A0A068BIU3_MOUSE Loading...

MHC class II antigen E beta

AlphaFold DB , UniProt , Accession A0A068BIU3, Species MOUSE (Mus musculus, Mouse), Gene H2-Eb1, Length 264 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.3Very low53.3Low242 Ų242147.9 Ų147.9100%1.19276%0.757SS**  0111.70-87.6167.6169.500108.1
2M34.3Very low54.7Low194 Ų194139.4 Ų139.496%0.95673%0.726SS**  trans-163.898.6153-102.3168.287.400105.8
3W35.4Very low55.8Low252 Ų252135.2 Ų135.296%0.95571%0.709SS**  trans-79.3117.1176.7-122.838.7000107.3
4L40.1Very low56.5Low166 Ų166132.4 Ų132.487%0.86969%0.694SS**  trans-88.3112.9163.8-85.3149.3000106.9R6L4-R6 PolarHBondContact O-N 2.63Å
5P49.3Very low57Low98 Ų98130.7 Ų130.764%0.63669%0.685SS**  trans-68.2127.3177.528.1-30.7000108.3V7P5-V7 PolarHBondContact O-N 3.4Å
6R58.3Low57.4Low247 Ų247129.3 Ų129.393%0.93268%0.678SS**  trans-63.897.4169.6-85.6178167.7154.1-4.1108.1L4 P8L4-R6 PolarHBondContact O-N 2.63Å; R6-P8 WeakPolarHBondContact O-CD 3.3Å
7V57.4Low57.7Low90 Ų90127.5 Ų127.555%0.54567%0.668SS.*  trans-65.8121168.6-177.70000106.9P5 A11P5-V7 PolarHBondContact O-N 3.4Å; V7-A11 HydrophobicContact CG1-CB 3.63Å
8P70.1Confident58Low88 Ų88125.5 Ų125.557%0.57166%0.662SS**  trans-59.5141.6178.6-17.828.5000109.8R6 V10 A11 A12R6-P8 WeakPolarHBondContact O-CD 3.3Å; P8-V10 PolarHBondContact O-N 3.18Å; P8-A11 WeakPolarHBondContact O-CB 3.29Å; P8-A11 PolarHBondContact O-N 3.4Å; P8-A12 PolarHBondContact O-N 2.97Å
9C65.4Low58.3Low110 Ų110125.1 Ų125.174%0.74367%0.665SS**Hα-helixtrans-47.9-33.1178.5-87.70000113.1A11 A12 V13C9-A11 PolarHBondContact O-N 3.12Å; C9-A12 PolarHBondContact O-N 3.5Å; C9-V13 VanDerWaalsContact O-CG2 3.31Å; C9-V13 WeakPolarHBondContact O-CG2 3.08Å; C9-V13 PolarHBondContact O-N 2.69Å
10V66.9Low58.5Low104 Ų104125.1 Ų125.163%0.6366%0.664SS**Hα-helixtrans-62.1-41.2177.4-172.60000112P8 V13 I14P8-V10 PolarHBondContact O-N 3.18Å; V10-V13 PolarHBondContact O-N 3.1Å; V10-I14 HydrophobicContact CG1-CD1 3.92Å; V10-I14 VanDerWaalsContact O-CG1 3.24Å; V10-I14 WeakPolarHBondContact O-CG1 3.3Å; V10-I14 PolarHBondContact O-N 2.92Å
11A67.2Low58.6Low36 Ų36122.3 Ų122.330%0.29866%0.655SS.*Hα-helixtrans-70.8-35.2178.500000111.9V7 P8 C9 L15V7-A11 HydrophobicContact CG1-CB 3.63Å; P8-A11 WeakPolarHBondContact O-CB 3.29Å; P8-A11 PolarHBondContact O-N 3.4Å; C9-A11 PolarHBondContact O-N 3.12Å; A11-L15 WeakPolarHBondContact O-CB 3.47Å; A11-L15 PolarHBondContact O-N 3.1Å
12A70.1Confident59.5Low46 Ų46115.4 Ų115.438%0.3863%0.628SS.*Hα-helixtrans-66.5-39.3173.300000112.1P8 C9 L16P8-A12 PolarHBondContact O-N 2.97Å; C9-A12 PolarHBondContact O-N 3.5Å; A12-L16 WeakPolarHBondContact O-CB 3.37Å; A12-L16 PolarHBondContact O-N 3.27Å
13V69.3Low60.7Low84 Ų84112.6 Ų112.651%0.50962%0.624SS.*Hα-helixtrans-68.4-41.9176170.90000111.5C9 V10 L16 L17C9-V13 VanDerWaalsContact O-CG2 3.31Å; C9-V13 WeakPolarHBondContact O-CG2 3.08Å; C9-V13 PolarHBondContact O-N 2.69Å; V10-V13 PolarHBondContact O-N 3.1Å; V13-L16 PolarHBondContact O-N 3.42Å; V13-L17 HydrophobicContact CG1-CD1 3.82Å; V13-L17 HydrophobicContact CG1-CG 4.34Å; V13-L17 WeakPolarHBondContact O-CB 3.44Å; V13-L17 VanDerWaalsContact O-CG 3.26Å; V13-L17 WeakPolarHBondContact O-CG 3.14Å; V13-L17 PolarHBondContact O-N 3.3Å
14I66.4Low62.1Low96 Ų96104.9 Ų104.949%0.49261%0.605SS.*Hα-helixtrans-63.4-44.8175.7-68.8167.6000110.5V10 L16 L17 T18V10-I14 HydrophobicContact CG1-CD1 3.92Å; V10-I14 VanDerWaalsContact O-CG1 3.24Å; V10-I14 WeakPolarHBondContact O-CG1 3.3Å; V10-I14 PolarHBondContact O-N 2.92Å; I14-L16 PolarHBondContact O-N 2.93Å; I14-L17 PolarHBondContact O-N 3.41Å; I14-T18 WeakPolarHBondContact O-CG2 3.35Å; I14-T18 PolarHBondContact O-N 3.42Å; I14-T18 PolarHBondContact O-OG1 2.96Å
15L63.4Low63.2Low107 Ų107101.5 Ų101.556%0.5660%0.601SS**Hα-helixtrans-59.6-46.4174.7-93.7151.6000111.5A11 L17 T18 V19A11-L15 WeakPolarHBondContact O-CB 3.47Å; A11-L15 PolarHBondContact O-N 3.1Å; L15-L17 PolarHBondContact O-N 2.67Å; L15-T18 WeakPolarHBondContact CA-OG1 3.39Å; L15-T18 PolarHBondContact O-N 2.88Å; L15-T18 PolarHBondContact O-OG1 2.98Å; L15-V19 WeakPolarHBondContact O-CB 3.31Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.32Å; L15-V19 PolarHBondContact O-N 3.09Å
16L63.6Low63.7Low109 Ų109103.3 Ų103.357%0.57160%0.604SS**Hα-helixtrans-60.4-43.7175.7-115.193.2000112.3A12 V13 I14 T18 V19 L20A12-L16 WeakPolarHBondContact O-CB 3.37Å; A12-L16 PolarHBondContact O-N 3.27Å; V13-L16 PolarHBondContact O-N 3.42Å; I14-L16 PolarHBondContact O-N 2.93Å; L16-T18 PolarHBondContact O-N 2.68Å; L16-V19 PolarHBondContact O-N 3.49Å; L16-L20 HydrophobicContact CD2-CD1 4Å; L16-L20 HydrophobicContact CG-CD1 4.39Å; L16-L20 VanDerWaalsContact O-CB 3.29Å; L16-L20 WeakPolarHBondContact O-CB 3.2Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.33Å
17L62.2Low63.9Low98 Ų9897.7 Ų97.751%0.51360%0.597SS.*Hα-helixtrans-65.3-38179.4-74.3169000111.8V13 I14 L15 V19 S21V13-L17 HydrophobicContact CG1-CD1 3.82Å; V13-L17 HydrophobicContact CG1-CG 4.34Å; V13-L17 WeakPolarHBondContact O-CB 3.44Å; V13-L17 VanDerWaalsContact O-CG 3.26Å; V13-L17 WeakPolarHBondContact O-CG 3.14Å; V13-L17 PolarHBondContact O-N 3.3Å; I14-L17 PolarHBondContact O-N 3.41Å; L15-L17 PolarHBondContact O-N 2.67Å; L17-V19 VanDerWaalsContact C-N 3.35Å; L17-S21 WeakPolarHBondContact O-CB 3.45Å; L17-S21 PolarHBondContact O-N 3.24Å; L17-S21 PolarHBondContact O-OG 2.98Å
18T64Low64Low92 Ų92104.8 Ų104.856%0.56461%0.614SS**Hα-helixtrans-70.8-28.717556.70000113.4I14 L15 L16I14-T18 WeakPolarHBondContact O-CG2 3.35Å; I14-T18 PolarHBondContact O-N 3.42Å; I14-T18 PolarHBondContact O-OG1 2.96Å; L15-T18 WeakPolarHBondContact CA-OG1 3.39Å; L15-T18 PolarHBondContact O-N 2.88Å; L15-T18 PolarHBondContact O-OG1 2.98Å; L16-T18 PolarHBondContact O-N 2.68Å
19V63.1Low63.7Low118 Ų118103.9 Ų103.972%0.71561%0.605SS**Hα-helixtrans-81.5-34.1177.1171.60000111.8L15 L16 L17L15-V19 WeakPolarHBondContact O-CB 3.31Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.32Å; L15-V19 PolarHBondContact O-N 3.09Å; L16-V19 PolarHBondContact O-N 3.49Å; L17-V19 VanDerWaalsContact C-N 3.35Å
20L61.3Low63.6Low124 Ų124104.4 Ų104.465%0.64961%0.609SS**Hα-helixtrans-85.2-15.2179.1-74.6163.8000113.7L16 P22L16-L20 HydrophobicContact CD2-CD1 4Å; L16-L20 HydrophobicContact CG-CD1 4.39Å; L16-L20 VanDerWaalsContact O-CB 3.29Å; L16-L20 WeakPolarHBondContact O-CB 3.2Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.33Å; L20-P22 WeakPolarHBondContact O-CD 3.38Å
21S61Low64.3Low68 Ų68108.9 Ų108.948%0.47662%0.615SS.*SBendtrans-92.9102.6174.3-55.40000108.8L17L17-S21 WeakPolarHBondContact O-CB 3.45Å; L17-S21 PolarHBondContact O-N 3.24Å; L17-S21 PolarHBondContact O-OG 2.98Å
22P60.2Low65Low97 Ų97113.5 Ų113.563%0.6364%0.642SS**  trans-58132.517322.7-31000109.1L20 V24L20-P22 WeakPolarHBondContact O-CD 3.38Å; P22-V24 PolarHBondContact O-N 3.03Å
23P61Low65.8Low134 Ų134120.1 Ų120.187%0.8766%0.657SS**SBendtrans-74.28.7-176.130.7-33.5000112.8
24V63.3Low66.9Low90 Ų90123.3 Ų123.355%0.54566%0.664SS.*SBendtrans-124.3113.4-172.8-177.90000107.4P22 L26P22-V24 PolarHBondContact O-N 3.03Å; V24-L26 HydrophobicContact CG1-CG 4.29Å; V24-L26 PolarHBondContact O-N 3.02Å
25A63.5Low68.3Low95 Ų95123.4 Ų123.479%0.78567%0.666SS**  trans-60.892.3156.400000106.9V27A25-V27 VanDerWaalsContact C-N 3.31Å; A25-V27 PolarHBondContact O-N 3.01Å
26L60.7Low69.8Low136 Ų136124 Ų12471%0.71267%0.665SS**  trans-6695.5171.2-89.4163.4000107.2V24 R28V24-L26 HydrophobicContact CG1-CG 4.29Å; V24-L26 PolarHBondContact O-N 3.02Å; L26-R28 VanDerWaalsContact C-N 3.28Å; L26-R28 PolarHBondContact O-N 3.43Å
27V61.8Low71.5Confident129 Ų129123.2 Ų123.278%0.78266%0.655SS**  trans-64.197.5164.4178.60000106.1A25 D29A25-V27 VanDerWaalsContact C-N 3.31Å; A25-V27 PolarHBondContact O-N 3.01Å; V27-D29 PolarHBondContact O-N 2.87Å
28R59.9Low73.2Confident239 Ų239121.6 Ų121.690%0.90265%0.653SS**  trans-8645.5-165.5-143-179-166.9-1724112.4L26L26-R28 VanDerWaalsContact C-N 3.28Å; L26-R28 PolarHBondContact O-N 3.43Å
29D62.6Low74.8Confident69 Ų69119.2 Ų119.237%0.36964%0.638SS.*  trans-140.485.1170.7-155.6-5.7000110.2V27 R33V27-D29 PolarHBondContact O-N 2.87Å; D29-R33 IonicContact OD1-NH2 3.6Å; D29-R33 IonicContact OD2-CZ 3.12Å; D29-R33 IonicContact OD2-NE 2.91Å; D29-R33 IonicContact OD2-NH1 2.6Å; D29-R33 PolarHBondContact OD2-NH1 2.94Å; D29-R33 IonicContact OD2-NH2 3.11Å; D29-R33 PolarHBondContact OD2-NH2 3.33Å
30S64.7Low76.5Confident121 Ų121116.4 Ų116.485%0.84662%0.624SS**  trans-93.47.4-177.462.50000113.2
31R80.9Confident78.2Confident198 Ų198112.8 Ų112.875%0.74760%0.603SS**SBendtrans-76.7127177.4-62.9-173.3-144.9-176.55.7108.2R33R31-R33 PolarHBondContact O-N 2.96Å; R31-R33 VanDerWaalsContact O-N 3.09Å
32P82.1Confident80Confident133 Ų133111.1 Ų111.186%0.86459%0.592SS**  trans-59.9120.3171.825.2-31.4000108.1
33R87.3Confident81.8Confident185 Ų185109.6 Ų109.670%0.69858%0.576SS**  trans-109131.7170-70.1-173.4176.4138.910.4107.4D29 R31D29-R33 IonicContact OD1-NH2 3.6Å; D29-R33 IonicContact OD2-CZ 3.12Å; D29-R33 IonicContact OD2-NE 2.91Å; D29-R33 IonicContact OD2-NH1 2.6Å; D29-R33 PolarHBondContact OD2-NH1 2.94Å; D29-R33 IonicContact OD2-NH2 3.11Å; D29-R33 PolarHBondContact OD2-NH2 3.33Å; R31-R33 PolarHBondContact O-N 2.96Å; R31-R33 VanDerWaalsContact O-N 3.09Å
34F91.6Very high83.5Confident151 Ų151106.6 Ų106.666%0.66255%0.549SS*.  trans-114.8146.7164.967.2-85.5000107.7Y59 N60F34-Y59 HydrophobicContact CB-CE2 4.37Å; F34-N60 WeakPolarHBondContact CA-OD1 3.4Å
35L95.4Very high85.1Confident99 Ų99107.4 Ų107.452%0.51854%0.543SS..  trans-129123172.6174.365.8000107Y37 N60L35-Y37 HydrophobicContact CD2-CD1 3.99Å; L35-Y37 HydrophobicContact CD2-CE1 4.16Å; L35-Y37 HydrophobicContact CG-CD1 3.93Å; L35-Y37 HydrophobicContact CG-CE1 4.49Å; L35-N60 PolarHBondContact N-OD1 3.47Å; L35-N60 VanDerWaalsContact O-CA 3.29Å; L35-N60 WeakPolarHBondContact O-CA 3.41Å; L35-N60 PolarHBondContact O-N 3.11Å
36E96.6Very high86.6Confident118 Ų118109.3 Ų109.355%0.55154%0.54SS*.EExtended strand (participates in β ladder)trans-116.9132.8169.9-174.2175-160.700107.6F58 Y64E36-F58 WeakPolarHBondContact CA-O 3.49Å; E36-Y64 PolarHBondContact OE1-OH 2.81Å
37Y97.8Very high88.1Confident93 Ų93104.1 Ų104.137%0.36552%0.52SS..EExtended strand (participates in β ladder)trans-153.5159.9176.969.1-81.3000110.5L35 T39 F58 N60L35-Y37 HydrophobicContact CD2-CD1 3.99Å; L35-Y37 HydrophobicContact CD2-CE1 4.16Å; L35-Y37 HydrophobicContact CG-CD1 3.93Å; L35-Y37 HydrophobicContact CG-CE1 4.49Å; Y37-T39 HydrophobicContact CD2-CG2 4.19Å; Y37-T39 HydrophobicContact CE2-CG2 4.08Å; Y37-F58 HydrophobicContact CD1-CB 3.84Å; Y37-F58 HydrophobicContact CD2-CB 4.31Å; Y37-F58 AromaticContact CD2-CD2 3.84Å; Y37-F58 HydrophobicContact CD2-CD2 3.84Å; Y37-F58 HydrophobicContact CD2-CG 4.31Å; Y37-F58 HydrophobicContact CE1-CB 3.48Å; Y37-F58 VanDerWaalsContact CE1-CB 3.48Å; Y37-F58 HydrophobicContact CE1-CD2 4.49Å; Y37-F58 HydrophobicContact CE1-CG 4.01Å; Y37-F58 HydrophobicContact CE2-CB 3.96Å; Y37-F58 HydrophobicContact CE2-CD1 4.38Å; Y37-F58 AromaticContact CE2-CD2 3.39Å; Y37-F58 HydrophobicContact CE2-CD2 3.39Å; Y37-F58 AromaticContact CE2-CE2 3.9Å; Y37-F58 HydrophobicContact CE2-CE2 3.9Å; Y37-F58 AromaticContact CE2-CG 3.67Å; Y37-F58 HydrophobicContact CE2-CG 3.67Å; Y37-F58 HydrophobicContact CG-CB 4.26Å; Y37-F58 AromaticContact CZ-CD1 3.99Å; Y37-F58 AromaticContact CZ-CD2 3.77Å; Y37-F58 AromaticContact CZ-CG 3.49Å; Y37-F58 VanDerWaalsContact CZ-CG 3.49Å; Y37-F58 PolarHBondContact N-O 3.39Å; Y37-F58 VanDerWaalsContact N-O 3.15Å; Y37-F58 PolarHBondContact O-N 3.45Å; Y37-N60 WeakPolarHBondContact CE1-O 3.11Å
38S97.6Very high89.7Confident65 Ų6599.9 Ų99.946%0.45549%0.494SS..EExtended strand (participates in β ladder)trans-122.2160.5171.561.30000111R56S38-R56 CarbonylContact C-O 3.52Å; S38-R56 WeakPolarHBondContact CA-O 3.33Å; S38-R56 VanDerWaalsContact CB-O 3.31Å; S38-R56 WeakPolarHBondContact CB-O 3.34Å
39T98.4Very high91.4Very high41 Ų4195.9 Ų95.925%0.25249%0.485SS..EExtended strand (participates in β ladder)trans-130.9128.6170.7620000109.3Y37 E41 D55 R56 F58Y37-T39 HydrophobicContact CD2-CG2 4.19Å; Y37-T39 HydrophobicContact CE2-CG2 4.08Å; T39-E41 PolarHBondContact OG1-OE1 2.94Å; T39-D55 WeakPolarHBondContact O-CA 3.49Å; T39-R56 PolarHBondContact N-O 3.46Å; T39-R56 PolarHBondContact O-N 3.24Å; T39-F58 HydrophobicContact CG2-CE2 3.96Å
40S98.1Very high93.1Very high60 Ų6099.3 Ų99.342%0.4249%0.493SS..EExtended strand (participates in β ladder)trans-107.3105.6171.6-46.90000108L54 D55S40-L54 CarbonylContact C-O 3.6Å; S40-L54 WeakPolarHBondContact CA-O 3.45Å; S40-D55 PolarHBondContact OG-OD1 3.28Å
41E98.4Very high94.7Very high47 Ų4794 Ų9422%0.2246%0.456CS..EExtended strand (participates in β ladder)trans-108.5130.9-170.7-48.8175.6-166.500110.4T39 H43 F53 L54 R56T39-E41 PolarHBondContact OG1-OE1 2.94Å; E41-H43 IonicContact OE2-CD2 2.81Å; E41-H43 IonicContact OE2-CE1 2.91Å; E41-H43 IonicContact OE2-NE2 2.91Å; E41-H43 PolarHBondContact OE2-NE2 3.33Å; E41-F53 WeakPolarHBondContact O-CA 3.29Å; E41-F53 WeakPolarHBondContact O-CD2 3.48Å; E41-L54 HydrophobicContact CB-CB 4.21Å; E41-L54 PolarHBondContact N-O 3.47Å; E41-L54 PolarHBondContact O-N 3.09Å; E41-R56 WeakPolarHBondContact OE1-CD 3.49Å; E41-R56 IonicContact OE1-CZ 3.95Å; E41-R56 IonicContact OE1-NE 2.83Å; E41-R56 IonicContact OE1-NH1 3.59Å; E41-R56 PolarHBondContact OE1-NH1 3.07Å
42C98.4Very high95.5Very high34 Ų3487.7 Ų87.723%0.2343%0.432CS..EExtended strand (participates in β ladder)trans-111.8113.5171.8-61.10000109.8F44 C106C42-F44 HydrophobicContact CB-CD2 4.26Å; C42-F44 HydrophobicContact CB-CE1 4.34Å; C42-F44 HydrophobicContact CB-CE2 3.4Å; C42-F44 HydrophobicContact CB-CZ 3.44Å; C42-F44 VanDerWaalsContact CB-CZ 3.44Å; C42-F44 WeakPolarHBondContact O-CD2 3.47Å; C42-F44 WeakPolarHBondContact O-CE2 3.29Å; C42-C106 HydrophobicContact CB-CB 3.63Å; C42-C106 WeakPolarHBondContact CB-SG 3.37Å; C42-C106 WeakPolarHBondContact SG-CA 3.14Å; C42-C106 WeakPolarHBondContact SG-CB 3.37Å; C42-C106 CovalentContact SG-SG 2.03Å; C42-C106 PolarHBondContact SG-SG 3.45Å
43H98Very high96.3Very high64 Ų6481.7 Ų81.730%0.29639%0.393SS..EExtended strand (participates in β ladder)trans-98.6112.7177.5-65.5-99.4000109.4E41 Y45 V51 R52E41-H43 IonicContact OE2-CD2 2.81Å; E41-H43 IonicContact OE2-CE1 2.91Å; E41-H43 IonicContact OE2-NE2 2.91Å; E41-H43 PolarHBondContact OE2-NE2 3.33Å; H43-Y45 HydrophobicContact CB-CE2 4Å; H43-V51 WeakPolarHBondContact O-CA 3.11Å; H43-R52 HydrophobicContact CB-CB 4.29Å; H43-R52 PolarHBondContact N-O 2.91Å; H43-R52 PolarHBondContact O-N 3.47Å
44F97.4Very high96.8Very high71 Ų7173.5 Ų73.531%0.31136%0.362SS..EExtended strand (participates in β ladder)trans-102.6128.7-174.8-62.1-79.2000111.1C42 G47 T48 V51 C106 Y110C42-F44 HydrophobicContact CB-CD2 4.26Å; C42-F44 HydrophobicContact CB-CE1 4.34Å; C42-F44 HydrophobicContact CB-CE2 3.4Å; C42-F44 HydrophobicContact CB-CZ 3.44Å; C42-F44 VanDerWaalsContact CB-CZ 3.44Å; C42-F44 WeakPolarHBondContact O-CD2 3.47Å; C42-F44 WeakPolarHBondContact O-CE2 3.29Å; F44-G47 WeakPolarHBondContact CB-O 3.46Å; F44-T48 HydrophobicContact CD1-CG2 4.4Å; F44-V51 HydrophobicContact CD1-CG1 4.14Å; F44-V51 HydrophobicContact CD1-CG2 3.87Å; F44-V51 HydrophobicContact CE1-CG1 3.95Å; F44-V51 HydrophobicContact CE1-CG2 4.16Å; F44-C106 HydrophobicContact CE1-CB 4.09Å; F44-C106 HydrophobicContact CZ-CB 4Å; F44-C106 WeakPolarHBondContact CZ-O 3.09Å; F44-Y110 HydrophobicContact CB-CD2 4.34Å; F44-Y110 HydrophobicContact CB-CE2 4.17Å; F44-Y110 AromaticContact CD1-CD2 3.45Å; F44-Y110 HydrophobicContact CD1-CD2 3.45Å; F44-Y110 VanDerWaalsContact CD1-CD2 3.45Å; F44-Y110 HydrophobicContact CD1-CE2 4.08Å; F44-Y110 HydrophobicContact CD1-CG 4.08Å; F44-Y110 AromaticContact CD2-CD2 3.88Å; F44-Y110 HydrophobicContact CD2-CD2 3.88Å; F44-Y110 HydrophobicContact CD2-CE2 4.36Å; F44-Y110 AromaticContact CE1-CD2 3.59Å; F44-Y110 HydrophobicContact CE1-CD2 3.59Å; F44-Y110 AromaticContact CE1-CG 3.91Å; F44-Y110 HydrophobicContact CE1-CG 3.91Å; F44-Y110 AromaticContact CE2-CD2 3.98Å; F44-Y110 HydrophobicContact CE2-CD2 3.98Å; F44-Y110 AromaticContact CG-CD2 3.62Å; F44-Y110 HydrophobicContact CG-CD2 3.62Å; F44-Y110 AromaticContact CG-CE2 3.94Å; F44-Y110 HydrophobicContact CG-CE2 3.94Å; F44-Y110 AromaticContact CZ-CD2 3.84Å; F44-Y110 HydrophobicContact CZ-CD2 3.84Å; F44-Y110 HydrophobicContact CZ-CG 4.3Å
45Y96.1Very high97.2Very high107 Ų10767.1 Ų67.142%0.4234%0.335SS..EExtended strand (participates in β ladder)trans-122.8126.1177-55.1-85000110.2H43 R50H43-Y45 HydrophobicContact CB-CE2 4Å; Y45-R50 HydrophobicContact CD2-CB 4.36Å; Y45-R50 HydrophobicContact CD2-CG 4.12Å; Y45-R50 PolarHBondContact N-O 2.96Å; Y45-R50 PolarHBondContact O-N 3.41Å
46N94.4Very high97.3Very high136 Ų13665 Ų6573%0.72732%0.32SS*.THydrogen-bonded Turntrans49.757.9-175.6-63.9-21.3000111.8T48 Q49N46-T48 PolarHBondContact O-N 2.98Å; N46-Q49 HydrophobicContact CB-CB 4.4Å; N46-Q49 HydrophobicContact CB-CG 4.45Å; N46-Q49 WeakPolarHBondContact O-CG 3.21Å; N46-Q49 PolarHBondContact O-N 3.4Å
47G92.5Very high97.4Very high27 Ų2761.9 Ų61.928%0.27830%0.304SS..THydrogen-bonded Turntrans71.1-125.4-169.900000110.6F44 Y110F44-G47 WeakPolarHBondContact CB-O 3.46Å; G47-Y110 WeakPolarHBondContact CA-OH 3.13Å
48T96.4Very high97.5Very high40 Ų4058.1 Ų58.125%0.24529%0.289CS..THydrogen-bonded Turntrans-102.313.3178.558.30000113F44 N46 R50 R107 Y110F44-T48 HydrophobicContact CD1-CG2 4.4Å; N46-T48 PolarHBondContact O-N 2.98Å; T48-R50 PolarHBondContact O-N 2.92Å; T48-R107 HydrophobicContact CG2-CG 4.44Å; T48-R107 PolarHBondContact O-NH1 2.97Å; T48-R107 PolarHBondContact O-NH2 3.49Å; T48-Y110 HydrophobicContact CG2-CD1 3.36Å; T48-Y110 HydrophobicContact CG2-CD2 4.27Å; T48-Y110 HydrophobicContact CG2-CE1 3.9Å; T48-Y110 HydrophobicContact CG2-CG 3.58Å
49Q95.4Very high97.4Very high154 Ų15459.4 Ų59.472%0.7229%0.285SS*.THydrogen-bonded Turntrans-58.9-48.6-178.5-72.7179.97.500111.9N46N46-Q49 HydrophobicContact CB-CB 4.4Å; N46-Q49 HydrophobicContact CB-CG 4.45Å; N46-Q49 WeakPolarHBondContact O-CG 3.21Å; N46-Q49 PolarHBondContact O-N 3.4Å
50R97.2Very high97.3Very high141 Ų14160.5 Ų60.553%0.53229%0.289SS..EExtended strand (participates in β ladder)trans-122.8128.8168.7178.9-179.5179.3-179.6-0.7108.6Y45 T48 D70Y45-R50 HydrophobicContact CD2-CB 4.36Å; Y45-R50 HydrophobicContact CD2-CG 4.12Å; Y45-R50 PolarHBondContact N-O 2.96Å; Y45-R50 PolarHBondContact O-N 3.41Å; T48-R50 PolarHBondContact O-N 2.92Å; R50-D70 IonicContact NH2-OD2 2.86Å; R50-D70 PolarHBondContact NH2-OD2 3.29Å
51V98.4Very high97.1Very high11 Ų1168.7 Ų68.77%0.06731%0.311CS..EExtended strand (participates in β ladder)trans-127.8129.3178.5-177.10000107.4H43 F44 V102 C106 R107H43-V51 WeakPolarHBondContact O-CA 3.11Å; F44-V51 HydrophobicContact CD1-CG1 4.14Å; F44-V51 HydrophobicContact CD1-CG2 3.87Å; F44-V51 HydrophobicContact CE1-CG1 3.95Å; F44-V51 HydrophobicContact CE1-CG2 4.16Å; V51-V102 HydrophobicContact CB-CG1 3.92Å; V51-V102 HydrophobicContact CG1-CG1 4.06Å; V51-C106 HydrophobicContact CG1-CB 3.54Å; V51-R107 HydrophobicContact CG2-CG 4.11Å
52R98.4Very high97.1Very high65 Ų6571.8 Ų71.825%0.24533%0.325CS..EExtended strand (participates in β ladder)trans-116126.1172.5178.7-177.9178-160.74.5109.1H43 D68 S69H43-R52 HydrophobicContact CB-CB 4.29Å; H43-R52 PolarHBondContact N-O 2.91Å; H43-R52 PolarHBondContact O-N 3.47Å; R52-D68 IonicContact CZ-OD1 2.91Å; R52-D68 IonicContact CZ-OD2 2.92Å; R52-D68 IonicContact NE-OD1 2.96Å; R52-D68 PolarHBondContact NE-OD1 3.04Å; R52-D68 IonicContact NE-OD2 3.29Å; R52-D68 PolarHBondContact NE-OD2 3.45Å; R52-D68 IonicContact NH2-OD1 2.63Å; R52-D68 IonicContact NH2-OD2 2.84Å; R52-D68 PolarHBondContact NH2-OD2 2.93Å; R52-S69 WeakPolarHBondContact CA-OG 3.32Å
53F98.8Very high97.1Very high7 Ų771.2 Ų71.23%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-101.9129.9175.4179-116.9000109.6E41 D55 F67 S69 S101 V102 Y105 C106E41-F53 WeakPolarHBondContact O-CA 3.29Å; E41-F53 WeakPolarHBondContact O-CD2 3.48Å; F53-D55 HydrophobicContact CE1-CB 3.87Å; F53-D55 HydrophobicContact CZ-CB 3.92Å; F53-F67 AromaticContact CD1-CD1 3.97Å; F53-F67 HydrophobicContact CD1-CD1 3.97Å; F53-F67 HydrophobicContact CD1-CE1 4.1Å; F53-F67 HydrophobicContact CE1-CD1 4.32Å; F53-S69 PolarHBondContact N-OG 2.96Å; F53-S69 PolarHBondContact O-N 2.9Å; F53-S69 PolarHBondContact O-OG 3.01Å; F53-S101 VanDerWaalsContact CE1-CB 3.46Å; F53-V102 HydrophobicContact CB-CG2 3.87Å; F53-Y105 HydrophobicContact CE2-CD1 4.1Å; F53-Y105 HydrophobicContact CE2-CE1 4.47Å; F53-C106 WeakPolarHBondContact CD2-SG 3.45Å
54L98.6Very high97.1Very high13 Ų1368.8 Ų68.87%0.06831%0.308CS..EExtended strand (participates in β ladder)trans-121.2125.9171.7-66174.8000108.6S40 E41 R56 F67 D68S40-L54 CarbonylContact C-O 3.6Å; S40-L54 WeakPolarHBondContact CA-O 3.45Å; E41-L54 HydrophobicContact CB-CB 4.21Å; E41-L54 PolarHBondContact N-O 3.47Å; E41-L54 PolarHBondContact O-N 3.09Å; L54-R56 HydrophobicContact CB-CG 4.15Å; L54-F67 WeakPolarHBondContact CA-O 3.48Å; L54-D68 HydrophobicContact CD2-CB 3.64Å
55D98.6Very high97.2Very high16 Ų1665.4 Ų65.49%0.08629%0.293CS..EExtended strand (participates in β ladder)trans-115.4114.2169.6-163.133.6000108.3T39 S40 F53 Y57 R66 F67T39-D55 WeakPolarHBondContact O-CA 3.49Å; S40-D55 PolarHBondContact OG-OD1 3.28Å; F53-D55 HydrophobicContact CE1-CB 3.87Å; F53-D55 HydrophobicContact CZ-CB 3.92Å; D55-Y57 WeakPolarHBondContact OD2-CE2 3.37Å; D55-Y57 PolarHBondContact OD2-OH 2.96Å; D55-Y57 VanDerWaalsContact OD2-OH 3.06Å; D55-R66 CarbonylContact O-C 3.44Å; D55-R66 WeakPolarHBondContact O-CA 3.37Å; D55-F67 HydrophobicContact CB-CB 4.2Å; D55-F67 PolarHBondContact N-O 2.83Å; D55-F67 PolarHBondContact O-N 3.27Å
56R98.6Very high97.3Very high56 Ų5663.8 Ų63.821%0.21129%0.286CS..EExtended strand (participates in β ladder)trans-125137.3-165.5-54.1169.670.5-162.9-0.2109.6S38 T39 E41 L54 F58 E63 R66S38-R56 CarbonylContact C-O 3.52Å; S38-R56 WeakPolarHBondContact CA-O 3.33Å; S38-R56 VanDerWaalsContact CB-O 3.31Å; S38-R56 WeakPolarHBondContact CB-O 3.34Å; T39-R56 PolarHBondContact N-O 3.46Å; T39-R56 PolarHBondContact O-N 3.24Å; E41-R56 WeakPolarHBondContact OE1-CD 3.49Å; E41-R56 IonicContact OE1-CZ 3.95Å; E41-R56 IonicContact OE1-NE 2.83Å; E41-R56 IonicContact OE1-NH1 3.59Å; E41-R56 PolarHBondContact OE1-NH1 3.07Å; L54-R56 HydrophobicContact CB-CG 4.15Å; R56-F58 HydrophobicContact CB-CD2 4.5Å; R56-F58 HydrophobicContact CB-CE2 3.59Å; R56-F58 HydrophobicContact CB-CZ 3.92Å; R56-E63 HydrophobicContact CB-CG 4.48Å; R56-E63 WeakPolarHBondContact CG-OE1 3.5Å; R56-E63 IonicContact CZ-OE1 3.94Å; R56-E63 IonicContact CZ-OE2 3.24Å; R56-E63 VanDerWaalsContact NE-CD 3.29Å; R56-E63 IonicContact NE-OE1 2.69Å; R56-E63 PolarHBondContact NE-OE1 3.37Å; R56-E63 IonicContact NE-OE2 3.89Å; R56-E63 PolarHBondContact NE-OE2 3.37Å; R56-E63 IonicContact NH2-OE1 3.97Å; R56-E63 IonicContact NH2-OE2 3.99Å; R56-E63 PolarHBondContact NH2-OE2 3.25Å; R56-R66 HydrophobicContact CG-CB 4.15Å
57Y98.5Very high97.5Very high51 Ų5157.3 Ų57.320%0.225%0.251CS..EExtended strand (participates in β ladder)trans-119.8134.1-176.7-62.9-104.4000110.3D55 E63 Y64 V65 Y74 W88D55-Y57 WeakPolarHBondContact OD2-CE2 3.37Å; D55-Y57 PolarHBondContact OD2-OH 2.96Å; D55-Y57 VanDerWaalsContact OD2-OH 3.06Å; Y57-E63 WeakPolarHBondContact O-CA 3.32Å; Y57-Y64 VanDerWaalsContact C-CE1 3.45Å; Y57-Y64 VanDerWaalsContact O-CD1 3.25Å; Y57-Y64 WeakPolarHBondContact O-CD1 3.41Å; Y57-Y64 PolarHBondContact O-N 3.42Å; Y57-V65 HydrophobicContact CD2-CG1 3.89Å; Y57-V65 HydrophobicContact CG-CG1 3.96Å; Y57-V65 PolarHBondContact N-O 2.83Å; Y57-Y74 HydrophobicContact CE2-CE1 4.09Å; Y57-W88 AromaticContact CD1-CH2 3.94Å; Y57-W88 HydrophobicContact CD1-CH2 3.94Å; Y57-W88 HydrophobicContact CD2-CH2 4Å; Y57-W88 AromaticContact CD2-CZ3 3.91Å; Y57-W88 HydrophobicContact CD2-CZ3 3.91Å; Y57-W88 AromaticContact CE1-CH2 3.75Å; Y57-W88 HydrophobicContact CE1-CH2 3.75Å; Y57-W88 HydrophobicContact CE1-CZ2 4.44Å; Y57-W88 HydrophobicContact CE1-CZ3 4.46Å; Y57-W88 AromaticContact CE2-CH2 3.84Å; Y57-W88 HydrophobicContact CE2-CH2 3.84Å; Y57-W88 AromaticContact CE2-CZ3 3.71Å; Y57-W88 HydrophobicContact CE2-CZ3 3.71Å; Y57-W88 HydrophobicContact CG-CH2 4.06Å; Y57-W88 HydrophobicContact CG-CZ3 4.38Å; Y57-W88 AromaticContact CZ-CH2 3.68Å; Y57-W88 AromaticContact CZ-CZ3 3.98Å
58F98.4Very high97.8Very high15 Ų1556.8 Ų56.87%0.06624%0.242CC..EExtended strand (participates in β ladder)trans-126.9133.7-171.4-59.7-96.8000111.5E36 Y37 T39 R56 E62 E63E36-F58 WeakPolarHBondContact CA-O 3.49Å; Y37-F58 HydrophobicContact CD1-CB 3.84Å; Y37-F58 HydrophobicContact CD2-CB 4.31Å; Y37-F58 AromaticContact CD2-CD2 3.84Å; Y37-F58 HydrophobicContact CD2-CD2 3.84Å; Y37-F58 HydrophobicContact CD2-CG 4.31Å; Y37-F58 HydrophobicContact CE1-CB 3.48Å; Y37-F58 VanDerWaalsContact CE1-CB 3.48Å; Y37-F58 HydrophobicContact CE1-CD2 4.49Å; Y37-F58 HydrophobicContact CE1-CG 4.01Å; Y37-F58 HydrophobicContact CE2-CB 3.96Å; Y37-F58 HydrophobicContact CE2-CD1 4.38Å; Y37-F58 AromaticContact CE2-CD2 3.39Å; Y37-F58 HydrophobicContact CE2-CD2 3.39Å; Y37-F58 AromaticContact CE2-CE2 3.9Å; Y37-F58 HydrophobicContact CE2-CE2 3.9Å; Y37-F58 AromaticContact CE2-CG 3.67Å; Y37-F58 HydrophobicContact CE2-CG 3.67Å; Y37-F58 HydrophobicContact CG-CB 4.26Å; Y37-F58 AromaticContact CZ-CD1 3.99Å; Y37-F58 AromaticContact CZ-CD2 3.77Å; Y37-F58 AromaticContact CZ-CG 3.49Å; Y37-F58 VanDerWaalsContact CZ-CG 3.49Å; Y37-F58 PolarHBondContact N-O 3.39Å; Y37-F58 VanDerWaalsContact N-O 3.15Å; Y37-F58 PolarHBondContact O-N 3.45Å; T39-F58 HydrophobicContact CG2-CE2 3.96Å; R56-F58 HydrophobicContact CB-CD2 4.5Å; R56-F58 HydrophobicContact CB-CE2 3.59Å; R56-F58 HydrophobicContact CB-CZ 3.92Å; F58-E62 WeakPolarHBondContact CA-O 3.36Å; F58-E63 HydrophobicContact CD1-CB 3.7Å; F58-E63 HydrophobicContact CD1-CG 4.32Å; F58-E63 HydrophobicContact CE1-CB 3.56Å; F58-E63 HydrophobicContact CE1-CG 4Å; F58-E63 HydrophobicContact CZ-CB 4.3Å; F58-E63 HydrophobicContact CZ-CG 4.25Å
59Y97.2Very high97.9Very high92 Ų9256.2 Ų56.236%0.36124%0.24SC..EExtended strand (participates in β ladder)trans-107.7116.1164.1-168.7-97.6000108.4F34 R61 E62 L80F34-Y59 HydrophobicContact CB-CE2 4.37Å; Y59-R61 PolarHBondContact O-N 2.86Å; Y59-E62 PolarHBondContact N-O 2.88Å; Y59-E62 PolarHBondContact O-N 3.49Å; Y59-L80 HydrophobicContact CG-CD2 4.33Å
60N94.7Very high98Very high63 Ų6352.9 Ų52.934%0.33723%0.227SC..THydrogen-bonded Turntrans56.7-82.5-168.2-62.5-49.2000114.1F34 L35 Y37F34-N60 WeakPolarHBondContact CA-OD1 3.4Å; L35-N60 PolarHBondContact N-OD1 3.47Å; L35-N60 VanDerWaalsContact O-CA 3.29Å; L35-N60 WeakPolarHBondContact O-CA 3.41Å; L35-N60 PolarHBondContact O-N 3.11Å; Y37-N60 WeakPolarHBondContact CE1-O 3.11Å
61R94.9Very high98.1Very high233 Ų23350 Ų5088%0.87923%0.225SC*.THydrogen-bonded Turntrans-137.55.1177-64.8-176.7177.7179.8-1.4111.5Y59Y59-R61 PolarHBondContact O-N 2.86Å
62E97.7Very high98.1Very high112 Ų11250 Ų5052%0.52323%0.227SC..EExtended strand (participates in β ladder)trans-103.5115.6-177.3-173.9171.2-168.900108.1F58 Y59 Y64 T78F58-E62 WeakPolarHBondContact CA-O 3.36Å; Y59-E62 PolarHBondContact N-O 2.88Å; Y59-E62 PolarHBondContact O-N 3.49Å; E62-Y64 PolarHBondContact O-N 2.82Å; E62-T78 HydrophobicContact CG-CG2 3.93Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.31Å
63E98.5Very high98.1Very high21 Ų2149.7 Ų49.710%0.09823%0.228CC..EExtended strand (participates in β ladder)trans-71.5123.8171.2-173.2-178.6-176.800108.8R56 Y57 F58 R66 V77 T78R56-E63 HydrophobicContact CB-CG 4.48Å; R56-E63 WeakPolarHBondContact CG-OE1 3.5Å; R56-E63 IonicContact CZ-OE1 3.94Å; R56-E63 IonicContact CZ-OE2 3.24Å; R56-E63 VanDerWaalsContact NE-CD 3.29Å; R56-E63 IonicContact NE-OE1 2.69Å; R56-E63 PolarHBondContact NE-OE1 3.37Å; R56-E63 IonicContact NE-OE2 3.89Å; R56-E63 PolarHBondContact NE-OE2 3.37Å; R56-E63 IonicContact NH2-OE1 3.97Å; R56-E63 IonicContact NH2-OE2 3.99Å; R56-E63 PolarHBondContact NH2-OE2 3.25Å; Y57-E63 WeakPolarHBondContact O-CA 3.32Å; F58-E63 HydrophobicContact CD1-CB 3.7Å; F58-E63 HydrophobicContact CD1-CG 4.32Å; F58-E63 HydrophobicContact CE1-CB 3.56Å; F58-E63 HydrophobicContact CE1-CG 4Å; F58-E63 HydrophobicContact CZ-CB 4.3Å; F58-E63 HydrophobicContact CZ-CG 4.25Å; E63-R66 WeakPolarHBondContact OE1-CB 3.48Å; E63-R66 IonicContact OE1-CZ 2.92Å; E63-R66 VanDerWaalsContact OE1-CZ 3.22Å; E63-R66 IonicContact OE1-NE 2.65Å; E63-R66 PolarHBondContact OE1-NE 2.81Å; E63-R66 IonicContact OE1-NH2 3.44Å; E63-R66 PolarHBondContact OE1-NH2 2.83Å; E63-R66 VanDerWaalsContact OE1-NH2 3.09Å; E63-R66 IonicContact OE2-CZ 3.72Å; E63-R66 IonicContact OE2-NE 3.45Å; E63-R66 IonicContact OE2-NH2 3.68Å; E63-R66 PolarHBondContact OE2-NH2 2.83Å; E63-V77 HydrophobicContact CB-CG1 4.46Å; E63-V77 HydrophobicContact CG-CB 4.42Å; E63-V77 HydrophobicContact CG-CG2 4.05Å; E63-V77 WeakPolarHBondContact O-CB 3.24Å; E63-V77 WeakPolarHBondContact O-CG1 3.37Å; E63-T78 WeakPolarHBondContact O-CG2 3.41Å
64Y98.4Very high98.1Very high14 Ų1449.9 Ų49.96%0.05523%0.229CC..EExtended strand (participates in β ladder)trans-109.5-29.2-174.665.4-87.4000113.3E36 Y57 E62 V77 T78 L80 G81 D84E36-Y64 PolarHBondContact OE1-OH 2.81Å; Y57-Y64 VanDerWaalsContact C-CE1 3.45Å; Y57-Y64 VanDerWaalsContact O-CD1 3.25Å; Y57-Y64 WeakPolarHBondContact O-CD1 3.41Å; Y57-Y64 PolarHBondContact O-N 3.42Å; E62-Y64 PolarHBondContact O-N 2.82Å; Y64-V77 PolarHBondContact O-N 2.95Å; Y64-T78 WeakPolarHBondContact CA-OG1 3.38Å; Y64-T78 WeakPolarHBondContact CB-OG1 3.31Å; Y64-T78 PolarHBondContact O-N 2.95Å; Y64-L80 HydrophobicContact CD2-CG 4.45Å; Y64-L80 HydrophobicContact CG-CD2 4.2Å; Y64-L80 HydrophobicContact CG-CG 4.4Å; Y64-G81 WeakPolarHBondContact O-CA 3.34Å; Y64-D84 VanDerWaalsContact CE2-OD2 3.29Å; Y64-D84 WeakPolarHBondContact CE2-OD2 3.45Å
65V98.8Very high98.1Very high0 Ų056 Ų560%025%0.251CS..EExtended strand (participates in β ladder)trans-147.3148.2175.463.50000110.3Y57 Y74 R75 D84 A85 W88Y57-V65 HydrophobicContact CD2-CG1 3.89Å; Y57-V65 HydrophobicContact CG-CG1 3.96Å; Y57-V65 PolarHBondContact N-O 2.83Å; V65-Y74 HydrophobicContact CG2-CD1 4.32Å; V65-R75 WeakPolarHBondContact CA-O 3.44Å; V65-D84 HydrophobicContact CG1-CB 4.39Å; V65-A85 HydrophobicContact CG2-CB 4Å; V65-W88 HydrophobicContact CB-CZ3 4.37Å; V65-W88 HydrophobicContact CG1-CE3 4.47Å; V65-W88 HydrophobicContact CG1-CH2 3.87Å; V65-W88 HydrophobicContact CG1-CZ3 3.47Å; V65-W88 VanDerWaalsContact CG1-CZ3 3.47Å; V65-W88 HydrophobicContact CG2-CE3 4.22Å; V65-W88 HydrophobicContact CG2-CZ3 3.93Å
66R98.7Very high98.1Very high73 Ų7357.3 Ų57.328%0.27526%0.264SS..EExtended strand (participates in β ladder)trans-142.6148.9173.567.8172.667.3159.54.7112.7D55 R56 E63 Y74 R75 V77D55-R66 CarbonylContact O-C 3.44Å; D55-R66 WeakPolarHBondContact O-CA 3.37Å; R56-R66 HydrophobicContact CG-CB 4.15Å; E63-R66 WeakPolarHBondContact OE1-CB 3.48Å; E63-R66 IonicContact OE1-CZ 2.92Å; E63-R66 VanDerWaalsContact OE1-CZ 3.22Å; E63-R66 IonicContact OE1-NE 2.65Å; E63-R66 PolarHBondContact OE1-NE 2.81Å; E63-R66 IonicContact OE1-NH2 3.44Å; E63-R66 PolarHBondContact OE1-NH2 2.83Å; E63-R66 VanDerWaalsContact OE1-NH2 3.09Å; E63-R66 IonicContact OE2-CZ 3.72Å; E63-R66 IonicContact OE2-NE 3.45Å; E63-R66 IonicContact OE2-NH2 3.68Å; E63-R66 PolarHBondContact OE2-NH2 2.83Å; R66-Y74 CarbonylContact O-C 3.44Å; R66-Y74 VanDerWaalsContact O-CA 3.27Å; R66-Y74 WeakPolarHBondContact O-CA 3.36Å; R66-R75 PolarHBondContact N-O 3.29Å; R66-R75 PolarHBondContact O-N 2.87Å; R66-V77 HydrophobicContact CB-CG2 4.38Å; R66-V77 HydrophobicContact CG-CG2 3.89Å
67F98.8Very high98.1Very high0 Ų057.7 Ų57.70%027%0.273CS..EExtended strand (participates in β ladder)trans-95.4139.3155.1179.6-93.2000109.4F53 L54 D55 G72 Y74 L95 A98 R99F53-F67 AromaticContact CD1-CD1 3.97Å; F53-F67 HydrophobicContact CD1-CD1 3.97Å; F53-F67 HydrophobicContact CD1-CE1 4.1Å; F53-F67 HydrophobicContact CE1-CD1 4.32Å; L54-F67 WeakPolarHBondContact CA-O 3.48Å; D55-F67 HydrophobicContact CB-CB 4.2Å; D55-F67 PolarHBondContact N-O 2.83Å; D55-F67 PolarHBondContact O-N 3.27Å; F67-G72 VanDerWaalsContact CE2-C 3.49Å; F67-Y74 HydrophobicContact CB-CD1 3.69Å; F67-Y74 HydrophobicContact CB-CD2 4.41Å; F67-Y74 HydrophobicContact CB-CE1 3.55Å; F67-Y74 HydrophobicContact CB-CE2 4.25Å; F67-Y74 HydrophobicContact CB-CG 4.14Å; F67-Y74 HydrophobicContact CD2-CD2 4.02Å; F67-Y74 AromaticContact CD2-CE2 3.97Å; F67-Y74 HydrophobicContact CD2-CE2 3.97Å; F67-Y74 HydrophobicContact CD2-CG 4.41Å; F67-Y74 HydrophobicContact CG-CE2 4.45Å; F67-L95 HydrophobicContact CD2-CD1 4.45Å; F67-L95 HydrophobicContact CE2-CD1 4.03Å; F67-A98 HydrophobicContact CD1-CB 4.1Å; F67-A98 HydrophobicContact CD2-CB 3.72Å; F67-A98 HydrophobicContact CE1-CB 4.06Å; F67-A98 VanDerWaalsContact CE1-O 3.27Å; F67-A98 WeakPolarHBondContact CE1-O 3.39Å; F67-A98 HydrophobicContact CE2-CB 3.68Å; F67-A98 HydrophobicContact CG-CB 3.94Å; F67-A98 HydrophobicContact CZ-CB 3.86Å; F67-R99 HydrophobicContact CE2-CG 4.14Å; F67-R99 HydrophobicContact CZ-CB 4.41Å; F67-R99 HydrophobicContact CZ-CG 3.79Å
68D98.7Very high98Very high15 Ų1556.9 Ų56.98%0.0827%0.273CS..EExtended strand (participates in β ladder)trans-131.3121.1173.4-175.2-12.1000109.3R52 L54 D70 V71 G72R52-D68 IonicContact CZ-OD1 2.91Å; R52-D68 IonicContact CZ-OD2 2.92Å; R52-D68 IonicContact NE-OD1 2.96Å; R52-D68 PolarHBondContact NE-OD1 3.04Å; R52-D68 IonicContact NE-OD2 3.29Å; R52-D68 PolarHBondContact NE-OD2 3.45Å; R52-D68 IonicContact NH2-OD1 2.63Å; R52-D68 IonicContact NH2-OD2 2.84Å; R52-D68 PolarHBondContact NH2-OD2 2.93Å; L54-D68 HydrophobicContact CD2-CB 3.64Å; D68-D70 PolarHBondContact O-N 3.07Å; D68-D70 PolarHBondContact OD1-N 3.15Å; D68-V71 HydrophobicContact CB-CB 4.21Å; D68-V71 HydrophobicContact CB-CG2 3.96Å; D68-V71 CarbonylContact O-C 3.56Å; D68-V71 WeakPolarHBondContact O-CA 3.33Å; D68-V71 PolarHBondContact O-N 3.36Å; D68-G72 PolarHBondContact O-N 2.97Å
69S98.6Very high98Very high29 Ų2962.5 Ų62.520%0.20330%0.299CS..THydrogen-bonded Turntrans-62-26.9-17865.60000113.4R52 F53 V71 V102R52-S69 WeakPolarHBondContact CA-OG 3.32Å; F53-S69 PolarHBondContact N-OG 2.96Å; F53-S69 PolarHBondContact O-N 2.9Å; F53-S69 PolarHBondContact O-OG 3.01Å; S69-V71 PolarHBondContact O-N 3.5Å; S69-V102 VanDerWaalsContact CB-CG2 3.45Å
70D98.1Very high98Very high83 Ų8362.7 Ų62.744%0.44431%0.306SS..THydrogen-bonded Turntrans-71.8-18.8175.6-76.76.6000111.4R50 D68R50-D70 IonicContact NH2-OD2 2.86Å; R50-D70 PolarHBondContact NH2-OD2 3.29Å; D68-D70 PolarHBondContact O-N 3.07Å; D68-D70 PolarHBondContact OD1-N 3.15Å
71V98.3Very high98.2Very high81 Ų8159.7 Ų59.749%0.49129%0.29SS..THydrogen-bonded Turntrans-99.8-39175.7-176.70000111.4D68 S69 E73 R75D68-V71 HydrophobicContact CB-CB 4.21Å; D68-V71 HydrophobicContact CB-CG2 3.96Å; D68-V71 CarbonylContact O-C 3.56Å; D68-V71 WeakPolarHBondContact O-CA 3.33Å; D68-V71 PolarHBondContact O-N 3.36Å; S69-V71 PolarHBondContact O-N 3.5Å; V71-E73 HydrophobicContact CG1-CG 4.1Å; V71-R75 HydrophobicContact CG1-CG 4.43Å
72G98.1Very high98.3Very high12 Ų1254.4 Ų54.412%0.12427%0.27CS..THydrogen-bonded Turntrans84.414.6176.500000115.4F67 D68 L95 R99F67-G72 VanDerWaalsContact CE2-C 3.49Å; D68-G72 PolarHBondContact O-N 2.97Å; G72-L95 WeakPolarHBondContact O-CD1 3.46Å; G72-R99 VanDerWaalsContact O-CZ 3.29Å; G72-R99 PolarHBondContact O-NE 2.91Å; G72-R99 PolarHBondContact O-NH2 2.81Å
73E98.5Very high98.4Very high57 Ų5753 Ų5327%0.26627%0.271SS..EExtended strand (participates in β ladder)trans-156.5165.8176.365.9-177.6-167.200112.9V71 R75 N89 L95V71-E73 HydrophobicContact CG1-CG 4.1Å; E73-R75 IonicContact OE1-CZ 3.19Å; E73-R75 IonicContact OE1-NE 2.95Å; E73-R75 PolarHBondContact OE1-NE 2.88Å; E73-R75 IonicContact OE1-NH1 2.72Å; E73-R75 IonicContact OE1-NH2 2.7Å; E73-R75 PolarHBondContact OE1-NH2 3.49Å; E73-N89 WeakPolarHBondContact CB-OD1 3.49Å; E73-L95 HydrophobicContact CB-CD1 4Å
74Y98.7Very high98.4Very high12 Ų1254.4 Ų54.45%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-74.9134.6175.5-70-92.4000110.7Y57 V65 R66 F67 W88 N89 I94 L95 A98Y57-Y74 HydrophobicContact CE2-CE1 4.09Å; V65-Y74 HydrophobicContact CG2-CD1 4.32Å; R66-Y74 CarbonylContact O-C 3.44Å; R66-Y74 VanDerWaalsContact O-CA 3.27Å; R66-Y74 WeakPolarHBondContact O-CA 3.36Å; F67-Y74 HydrophobicContact CB-CD1 3.69Å; F67-Y74 HydrophobicContact CB-CD2 4.41Å; F67-Y74 HydrophobicContact CB-CE1 3.55Å; F67-Y74 HydrophobicContact CB-CE2 4.25Å; F67-Y74 HydrophobicContact CB-CG 4.14Å; F67-Y74 HydrophobicContact CD2-CD2 4.02Å; F67-Y74 AromaticContact CD2-CE2 3.97Å; F67-Y74 HydrophobicContact CD2-CE2 3.97Å; F67-Y74 HydrophobicContact CD2-CG 4.41Å; F67-Y74 HydrophobicContact CG-CE2 4.45Å; Y74-W88 HydrophobicContact CD1-CD2 4.39Å; Y74-W88 AromaticContact CD1-CE3 3.31Å; Y74-W88 HydrophobicContact CD1-CE3 3.31Å; Y74-W88 AromaticContact CD1-CZ3 3.73Å; Y74-W88 HydrophobicContact CD1-CZ3 3.73Å; Y74-W88 HydrophobicContact CD2-CB 3.82Å; Y74-W88 HydrophobicContact CD2-CE3 4.38Å; Y74-W88 HydrophobicContact CE1-CD2 4.39Å; Y74-W88 AromaticContact CE1-CE3 3.49Å; Y74-W88 HydrophobicContact CE1-CE3 3.49Å; Y74-W88 VanDerWaalsContact CE1-CE3 3.49Å; Y74-W88 AromaticContact CE1-CZ3 3.78Å; Y74-W88 HydrophobicContact CE1-CZ3 3.78Å; Y74-W88 HydrophobicContact CE2-CB 4.12Å; Y74-W88 HydrophobicContact CG-CB 4.16Å; Y74-W88 AromaticContact CG-CE3 3.78Å; Y74-W88 HydrophobicContact CG-CE3 3.78Å; Y74-N89 WeakPolarHBondContact CB-OD1 3.39Å; Y74-N89 PolarHBondContact N-OD1 2.93Å; Y74-N89 PolarHBondContact O-ND2 3.43Å; Y74-I94 HydrophobicContact CE2-CG2 4.06Å; Y74-L95 HydrophobicContact CD2-CD1 4.43Å; Y74-A98 HydrophobicContact CE2-CB 3.99Å
75R98.7Very high98.4Very high141 Ų14154.1 Ų54.153%0.53228%0.28SS..EExtended strand (participates in β ladder)trans-126.6128176.6-69.4-66.4-173.6159.60.3109.6V65 R66 V71 E73 V77V65-R75 WeakPolarHBondContact CA-O 3.44Å; R66-R75 PolarHBondContact N-O 3.29Å; R66-R75 PolarHBondContact O-N 2.87Å; V71-R75 HydrophobicContact CG1-CG 4.43Å; E73-R75 IonicContact OE1-CZ 3.19Å; E73-R75 IonicContact OE1-NE 2.95Å; E73-R75 PolarHBondContact OE1-NE 2.88Å; E73-R75 IonicContact OE1-NH1 2.72Å; E73-R75 IonicContact OE1-NH2 2.7Å; E73-R75 PolarHBondContact OE1-NH2 3.49Å; R75-V77 PolarHBondContact O-N 3.32Å
76A98.4Very high98.3Very high43 Ų4360 Ų6036%0.35531%0.307SS..EExtended strand (participates in β ladder)trans-61.8123.8166.800000109R82 A85A76-R82 HydrophobicContact CB-CB 4.34Å; A76-A85 HydrophobicContact CB-CB 4.21Å
77V98.4Very high98.3Very high65 Ų6562.9 Ų62.939%0.39432%0.319SS..SBendtrans-86.4-31.5173.2-179.80000109.6E63 Y64 R66 R75E63-V77 HydrophobicContact CB-CG1 4.46Å; E63-V77 HydrophobicContact CG-CB 4.42Å; E63-V77 HydrophobicContact CG-CG2 4.05Å; E63-V77 WeakPolarHBondContact O-CB 3.24Å; E63-V77 WeakPolarHBondContact O-CG1 3.37Å; Y64-V77 PolarHBondContact O-N 2.95Å; R66-V77 HydrophobicContact CB-CG2 4.38Å; R66-V77 HydrophobicContact CG-CG2 3.89Å; R75-V77 PolarHBondContact O-N 3.32Å
78T98.2Very high98.3Very high33 Ų3364.7 Ų64.720%0.20233%0.326CS..SBendtrans-133.9167.9175.5710000110E62 E63 Y64 L80 G81E62-T78 HydrophobicContact CG-CG2 3.93Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.31Å; E63-T78 WeakPolarHBondContact O-CG2 3.41Å; Y64-T78 WeakPolarHBondContact CA-OG1 3.38Å; Y64-T78 WeakPolarHBondContact CB-OG1 3.31Å; Y64-T78 PolarHBondContact O-N 2.95Å; T78-L80 PolarHBondContact O-N 2.96Å; T78-L80 VanDerWaalsContact O-N 3.15Å; T78-G81 PolarHBondContact O-N 2.93Å; T78-G81 VanDerWaalsContact O-N 3.1Å
79E97.4Very high98.3Very high133 Ų13366.1 Ų66.162%0.62133%0.334SS*.G310 helixtrans-57.9-29.5179.7-69.5-60.2155.800113.3G81 R82E79-G81 VanDerWaalsContact C-N 3.26Å; E79-G81 PolarHBondContact O-N 3.36Å; E79-R82 WeakPolarHBondContact O-CB 3Å; E79-R82 PolarHBondContact O-N 2.95Å; E79-R82 IonicContact OE1-NH2 2.77Å; E79-R82 PolarHBondContact OE1-NH2 3.46Å; E79-R82 IonicContact OE2-CZ 3.37Å; E79-R82 IonicContact OE2-NE 3.71Å; E79-R82 PolarHBondContact OE2-NE 3.03Å; E79-R82 IonicContact OE2-NH2 3.46Å; E79-R82 PolarHBondContact OE2-NH2 3.42Å
80L97.1Very high98.3Very high96 Ų9668.1 Ų68.150%0.50335%0.347SS..G310 helixtrans-59.6-36.1178.1-179.464.4000112.2Y59 Y64 T78 P83Y59-L80 HydrophobicContact CG-CD2 4.33Å; Y64-L80 HydrophobicContact CD2-CG 4.45Å; Y64-L80 HydrophobicContact CG-CD2 4.2Å; Y64-L80 HydrophobicContact CG-CG 4.4Å; T78-L80 PolarHBondContact O-N 2.96Å; T78-L80 VanDerWaalsContact O-N 3.15Å; L80-P83 WeakPolarHBondContact O-CD 3.03Å
81G98.3Very high98.3Very high0 Ų067.6 Ų67.60%034%0.342CS..G310 helixtrans-90.12.4-17700000115.7Y64 T78 E79 D84 A85Y64-G81 WeakPolarHBondContact O-CA 3.34Å; T78-G81 PolarHBondContact O-N 2.93Å; T78-G81 VanDerWaalsContact O-N 3.1Å; E79-G81 VanDerWaalsContact C-N 3.26Å; E79-G81 PolarHBondContact O-N 3.36Å; G81-D84 PolarHBondContact O-N 3.25Å; G81-A85 WeakPolarHBondContact O-CB 3.28Å; G81-A85 PolarHBondContact O-N 3.07Å
82R98.5Very high98.3Very high122 Ų12267.9 Ų67.946%0.4635%0.346SS..Hα-helixtrans-58.1-47.7177.3-172.1-169.1-64.8-127.8-1.2112.4A76 E79 D84 A85 E86A76-R82 HydrophobicContact CB-CB 4.34Å; E79-R82 WeakPolarHBondContact O-CB 3Å; E79-R82 PolarHBondContact O-N 2.95Å; E79-R82 IonicContact OE1-NH2 2.77Å; E79-R82 PolarHBondContact OE1-NH2 3.46Å; E79-R82 IonicContact OE2-CZ 3.37Å; E79-R82 IonicContact OE2-NE 3.71Å; E79-R82 PolarHBondContact OE2-NE 3.03Å; E79-R82 IonicContact OE2-NH2 3.46Å; E79-R82 PolarHBondContact OE2-NH2 3.42Å; R82-D84 VanDerWaalsContact C-N 3.32Å; R82-D84 PolarHBondContact O-N 3.23Å; R82-A85 PolarHBondContact O-N 3.2Å; R82-E86 WeakPolarHBondContact CG-OE1 3.37Å; R82-E86 WeakPolarHBondContact O-CG 3.48Å; R82-E86 PolarHBondContact O-N 3.49Å
83P98.5Very high98.2Very high83 Ų8374.7 Ų74.754%0.53937%0.374SS..Hα-helixtrans-61.8-40.3179.1-2134.5000112.5L80 Y87L80-P83 WeakPolarHBondContact O-CD 3.03Å; P83-Y87 VanDerWaalsContact O-CB 3.27Å; P83-Y87 WeakPolarHBondContact O-CB 3.48Å; P83-Y87 PolarHBondContact O-N 3.31Å
84D98.3Very high98.2Very high50 Ų5074.8 Ų74.827%0.26738%0.376SS..Hα-helixtrans-69.1-44-179.1-60.6-46.1000111.6Y64 V65 G81 R82 E86 Y87 W88Y64-D84 VanDerWaalsContact CE2-OD2 3.29Å; Y64-D84 WeakPolarHBondContact CE2-OD2 3.45Å; V65-D84 HydrophobicContact CG1-CB 4.39Å; G81-D84 PolarHBondContact O-N 3.25Å; R82-D84 VanDerWaalsContact C-N 3.32Å; R82-D84 PolarHBondContact O-N 3.23Å; D84-E86 PolarHBondContact O-N 3.43Å; D84-Y87 PolarHBondContact O-N 3.42Å; D84-W88 HydrophobicContact CB-CD2 4.29Å; D84-W88 HydrophobicContact CB-CE3 4.21Å; D84-W88 HydrophobicContact CB-CH2 4.12Å; D84-W88 HydrophobicContact CB-CZ2 4.14Å; D84-W88 HydrophobicContact CB-CZ3 4.17Å; D84-W88 WeakPolarHBondContact O-CB 3.36Å; D84-W88 VanDerWaalsContact O-CG 3.24Å; D84-W88 PolarHBondContact O-N 3.03Å
85A98.6Very high98.2Very high8 Ų875 Ų757%0.06638%0.378CS..Hα-helixtrans-61.8-44.317700000111.7V65 A76 G81 R82 N89V65-A85 HydrophobicContact CG2-CB 4Å; A76-A85 HydrophobicContact CB-CB 4.21Å; G81-A85 WeakPolarHBondContact O-CB 3.28Å; G81-A85 PolarHBondContact O-N 3.07Å; R82-A85 PolarHBondContact O-N 3.2Å; A85-N89 WeakPolarHBondContact O-CB 3.24Å; A85-N89 PolarHBondContact O-N 3.43Å; A85-N89 PolarHBondContact O-ND2 2.83Å
86E98.4Very high98.2Very high125 Ų12574.1 Ų74.158%0.58438%0.38SS*.Hα-helixtrans-63.1-46.2176.1-72.9174.3-169.900111.5R82 D84 S90R82-E86 WeakPolarHBondContact CG-OE1 3.37Å; R82-E86 WeakPolarHBondContact O-CG 3.48Å; R82-E86 PolarHBondContact O-N 3.49Å; D84-E86 PolarHBondContact O-N 3.43Å; E86-S90 WeakPolarHBondContact O-CB 3.26Å; E86-S90 PolarHBondContact O-N 2.93Å; E86-S90 VanDerWaalsContact O-N 3.15Å
87Y98.4Very high98.1Very high132 Ų13277.4 Ų77.452%0.51839%0.391SS..Hα-helixtrans-64.1-53.1179.6177-112.1000111.8P83 D84 N89 S90 Q91P83-Y87 VanDerWaalsContact O-CB 3.27Å; P83-Y87 WeakPolarHBondContact O-CB 3.48Å; P83-Y87 PolarHBondContact O-N 3.31Å; D84-Y87 PolarHBondContact O-N 3.42Å; Y87-N89 PolarHBondContact O-N 3.35Å; Y87-S90 WeakPolarHBondContact O-CB 3.46Å; Y87-S90 PolarHBondContact O-N 3.31Å; Y87-S90 PolarHBondContact O-OG 2.86Å; Y87-Q91 HydrophobicContact CE2-CG 4.28Å; Y87-Q91 PolarHBondContact O-N 2.92Å
88W98.5Very high98.1Very high39 Ų3974.5 Ų74.515%0.14837%0.374CS..Hα-helixtrans-65.3-37.2-177.5-62.9-25.5000112.9Y57 V65 Y74 D84 S90 Q91 I94Y57-W88 AromaticContact CD1-CH2 3.94Å; Y57-W88 HydrophobicContact CD1-CH2 3.94Å; Y57-W88 HydrophobicContact CD2-CH2 4Å; Y57-W88 AromaticContact CD2-CZ3 3.91Å; Y57-W88 HydrophobicContact CD2-CZ3 3.91Å; Y57-W88 AromaticContact CE1-CH2 3.75Å; Y57-W88 HydrophobicContact CE1-CH2 3.75Å; Y57-W88 HydrophobicContact CE1-CZ2 4.44Å; Y57-W88 HydrophobicContact CE1-CZ3 4.46Å; Y57-W88 AromaticContact CE2-CH2 3.84Å; Y57-W88 HydrophobicContact CE2-CH2 3.84Å; Y57-W88 AromaticContact CE2-CZ3 3.71Å; Y57-W88 HydrophobicContact CE2-CZ3 3.71Å; Y57-W88 HydrophobicContact CG-CH2 4.06Å; Y57-W88 HydrophobicContact CG-CZ3 4.38Å; Y57-W88 AromaticContact CZ-CH2 3.68Å; Y57-W88 AromaticContact CZ-CZ3 3.98Å; V65-W88 HydrophobicContact CB-CZ3 4.37Å; V65-W88 HydrophobicContact CG1-CE3 4.47Å; V65-W88 HydrophobicContact CG1-CH2 3.87Å; V65-W88 HydrophobicContact CG1-CZ3 3.47Å; V65-W88 VanDerWaalsContact CG1-CZ3 3.47Å; V65-W88 HydrophobicContact CG2-CE3 4.22Å; V65-W88 HydrophobicContact CG2-CZ3 3.93Å; Y74-W88 HydrophobicContact CD1-CD2 4.39Å; Y74-W88 AromaticContact CD1-CE3 3.31Å; Y74-W88 HydrophobicContact CD1-CE3 3.31Å; Y74-W88 AromaticContact CD1-CZ3 3.73Å; Y74-W88 HydrophobicContact CD1-CZ3 3.73Å; Y74-W88 HydrophobicContact CD2-CB 3.82Å; Y74-W88 HydrophobicContact CD2-CE3 4.38Å; Y74-W88 HydrophobicContact CE1-CD2 4.39Å; Y74-W88 AromaticContact CE1-CE3 3.49Å; Y74-W88 HydrophobicContact CE1-CE3 3.49Å; Y74-W88 VanDerWaalsContact CE1-CE3 3.49Å; Y74-W88 AromaticContact CE1-CZ3 3.78Å; Y74-W88 HydrophobicContact CE1-CZ3 3.78Å; Y74-W88 HydrophobicContact CE2-CB 4.12Å; Y74-W88 HydrophobicContact CG-CB 4.16Å; Y74-W88 AromaticContact CG-CE3 3.78Å; Y74-W88 HydrophobicContact CG-CE3 3.78Å; D84-W88 HydrophobicContact CB-CD2 4.29Å; D84-W88 HydrophobicContact CB-CE3 4.21Å; D84-W88 HydrophobicContact CB-CH2 4.12Å; D84-W88 HydrophobicContact CB-CZ2 4.14Å; D84-W88 HydrophobicContact CB-CZ3 4.17Å; D84-W88 WeakPolarHBondContact O-CB 3.36Å; D84-W88 VanDerWaalsContact O-CG 3.24Å; D84-W88 PolarHBondContact O-N 3.03Å; W88-S90 PolarHBondContact O-N 2.71Å; W88-Q91 PolarHBondContact O-N 2.78Å; W88-I94 HydrophobicContact CB-CG2 4.22Å; W88-I94 HydrophobicContact CG-CG2 4.49Å
89N98.6Very high98.1Very high45 Ų4578.5 Ų78.524%0.24139%0.385CS..Hα-helixtrans-69.6-21.3174.4-69.6-27.3000113.2E73 Y74 A85 Y87 Q91E73-N89 WeakPolarHBondContact CB-OD1 3.49Å; Y74-N89 WeakPolarHBondContact CB-OD1 3.39Å; Y74-N89 PolarHBondContact N-OD1 2.93Å; Y74-N89 PolarHBondContact O-ND2 3.43Å; A85-N89 WeakPolarHBondContact O-CB 3.24Å; A85-N89 PolarHBondContact O-N 3.43Å; A85-N89 PolarHBondContact O-ND2 2.83Å; Y87-N89 PolarHBondContact O-N 3.35Å; N89-Q91 VanDerWaalsContact C-N 3.31Å
90S98.3Very high98.2Very high70 Ų7073.9 Ų73.949%0.4937%0.37SS..Hα-helixtrans-78.4-14.117579.30000113.7E86 Y87 W88 P92E86-S90 WeakPolarHBondContact O-CB 3.26Å; E86-S90 PolarHBondContact O-N 2.93Å; E86-S90 VanDerWaalsContact O-N 3.15Å; Y87-S90 WeakPolarHBondContact O-CB 3.46Å; Y87-S90 PolarHBondContact O-N 3.31Å; Y87-S90 PolarHBondContact O-OG 2.86Å; W88-S90 PolarHBondContact O-N 2.71Å; S90-P92 WeakPolarHBondContact O-CD 3.38Å
91Q98.3Very high98.3Very high73 Ų7370.4 Ų70.434%0.34135%0.354SS..  trans-100.3106.2-179.4-58.1-55.2-58.900109.9Y87 W88 N89 E93 I94 L95Y87-Q91 HydrophobicContact CE2-CG 4.28Å; Y87-Q91 PolarHBondContact O-N 2.92Å; W88-Q91 PolarHBondContact O-N 2.78Å; N89-Q91 VanDerWaalsContact C-N 3.31Å; Q91-E93 VanDerWaalsContact C-N 3.32Å; Q91-E93 PolarHBondContact O-N 3.1Å; Q91-I94 HydrophobicContact CB-CB 4.09Å; Q91-I94 HydrophobicContact CB-CD1 3.74Å; Q91-I94 HydrophobicContact CB-CG1 3.85Å; Q91-I94 HydrophobicContact CG-CD1 3.9Å; Q91-I94 PolarHBondContact O-N 2.84Å; Q91-L95 PolarHBondContact O-N 2.82Å
92P97.2Very high98.3Very high86 Ų8671.4 Ų71.456%0.55836%0.36SS*.Hα-helixtrans-58.3-41.9-175.7-25.935.5000113.2S90 I94 L95 E96S90-P92 WeakPolarHBondContact O-CD 3.38Å; P92-I94 PolarHBondContact O-N 2.77Å; P92-L95 PolarHBondContact O-N 2.83Å; P92-E96 WeakPolarHBondContact O-CB 3.26Å; P92-E96 VanDerWaalsContact O-CG 3.32Å; P92-E96 WeakPolarHBondContact O-CG 3.49Å; P92-E96 PolarHBondContact O-N 3.25Å
93E97.7Very high98.3Very high156 Ų15669.9 Ų69.973%0.72936%0.361SS*.Hα-helixtrans-59.9-46.2-179-62.8179.2-179.300111.7Q91 L95 E96 D97Q91-E93 VanDerWaalsContact C-N 3.32Å; Q91-E93 PolarHBondContact O-N 3.1Å; E93-L95 PolarHBondContact O-N 2.92Å; E93-E96 PolarHBondContact O-N 2.89Å; E93-D97 WeakPolarHBondContact O-CB 3.39Å; E93-D97 PolarHBondContact O-N 3.36Å
94I97.8Very high98.2Very high59 Ų5970.4 Ų70.430%0.30336%0.363SS..Hα-helixtrans-62.6-45.7179-60.8-178.5000110.8Y74 W88 Q91 P92 D97 A98Y74-I94 HydrophobicContact CE2-CG2 4.06Å; W88-I94 HydrophobicContact CB-CG2 4.22Å; W88-I94 HydrophobicContact CG-CG2 4.49Å; Q91-I94 HydrophobicContact CB-CB 4.09Å; Q91-I94 HydrophobicContact CB-CD1 3.74Å; Q91-I94 HydrophobicContact CB-CG1 3.85Å; Q91-I94 HydrophobicContact CG-CD1 3.9Å; Q91-I94 PolarHBondContact O-N 2.84Å; P92-I94 PolarHBondContact O-N 2.77Å; I94-D97 PolarHBondContact O-N 2.93Å; I94-A98 WeakPolarHBondContact O-CB 3.46Å; I94-A98 PolarHBondContact O-N 3.39Å
95L98.1Very high98.2Very high16 Ų1673.2 Ų73.28%0.08437%0.37CS..Hα-helixtrans-70-37.7-176.3-175.258.8000112.1F67 G72 E73 Y74 Q91 P92 E93 R99F67-L95 HydrophobicContact CD2-CD1 4.45Å; F67-L95 HydrophobicContact CE2-CD1 4.03Å; G72-L95 WeakPolarHBondContact O-CD1 3.46Å; E73-L95 HydrophobicContact CB-CD1 4Å; Y74-L95 HydrophobicContact CD2-CD1 4.43Å; Q91-L95 PolarHBondContact O-N 2.82Å; P92-L95 PolarHBondContact O-N 2.83Å; E93-L95 PolarHBondContact O-N 2.92Å; L95-R99 WeakPolarHBondContact O-CD 3.39Å; L95-R99 VanDerWaalsContact O-CG 3.22Å; L95-R99 WeakPolarHBondContact O-CG 3.19Å; L95-R99 PolarHBondContact O-N 3.48Å; L95-R99 VanDerWaalsContact O-N 3.08Å
96E98.1Very high98.2Very high122 Ų12272.8 Ų72.857%0.5737%0.367SS*.Hα-helixtrans-68.7-41.7175.1-72.3-177159.600111.9P92 E93 A98 R99 A100P92-E96 WeakPolarHBondContact O-CB 3.26Å; P92-E96 VanDerWaalsContact O-CG 3.32Å; P92-E96 WeakPolarHBondContact O-CG 3.49Å; P92-E96 PolarHBondContact O-N 3.25Å; E93-E96 PolarHBondContact O-N 2.89Å; E96-A98 PolarHBondContact O-N 2.97Å; E96-R99 PolarHBondContact O-N 2.86Å; E96-A100 WeakPolarHBondContact O-CB 3.29Å; E96-A100 PolarHBondContact O-N 2.86Å
97D98.2Very high98.2Very high112 Ų11270.4 Ų70.460%0.59935%0.353SS*.Hα-helixtrans-62.1-42.3174.8-79.2-11.9000111.8E93 I94 R99 A100 S101E93-D97 WeakPolarHBondContact O-CB 3.39Å; E93-D97 PolarHBondContact O-N 3.36Å; I94-D97 PolarHBondContact O-N 2.93Å; D97-R99 PolarHBondContact O-N 2.92Å; D97-A100 PolarHBondContact O-N 2.86Å; D97-S101 PolarHBondContact O-N 3.39Å; D97-S101 PolarHBondContact O-OG 2.94Å
98A98.1Very high98.2Very high4 Ų468.8 Ų68.83%0.03335%0.35CS..Hα-helixtrans-62.6-41.8175.900000111.9F67 Y74 I94 E96 S101F67-A98 HydrophobicContact CD1-CB 4.1Å; F67-A98 HydrophobicContact CD2-CB 3.72Å; F67-A98 HydrophobicContact CE1-CB 4.06Å; F67-A98 VanDerWaalsContact CE1-O 3.27Å; F67-A98 WeakPolarHBondContact CE1-O 3.39Å; F67-A98 HydrophobicContact CE2-CB 3.68Å; F67-A98 HydrophobicContact CG-CB 3.94Å; F67-A98 HydrophobicContact CZ-CB 3.86Å; Y74-A98 HydrophobicContact CE2-CB 3.99Å; I94-A98 WeakPolarHBondContact O-CB 3.46Å; I94-A98 PolarHBondContact O-N 3.39Å; E96-A98 PolarHBondContact O-N 2.97Å; A98-S101 WeakPolarHBondContact O-CB 3.5Å; A98-S101 PolarHBondContact O-N 3.33Å
99R98.5Very high98.1Very high117 Ų11769.9 Ų69.944%0.44236%0.358SS..Hα-helixtrans-64.5-41.7174.1-72166178.9166.31.1112F67 G72 L95 E96 D97 S101F67-R99 HydrophobicContact CE2-CG 4.14Å; F67-R99 HydrophobicContact CZ-CB 4.41Å; F67-R99 HydrophobicContact CZ-CG 3.79Å; G72-R99 VanDerWaalsContact O-CZ 3.29Å; G72-R99 PolarHBondContact O-NE 2.91Å; G72-R99 PolarHBondContact O-NH2 2.81Å; L95-R99 WeakPolarHBondContact O-CD 3.39Å; L95-R99 VanDerWaalsContact O-CG 3.22Å; L95-R99 WeakPolarHBondContact O-CG 3.19Å; L95-R99 PolarHBondContact O-N 3.48Å; L95-R99 VanDerWaalsContact O-N 3.08Å; E96-R99 PolarHBondContact O-N 2.86Å; D97-R99 PolarHBondContact O-N 2.92Å; R99-S101 PolarHBondContact O-N 3.29Å
100A98.5Very high98.1Very high36 Ų3669.8 Ų69.830%0.29836%0.355SS..Hα-helixtrans-67.7-22-18000000113.1E96 D97 V102 D103 T104E96-A100 WeakPolarHBondContact O-CB 3.29Å; E96-A100 PolarHBondContact O-N 2.86Å; D97-A100 PolarHBondContact O-N 2.86Å; A100-V102 PolarHBondContact O-N 2.82Å; A100-V102 VanDerWaalsContact O-N 3.09Å; A100-D103 PolarHBondContact O-N 2.84Å; A100-T104 HydrophobicContact CB-CG2 4.16Å; A100-T104 PolarHBondContact O-N 2.02Å; A100-T104 PolarHBondContact O-OG1 2.88Å; A100-T104 VanDerWaalsContact O-OG1 3.1Å
101S98.5Very high98Very high24 Ų2472 Ų7217%0.16836%0.358CS..Hα-helixtrans-60.3-21.6-176.9-66.40000114F53 D97 A98 R99 D103 T104 Y105 C106F53-S101 VanDerWaalsContact CE1-CB 3.46Å; D97-S101 PolarHBondContact O-N 3.39Å; D97-S101 PolarHBondContact O-OG 2.94Å; A98-S101 WeakPolarHBondContact O-CB 3.5Å; A98-S101 PolarHBondContact O-N 3.33Å; R99-S101 PolarHBondContact O-N 3.29Å; S101-D103 VanDerWaalsContact C-N 3.26Å; S101-D103 PolarHBondContact O-N 3.03Å; S101-T104 WeakPolarHBondContact CA-OG1 3.45Å; S101-Y105 WeakPolarHBondContact O-CA 3.18Å; S101-Y105 VanDerWaalsContact O-CB 3.29Å; S101-Y105 WeakPolarHBondContact O-CB 3.14Å; S101-Y105 PolarHBondContact O-N 3.03Å; S101-Y105 VanDerWaalsContact O-N 3.13Å; S101-C106 PolarHBondContact O-N 3.04Å
102V98.6Very high97.9Very high21 Ų2172 Ų7213%0.12736%0.359CS..Iπ-helixtrans-56.9-42.5170.1178.40000111.3V51 F53 S69 A100 C106 R107V51-V102 HydrophobicContact CB-CG1 3.92Å; V51-V102 HydrophobicContact CG1-CG1 4.06Å; F53-V102 HydrophobicContact CB-CG2 3.87Å; S69-V102 VanDerWaalsContact CB-CG2 3.45Å; A100-V102 PolarHBondContact O-N 2.82Å; A100-V102 VanDerWaalsContact O-N 3.09Å; V102-C106 VanDerWaalsContact O-CB 3.29Å; V102-C106 WeakPolarHBondContact O-CB 3.41Å; V102-R107 PolarHBondContact O-N 2.92Å
103D98.4Very high97.8Very high90 Ų9069.5 Ų69.548%0.48134%0.344SS..Iπ-helixtrans-96.6-48.2-176.3-62.8-39.9000111.4A100 S101 Y105 R107 H108A100-D103 PolarHBondContact O-N 2.84Å; S101-D103 VanDerWaalsContact C-N 3.26Å; S101-D103 PolarHBondContact O-N 3.03Å; D103-Y105 PolarHBondContact O-N 2.83Å; D103-R107 WeakPolarHBondContact OD1-CD 3.23Å; D103-R107 IonicContact OD1-CZ 3.62Å; D103-R107 IonicContact OD1-NE 2.7Å; D103-R107 PolarHBondContact OD1-NE 2.86Å; D103-H108 PolarHBondContact O-N 3.18Å
104T97.9Very high97.6Very high94 Ų9463.8 Ų63.858%0.57732%0.318SS*.Iπ-helixtrans-71.7-30.8-173.762.90000112.9A100 S101 H108A100-T104 HydrophobicContact CB-CG2 4.16Å; A100-T104 PolarHBondContact O-N 2.02Å; A100-T104 PolarHBondContact O-OG1 2.88Å; A100-T104 VanDerWaalsContact O-OG1 3.1Å; S101-T104 WeakPolarHBondContact CA-OG1 3.45Å; T104-H108 WeakPolarHBondContact O-CB 3.33Å
105Y97.9Very high97.4Very high108 Ų10869 Ų6942%0.42434%0.339SS..Iπ-helixtrans-105.8-61.2178.1-176.7-100.1000111.2F53 S101 D103 N109F53-Y105 HydrophobicContact CE2-CD1 4.1Å; F53-Y105 HydrophobicContact CE2-CE1 4.47Å; S101-Y105 WeakPolarHBondContact O-CA 3.18Å; S101-Y105 VanDerWaalsContact O-CB 3.29Å; S101-Y105 WeakPolarHBondContact O-CB 3.14Å; S101-Y105 PolarHBondContact O-N 3.03Å; S101-Y105 VanDerWaalsContact O-N 3.13Å; D103-Y105 PolarHBondContact O-N 2.83Å; Y105-N109 WeakPolarHBondContact CD2-ND2 3.34Å; Y105-N109 VanDerWaalsContact O-CB 3.25Å; Y105-N109 WeakPolarHBondContact O-CB 3.44Å; Y105-N109 PolarHBondContact O-N 3.01Å; Y105-N109 PolarHBondContact O-ND2 3.32Å
106C98.4Very high97.1Very high0 Ų073.9 Ų73.90%036%0.36CS..Iπ-helixtrans-69.1-56.6-170.5-630000113.2C42 F44 V51 F53 S101 V102 H108 N109 Y110C42-C106 HydrophobicContact CB-CB 3.63Å; C42-C106 WeakPolarHBondContact CB-SG 3.37Å; C42-C106 WeakPolarHBondContact SG-CA 3.14Å; C42-C106 WeakPolarHBondContact SG-CB 3.37Å; C42-C106 CovalentContact SG-SG 2.03Å; C42-C106 PolarHBondContact SG-SG 3.45Å; F44-C106 HydrophobicContact CE1-CB 4.09Å; F44-C106 HydrophobicContact CZ-CB 4Å; F44-C106 WeakPolarHBondContact CZ-O 3.09Å; V51-C106 HydrophobicContact CG1-CB 3.54Å; F53-C106 WeakPolarHBondContact CD2-SG 3.45Å; S101-C106 PolarHBondContact O-N 3.04Å; V102-C106 VanDerWaalsContact O-CB 3.29Å; V102-C106 WeakPolarHBondContact O-CB 3.41Å; C106-H108 PolarHBondContact O-N 3.34Å; C106-N109 PolarHBondContact O-N 2.92Å; C106-Y110 WeakPolarHBondContact O-CB 3.27Å; C106-Y110 PolarHBondContact O-N 3.41Å
107R98.4Very high96.8Very high74 Ų7469.9 Ų69.928%0.27934%0.342SS..Iπ-helixtrans-62.3-45.4179.5-70.3-174.6-168.8-94.9-12.4111.6T48 V51 V102 D103 N109 Y110 E111T48-R107 HydrophobicContact CG2-CG 4.44Å; T48-R107 PolarHBondContact O-NH1 2.97Å; T48-R107 PolarHBondContact O-NH2 3.49Å; V51-R107 HydrophobicContact CG2-CG 4.11Å; V102-R107 PolarHBondContact O-N 2.92Å; D103-R107 WeakPolarHBondContact OD1-CD 3.23Å; D103-R107 IonicContact OD1-CZ 3.62Å; D103-R107 IonicContact OD1-NE 2.7Å; D103-R107 PolarHBondContact OD1-NE 2.86Å; R107-N109 PolarHBondContact O-N 3.5Å; R107-Y110 WeakPolarHBondContact O-CB 3.42Å; R107-Y110 PolarHBondContact O-N 3.27Å; R107-Y110 VanDerWaalsContact O-N 3.15Å; R107-E111 WeakPolarHBondContact O-CG 3.32Å; R107-E111 PolarHBondContact O-N 2.9Å
108H97.3Very high96.6Very high98 Ų9867 Ų6745%0.45433%0.328SS..Hα-helixtrans-54.3-50.9177.3-179.170.9000112.5D103 T104 C106 Y110 E111 I112D103-H108 PolarHBondContact O-N 3.18Å; T104-H108 WeakPolarHBondContact O-CB 3.33Å; C106-H108 PolarHBondContact O-N 3.34Å; H108-Y110 VanDerWaalsContact C-N 3.33Å; H108-Y110 PolarHBondContact O-N 2.96Å; H108-E111 PolarHBondContact O-N 2.86Å; H108-I112 PolarHBondContact O-N 3.04Å
109N97.8Very high96.3Very high62 Ų6274.7 Ų74.733%0.33236%0.357SS..Hα-helixtrans-69.3-30.9178.6-76.9-67.7000112.7Y105 C106 R107 I112 S113Y105-N109 WeakPolarHBondContact CD2-ND2 3.34Å; Y105-N109 VanDerWaalsContact O-CB 3.25Å; Y105-N109 WeakPolarHBondContact O-CB 3.44Å; Y105-N109 PolarHBondContact O-N 3.01Å; Y105-N109 PolarHBondContact O-ND2 3.32Å; C106-N109 PolarHBondContact O-N 2.92Å; R107-N109 PolarHBondContact O-N 3.5Å; N109-I112 PolarHBondContact O-N 2.91Å; N109-S113 WeakPolarHBondContact O-CB 3.34Å; N109-S113 PolarHBondContact O-N 2.96Å; N109-S113 PolarHBondContact O-OG 2.98Å
110Y97.6Very high96.1Very high43 Ų4374 Ų7417%0.16935%0.354CS..Hα-helixtrans-62.6-44.6172.9-171.5-80.8000111.2F44 G47 T48 C106 R107 H108 I112 S113 D114 V118F44-Y110 HydrophobicContact CB-CD2 4.34Å; F44-Y110 HydrophobicContact CB-CE2 4.17Å; F44-Y110 AromaticContact CD1-CD2 3.45Å; F44-Y110 HydrophobicContact CD1-CD2 3.45Å; F44-Y110 VanDerWaalsContact CD1-CD2 3.45Å; F44-Y110 HydrophobicContact CD1-CE2 4.08Å; F44-Y110 HydrophobicContact CD1-CG 4.08Å; F44-Y110 AromaticContact CD2-CD2 3.88Å; F44-Y110 HydrophobicContact CD2-CD2 3.88Å; F44-Y110 HydrophobicContact CD2-CE2 4.36Å; F44-Y110 AromaticContact CE1-CD2 3.59Å; F44-Y110 HydrophobicContact CE1-CD2 3.59Å; F44-Y110 AromaticContact CE1-CG 3.91Å; F44-Y110 HydrophobicContact CE1-CG 3.91Å; F44-Y110 AromaticContact CE2-CD2 3.98Å; F44-Y110 HydrophobicContact CE2-CD2 3.98Å; F44-Y110 AromaticContact CG-CD2 3.62Å; F44-Y110 HydrophobicContact CG-CD2 3.62Å; F44-Y110 AromaticContact CG-CE2 3.94Å; F44-Y110 HydrophobicContact CG-CE2 3.94Å; F44-Y110 AromaticContact CZ-CD2 3.84Å; F44-Y110 HydrophobicContact CZ-CD2 3.84Å; F44-Y110 HydrophobicContact CZ-CG 4.3Å; G47-Y110 WeakPolarHBondContact CA-OH 3.13Å; T48-Y110 HydrophobicContact CG2-CD1 3.36Å; T48-Y110 HydrophobicContact CG2-CD2 4.27Å; T48-Y110 HydrophobicContact CG2-CE1 3.9Å; T48-Y110 HydrophobicContact CG2-CG 3.58Å; C106-Y110 WeakPolarHBondContact O-CB 3.27Å; C106-Y110 PolarHBondContact O-N 3.41Å; R107-Y110 WeakPolarHBondContact O-CB 3.42Å; R107-Y110 PolarHBondContact O-N 3.27Å; R107-Y110 VanDerWaalsContact O-N 3.15Å; H108-Y110 VanDerWaalsContact C-N 3.33Å; H108-Y110 PolarHBondContact O-N 2.96Å; Y110-I112 VanDerWaalsContact C-N 3.26Å; Y110-I112 PolarHBondContact O-N 2.94Å; Y110-S113 CarbonylContact O-C 3.55Å; Y110-S113 PolarHBondContact O-N 3.35Å; Y110-S113 VanDerWaalsContact O-N 3.15Å; Y110-D114 HydrophobicContact CD1-CB 4.31Å; Y110-D114 HydrophobicContact CE1-CB 4.15Å; Y110-D114 VanDerWaalsContact O-CB 3.29Å; Y110-D114 WeakPolarHBondContact O-CB 3.08Å; Y110-D114 PolarHBondContact O-N 3.26Å; Y110-V118 HydrophobicContact CE2-CG2 4.09Å
111E95.9Very high96.1Very high118 Ų11877.9 Ų77.955%0.55136%0.361SS*.Hα-helixtrans-60.9-35.5178-71.3175.9-176.100112.7R107 H108R107-E111 WeakPolarHBondContact O-CG 3.32Å; R107-E111 PolarHBondContact O-N 2.9Å; H108-E111 PolarHBondContact O-N 2.86Å
112I95.9Very high96.1Very high71 Ų7178.8 Ų78.836%0.36437%0.365SS..Hα-helixtrans-68.1-50.4173.4-65.8168.3000109.8H108 N109 Y110 D114 K115 F116H108-I112 PolarHBondContact O-N 3.04Å; N109-I112 PolarHBondContact O-N 2.91Å; Y110-I112 VanDerWaalsContact C-N 3.26Å; Y110-I112 PolarHBondContact O-N 2.94Å; I112-D114 VanDerWaalsContact C-N 3.3Å; I112-D114 PolarHBondContact O-N 2.65Å; I112-K115 WeakPolarHBondContact O-CB 3.47Å; I112-K115 PolarHBondContact O-N 3.31Å; I112-F116 HydrophobicContact CG2-CE1 4.03Å; I112-F116 VanDerWaalsContact O-CD1 3.3Å; I112-F116 WeakPolarHBondContact O-CD1 3.45Å; I112-F116 VanDerWaalsContact O-CE1 3.27Å; I112-F116 WeakPolarHBondContact O-CE1 3.2Å
113S95.3Very high96Very high35 Ų3583.7 Ų83.725%0.24539%0.387CS..Hα-helixtrans-66.1-29.5-178-58.60000113N109 Y110 K115 F116 L117 V118N109-S113 WeakPolarHBondContact O-CB 3.34Å; N109-S113 PolarHBondContact O-N 2.96Å; N109-S113 PolarHBondContact O-OG 2.98Å; Y110-S113 CarbonylContact O-C 3.55Å; Y110-S113 PolarHBondContact O-N 3.35Å; Y110-S113 VanDerWaalsContact O-N 3.15Å; S113-K115 PolarHBondContact O-N 2.9Å; S113-F116 PolarHBondContact O-N 3.42Å; S113-L117 WeakPolarHBondContact O-CA 3.09Å; S113-L117 PolarHBondContact O-N 2.74Å; S113-V118 PolarHBondContact O-N 3.43Å; S113-V118 VanDerWaalsContact O-N 3.1Å
114D94.9Very high96Very high35 Ų3580.1 Ų80.119%0.18737%0.368CS..Iπ-helixtrans-61.2-30.1-179.9-175.248.6000111.8Y110 I112 F116 V118 R119Y110-D114 HydrophobicContact CD1-CB 4.31Å; Y110-D114 HydrophobicContact CE1-CB 4.15Å; Y110-D114 VanDerWaalsContact O-CB 3.29Å; Y110-D114 WeakPolarHBondContact O-CB 3.08Å; Y110-D114 PolarHBondContact O-N 3.26Å; I112-D114 VanDerWaalsContact C-N 3.3Å; I112-D114 PolarHBondContact O-N 2.65Å; D114-F116 VanDerWaalsContact C-N 3.32Å; D114-F116 PolarHBondContact O-N 3.02Å; D114-V118 HydrophobicContact CB-CG2 4.44Å; D114-R119 VanDerWaalsContact O-CD 3.23Å; D114-R119 WeakPolarHBondContact O-CD 3.23Å; D114-R119 VanDerWaalsContact O-CG 3.24Å; D114-R119 WeakPolarHBondContact O-CG 3.44Å; D114-R119 PolarHBondContact O-NE 2.97Å; D114-R119 IonicContact OD1-CZ 2.68Å; D114-R119 IonicContact OD1-NE 2.87Å; D114-R119 PolarHBondContact OD1-NE 3.26Å; D114-R119 VanDerWaalsContact OD1-NE 3.11Å; D114-R119 IonicContact OD1-NH2 3.82Å; D114-R119 IonicContact OD2-CZ 3.22Å; D114-R119 VanDerWaalsContact OD2-CZ 3.24Å; D114-R119 IonicContact OD2-NE 3.9Å; D114-R119 PolarHBondContact OD2-NE 2.85Å; D114-R119 VanDerWaalsContact OD2-NE 3.12Å; D114-R119 IonicContact OD2-NH2 3.09Å; D114-R119 PolarHBondContact OD2-NH2 3Å
115K93.5Very high96Very high168 Ų16879.2 Ų79.273%0.7336%0.363SS*.Iπ-helixtrans-68.8-27.1-179.8-62.6173-174.8174.30113.5I112 S113I112-K115 WeakPolarHBondContact O-CB 3.47Å; I112-K115 PolarHBondContact O-N 3.31Å; S113-K115 PolarHBondContact O-N 2.9Å
116F91.4Very high96.1Very high119 Ų11975 Ų7552%0.52235%0.348SS..Iπ-helixtrans-142-25.8-171.569.3-80.3000116.3I112 S113 D114 R120I112-F116 HydrophobicContact CG2-CE1 4.03Å; I112-F116 VanDerWaalsContact O-CD1 3.3Å; I112-F116 WeakPolarHBondContact O-CD1 3.45Å; I112-F116 VanDerWaalsContact O-CE1 3.27Å; I112-F116 WeakPolarHBondContact O-CE1 3.2Å; S113-F116 PolarHBondContact O-N 3.42Å; D114-F116 VanDerWaalsContact C-N 3.32Å; D114-F116 PolarHBondContact O-N 3.02Å; F116-R120 WeakPolarHBondContact O-CB 3.38Å
117L92.5Very high96Very high39 Ų3978 Ų7820%0.20437%0.367CS..Iπ-helixtrans-100.8-53.9179.7-70.3173.6000112.9S113 R119 R120 W180S113-L117 WeakPolarHBondContact O-CA 3.09Å; S113-L117 PolarHBondContact O-N 2.74Å; L117-R119 VanDerWaalsContact C-N 3.29Å; L117-R119 PolarHBondContact O-N 3.3Å; L117-R120 WeakPolarHBondContact O-CB 3.41Å; L117-R120 PolarHBondContact O-N 3.17Å; L117-W180 HydrophobicContact CD1-CH2 4.11Å; L117-W180 HydrophobicContact CD1-CZ3 4.29Å; L117-W180 HydrophobicContact CD2-CE3 4.03Å; L117-W180 HydrophobicContact CD2-CH2 4.02Å; L117-W180 HydrophobicContact CD2-CZ3 3.65Å; L117-W180 HydrophobicContact CG-CZ3 4.5Å
118V92.4Very high95.9Very high51 Ų5175.5 Ų75.531%0.30936%0.36SS..Iπ-helixtrans-62.9-40.5-174.4-177.90000111Y110 S113 D114 R120 R121Y110-V118 HydrophobicContact CE2-CG2 4.09Å; S113-V118 PolarHBondContact O-N 3.43Å; S113-V118 VanDerWaalsContact O-N 3.1Å; D114-V118 HydrophobicContact CB-CG2 4.44Å; V118-R120 VanDerWaalsContact C-N 3.31Å; V118-R121 PolarHBondContact O-NH1 3.42Å
119R92.2Very high95.6Very high166 Ų16675.7 Ų75.763%0.62636%0.357SS*.THydrogen-bonded Turntrans-85.5-0.2178.1-62178.7-168.5-164.72.6113.6D114 L117 R121D114-R119 VanDerWaalsContact O-CD 3.23Å; D114-R119 WeakPolarHBondContact O-CD 3.23Å; D114-R119 VanDerWaalsContact O-CG 3.24Å; D114-R119 WeakPolarHBondContact O-CG 3.44Å; D114-R119 PolarHBondContact O-NE 2.97Å; D114-R119 IonicContact OD1-CZ 2.68Å; D114-R119 IonicContact OD1-NE 2.87Å; D114-R119 PolarHBondContact OD1-NE 3.26Å; D114-R119 VanDerWaalsContact OD1-NE 3.11Å; D114-R119 IonicContact OD1-NH2 3.82Å; D114-R119 IonicContact OD2-CZ 3.22Å; D114-R119 VanDerWaalsContact OD2-CZ 3.24Å; D114-R119 IonicContact OD2-NE 3.9Å; D114-R119 PolarHBondContact OD2-NE 2.85Å; D114-R119 VanDerWaalsContact OD2-NE 3.12Å; D114-R119 IonicContact OD2-NH2 3.09Å; D114-R119 PolarHBondContact OD2-NH2 3Å; L117-R119 VanDerWaalsContact C-N 3.29Å; L117-R119 PolarHBondContact O-N 3.3Å; R119-R121 PolarHBondContact O-N 3.23Å
120R95.8Very high95.3Very high102 Ų10274.5 Ų74.539%0.38535%0.353SS..  trans-59.4132179.1-174.3179.6174.890.4-0.8109.7F116 L117 V118 V122 Y150F116-R120 WeakPolarHBondContact O-CB 3.38Å; L117-R120 WeakPolarHBondContact O-CB 3.41Å; L117-R120 PolarHBondContact O-N 3.17Å; V118-R120 VanDerWaalsContact C-N 3.31Å; R120-V122 HydrophobicContact CG-CG2 4.33Å; R120-Y150 HydrophobicContact CB-CD1 3.89Å; R120-Y150 HydrophobicContact CB-CE1 3.87Å; R120-Y150 HydrophobicContact CG-CD1 3.91Å; R120-Y150 HydrophobicContact CG-CE1 4.31Å; R120-Y150 WeakPolarHBondContact O-CD1 3.44Å
121R97.1Very high94.6Very high118 Ų11875.9 Ų75.945%0.44537%0.366SS..  trans-133.1131.1174.2-63.3-60.2176.8-94.5-0.5108.3V118 R119 Y150V118-R121 PolarHBondContact O-NH1 3.42Å; R119-R121 PolarHBondContact O-N 3.23Å; R121-Y150 CarbonylContact C-O 3.48Å; R121-Y150 WeakPolarHBondContact CA-O 3.5Å
122V97.9Very high93.5Very high42 Ų4275.4 Ų75.426%0.25536%0.362SS..BIsolated β-bridgetrans-131.8125.6174.8-171.70000107.5R120 D148 F149 Y150 H204 S206R120-V122 HydrophobicContact CG-CG2 4.33Å; V122-D148 WeakPolarHBondContact CG1-O 3.23Å; V122-F149 WeakPolarHBondContact O-CA 3.44Å; V122-Y150 PolarHBondContact N-O 2.87Å; V122-Y150 PolarHBondContact O-N 3.49Å; V122-H204 PolarHBondContact O-CE1 2.91Å; V122-H204 VanDerWaalsContact O-CE1 3.23Å; V122-S206 PolarHBondContact O-OG 2.95Å
123E98.2Very high91.7Very high125 Ų12578.7 Ų78.758%0.58439%0.385SS*.PPolyproline II helixtrans-71139.2-177.9-65.6-178.5-176.400112.2S206 L207E123-S206 VanDerWaalsContact CA-OG 3.23Å; E123-S206 WeakPolarHBondContact CA-OG 3.46Å; E123-S206 WeakPolarHBondContact CG-OG 3.49Å; E123-L207 HydrophobicContact CB-CD2 4.11Å; E123-L207 HydrophobicContact CG-CD2 3.81Å
124P98.4Very high89.8Confident14 Ų1483.8 Ų83.89%0.09141%0.405CS..PPolyproline II helixtrans-71141.917726.7-32.1000112.2V126 V146 S147 F149 V202 H204 L207P124-V126 HydrophobicContact CB-CG2 4.28Å; P124-V126 HydrophobicContact CG-CG2 4.41Å; P124-V146 HydrophobicContact CB-CG1 3.54Å; P124-V146 HydrophobicContact CG-CG1 4.46Å; P124-S147 CarbonylContact C-O 3.55Å; P124-S147 WeakPolarHBondContact CA-O 3.24Å; P124-F149 HydrophobicContact CB-CB 3.8Å; P124-F149 HydrophobicContact CB-CD1 4.13Å; P124-F149 HydrophobicContact CB-CG 4.25Å; P124-V202 HydrophobicContact CG-CG1 4Å; P124-H204 HydrophobicContact CG-CB 4.33Å; P124-L207 HydrophobicContact CG-CD1 3.95Å
125T98.2Very high87.9Confident75 Ų7585.6 Ų85.646%0.4642%0.419SS..EExtended strand (participates in β ladder)trans-86.2122.7160.9-61.10000108.7V146 S147T125-V146 WeakPolarHBondContact O-CA 3.48Å; T125-S147 PolarHBondContact N-O 2.96Å; T125-S147 PolarHBondContact O-N 3.37Å
126V98.4Very high86Confident20 Ų2081.5 Ų81.512%0.12141%0.405CS..EExtended strand (participates in β ladder)trans-114.1124.5-176.4-172.40000110P124 S145 V146 V202 V211 V213P124-V126 HydrophobicContact CB-CG2 4.28Å; P124-V126 HydrophobicContact CG-CG2 4.41Å; V126-S145 WeakPolarHBondContact CA-O 3.44Å; V126-V146 HydrophobicContact CG1-CG2 4.45Å; V126-V146 HydrophobicContact CG2-CG1 4.33Å; V126-V202 HydrophobicContact CG1-CG2 3.92Å; V126-V202 HydrophobicContact CG2-CB 4.1Å; V126-V202 HydrophobicContact CG2-CG1 4.44Å; V126-V202 HydrophobicContact CG2-CG2 3.72Å; V126-V211 HydrophobicContact CB-CG1 4.09Å; V126-V211 HydrophobicContact CG2-CB 4.45Å; V126-V211 HydrophobicContact CG2-CG1 3.8Å; V126-V213 HydrophobicContact CB-CG2 3.8Å; V126-V213 HydrophobicContact CG1-CB 4.17Å; V126-V213 HydrophobicContact CG1-CG2 3.58Å
127T97.3Very high84.2Confident63 Ų6384.2 Ų84.239%0.38742%0.419SS..EExtended strand (participates in β ladder)trans-132.4140.8176.156.40000110.7C144 S145T127-C144 WeakPolarHBondContact O-CA 3.12Å; T127-S145 PolarHBondContact N-O 3.21Å; T127-S145 PolarHBondContact O-N 2.84Å; T127-S145 WeakPolarHBondContact OG1-CB 3.48Å
128V96.2Very high82.4Confident22 Ų2289 Ų8913%0.13344%0.44CS..EExtended strand (participates in β ladder)trans-120.9125.6177.9176.80000110.1L142 V143 C144 W158 C200 V213 W215V128-L142 HydrophobicContact CG1-CD1 3.82Å; V128-L142 HydrophobicContact CG1-CD2 4.03Å; V128-L142 HydrophobicContact CG1-CG 3.84Å; V128-V143 VanDerWaalsContact CA-O 3.28Å; V128-V143 WeakPolarHBondContact CA-O 3.39Å; V128-C144 HydrophobicContact CG2-CB 4.29Å; V128-W158 HydrophobicContact CG1-CH2 3.69Å; V128-W158 HydrophobicContact CG1-CZ3 4.28Å; V128-W158 HydrophobicContact CG2-CH2 4.12Å; V128-C200 HydrophobicContact CG2-CB 3.61Å; V128-V213 HydrophobicContact CB-CG1 3.95Å; V128-V213 HydrophobicContact CG2-CB 3.88Å; V128-V213 HydrophobicContact CG2-CG1 3.68Å; V128-W215 HydrophobicContact CB-CB 4.29Å; V128-W215 HydrophobicContact CG1-CB 3.5Å; V128-W215 HydrophobicContact CG1-CG 4.02Å
129Y91.5Very high80.8Confident102 Ų10292.1 Ų92.140%0.445%0.451SS..EExtended strand (participates in β ladder)trans-151.1150.1179.659.6-88.6000111.7V143Y129-V143 HydrophobicContact CD2-CB 4.3Å; Y129-V143 HydrophobicContact CE1-CB 4.29Å; Y129-V143 HydrophobicContact CE1-CG1 4.26Å; Y129-V143 HydrophobicContact CE2-CB 3.92Å; Y129-V143 HydrophobicContact CE2-CG1 4.31Å; Y129-V143 HydrophobicContact CE2-CG2 4.05Å; Y129-V143 PolarHBondContact N-O 2.96Å; Y129-V143 PolarHBondContact O-N 2.91Å
130P90.2Very high79.9Confident37 Ų3784.7 Ų84.724%0.2442%0.424CS..EExtended strand (participates in β ladder)trans-78.8146.4172.634.1-34.3000110.2K132 L141 L142 W215P130-K132 WeakPolarHBondContact CB-O 3.39Å; P130-K132 PolarHBondContact O-N 3.09Å; P130-L141 WeakPolarHBondContact CA-O 3.43Å; P130-L142 HydrophobicContact CB-CD1 4.36Å; P130-W215 HydrophobicContact CB-CZ2 4.34Å; P130-W215 HydrophobicContact CG-CZ2 4.14Å
131T83.6Confident79.5Confident72 Ų7282.7 Ų82.744%0.44242%0.42SS..SBendtrans-65-28.317548.70000113.1L141 V143T131-L141 HydrophobicContact CG2-CB 3.68Å; T131-L141 HydrophobicContact CG2-CD1 4.44Å; T131-L141 PolarHBondContact N-O 2.84Å; T131-L141 PolarHBondContact OG1-O 2.97Å; T131-V143 HydrophobicContact CG2-CG2 3.52Å
132K72.3Confident79.3Confident108 Ų10877.2 Ų77.247%0.4740%0.4SS..SBendtrans-127.2139.1177-64.1-177.6-178.3173.90109.8P130 Q134 L136P130-K132 WeakPolarHBondContact CB-O 3.39Å; P130-K132 PolarHBondContact O-N 3.09Å; K132-Q134 VanDerWaalsContact C-N 3.31Å; K132-Q134 PolarHBondContact O-N 3.25Å; K132-L136 HydrophobicContact CD-CD1 3.45Å; K132-L136 VanDerWaalsContact CD-CD1 3.45Å
133T58.2Low79.2Confident139 Ų13975.4 Ų75.485%0.85339%0.389SS*.SBendtrans-77.3-15.9-178.747.50000113.4
134Q56.7Low79.2Confident142 Ų14269.5 Ų69.566%0.66436%0.361SS*.SBendtrans-110.8135.5176.9-67.1-178.116.900110.7K132 L136K132-Q134 VanDerWaalsContact C-N 3.31Å; K132-Q134 PolarHBondContact O-N 3.25Å; Q134-L136 PolarHBondContact O-N 2.72Å
135P54.6Low79.2Confident74 Ų7469.6 Ų69.648%0.48136%0.363SS..  trans-65.8102.5169.4-5.719.8000109.1T220P135-T220 HydrophobicContact CG-CG2 4.03Å
136L53.9Low79.2Confident82 Ų8266 Ų6643%0.42934%0.341SS..  trans-79.6148.4165.4-76.3157.7000108.5K132 Q134 H138K132-L136 HydrophobicContact CD-CD1 3.45Å; K132-L136 VanDerWaalsContact CD-CD1 3.45Å; Q134-L136 PolarHBondContact O-N 2.72Å; L136-H138 PolarHBondContact O-N 2.9Å
137E53.4Low79.2Confident176 Ų17666.1 Ų66.182%0.82234%0.342SS*.SBendtrans-64.9-7.4178.6-66-177.8158.500113.3
138H53.1Low79.2Confident140 Ų14066.5 Ų66.565%0.64834%0.342SS*.SBendtrans-128.5102.4-176.9-58.160.2000108.6L136L136-H138 PolarHBondContact O-N 2.9Å
139H59.6Low79.3Confident116 Ų11665.4 Ų65.454%0.53734%0.335SS..  trans51.9108.9166.6-52.7-89.6000116.7E189H139-E189 HydrophobicContact CB-CG 4.39Å; H139-E189 IonicContact CE1-OE1 3.72Å; H139-E189 PolarHBondContact CE1-OE1 2.9Å; H139-E189 IonicContact CG-OE1 3.8Å; H139-E189 IonicContact ND1-OE1 3.94Å; H139-E189 PolarHBondContact ND1-OE1 2.76Å
140N74.4Confident79.6Confident10 Ų1062.6 Ų62.65%0.05332%0.324CS..EExtended strand (participates in β ladder)trans-100.6139.3166.5-93-13.4000110.1T190N140-T190 CarbonylContact C-O 3.46Å; N140-T190 WeakPolarHBondContact CA-O 3.45Å; N140-T190 WeakPolarHBondContact CB-O 3.17Å; N140-T190 PolarHBondContact N-O 3.48Å; N140-T190 PolarHBondContact O-N 3.21Å
141L86.5Confident79.9Confident59 Ų5961.8 Ų61.831%0.30932%0.319SS..EExtended strand (participates in β ladder)trans-102118.3172.5-68.9166.3000108.4P130 T131 M187 L188 E189P130-L141 WeakPolarHBondContact CA-O 3.43Å; T131-L141 HydrophobicContact CG2-CB 3.68Å; T131-L141 HydrophobicContact CG2-CD1 4.44Å; T131-L141 PolarHBondContact N-O 2.84Å; T131-L141 PolarHBondContact OG1-O 2.97Å; L141-M187 HydrophobicContact CD2-CB 4.45Å; L141-L188 WeakPolarHBondContact CA-O 3.46Å; L141-E189 HydrophobicContact CD2-CB 3.94Å; L141-E189 HydrophobicContact CD2-CG 4.28Å
142L92.7Very high80.5Confident3 Ų359.2 Ų59.22%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-90.3121.4167.8-168.267.9000108.2V128 P130 W158 M187 L188 Y198 W215V128-L142 HydrophobicContact CG1-CD1 3.82Å; V128-L142 HydrophobicContact CG1-CD2 4.03Å; V128-L142 HydrophobicContact CG1-CG 3.84Å; P130-L142 HydrophobicContact CB-CD1 4.36Å; L142-W158 HydrophobicContact CB-CH2 4.3Å; L142-W158 HydrophobicContact CD2-CE3 4.41Å; L142-W158 HydrophobicContact CD2-CH2 3.41Å; L142-W158 VanDerWaalsContact CD2-CH2 3.41Å; L142-W158 HydrophobicContact CD2-CZ2 4.34Å; L142-W158 HydrophobicContact CD2-CZ3 3.45Å; L142-W158 VanDerWaalsContact CD2-CZ3 3.45Å; L142-W158 HydrophobicContact CG-CH2 3.58Å; L142-W158 HydrophobicContact CG-CZ2 4.22Å; L142-W158 HydrophobicContact CG-CZ3 4.17Å; L142-M187 CarbonylContact O-C 3.55Å; L142-M187 WeakPolarHBondContact O-CA 3.43Å; L142-L188 PolarHBondContact N-O 2.87Å; L142-L188 PolarHBondContact O-N 2.6Å; L142-Y198 VanDerWaalsContact CD2-CB 3.43Å; L142-Y198 HydrophobicContact CD2-CD1 4.21Å; L142-Y198 HydrophobicContact CD2-CD2 4.45Å; L142-Y198 HydrophobicContact CD2-CG 3.79Å; L142-W215 HydrophobicContact CD1-CB 4.45Å; L142-W215 HydrophobicContact CD1-CD2 3.6Å; L142-W215 HydrophobicContact CD1-CE3 3.84Å; L142-W215 HydrophobicContact CD1-CG 3.87Å; L142-W215 HydrophobicContact CD1-CZ2 4.41Å; L142-W215 HydrophobicContact CD1-CZ3 4.33Å; L142-W215 HydrophobicContact CD2-CB 4.43Å; L142-W215 HydrophobicContact CD2-CD2 4.33Å; L142-W215 HydrophobicContact CD2-CE3 3.96Å
143V95.6Very high81.7Confident5 Ų558.9 Ų58.93%0.0331%0.31CS..EExtended strand (participates in β ladder)trans-101.8126.6-175.4-171.70000108.8V128 Y129 T131 L185 M187V128-V143 VanDerWaalsContact CA-O 3.28Å; V128-V143 WeakPolarHBondContact CA-O 3.39Å; Y129-V143 HydrophobicContact CD2-CB 4.3Å; Y129-V143 HydrophobicContact CE1-CB 4.29Å; Y129-V143 HydrophobicContact CE1-CG1 4.26Å; Y129-V143 HydrophobicContact CE2-CB 3.92Å; Y129-V143 HydrophobicContact CE2-CG1 4.31Å; Y129-V143 HydrophobicContact CE2-CG2 4.05Å; Y129-V143 PolarHBondContact N-O 2.96Å; Y129-V143 PolarHBondContact O-N 2.91Å; T131-V143 HydrophobicContact CG2-CG2 3.52Å; V143-L185 HydrophobicContact CG1-CB 4.36Å; V143-L185 HydrophobicContact CG1-CD2 4.28Å; V143-M187 HydrophobicContact CG1-CG 4.27Å; V143-M187 HydrophobicContact CG2-CG 4.22Å
144C97.8Very high83.6Confident0 Ų054.4 Ų54.40%028%0.281CS..EExtended strand (participates in β ladder)trans-99.6105.6160.8-174.20000107.6T127 V128 W158 V186 C200T127-C144 WeakPolarHBondContact O-CA 3.12Å; V128-C144 HydrophobicContact CG2-CB 4.29Å; C144-W158 HydrophobicContact CB-CH2 4.02Å; C144-W158 HydrophobicContact CB-CZ2 3.45Å; C144-W158 VanDerWaalsContact CB-CZ2 3.45Å; C144-V186 WeakPolarHBondContact CB-O 3.4Å; C144-V186 PolarHBondContact N-O 3.22Å; C144-V186 PolarHBondContact O-N 3.46Å; C144-C200 HydrophobicContact CB-CB 3.62Å; C144-C200 WeakPolarHBondContact CB-SG 3.31Å; C144-C200 WeakPolarHBondContact SG-CB 3.08Å; C144-C200 CovalentContact SG-SG 2.02Å; C144-C200 PolarHBondContact SG-SG 3.02Å
145S98Very high85.5Confident17 Ų1751.9 Ų51.912%0.11927%0.269CS..EExtended strand (participates in β ladder)trans-91121.9174.6179.90000108.9V126 T127 L185V126-S145 WeakPolarHBondContact CA-O 3.44Å; T127-S145 PolarHBondContact N-O 3.21Å; T127-S145 PolarHBondContact O-N 2.84Å; T127-S145 WeakPolarHBondContact OG1-CB 3.48Å; S145-L185 WeakPolarHBondContact OG-CD2 3.27Å
146V98.6Very high87.6Confident0 Ų049.7 Ų49.70%025%0.254CS..EExtended strand (participates in β ladder)trans-120.8112.4-179.7-170.60000107.5P124 T125 V126 F149 I154 V156 Q183 T184 V202P124-V146 HydrophobicContact CB-CG1 3.54Å; P124-V146 HydrophobicContact CG-CG1 4.46Å; T125-V146 WeakPolarHBondContact O-CA 3.48Å; V126-V146 HydrophobicContact CG1-CG2 4.45Å; V126-V146 HydrophobicContact CG2-CG1 4.33Å; V146-F149 HydrophobicContact CB-CE1 4.4Å; V146-F149 HydrophobicContact CG1-CD1 3.94Å; V146-F149 HydrophobicContact CG1-CE1 3.92Å; V146-F149 WeakPolarHBondContact O-CE1 3.44Å; V146-I154 HydrophobicContact CG1-CD1 3.53Å; V146-V156 HydrophobicContact CG2-CG1 4.48Å; V146-V156 HydrophobicContact CG2-CG2 4.12Å; V146-Q183 CarbonylContact O-C 3.55Å; V146-Q183 VanDerWaalsContact O-CA 3.26Å; V146-Q183 WeakPolarHBondContact O-CA 3.21Å; V146-T184 HydrophobicContact CB-CG2 4.04Å; V146-T184 PolarHBondContact N-O 3.11Å; V146-T184 PolarHBondContact O-N 3.12Å; V146-V202 HydrophobicContact CG1-CG1 4.11Å; V146-V202 HydrophobicContact CG1-CG2 4.46Å; V146-V202 HydrophobicContact CG2-CG2 3.85Å
147S98.1Very high89.7Confident22 Ų2248.7 Ų48.715%0.15425%0.245CC..EExtended strand (participates in β ladder)trans-128166.5-172.267.30000113P124 T125 F149P124-S147 CarbonylContact C-O 3.55Å; P124-S147 WeakPolarHBondContact CA-O 3.24Å; T125-S147 PolarHBondContact N-O 2.96Å; T125-S147 PolarHBondContact O-N 3.37Å; S147-F149 VanDerWaalsContact C-N 3.3Å; S147-F149 PolarHBondContact O-N 2.88Å
148D97.7Very high91.9Very high70 Ų7040.3 Ų40.337%0.37421%0.205SC..EExtended strand (participates in β ladder)trans63.627.2166.3-47.1-54.2000115.2V122 F182V122-D148 WeakPolarHBondContact CG1-O 3.23Å; D148-F182 PolarHBondContact N-O 2.66Å; D148-F182 VanDerWaalsContact N-O 3.09Å
149F98.3Very high94Very high0 Ų035.6 Ų35.60%018%0.183CC..EExtended strand (participates in β ladder)trans-104.8157.9-177.564.3-89.1000114V122 P124 V146 S147 P151 I154 L174 T181 F182 T184 H204V122-F149 WeakPolarHBondContact O-CA 3.44Å; P124-F149 HydrophobicContact CB-CB 3.8Å; P124-F149 HydrophobicContact CB-CD1 4.13Å; P124-F149 HydrophobicContact CB-CG 4.25Å; V146-F149 HydrophobicContact CB-CE1 4.4Å; V146-F149 HydrophobicContact CG1-CD1 3.94Å; V146-F149 HydrophobicContact CG1-CE1 3.92Å; V146-F149 WeakPolarHBondContact O-CE1 3.44Å; S147-F149 VanDerWaalsContact C-N 3.3Å; S147-F149 PolarHBondContact O-N 2.88Å; F149-P151 WeakPolarHBondContact CD2-O 3.35Å; F149-I154 HydrophobicContact CD1-CD1 3.94Å; F149-I154 HydrophobicContact CD2-CB 4.47Å; F149-I154 HydrophobicContact CD2-CD1 3.85Å; F149-I154 HydrophobicContact CE1-CD1 3.78Å; F149-I154 HydrophobicContact CE2-CB 3.87Å; F149-I154 HydrophobicContact CE2-CD1 3.7Å; F149-I154 HydrophobicContact CE2-CG1 4.41Å; F149-I154 HydrophobicContact CE2-CG2 3.82Å; F149-I154 HydrophobicContact CG-CD1 3.98Å; F149-I154 HydrophobicContact CZ-CB 4.25Å; F149-I154 HydrophobicContact CZ-CD1 3.67Å; F149-I154 HydrophobicContact CZ-CG2 3.8Å; F149-L174 HydrophobicContact CE2-CD1 3.85Å; F149-L174 HydrophobicContact CZ-CD1 3.69Å; F149-T181 WeakPolarHBondContact O-CA 3.43Å; F149-F182 WeakPolarHBondContact CD1-O 3.45Å; F149-F182 HydrophobicContact CD2-CB 4.17Å; F149-F182 HydrophobicContact CE1-CB 4.3Å; F149-F182 WeakPolarHBondContact CE1-O 3.33Å; F149-F182 HydrophobicContact CE2-CB 3.72Å; F149-F182 HydrophobicContact CZ-CB 3.78Å; F149-F182 PolarHBondContact N-O 2.69Å; F149-F182 PolarHBondContact O-N 3.15Å; F149-T184 HydrophobicContact CE1-CG2 4.26Å; F149-T184 HydrophobicContact CZ-CG2 4.18Å; F149-H204 AromaticContact CD2-CD2 3.96Å; F149-H204 AromaticContact CD2-NE2 3.8Å
150Y98.1Very high95.7Very high42 Ų4233.7 Ų33.717%0.16517%0.171CC..BIsolated β-bridgetrans-156.3138.5172.5-174-83.3000110.1R120 R121 V122 W180 F182 H204R120-Y150 HydrophobicContact CB-CD1 3.89Å; R120-Y150 HydrophobicContact CB-CE1 3.87Å; R120-Y150 HydrophobicContact CG-CD1 3.91Å; R120-Y150 HydrophobicContact CG-CE1 4.31Å; R120-Y150 WeakPolarHBondContact O-CD1 3.44Å; R121-Y150 CarbonylContact C-O 3.48Å; R121-Y150 WeakPolarHBondContact CA-O 3.5Å; V122-Y150 PolarHBondContact N-O 2.87Å; V122-Y150 PolarHBondContact O-N 3.49Å; Y150-W180 WeakPolarHBondContact CD2-O 3.35Å; Y150-F182 HydrophobicContact CD2-CD2 4.07Å; Y150-F182 AromaticContact CD2-CE2 3.58Å; Y150-F182 HydrophobicContact CD2-CE2 3.58Å; Y150-F182 AromaticContact CE2-CE2 3.86Å; Y150-F182 HydrophobicContact CE2-CE2 3.86Å; Y150-H204 VanDerWaalsContact C-CE1 3.47Å; Y150-H204 PolarHBondContact O-CE1 2.97Å
151P97.3Very high96.6Very high20 Ų2038 Ų3813%0.1319%0.194CC..SBendcis-73.7-178.93.832.1-39.4000114F149 N153 H204 P205F149-P151 WeakPolarHBondContact CD2-O 3.35Å; P151-N153 VanDerWaalsContact C-N 3.33Å; P151-N153 WeakPolarHBondContact CG-OD1 3.33Å; P151-N153 PolarHBondContact O-N 2.99Å; P151-H204 PolarHBondContact O-NE2 2.97Å; P151-P205 HydrophobicContact CG-CG 4.45Å
152G96.8Very high97Very high19 Ų1938.1 Ų38.120%0.19621%0.21CC..SBendtrans-75.3-14.8-174.700000115.5I154 L174G152-I154 PolarHBondContact O-N 2.62Å; G152-L174 WeakPolarHBondContact O-CD1 3.45Å
153N95.9Very high97.1Very high100 Ų10046 Ų4654%0.53524%0.244SC..  trans-77.1116.6179.563.3-75.3000110.4P151 H204 P205P151-N153 VanDerWaalsContact C-N 3.33Å; P151-N153 WeakPolarHBondContact CG-OD1 3.33Å; P151-N153 PolarHBondContact O-N 2.99Å; N153-H204 PolarHBondContact O-CD2 3.49Å; N153-H204 VanDerWaalsContact O-CD2 3.31Å; N153-P205 WeakPolarHBondContact ND2-CG 3.07Å; N153-P205 WeakPolarHBondContact O-CD 3.29Å
154I98Very high97.2Very high45 Ų4549.4 Ų49.423%0.23126%0.26CS..  trans-144.8148.1-174.4-166.8162.4000109.7V146 F149 G152 V156 T184 V202 H204V146-I154 HydrophobicContact CG1-CD1 3.53Å; F149-I154 HydrophobicContact CD1-CD1 3.94Å; F149-I154 HydrophobicContact CD2-CB 4.47Å; F149-I154 HydrophobicContact CD2-CD1 3.85Å; F149-I154 HydrophobicContact CE1-CD1 3.78Å; F149-I154 HydrophobicContact CE2-CB 3.87Å; F149-I154 HydrophobicContact CE2-CD1 3.7Å; F149-I154 HydrophobicContact CE2-CG1 4.41Å; F149-I154 HydrophobicContact CE2-CG2 3.82Å; F149-I154 HydrophobicContact CG-CD1 3.98Å; F149-I154 HydrophobicContact CZ-CB 4.25Å; F149-I154 HydrophobicContact CZ-CD1 3.67Å; F149-I154 HydrophobicContact CZ-CG2 3.8Å; G152-I154 PolarHBondContact O-N 2.62Å; I154-V156 HydrophobicContact CG1-CG2 4.24Å; I154-T184 HydrophobicContact CG2-CG2 4.3Å; I154-V202 HydrophobicContact CD1-CG1 3.73Å; I154-V202 HydrophobicContact CG1-CG1 3.95Å; I154-H204 HydrophobicContact CD1-CB 4.46Å; I154-H204 HydrophobicContact CG1-CB 4.26Å
155E97.9Very high97.1Very high89 Ų8951.3 Ų51.342%0.41627%0.269SS..EExtended strand (participates in β ladder)trans-122130.3172.5-168.5178176.800110R157 V202 E203E155-R157 HydrophobicContact CG-CG 4.39Å; E155-R157 IonicContact OE1-CZ 3.67Å; E155-R157 IonicContact OE1-NE 3.36Å; E155-R157 PolarHBondContact OE1-NE 3.42Å; E155-R157 IonicContact OE1-NH2 3.8Å; E155-R157 PolarHBondContact OE1-NH2 3.38Å; E155-R157 IonicContact OE2-CZ 3.25Å; E155-R157 IonicContact OE2-NE 2.68Å; E155-R157 IonicContact OE2-NH2 2.71Å; E155-R157 PolarHBondContact OE2-NH2 3.49Å; E155-V202 WeakPolarHBondContact O-CA 3.41Å; E155-E203 HydrophobicContact CB-CB 4.28Å; E155-E203 PolarHBondContact N-O 2.83Å; E155-E203 PolarHBondContact O-N 2.91Å
156V98.3Very high96.9Very high29 Ų2957.7 Ų57.718%0.17629%0.294CS..EExtended strand (participates in β ladder)trans-129.7120.3-177.5-176.40000108.6V146 I154 T184 V186 C200 Q201 V202V146-V156 HydrophobicContact CG2-CG1 4.48Å; V146-V156 HydrophobicContact CG2-CG2 4.12Å; I154-V156 HydrophobicContact CG1-CG2 4.24Å; V156-T184 HydrophobicContact CG2-CG2 4.43Å; V156-V186 HydrophobicContact CB-CB 4.41Å; V156-V186 HydrophobicContact CB-CG2 3.8Å; V156-V186 HydrophobicContact CG1-CB 3.82Å; V156-V186 HydrophobicContact CG1-CG1 4.19Å; V156-V186 HydrophobicContact CG1-CG2 3.71Å; V156-V186 HydrophobicContact CG2-CG2 4.19Å; V156-C200 VanDerWaalsContact CG1-SG 3.56Å; V156-Q201 CarbonylContact C-O 3.54Å; V156-Q201 WeakPolarHBondContact CA-O 3.4Å; V156-V202 HydrophobicContact CG1-CG2 4.27Å; V156-V202 HydrophobicContact CG2-CG1 4.46Å; V156-V202 HydrophobicContact CG2-CG2 4.25Å
157R98.2Very high96.7Very high60 Ų6062.6 Ų62.623%0.22633%0.325CS..EExtended strand (participates in β ladder)trans-121145.2-178.4-57.5-174.4-156.8129.810.3110.9E155 F159 Q201 E203E155-R157 HydrophobicContact CG-CG 4.39Å; E155-R157 IonicContact OE1-CZ 3.67Å; E155-R157 IonicContact OE1-NE 3.36Å; E155-R157 PolarHBondContact OE1-NE 3.42Å; E155-R157 IonicContact OE1-NH2 3.8Å; E155-R157 PolarHBondContact OE1-NH2 3.38Å; E155-R157 IonicContact OE2-CZ 3.25Å; E155-R157 IonicContact OE2-NE 2.68Å; E155-R157 IonicContact OE2-NH2 2.71Å; E155-R157 PolarHBondContact OE2-NH2 3.49Å; R157-F159 HydrophobicContact CB-CE2 3.79Å; R157-F159 HydrophobicContact CB-CZ 4.46Å; R157-Q201 PolarHBondContact N-O 2.79Å; R157-Q201 PolarHBondContact O-N 3Å; R157-E203 IonicContact CZ-OE1 3.98Å; R157-E203 IonicContact NH1-OE1 2.84Å; R157-E203 PolarHBondContact NH1-OE1 2.77Å; R157-E203 VanDerWaalsContact NH2-CD 3.3Å; R157-E203 IonicContact NH2-OE1 3.15Å; R157-E203 PolarHBondContact NH2-OE1 3.48Å; R157-E203 IonicContact NH2-OE2 3.21Å; R157-E203 PolarHBondContact NH2-OE2 2.95Å
158W98.1Very high96.3Very high0 Ų063.2 Ų63.20%033%0.334CS..EExtended strand (participates in β ladder)trans-101.8142.7172.5-84.2107.7000110.9V128 L142 C144 E164 E165 I169 V186 L188 T199 C200V128-W158 HydrophobicContact CG1-CH2 3.69Å; V128-W158 HydrophobicContact CG1-CZ3 4.28Å; V128-W158 HydrophobicContact CG2-CH2 4.12Å; L142-W158 HydrophobicContact CB-CH2 4.3Å; L142-W158 HydrophobicContact CD2-CE3 4.41Å; L142-W158 HydrophobicContact CD2-CH2 3.41Å; L142-W158 VanDerWaalsContact CD2-CH2 3.41Å; L142-W158 HydrophobicContact CD2-CZ2 4.34Å; L142-W158 HydrophobicContact CD2-CZ3 3.45Å; L142-W158 VanDerWaalsContact CD2-CZ3 3.45Å; L142-W158 HydrophobicContact CG-CH2 3.58Å; L142-W158 HydrophobicContact CG-CZ2 4.22Å; L142-W158 HydrophobicContact CG-CZ3 4.17Å; C144-W158 HydrophobicContact CB-CH2 4.02Å; C144-W158 HydrophobicContact CB-CZ2 3.45Å; C144-W158 VanDerWaalsContact CB-CZ2 3.45Å; W158-E164 WeakPolarHBondContact O-CA 3.43Å; W158-E165 HydrophobicContact CB-CB 4.28Å; W158-E165 PolarHBondContact O-N 2.81Å; W158-I169 HydrophobicContact CB-CD1 3.91Å; W158-I169 HydrophobicContact CG-CD1 4.34Å; W158-V186 PolarHBondContact NE1-O 3.32Å; W158-V186 VanDerWaalsContact NE1-O 3.1Å; W158-L188 HydrophobicContact CB-CD2 4.44Å; W158-L188 HydrophobicContact CD2-CB 4.09Å; W158-L188 HydrophobicContact CD2-CD2 4.23Å; W158-L188 HydrophobicContact CE3-CD2 4.33Å; W158-L188 HydrophobicContact CG-CB 4.14Å; W158-L188 HydrophobicContact CG-CD2 4.31Å; W158-L188 HydrophobicContact CZ2-CB 4.41Å; W158-T199 CarbonylContact C-O 3.58Å; W158-C200 HydrophobicContact CE3-CB 4.27Å; W158-C200 HydrophobicContact CH2-CB 4.05Å; W158-C200 HydrophobicContact CZ2-CB 4.4Å; W158-C200 HydrophobicContact CZ3-CB 3.98Å
159F97.5Very high96.2Very high41 Ų4162.7 Ų62.718%0.1833%0.331CS..EExtended strand (participates in β ladder)trans-129.6139.4171.9-63.3-104.6000110.1R157 K163 E164 Y198 T199 Q201R157-F159 HydrophobicContact CB-CE2 3.79Å; R157-F159 HydrophobicContact CB-CZ 4.46Å; F159-K163 CarbonylContact C-O 3.48Å; F159-K163 WeakPolarHBondContact CA-O 3.34Å; F159-E164 HydrophobicContact CD1-CB 4.03Å; F159-E164 HydrophobicContact CE1-CB 3.79Å; F159-E164 HydrophobicContact CE1-CG 4.27Å; F159-E164 HydrophobicContact CZ-CB 4.33Å; F159-E164 HydrophobicContact CZ-CG 4.33Å; F159-Y198 CarbonylContact O-C 3.5Å; F159-Y198 WeakPolarHBondContact O-CA 3.44Å; F159-T199 PolarHBondContact N-O 2.92Å; F159-T199 PolarHBondContact O-N 3.07Å; F159-Q201 HydrophobicContact CD2-CB 4.18Å; F159-Q201 HydrophobicContact CE2-CB 3.77Å; F159-Q201 HydrophobicContact CE2-CG 4.47Å; F159-Q201 VanDerWaalsContact CE2-OE1 3.32Å
160R95.3Very high96Very high76 Ų7666.2 Ų66.229%0.28735%0.352SS..EExtended strand (participates in β ladder)trans-116.2119.6171-177.7-179.6-179.9173.93108.7G162 K163 E196 Y198R160-G162 PolarHBondContact O-N 3.45Å; R160-G162 VanDerWaalsContact O-N 3.12Å; R160-K163 PolarHBondContact N-O 3.32Å; R160-K163 PolarHBondContact O-N 2.84Å; R160-E196 IonicContact CZ-OE1 2.85Å; R160-E196 IonicContact CZ-OE2 3.17Å; R160-E196 IonicContact NE-OE1 2.92Å; R160-E196 PolarHBondContact NE-OE1 2.98Å; R160-E196 IonicContact NE-OE2 3.76Å; R160-E196 IonicContact NH2-OE1 2.63Å; R160-E196 PolarHBondContact NH2-OE1 3.33Å; R160-E196 IonicContact NH2-OE2 3.4Å; R160-E196 PolarHBondContact NH2-OE2 3.1Å; R160-Y198 HydrophobicContact CB-CD1 4.32Å; R160-Y198 HydrophobicContact CB-CE1 4.22Å; R160-Y198 HydrophobicContact CG-CD1 4.31Å; R160-Y198 HydrophobicContact CG-CE1 3.84Å; R160-Y198 PolarHBondContact NE-OH 3.04Å
161N94.4Very high95.8Very high100 Ų10067.3 Ų67.354%0.53537%0.366SS..THydrogen-bonded Turntrans50.136.6-177.3-57.9-33.7000113.1K163 V197N161-K163 VanDerWaalsContact C-N 3.35Å; N161-K163 PolarHBondContact O-N 2.65Å; N161-V197 PolarHBondContact N-O 3.35Å; N161-V197 PolarHBondContact OD1-N 2.83Å
162G93.6Very high95.7Very high63 Ų6369.7 Ų69.765%0.64938%0.38SS*.THydrogen-bonded Turntrans84.9-4.9179.900000115.7R160R160-G162 PolarHBondContact O-N 3.45Å; R160-G162 VanDerWaalsContact O-N 3.12Å
163K96.6Very high95.6Very high168 Ų16870.3 Ų70.373%0.7339%0.387SS*.EExtended strand (participates in β ladder)trans-97.4133.2173.9-172.3179.1177.9-175.70110.3F159 R160 N161 E165F159-K163 CarbonylContact C-O 3.48Å; F159-K163 WeakPolarHBondContact CA-O 3.34Å; R160-K163 PolarHBondContact N-O 3.32Å; R160-K163 PolarHBondContact O-N 2.84Å; N161-K163 VanDerWaalsContact C-N 3.35Å; N161-K163 PolarHBondContact O-N 2.65Å; K163-E165 PolarHBondContact O-N 2.68Å
164E97.1Very high95.7Very high76 Ų7669.7 Ų69.736%0.35538%0.383SS..EExtended strand (participates in β ladder)trans-61131.1176.7-167.4-172.2-179.100110.4W158 F159 K166W158-E164 WeakPolarHBondContact O-CA 3.43Å; F159-E164 HydrophobicContact CD1-CB 4.03Å; F159-E164 HydrophobicContact CE1-CB 3.79Å; F159-E164 HydrophobicContact CE1-CG 4.27Å; F159-E164 HydrophobicContact CZ-CB 4.33Å; F159-E164 HydrophobicContact CZ-CG 4.33Å; E164-K166 WeakPolarHBondContact OE1-CE 3.43Å; E164-K166 IonicContact OE1-NZ 3.42Å; E164-K166 WeakPolarHBondContact OE2-CE 3.39Å; E164-K166 IonicContact OE2-NZ 3.9Å; E164-K166 PolarHBondContact OE2-NZ 2.7Å
165E95.6Very high95.7Very high40 Ų4070.5 Ų70.519%0.18739%0.39CS..EExtended strand (participates in β ladder)trans-101.5137.6175.5-170.254.6-10500109.1W158 K163 T167 I169 L188W158-E165 HydrophobicContact CB-CB 4.28Å; W158-E165 PolarHBondContact O-N 2.81Å; K163-E165 PolarHBondContact O-N 2.68Å; E165-T167 PolarHBondContact OE1-N 3.09Å; E165-T167 VanDerWaalsContact OE1-N 3.1Å; E165-T167 PolarHBondContact OE1-OG1 2.7Å; E165-I169 WeakPolarHBondContact O-CD1 3.04Å; E165-L188 HydrophobicContact CG-CD1 3.72Å; E165-L188 HydrophobicContact CG-CD2 4.49Å
166K94.3Very high95.7Very high151 Ų15174.9 Ų74.966%0.65740%0.403SS*.  trans-128.2-14.4179.2-62.8-172.3-179.6-175.80112.4E164E164-K166 WeakPolarHBondContact OE1-CE 3.43Å; E164-K166 IonicContact OE1-NZ 3.42Å; E164-K166 WeakPolarHBondContact OE2-CE 3.39Å; E164-K166 IonicContact OE2-NZ 3.9Å; E164-K166 PolarHBondContact OE2-NZ 2.7Å
167T93.3Very high95.6Very high104 Ų10476 Ų7664%0.63841%0.408SS*.THydrogen-bonded Turntrans-94.2145.5-178.3650000110.4E165 I169 L188E165-T167 PolarHBondContact OE1-N 3.09Å; E165-T167 VanDerWaalsContact OE1-N 3.1Å; E165-T167 PolarHBondContact OE1-OG1 2.7Å; T167-I169 PolarHBondContact O-N 2.85Å; T167-L188 WeakPolarHBondContact O-CD1 3.29Å
168G90Very high95.4Very high34 Ų3476.3 Ų76.335%0.35143%0.43SS..THydrogen-bonded Turntrans68.716.7179.600000114.8E189G168-E189 WeakPolarHBondContact O-CB 3.44Å; G168-E189 PolarHBondContact O-N 3.37Å
169I94.9Very high95.3Very high60 Ų6080.8 Ų80.831%0.30845%0.453SS..EExtended strand (participates in β ladder)trans-90.6129.7177.2-62.6178000110.2W158 E165 T167 V186 M187 L188W158-I169 HydrophobicContact CB-CD1 3.91Å; W158-I169 HydrophobicContact CG-CD1 4.34Å; E165-I169 WeakPolarHBondContact O-CD1 3.04Å; T167-I169 PolarHBondContact O-N 2.85Å; I169-V186 HydrophobicContact CG2-CG1 3.66Å; I169-M187 CarbonylContact C-O 3.58Å; I169-M187 VanDerWaalsContact CA-O 3.29Å; I169-M187 WeakPolarHBondContact CA-O 3.39Å; I169-L188 HydrophobicContact CG1-CD1 3.88Å
170V94.3Very high95.2Very high73 Ų7385.7 Ų85.744%0.44247%0.471SS..EExtended strand (participates in β ladder)trans-127.5129.5176.4-176.30000109.1M187V170-M187 HydrophobicContact CB-CE 4.16Å; V170-M187 HydrophobicContact CG1-CE 3.89Å; V170-M187 PolarHBondContact N-O 3.39Å; V170-M187 PolarHBondContact O-N 2.84Å
171S95.4Very high95.3Very high65 Ų6582.7 Ų82.746%0.45546%0.461SS..EExtended strand (participates in β ladder)trans-112.2144.4176177.60000110.6G173 L185S171-G173 PolarHBondContact O-N 3.39Å; S171-G173 PolarHBondContact OG-N 2.91Å; S171-L185 WeakPolarHBondContact CA-O 3.44Å
172T94.4Very high95.5Very high70 Ų7078.6 Ų78.643%0.42944%0.439SS..  trans-71.2-12.1168.6540000113.1L185 M187T172-L185 HydrophobicContact CG2-CB 3.77Å; T172-L185 HydrophobicContact CG2-CD1 4.19Å; T172-L185 HydrophobicContact CG2-CG 4.18Å; T172-L185 PolarHBondContact N-O 2.73Å; T172-L185 PolarHBondContact OG1-N 3.15Å; T172-M187 HydrophobicContact CG2-CE 4.24Å
173G95.4Very high95.7Very high33 Ų3379 Ų7934%0.3442%0.423SS..  trans70.4-178.8-160.700000111.8S171 T184S171-G173 PolarHBondContact O-N 3.39Å; S171-G173 PolarHBondContact OG-N 2.91Å; G173-T184 PolarHBondContact O-OG1 3.33Å
174L97.1Very high95.8Very high87 Ų8771.3 Ų71.346%0.45539%0.391SS..  trans-77122.7-177.2-169.272.2000111F149 G152 F182F149-L174 HydrophobicContact CE2-CD1 3.85Å; F149-L174 HydrophobicContact CZ-CD1 3.69Å; G152-L174 WeakPolarHBondContact O-CD1 3.45Å; L174-F182 HydrophobicContact CD1-CB 3.66Å; L174-F182 HydrophobicContact CD1-CD1 4Å; L174-F182 HydrophobicContact CD1-CG 3.97Å; L174-F182 HydrophobicContact CD2-CD1 3.63Å; L174-F182 HydrophobicContact CD2-CE1 3.81Å; L174-F182 HydrophobicContact CD2-CG 4.2Å; L174-F182 HydrophobicContact CG-CB 4.25Å; L174-F182 HydrophobicContact CG-CD1 3.66Å; L174-F182 HydrophobicContact CG-CE1 4.31Å; L174-F182 HydrophobicContact CG-CG 4.16Å
175V97.7Very high95.8Very high62 Ų6269.8 Ų69.838%0.37639%0.385SS..EExtended strand (participates in β ladder)trans-105.7131.3175.61800000109.3F182 Q183V175-F182 CarbonylContact O-C 3.54Å; V175-F182 VanDerWaalsContact O-CA 3.27Å; V175-F182 WeakPolarHBondContact O-CA 3.39Å; V175-Q183 HydrophobicContact CB-CG 3.75Å; V175-Q183 HydrophobicContact CG1-CG 4.08Å; V175-Q183 PolarHBondContact N-O 2.77Å; V175-Q183 PolarHBondContact O-N 3.42Å
176R97.3Very high95.9Very high181 Ų18168.3 Ų68.368%0.68338%0.379SS*.EExtended strand (participates in β ladder)trans-94124.1176.2-175.3-174.7-65-91.81.8109.9F182R176-F182 HydrophobicContact CB-CD1 4.19Å; R176-F182 HydrophobicContact CB-CE1 4.07Å; R176-F182 HydrophobicContact CG-CD1 4.49Å; R176-F182 HydrophobicContact CG-CE1 4.11Å
177N96.7Very high95.9Very high52 Ų5263 Ų6328%0.27836%0.357SS..  trans-80.2-23.1-175.1-66.4-20.1000113.8D179 T181 Q183N177-D179 VanDerWaalsContact CB-OD1 3.23Å; N177-D179 WeakPolarHBondContact CB-OD1 3.47Å; N177-T181 PolarHBondContact N-O 2.87Å; N177-T181 VanDerWaalsContact N-O 3.15Å; N177-T181 PolarHBondContact ND2-OG1 2.63Å; N177-Q183 WeakPolarHBondContact OD1-CG 3Å; N177-Q183 PolarHBondContact OD1-NE2 3.27Å
178G95.4Very high96Very high67 Ų6758.2 Ų58.269%0.69133%0.327SS*.SBendtrans91.5-1-176.400000114.3
179D95.8Very high96.1Very high93 Ų9360.7 Ų60.750%0.49733%0.33SS..SBendtrans-114.823179.967-5.4000112.9N177 T181N177-D179 VanDerWaalsContact CB-OD1 3.23Å; N177-D179 WeakPolarHBondContact CB-OD1 3.47Å; D179-T181 VanDerWaalsContact C-N 3.29Å; D179-T181 PolarHBondContact O-N 2.88Å; D179-T181 WeakPolarHBondContact OD1-CB 3.41Å; D179-T181 PolarHBondContact OD1-N 2.93Å; D179-T181 PolarHBondContact OD1-OG1 2.84Å; D179-T181 PolarHBondContact OD2-OG1 3.17Å
180W94.3Very high95.8Very high144 Ų14458.7 Ų58.755%0.54532%0.32SS..SBendtrans68.818.4-173.4-56.578.6000115.5L117 Y150L117-W180 HydrophobicContact CD1-CH2 4.11Å; L117-W180 HydrophobicContact CD1-CZ3 4.29Å; L117-W180 HydrophobicContact CD2-CE3 4.03Å; L117-W180 HydrophobicContact CD2-CH2 4.02Å; L117-W180 HydrophobicContact CD2-CZ3 3.65Å; L117-W180 HydrophobicContact CG-CZ3 4.5Å; Y150-W180 WeakPolarHBondContact CD2-O 3.35Å
181T97.6Very high95.3Very high14 Ų1458.7 Ų58.79%0.08632%0.32CS..  trans-118.6165.2168.570.70000112.1F149 N177 D179F149-T181 WeakPolarHBondContact O-CA 3.43Å; N177-T181 PolarHBondContact N-O 2.87Å; N177-T181 VanDerWaalsContact N-O 3.15Å; N177-T181 PolarHBondContact ND2-OG1 2.63Å; D179-T181 VanDerWaalsContact C-N 3.29Å; D179-T181 PolarHBondContact O-N 2.88Å; D179-T181 WeakPolarHBondContact OD1-CB 3.41Å; D179-T181 PolarHBondContact OD1-N 2.93Å; D179-T181 PolarHBondContact OD1-OG1 2.84Å; D179-T181 PolarHBondContact OD2-OG1 3.17Å
182F98.3Very high94.7Very high13 Ų1356.7 Ų56.76%0.05731%0.306CS..EExtended strand (participates in β ladder)trans-122.4161.3175.3-61.1-84.3000111.2D148 F149 Y150 L174 V175 R176D148-F182 PolarHBondContact N-O 2.66Å; D148-F182 VanDerWaalsContact N-O 3.09Å; F149-F182 WeakPolarHBondContact CD1-O 3.45Å; F149-F182 HydrophobicContact CD2-CB 4.17Å; F149-F182 HydrophobicContact CE1-CB 4.3Å; F149-F182 WeakPolarHBondContact CE1-O 3.33Å; F149-F182 HydrophobicContact CE2-CB 3.72Å; F149-F182 HydrophobicContact CZ-CB 3.78Å; F149-F182 PolarHBondContact N-O 2.69Å; F149-F182 PolarHBondContact O-N 3.15Å; Y150-F182 HydrophobicContact CD2-CD2 4.07Å; Y150-F182 AromaticContact CD2-CE2 3.58Å; Y150-F182 HydrophobicContact CD2-CE2 3.58Å; Y150-F182 AromaticContact CE2-CE2 3.86Å; Y150-F182 HydrophobicContact CE2-CE2 3.86Å; L174-F182 HydrophobicContact CD1-CB 3.66Å; L174-F182 HydrophobicContact CD1-CD1 4Å; L174-F182 HydrophobicContact CD1-CG 3.97Å; L174-F182 HydrophobicContact CD2-CD1 3.63Å; L174-F182 HydrophobicContact CD2-CE1 3.81Å; L174-F182 HydrophobicContact CD2-CG 4.2Å; L174-F182 HydrophobicContact CG-CB 4.25Å; L174-F182 HydrophobicContact CG-CD1 3.66Å; L174-F182 HydrophobicContact CG-CE1 4.31Å; L174-F182 HydrophobicContact CG-CG 4.16Å; V175-F182 CarbonylContact O-C 3.54Å; V175-F182 VanDerWaalsContact O-CA 3.27Å; V175-F182 WeakPolarHBondContact O-CA 3.39Å; R176-F182 HydrophobicContact CB-CD1 4.19Å; R176-F182 HydrophobicContact CB-CE1 4.07Å; R176-F182 HydrophobicContact CG-CD1 4.49Å; R176-F182 HydrophobicContact CG-CE1 4.11Å
183Q98.3Very high94.2Very high71 Ų7159.5 Ų59.533%0.33231%0.314SS..EExtended strand (participates in β ladder)trans-140.8157.4169.367.1-179.7-63.500110.9V146 V175 N177V146-Q183 CarbonylContact O-C 3.55Å; V146-Q183 VanDerWaalsContact O-CA 3.26Å; V146-Q183 WeakPolarHBondContact O-CA 3.21Å; V175-Q183 HydrophobicContact CB-CG 3.75Å; V175-Q183 HydrophobicContact CG1-CG 4.08Å; V175-Q183 PolarHBondContact N-O 2.77Å; V175-Q183 PolarHBondContact O-N 3.42Å; N177-Q183 WeakPolarHBondContact OD1-CG 3Å; N177-Q183 PolarHBondContact OD1-NE2 3.27Å
184T98.3Very high93.5Very high7 Ų762 Ų624%0.04333%0.326CS..EExtended strand (participates in β ladder)trans-150.9144.7171.6-1770000109.7V146 F149 I154 V156 G173V146-T184 HydrophobicContact CB-CG2 4.04Å; V146-T184 PolarHBondContact N-O 3.11Å; V146-T184 PolarHBondContact O-N 3.12Å; F149-T184 HydrophobicContact CE1-CG2 4.26Å; F149-T184 HydrophobicContact CZ-CG2 4.18Å; I154-T184 HydrophobicContact CG2-CG2 4.3Å; V156-T184 HydrophobicContact CG2-CG2 4.43Å; G173-T184 PolarHBondContact O-OG1 3.33Å
185L97.6Very high92.9Very high45 Ų4559.9 Ų59.924%0.23633%0.326CS..EExtended strand (participates in β ladder)trans-108.4128.5170.1-52.8179000108.7V143 S145 S171 T172V143-L185 HydrophobicContact CG1-CB 4.36Å; V143-L185 HydrophobicContact CG1-CD2 4.28Å; S145-L185 WeakPolarHBondContact OG-CD2 3.27Å; S171-L185 WeakPolarHBondContact CA-O 3.44Å; T172-L185 HydrophobicContact CG2-CB 3.77Å; T172-L185 HydrophobicContact CG2-CD1 4.19Å; T172-L185 HydrophobicContact CG2-CG 4.18Å; T172-L185 PolarHBondContact N-O 2.73Å; T172-L185 PolarHBondContact OG1-N 3.15Å
186V97.6Very high92.6Very high9 Ų957.9 Ų57.96%0.05531%0.312CS..EExtended strand (participates in β ladder)trans-118.8107.9174.5-174.10000108.5C144 V156 W158 I169C144-V186 WeakPolarHBondContact CB-O 3.4Å; C144-V186 PolarHBondContact N-O 3.22Å; C144-V186 PolarHBondContact O-N 3.46Å; V156-V186 HydrophobicContact CB-CB 4.41Å; V156-V186 HydrophobicContact CB-CG2 3.8Å; V156-V186 HydrophobicContact CG1-CB 3.82Å; V156-V186 HydrophobicContact CG1-CG1 4.19Å; V156-V186 HydrophobicContact CG1-CG2 3.71Å; V156-V186 HydrophobicContact CG2-CG2 4.19Å; W158-V186 PolarHBondContact NE1-O 3.32Å; W158-V186 VanDerWaalsContact NE1-O 3.1Å; I169-V186 HydrophobicContact CG2-CG1 3.66Å
187M95.4Very high92.4Very high39 Ų3951.2 Ų51.219%0.19229%0.292CS..EExtended strand (participates in β ladder)trans-101.2137.4-171.6-60.3167.5-77.900109.7L141 L142 V143 I169 V170 T172L141-M187 HydrophobicContact CD2-CB 4.45Å; L142-M187 CarbonylContact O-C 3.55Å; L142-M187 WeakPolarHBondContact O-CA 3.43Å; V143-M187 HydrophobicContact CG1-CG 4.27Å; V143-M187 HydrophobicContact CG2-CG 4.22Å; I169-M187 CarbonylContact C-O 3.58Å; I169-M187 VanDerWaalsContact CA-O 3.29Å; I169-M187 WeakPolarHBondContact CA-O 3.39Å; V170-M187 HydrophobicContact CB-CE 4.16Å; V170-M187 HydrophobicContact CG1-CE 3.89Å; V170-M187 PolarHBondContact N-O 3.39Å; V170-M187 PolarHBondContact O-N 2.84Å; T172-M187 HydrophobicContact CG2-CE 4.24Å
188L95Very high92.3Very high4 Ų448.8 Ų48.82%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-113.1119.9172.6175.265.2000109.3L141 L142 W158 E165 T167 I169 T190 Y198L141-L188 WeakPolarHBondContact CA-O 3.46Å; L142-L188 PolarHBondContact N-O 2.87Å; L142-L188 PolarHBondContact O-N 2.6Å; W158-L188 HydrophobicContact CB-CD2 4.44Å; W158-L188 HydrophobicContact CD2-CB 4.09Å; W158-L188 HydrophobicContact CD2-CD2 4.23Å; W158-L188 HydrophobicContact CE3-CD2 4.33Å; W158-L188 HydrophobicContact CG-CB 4.14Å; W158-L188 HydrophobicContact CG-CD2 4.31Å; W158-L188 HydrophobicContact CZ2-CB 4.41Å; E165-L188 HydrophobicContact CG-CD1 3.72Å; E165-L188 HydrophobicContact CG-CD2 4.49Å; T167-L188 WeakPolarHBondContact O-CD1 3.29Å; I169-L188 HydrophobicContact CG1-CD1 3.88Å; L188-T190 HydrophobicContact CD2-CG2 4.27Å; L188-T190 HydrophobicContact CG-CG2 4.2Å; L188-Y198 HydrophobicContact CD2-CD1 3.69Å; L188-Y198 HydrophobicContact CD2-CE1 3.91Å
189E91.9Very high92.4Very high86 Ų8646.4 Ų46.440%0.40225%0.25SS..EExtended strand (participates in β ladder)trans-80.5113.8172.1-169.2178.6178.500110.3H139 L141 G168H139-E189 HydrophobicContact CB-CG 4.39Å; H139-E189 IonicContact CE1-OE1 3.72Å; H139-E189 PolarHBondContact CE1-OE1 2.9Å; H139-E189 IonicContact CG-OE1 3.8Å; H139-E189 IonicContact ND1-OE1 3.94Å; H139-E189 PolarHBondContact ND1-OE1 2.76Å; L141-E189 HydrophobicContact CD2-CB 3.94Å; L141-E189 HydrophobicContact CD2-CG 4.28Å; G168-E189 WeakPolarHBondContact O-CB 3.44Å; G168-E189 PolarHBondContact O-N 3.37Å
190T87.4Confident92.6Very high18 Ų1842 Ų4211%0.1123%0.227CC..EExtended strand (participates in β ladder)trans-156.1165.9-177.7-176.40000111.2N140 L188 P192 Y198N140-T190 CarbonylContact C-O 3.46Å; N140-T190 WeakPolarHBondContact CA-O 3.45Å; N140-T190 WeakPolarHBondContact CB-O 3.17Å; N140-T190 PolarHBondContact N-O 3.48Å; N140-T190 PolarHBondContact O-N 3.21Å; L188-T190 HydrophobicContact CD2-CG2 4.27Å; L188-T190 HydrophobicContact CG-CG2 4.2Å; T190-P192 HydrophobicContact CG2-CG 4.13Å; T190-Y198 HydrophobicContact CG2-CE1 3.86Å; T190-Y198 PolarHBondContact OG1-OH 2.75Å; T190-Y198 VanDerWaalsContact OG1-OH 3.1Å
191V85.2Confident92.8Very high73 Ų7336.9 Ų36.944%0.44221%0.209SC..  trans-114.294.3168.3-177.80000107Q193V191-Q193 PolarHBondContact O-N 2.91Å
192P82.9Confident92.8Very high23 Ų2336.2 Ų36.215%0.14921%0.205CC..PPolyproline II helixtrans-63.1126.3-172.6-21.230.8000112.2T190 Y198 W215 A217T190-P192 HydrophobicContact CG2-CG 4.13Å; P192-Y198 HydrophobicContact CB-CE2 4Å; P192-W215 HydrophobicContact CB-CH2 3.87Å; P192-W215 HydrophobicContact CB-CZ3 3.74Å; P192-W215 HydrophobicContact CG-CH2 3.9Å; P192-W215 HydrophobicContact CG-CZ3 3.9Å; P192-A217 HydrophobicContact CB-CB 3.73Å
193Q82.4Confident92.8Very high128 Ų12838.6 Ų38.660%0.59822%0.216SC*.PPolyproline II helixtrans-94.9147.3174.8-59.6-174.71.200110.9V191 G195 E196 A217V191-Q193 PolarHBondContact O-N 2.91Å; Q193-G195 PolarHBondContact O-N 2.93Å; Q193-E196 HydrophobicContact CB-CG 4.02Å; Q193-E196 PolarHBondContact N-OE2 3.38Å; Q193-E196 VanDerWaalsContact O-CB 3.31Å; Q193-E196 WeakPolarHBondContact O-CB 3.48Å; Q193-E196 VanDerWaalsContact O-CG 3.3Å; Q193-E196 WeakPolarHBondContact O-CG 3.47Å; Q193-E196 PolarHBondContact O-N 2.03Å; Q193-E196 VanDerWaalsContact O-N 3.09Å; Q193-A217 WeakPolarHBondContact O-CB 3.29Å
194S82Confident92.8Very high86 Ų8635.7 Ų35.760%0.60120%0.203SC*.THydrogen-bonded Turntrans-55.3128.3-179.1175.60000111.6
195G84Confident92.8Very high43 Ų4338.4 Ų38.444%0.44322%0.221SC..THydrogen-bonded Turntrans94.6-14.4179.300000114.4Q193 A217Q193-G195 PolarHBondContact O-N 2.93Å; G195-A217 PolarHBondContact N-O 2.94Å
196E90.5Very high92.8Very high19 Ų1937.1 Ų37.19%0.08922%0.215CC..  trans-68.5144.5173.9-63.3-170130.100112.2R160 Q193 Y198 A217R160-E196 IonicContact CZ-OE1 2.85Å; R160-E196 IonicContact CZ-OE2 3.17Å; R160-E196 IonicContact NE-OE1 2.92Å; R160-E196 PolarHBondContact NE-OE1 2.98Å; R160-E196 IonicContact NE-OE2 3.76Å; R160-E196 IonicContact NH2-OE1 2.63Å; R160-E196 PolarHBondContact NH2-OE1 3.33Å; R160-E196 IonicContact NH2-OE2 3.4Å; R160-E196 PolarHBondContact NH2-OE2 3.1Å; Q193-E196 HydrophobicContact CB-CG 4.02Å; Q193-E196 PolarHBondContact N-OE2 3.38Å; Q193-E196 VanDerWaalsContact O-CB 3.31Å; Q193-E196 WeakPolarHBondContact O-CB 3.48Å; Q193-E196 VanDerWaalsContact O-CG 3.3Å; Q193-E196 WeakPolarHBondContact O-CG 3.47Å; Q193-E196 PolarHBondContact O-N 2.03Å; Q193-E196 VanDerWaalsContact O-N 3.09Å; E196-Y198 HydrophobicContact CB-CD2 4.41Å; E196-Y198 HydrophobicContact CB-CE2 3.72Å; E196-Y198 PolarHBondContact OE2-OH 3.19Å; E196-A217 PolarHBondContact O-N 3.15Å
197V93.8Very high92.8Very high42 Ų4238 Ų3826%0.25522%0.22SC..EExtended strand (participates in β ladder)trans-119.3120.3177.1-177.40000108.9N161 K214 K216N161-V197 PolarHBondContact N-O 3.35Å; N161-V197 PolarHBondContact OD1-N 2.83Å; V197-K214 HydrophobicContact CG1-CB 4.29Å; V197-K214 HydrophobicContact CG1-CD 4.37Å; V197-K216 HydrophobicContact CG2-CD 4.41Å; V197-K216 HydrophobicContact CG2-CG 4.2Å
198Y95.3Very high92.8Very high0 Ų042.8 Ų42.80%025%0.251CS..EExtended strand (participates in β ladder)trans-101.8140.2174-64.7-95.2000108.7L142 F159 R160 L188 T190 P192 E196 K214 W215L142-Y198 VanDerWaalsContact CD2-CB 3.43Å; L142-Y198 HydrophobicContact CD2-CD1 4.21Å; L142-Y198 HydrophobicContact CD2-CD2 4.45Å; L142-Y198 HydrophobicContact CD2-CG 3.79Å; F159-Y198 CarbonylContact O-C 3.5Å; F159-Y198 WeakPolarHBondContact O-CA 3.44Å; R160-Y198 HydrophobicContact CB-CD1 4.32Å; R160-Y198 HydrophobicContact CB-CE1 4.22Å; R160-Y198 HydrophobicContact CG-CD1 4.31Å; R160-Y198 HydrophobicContact CG-CE1 3.84Å; R160-Y198 PolarHBondContact NE-OH 3.04Å; L188-Y198 HydrophobicContact CD2-CD1 3.69Å; L188-Y198 HydrophobicContact CD2-CE1 3.91Å; T190-Y198 HydrophobicContact CG2-CE1 3.86Å; T190-Y198 PolarHBondContact OG1-OH 2.75Å; T190-Y198 VanDerWaalsContact OG1-OH 3.1Å; P192-Y198 HydrophobicContact CB-CE2 4Å; E196-Y198 HydrophobicContact CB-CD2 4.41Å; E196-Y198 HydrophobicContact CB-CE2 3.72Å; E196-Y198 PolarHBondContact OE2-OH 3.19Å; Y198-K214 CarbonylContact O-C 3.6Å; Y198-K214 WeakPolarHBondContact O-CA 3.34Å; Y198-W215 AromaticContact CD2-CE3 3.8Å; Y198-W215 HydrophobicContact CD2-CE3 3.8Å; Y198-W215 AromaticContact CD2-CZ3 3.89Å; Y198-W215 HydrophobicContact CD2-CZ3 3.89Å; Y198-W215 HydrophobicContact CE2-CZ3 4.27Å; Y198-W215 HydrophobicContact CG-CE3 4.4Å; Y198-W215 PolarHBondContact N-O 2.83Å; Y198-W215 PolarHBondContact O-N 2.84Å
199T97.8Very high92.9Very high17 Ų1748.4 Ų48.410%0.10428%0.281CS..EExtended strand (participates in β ladder)trans-131.5125.5179.8-50.50000109.3W158 F159 T212 V213 K214W158-T199 CarbonylContact C-O 3.58Å; F159-T199 PolarHBondContact N-O 2.92Å; F159-T199 PolarHBondContact O-N 3.07Å; T199-T212 HydrophobicContact CG2-CG2 4.35Å; T199-V213 WeakPolarHBondContact CA-O 3.25Å; T199-K214 HydrophobicContact CG2-CG 4.04Å
200C98.1Very high93.2Very high0 Ų047 Ų470%028%0.28CS..EExtended strand (participates in β ladder)trans-92122.8165-177.80000108.3V128 C144 V156 W158 T212 V213V128-C200 HydrophobicContact CG2-CB 3.61Å; C144-C200 HydrophobicContact CB-CB 3.62Å; C144-C200 WeakPolarHBondContact CB-SG 3.31Å; C144-C200 WeakPolarHBondContact SG-CB 3.08Å; C144-C200 CovalentContact SG-SG 2.02Å; C144-C200 PolarHBondContact SG-SG 3.02Å; V156-C200 VanDerWaalsContact CG1-SG 3.56Å; W158-C200 HydrophobicContact CE3-CB 4.27Å; W158-C200 HydrophobicContact CH2-CB 4.05Å; W158-C200 HydrophobicContact CZ2-CB 4.4Å; W158-C200 HydrophobicContact CZ3-CB 3.98Å; C200-T212 CarbonylContact O-C 3.54Å; C200-T212 WeakPolarHBondContact O-CA 3.27Å; C200-V213 PolarHBondContact N-O 2.78Å; C200-V213 PolarHBondContact O-N 2.77Å
201Q98.5Very high93.7Very high37 Ų3748.4 Ų48.417%0.17329%0.288CS..EExtended strand (participates in β ladder)trans-109131.6174.8-179.9174.565.900109V156 R157 F159 P210 V211 T212V156-Q201 CarbonylContact C-O 3.54Å; V156-Q201 WeakPolarHBondContact CA-O 3.4Å; R157-Q201 PolarHBondContact N-O 2.79Å; R157-Q201 PolarHBondContact O-N 3Å; F159-Q201 HydrophobicContact CD2-CB 4.18Å; F159-Q201 HydrophobicContact CE2-CB 3.77Å; F159-Q201 HydrophobicContact CE2-CG 4.47Å; F159-Q201 VanDerWaalsContact CE2-OE1 3.32Å; Q201-P210 HydrophobicContact CG-CB 3.83Å; Q201-V211 CarbonylContact C-O 3.59Å; Q201-V211 VanDerWaalsContact CA-O 3.31Å; Q201-V211 WeakPolarHBondContact CA-O 3.22Å; Q201-T212 HydrophobicContact CB-CG2 4.15Å; Q201-T212 HydrophobicContact CG-CG2 3.99Å
202V98.6Very high94.3Very high0 Ų048.4 Ų48.40%029%0.288CS..EExtended strand (participates in β ladder)trans-123122.8-178.7-1790000109.2P124 V126 V146 I154 E155 V156 P210 V211P124-V202 HydrophobicContact CG-CG1 4Å; V126-V202 HydrophobicContact CG1-CG2 3.92Å; V126-V202 HydrophobicContact CG2-CB 4.1Å; V126-V202 HydrophobicContact CG2-CG1 4.44Å; V126-V202 HydrophobicContact CG2-CG2 3.72Å; V146-V202 HydrophobicContact CG1-CG1 4.11Å; V146-V202 HydrophobicContact CG1-CG2 4.46Å; V146-V202 HydrophobicContact CG2-CG2 3.85Å; I154-V202 HydrophobicContact CD1-CG1 3.73Å; I154-V202 HydrophobicContact CG1-CG1 3.95Å; E155-V202 WeakPolarHBondContact O-CA 3.41Å; V156-V202 HydrophobicContact CG1-CG2 4.27Å; V156-V202 HydrophobicContact CG2-CG1 4.46Å; V156-V202 HydrophobicContact CG2-CG2 4.25Å; V202-P210 CarbonylContact O-C 3.6Å; V202-P210 WeakPolarHBondContact O-CA 3.45Å; V202-V211 PolarHBondContact N-O 2.97Å; V202-V211 PolarHBondContact O-N 3.46Å
203E98.5Very high95Very high64 Ų6449.1 Ų49.130%0.29929%0.292SS..EExtended strand (participates in β ladder)trans-108.5129.6171.2-61.1-177.5-159.700108.7E155 R157 P210E155-E203 HydrophobicContact CB-CB 4.28Å; E155-E203 PolarHBondContact N-O 2.83Å; E155-E203 PolarHBondContact O-N 2.91Å; R157-E203 IonicContact CZ-OE1 3.98Å; R157-E203 IonicContact NH1-OE1 2.84Å; R157-E203 PolarHBondContact NH1-OE1 2.77Å; R157-E203 VanDerWaalsContact NH2-CD 3.3Å; R157-E203 IonicContact NH2-OE1 3.15Å; R157-E203 PolarHBondContact NH2-OE1 3.48Å; R157-E203 IonicContact NH2-OE2 3.21Å; R157-E203 PolarHBondContact NH2-OE2 2.95Å; E203-P210 HydrophobicContact CG-CB 3.89Å; E203-P210 HydrophobicContact CG-CG 3.91Å
204H98.5Very high95.7Very high10 Ų1050.3 Ų50.35%0.04630%0.295CS..  trans-152142.6-177.8-179.9-105.9000109.8V122 P124 F149 Y150 P151 N153 I154 S206 L207V122-H204 PolarHBondContact O-CE1 2.91Å; V122-H204 VanDerWaalsContact O-CE1 3.23Å; P124-H204 HydrophobicContact CG-CB 4.33Å; F149-H204 AromaticContact CD2-CD2 3.96Å; F149-H204 AromaticContact CD2-NE2 3.8Å; Y150-H204 VanDerWaalsContact C-CE1 3.47Å; Y150-H204 PolarHBondContact O-CE1 2.97Å; P151-H204 PolarHBondContact O-NE2 2.97Å; N153-H204 PolarHBondContact O-CD2 3.49Å; N153-H204 VanDerWaalsContact O-CD2 3.31Å; I154-H204 HydrophobicContact CD1-CB 4.46Å; I154-H204 HydrophobicContact CG1-CB 4.26Å; H204-S206 PolarHBondContact CE1-OG 3.32Å; H204-S206 VanDerWaalsContact ND1-CB 3.33Å; H204-S206 WeakPolarHBondContact ND1-CB 3.43Å; H204-S206 PolarHBondContact ND1-N 2.72Å; H204-S206 PolarHBondContact ND1-OG 3.3Å; H204-S206 PolarHBondContact O-N 2.89Å; H204-L207 HydrophobicContact CB-CD1 4.03Å; H204-L207 HydrophobicContact CB-CG 4.36Å; H204-L207 WeakPolarHBondContact O-CB 3.29Å; H204-L207 PolarHBondContact O-N 3.1Å
205P97.3Very high96.2Very high64 Ų6448.7 Ų48.742%0.41628%0.276SS..THydrogen-bonded Turntrans-63-9.2-175.8-23.732.9000116.4P151 N153 L207P151-P205 HydrophobicContact CG-CG 4.45Å; N153-P205 WeakPolarHBondContact ND2-CG 3.07Å; N153-P205 WeakPolarHBondContact O-CD 3.29Å; P205-L207 VanDerWaalsContact C-N 3.35Å
206S97.6Very high96.6Very high18 Ų1852.9 Ų52.913%0.12628%0.282CS..THydrogen-bonded Turntrans-82.5-1617272.90000113.1V122 E123 H204V122-S206 PolarHBondContact O-OG 2.95Å; E123-S206 VanDerWaalsContact CA-OG 3.23Å; E123-S206 WeakPolarHBondContact CA-OG 3.46Å; E123-S206 WeakPolarHBondContact CG-OG 3.49Å; H204-S206 PolarHBondContact CE1-OG 3.32Å; H204-S206 VanDerWaalsContact ND1-CB 3.33Å; H204-S206 WeakPolarHBondContact ND1-CB 3.43Å; H204-S206 PolarHBondContact ND1-N 2.72Å; H204-S206 PolarHBondContact ND1-OG 3.3Å; H204-S206 PolarHBondContact O-N 2.89Å
207L97.6Very high96.2Very high28 Ų2852.3 Ų52.315%0.14728%0.28CS..  trans-99.6136.2-173.9-62.5170000109.5E123 P124 H204 P205 D209 V211E123-L207 HydrophobicContact CB-CD2 4.11Å; E123-L207 HydrophobicContact CG-CD2 3.81Å; P124-L207 HydrophobicContact CG-CD1 3.95Å; H204-L207 HydrophobicContact CB-CD1 4.03Å; H204-L207 HydrophobicContact CB-CG 4.36Å; H204-L207 WeakPolarHBondContact O-CB 3.29Å; H204-L207 PolarHBondContact O-N 3.1Å; P205-L207 VanDerWaalsContact C-N 3.35Å; L207-D209 WeakPolarHBondContact CB-O 3.49Å; L207-V211 HydrophobicContact CD1-CB 4.21Å; L207-V211 HydrophobicContact CD1-CG2 3.67Å; L207-V211 HydrophobicContact CD2-CG2 3.79Å; L207-V211 HydrophobicContact CG-CG2 4.36Å
208T96.9Very high95.2Very high139 Ų13957 Ų5785%0.85330%0.299SS*.SBendtrans-71.7-39.9171.2-52.10000111.3
209D97.1Very high93.5Very high121 Ų12158.7 Ų58.765%0.64731%0.311SS*.SBendtrans-128.6151-179.7-65.4-70000110.3L207 V211L207-D209 WeakPolarHBondContact CB-O 3.49Å; D209-V211 PolarHBondContact O-N 3.15Å
210P97.3Very high91.6Very high58 Ų5861.4 Ų61.438%0.37733%0.328SS..  trans-60.3133.7178.4-20.631.4000112.3Q201 V202 E203Q201-P210 HydrophobicContact CG-CB 3.83Å; V202-P210 CarbonylContact O-C 3.6Å; V202-P210 WeakPolarHBondContact O-CA 3.45Å; E203-P210 HydrophobicContact CG-CB 3.89Å; E203-P210 HydrophobicContact CG-CG 3.91Å
211V97.8Very high89.6Confident46 Ų4663.8 Ų63.828%0.27935%0.345SS..EExtended strand (participates in β ladder)trans-79.6128.8173.6167.40000109.1V126 Q201 V202 L207 D209 V213V126-V211 HydrophobicContact CB-CG1 4.09Å; V126-V211 HydrophobicContact CG2-CB 4.45Å; V126-V211 HydrophobicContact CG2-CG1 3.8Å; Q201-V211 CarbonylContact C-O 3.59Å; Q201-V211 VanDerWaalsContact CA-O 3.31Å; Q201-V211 WeakPolarHBondContact CA-O 3.22Å; V202-V211 PolarHBondContact N-O 2.97Å; V202-V211 PolarHBondContact O-N 3.46Å; L207-V211 HydrophobicContact CD1-CB 4.21Å; L207-V211 HydrophobicContact CD1-CG2 3.67Å; L207-V211 HydrophobicContact CD2-CG2 3.79Å; L207-V211 HydrophobicContact CG-CG2 4.36Å; D209-V211 PolarHBondContact O-N 3.15Å; V211-V213 HydrophobicContact CG1-CG2 4.29Å
212T97.4Very high87.6Confident74 Ų7464.8 Ų64.845%0.45436%0.36SS..EExtended strand (participates in β ladder)trans-120.5122.5176.363.80000111.6T199 C200 Q201T199-T212 HydrophobicContact CG2-CG2 4.35Å; C200-T212 CarbonylContact O-C 3.54Å; C200-T212 WeakPolarHBondContact O-CA 3.27Å; Q201-T212 HydrophobicContact CB-CG2 4.15Å; Q201-T212 HydrophobicContact CG-CG2 3.99Å
213V97.8Very high85.7Confident38 Ų3869.9 Ų69.923%0.2338%0.383CS..EExtended strand (participates in β ladder)trans-112.6121.1175-179.40000109.2V126 V128 T199 C200 V211V126-V213 HydrophobicContact CB-CG2 3.8Å; V126-V213 HydrophobicContact CG1-CB 4.17Å; V126-V213 HydrophobicContact CG1-CG2 3.58Å; V128-V213 HydrophobicContact CB-CG1 3.95Å; V128-V213 HydrophobicContact CG2-CB 3.88Å; V128-V213 HydrophobicContact CG2-CG1 3.68Å; T199-V213 WeakPolarHBondContact CA-O 3.25Å; C200-V213 PolarHBondContact N-O 2.78Å; C200-V213 PolarHBondContact O-N 2.77Å; V211-V213 HydrophobicContact CG1-CG2 4.29Å
214K96.6Very high83.9Confident152 Ų15272 Ų7266%0.66140%0.396SS*.EExtended strand (participates in β ladder)trans-96.9138.1-178.6-61.9-176.2-179.5175.20110.8V197 Y198 T199V197-K214 HydrophobicContact CG1-CB 4.29Å; V197-K214 HydrophobicContact CG1-CD 4.37Å; Y198-K214 CarbonylContact O-C 3.6Å; Y198-K214 WeakPolarHBondContact O-CA 3.34Å; T199-K214 HydrophobicContact CG2-CG 4.04Å
215W94.1Very high82.3Confident53 Ų5378.6 Ų78.620%0.20143%0.425CS..EExtended strand (participates in β ladder)trans-126.3129.7171-177.892.5000109.5V128 P130 L142 P192 Y198 A217V128-W215 HydrophobicContact CB-CB 4.29Å; V128-W215 HydrophobicContact CG1-CB 3.5Å; V128-W215 HydrophobicContact CG1-CG 4.02Å; P130-W215 HydrophobicContact CB-CZ2 4.34Å; P130-W215 HydrophobicContact CG-CZ2 4.14Å; L142-W215 HydrophobicContact CD1-CB 4.45Å; L142-W215 HydrophobicContact CD1-CD2 3.6Å; L142-W215 HydrophobicContact CD1-CE3 3.84Å; L142-W215 HydrophobicContact CD1-CG 3.87Å; L142-W215 HydrophobicContact CD1-CZ2 4.41Å; L142-W215 HydrophobicContact CD1-CZ3 4.33Å; L142-W215 HydrophobicContact CD2-CB 4.43Å; L142-W215 HydrophobicContact CD2-CD2 4.33Å; L142-W215 HydrophobicContact CD2-CE3 3.96Å; P192-W215 HydrophobicContact CB-CH2 3.87Å; P192-W215 HydrophobicContact CB-CZ3 3.74Å; P192-W215 HydrophobicContact CG-CH2 3.9Å; P192-W215 HydrophobicContact CG-CZ3 3.9Å; Y198-W215 AromaticContact CD2-CE3 3.8Å; Y198-W215 HydrophobicContact CD2-CE3 3.8Å; Y198-W215 AromaticContact CD2-CZ3 3.89Å; Y198-W215 HydrophobicContact CD2-CZ3 3.89Å; Y198-W215 HydrophobicContact CE2-CZ3 4.27Å; Y198-W215 HydrophobicContact CG-CE3 4.4Å; Y198-W215 PolarHBondContact N-O 2.83Å; Y198-W215 PolarHBondContact O-N 2.84Å; W215-A217 HydrophobicContact CH2-CB 4.09Å; W215-A217 HydrophobicContact CZ3-CB 3.87Å
216K90.8Very high80.7Confident131 Ų13181.9 Ų81.957%0.5744%0.436SS*.EExtended strand (participates in β ladder)trans-110.6129.8-178.1-171.6173.2-176.1176.90110V197 Q218V197-K216 HydrophobicContact CG2-CD 4.41Å; V197-K216 HydrophobicContact CG2-CG 4.2Å; K216-Q218 PolarHBondContact O-N 2.85Å; K216-Q218 VanDerWaalsContact O-N 3.15Å
217A83.4Confident79.2Confident6 Ų687.1 Ų87.15%0.0546%0.463CS..  trans-65.6114173.900000109.9P192 Q193 G195 E196 W215P192-A217 HydrophobicContact CB-CB 3.73Å; Q193-A217 WeakPolarHBondContact O-CB 3.29Å; G195-A217 PolarHBondContact N-O 2.94Å; E196-A217 PolarHBondContact O-N 3.15Å; W215-A217 HydrophobicContact CH2-CB 4.09Å; W215-A217 HydrophobicContact CZ3-CB 3.87Å
218Q72.9Confident78.2Confident140 Ų14090 Ų9065%0.65449%0.485SS*.  trans-85.2141.6174.7-69.4-173.9-12.200110.4K216K216-Q218 PolarHBondContact O-N 2.85Å; K216-Q218 VanDerWaalsContact O-N 3.15Å
219S59.8Low77.2Confident36 Ų3685.6 Ų85.625%0.25247%0.467SS..  trans-77.2129.3172.2-177.50000110.4S221 A222 Q223S219-S221 PolarHBondContact O-N 2.68Å; S219-S221 VanDerWaalsContact OG-CB 3.3Å; S219-S221 WeakPolarHBondContact OG-CB 3.47Å; S219-S221 PolarHBondContact OG-N 3.32Å; S219-A222 WeakPolarHBondContact O-CB 3.25Å; S219-A222 PolarHBondContact O-N 3.38Å; S219-Q223 PolarHBondContact O-N 3.09Å
220T58Low76.5Confident75 Ų7583.9 Ų83.946%0.4646%0.461SS..Hα-helixtrans-56.2-31.116748.20000111.7P135 A222 N224P135-T220 HydrophobicContact CG-CG2 4.03Å; T220-A222 VanDerWaalsContact C-N 3.35Å; T220-A222 PolarHBondContact O-N 3.1Å; T220-N224 WeakPolarHBondContact O-CB 3.27Å; T220-N224 VanDerWaalsContact O-CG 3.28Å; T220-N224 PolarHBondContact O-N 2.94Å
221S55.7Low75.6Confident49 Ų4982.8 Ų82.834%0.34346%0.46SS..Hα-helixtrans-64.5-37.2173.7-169.90000112.2S219 K225S219-S221 PolarHBondContact O-N 2.68Å; S219-S221 VanDerWaalsContact OG-CB 3.3Å; S219-S221 WeakPolarHBondContact OG-CB 3.47Å; S219-S221 PolarHBondContact OG-N 3.32Å; S221-K225 WeakPolarHBondContact O-CB 3.47Å; S221-K225 WeakPolarHBondContact O-CD 3.22Å; S221-K225 WeakPolarHBondContact O-CG 3.49Å; S221-K225 PolarHBondContact O-N 2.93Å; S221-K225 VanDerWaalsContact OG-CE 3.29Å; S221-K225 WeakPolarHBondContact OG-CE 3.4Å; S221-K225 PolarHBondContact OG-NZ 3.47Å
222A55.2Low75Confident59 Ų5982.6 Ų82.649%0.48847%0.468SS..Hα-helixtrans-69.9-41.8179.400000111.8S219 T220 M226S219-A222 WeakPolarHBondContact O-CB 3.25Å; S219-A222 PolarHBondContact O-N 3.38Å; T220-A222 VanDerWaalsContact C-N 3.35Å; T220-A222 PolarHBondContact O-N 3.1Å; A222-M226 WeakPolarHBondContact O-CB 3.4Å; A222-M226 PolarHBondContact O-N 3.09Å
223Q59.2Low74.6Confident106 Ų10686 Ų8650%0.49548%0.476SS..Hα-helixtrans-63.4-44.8173.2-86.5180-28.500112S219 M226 L227S219-Q223 PolarHBondContact O-N 3.09Å; Q223-M226 PolarHBondContact O-N 3.18Å; Q223-L227 PolarHBondContact O-N 2.96Å
224N60.5Low74.2Confident108 Ų10887.8 Ų87.858%0.57849%0.487SS*.Hα-helixtrans-69.2-36.7180-71.2-10.1000112.7T220 L227 S228T220-N224 WeakPolarHBondContact O-CB 3.27Å; T220-N224 VanDerWaalsContact O-CG 3.28Å; T220-N224 PolarHBondContact O-N 2.94Å; N224-L227 PolarHBondContact O-N 3.31Å; N224-S228 WeakPolarHBondContact O-CB 3.3Å; N224-S228 PolarHBondContact O-N 3.03Å
225K66.5Low73.9Confident150 Ų15085.2 Ų85.265%0.65248%0.48SS*.Hα-helixtrans-66.9-38173.4-76.5171.2177.6172.10111.8S221 G229S221-K225 WeakPolarHBondContact O-CB 3.47Å; S221-K225 WeakPolarHBondContact O-CD 3.22Å; S221-K225 WeakPolarHBondContact O-CG 3.49Å; S221-K225 PolarHBondContact O-N 2.93Å; S221-K225 VanDerWaalsContact OG-CE 3.29Å; S221-K225 WeakPolarHBondContact OG-CE 3.4Å; S221-K225 PolarHBondContact OG-NZ 3.47Å; K225-G229 PolarHBondContact O-N 3.39Å
226M62.4Low73.7Confident132 Ų13284.2 Ų84.265%0.6549%0.486SS*.Hα-helixtrans-66.3-42.6174.7-161.818090.100111.3A222 Q223 G229 V230A222-M226 WeakPolarHBondContact O-CB 3.4Å; A222-M226 PolarHBondContact O-N 3.09Å; Q223-M226 PolarHBondContact O-N 3.18Å; M226-G229 PolarHBondContact O-N 3.29Å; M226-V230 WeakPolarHBondContact O-CG2 3.39Å; M226-V230 PolarHBondContact O-N 3.27Å
227L66.6Low73.9Confident129 Ų12982.6 Ų82.668%0.67548%0.483SS*.Hα-helixtrans-64.8-41.9177.6-129.985.2000112.4Q223 N224 G231Q223-L227 PolarHBondContact O-N 2.96Å; N224-L227 PolarHBondContact O-N 3.31Å; L227-G231 PolarHBondContact O-N 3.5Å
228S75.3Confident74.3Confident88 Ų8887.8 Ų87.862%0.61551%0.51SS*.Hα-helixtrans-66.2-39.6175.7-1790000111.8N224 G231 G232N224-S228 WeakPolarHBondContact O-CB 3.3Å; N224-S228 PolarHBondContact O-N 3.03Å; S228-G231 PolarHBondContact O-N 3.15Å; S228-G232 PolarHBondContact O-N 3.42Å
229G76.6Confident75.2Confident46 Ų4688.5 Ų88.547%0.47451%0.511SS..Hα-helixtrans-63.6-44.4175.500000113K225 M226 G232 F233K225-G229 PolarHBondContact O-N 3.39Å; M226-G229 PolarHBondContact O-N 3.29Å; G229-G232 PolarHBondContact O-N 2.91Å; G229-F233 WeakPolarHBondContact O-CB 3.4Å; G229-F233 PolarHBondContact O-N 2.81Å
230V82.6Confident76.8Confident85 Ų8591.9 Ų91.952%0.51553%0.526SS..Hα-helixtrans-64.8-43.2175.5173.50000110.9M226 G232 F233 V234M226-V230 WeakPolarHBondContact O-CG2 3.39Å; M226-V230 PolarHBondContact O-N 3.27Å; V230-G232 PolarHBondContact O-N 3.48Å; V230-F233 PolarHBondContact O-N 2.92Å; V230-V234 HydrophobicContact CG1-CG2 4.46Å; V230-V234 WeakPolarHBondContact O-CG2 3.46Å; V230-V234 PolarHBondContact O-N 3.13Å
231G79.1Confident78.4Confident35 Ų3590.3 Ų90.336%0.36152%0.524SS..Hα-helixtrans-59.3-44175.500000112.9L227 S228 L235L227-G231 PolarHBondContact O-N 3.5Å; S228-G231 PolarHBondContact O-N 3.15Å; G231-L235 WeakPolarHBondContact O-CG 3.41Å; G231-L235 PolarHBondContact O-N 3.08Å; G231-L235 VanDerWaalsContact O-N 3.09Å
232G85.3Confident80.1Confident43 Ų4390.3 Ų90.344%0.44353%0.527SS..Hα-helixtrans-65.2-39.1176.200000113.4S228 G229 V230 L235 G236S228-G232 PolarHBondContact O-N 3.42Å; G229-G232 PolarHBondContact O-N 2.91Å; V230-G232 PolarHBondContact O-N 3.48Å; G232-L235 PolarHBondContact O-N 3.38Å; G232-G236 PolarHBondContact O-N 2.84Å
233F87.4Confident81.8Confident144 Ų14489.3 Ų89.363%0.63252%0.523SS*.Hα-helixtrans-66.8-42.8178.3-169.9-101.4000112.3G229 V230 G236 L237G229-F233 WeakPolarHBondContact O-CB 3.4Å; G229-F233 PolarHBondContact O-N 2.81Å; V230-F233 PolarHBondContact O-N 2.92Å; F233-G236 PolarHBondContact O-N 3.45Å; F233-L237 HydrophobicContact CD1-CD1 3.85Å; F233-L237 HydrophobicContact CD1-CG 4.37Å; F233-L237 HydrophobicContact CE1-CD1 3.48Å; F233-L237 VanDerWaalsContact CE1-CD1 3.48Å; F233-L237 HydrophobicContact CE1-CG 4.1Å; F233-L237 HydrophobicContact CZ-CD1 4.18Å; F233-L237 HydrophobicContact CZ-CG 4.44Å; F233-L237 WeakPolarHBondContact O-CG 3.32Å; F233-L237 PolarHBondContact O-N 2.9Å
234V90.5Very high83.2Confident77 Ų7788.4 Ų88.447%0.46752%0.521SS..Hα-helixtrans-63.4-44.4176.1173.70000110.9V230 G236 L237 L238V230-V234 HydrophobicContact CG1-CG2 4.46Å; V230-V234 WeakPolarHBondContact O-CG2 3.46Å; V230-V234 PolarHBondContact O-N 3.13Å; V234-G236 VanDerWaalsContact C-N 3.34Å; V234-G236 PolarHBondContact O-N 2.92Å; V234-L237 PolarHBondContact O-N 2.86Å; V234-L238 HydrophobicContact CG1-CD1 4.34Å; V234-L238 WeakPolarHBondContact O-CG 3.36Å; V234-L238 PolarHBondContact O-N 3.01Å; V234-L238 VanDerWaalsContact O-N 3.07Å
235L90.8Very high84.5Confident98 Ų9889.4 Ų89.451%0.51352%0.52SS..Hα-helixtrans-60.7-43.6174.6-75.2166.5000111.6G231 G232 L237 L238 F239G231-L235 WeakPolarHBondContact O-CG 3.41Å; G231-L235 PolarHBondContact O-N 3.08Å; G231-L235 VanDerWaalsContact O-N 3.09Å; G232-L235 PolarHBondContact O-N 3.38Å; L235-L237 PolarHBondContact O-N 3.05Å; L235-L238 PolarHBondContact O-N 2.78Å; L235-F239 WeakPolarHBondContact O-CD2 3.36Å; L235-F239 PolarHBondContact O-N 2.98Å; L235-F239 VanDerWaalsContact O-N 3.07Å
236G90.1Very high85.4Confident32 Ų3287.4 Ų87.433%0.3352%0.516SS..Hα-helixtrans-59.6-43.5176.800000113.3G232 F233 V234 F239 L240G232-G236 PolarHBondContact O-N 2.84Å; F233-G236 PolarHBondContact O-N 3.45Å; V234-G236 VanDerWaalsContact C-N 3.34Å; V234-G236 PolarHBondContact O-N 2.92Å; G236-F239 PolarHBondContact O-N 3.44Å; G236-L240 WeakPolarHBondContact O-CB 3.29Å; G236-L240 PolarHBondContact O-N 3.43Å
237L93.9Very high86.6Confident96 Ų9687.4 Ų87.450%0.50351%0.509SS..Hα-helixtrans-64.9-37.5176.1-73.7176.5000112.7F233 V234 L235 L240 G241F233-L237 HydrophobicContact CD1-CD1 3.85Å; F233-L237 HydrophobicContact CD1-CG 4.37Å; F233-L237 HydrophobicContact CE1-CD1 3.48Å; F233-L237 VanDerWaalsContact CE1-CD1 3.48Å; F233-L237 HydrophobicContact CE1-CG 4.1Å; F233-L237 HydrophobicContact CZ-CD1 4.18Å; F233-L237 HydrophobicContact CZ-CG 4.44Å; F233-L237 WeakPolarHBondContact O-CG 3.32Å; F233-L237 PolarHBondContact O-N 2.9Å; V234-L237 PolarHBondContact O-N 2.86Å; L235-L237 PolarHBondContact O-N 3.05Å; L237-L240 PolarHBondContact O-N 2.96Å; L237-G241 PolarHBondContact O-N 3.06Å
238L92.6Very high87.3Confident115 Ų11586.7 Ų86.760%0.60250%0.501SS*.Hα-helixtrans-63.5-44.8175.7-72.3170.4000111.6V234 L235 G241 A242V234-L238 HydrophobicContact CG1-CD1 4.34Å; V234-L238 WeakPolarHBondContact O-CG 3.36Å; V234-L238 PolarHBondContact O-N 3.01Å; V234-L238 VanDerWaalsContact O-N 3.07Å; L235-L238 PolarHBondContact O-N 2.78Å; L238-G241 PolarHBondContact O-N 2.83Å; L238-A242 WeakPolarHBondContact O-CB 3.35Å; L238-A242 PolarHBondContact O-N 3.38Å
239F91.8Very high87.4Confident155 Ų15590.9 Ų90.968%0.6850%0.503SS*.Hα-helixtrans-66.2-40.4176.6-77.4-66.9000112.6L235 G236 A242 G243L235-F239 WeakPolarHBondContact O-CD2 3.36Å; L235-F239 PolarHBondContact O-N 2.98Å; L235-F239 VanDerWaalsContact O-N 3.07Å; G236-F239 PolarHBondContact O-N 3.44Å; F239-A242 PolarHBondContact O-N 3.48Å; F239-G243 PolarHBondContact O-N 3.06Å
240L92.4Very high87.2Confident108 Ų10894.6 Ų94.657%0.56551%0.512SS*.Hα-helixtrans-61.7-47174.1-87.9161.6000111.6G236 L237 A242 G243 L244G236-L240 WeakPolarHBondContact O-CB 3.29Å; G236-L240 PolarHBondContact O-N 3.43Å; L237-L240 PolarHBondContact O-N 2.96Å; L240-A242 PolarHBondContact O-N 2.83Å; L240-G243 PolarHBondContact O-N 3.35Å; L240-L244 WeakPolarHBondContact O-CB 3.22Å; L240-L244 WeakPolarHBondContact O-CD1 3.42Å; L240-L244 PolarHBondContact O-N 3.41Å
241G91.8Very high86.4Confident41 Ų4195.2 Ų95.242%0.42351%0.509SS..Hα-helixtrans-60.2-45.5177.200000112.5L237 L238 F245L237-G241 PolarHBondContact O-N 3.06Å; L238-G241 PolarHBondContact O-N 2.83Å; G241-F245 WeakPolarHBondContact O-CB 3.43Å; G241-F245 PolarHBondContact O-N 3.29Å
242A91.7Very high85.4Confident50 Ų50102.3 Ų102.341%0.41353%0.53SS..Hα-helixtrans-63.7-42.8175.700000112.2L238 F239 L240 F245 I246L238-A242 WeakPolarHBondContact O-CB 3.35Å; L238-A242 PolarHBondContact O-N 3.38Å; F239-A242 PolarHBondContact O-N 3.48Å; L240-A242 PolarHBondContact O-N 2.83Å; A242-F245 PolarHBondContact O-N 2.86Å; A242-I246 WeakPolarHBondContact O-CG1 3.36Å; A242-I246 PolarHBondContact O-N 3.39Å
243G90Very high84Confident38 Ų38103.4 Ų103.439%0.39254%0.541SS..Hα-helixtrans-62.2-46.817700000112.6F239 L240 F245 I246 Y247F239-G243 PolarHBondContact O-N 3.06Å; L240-G243 PolarHBondContact O-N 3.35Å; G243-F245 VanDerWaalsContact C-N 3.35Å; G243-F245 PolarHBondContact O-N 2.88Å; G243-I246 PolarHBondContact O-N 3.47Å; G243-Y247 VanDerWaalsContact O-CB 3.29Å; G243-Y247 WeakPolarHBondContact O-CB 3.36Å; G243-Y247 PolarHBondContact O-N 3.44Å
244L90.3Very high82.2Confident87 Ų87105 Ų10546%0.45555%0.551SS.*Hα-helixtrans-60.9-42.5174.1-92.7138.6000111.6L240 Y247 F248L240-L244 WeakPolarHBondContact O-CB 3.22Å; L240-L244 WeakPolarHBondContact O-CD1 3.42Å; L240-L244 PolarHBondContact O-N 3.41Å; L244-Y247 PolarHBondContact O-N 2.95Å; L244-F248 HydrophobicContact CD2-CD2 4.19Å; L244-F248 HydrophobicContact CD2-CE2 3.45Å; L244-F248 VanDerWaalsContact CD2-CE2 3.45Å; L244-F248 HydrophobicContact CD2-CZ 4.18Å; L244-F248 WeakPolarHBondContact O-CD2 3.4Å; L244-F248 PolarHBondContact O-N 3.45Å
245F86.6Confident80.2Confident128 Ų128106.8 Ų106.856%0.56157%0.567SS**Hα-helixtrans-62.3-44.4177.4-177.9-98.7000112.5G241 A242 G243 R249G241-F245 WeakPolarHBondContact O-CB 3.43Å; G241-F245 PolarHBondContact O-N 3.29Å; A242-F245 PolarHBondContact O-N 2.86Å; G243-F245 VanDerWaalsContact C-N 3.35Å; G243-F245 PolarHBondContact O-N 2.88Å; F245-R249 HydrophobicContact CE1-CG 4.36Å; F245-R249 HydrophobicContact CZ-CG 4.43Å; F245-R249 WeakPolarHBondContact O-CB 3.27Å; F245-R249 PolarHBondContact O-N 3.26Å
246I86.8Confident78.3Confident109 Ų109105 Ų10556%0.55957%0.572SS**Hα-helixtrans-65.1-45.3175.9-67.2168.7000110.4A242 G243 F248 R249 N250A242-I246 WeakPolarHBondContact O-CG1 3.36Å; A242-I246 PolarHBondContact O-N 3.39Å; G243-I246 PolarHBondContact O-N 3.47Å; I246-F248 PolarHBondContact O-N 3.23Å; I246-R249 PolarHBondContact O-N 3.48Å; I246-N250 PolarHBondContact O-N 3Å
247Y87.4Confident76.2Confident132 Ų132111.8 Ų111.852%0.51860%0.6SS.*Hα-helixtrans-57.3-48.6178.3177.3-97.7000112.1G243 L244 R249 N250 Q251G243-Y247 VanDerWaalsContact O-CB 3.29Å; G243-Y247 WeakPolarHBondContact O-CB 3.36Å; G243-Y247 PolarHBondContact O-N 3.44Å; L244-Y247 PolarHBondContact O-N 2.95Å; Y247-R249 PolarHBondContact O-N 2.62Å; Y247-N250 PolarHBondContact O-N 3.15Å; Y247-Q251 HydrophobicContact CE1-CG 4.37Å; Y247-Q251 PolarHBondContact O-N 3.42Å; Y247-Q251 PolarHBondContact OH-NE2 3.49Å; Y247-Q251 VanDerWaalsContact OH-NE2 3.11Å
248F80.1Confident73.8Confident113 Ų113116.1 Ų116.150%0.49662%0.617SS.*Hα-helixtrans-68.4-32.8177.9-76.8-59.1000113.3L244 I246 N250 K252L244-F248 HydrophobicContact CD2-CD2 4.19Å; L244-F248 HydrophobicContact CD2-CE2 3.45Å; L244-F248 VanDerWaalsContact CD2-CE2 3.45Å; L244-F248 HydrophobicContact CD2-CZ 4.18Å; L244-F248 WeakPolarHBondContact O-CD2 3.4Å; L244-F248 PolarHBondContact O-N 3.45Å; I246-F248 PolarHBondContact O-N 3.23Å; F248-N250 VanDerWaalsContact C-N 3.33Å; F248-K252 PolarHBondContact O-N 3.3Å
249R78.7Confident71.6Confident177 Ų177116.1 Ų116.167%0.66863%0.625SS**Hα-helixtrans-64.5-38.1170.8-88.7-173.766.7155.1-1.1112.1F245 I246 Y247 K252 G253F245-R249 HydrophobicContact CE1-CG 4.36Å; F245-R249 HydrophobicContact CZ-CG 4.43Å; F245-R249 WeakPolarHBondContact O-CB 3.27Å; F245-R249 PolarHBondContact O-N 3.26Å; I246-R249 PolarHBondContact O-N 3.48Å; Y247-R249 PolarHBondContact O-N 2.62Å; R249-K252 PolarHBondContact O-N 2.93Å; R249-G253 PolarHBondContact O-N 3.05Å
250N71.3Confident69.3Low124 Ų124116.1 Ų116.166%0.66364%0.637SS**Hα-helixtrans-71.4-37.6179.8-121.712000112.3I246 Y247 F248 K252 G253I246-N250 PolarHBondContact O-N 3Å; Y247-N250 PolarHBondContact O-N 3.15Å; F248-N250 VanDerWaalsContact C-N 3.33Å; N250-K252 VanDerWaalsContact C-N 3.3Å; N250-K252 PolarHBondContact O-N 3.3Å; N250-G253 PolarHBondContact O-N 3.36Å
251Q67.1Low66.7Low97 Ų97114.3 Ų114.345%0.45365%0.645SS.*Hα-helixtrans-63.7-34.8173.5-79.5-162.1-2600112.8Y247 G253 Q254Y247-Q251 HydrophobicContact CE1-CG 4.37Å; Y247-Q251 PolarHBondContact O-N 3.42Å; Y247-Q251 PolarHBondContact OH-NE2 3.49Å; Y247-Q251 VanDerWaalsContact OH-NE2 3.11Å; Q251-G253 PolarHBondContact O-N 3.07Å; Q251-Q254 PolarHBondContact O-N 3.21Å
252K57.9Low64.4Low185 Ų185119.6 Ų119.680%0.80466%0.663SS**THydrogen-bonded Turntrans-69.9-14.1173.7-75.3-175.7177.5-177.40113.9F248 R249 N250F248-K252 PolarHBondContact O-N 3.3Å; R249-K252 PolarHBondContact O-N 2.93Å; N250-K252 VanDerWaalsContact C-N 3.3Å; N250-K252 PolarHBondContact O-N 3.3Å
253G54.9Low61.9Low65 Ų65124.6 Ų124.667%0.6768%0.682SS**THydrogen-bonded Turntrans-88.7-13.1176.900000115.2R249 N250 Q251R249-G253 PolarHBondContact O-N 3.05Å; N250-G253 PolarHBondContact O-N 3.36Å; Q251-G253 PolarHBondContact O-N 3.07Å
254Q49.9Very low59.7Low178 Ų178131.7 Ų131.783%0.83273%0.725SS**SBendtrans-101.51.7-176.9-86.1-175.3-20.200114.8Q251Q251-Q254 PolarHBondContact O-N 3.21Å
255S48.6Very low58.2Low114 Ų114133.9 Ų133.980%0.79774%0.739SS**SBendtrans-100.528.9-177.5-48.50000114.8
256G51.3Low56.7Low61 Ų61134.2 Ų134.263%0.62975%0.748SS**  trans-154.279.3-178.900000114.5
257L46.1Very low55Low174 Ų174135.6 Ų135.691%0.91176%0.758SS**  trans-175.5103.7146.6-104.8143.8000109.8
258Q42.4Very low53.1Low187 Ų187135.8 Ų135.887%0.87477%0.773SS**  trans-123118158.8-151.5-1725.200107.3
259P46.1Very low51.4Low116 Ų116137.3 Ų137.375%0.75379%0.79SS**  trans-85.1125.4171.117.7-4.2000109.6G261P259-G261 PolarHBondContact O-N 3.46Å
260T43.8Very low49.6Very low154 Ų154134.6 Ų134.695%0.94580%0.798SS**  trans-75.9112.1170.8-15.50000109.1
261G38.8Very low48Very low71 Ų71135.4 Ų135.473%0.73281%0.808SS**  trans-108140.8172.900000112.1P259P259-G261 PolarHBondContact O-N 3.46Å
262L42.7Very low46.6Very low151 Ų151138.3 Ų138.379%0.79184%0.835SS**  trans-46.5157.3177.8-95.4104.5000119.7
263L39Very low45.6Very low156 Ų156134.4 Ų134.482%0.81784%0.838SS**  trans66.9137149-60.3158.8000116.6
264S43.9Very low44.8Very low186 Ų186140.7 Ų140.7100%1.30185%0.853SS**  cis-151.5030.3-176.40000111.7

Retrieved 264 of 264 residues in 201.4 ms (Link to these results)

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