low57.3Low208 Ų208110.7 Ų110.779%0.78555%0.548SS*.  trans-69108.5163.8-80.3-170.9177.5-123.84.1105.9R216 E220R216-R218 PolarHBondContact O-N 3.27Å; R218-E220 PolarHBondContact O-N 3.38Å
219G35.9Very low54.5Low83 Ų83111.1 Ų111.186%0.85656%0.559SS**SBendtrans-65.120.6-174.100000116.4L217L217-G219 PolarHBondContact O-N 2.73Å; L217-G219 VanDerWaalsContact O-N 3.14Å
220E35.2Very low51.9Low166 Ų166113.6 Ų113.678%0.77659%0.586SS**SBendtrans-142.3117.1177.5-67.6-178.7133.700109.6R218R218-E220 PolarHBondContact O-N 3.38Å
221N35.6Very low49.4Very low153 Ų153121.4 Ų121.482%0.81862%0.623SS**  trans73.160.8160-54.7-44000119.1R223N221-R223 PolarHBondContact O-N 3.01Å
222F38.4Very low46.9Very low141 Ų141125.4 Ų125.462%0.61865%0.65SS**  trans-83.786.1155.7-122.7-90.6000110.6W215 C224 V246W215-F222 HydrophobicContact CH2-CE1 4.1Å; W215-F222 HydrophobicContact CH2-CE2 4.14Å; W215-F222 AromaticContact CH2-CZ 3.72Å; W215-F222 HydrophobicContact CH2-CZ 3.72Å; W215-F222 HydrophobicContact CZ3-CE2 4.44Å; W215-F222 AromaticContact CZ3-CZ 4Å; W215-F222 HydrophobicContact CZ3-CZ 4Å; F222-C224 PolarHBondContact O-N 3.41Å; F222-V246 HydrophobicContact CE1-CB 4.37Å; F222-V246 HydrophobicContact CE1-CG2 4.16Å
223R35.7Very low44.6Very low231 Ų231123.7 Ų123.787%0.87265%0.65SS**  trans-85.1100.2161.4-97.8178.8161.1-176.9-5.1107.9N221 Q225N221-R223 PolarHBondContact O-N 3.01Å; R223-Q225 PolarHBondContact O-N 2.97Å
224C34.1Very low42Very low57 Ų57124.6 Ų124.639%0.38566%0.659SS.*  trans-64.3104.8159.7-175.40000107F222 N226 C227F222-C224 PolarHBondContact O-N 3.41Å; C224-N226 PolarHBondContact O-N 2.94Å; C224-C227 HydrophobicContact CB-CB 3.68Å; C224-C227 PolarHBondContact O-N 3.36Å; C224-C227 VanDerWaalsContact SG-CB 3.56Å
225Q36.3Very low40.1Very low184 Ų184125 Ų12586%0.8666%0.664SS**THydrogen-bonded Turntrans-63.1-3.3-175.3-78-179.9-17.700114R223R223-Q225 PolarHBondContact O-N 2.97Å
226N40.1Very low38.2Very low139 Ų139128 Ų12874%0.74368%0.682SS**THydrogen-bonded Turntrans-136.217.8179.5-73.7-40.9000114.1C224C224-N226 PolarHBondContact O-N 2.94Å
227C37.8Very low36.8Very low73 Ų73121.8 Ų121.849%0.49368%0.675SS.*  trans-102.189.6174.2-162.10000109.8C224C224-C227 HydrophobicContact CB-CB 3.68Å; C224-C227 PolarHBondContact O-N 3.36Å; C224-C227 VanDerWaalsContact SG-CB 3.56Å
228S35.5Very low36Very low117 Ų117120.4 Ų120.482%0.81867%0.671SS**  trans-99.230.5173.251.70000112.1
229S32.3Very low36.1Very low83 Ų83120.4 Ų120.458%0.5868%0.678SS**  trans-148.8117.9179.7-58.70000113Q231S229-Q231 PolarHBondContact O-N 3.26Å; S229-Q231 VanDerWaalsContact O-N 3.13Å
230S36.5Very low36.5Very low130 Ų130118.7 Ų118.791%0.90965%0.645SS**  trans-61.497.2165.3-560000110.7
231Q38.3Very low37.1Very low164 Ų164114.1 Ų114.177%0.76662%0.624SS**  trans-166.3124.6165.3-112.8172.9200105.5S229S229-Q231 PolarHBondContact O-N 3.26Å; S229-Q231 VanDerWaalsContact O-N 3.13Å
232V33.1Very low37.9Very low117 Ų117110.8 Ų110.871%0.70961%0.613SS**  cis-159136.847.6170.50000108.6
233C35.7Very low39.2Very low90 Ų90112 Ų11261%0.60862%0.615SS**  trans-79.8135.5157.7-790000109.6K40K40-C233 PolarHBondContact NZ-SG 2.95Å; K40-C233 VanDerWaalsContact NZ-SG 3.44Å
234S29.5Very low41.4Very low75 Ų75103.2 Ų103.252%0.52459%0.587SS.*  trans-148.2110.9145.7-66.60000106.1Q241S234-Q241 PolarHBondContact O-OE1 2.88Å
235Q42.2Very low44Very low84 Ų84100.5 Ų100.539%0.39357%0.569SS.*  trans-87.4104.9176.3-77.2166.8-13.600106.5
236D34.9Very low46.5Very low87 Ų8793 Ų9347%0.46554%0.535SS..  trans-157.1111.4167.2-86.8-38.9000108.2Q241D236-Q241 PolarHBondContact O-NE2 3.48Å; D236-Q241 VanDerWaalsContact O-NE2 3.16Å; D236-Q241 PolarHBondContact O-OE1 3.45Å
237G32.3Very low49Very low53 Ų5386.4 Ų86.455%0.54650%0.5SS..SBendtrans81.6125.8149.800000118.8
238T35Very low51.5Low93 Ų9386 Ų8657%0.57149%0.491SS*.SBendtrans5198.5152.452.70000118.6Y240T238-Y240 WeakPolarHBondContact O-CD2 3.33Å; T238-Y240 PolarHBondContact O-N 2.91Å
239F42.9Very low54.2Low209 Ų20980.4 Ų80.492%0.91745%0.452SS*.SBendtrans50.4-0.4147.3-117.2-96.6000120.7
240Y45.2Very low56.8Low46 Ų4679.4 Ų79.418%0.1844%0.436CS..  trans-133.545.1-170.2-69-82.6000112.1Y211 M212 T238Y211-Y240 AromaticContact CD1-CD1 3.34Å; Y211-Y240 HydrophobicContact CD1-CD1 3.34Å; Y211-Y240 AromaticContact CD1-CE1 3.22Å; Y211-Y240 HydrophobicContact CD1-CE1 3.22Å; Y211-Y240 HydrophobicContact CD2-CD1 4.2Å; Y211-Y240 AromaticContact CE1-CD1 3.12Å; Y211-Y240 HydrophobicContact CE1-CD1 3.12Å; Y211-Y240 AromaticContact CE1-CE1 3.3Å; Y211-Y240 HydrophobicContact CE1-CE1 3.3Å; Y211-Y240 HydrophobicContact CE1-CG 4.37Å; Y211-Y240 HydrophobicContact CE2-CD1 4.02Å; Y211-Y240 AromaticContact CG-CD1 3.86Å; Y211-Y240 HydrophobicContact CG-CD1 3.86Å; Y211-Y240 HydrophobicContact CG-CE1 4Å; Y211-Y240 AromaticContact CZ-CD1 3.46Å; Y211-Y240 VanDerWaalsContact CZ-CD1 3.46Å; M212-Y240 HydrophobicContact CG-CE1 4.49Å; T238-Y240 WeakPolarHBondContact O-CD2 3.33Å; T238-Y240 PolarHBondContact O-N 2.91Å
241Q47.4Very low59.1Low70 Ų7074.5 Ų74.533%0.32740%0.401SS..  trans-151.842.4-167.1-129.5171.849.800117.4S234 D236S234-Q241 PolarHBondContact O-OE1 2.88Å; D236-Q241 PolarHBondContact O-NE2 3.48Å; D236-Q241 VanDerWaalsContact O-NE2 3.16Å; D236-Q241 PolarHBondContact O-OE1 3.45Å
242S53.6Low61.2Low83 Ų8372.6 Ų72.658%0.5839%0.386SS*.SBendtrans-94-31.2162.943.50000112.8
243Y64.4Low62.9Low168 Ų16870.4 Ų70.466%0.65937%0.37SS*.SBendtrans-147.5142179.2-64.4-81.4000111.7M245Y243-M245 PolarHBondContact O-N 3.4Å
244P82.1Confident64Low45 Ų4572 Ų7229%0.29237%0.372SS..PPolyproline II helixtrans-63.4136.1174.327.1-32.8000110.2A140 F164 V246A140-P244 HydrophobicContact CB-CB 4.19Å; A140-P244 CarbonylContact O-C 3.59Å; A140-P244 VanDerWaalsContact O-CA 3.3Å; A140-P244 WeakPolarHBondContact O-CA 3.23Å; F164-P244 HydrophobicContact CD1-CB 4.38Å; F164-P244 HydrophobicContact CD1-CG 4.35Å; F164-P244 HydrophobicContact CE1-CB 4.44Å; F164-P244 HydrophobicContact CE1-CG 3.96Å; P244-V246 PolarHBondContact O-N 3.29Å
245M88.1Confident65Low1 Ų177.3 Ų77.31%0.00539%0.386CS..EExtended strand (participates in β ladder)trans-64.7124172.8179.9174.363.400108.9I139 A140 I141 C142 M207 I210 Y211 W215 Y243 L247I139-M245 HydrophobicContact CD1-CB 4.32Å; I139-M245 HydrophobicContact CD1-CE 3.93Å; I139-M245 HydrophobicContact CD1-SD 4.36Å; A140-M245 PolarHBondContact O-N 2.84Å; I141-M245 CarbonylContact C-O 3.5Å; I141-M245 VanDerWaalsContact CA-O 3.29Å; I141-M245 WeakPolarHBondContact CA-O 3.4Å; I141-M245 HydrophobicContact CD1-CE 4.08Å; I141-M245 HydrophobicContact CG1-CE 4.02Å; I141-M245 WeakPolarHBondContact CG2-O 3.17Å; C142-M245 PolarHBondContact N-O 2.86Å; M207-M245 HydrophobicContact CB-CE 4.08Å; M207-M245 HydrophobicContact CG-CE 4.4Å; M207-M245 HydrophobicContact SD-CE 3.73Å; I210-M245 HydrophobicContact CB-SD 4.25Å; I210-M245 HydrophobicContact CG2-CE 4.49Å; I210-M245 HydrophobicContact CG2-SD 3.8Å; Y211-M245 HydrophobicContact CD2-CB 4.29Å; Y211-M245 HydrophobicContact CD2-SD 4.25Å; W215-M245 HydrophobicContact CB-CG 4.29Å; W215-M245 HydrophobicContact CB-SD 4.22Å; W215-M245 HydrophobicContact CD2-CB 4.36Å; W215-M245 HydrophobicContact CD2-CG 3.75Å; W215-M245 HydrophobicContact CE3-CG 4.03Å; W215-M245 HydrophobicContact CG-CB 4.49Å; W215-M245 HydrophobicContact CG-CG 3.85Å; W215-M245 HydrophobicContact CG-SD 4.36Å; Y243-M245 PolarHBondContact O-N 3.4Å; M245-L247 HydrophobicContact CE-CD1 4.22Å; M245-L247 HydrophobicContact CE-CD2 4.45Å; M245-L247 HydrophobicContact CE-CG 4.37Å; M245-L247 HydrophobicContact CG-CD2 4.41Å; M245-L247 HydrophobicContact SD-CD2 4.49Å
246V89.8Confident64.9Low26 Ų2680.3 Ų80.316%0.15844%0.439CS..EExtended strand (participates in β ladder)trans-93.1118.5-178.7-175.50000109.4C142 W215 F222 P244C142-V246 HydrophobicContact CB-CG2 4.15Å; W215-V246 HydrophobicContact CH2-CB 3.52Å; W215-V246 HydrophobicContact CH2-CG2 3.65Å; W215-V246 HydrophobicContact CZ2-CB 4.48Å; W215-V246 HydrophobicContact CZ2-CG2 4.3Å; W215-V246 HydrophobicContact CZ3-CB 3.81Å; W215-V246 HydrophobicContact CZ3-CG2 4.45Å; W215-V246 WeakPolarHBondContact CZ3-O 3.3Å; F222-V246 HydrophobicContact CE1-CB 4.37Å; F222-V246 HydrophobicContact CE1-CG2 4.16Å; P244-V246 PolarHBondContact O-N 3.29Å
247L92.6Very high66.4Low0 Ų080 Ų800%044%0.438CS..EExtended strand (participates in β ladder)trans-111.6135.1169.4-60.1-178.3000109.1I141 C142 L143 D144 V194 L195 C196 M207 I210 M245I141-L247 HydrophobicContact CG2-CB 4.36Å; I141-L247 HydrophobicContact CG2-CD1 3.91Å; I141-L247 HydrophobicContact CG2-CG 3.97Å; C142-L247 PolarHBondContact O-N 3.13Å; C142-L247 VanDerWaalsContact O-O 3.1Å; L143-L247 WeakPolarHBondContact CA-O 3.36Å; L143-L247 HydrophobicContact CD2-CB 4.18Å; D144-L247 PolarHBondContact N-O 2.88Å; V194-L247 HydrophobicContact CG1-CB 4.07Å; V194-L247 HydrophobicContact CG1-CD1 4.02Å; V194-L247 HydrophobicContact CG1-CG 4.5Å; L195-L247 CarbonylContact O-C 3.57Å; L195-L247 WeakPolarHBondContact O-CA 3.36Å; C196-L247 HydrophobicContact CB-CD2 3.7Å; M207-L247 HydrophobicContact SD-CD1 3.87Å; I210-L247 HydrophobicContact CG2-CD2 4.12Å; M245-L247 HydrophobicContact CE-CD1 4.22Å; M245-L247 HydrophobicContact CE-CD2 4.45Å; M245-L247 HydrophobicContact CE-CG 4.37Å; M245-L247 HydrophobicContact CG-CD2 4.41Å; M245-L247 HydrophobicContact SD-CD2 4.49Å
248Q91.1Very high68.1Low64 Ų6481.4 Ų81.430%0.29943%0.432SS..EExtended strand (participates in β ladder)trans-96.9147.4174.1-68.5171.5-28.500109.5D144 L146 V194 L195D144-Q248 HydrophobicContact CB-CG 4.35Å; D144-Q248 CarbonylContact O-C 3.57Å; D144-Q248 WeakPolarHBondContact O-CA 3.34Å; L146-Q248 HydrophobicContact CD1-CB 4.14Å; L146-Q248 VanDerWaalsContact CD1-CD 3.44Å; L146-Q248 HydrophobicContact CD1-CG 4.16Å; V194-Q248 CarbonylContact C-O 3.6Å; V194-Q248 WeakPolarHBondContact CA-O 3.4Å; L195-Q248 HydrophobicContact CB-CB 4.34Å; L195-Q248 PolarHBondContact N-O 3.32Å; L195-Q248 PolarHBondContact O-N 3.01Å
249Y91.3Very high70Confident1 Ų180.7 Ų80.70%0.00443%0.425CS..EExtended strand (participates in β ladder)trans-131.2146.1172.568.6-87.1000111.5L143 D144 C145 L146 V157 K158 G159 L160 L180 L184 D193L143-Y249 HydrophobicContact CB-CD1 4.21Å; L143-Y249 HydrophobicContact CB-CE1 4.13Å; D144-Y249 WeakPolarHBondContact O-CD1 3.3Å; D144-Y249 PolarHBondContact O-N 2.95Å; C145-Y249 HydrophobicContact CB-CE1 4.04Å; C145-Y249 HydrophobicContact CB-CE2 4.02Å; L146-Y249 PolarHBondContact N-O 2.84Å; V157-Y249 HydrophobicContact CG1-CD2 4.05Å; V157-Y249 HydrophobicContact CG1-CE2 3.53Å; K158-Y249 PolarHBondContact O-OH 3.02Å; K158-Y249 VanDerWaalsContact O-OH 3.1Å; G159-Y249 WeakPolarHBondContact CA-OH 3.29Å; L160-Y249 PolarHBondContact N-OH 2.91Å; L180-Y249 HydrophobicContact CD1-CD1 4.13Å; L180-Y249 HydrophobicContact CD1-CD2 4.2Å; L180-Y249 HydrophobicContact CD1-CG 3.77Å; L180-Y249 HydrophobicContact CD2-CD1 3.97Å; L180-Y249 HydrophobicContact CD2-CD2 4.18Å; L180-Y249 HydrophobicContact CD2-CE1 3.88Å; L180-Y249 HydrophobicContact CD2-CE2 4.09Å; L180-Y249 HydrophobicContact CD2-CG 4.11Å; L184-Y249 HydrophobicContact CD1-CD2 4.49Å; L184-Y249 HydrophobicContact CD1-CE2 3.66Å; D193-Y249 VanDerWaalsContact O-CA 3.23Å; D193-Y249 WeakPolarHBondContact O-CA 2.99Å
250R87Confident71.6Confident62 Ų6273.2 Ų73.223%0.23440%0.396CS..EExtended strand (participates in β ladder)trans-148.9161.2178.168.3176.1-173.6-175.90.9110.7L146 L192 D193 L195 R252L146-R250 HydrophobicContact CB-CB 4.14Å; L192-R250 WeakPolarHBondContact CA-O 3.43Å; D193-R250 HydrophobicContact CB-CG 4.14Å; D193-R250 PolarHBondContact N-O 3.22Å; D193-R250 PolarHBondContact O-N 2.74Å; L195-R250 HydrophobicContact CD1-CG 3.87Å; R250-R252 PolarHBondContact O-N 3.25Å
251P85.1Confident73.2Confident27 Ų2774.9 Ų74.918%0.17541%0.409CS..EExtended strand (participates in β ladder)trans-53.4138164.5-15.725.5000110.4V157 Y190 I253V157-P251 HydrophobicContact CB-CG 4.21Å; V157-P251 HydrophobicContact CG2-CB 4.46Å; V157-P251 HydrophobicContact CG2-CG 3.59Å; Y190-P251 HydrophobicContact CE1-CB 3.8Å; Y190-P251 HydrophobicContact CE1-CG 4.15Å; Y190-P251 VanDerWaalsContact OH-CB 3.3Å; Y190-P251 WeakPolarHBondContact OH-CB 3.37Å; Y190-P251 WeakPolarHBondContact OH-CG 3.39Å; P251-I253 PolarHBondContact O-N 2.96Å
252R81.7Confident75Confident124 Ų12475.2 Ų75.247%0.46842%0.415SS..  trans-63.6129.7167-169.5177.7-176.6171-2.6107.8E191 R250 D254E191-R252 HydrophobicContact CB-CB 3.74Å; E191-R252 HydrophobicContact CB-CG 4.47Å; E191-R252 PolarHBondContact O-N 3.49Å; E191-R252 WeakPolarHBondContact OE2-CD 3.21Å; E191-R252 IonicContact OE2-CZ 3.48Å; E191-R252 IonicContact OE2-NE 3.61Å; E191-R252 IonicContact OE2-NH1 2.65Å; E191-R252 PolarHBondContact OE2-NH1 3.27Å; R250-R252 PolarHBondContact O-N 3.25Å; R252-D254 IonicContact NE-OD1 3.88Å
253I68.3Low76.5Confident71 Ų7174.6 Ų74.636%0.36440%0.403SS..  trans-98.5106.9176.8-56.9171.2000106P251 F255P251-I253 PolarHBondContact O-N 2.96Å; I253-F255 HydrophobicContact CB-CE2 4.48Å; I253-F255 HydrophobicContact CG2-CD2 4.48Å; I253-F255 HydrophobicContact CG2-CE1 4.38Å; I253-F255 HydrophobicContact CG2-CE2 4.12Å; I253-F255 HydrophobicContact CG2-CZ 4.08Å; I253-F255 PolarHBondContact O-N 3.15Å
254D60.4Low77.4Confident122 Ų12267.5 Ų67.565%0.65238%0.383SS*.  trans-77.8109.4170.9-63.2-35.8000108R252 G256R252-D254 IonicContact NE-OD1 3.88Å; D254-G256 VanDerWaalsContact C-N 3.3Å; D254-G256 PolarHBondContact O-N 2.65Å; D254-G256 VanDerWaalsContact O-N 3.15Å
255F50.5Low77Confident188 Ų18869.3 Ų69.383%0.82539%0.391SS*.  trans-77.993162-63.3-82.7000105.9I253I253-F255 HydrophobicContact CB-CE2 4.48Å; I253-F255 HydrophobicContact CG2-CD2 4.48Å; I253-F255 HydrophobicContact CG2-CE1 4.38Å; I253-F255 HydrophobicContact CG2-CE2 4.12Å; I253-F255 HydrophobicContact CG2-CZ 4.08Å; I253-F255 PolarHBondContact O-N 3.15Å
256G38.4Very low76Confident146 Ų14675.5 Ų75.5100%1.50543%0.426SS*.  trans-58.80168.600000112D254D254-G256 VanDerWaalsContact C-N 3.3Å; D254-G256 PolarHBondContact O-N 2.65Å; D254-G256 VanDerWaalsContact O-N 3.15Å

Retrieved 256 of 256 residues in 1500.8 ms (Link to these results)

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