A0A5K4FC76_SCHMA Loading...

Coiled-coil domain-containing protein 130 homolog

AlphaFold DB , UniProt , Accession A0A5K4FC76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 376 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.2Low55.4Low240 Ų240150.5 Ų150.5100%1.18276%0.757SS**  0-3.10-68.8-168.2-171.100114.6
2L53.5Low54.5Low155 Ų155150 Ų15081%0.81276%0.756SS**  trans-90.9-11.4179.4-93.8135.2000115.6
3I59.5Low54.1Low149 Ų149152.2 Ų152.276%0.76476%0.762SS**Hα-helixtrans-88.5-18.5-170.5-64.7167.2000112.7
4S54.8Low53.7Low93 Ų93153.9 Ų153.965%0.6577%0.766SS**Hα-helixtrans-81.5-19-179.6-174.20000113.9
5W54.1Low53.1Low198 Ų198154.5 Ų154.575%0.7577%0.772SS**Hα-helixtrans-79.3-30.2-179.5-134.476000112.7H9W5-H9 AromaticContact CZ3-CD2 3.99Å
6L57.3Low52.4Low121 Ų121153.6 Ų153.663%0.63477%0.771SS**Hα-helixtrans-75.6-28.2-178.8-103.2136.8000113.8H9L6-H9 PolarHBondContact O-N 3.29Å
7L55.7Low52.2Low131 Ų131153.1 Ų153.169%0.68677%0.769SS**THydrogen-bonded Turntrans-80-17.4179.7-122.781.9000113.9
8K56Low51.6Low170 Ų170149.3 Ų149.374%0.73978%0.776SS**THydrogen-bonded Turntrans-84.5-18.1172.7-81.6-176.4174.9-176.90113.3
9H56.4Low51.1Low137 Ų137144.5 Ų144.563%0.63477%0.766SS**SBendtrans-85.6-10.3177.6-115.7-73.1000114.1W5 L6W5-H9 AromaticContact CZ3-CD2 3.99Å; L6-H9 PolarHBondContact O-N 3.29Å
10L55.2Low50.9Low141 Ų141141.8 Ų141.874%0.73877%0.765SS**SBendtrans-1031.9-177.6-104.2148.1000114.4
11V54.7Low50.9Low121 Ų121141 Ų14173%0.73376%0.759SS**SBendtrans-116.811.9-175.8-1770000112.5
12L45.3Very low50.7Low144 Ų144134.4 Ų134.475%0.75474%0.737SS**  trans-135.929.4-178.6-93.4164.2000114.6
13E48.9Very low50.6Low178 Ų178136.9 Ų136.983%0.83274%0.741SS**  trans-100.68.6170.7-131.6172.8-166.200113.9L15E13-L15 PolarHBondContact O-N 3.44Å
14E48.4Very low50.8Low176 Ų176134.5 Ų134.582%0.82274%0.744SS**  trans-83.5104.4153.4-66.7-166.5166.900107.4
15L45Very low51.1Low163 Ų163137.9 Ų137.985%0.85375%0.751SS**SBendtrans153.762.8155.3-80.3169.8000111.3E13E13-L15 PolarHBondContact O-N 3.44Å
16N41.9Very low52.1Low141 Ų141131.5 Ų131.575%0.75475%0.747SS**  trans-170.412.4142.9-131.6-13.7000118.4G18N16-G18 PolarHBondContact O-N 3.46Å; N16-G18 VanDerWaalsContact O-N 3.14Å
17I48.7Very low53.5Low144 Ų144133.1 Ų133.174%0.73875%0.751SS**THydrogen-bonded Turntrans-75.8-1.7-178.7-57.4170.7000112.2I21I17-I21 HydrophobicContact CG2-CD1 4.23Å
18G42.3Very low54.8Low86 Ų86136.8 Ų136.889%0.88776%0.756SS**THydrogen-bonded Turntrans-84.5-5.4-178.500000117.1N16N16-G18 PolarHBondContact O-N 3.46Å; N16-G18 VanDerWaalsContact O-N 3.14Å
19G41.2Very low56.2Low58 Ų58135.4 Ų135.460%0.59875%0.75SS**SBendtrans-109.2-17.1-167.700000117.9
20A47.7Very low57.6Low90 Ų90130.1 Ų130.174%0.74473%0.733SS**SBendtrans-120.35.6-164.200000116.3
21I49.4Very low59.1Low125 Ų125129.6 Ų129.664%0.64174%0.735SS**  trans-95.73.2-175.6-62.2171000113I17 K23I17-I21 HydrophobicContact CG2-CD1 4.23Å; I21-K23 PolarHBondContact O-N 3.24Å
22S48.5Very low60.7Low101 Ų101130.7 Ų130.771%0.70674%0.737SS**THydrogen-bonded Turntrans-77.9-16.3-177.3590000115.1
23K52.7Low62.6Low207 Ų207130.3 Ų130.390%0.973%0.729SS**THydrogen-bonded Turntrans-87.3-7.3-172.9-80.6-177.5177.3176.60116.4I21I21-K23 PolarHBondContact O-N 3.24Å
24A62.1Low64.5Low100 Ų100130.4 Ų130.483%0.82672%0.724SS**SBendtrans-112.11.9-17800000114.6
25M62.6Low66.5Low164 Ų164128 Ų12881%0.80871%0.708SS**  trans-96.9100.9-178.6-159.7109.884.400110.3
26G75.1Confident68.6Low64 Ų64121 Ų12166%0.6667%0.672SS**  trans-59.4155.5167.800000111.8R28G26-R28 PolarHBondContact O-N 3.31Å
27E85.8Confident70.9Confident155 Ų155120.3 Ų120.372%0.72468%0.675SS**  trans-57.4137.2178.8-172.2-178.8-178.800111.7K29 G30E27-K29 PolarHBondContact O-N 3.15Å; E27-K29 VanDerWaalsContact O-N 3.14Å; E27-G30 PolarHBondContact O-N 3.43Å
28R82.8Confident73Confident207 Ų207117.7 Ų117.778%0.78166%0.663SS**THydrogen-bonded Turntrans-55-35.2-178.1-172.4-170.767.887.5-13.1113.4G26G26-R28 PolarHBondContact O-N 3.31Å
29K86.5Confident75.2Confident141 Ų141114.8 Ų114.861%0.61363%0.626SS**THydrogen-bonded Turntrans-122.646.9178.9-72.5-178.2164.1-179.20110.6E27 T31E27-K29 PolarHBondContact O-N 3.15Å; E27-K29 VanDerWaalsContact O-N 3.14Å; K29-T31 PolarHBondContact O-N 3.43Å
30G84.2Confident77.5Confident27 Ų27116 Ų11628%0.27862%0.619SS.*  trans-51.5119.6172.900000110.7E27 N32E27-G30 PolarHBondContact O-N 3.43Å; G30-N32 VanDerWaalsContact C-N 3.34Å
31T87.9Confident79.5Confident129 Ų129115.8 Ų115.879%0.79161%0.61SS**SBendtrans-63-45179.647.80000110.4K29K29-T31 PolarHBondContact O-N 3.43Å
32N88Confident81.4Confident144 Ų144117 Ų11777%0.7762%0.617SS**  trans-109.9140.3178.5-62.4-24.2000109.9G30G30-N32 VanDerWaalsContact C-N 3.34Å
33K85.6Confident83.2Confident136 Ų136121.1 Ų121.159%0.59162%0.619SS**  trans-114140.9169.9-66.8144.7-170.9167.60106.7Y35K33-Y35 HydrophobicContact CB-CE2 4.3Å; K33-Y35 WeakPolarHBondContact O-CD2 3.45Å; K33-Y35 PolarHBondContact O-N 3.47Å
34Y87.9Confident84.8Confident181 Ų181113.9 Ų113.971%0.7159%0.588SS**PPolyproline II helixtrans-65.6122.5170.6176.8-104000108.8P36 P37Y34-P36 HydrophobicContact CE1-CB 3.91Å; Y34-P37 WeakPolarHBondContact OH-CD 3.31Å
35Y90.3Very high86Confident126 Ų126117.4 Ų117.449%0.49459%0.585SS.*PPolyproline II helixtrans-102.9125.4167.1-67.6-87.9000106.6K33 F39 L47K33-Y35 HydrophobicContact CB-CE2 4.3Å; K33-Y35 WeakPolarHBondContact O-CD2 3.45Å; K33-Y35 PolarHBondContact O-N 3.47Å; Y35-F39 AromaticContact CD1-CD1 3.53Å; Y35-F39 HydrophobicContact CD1-CD1 3.53Å; Y35-F39 AromaticContact CD1-CE1 3.56Å; Y35-F39 HydrophobicContact CD1-CE1 3.56Å; Y35-F39 HydrophobicContact CD1-CG 4.11Å; Y35-F39 HydrophobicContact CD1-CZ 4.16Å; Y35-F39 HydrophobicContact CE1-CD1 4.28Å; Y35-F39 AromaticContact CE1-CE1 3.84Å; Y35-F39 HydrophobicContact CE1-CE1 3.84Å; Y35-F39 HydrophobicContact CE1-CZ 4.21Å; Y35-F39 HydrophobicContact CG-CD1 4.27Å; Y35-L47 HydrophobicContact CD1-CD1 4.38Å; Y35-L47 HydrophobicContact CE1-CB 4.45Å
36P90Very high87.1Confident16 Ų16113.4 Ų113.410%0.10457%0.566CS.*PPolyproline II helixtrans-68.5152.118032-34.4000109.7Y34 D38 F39 Y50Y34-P36 HydrophobicContact CE1-CB 3.91Å; P36-D38 WeakPolarHBondContact CB-OD1 3.37Å; P36-D38 WeakPolarHBondContact CG-OD1 3.48Å; P36-D38 PolarHBondContact O-N 3.21Å; P36-D38 VanDerWaalsContact O-N 3.12Å; P36-F39 HydrophobicContact CG-CB 4.01Å; P36-F39 WeakPolarHBondContact O-CB 3.29Å; P36-F39 PolarHBondContact O-N 3.39Å; P36-Y50 HydrophobicContact CB-CE1 4.39Å; P36-Y50 HydrophobicContact CG-CD1 3.95Å; P36-Y50 HydrophobicContact CG-CD2 4.48Å; P36-Y50 HydrophobicContact CG-CE1 3.37Å; P36-Y50 HydrophobicContact CG-CE2 3.94Å; P36-Y50 HydrophobicContact CG-CG 4.49Å
37P90.2Very high87.5Confident125 Ų125112.1 Ų112.181%0.81254%0.544SS*.THydrogen-bonded Turntrans-64.9-18.1-169.125.1-35.2000114.2Y34Y34-P37 WeakPolarHBondContact OH-CD 3.31Å
38D91.9Very high87.5Confident89 Ų89107.6 Ų107.648%0.47653%0.525SS..THydrogen-bonded Turntrans-87.3-2.8173.861.4-32.5000113.4P36 D40 Y50P36-D38 WeakPolarHBondContact CB-OD1 3.37Å; P36-D38 WeakPolarHBondContact CG-OD1 3.48Å; P36-D38 PolarHBondContact O-N 3.21Å; P36-D38 VanDerWaalsContact O-N 3.12Å; D38-D40 PolarHBondContact O-N 2.67Å; D38-Y50 PolarHBondContact OD1-OH 3.03Å; D38-Y50 VanDerWaalsContact OD2-CE2 3.27Å; D38-Y50 WeakPolarHBondContact OD2-CE2 3.41Å; D38-Y50 PolarHBondContact OD2-OH 3.27Å
39F89.6Confident87.6Confident26 Ų26101 Ų10111%0.11451%0.511CS..  trans-76.7105.6178.9178.7-95.2000111.9Y35 P36 P41 H44 Y50Y35-F39 AromaticContact CD1-CD1 3.53Å; Y35-F39 HydrophobicContact CD1-CD1 3.53Å; Y35-F39 AromaticContact CD1-CE1 3.56Å; Y35-F39 HydrophobicContact CD1-CE1 3.56Å; Y35-F39 HydrophobicContact CD1-CG 4.11Å; Y35-F39 HydrophobicContact CD1-CZ 4.16Å; Y35-F39 HydrophobicContact CE1-CD1 4.28Å; Y35-F39 AromaticContact CE1-CE1 3.84Å; Y35-F39 HydrophobicContact CE1-CE1 3.84Å; Y35-F39 HydrophobicContact CE1-CZ 4.21Å; Y35-F39 HydrophobicContact CG-CD1 4.27Å; P36-F39 HydrophobicContact CG-CB 4.01Å; P36-F39 WeakPolarHBondContact O-CB 3.29Å; P36-F39 PolarHBondContact O-N 3.39Å; F39-P41 HydrophobicContact CD1-CG 4.41Å; F39-P41 HydrophobicContact CE1-CB 4.33Å; F39-P41 HydrophobicContact CE1-CG 3.98Å; F39-H44 HydrophobicContact CD2-CB 3.74Å; F39-H44 AromaticContact CD2-CD2 3.8Å; F39-H44 AromaticContact CD2-CG 4Å; F39-H44 HydrophobicContact CE2-CB 3.4Å; F39-H44 HydrophobicContact CZ-CB 4.25Å; F39-Y50 HydrophobicContact CB-CD2 4.46Å; F39-Y50 AromaticContact CD2-CD2 3.97Å; F39-Y50 HydrophobicContact CD2-CD2 3.97Å; F39-Y50 AromaticContact CD2-CG 3.99Å; F39-Y50 HydrophobicContact CD2-CG 3.99Å
40D89Confident87.6Confident84 Ų8497.3 Ų97.345%0.44949%0.494SS..  trans-92.4120.9165.4-71.7-27.3000112.4D38 N42 Y43 H44D38-D40 PolarHBondContact O-N 2.67Å; D40-N42 PolarHBondContact O-N 3.48Å; D40-Y43 HydrophobicContact CB-CD2 3.62Å; D40-Y43 HydrophobicContact CB-CG 4.44Å; D40-Y43 PolarHBondContact O-N 3.38Å; D40-H44 PolarHBondContact N-CD2 3.3Å; D40-H44 PolarHBondContact O-CD2 2.89Å; D40-H44 PolarHBondContact O-N 3.4Å
41P89.4Confident87.6Confident85 Ų85101.4 Ų101.455%0.55251%0.505SS*.Hα-helixtrans-58.8-32.6178.7-25.133.1000114.2F39 K45F39-P41 HydrophobicContact CD1-CG 4.41Å; F39-P41 HydrophobicContact CE1-CB 4.33Å; F39-P41 HydrophobicContact CE1-CG 3.98Å; P41-K45 WeakPolarHBondContact O-CA 3.39Å; P41-K45 PolarHBondContact O-N 2.88Å
42N89.4Confident87.4Confident150 Ų15098.7 Ų98.780%0.80250%0.503SS*.Hα-helixtrans-71-38.1-178.6-68.9-24.4000112.2D40D40-N42 PolarHBondContact O-N 3.48Å
43Y87.1Confident87.2Confident188 Ų18894.9 Ų94.974%0.73749%0.485SS*.Hα-helixtrans-84.3-50.1-179.5-67.1-73.3000111.7D40D40-Y43 HydrophobicContact CB-CD2 3.62Å; D40-Y43 HydrophobicContact CB-CG 4.44Å; D40-Y43 PolarHBondContact O-N 3.38Å
44H84.8Confident87.1Confident54 Ų5492.6 Ų92.625%0.2548%0.476CS..Hα-helixtrans-85.3-21.1-173.8-59.5-63.4000113.7F39 D40 N46 S49 Y50F39-H44 HydrophobicContact CD2-CB 3.74Å; F39-H44 AromaticContact CD2-CD2 3.8Å; F39-H44 AromaticContact CD2-CG 4Å; F39-H44 HydrophobicContact CE2-CB 3.4Å; F39-H44 HydrophobicContact CZ-CB 4.25Å; D40-H44 PolarHBondContact N-CD2 3.3Å; D40-H44 PolarHBondContact O-CD2 2.89Å; D40-H44 PolarHBondContact O-N 3.4Å; H44-N46 PolarHBondContact O-N 3.48Å; H44-S49 WeakPolarHBondContact O-CB 3.26Å; H44-Y50 AromaticContact CD2-CD2 3.79Å; H44-Y50 AromaticContact CE1-CD2 3.74Å; H44-Y50 AromaticContact CG-CD2 3.88Å; H44-Y50 AromaticContact ND1-CD2 3.85Å; H44-Y50 AromaticContact NE2-CD2 3.7Å
45K87Confident87Confident175 Ų17587.5 Ų87.576%0.76147%0.472SS*.SBendtrans62.7-47.2-176.4-55.6178.3-179.8178.70115.1P41P41-K45 WeakPolarHBondContact O-CA 3.39Å; P41-K45 PolarHBondContact O-N 2.88Å
46N85.9Confident86.8Confident79 Ų7984.7 Ų84.742%0.42246%0.464SS..SBendtrans-148.5155.8179.862.763.7000111.1H44 N48 S49 Y50H44-N46 PolarHBondContact O-N 3.48Å; N46-N48 PolarHBondContact O-N 3.24Å; N46-N48 WeakPolarHBondContact OD1-CB 3.5Å; N46-N48 PolarHBondContact OD1-N 3.25Å; N46-S49 WeakPolarHBondContact O-CB 3.5Å; N46-S49 PolarHBondContact O-N 3.27Å; N46-S49 VanDerWaalsContact O-N 3.16Å; N46-S49 VanDerWaalsContact OD1-CB 3.3Å; N46-S49 WeakPolarHBondContact OD1-CB 3.45Å; N46-S49 PolarHBondContact OD1-N 2.97Å; N46-Y50 PolarHBondContact O-N 2.65Å; N46-Y50 VanDerWaalsContact O-N 3.16Å
47L85.2Confident86.6Confident38 Ų3893.1 Ų93.120%0.19949%0.494CS..Hα-helixtrans-61.6-30.2-179-171.463.5000112.5Y35 S49 Y50 H51Y35-L47 HydrophobicContact CD1-CD1 4.38Å; Y35-L47 HydrophobicContact CE1-CB 4.45Å; L47-S49 PolarHBondContact O-N 3.16Å; L47-Y50 HydrophobicContact CD1-CD1 4.32Å; L47-Y50 WeakPolarHBondContact O-CB 3.37Å; L47-Y50 PolarHBondContact O-N 3.04Å; L47-H51 PolarHBondContact O-CD2 3.1Å; L47-H51 PolarHBondContact O-N 2.95Å; L47-H51 VanDerWaalsContact O-N 3.08Å
48N84.8Confident86.5Confident59 Ų5994.4 Ų94.432%0.31649%0.489SS..Hα-helixtrans-64.1-42.4177.5-66.4-25.1000111.2N46 H51 G52 T53N46-N48 PolarHBondContact O-N 3.24Å; N46-N48 WeakPolarHBondContact OD1-CB 3.5Å; N46-N48 PolarHBondContact OD1-N 3.25Å; N48-H51 CarbonylContact O-C 3.47Å; N48-H51 PolarHBondContact O-N 3.23Å; N48-G52 PolarHBondContact O-N 2.78Å; N48-T53 CarbonylContact C-O 3.53Å; N48-T53 WeakPolarHBondContact CA-OG1 3.47Å; N48-T53 WeakPolarHBondContact CB-O 3.35Å; N48-T53 PolarHBondContact O-N 3.34Å; N48-T53 PolarHBondContact O-OG1 3.49Å; N48-T53 VanDerWaalsContact O-OG1 3.09Å
49S84.7Confident86.4Confident70 Ų7097.6 Ų97.649%0.4950%0.495SS..Hα-helixtrans-68.7-36.6177.7-168.20000111.5H44 N46 L47 H51 G52H44-S49 WeakPolarHBondContact O-CB 3.26Å; N46-S49 WeakPolarHBondContact O-CB 3.5Å; N46-S49 PolarHBondContact O-N 3.27Å; N46-S49 VanDerWaalsContact O-N 3.16Å; N46-S49 VanDerWaalsContact OD1-CB 3.3Å; N46-S49 WeakPolarHBondContact OD1-CB 3.45Å; N46-S49 PolarHBondContact OD1-N 2.97Å; L47-S49 PolarHBondContact O-N 3.16Å; S49-H51 VanDerWaalsContact C-N 3.32Å; S49-H51 PolarHBondContact O-N 3.23Å; S49-G52 PolarHBondContact O-N 3.45Å; S49-G52 VanDerWaalsContact O-N 3.14Å
50Y85.9Confident86.4Confident63 Ų6396.7 Ų96.725%0.24749%0.492CS..Hα-helixtrans-58-45.3171.3174.4-89.5000111.3P36 D38 F39 H44 N46 L47 G52P36-Y50 HydrophobicContact CB-CE1 4.39Å; P36-Y50 HydrophobicContact CG-CD1 3.95Å; P36-Y50 HydrophobicContact CG-CD2 4.48Å; P36-Y50 HydrophobicContact CG-CE1 3.37Å; P36-Y50 HydrophobicContact CG-CE2 3.94Å; P36-Y50 HydrophobicContact CG-CG 4.49Å; D38-Y50 PolarHBondContact OD1-OH 3.03Å; D38-Y50 VanDerWaalsContact OD2-CE2 3.27Å; D38-Y50 WeakPolarHBondContact OD2-CE2 3.41Å; D38-Y50 PolarHBondContact OD2-OH 3.27Å; F39-Y50 HydrophobicContact CB-CD2 4.46Å; F39-Y50 AromaticContact CD2-CD2 3.97Å; F39-Y50 HydrophobicContact CD2-CD2 3.97Å; F39-Y50 AromaticContact CD2-CG 3.99Å; F39-Y50 HydrophobicContact CD2-CG 3.99Å; H44-Y50 AromaticContact CD2-CD2 3.79Å; H44-Y50 AromaticContact CE1-CD2 3.74Å; H44-Y50 AromaticContact CG-CD2 3.88Å; H44-Y50 AromaticContact ND1-CD2 3.85Å; H44-Y50 AromaticContact NE2-CD2 3.7Å; N46-Y50 PolarHBondContact O-N 2.65Å; N46-Y50 VanDerWaalsContact O-N 3.16Å; L47-Y50 HydrophobicContact CD1-CD1 4.32Å; L47-Y50 WeakPolarHBondContact O-CB 3.37Å; L47-Y50 PolarHBondContact O-N 3.04Å; Y50-G52 VanDerWaalsContact C-N 3.28Å; Y50-G52 PolarHBondContact O-N 3.09Å
51H85Confident86.4Confident112 Ų112101.8 Ų101.852%0.51951%0.505SS..THydrogen-bonded Turntrans-811.9176.6-64.8-60.2000114.8L47 N48 S49 T53L47-H51 PolarHBondContact O-CD2 3.1Å; L47-H51 PolarHBondContact O-N 2.95Å; L47-H51 VanDerWaalsContact O-N 3.08Å; N48-H51 CarbonylContact O-C 3.47Å; N48-H51 PolarHBondContact O-N 3.23Å; S49-H51 VanDerWaalsContact C-N 3.32Å; S49-H51 PolarHBondContact O-N 3.23Å; H51-T53 HydrophobicContact CB-CG2 4.11Å; H51-T53 PolarHBondContact O-N 2.95Å
52G83.3Confident86.4Confident72 Ų72100.8 Ų100.874%0.74249%0.492SS*.THydrogen-bonded Turntrans64.221.7-174.900000114.5N48 S49 Y50N48-G52 PolarHBondContact O-N 2.78Å; S49-G52 PolarHBondContact O-N 3.45Å; S49-G52 VanDerWaalsContact O-N 3.14Å; Y50-G52 VanDerWaalsContact C-N 3.28Å; Y50-G52 PolarHBondContact O-N 3.09Å
53T84.1Confident86.3Confident64 Ų6495.3 Ų95.339%0.39347%0.468SS..  trans-98.9139.3-179.160.60000111.7N48 H51N48-T53 CarbonylContact C-O 3.53Å; N48-T53 WeakPolarHBondContact CA-OG1 3.47Å; N48-T53 WeakPolarHBondContact CB-O 3.35Å; N48-T53 PolarHBondContact O-N 3.34Å; N48-T53 PolarHBondContact O-OG1 3.49Å; N48-T53 VanDerWaalsContact O-OG1 3.09Å; H51-T53 HydrophobicContact CB-CG2 4.11Å; H51-T53 PolarHBondContact O-N 2.95Å
54H83.3Confident86.4Confident89 Ų8990.6 Ų90.641%0.41248%0.477SS..  trans-76141.6171.9-171.6-93.2000110.5L56 R57H54-L56 WeakPolarHBondContact ND1-CB 3.35Å; H54-L56 PolarHBondContact ND1-N 3.08Å; H54-L56 PolarHBondContact O-N 3.19Å; H54-L56 VanDerWaalsContact O-N 3.17Å; H54-R57 WeakPolarHBondContact O-CA 3.48Å; H54-R57 PolarHBondContact O-N 3.39Å
55A85.9Confident86.6Confident74 Ų7494.3 Ų94.361%0.61249%0.494SS*.THydrogen-bonded Turntrans-56.7-35.2-179.900000113.3
56L86.4Confident86.8Confident66 Ų6688.2 Ų88.235%0.34648%0.481SS..THydrogen-bonded Turntrans-86.9-0.2175.6-58.9175000113.9H54 Q58 R59 I68H54-L56 WeakPolarHBondContact ND1-CB 3.35Å; H54-L56 PolarHBondContact ND1-N 3.08Å; H54-L56 PolarHBondContact O-N 3.19Å; H54-L56 VanDerWaalsContact O-N 3.17Å; L56-Q58 PolarHBondContact O-N 2.87Å; L56-R59 HydrophobicContact CB-CB 4.16Å; L56-R59 WeakPolarHBondContact O-CB 3.18Å; L56-R59 PolarHBondContact O-N 2.97Å; L56-I68 HydrophobicContact CD1-CD1 4.05Å; L56-I68 HydrophobicContact CD1-CG1 4.29Å; L56-I68 HydrophobicContact CD1-CG2 3.89Å
57R86.3Confident87.2Confident194 Ų19485.5 Ų85.573%0.73247%0.466SS*.G310 helixtrans45.8-127-176.5-57.5-179.1-176.5135-0.3111H54 R59 G60H54-R57 WeakPolarHBondContact O-CA 3.48Å; H54-R57 PolarHBondContact O-N 3.39Å; R57-R59 PolarHBondContact O-N 3.1Å; R57-R59 VanDerWaalsContact O-N 3.17Å; R57-G60 PolarHBondContact O-N 3.21Å
58Q86.6Confident87.7Confident151 Ų15186.8 Ų86.871%0.70647%0.473SS*.G310 helixtrans-54.1-33178.4-71.4-70.4-1.500114L56 G60 R61L56-Q58 PolarHBondContact O-N 2.87Å; Q58-G60 PolarHBondContact O-N 2.94Å; Q58-R61 WeakPolarHBondContact O-CB 2.87Å; Q58-R61 PolarHBondContact O-N 2.98Å
59R90.8Very high88.2Confident157 Ų15785.9 Ų85.959%0.59247%0.469SS*.G310 helixtrans-68.8-22.5178.2-69.9-176.4-83-130.30.7113.3L56 R57 T69L56-R59 HydrophobicContact CB-CB 4.16Å; L56-R59 WeakPolarHBondContact O-CB 3.18Å; L56-R59 PolarHBondContact O-N 2.97Å; R57-R59 PolarHBondContact O-N 3.1Å; R57-R59 VanDerWaalsContact O-N 3.17Å; R59-T69 WeakPolarHBondContact CD-O 3.36Å; R59-T69 WeakPolarHBondContact CG-O 3.48Å; R59-T69 PolarHBondContact O-N 3.5Å
60G88.6Confident88.7Confident6 Ų684.9 Ų84.96%0.06246%0.458CS..G310 helixtrans-99.612.4178.600000114R57 Q58 K62 A63R57-G60 PolarHBondContact O-N 3.21Å; Q58-G60 PolarHBondContact O-N 2.94Å; G60-K62 PolarHBondContact O-N 3.3Å; G60-K62 VanDerWaalsContact O-N 3.14Å; G60-A63 WeakPolarHBondContact O-CB 3.49Å; G60-A63 PolarHBondContact O-N 2.94Å
61R88.8Confident89.2Confident192 Ų19290.7 Ų90.773%0.72548%0.479SS*.THydrogen-bonded Turntrans-54.7-35.4-178.2-173.9178.567.6170.7-0.2112.7Q58Q58-R61 WeakPolarHBondContact O-CB 2.87Å; Q58-R61 PolarHBondContact O-N 2.98Å
62K89.9Confident89.7Confident64 Ų6486.2 Ų86.228%0.27846%0.458SS..THydrogen-bonded Turntrans-102.619.9177.3-62.5-179.8174.8176.10113.3G60 G64 Q65 I67 E96G60-K62 PolarHBondContact O-N 3.3Å; G60-K62 VanDerWaalsContact O-N 3.14Å; K62-G64 PolarHBondContact O-N 3.19Å; K62-Q65 WeakPolarHBondContact O-CB 3.42Å; K62-Q65 PolarHBondContact O-N 3.41Å; K62-I67 CarbonylContact C-O 3.57Å; K62-I67 HydrophobicContact CB-CB 3.92Å; K62-I67 HydrophobicContact CB-CG2 4.35Å; K62-I67 HydrophobicContact CD-CD1 4.49Å; K62-I67 HydrophobicContact CD-CG2 4.32Å; K62-I67 PolarHBondContact O-N 2.98Å; K62-E96 VanDerWaalsContact NZ-CD 3.31Å; K62-E96 IonicContact NZ-OE1 3.13Å; K62-E96 PolarHBondContact NZ-OE1 2.89Å; K62-E96 IonicContact NZ-OE2 3.33Å; K62-E96 PolarHBondContact NZ-OE2 3.13Å; K62-E96 VanDerWaalsContact NZ-OE2 3.13Å
63A88.1Confident90.3Very high35 Ų3587.3 Ų87.329%0.28944%0.444SS..G310 helixtrans-59.5-32-177.600000112.7G60 Q65 G66 I67G60-A63 WeakPolarHBondContact O-CB 3.49Å; G60-A63 PolarHBondContact O-N 2.94Å; A63-Q65 PolarHBondContact O-N 3.36Å; A63-G66 PolarHBondContact O-N 3.22Å; A63-I67 PolarHBondContact N-O 3.01Å
64G87.8Confident90.9Very high89 Ų8984.3 Ų84.392%0.91843%0.426SS*.G310 helixtrans-62.5-23.9174.200000114.3K62 G66K62-G64 PolarHBondContact O-N 3.19Å; G64-G66 VanDerWaalsContact C-N 3.32Å
65Q90.5Very high91.4Very high131 Ų13182.1 Ų82.161%0.61242%0.419SS*.G310 helixtrans-90.63.3174.3-61.5170.8-6.500112.2K62 A63 I67K62-Q65 WeakPolarHBondContact O-CB 3.42Å; K62-Q65 PolarHBondContact O-N 3.41Å; A63-Q65 PolarHBondContact O-N 3.36Å; Q65-I67 HydrophobicContact CB-CD1 4.13Å; Q65-I67 HydrophobicContact CB-CG1 4.23Å; Q65-I67 PolarHBondContact O-N 3.45Å
66G90.9Very high91.8Very high47 Ų4779.5 Ų79.549%0.48539%0.394SS..THydrogen-bonded Turntrans71.516.9-172.500000114A63 G64A63-G66 PolarHBondContact O-N 3.22Å; G64-G66 VanDerWaalsContact C-N 3.32Å
67I94.9Very high92.2Very high23 Ų2378.7 Ų78.712%0.11839%0.39CS..EExtended strand (participates in β ladder)trans-105.9125.5-178.3-58.5170.8000109.6K62 A63 Q65 E96 K97 K98K62-I67 CarbonylContact C-O 3.57Å; K62-I67 HydrophobicContact CB-CB 3.92Å; K62-I67 HydrophobicContact CB-CG2 4.35Å; K62-I67 HydrophobicContact CD-CD1 4.49Å; K62-I67 HydrophobicContact CD-CG2 4.32Å; K62-I67 PolarHBondContact O-N 2.98Å; A63-I67 PolarHBondContact N-O 3.01Å; Q65-I67 HydrophobicContact CB-CD1 4.13Å; Q65-I67 HydrophobicContact CB-CG1 4.23Å; Q65-I67 PolarHBondContact O-N 3.45Å; I67-E96 HydrophobicContact CG2-CB 3.64Å; I67-E96 HydrophobicContact CG2-CG 4.03Å; I67-K97 WeakPolarHBondContact CA-O 3.5Å; I67-K98 HydrophobicContact CG1-CB 4.37Å; I67-K98 HydrophobicContact CG1-CG 4.4Å
68I95Very high92.7Very high65 Ų6569.5 Ų69.533%0.33336%0.356SS..EExtended strand (participates in β ladder)trans-120.6132.3176.6-61.2172.6000109L56 I70 K97L56-I68 HydrophobicContact CD1-CD1 4.05Å; L56-I68 HydrophobicContact CD1-CG1 4.29Å; L56-I68 HydrophobicContact CD1-CG2 3.89Å; I68-I70 HydrophobicContact CG2-CG2 4.11Å; I68-I70 PolarHBondContact O-N 2.94Å; I68-K97 PolarHBondContact N-O 2.92Å; I68-K97 VanDerWaalsContact N-O 3.08Å; I68-K97 PolarHBondContact O-N 3.35Å
69T95.9Very high93.1Very high40 Ų4066 Ų6625%0.24534%0.336CS..EExtended strand (participates in β ladder)trans-78.6118.1172.8-49.30000110.1R59 N94 A95R59-T69 WeakPolarHBondContact CD-O 3.36Å; R59-T69 WeakPolarHBondContact CG-O 3.48Å; R59-T69 PolarHBondContact O-N 3.5Å; T69-N94 HydrophobicContact CG2-CB 4.12Å; T69-A95 CarbonylContact C-O 3.52Å; T69-A95 WeakPolarHBondContact CA-O 3.28Å
70I95.5Very high93.3Very high49 Ų4958.6 Ų58.625%0.25131%0.309SS..EExtended strand (participates in β ladder)trans-118.1158.4177.963.7159.8000110.8I68 F72 N94 A95 K97 F111I68-I70 HydrophobicContact CG2-CG2 4.11Å; I68-I70 PolarHBondContact O-N 2.94Å; I70-F72 HydrophobicContact CD1-CB 4.28Å; I70-F72 HydrophobicContact CD1-CD2 4.18Å; I70-F72 HydrophobicContact CG1-CB 4.46Å; I70-N94 CarbonylContact O-C 3.52Å; I70-N94 WeakPolarHBondContact O-CA 3.16Å; I70-A95 HydrophobicContact CG1-CB 4.37Å; I70-A95 PolarHBondContact N-O 3.41Å; I70-A95 PolarHBondContact O-N 2.9Å; I70-K97 HydrophobicContact CD1-CB 4.07Å; I70-K97 HydrophobicContact CD1-CD 4.23Å; I70-K97 HydrophobicContact CG1-CB 4.06Å; I70-K97 HydrophobicContact CG2-CB 4.27Å; I70-K97 HydrophobicContact CG2-CD 4.39Å; I70-F111 HydrophobicContact CD1-CD1 3.78Å; I70-F111 HydrophobicContact CD1-CE1 3.49Å; I70-F111 VanDerWaalsContact CD1-CE1 3.49Å
71R95.5Very high93.7Very high185 Ų18563 Ų6370%0.69833%0.33SS*.EExtended strand (participates in β ladder)trans-87.9109.7168.8-164.9170.8-170.21622.1108.1Y93R71-Y93 CarbonylContact C-O 3.6Å; R71-Y93 WeakPolarHBondContact CA-O 3.4Å
72F96Very high93.9Very high18 Ų1858.3 Ų58.38%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-111.5142-175.8-171.5-103.9000110I70 R92 Y93 A95 F111 M113 M124 Y133I70-F72 HydrophobicContact CD1-CB 4.28Å; I70-F72 HydrophobicContact CD1-CD2 4.18Å; I70-F72 HydrophobicContact CG1-CB 4.46Å; F72-R92 CarbonylContact O-C 3.52Å; F72-R92 WeakPolarHBondContact O-CA 3.27Å; F72-Y93 PolarHBondContact N-O 3.21Å; F72-Y93 PolarHBondContact O-N 3.02Å; F72-A95 HydrophobicContact CB-CB 3.63Å; F72-A95 HydrophobicContact CG-CB 4.36Å; F72-F111 HydrophobicContact CD2-CD1 4.11Å; F72-F111 HydrophobicContact CD2-CE1 4.2Å; F72-F111 HydrophobicContact CD2-CG 4.3Å; F72-F111 HydrophobicContact CD2-CZ 4.48Å; F72-F111 HydrophobicContact CE2-CD1 4.3Å; F72-F111 HydrophobicContact CE2-CD2 4.01Å; F72-F111 HydrophobicContact CE2-CE1 4.28Å; F72-F111 AromaticContact CE2-CE2 3.98Å; F72-F111 HydrophobicContact CE2-CE2 3.98Å; F72-F111 HydrophobicContact CE2-CG 4.17Å; F72-F111 HydrophobicContact CE2-CZ 4.11Å; F72-F111 HydrophobicContact CZ-CD2 4.09Å; F72-F111 HydrophobicContact CZ-CE2 4.38Å; F72-F111 HydrophobicContact CZ-CG 4.38Å; F72-M113 HydrophobicContact CD1-CE 4.43Å; F72-M113 HydrophobicContact CD1-SD 4.08Å; F72-M113 HydrophobicContact CE1-CE 4.38Å; F72-M124 HydrophobicContact CE1-SD 4.36Å; F72-Y133 HydrophobicContact CE2-CE1 4.05Å; F72-Y133 HydrophobicContact CZ-CD1 4.23Å; F72-Y133 AromaticContact CZ-CE1 3.86Å; F72-Y133 HydrophobicContact CZ-CE1 3.86Å
73E96.4Very high94.2Very high94 Ų9457 Ų5744%0.43932%0.321SS..EExtended strand (participates in β ladder)trans-108138.3176.7-72.5-176.7172.300109.6P75 V91 R92E73-P75 WeakPolarHBondContact O-CD 3.41Å; E73-V91 WeakPolarHBondContact CA-O 3.41Å; E73-R92 HydrophobicContact CG-CG 3.66Å; E73-R92 IonicContact OE1-CZ 2.67Å; E73-R92 IonicContact OE1-NE 3.84Å; E73-R92 PolarHBondContact OE1-NE 3.48Å; E73-R92 IonicContact OE1-NH2 3.91Å; E73-R92 PolarHBondContact OE1-NH2 3.34Å
74M95Very high94.4Very high2 Ų263.1 Ų63.11%0.0134%0.341CS..  trans-64120.7178.2-80.6-68.8-161.400111.4F76 I87 G90 V91 Y93 M113 I122 M124M74-F76 PolarHBondContact O-N 3.41Å; M74-I87 HydrophobicContact CE-CD1 3.98Å; M74-I87 HydrophobicContact CE-CG2 4.08Å; M74-I87 HydrophobicContact CG-CG2 3.8Å; M74-G90 PolarHBondContact O-N 3.35Å; M74-V91 HydrophobicContact CG-CB 4.35Å; M74-V91 PolarHBondContact N-O 3.42Å; M74-Y93 HydrophobicContact CE-CD2 4.15Å; M74-Y93 HydrophobicContact CE-CE2 3.61Å; M74-Y93 HydrophobicContact CG-CD2 3.96Å; M74-Y93 HydrophobicContact CG-CE2 3.61Å; M74-Y93 HydrophobicContact SD-CE2 4.37Å; M74-M113 HydrophobicContact CE-CE 3.23Å; M74-M113 HydrophobicContact CE-SD 3.69Å; M74-M113 HydrophobicContact SD-CE 3.43Å; M74-M113 WeakPolarHBondContact SD-CE 3.42Å; M74-M113 HydrophobicContact SD-SD 4.09Å; M74-I122 HydrophobicContact CE-CD1 3.78Å; M74-I122 HydrophobicContact CE-CG2 4.4Å; M74-M124 HydrophobicContact CE-CE 4Å; M74-M124 HydrophobicContact SD-CE 3.39Å; M74-M124 WeakPolarHBondContact SD-CE 3.29Å; M74-M124 HydrophobicContact SD-SD 4.15Å
75P95.3Very high94.7Very high43 Ų4362.1 Ų62.128%0.27932%0.315SS..SBendtrans-75.7-20.7-172.727.9-34.5000114.2E73 M124 Y133E73-P75 WeakPolarHBondContact O-CD 3.41Å; P75-M124 HydrophobicContact CG-SD 4.35Å; P75-Y133 HydrophobicContact CB-CD2 3.75Å; P75-Y133 HydrophobicContact CB-CE2 4.2Å; P75-Y133 HydrophobicContact CB-CG 4.47Å; P75-Y133 HydrophobicContact CG-CD2 3.79Å; P75-Y133 HydrophobicContact CG-CE2 4.5Å; P75-Y133 HydrophobicContact CG-CG 4Å
76F93.9Very high94.9Very high19 Ų1959.4 Ų59.48%0.08331%0.308CS..SBendtrans-154.1164179.550.7-100.6000110.6M74 C78 Y133 I135 R141M74-F76 PolarHBondContact O-N 3.41Å; F76-C78 HydrophobicContact CD2-CB 4.38Å; F76-C78 HydrophobicContact CE2-CB 4.29Å; F76-C78 PolarHBondContact O-N 3.35Å; F76-Y133 WeakPolarHBondContact CE1-O 3.4Å; F76-I135 HydrophobicContact CE2-CD1 3.5Å; F76-I135 HydrophobicContact CE2-CG1 4.15Å; F76-I135 HydrophobicContact CZ-CD1 3.74Å; F76-I135 HydrophobicContact CZ-CG1 3.87Å; F76-R141 HydrophobicContact CD2-CB 4.23Å; F76-R141 HydrophobicContact CD2-CG 3.64Å; F76-R141 VanDerWaalsContact CE1-NH1 3.31Å; F76-R141 HydrophobicContact CE2-CB 3.78Å; F76-R141 HydrophobicContact CE2-CG 3.65Å; F76-R141 HydrophobicContact CG-CG 4.43Å; F76-R141 HydrophobicContact CZ-CG 4.47Å
77N95.4Very high95.1Very high49 Ų4957.3 Ų57.326%0.26229%0.286SS..  trans-65128.1175.9-62.3-39.9000110.5I87 M89 K142N77-I87 WeakPolarHBondContact CA-O 3.44Å; N77-M89 PolarHBondContact OD1-N 2.97Å; N77-K142 HydrophobicContact CB-CB 3.92Å; N77-K142 HydrophobicContact CB-CD 4.09Å; N77-K142 VanDerWaalsContact O-CB 3.29Å; N77-K142 WeakPolarHBondContact O-CB 3.44Å; N77-K142 PolarHBondContact O-N 3.44Å
78C95.1Very high95.1Very high1 Ų157.7 Ų57.71%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-137.3163.4178.766.10000111.5F76 I87 I135 A139 R140F76-C78 HydrophobicContact CD2-CB 4.38Å; F76-C78 HydrophobicContact CE2-CB 4.29Å; F76-C78 PolarHBondContact O-N 3.35Å; C78-I87 PolarHBondContact N-O 3.43Å; C78-I87 PolarHBondContact O-N 3.23Å; C78-I135 HydrophobicContact CB-CD1 4.24Å; C78-A139 HydrophobicContact CB-CB 4.31Å; C78-R140 CarbonylContact C-O 3.57Å; C78-R140 VanDerWaalsContact CA-O 3.25Å; C78-R140 WeakPolarHBondContact CA-O 2.84Å; C78-R140 VanDerWaalsContact CB-O 3.3Å; C78-R140 WeakPolarHBondContact CB-O 3.36Å
79W95.4Very high95.1Very high77 Ų7761 Ų6129%0.29231%0.311SS..EExtended strand (participates in β ladder)trans-110.7131173-64.990.7000108.7K84 P86 A139 R140W79-K84 VanDerWaalsContact CE3-O 3.23Å; W79-K84 WeakPolarHBondContact CZ3-O 3.28Å; W79-P86 HydrophobicContact CD2-CB 4.3Å; W79-P86 HydrophobicContact CE3-CB 3.97Å; W79-P86 HydrophobicContact CH2-CB 4.16Å; W79-P86 HydrophobicContact CH2-CG 4.37Å; W79-P86 HydrophobicContact CZ2-CB 4.47Å; W79-P86 HydrophobicContact CZ3-CB 3.91Å; W79-P86 HydrophobicContact CZ3-CG 4.07Å; W79-A139 CarbonylContact O-C 3.59Å; W79-A139 WeakPolarHBondContact O-CA 3.47Å; W79-A139 WeakPolarHBondContact O-CB 3.45Å; W79-R140 HydrophobicContact CB-CG 3.71Å; W79-R140 HydrophobicContact CG-CG 4.4Å; W79-R140 PolarHBondContact N-O 3.33Å; W79-R140 PolarHBondContact O-N 2.88Å
80C96.5Very high95.1Very high2 Ų260.8 Ų60.81%0.01432%0.317CS..EExtended strand (participates in β ladder)trans-72134172.2-1780000110K84 N85 I87C80-K84 WeakPolarHBondContact O-CA 3.33Å; C80-K84 PolarHBondContact O-N 2.86Å; C80-N85 PolarHBondContact N-O 3.28Å; C80-N85 VanDerWaalsContact N-O 3.09Å; C80-I87 HydrophobicContact CB-CD1 4.32Å
81L95.2Very high95.1Very high98 Ų9860.6 Ų60.651%0.51332%0.318SS..THydrogen-bonded Turntrans-72.7-31.6179.9-65.9175000112.4G138 R140L81-G138 PolarHBondContact N-O 2.91Å; L81-R140 HydrophobicContact CD2-CB 4.32Å; L81-R140 HydrophobicContact CD2-CG 4.27Å
82T94.5Very high95.1Very high94 Ų9459 Ų5958%0.57731%0.312SS*.THydrogen-bonded Turntrans-74.9-53.2-176.8-480000112.6
83C94.6Very high95.1Very high35 Ų3558.8 Ų58.824%0.23631%0.311CS..THydrogen-bonded Turntrans-99.6-5.9-177.161.70000114.4N85 C118C83-N85 PolarHBondContact O-N 2.97Å; C83-C118 HydrophobicContact CB-CB 3.91Å; C83-C118 VanDerWaalsContact SG-SG 3.6Å
84K93.3Very high95Very high165 Ų16559.9 Ų59.972%0.71732%0.32SS*.  trans57.815.2-177.3-56.5178.9-177.6178.30114.9W79 C80W79-K84 VanDerWaalsContact CE3-O 3.23Å; W79-K84 WeakPolarHBondContact CZ3-O 3.28Å; C80-K84 WeakPolarHBondContact O-CA 3.33Å; C80-K84 PolarHBondContact O-N 2.86Å
85N94.2Very high95.1Very high68 Ų6859.8 Ų59.836%0.36432%0.319SS..  trans-87.3145.7176-69.3-35.2000111.4C80 C83 L117C80-N85 PolarHBondContact N-O 3.28Å; C80-N85 VanDerWaalsContact N-O 3.09Å; C83-N85 PolarHBondContact O-N 2.97Å; N85-L117 HydrophobicContact CB-CD1 3.37Å; N85-L117 WeakPolarHBondContact ND2-CD1 3.45Å
86P94.6Very high95.1Very high73 Ų7360.5 Ų60.547%0.47432%0.319SS..EExtended strand (participates in β ladder)trans-75.6143.917831.7-33.4000110.7W79W79-P86 HydrophobicContact CD2-CB 4.3Å; W79-P86 HydrophobicContact CE3-CB 3.97Å; W79-P86 HydrophobicContact CH2-CB 4.16Å; W79-P86 HydrophobicContact CH2-CG 4.37Å; W79-P86 HydrophobicContact CZ2-CB 4.47Å; W79-P86 HydrophobicContact CZ3-CB 3.91Å; W79-P86 HydrophobicContact CZ3-CG 4.07Å
87I95.2Very high95.3Very high3 Ų362.4 Ų62.42%0.01533%0.327CS..EExtended strand (participates in β ladder)trans-114.9120.1170.9-54.9170000106.8M74 N77 C78 C80 V91 Y93 I122M74-I87 HydrophobicContact CE-CD1 3.98Å; M74-I87 HydrophobicContact CE-CG2 4.08Å; M74-I87 HydrophobicContact CG-CG2 3.8Å; N77-I87 WeakPolarHBondContact CA-O 3.44Å; C78-I87 PolarHBondContact N-O 3.43Å; C78-I87 PolarHBondContact O-N 3.23Å; C80-I87 HydrophobicContact CB-CD1 4.32Å; I87-V91 HydrophobicContact CG2-CB 3.9Å; I87-V91 HydrophobicContact CG2-CG1 4.21Å; I87-V91 HydrophobicContact CG2-CG2 3.99Å; I87-Y93 HydrophobicContact CG2-CE2 4.18Å; I87-I122 HydrophobicContact CD1-CD1 3.34Å
88G94.7Very high95.3Very high31 Ų3164.8 Ų64.832%0.3234%0.335SS..  trans-71.8154.8178.400000112.6V91G88-V91 VanDerWaalsContact O-CG2 3.23Å; G88-V91 WeakPolarHBondContact O-CG2 3.5Å; G88-V91 PolarHBondContact O-N 3.17Å
89M95.4Very high95.4Very high135 Ų13570.2 Ų70.267%0.66536%0.359SS*.THydrogen-bonded Turntrans-56.2138.2165.2-175.6178.971.500110.2N77N77-M89 PolarHBondContact OD1-N 2.97Å
90G95.4Very high95.4Very high35 Ų3570 Ų7036%0.36137%0.366SS..THydrogen-bonded Turntrans84.2-0.8179.100000115.6M74 R92M74-G90 PolarHBondContact O-N 3.35Å; G90-R92 PolarHBondContact O-N 3.28Å
91V95Very high95.3Very high45 Ų4571.2 Ų71.227%0.27338%0.378SS..  trans-63.2129.4172.9177.40000109.7E73 M74 I87 G88 Y93E73-V91 WeakPolarHBondContact CA-O 3.41Å; M74-V91 HydrophobicContact CG-CB 4.35Å; M74-V91 PolarHBondContact N-O 3.42Å; I87-V91 HydrophobicContact CG2-CB 3.9Å; I87-V91 HydrophobicContact CG2-CG1 4.21Å; I87-V91 HydrophobicContact CG2-CG2 3.99Å; G88-V91 VanDerWaalsContact O-CG2 3.23Å; G88-V91 WeakPolarHBondContact O-CG2 3.5Å; G88-V91 PolarHBondContact O-N 3.17Å; V91-Y93 HydrophobicContact CB-CE2 4.08Å; V91-Y93 HydrophobicContact CG1-CD2 4.26Å; V91-Y93 HydrophobicContact CG1-CE2 3.5Å
92R96.1Very high95.4Very high151 Ų15171.3 Ų71.357%0.5738%0.378SS*.EExtended strand (participates in β ladder)trans-93.1130.6-172.7-73.6169175.8144.36.1111.9F72 E73 G90F72-R92 CarbonylContact O-C 3.52Å; F72-R92 WeakPolarHBondContact O-CA 3.27Å; E73-R92 HydrophobicContact CG-CG 3.66Å; E73-R92 IonicContact OE1-CZ 2.67Å; E73-R92 IonicContact OE1-NE 3.84Å; E73-R92 PolarHBondContact OE1-NE 3.48Å; E73-R92 IonicContact OE1-NH2 3.91Å; E73-R92 PolarHBondContact OE1-NH2 3.34Å; G90-R92 PolarHBondContact O-N 3.28Å
93Y96Very high95.4Very high14 Ų1470.8 Ų70.86%0.05537%0.365CS..EExtended strand (participates in β ladder)trans-126150.6177.2-69.4-77.8000112.2R71 F72 M74 I87 V91 A95 M113 P114 H116R71-Y93 CarbonylContact C-O 3.6Å; R71-Y93 WeakPolarHBondContact CA-O 3.4Å; F72-Y93 PolarHBondContact N-O 3.21Å; F72-Y93 PolarHBondContact O-N 3.02Å; M74-Y93 HydrophobicContact CE-CD2 4.15Å; M74-Y93 HydrophobicContact CE-CE2 3.61Å; M74-Y93 HydrophobicContact CG-CD2 3.96Å; M74-Y93 HydrophobicContact CG-CE2 3.61Å; M74-Y93 HydrophobicContact SD-CE2 4.37Å; I87-Y93 HydrophobicContact CG2-CE2 4.18Å; V91-Y93 HydrophobicContact CB-CE2 4.08Å; V91-Y93 HydrophobicContact CG1-CD2 4.26Å; V91-Y93 HydrophobicContact CG1-CE2 3.5Å; Y93-A95 PolarHBondContact O-N 3.04Å; Y93-M113 HydrophobicContact CD1-CB 4.47Å; Y93-M113 HydrophobicContact CD2-SD 3.64Å; Y93-M113 HydrophobicContact CE2-SD 4.33Å; Y93-M113 HydrophobicContact CG-CB 4.17Å; Y93-M113 HydrophobicContact CG-CG 4.38Å; Y93-M113 HydrophobicContact CG-SD 3.88Å; Y93-P114 WeakPolarHBondContact CD1-O 3.35Å; Y93-P114 WeakPolarHBondContact CE1-O 3.21Å; Y93-H116 HydrophobicContact CE1-CB 4.11Å; Y93-H116 PolarHBondContact OH-ND1 3.18Å
94N95.2Very high95.5Very high118 Ų11876.6 Ų76.663%0.63139%0.389SS*.EExtended strand (participates in β ladder)trans-84.989.8162.4-67.1-35.3000107.4T69 I70T69-N94 HydrophobicContact CG2-CB 4.12Å; I70-N94 CarbonylContact O-C 3.52Å; I70-N94 WeakPolarHBondContact O-CA 3.16Å
95A96.1Very high95.6Very high0 Ų073.5 Ų73.50%039%0.388CS..EExtended strand (participates in β ladder)trans-92144.1-175.700000111.5T69 I70 F72 Y93 F111 S112 M113T69-A95 CarbonylContact C-O 3.52Å; T69-A95 WeakPolarHBondContact CA-O 3.28Å; I70-A95 HydrophobicContact CG1-CB 4.37Å; I70-A95 PolarHBondContact N-O 3.41Å; I70-A95 PolarHBondContact O-N 2.9Å; F72-A95 HydrophobicContact CB-CB 3.63Å; F72-A95 HydrophobicContact CG-CB 4.36Å; Y93-A95 PolarHBondContact O-N 3.04Å; A95-F111 HydrophobicContact CB-CB 4.46Å; A95-S112 CarbonylContact C-O 3.59Å; A95-S112 WeakPolarHBondContact CA-O 3.43Å; A95-M113 HydrophobicContact CB-CB 4.03Å
96E96Very high95.7Very high57 Ų5773.5 Ų73.527%0.26639%0.391SS..EExtended strand (participates in β ladder)trans-85.1110.7169.5-67.7-166.8171.400109.1K62 I67 F111 S112K62-E96 VanDerWaalsContact NZ-CD 3.31Å; K62-E96 IonicContact NZ-OE1 3.13Å; K62-E96 PolarHBondContact NZ-OE1 2.89Å; K62-E96 IonicContact NZ-OE2 3.33Å; K62-E96 PolarHBondContact NZ-OE2 3.13Å; K62-E96 VanDerWaalsContact NZ-OE2 3.13Å; I67-E96 HydrophobicContact CG2-CB 3.64Å; I67-E96 HydrophobicContact CG2-CG 4.03Å; E96-F111 WeakPolarHBondContact O-CA 3.25Å; E96-S112 PolarHBondContact N-O 2.81Å; E96-S112 PolarHBondContact O-N 3.32Å
97K96.9Very high95.8Very high59 Ų5971.6 Ų71.626%0.25738%0.378SS..EExtended strand (participates in β ladder)trans-88.9122.2175.9178.3-178.9-179.11770109.6I67 I68 I70 Y109 F111I67-K97 WeakPolarHBondContact CA-O 3.5Å; I68-K97 PolarHBondContact N-O 2.92Å; I68-K97 VanDerWaalsContact N-O 3.08Å; I68-K97 PolarHBondContact O-N 3.35Å; I70-K97 HydrophobicContact CD1-CB 4.07Å; I70-K97 HydrophobicContact CD1-CD 4.23Å; I70-K97 HydrophobicContact CG1-CB 4.06Å; I70-K97 HydrophobicContact CG2-CB 4.27Å; I70-K97 HydrophobicContact CG2-CD 4.39Å; K97-Y109 HydrophobicContact CD-CD1 4.25Å; K97-Y109 VanDerWaalsContact CE-CG 3.42Å; K97-Y109 HydrophobicContact CG-CD1 4.05Å; K97-Y109 HydrophobicContact CG-CG 4.42Å; K97-F111 HydrophobicContact CB-CD1 4.03Å; K97-F111 HydrophobicContact CB-CE1 3.95Å; K97-F111 HydrophobicContact CD-CE1 3.97Å; K97-F111 HydrophobicContact CG-CD1 4.19Å; K97-F111 HydrophobicContact CG-CE1 3.68Å
98K96.2Very high95.9Very high99 Ų9972.7 Ų72.743%0.4338%0.384SS..EExtended strand (participates in β ladder)trans-122.6141.6174.4-174.8179.5177.4-175.40110I67 Y109 Q110I67-K98 HydrophobicContact CG1-CB 4.37Å; I67-K98 HydrophobicContact CG1-CG 4.4Å; K98-Y109 CarbonylContact O-C 3.53Å; K98-Y109 WeakPolarHBondContact O-CA 2.9Å; K98-Q110 PolarHBondContact N-O 2.8Å; K98-Q110 PolarHBondContact O-N 2.74Å
99K96.5Very high96Very high115 Ų11574.6 Ų74.650%0.538%0.382SS..EExtended strand (participates in β ladder)trans-85.4123167.9-177-178.3174.1-177.90108.3M102 P107 Y109K99-M102 PolarHBondContact NZ-SD 2.78Å; K99-M102 VanDerWaalsContact NZ-SD 3.42Å; K99-P107 HydrophobicContact CD-CB 4.17Å; K99-P107 HydrophobicContact CG-CB 4.26Å; K99-Y109 HydrophobicContact CB-CD1 4.25Å; K99-Y109 HydrophobicContact CB-CE1 4.14Å; K99-Y109 HydrophobicContact CG-CE1 4.48Å
100V95.3Very high96.1Very high73 Ų7370.5 Ų70.544%0.44236%0.361SS..EExtended strand (participates in β ladder)trans-105.9-40.8-176179.50000112I108 Q110V100-I108 PolarHBondContact N-O 2.98Å; V100-Q110 HydrophobicContact CG2-CB 3.37Å; V100-Q110 HydrophobicContact CG2-CG 4.35Å
101G95.1Very high96.2Very high27 Ų2769.3 Ų69.328%0.27835%0.346SS..EExtended strand (participates in β ladder)trans-157.7-168.2-176.100000112.1I108G101-I108 PolarHBondContact O-N 2.75Å
102M96.3Very high96.3Very high101 Ų10168.8 Ų68.850%0.49834%0.344SS..EExtended strand (participates in β ladder)trans-134.7138.4174.9-61.8-154.964.900110.1K99 S105 T106K99-M102 PolarHBondContact NZ-SD 2.78Å; K99-M102 VanDerWaalsContact NZ-SD 3.42Å; M102-S105 VanDerWaalsContact CE-C 3.47Å; M102-S105 WeakPolarHBondContact CE-O 3.44Å; M102-T106 CarbonylContact C-O 3.49Å; M102-T106 WeakPolarHBondContact CA-O 3.45Å
103Y96.2Very high96.2Very high82 Ų8261.6 Ų61.632%0.32232%0.317SS..EExtended strand (participates in β ladder)trans-105.9103.5167.9-178.9-109.4000107.8S105 T106 P128 K129Y103-S105 PolarHBondContact O-N 3.02Å; Y103-T106 PolarHBondContact N-O 3.29Å; Y103-T106 PolarHBondContact O-N 2.94Å; Y103-P128 HydrophobicContact CD1-CB 3.81Å; Y103-P128 HydrophobicContact CD1-CG 3.49Å; Y103-P128 VanDerWaalsContact CD1-CG 3.49Å; Y103-P128 HydrophobicContact CE1-CG 4.43Å; Y103-P128 HydrophobicContact CG-CB 4.37Å; Y103-P128 HydrophobicContact CG-CG 3.53Å; Y103-K129 HydrophobicContact CE1-CB 4.29Å; Y103-K129 HydrophobicContact CE2-CB 4.26Å
104H95.4Very high96.2Very high157 Ų15764.4 Ų64.473%0.72734%0.337SS*.THydrogen-bonded Turntrans50.8-111.4-165.2-55.1-72.6000110.8
105S95.7Very high96.2Very high100 Ų10059.3 Ų59.370%0.69931%0.311SS*.THydrogen-bonded Turntrans-92.5-9.517755.90000114.3M102 Y103M102-S105 VanDerWaalsContact CE-C 3.47Å; M102-S105 WeakPolarHBondContact CE-O 3.44Å; Y103-S105 PolarHBondContact O-N 3.02Å
106T95.8Very high95.9Very high69 Ų6964.2 Ų64.242%0.42333%0.333SS..EExtended strand (participates in β ladder)trans-94.1126.5-173.5-55.80000111M102 Y103 P128M102-T106 CarbonylContact C-O 3.49Å; M102-T106 WeakPolarHBondContact CA-O 3.45Å; Y103-T106 PolarHBondContact N-O 3.29Å; Y103-T106 PolarHBondContact O-N 2.94Å; T106-P128 HydrophobicContact CG2-CB 4.23Å
107P96.5Very high95.7Very high33 Ų3365.9 Ų65.921%0.21434%0.344CS..EExtended strand (participates in β ladder)trans-71.6136.8178.429.4-34.6000111.6K99 Y109K99-P107 HydrophobicContact CD-CB 4.17Å; K99-P107 HydrophobicContact CG-CB 4.26Å; P107-Y109 HydrophobicContact CB-CE1 4.35Å; P107-Y109 HydrophobicContact CB-CE2 4.2Å; P107-Y109 HydrophobicContact CG-CE2 3.71Å; P107-Y109 WeakPolarHBondContact CG-OH 3.39Å
108I97.6Very high95.5Very high26 Ų2664.6 Ų64.613%0.13334%0.342CS..EExtended strand (participates in β ladder)trans-90.8123.1170.7-59.4167.2000108.8V100 G101 Q125 T126 P128V100-I108 PolarHBondContact N-O 2.98Å; G101-I108 PolarHBondContact O-N 2.75Å; I108-Q125 HydrophobicContact CG2-CG 3.39Å; I108-T126 WeakPolarHBondContact CG2-O 3.45Å; I108-P128 HydrophobicContact CG1-CG 4.25Å
109Y97.2Very high95.4Very high70 Ų7065 Ų6528%0.27536%0.363SS..EExtended strand (participates in β ladder)trans-103140.3178.4-64.1-66.5000111.2K97 K98 K99 P107 Q125 T126K97-Y109 HydrophobicContact CD-CD1 4.25Å; K97-Y109 VanDerWaalsContact CE-CG 3.42Å; K97-Y109 HydrophobicContact CG-CD1 4.05Å; K97-Y109 HydrophobicContact CG-CG 4.42Å; K98-Y109 CarbonylContact O-C 3.53Å; K98-Y109 WeakPolarHBondContact O-CA 2.9Å; K99-Y109 HydrophobicContact CB-CD1 4.25Å; K99-Y109 HydrophobicContact CB-CE1 4.14Å; K99-Y109 HydrophobicContact CG-CE1 4.48Å; P107-Y109 HydrophobicContact CB-CE1 4.35Å; P107-Y109 HydrophobicContact CB-CE2 4.2Å; P107-Y109 HydrophobicContact CG-CE2 3.71Å; P107-Y109 WeakPolarHBondContact CG-OH 3.39Å; Y109-Q125 WeakPolarHBondContact O-CA 3.34Å; Y109-T126 PolarHBondContact N-OG1 2.9Å; Y109-T126 PolarHBondContact O-N 3.04Å; Y109-T126 PolarHBondContact O-OG1 2.94Å
110Q97.5Very high95.2Very high49 Ų4959.9 Ų59.923%0.22934%0.344CS..EExtended strand (participates in β ladder)trans-108.7133.9168.6-179.8-177.9-21.300108.8K98 V100 V123 M124K98-Q110 PolarHBondContact N-O 2.8Å; K98-Q110 PolarHBondContact O-N 2.74Å; V100-Q110 HydrophobicContact CG2-CB 3.37Å; V100-Q110 HydrophobicContact CG2-CG 4.35Å; Q110-V123 HydrophobicContact CG-CG1 3.54Å; Q110-M124 CarbonylContact C-O 3.59Å; Q110-M124 VanDerWaalsContact CA-O 3.3Å; Q110-M124 WeakPolarHBondContact CA-O 3.31Å
111F97.5Very high95.2Very high10 Ų1059.9 Ų59.94%0.04434%0.344CS..EExtended strand (participates in β ladder)trans-114.3117.4177.7-55.7-76.7000108.4I70 F72 A95 E96 K97 V123 M124 T126 Y133I70-F111 HydrophobicContact CD1-CD1 3.78Å; I70-F111 HydrophobicContact CD1-CE1 3.49Å; I70-F111 VanDerWaalsContact CD1-CE1 3.49Å; F72-F111 HydrophobicContact CD2-CD1 4.11Å; F72-F111 HydrophobicContact CD2-CE1 4.2Å; F72-F111 HydrophobicContact CD2-CG 4.3Å; F72-F111 HydrophobicContact CD2-CZ 4.48Å; F72-F111 HydrophobicContact CE2-CD1 4.3Å; F72-F111 HydrophobicContact CE2-CD2 4.01Å; F72-F111 HydrophobicContact CE2-CE1 4.28Å; F72-F111 AromaticContact CE2-CE2 3.98Å; F72-F111 HydrophobicContact CE2-CE2 3.98Å; F72-F111 HydrophobicContact CE2-CG 4.17Å; F72-F111 HydrophobicContact CE2-CZ 4.11Å; F72-F111 HydrophobicContact CZ-CD2 4.09Å; F72-F111 HydrophobicContact CZ-CE2 4.38Å; F72-F111 HydrophobicContact CZ-CG 4.38Å; A95-F111 HydrophobicContact CB-CB 4.46Å; E96-F111 WeakPolarHBondContact O-CA 3.25Å; K97-F111 HydrophobicContact CB-CD1 4.03Å; K97-F111 HydrophobicContact CB-CE1 3.95Å; K97-F111 HydrophobicContact CD-CE1 3.97Å; K97-F111 HydrophobicContact CG-CD1 4.19Å; K97-F111 HydrophobicContact CG-CE1 3.68Å; F111-V123 WeakPolarHBondContact O-CA 3.34Å; F111-M124 PolarHBondContact N-O 3.22Å; F111-M124 PolarHBondContact O-N 3.12Å; F111-T126 HydrophobicContact CE2-CG2 3.68Å; F111-T126 HydrophobicContact CZ-CG2 4.36Å; F111-Y133 HydrophobicContact CD2-CE1 4.37Å; F111-Y133 HydrophobicContact CE2-CD1 4.39Å; F111-Y133 AromaticContact CE2-CE1 3.81Å; F111-Y133 HydrophobicContact CE2-CE1 3.81Å
112S96.6Very high95.3Very high34 Ų3458.6 Ų58.624%0.23833%0.33CS..EExtended strand (participates in β ladder)trans-103127.3171179.60000109.1A95 E96 T121A95-S112 CarbonylContact C-O 3.59Å; A95-S112 WeakPolarHBondContact CA-O 3.43Å; E96-S112 PolarHBondContact N-O 2.81Å; E96-S112 PolarHBondContact O-N 3.32Å; S112-T121 WeakPolarHBondContact OG-CG2 3.31Å
113M95Very high95.4Very high1 Ų154.2 Ų54.21%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-141.9143.7-179.356.7-170.515800111.5F72 M74 Y93 A95 I122 M124F72-M113 HydrophobicContact CD1-CE 4.43Å; F72-M113 HydrophobicContact CD1-SD 4.08Å; F72-M113 HydrophobicContact CE1-CE 4.38Å; M74-M113 HydrophobicContact CE-CE 3.23Å; M74-M113 HydrophobicContact CE-SD 3.69Å; M74-M113 HydrophobicContact SD-CE 3.43Å; M74-M113 WeakPolarHBondContact SD-CE 3.42Å; M74-M113 HydrophobicContact SD-SD 4.09Å; Y93-M113 HydrophobicContact CD1-CB 4.47Å; Y93-M113 HydrophobicContact CD2-SD 3.64Å; Y93-M113 HydrophobicContact CE2-SD 4.33Å; Y93-M113 HydrophobicContact CG-CB 4.17Å; Y93-M113 HydrophobicContact CG-CG 4.38Å; Y93-M113 HydrophobicContact CG-SD 3.88Å; A95-M113 HydrophobicContact CB-CB 4.03Å; M113-I122 HydrophobicContact CE-CB 4.29Å; M113-I122 HydrophobicContact CE-CG2 3.9Å; M113-I122 HydrophobicContact CG-CB 4.13Å; M113-I122 PolarHBondContact N-O 3.29Å; M113-I122 PolarHBondContact O-N 3.18Å; M113-M124 HydrophobicContact CE-CE 3.71Å; M113-M124 HydrophobicContact CE-CG 3.89Å; M113-M124 HydrophobicContact CE-SD 3.48Å; M113-M124 WeakPolarHBondContact CE-SD 3.34Å
114P95Very high95.4Very high72 Ų7250.3 Ų50.347%0.46829%0.294SS..EExtended strand (participates in β ladder)trans-75.4149.3174.831.2-34.2000111Y93Y93-P114 WeakPolarHBondContact CD1-O 3.35Å; Y93-P114 WeakPolarHBondContact CE1-O 3.21Å
115C95Very high95.5Very high11 Ų1144.7 Ų44.77%0.07427%0.268CS..  trans-66.8150.9166.6-1730000110.2L117 C118 G120C115-L117 VanDerWaalsContact C-N 3.33Å; C115-C118 VanDerWaalsContact CB-SG 3.54Å; C115-C118 VanDerWaalsContact O-O 3.12Å; C115-G120 PolarHBondContact N-O 2.89Å
116H90.1Very high95.6Very high103 Ų10341 Ų4148%0.47724%0.241SC..SBendtrans-81.9-14.8-178.567.8-82.1000113Y93Y93-H116 HydrophobicContact CE1-CB 4.11Å; Y93-H116 PolarHBondContact OH-ND1 3.18Å
117L92Very high95.6Very high93 Ų9339.9 Ų39.949%0.48723%0.233SC..SBendtrans-111-21.9-176.7-59.5170.4000113.1N85 C115N85-L117 HydrophobicContact CB-CD1 3.37Å; N85-L117 WeakPolarHBondContact ND2-CD1 3.45Å; C115-L117 VanDerWaalsContact C-N 3.33Å
118C93.5Very high95.6Very high32 Ų3239.8 Ų39.822%0.21623%0.232CC..SBendtrans-141.5167.7-177.567.90000111.3C83 C115 G120C83-C118 HydrophobicContact CB-CB 3.91Å; C83-C118 VanDerWaalsContact SG-SG 3.6Å; C115-C118 VanDerWaalsContact CB-SG 3.54Å; C115-C118 VanDerWaalsContact O-O 3.12Å; C118-G120 PolarHBondContact O-N 3.35Å; C118-G120 VanDerWaalsContact O-N 3.12Å; C118-G120 PolarHBondContact SG-N 3.27Å
119A92.8Very high95.5Very high106 Ų10645.8 Ų45.888%0.87626%0.258SS*.SBendtrans-74.610.1175.100000114
120G93.9Very high95.4Very high9 Ų946.6 Ų46.69%0.09327%0.266CS..  trans-68.4142.7176.500000111.6C115 C118C115-G120 PolarHBondContact N-O 2.89Å; C118-G120 PolarHBondContact O-N 3.35Å; C118-G120 VanDerWaalsContact O-N 3.12Å; C118-G120 PolarHBondContact SG-N 3.27Å
121T95.6Very high95.3Very high72 Ų7253.5 Ų53.544%0.44230%0.296SS..EExtended strand (participates in β ladder)trans-103.2135.2176-59.10000109.8S112 V123 G138S112-T121 WeakPolarHBondContact OG-CG2 3.31Å; T121-V123 HydrophobicContact CG2-CG2 4.27Å; T121-G138 WeakPolarHBondContact O-CA 3.14Å
122I96.4Very high95.1Very high0 Ų058.1 Ų58.10%032%0.318CS..EExtended strand (participates in β ladder)trans-109.7128.5176-56.8169000107.8M74 I87 M113 M124 E137 A139M74-I122 HydrophobicContact CE-CD1 3.78Å; M74-I122 HydrophobicContact CE-CG2 4.4Å; I87-I122 HydrophobicContact CD1-CD1 3.34Å; M113-I122 HydrophobicContact CE-CB 4.29Å; M113-I122 HydrophobicContact CE-CG2 3.9Å; M113-I122 HydrophobicContact CG-CB 4.13Å; M113-I122 PolarHBondContact N-O 3.29Å; M113-I122 PolarHBondContact O-N 3.18Å; I122-M124 HydrophobicContact CG2-CE 4.16Å; I122-M124 HydrophobicContact CG2-CG 4.35Å; I122-E137 WeakPolarHBondContact CA-O 3.34Å; I122-A139 HydrophobicContact CD1-CB 4.32Å; I122-A139 HydrophobicContact CG1-CB 4.28Å; I122-A139 HydrophobicContact CG2-CB 3.76Å
123V97.2Very high95.1Very high9 Ų960.6 Ų60.66%0.05532%0.323CS..EExtended strand (participates in β ladder)trans-116.8122.1-179.5-175.70000109.3Q110 F111 T121 L136 E137Q110-V123 HydrophobicContact CG-CG1 3.54Å; F111-V123 WeakPolarHBondContact O-CA 3.34Å; T121-V123 HydrophobicContact CG2-CG2 4.27Å; V123-L136 HydrophobicContact CB-CB 4.39Å; V123-L136 HydrophobicContact CG1-CB 4.2Å; V123-L136 HydrophobicContact CG1-CD1 4.01Å; V123-L136 PolarHBondContact O-N 3.4Å; V123-E137 HydrophobicContact CB-CB 4.13Å; V123-E137 HydrophobicContact CG2-CB 4.26Å; V123-E137 PolarHBondContact N-O 2.89Å; V123-E137 PolarHBondContact O-N 2.94Å
124M96.7Very high95.2Very high0 Ų063 Ų630%034%0.337CS..EExtended strand (participates in β ladder)trans-121.4148.3176.6-65.9-174.8175.300111.1F72 M74 P75 Q110 F111 M113 I122 V134 I135F72-M124 HydrophobicContact CE1-SD 4.36Å; M74-M124 HydrophobicContact CE-CE 4Å; M74-M124 HydrophobicContact SD-CE 3.39Å; M74-M124 WeakPolarHBondContact SD-CE 3.29Å; M74-M124 HydrophobicContact SD-SD 4.15Å; P75-M124 HydrophobicContact CG-SD 4.35Å; Q110-M124 CarbonylContact C-O 3.59Å; Q110-M124 VanDerWaalsContact CA-O 3.3Å; Q110-M124 WeakPolarHBondContact CA-O 3.31Å; F111-M124 PolarHBondContact N-O 3.22Å; F111-M124 PolarHBondContact O-N 3.12Å; M113-M124 HydrophobicContact CE-CE 3.71Å; M113-M124 HydrophobicContact CE-CG 3.89Å; M113-M124 HydrophobicContact CE-SD 3.48Å; M113-M124 WeakPolarHBondContact CE-SD 3.34Å; I122-M124 HydrophobicContact CG2-CE 4.16Å; I122-M124 HydrophobicContact CG2-CG 4.35Å; M124-V134 CarbonylContact C-O 3.18Å; M124-V134 VanDerWaalsContact CA-O 3.32Å; M124-V134 WeakPolarHBondContact CA-O 3.15Å; M124-I135 HydrophobicContact CE-CD1 4.2Å; M124-I135 HydrophobicContact CE-CG1 3.79Å; M124-I135 HydrophobicContact CG-CG1 4.09Å
125Q97.1Very high95.2Very high39 Ų3961.1 Ų61.118%0.18232%0.323CS..EExtended strand (participates in β ladder)trans-124.9148.2177.5-173.9170.5-300110.7I108 Y109 Y133 V134 L136I108-Q125 HydrophobicContact CG2-CG 3.39Å; Y109-Q125 WeakPolarHBondContact O-CA 3.34Å; Q125-Y133 CarbonylContact O-C 3.52Å; Q125-Y133 WeakPolarHBondContact O-CA 3.4Å; Q125-V134 PolarHBondContact N-O 3.45Å; Q125-V134 PolarHBondContact O-N 3.06Å; Q125-L136 HydrophobicContact CB-CD1 4.07Å; Q125-L136 HydrophobicContact CB-CD2 4.46Å; Q125-L136 HydrophobicContact CB-CG 4.12Å
126T97.7Very high95.2Very high22 Ų2264.4 Ų64.414%0.13534%0.339CS..EExtended strand (participates in β ladder)trans-83.4130.9171.856.80000111.3I108 Y109 F111 P128 Y133I108-T126 WeakPolarHBondContact CG2-O 3.45Å; Y109-T126 PolarHBondContact N-OG1 2.9Å; Y109-T126 PolarHBondContact O-N 3.04Å; Y109-T126 PolarHBondContact O-OG1 2.94Å; F111-T126 HydrophobicContact CE2-CG2 3.68Å; F111-T126 HydrophobicContact CZ-CG2 4.36Å; T126-P128 WeakPolarHBondContact O-CD 3.48Å; T126-Y133 HydrophobicContact CG2-CD1 3.99Å; T126-Y133 HydrophobicContact CG2-CE1 3.6Å
127D96.6Very high95.5Very high46 Ų4665.7 Ų65.725%0.24635%0.346CS..EExtended strand (participates in β ladder)trans-111.791.8174.8-77.611.3000110.2K129 N130 F131 Q132 V134D127-K129 PolarHBondContact O-N 3.44Å; D127-N130 PolarHBondContact O-N 2.9Å; D127-F131 PolarHBondContact O-N 3.49Å; D127-F131 VanDerWaalsContact O-N 3.12Å; D127-Q132 PolarHBondContact N-O 3.13Å; D127-Q132 PolarHBondContact O-N 2.99Å; D127-V134 HydrophobicContact CB-CG2 4.34Å; D127-V134 WeakPolarHBondContact OD2-CG2 3.39Å
128P96.5Very high95.6Very high32 Ų3262 Ų6221%0.20833%0.329CS..THydrogen-bonded Turntrans-65-22.4-176.623.5-33.2000113.7Y103 T106 I108 T126Y103-P128 HydrophobicContact CD1-CB 3.81Å; Y103-P128 HydrophobicContact CD1-CG 3.49Å; Y103-P128 VanDerWaalsContact CD1-CG 3.49Å; Y103-P128 HydrophobicContact CE1-CG 4.43Å; Y103-P128 HydrophobicContact CG-CB 4.37Å; Y103-P128 HydrophobicContact CG-CG 3.53Å; T106-P128 HydrophobicContact CG2-CB 4.23Å; I108-P128 HydrophobicContact CG1-CG 4.25Å; T126-P128 WeakPolarHBondContact O-CD 3.48Å
129K96.1Very high95.7Very high152 Ų15260.9 Ų60.966%0.66132%0.323SS*.THydrogen-bonded Turntrans-64.1-40.9176.3-174-178.2177.1-178.30112.7Y103 D127Y103-K129 HydrophobicContact CE1-CB 4.29Å; Y103-K129 HydrophobicContact CE2-CB 4.26Å; D127-K129 PolarHBondContact O-N 3.44Å
130N95.2Very high95.8Very high86 Ų8663 Ų6346%0.4631%0.308SS..THydrogen-bonded Turntrans-107.21.7-173-60.2-2.5000112.5D127 Q132D127-N130 PolarHBondContact O-N 2.9Å; N130-Q132 HydrophobicContact CB-CB 4.42Å; N130-Q132 WeakPolarHBondContact O-CG 3.41Å; N130-Q132 PolarHBondContact O-N 3.27Å
131F94.3Very high95.8Very high194 Ų19468.7 Ų68.785%0.85133%0.327SS*.THydrogen-bonded Turntrans5338.4-172.2-56.4-80.9000113.4D127D127-F131 PolarHBondContact O-N 3.49Å; D127-F131 VanDerWaalsContact O-N 3.12Å
132Q94.5Very high95.7Very high107 Ų10769.1 Ų69.150%0.532%0.323SS..EExtended strand (participates in β ladder)trans-129.7164.1-174.2-74.5174.23000112.1D127 N130D127-Q132 PolarHBondContact N-O 3.13Å; D127-Q132 PolarHBondContact O-N 2.99Å; N130-Q132 HydrophobicContact CB-CB 4.42Å; N130-Q132 WeakPolarHBondContact O-CG 3.41Å; N130-Q132 PolarHBondContact O-N 3.27Å
133Y96.4Very high95.4Very high87 Ų8774.3 Ų74.334%0.34135%0.354SS..EExtended strand (participates in β ladder)trans-100.2133.4166.4-66-89000109.1F72 P75 F76 F111 Q125 T126F72-Y133 HydrophobicContact CE2-CE1 4.05Å; F72-Y133 HydrophobicContact CZ-CD1 4.23Å; F72-Y133 AromaticContact CZ-CE1 3.86Å; F72-Y133 HydrophobicContact CZ-CE1 3.86Å; P75-Y133 HydrophobicContact CB-CD2 3.75Å; P75-Y133 HydrophobicContact CB-CE2 4.2Å; P75-Y133 HydrophobicContact CB-CG 4.47Å; P75-Y133 HydrophobicContact CG-CD2 3.79Å; P75-Y133 HydrophobicContact CG-CE2 4.5Å; P75-Y133 HydrophobicContact CG-CG 4Å; F76-Y133 WeakPolarHBondContact CE1-O 3.4Å; F111-Y133 HydrophobicContact CD2-CE1 4.37Å; F111-Y133 HydrophobicContact CE2-CD1 4.39Å; F111-Y133 AromaticContact CE2-CE1 3.81Å; F111-Y133 HydrophobicContact CE2-CE1 3.81Å; Q125-Y133 CarbonylContact O-C 3.52Å; Q125-Y133 WeakPolarHBondContact O-CA 3.4Å; T126-Y133 HydrophobicContact CG2-CD1 3.99Å; T126-Y133 HydrophobicContact CG2-CE1 3.6Å
134V95.8Very high94.6Very high51 Ų5180.4 Ų80.431%0.30938%0.382SS..EExtended strand (participates in β ladder)trans-107.7136174.9171.70000109.4M124 Q125 D127M124-V134 CarbonylContact C-O 3.18Å; M124-V134 VanDerWaalsContact CA-O 3.32Å; M124-V134 WeakPolarHBondContact CA-O 3.15Å; Q125-V134 PolarHBondContact N-O 3.45Å; Q125-V134 PolarHBondContact O-N 3.06Å; D127-V134 HydrophobicContact CB-CG2 4.34Å; D127-V134 WeakPolarHBondContact OD2-CG2 3.39Å
135I96Very high93.7Very high32 Ų3288.2 Ų88.216%0.16442%0.416CS..EExtended strand (participates in β ladder)trans-83.6124.9171.9-62.8160.5000107.5F76 C78 M124 A139 R141F76-I135 HydrophobicContact CE2-CD1 3.5Å; F76-I135 HydrophobicContact CE2-CG1 4.15Å; F76-I135 HydrophobicContact CZ-CD1 3.74Å; F76-I135 HydrophobicContact CZ-CG1 3.87Å; C78-I135 HydrophobicContact CB-CD1 4.24Å; M124-I135 HydrophobicContact CE-CD1 4.2Å; M124-I135 HydrophobicContact CE-CG1 3.79Å; M124-I135 HydrophobicContact CG-CG1 4.09Å; I135-A139 HydrophobicContact CD1-CB 4.04Å; I135-A139 HydrophobicContact CG2-CB 4.12Å; I135-A139 WeakPolarHBondContact CG2-O 3.22Å; I135-R141 HydrophobicContact CD1-CB 4.44Å
136L95.7Very high92.5Very high81 Ų8195.4 Ų95.442%0.42444%0.441SS..EExtended strand (participates in β ladder)trans-86.9-51.3171.2-62.1180000110.1V123 Q125V123-L136 HydrophobicContact CB-CB 4.39Å; V123-L136 HydrophobicContact CG1-CB 4.2Å; V123-L136 HydrophobicContact CG1-CD1 4.01Å; V123-L136 PolarHBondContact O-N 3.4Å; Q125-L136 HydrophobicContact CB-CD1 4.07Å; Q125-L136 HydrophobicContact CB-CD2 4.46Å; Q125-L136 HydrophobicContact CB-CG 4.12Å
137E95.6Very high91.2Very high130 Ų13098 Ų9861%0.60746%0.455SS*.EExtended strand (participates in β ladder)trans-143.4153.3-170.4-60.6178.2178.100112.4I122 V123 A139I122-E137 WeakPolarHBondContact CA-O 3.34Å; V123-E137 HydrophobicContact CB-CB 4.13Å; V123-E137 HydrophobicContact CG2-CB 4.26Å; V123-E137 PolarHBondContact N-O 2.89Å; V123-E137 PolarHBondContact O-N 2.94Å; E137-A139 VanDerWaalsContact C-N 3.29Å; E137-A139 PolarHBondContact O-N 3.33Å
138G94.1Very high90Very high14 Ų1498.2 Ų98.214%0.14446%0.46CS..SBendtrans81.9-11.3166.700000116.7L81 T121L81-G138 PolarHBondContact N-O 2.91Å; T121-G138 WeakPolarHBondContact O-CA 3.14Å
139A95.4Very high88.8Confident10 Ų10104 Ų1048%0.08348%0.484CS..EExtended strand (participates in β ladder)trans-142.8157.9175.400000112.7C78 W79 I122 I135 E137C78-A139 HydrophobicContact CB-CB 4.31Å; W79-A139 CarbonylContact O-C 3.59Å; W79-A139 WeakPolarHBondContact O-CA 3.47Å; W79-A139 WeakPolarHBondContact O-CB 3.45Å; I122-A139 HydrophobicContact CD1-CB 4.32Å; I122-A139 HydrophobicContact CG1-CB 4.28Å; I122-A139 HydrophobicContact CG2-CB 3.76Å; I135-A139 HydrophobicContact CD1-CB 4.04Å; I135-A139 HydrophobicContact CG2-CB 4.12Å; I135-A139 WeakPolarHBondContact CG2-O 3.22Å; E137-A139 VanDerWaalsContact C-N 3.29Å; E137-A139 PolarHBondContact O-N 3.33Å
140R95.1Very high87.7Confident149 Ų149104.1 Ų104.156%0.56249%0.487SS*.EExtended strand (participates in β ladder)trans-118.3140.9166.863.7178.1-174-179.52.4109.6C78 W79 L81C78-R140 CarbonylContact C-O 3.57Å; C78-R140 VanDerWaalsContact CA-O 3.25Å; C78-R140 WeakPolarHBondContact CA-O 2.84Å; C78-R140 VanDerWaalsContact CB-O 3.3Å; C78-R140 WeakPolarHBondContact CB-O 3.36Å; W79-R140 HydrophobicContact CB-CG 3.71Å; W79-R140 HydrophobicContact CG-CG 4.4Å; W79-R140 PolarHBondContact N-O 3.33Å; W79-R140 PolarHBondContact O-N 2.88Å; L81-R140 HydrophobicContact CD2-CB 4.32Å; L81-R140 HydrophobicContact CD2-CG 4.27Å
141R94.4Very high86.9Confident130 Ų130103.7 Ų103.749%0.49148%0.484SS..EExtended strand (participates in β ladder)trans-65.6135.5175.6-176.5165.7-176138.2-1.2109.8F76 I135 V143F76-R141 HydrophobicContact CD2-CB 4.23Å; F76-R141 HydrophobicContact CD2-CG 3.64Å; F76-R141 VanDerWaalsContact CE1-NH1 3.31Å; F76-R141 HydrophobicContact CE2-CB 3.78Å; F76-R141 HydrophobicContact CE2-CG 3.65Å; F76-R141 HydrophobicContact CG-CG 4.43Å; F76-R141 HydrophobicContact CZ-CG 4.47Å; I135-R141 HydrophobicContact CD1-CB 4.44Å; R141-V143 PolarHBondContact O-N 2.7Å
142K93.8Very high85.7Confident81 Ų81103.5 Ų103.535%0.35249%0.486SS..PPolyproline II helixtrans-70.4118.7169.9-174.8177.7-179.7-178.40107.7N77 Q144N77-K142 HydrophobicContact CB-CB 3.92Å; N77-K142 HydrophobicContact CB-CD 4.09Å; N77-K142 VanDerWaalsContact O-CB 3.29Å; N77-K142 WeakPolarHBondContact O-CB 3.44Å; N77-K142 PolarHBondContact O-N 3.44Å; K142-Q144 HydrophobicContact CD-CG 4.37Å; K142-Q144 HydrophobicContact CG-CG 4.24Å; K142-Q144 PolarHBondContact O-N 2.94Å
143V88.5Confident84.6Confident108 Ų108104.2 Ų104.266%0.65549%0.49SS*.PPolyproline II helixtrans-77.7119.3173-1780000107.1R141 K145R141-V143 PolarHBondContact O-N 2.7Å; V143-K145 HydrophobicContact CG1-CB 4.24Å; V143-K145 HydrophobicContact CG1-CD 4Å; V143-K145 HydrophobicContact CG1-CG 3.73Å
144Q81.7Confident83.2Confident137 Ų137107 Ų10764%0.6451%0.508SS*.  trans-118.667.7170.3-66.6-170.3-5700106.8K142K142-Q144 HydrophobicContact CD-CG 4.37Å; K142-Q144 HydrophobicContact CG-CG 4.24Å; K142-Q144 PolarHBondContact O-N 2.94Å
145K76.9Confident81.7Confident165 Ų165109 Ų10972%0.71752%0.517SS*.  trans-80134.6164.2-72.4178.8178.8-176.40106V143 D147V143-K145 HydrophobicContact CG1-CB 4.24Å; V143-K145 HydrophobicContact CG1-CD 4Å; V143-K145 HydrophobicContact CG1-CG 3.73Å; K145-D147 PolarHBondContact O-N 3.2Å
146W72.2Confident80.2Confident190 Ų190114 Ų11472%0.7254%0.543SS*.  trans-76.3103.8173.2-178.4-85.1000107.1N151W146-N151 HydrophobicContact CZ2-CB 4.07Å
147D70.2Confident78.7Confident77 Ų77111.3 Ų111.341%0.41253%0.532SS..  trans-91.1115174.2-68.1-25.7000107.8K145 E149 E150 N151K145-D147 PolarHBondContact O-N 3.2Å; D147-E149 PolarHBondContact O-N 3Å; D147-E150 HydrophobicContact CB-CG 4.17Å; D147-E150 PolarHBondContact O-N 3.16Å; D147-N151 PolarHBondContact O-ND2 3.39Å
148S71.7Confident77.8Confident50 Ų50110.2 Ų110.235%0.3553%0.531SS..THydrogen-bonded Turntrans-64.9-29.4-178.3-610000111.9N151 Q153S148-N151 PolarHBondContact O-N 3.29Å; S148-Q153 PolarHBondContact O-N 3.33Å
149E70.8Confident77.2Confident154 Ų154117.2 Ų117.272%0.7256%0.559SS**THydrogen-bonded Turntrans-64.7-43.9-179.2-62.1-175.6-177.900111.5D147 N151 L155D147-E149 PolarHBondContact O-N 3Å; E149-N151 VanDerWaalsContact C-N 3.28Å; E149-N151 PolarHBondContact O-N 3.27Å; E149-L155 HydrophobicContact CB-CD2 4.19Å; E149-L155 HydrophobicContact CG-CD1 3.59Å; E149-L155 HydrophobicContact CG-CD2 3.36Å; E149-L155 HydrophobicContact CG-CG 4.04Å
150E73.2Confident76.6Confident153 Ų153119.9 Ų119.972%0.71558%0.577SS**THydrogen-bonded Turntrans-71.6-22-177.7-64.2-172.6163.900113.2D147D147-E150 HydrophobicContact CB-CG 4.17Å; D147-E150 PolarHBondContact O-N 3.16Å
151N77.7Confident76.2Confident78 Ų78115.4 Ų115.442%0.41756%0.563SS.*THydrogen-bonded Turntrans-101.315.9-173.8-67.1-67000113.5W146 D147 S148 E149 Q153W146-N151 HydrophobicContact CZ2-CB 4.07Å; D147-N151 PolarHBondContact O-ND2 3.39Å; S148-N151 PolarHBondContact O-N 3.29Å; E149-N151 VanDerWaalsContact C-N 3.28Å; E149-N151 PolarHBondContact O-N 3.27Å; N151-Q153 PolarHBondContact O-N 3.12Å
152E70.6Confident75.8Confident189 Ų189116 Ų11688%0.88357%0.569SS**THydrogen-bonded Turntrans54.621179.2-58.7177.3175.900113.8
153Q71.6Confident75.5Confident123 Ų123118.7 Ų118.758%0.57558%0.581SS**  trans-82.1135.7174.5-1706729.700108.1S148 N151 L155S148-Q153 PolarHBondContact O-N 3.33Å; N151-Q153 PolarHBondContact O-N 3.12Å; Q153-L155 PolarHBondContact O-N 3.25Å
154I66.8Low75.6Confident144 Ų144118 Ų11874%0.73857%0.57SS**  trans-49.4115.3175.4-57.2163.8000108.6I156I154-I156 PolarHBondContact O-N 2.87Å; I154-I156 VanDerWaalsContact O-N 3.1Å
155L63.6Low76Confident93 Ų93113.2 Ų113.249%0.48755%0.549SS..  trans-66.7111.8177.7-63171.7000108.5E149 Q153 A157E149-L155 HydrophobicContact CB-CD2 4.19Å; E149-L155 HydrophobicContact CG-CD1 3.59Å; E149-L155 HydrophobicContact CG-CD2 3.36Å; E149-L155 HydrophobicContact CG-CG 4.04Å; Q153-L155 PolarHBondContact O-N 3.25Å; L155-A157 PolarHBondContact O-N 3.45Å
156I65.1Low76.6Confident137 Ų137109.4 Ų109.470%0.70355%0.548SS*.  trans-74.8116.8171.1-56.8172.3000106.9I154I154-I156 PolarHBondContact O-N 2.87Å; I154-I156 VanDerWaalsContact O-N 3.1Å
157A63.7Low77.6Confident25 Ų25105.8 Ų105.821%0.20755%0.547CS..SBendtrans63.1131.7166.200000116.8L155 E161 L165L155-A157 PolarHBondContact O-N 3.45Å; A157-E161 VanDerWaalsContact CA-OE2 3.26Å; A157-E161 WeakPolarHBondContact CA-OE2 3.33Å; A157-E161 HydrophobicContact CB-CB 3.39Å; A157-E161 HydrophobicContact CB-CG 4.44Å; A157-E161 WeakPolarHBondContact CB-OE2 3.43Å; A157-L165 HydrophobicContact CB-CD1 4.24Å
158N77.8Confident78.7Confident107 Ų107105.9 Ų105.957%0.57255%0.548SS*.  trans-46.4150.7164.5-70.3-57.3000110.3S160 E161 K162N158-S160 WeakPolarHBondContact CB-OG 3.44Å; N158-S160 CarbonylContact O-C 3.53Å; N158-S160 PolarHBondContact O-N 3.41Å; N158-E161 HydrophobicContact CB-CG 4.38Å; N158-E161 PolarHBondContact ND2-OE1 3.04Å; N158-E161 WeakPolarHBondContact O-CA 3.48Å; N158-E161 WeakPolarHBondContact O-CB 3.4Å; N158-E161 PolarHBondContact O-N 2.91Å; N158-K162 PolarHBondContact O-N 2.86Å
159H79.6Confident79.9Confident162 Ų162107.4 Ų107.475%0.7556%0.563SS**Hα-helixtrans-51.5-32.8178.8-17771.4000112.6K163H159-K163 WeakPolarHBondContact O-CB 3.39Å; H159-K163 PolarHBondContact O-N 3.44Å; H159-K163 VanDerWaalsContact O-N 3.08Å
160S84.5Confident81Confident66 Ų66106.3 Ų106.346%0.46256%0.56SS.*Hα-helixtrans-60.4-52.6171.449.70000113N158 K163 Q164N158-S160 WeakPolarHBondContact CB-OG 3.44Å; N158-S160 CarbonylContact O-C 3.53Å; N158-S160 PolarHBondContact O-N 3.41Å; S160-K163 WeakPolarHBondContact O-CB 3.27Å; S160-K163 PolarHBondContact O-N 2.95Å; S160-Q164 WeakPolarHBondContact O-CG 3.41Å; S160-Q164 PolarHBondContact O-N 3.41Å
161E86Confident82Confident55 Ų55101.9 Ų101.926%0.25754%0.537SS..Hα-helixtrans-63.5-41.3178.5-74.3166.7-142.400111.2A157 N158 K163 Q164 L165A157-E161 VanDerWaalsContact CA-OE2 3.26Å; A157-E161 WeakPolarHBondContact CA-OE2 3.33Å; A157-E161 HydrophobicContact CB-CB 3.39Å; A157-E161 HydrophobicContact CB-CG 4.44Å; A157-E161 WeakPolarHBondContact CB-OE2 3.43Å; N158-E161 HydrophobicContact CB-CG 4.38Å; N158-E161 PolarHBondContact ND2-OE1 3.04Å; N158-E161 WeakPolarHBondContact O-CA 3.48Å; N158-E161 WeakPolarHBondContact O-CB 3.4Å; N158-E161 PolarHBondContact O-N 2.91Å; E161-K163 VanDerWaalsContact C-N 3.28Å; E161-K163 PolarHBondContact O-N 2.75Å; E161-Q164 CarbonylContact O-C 3.57Å; E161-Q164 WeakPolarHBondContact O-CB 3.32Å; E161-Q164 PolarHBondContact O-N 3.43Å; E161-Q164 VanDerWaalsContact O-N 3.11Å; E161-L165 WeakPolarHBondContact O-CB 3.36Å; E161-L165 VanDerWaalsContact O-CG 3.31Å; E161-L165 WeakPolarHBondContact O-CG 3.42Å; E161-L165 PolarHBondContact O-N 3.37Å
162K86.1Confident82.8Confident141 Ų141103.1 Ų103.161%0.61354%0.54SS*.Hα-helixtrans-60.2-39.5174.5-174.8174.8-177.3172.70111.9N158 A166N158-K162 PolarHBondContact O-N 2.86Å; K162-A166 WeakPolarHBondContact O-CB 3.44Å; K162-A166 PolarHBondContact O-N 2.79Å
163K88.2Confident84Confident139 Ų13999.3 Ų99.360%0.60453%0.525SS*.Hα-helixtrans-67.7-40.1174.9-174.3-179.5177.9-176.20111.4H159 S160 E161 A166 T167H159-K163 WeakPolarHBondContact O-CB 3.39Å; H159-K163 PolarHBondContact O-N 3.44Å; H159-K163 VanDerWaalsContact O-N 3.08Å; S160-K163 WeakPolarHBondContact O-CB 3.27Å; S160-K163 PolarHBondContact O-N 2.95Å; E161-K163 VanDerWaalsContact C-N 3.28Å; E161-K163 PolarHBondContact O-N 2.75Å; K163-A166 PolarHBondContact O-N 2.66Å; K163-T167 WeakPolarHBondContact O-CB 3.28Å; K163-T167 PolarHBondContact O-N 3.13Å; K163-T167 PolarHBondContact O-OG1 2.98Å
164Q89.4Confident85.1Confident94 Ų9498.8 Ų98.844%0.43952%0.523SS..Hα-helixtrans-64.3-48.3176.1-72.7174-1.500111.3S160 E161 A166 T167 D168 Y171S160-Q164 WeakPolarHBondContact O-CG 3.41Å; S160-Q164 PolarHBondContact O-N 3.41Å; E161-Q164 CarbonylContact O-C 3.57Å; E161-Q164 WeakPolarHBondContact O-CB 3.32Å; E161-Q164 PolarHBondContact O-N 3.43Å; E161-Q164 VanDerWaalsContact O-N 3.11Å; Q164-A166 PolarHBondContact O-N 3.45Å; Q164-A166 VanDerWaalsContact O-N 3.16Å; Q164-T167 PolarHBondContact O-N 3.5Å; Q164-T167 VanDerWaalsContact O-N 3.11Å; Q164-D168 PolarHBondContact O-N 3.31Å; Q164-Y171 HydrophobicContact CB-CD1 3.81Å; Q164-Y171 HydrophobicContact CB-CE1 3.91Å; Q164-Y171 HydrophobicContact CB-CG 4.41Å
165L89.6Confident86.3Confident35 Ų3593.6 Ų93.618%0.18350%0.495CS..Hα-helixtrans-55.8-31.7174.3-71.1169.3000113A157 E161 Y171 H172 H175A157-L165 HydrophobicContact CB-CD1 4.24Å; E161-L165 WeakPolarHBondContact O-CB 3.36Å; E161-L165 VanDerWaalsContact O-CG 3.31Å; E161-L165 WeakPolarHBondContact O-CG 3.42Å; E161-L165 PolarHBondContact O-N 3.37Å; L165-Y171 HydrophobicContact CD2-CD1 3.74Å; L165-Y171 HydrophobicContact CD2-CE1 3.67Å; L165-Y171 HydrophobicContact CG-CD1 4.07Å; L165-Y171 HydrophobicContact CG-CE1 3.79Å; L165-H172 HydrophobicContact CD2-CB 4.45Å; L165-H175 HydrophobicContact CD2-CB 3.72Å
166A90.7Very high87.7Confident86 Ų8691 Ų9171%0.71149%0.485SS*.Hα-helixtrans-85.5-28.4178.700000114K162 K163 Q164K162-A166 WeakPolarHBondContact O-CB 3.44Å; K162-A166 PolarHBondContact O-N 2.79Å; K163-A166 PolarHBondContact O-N 2.66Å; Q164-A166 PolarHBondContact O-N 3.45Å; Q164-A166 VanDerWaalsContact O-N 3.16Å
167T92.6Very high89.1Confident114 Ų11487.9 Ų87.970%0.69947%0.472SS*.Hα-helixtrans-97-39.6-173-48.80000112K163 Q164K163-T167 WeakPolarHBondContact O-CB 3.28Å; K163-T167 PolarHBondContact O-N 3.13Å; K163-T167 PolarHBondContact O-OG1 2.98Å; Q164-T167 PolarHBondContact O-N 3.5Å; Q164-T167 VanDerWaalsContact O-N 3.11Å
168D94.5Very high90.6Very high78 Ų7889.4 Ų89.442%0.41748%0.479SS..  trans-107.6113.6-174.5-175.82.7000111.4Q164 M170 H172Q164-D168 PolarHBondContact O-N 3.31Å; D168-M170 VanDerWaalsContact C-N 3.35Å; D168-M170 PolarHBondContact OD1-N 3.01Å; D168-H172 PolarHBondContact O-N 3.29Å; D168-H172 VanDerWaalsContact O-N 3.17Å
169A94.9Very high91.3Very high82 Ų8287.4 Ų87.468%0.67847%0.468SS*.Hα-helixtrans-69.1-30.4179.700000113L173A169-L173 PolarHBondContact O-N 3.15Å
170M95.7Very high92Very high132 Ų13287 Ų8765%0.6546%0.464SS*.Hα-helixtrans-71.1-47.6178.5-70.5-174.263.200110.4D168 H172 L173 E174D168-M170 VanDerWaalsContact C-N 3.35Å; D168-M170 PolarHBondContact OD1-N 3.01Å; M170-H172 VanDerWaalsContact C-N 3.31Å; M170-H172 PolarHBondContact O-N 3.01Å; M170-L173 PolarHBondContact O-N 3.05Å; M170-L173 VanDerWaalsContact O-N 3.08Å; M170-E174 WeakPolarHBondContact O-CG 3.31Å; M170-E174 PolarHBondContact O-N 3.43Å
171Y93.9Very high92.5Very high59 Ų5988.5 Ų88.523%0.23147%0.465CS..Hα-helixtrans-57-42.9175.1-175.8-100.4000112.3Q164 L165 L173 E174 H175Q164-Y171 HydrophobicContact CB-CD1 3.81Å; Q164-Y171 HydrophobicContact CB-CE1 3.91Å; Q164-Y171 HydrophobicContact CB-CG 4.41Å; L165-Y171 HydrophobicContact CD2-CD1 3.74Å; L165-Y171 HydrophobicContact CD2-CE1 3.67Å; L165-Y171 HydrophobicContact CG-CD1 4.07Å; L165-Y171 HydrophobicContact CG-CE1 3.79Å; Y171-L173 VanDerWaalsContact C-N 3.34Å; Y171-L173 PolarHBondContact O-N 3.25Å; Y171-E174 PolarHBondContact O-N 3.09Å; Y171-H175 VanDerWaalsContact O-CB 3.25Å; Y171-H175 WeakPolarHBondContact O-CB 3.43Å; Y171-H175 PolarHBondContact O-N 2.86Å
172H93.8Very high93Very high104 Ų10490.9 Ų90.948%0.48148%0.475SS..Hα-helixtrans-60-42.4175.3-179.6-76.8000112.5L165 D168 M170 S176L165-H172 HydrophobicContact CD2-CB 4.45Å; D168-H172 PolarHBondContact O-N 3.29Å; D168-H172 VanDerWaalsContact O-N 3.17Å; M170-H172 VanDerWaalsContact C-N 3.31Å; M170-H172 PolarHBondContact O-N 3.01Å; H172-S176 WeakPolarHBondContact O-CB 3.26Å; H172-S176 PolarHBondContact O-N 3.19Å; H172-S176 PolarHBondContact O-OG 3.08Å
173L95.4Very high93.3Very high109 Ų10986.8 Ų86.857%0.57147%0.467SS*.Hα-helixtrans-65.6-48.6179-170150.5000110.9A169 M170 Y171 S176 V177A169-L173 PolarHBondContact O-N 3.15Å; M170-L173 PolarHBondContact O-N 3.05Å; M170-L173 VanDerWaalsContact O-N 3.08Å; Y171-L173 VanDerWaalsContact C-N 3.34Å; Y171-L173 PolarHBondContact O-N 3.25Å; L173-S176 PolarHBondContact O-N 3.3Å; L173-S176 PolarHBondContact O-OG 3.49Å; L173-V177 HydrophobicContact CD2-CG2 4.31Å; L173-V177 WeakPolarHBondContact O-CG2 3.34Å; L173-V177 PolarHBondContact O-N 3.17Å; L173-V177 VanDerWaalsContact O-N 3.07Å
174E94.5Very high93.7Very high112 Ų11283.3 Ų83.352%0.52346%0.46SS..Hα-helixtrans-59.2-48.4177.2-70.1175.7-179.100111.4M170 Y171 S176 V177 T178M170-E174 WeakPolarHBondContact O-CG 3.31Å; M170-E174 PolarHBondContact O-N 3.43Å; Y171-E174 PolarHBondContact O-N 3.09Å; E174-S176 VanDerWaalsContact C-N 3.32Å; E174-S176 PolarHBondContact O-N 2.92Å; E174-V177 WeakPolarHBondContact O-CB 3.5Å; E174-V177 PolarHBondContact O-N 2.92Å; E174-V177 VanDerWaalsContact O-N 3.07Å; E174-T178 WeakPolarHBondContact O-CG2 3.29Å; E174-T178 PolarHBondContact O-N 3.17Å
175H92.4Very high94Very high36 Ų3685 Ų8517%0.16747%0.468CS..Hα-helixtrans-56.9-45.8176.4-168.581.9000111.4L165 Y171 V177 T178 D179L165-H175 HydrophobicContact CD2-CB 3.72Å; Y171-H175 VanDerWaalsContact O-CB 3.25Å; Y171-H175 WeakPolarHBondContact O-CB 3.43Å; Y171-H175 PolarHBondContact O-N 2.86Å; H175-V177 VanDerWaalsContact C-N 3.25Å; H175-V177 PolarHBondContact O-N 3.27Å; H175-T178 WeakPolarHBondContact CA-OG1 3.35Å; H175-T178 PolarHBondContact O-N 2.88Å; H175-T178 VanDerWaalsContact O-N 3.09Å; H175-T178 PolarHBondContact O-OG1 3.11Å; H175-D179 IonicContact CD2-OD2 3.88Å; H175-D179 PolarHBondContact CD2-OD2 3.37Å; H175-D179 IonicContact NE2-OD1 2.77Å; H175-D179 IonicContact NE2-OD2 3.54Å; H175-D179 PolarHBondContact NE2-OD2 3.49Å; H175-D179 PolarHBondContact O-N 3.45Å
176S92.4Very high94.3Very high38 Ų3887.9 Ų87.927%0.26648%0.483SS..Hα-helixtrans-62.1-31.2178.179.70000113.5H172 L173 E174 K180H172-S176 WeakPolarHBondContact O-CB 3.26Å; H172-S176 PolarHBondContact O-N 3.19Å; H172-S176 PolarHBondContact O-OG 3.08Å; L173-S176 PolarHBondContact O-N 3.3Å; L173-S176 PolarHBondContact O-OG 3.49Å; E174-S176 VanDerWaalsContact C-N 3.32Å; E174-S176 PolarHBondContact O-N 2.92Å; S176-K180 VanDerWaalsContact O-CG 3.29Å; S176-K180 WeakPolarHBondContact O-CG 3.44Å; S176-K180 PolarHBondContact O-N 3.25Å
177V96.2Very high94.5Very high71 Ų7187.8 Ų87.843%0.4347%0.469SS..Hα-helixtrans-72.7-44.6173.7173.90000110L173 E174 H175 D179 K180 M181L173-V177 HydrophobicContact CD2-CG2 4.31Å; L173-V177 WeakPolarHBondContact O-CG2 3.34Å; L173-V177 PolarHBondContact O-N 3.17Å; L173-V177 VanDerWaalsContact O-N 3.07Å; E174-V177 WeakPolarHBondContact O-CB 3.5Å; E174-V177 PolarHBondContact O-N 2.92Å; E174-V177 VanDerWaalsContact O-N 3.07Å; H175-V177 VanDerWaalsContact C-N 3.25Å; H175-V177 PolarHBondContact O-N 3.27Å; V177-D179 VanDerWaalsContact C-N 3.3Å; V177-D179 PolarHBondContact O-N 3.39Å; V177-K180 WeakPolarHBondContact O-CB 3.46Å; V177-K180 PolarHBondContact O-N 3.21Å; V177-M181 HydrophobicContact CG1-SD 4.47Å; V177-M181 WeakPolarHBondContact O-CG 3.29Å; V177-M181 PolarHBondContact O-N 3.12Å
178T93.5Very high94.7Very high57 Ų5785.2 Ų85.235%0.3546%0.455SS..Hα-helixtrans-61.7-37.7177.164.90000112.5E174 H175 M181 K182E174-T178 WeakPolarHBondContact O-CG2 3.29Å; E174-T178 PolarHBondContact O-N 3.17Å; H175-T178 WeakPolarHBondContact CA-OG1 3.35Å; H175-T178 PolarHBondContact O-N 2.88Å; H175-T178 VanDerWaalsContact O-N 3.09Å; H175-T178 PolarHBondContact O-OG1 3.11Å; T178-M181 WeakPolarHBondContact O-CB 3.37Å; T178-M181 PolarHBondContact O-N 2.89Å; T178-K182 WeakPolarHBondContact O-CG 3.49Å; T178-K182 PolarHBondContact O-N 3.42Å
179D92.8Very high94.7Very high66 Ų6683.9 Ų83.935%0.35345%0.454SS..Hα-helixtrans-68.1-38.1177.3-71.1-17.9000111.9H175 V177 M181 K182 A183H175-D179 IonicContact CD2-OD2 3.88Å; H175-D179 PolarHBondContact CD2-OD2 3.37Å; H175-D179 IonicContact NE2-OD1 2.77Å; H175-D179 IonicContact NE2-OD2 3.54Å; H175-D179 PolarHBondContact NE2-OD2 3.49Å; H175-D179 PolarHBondContact O-N 3.45Å; V177-D179 VanDerWaalsContact C-N 3.3Å; V177-D179 PolarHBondContact O-N 3.39Å; D179-M181 VanDerWaalsContact C-N 3.32Å; D179-K182 PolarHBondContact O-N 3.16Å; D179-K182 IonicContact OD1-NZ 2.7Å; D179-A183 WeakPolarHBondContact O-CB 3.5Å; D179-A183 PolarHBondContact O-N 3.05Å
180K95.5Very high94.7Very high152 Ų15284.6 Ų84.666%0.66145%0.446SS*.Hα-helixtrans-63.2-39.5171.8-73.7172.5-177.3178.40111.7S176 V177 A183 S184S176-K180 VanDerWaalsContact O-CG 3.29Å; S176-K180 WeakPolarHBondContact O-CG 3.44Å; S176-K180 PolarHBondContact O-N 3.25Å; V177-K180 WeakPolarHBondContact O-CB 3.46Å; V177-K180 PolarHBondContact O-N 3.21Å; K180-A183 PolarHBondContact O-N 3.4Å; K180-S184 PolarHBondContact O-N 3.22Å
181M95.6Very high94.7Very high99 Ų9983.4 Ų83.449%0.48844%0.439SS..Hα-helixtrans-63.3-51.7175.3-74177.84500111.5V177 T178 D179 A183 S184 E185V177-M181 HydrophobicContact CG1-SD 4.47Å; V177-M181 WeakPolarHBondContact O-CG 3.29Å; V177-M181 PolarHBondContact O-N 3.12Å; T178-M181 WeakPolarHBondContact O-CB 3.37Å; T178-M181 PolarHBondContact O-N 2.89Å; D179-M181 VanDerWaalsContact C-N 3.32Å; M181-A183 VanDerWaalsContact C-N 3.26Å; M181-A183 PolarHBondContact O-N 3.15Å; M181-S184 WeakPolarHBondContact O-CA 3.45Å; M181-S184 WeakPolarHBondContact O-CB 3.44Å; M181-S184 PolarHBondContact O-N 3.31Å; M181-S184 PolarHBondContact O-OG 3.46Å; M181-E185 WeakPolarHBondContact O-CG 3.24Å; M181-E185 PolarHBondContact O-N 3.44Å
182K94.6Very high94.7Very high105 Ų10586.7 Ų86.746%0.45746%0.456SS..Hα-helixtrans-54.8-43.1175.1-68.8170.3-169.8162.70111.6T178 D179 S184 E185 I186T178-K182 WeakPolarHBondContact O-CG 3.49Å; T178-K182 PolarHBondContact O-N 3.42Å; D179-K182 PolarHBondContact O-N 3.16Å; D179-K182 IonicContact OD1-NZ 2.7Å; K182-S184 VanDerWaalsContact C-N 3.34Å; K182-S184 PolarHBondContact O-N 3.15Å; K182-E185 PolarHBondContact O-N 2.92Å; K182-I186 WeakPolarHBondContact O-CD1 3.44Å; K182-I186 VanDerWaalsContact O-CG1 3.26Å; K182-I186 WeakPolarHBondContact O-CG1 3.23Å; K182-I186 PolarHBondContact O-N 3.35Å; K182-I186 VanDerWaalsContact O-N 3.15Å
183A94.2Very high94.7Very high54 Ų5486.6 Ų86.645%0.44646%0.463SS..Hα-helixtrans-59.8-44.9175.400000111.3D179 K180 M181 E185 I186 I187D179-A183 WeakPolarHBondContact O-CB 3.5Å; D179-A183 PolarHBondContact O-N 3.05Å; K180-A183 PolarHBondContact O-N 3.4Å; M181-A183 VanDerWaalsContact C-N 3.26Å; M181-A183 PolarHBondContact O-N 3.15Å; A183-E185 PolarHBondContact O-N 3.41Å; A183-I186 PolarHBondContact O-N 3.14Å; A183-I187 WeakPolarHBondContact O-CG1 3.29Å; A183-I187 PolarHBondContact O-N 3.49Å
184S95.8Very high94.5Very high67 Ų6787.5 Ų87.547%0.46946%0.464SS..Hα-helixtrans-65.2-35.6178.171.10000114K180 M181 K182 I186 P188K180-S184 PolarHBondContact O-N 3.22Å; M181-S184 WeakPolarHBondContact O-CA 3.45Å; M181-S184 WeakPolarHBondContact O-CB 3.44Å; M181-S184 PolarHBondContact O-N 3.31Å; M181-S184 PolarHBondContact O-OG 3.46Å; K182-S184 VanDerWaalsContact C-N 3.34Å; K182-S184 PolarHBondContact O-N 3.15Å; S184-I186 VanDerWaalsContact C-N 3.33Å; S184-P188 VanDerWaalsContact O-CD 3.31Å; S184-P188 WeakPolarHBondContact O-CD 3.39Å
185E95.9Very high94.3Very high128 Ų12887.5 Ų87.560%0.59847%0.466SS*.Hα-helixtrans-66.7-33.8176.1-70.9170.3-173.300112.1M181 K182 A183 P188M181-E185 WeakPolarHBondContact O-CG 3.24Å; M181-E185 PolarHBondContact O-N 3.44Å; K182-E185 PolarHBondContact O-N 2.92Å; A183-E185 PolarHBondContact O-N 3.41Å; E185-P188 VanDerWaalsContact O-CD 3.29Å; E185-P188 WeakPolarHBondContact O-CD 3.15Å; E185-P188 VanDerWaalsContact O-CG 3.28Å; E185-P188 WeakPolarHBondContact O-CG 2.92Å
186I95.1Very high94.1Very high96 Ų9690.5 Ų90.549%0.49248%0.484SS..Hα-helixtrans-80.8-26.3-178.6-65.3165.8000112.3K182 A183 S184 A189 I190K182-I186 WeakPolarHBondContact O-CD1 3.44Å; K182-I186 VanDerWaalsContact O-CG1 3.26Å; K182-I186 WeakPolarHBondContact O-CG1 3.23Å; K182-I186 PolarHBondContact O-N 3.35Å; K182-I186 VanDerWaalsContact O-N 3.15Å; A183-I186 PolarHBondContact O-N 3.14Å; S184-I186 VanDerWaalsContact C-N 3.33Å; I186-A189 PolarHBondContact O-N 2.66Å; I186-A189 VanDerWaalsContact O-N 3.15Å; I186-I190 HydrophobicContact CG2-CD1 3.74Å; I186-I190 HydrophobicContact CG2-CG1 3.94Å; I186-I190 PolarHBondContact O-N 2.96Å
187I96Very high93.9Very high84 Ų8498 Ų9843%0.43151%0.506SS..Hα-helixtrans-49.6-50.5179.3-73.4168.4000113.8A183 A189 I190 Q191A183-I187 WeakPolarHBondContact O-CG1 3.29Å; A183-I187 PolarHBondContact O-N 3.49Å; I187-A189 VanDerWaalsContact C-N 3.33Å; I187-A189 PolarHBondContact O-N 2.97Å; I187-I190 PolarHBondContact O-N 3.47Å; I187-I190 VanDerWaalsContact O-N 3.16Å; I187-Q191 HydrophobicContact CG2-CG 4.25Å; I187-Q191 WeakPolarHBondContact O-CG 3.43Å; I187-Q191 PolarHBondContact O-N 2.92Å
188P96.4Very high93.3Very high60 Ų6099.8 Ų99.839%0.3951%0.513SS..Hα-helixtrans-60.6-40.2179.822.1-34.1000112.5S184 E185 I190 Q191 E192S184-P188 VanDerWaalsContact O-CD 3.31Å; S184-P188 WeakPolarHBondContact O-CD 3.39Å; E185-P188 VanDerWaalsContact O-CD 3.29Å; E185-P188 WeakPolarHBondContact O-CD 3.15Å; E185-P188 VanDerWaalsContact O-CG 3.28Å; E185-P188 WeakPolarHBondContact O-CG 2.92Å; P188-I190 VanDerWaalsContact C-N 3.33Å; P188-I190 PolarHBondContact O-N 3.28Å; P188-Q191 WeakPolarHBondContact O-CB 3.34Å; P188-Q191 PolarHBondContact O-N 2.91Å; P188-Q191 VanDerWaalsContact O-N 3.12Å; P188-E192 WeakPolarHBondContact O-CG 3.48Å; P188-E192 PolarHBondContact O-N 3.48Å
189A95.1Very high92.7Very high50 Ų50100 Ų10041%0.41353%0.526SS..Hα-helixtrans-63.2-38.6175.700000112I186 I187 Q191 E192 V193I186-A189 PolarHBondContact O-N 2.66Å; I186-A189 VanDerWaalsContact O-N 3.15Å; I187-A189 VanDerWaalsContact C-N 3.33Å; I187-A189 PolarHBondContact O-N 2.97Å; A189-Q191 VanDerWaalsContact C-N 3.35Å; A189-E192 PolarHBondContact O-N 3.48Å; A189-V193 WeakPolarHBondContact O-CG2 3.44Å; A189-V193 PolarHBondContact O-N 2.98Å
190I95Very high92.2Very high98 Ų98101.7 Ų101.750%0.50353%0.532SS..Hα-helixtrans-65.2-40.1173.1-65.9172.5000110.9I186 I187 P188 V193 Q194I186-I190 HydrophobicContact CG2-CD1 3.74Å; I186-I190 HydrophobicContact CG2-CG1 3.94Å; I186-I190 PolarHBondContact O-N 2.96Å; I187-I190 PolarHBondContact O-N 3.47Å; I187-I190 VanDerWaalsContact O-N 3.16Å; P188-I190 VanDerWaalsContact C-N 3.33Å; P188-I190 PolarHBondContact O-N 3.28Å; I190-V193 PolarHBondContact O-N 3.44Å; I190-Q194 WeakPolarHBondContact O-CB 3.25Å; I190-Q194 PolarHBondContact O-N 2.98Å
191Q95Very high91.7Very high107 Ų107101.7 Ų101.750%0.553%0.534SS..Hα-helixtrans-64.1-41177.4-72.4174.5-13.400111.7I187 P188 A189 Q194 I195I187-Q191 HydrophobicContact CG2-CG 4.25Å; I187-Q191 WeakPolarHBondContact O-CG 3.43Å; I187-Q191 PolarHBondContact O-N 2.92Å; P188-Q191 WeakPolarHBondContact O-CB 3.34Å; P188-Q191 PolarHBondContact O-N 2.91Å; P188-Q191 VanDerWaalsContact O-N 3.12Å; A189-Q191 VanDerWaalsContact C-N 3.35Å; Q191-Q194 WeakPolarHBondContact O-CB 3.44Å; Q191-Q194 PolarHBondContact O-N 2.88Å; Q191-I195 VanDerWaalsContact O-CG1 3.27Å; Q191-I195 WeakPolarHBondContact O-CG1 3.33Å; Q191-I195 PolarHBondContact O-N 3.43Å
192E93.6Very high91.3Very high128 Ų128100.5 Ų100.560%0.59853%0.53SS*.Hα-helixtrans-57.4-50.9173.3-73.2174.4-175.400111.2P188 A189 Q194 I195 D196P188-E192 WeakPolarHBondContact O-CG 3.48Å; P188-E192 PolarHBondContact O-N 3.48Å; A189-E192 PolarHBondContact O-N 3.48Å; E192-Q194 PolarHBondContact O-N 2.97Å; E192-I195 PolarHBondContact O-N 3.37Å; E192-I195 VanDerWaalsContact O-N 3.11Å; E192-D196 PolarHBondContact O-N 3.45Å
193V93.1Very high91.1Very high102 Ų102101 Ų10162%0.61854%0.537SS*.Hα-helixtrans-60.1-35.7176.2174.80000111.8A189 I190 R197A189-V193 WeakPolarHBondContact O-CG2 3.44Å; A189-V193 PolarHBondContact O-N 2.98Å; I190-V193 PolarHBondContact O-N 3.44Å; V193-R197 PolarHBondContact O-N 3.26Å; V193-R197 VanDerWaalsContact O-N 3.09Å
194Q92.1Very high90.9Very high128 Ų128105.2 Ų105.260%0.59855%0.546SS*.Hα-helixtrans-70.2-37.6177-175.3172.6-18.600112.4I190 Q191 E192 R197I190-Q194 WeakPolarHBondContact O-CB 3.25Å; I190-Q194 PolarHBondContact O-N 2.98Å; Q191-Q194 WeakPolarHBondContact O-CB 3.44Å; Q191-Q194 PolarHBondContact O-N 2.88Å; E192-Q194 PolarHBondContact O-N 2.97Å; Q194-R197 WeakPolarHBondContact O-CB 3.21Å; Q194-R197 PolarHBondContact O-N 3.22Å
195I90.9Very high90.7Very high111 Ų111104.5 Ų104.557%0.56954%0.538SS*.Hα-helixtrans-66.4-44.7174.7-68.7163.1000109.9Q191 E192 R197 L198 G199Q191-I195 VanDerWaalsContact O-CG1 3.27Å; Q191-I195 WeakPolarHBondContact O-CG1 3.33Å; Q191-I195 PolarHBondContact O-N 3.43Å; E192-I195 PolarHBondContact O-N 3.37Å; E192-I195 VanDerWaalsContact O-N 3.11Å; I195-R197 PolarHBondContact O-N 2.96Å; I195-L198 WeakPolarHBondContact O-CB 3.26Å; I195-L198 PolarHBondContact O-N 3.38Å; I195-G199 PolarHBondContact O-N 2.88Å
196D88.1Confident90.4Very high99 Ų99101.4 Ų101.453%0.52953%0.526SS..Hα-helixtrans-57.7-39.5176.3-76.3-11.5000111.6E192 L198 G199 H200E192-D196 PolarHBondContact O-N 3.45Å; D196-L198 VanDerWaalsContact C-N 3.25Å; D196-L198 PolarHBondContact O-N 3.18Å; D196-G199 WeakPolarHBondContact O-CA 3.44Å; D196-G199 PolarHBondContact O-N 3.06Å; D196-H200 PolarHBondContact O-CD2 3.14Å; D196-H200 PolarHBondContact O-N 3.19Å
197R87.7Confident90.3Very high195 Ų195100.6 Ų100.674%0.73652%0.523SS*.Hα-helixtrans-58.1-34176.1-171.6175.6179.7164.61.9113.4V193 Q194 I195 G199 H200V193-R197 PolarHBondContact O-N 3.26Å; V193-R197 VanDerWaalsContact O-N 3.09Å; Q194-R197 WeakPolarHBondContact O-CB 3.21Å; Q194-R197 PolarHBondContact O-N 3.22Å; I195-R197 PolarHBondContact O-N 2.96Å; R197-G199 VanDerWaalsContact C-N 3.31Å; R197-H200 PolarHBondContact O-N 3.25Å; R197-H200 VanDerWaalsContact O-N 3.13Å
198L83.5Confident90.2Very high110 Ų110101.5 Ų101.558%0.57653%0.525SS*.Hα-helixtrans-68-33.3175.5-61.8173.5000111.5I195 D196 H200 E201I195-L198 WeakPolarHBondContact O-CB 3.26Å; I195-L198 PolarHBondContact O-N 3.38Å; D196-L198 VanDerWaalsContact C-N 3.25Å; D196-L198 PolarHBondContact O-N 3.18Å; L198-H200 PolarHBondContact O-N 3.33Å; L198-E201 WeakPolarHBondContact O-CG 3.47Å; L198-E201 PolarHBondContact O-N 3.1Å
199G80.3Confident90.1Very high60 Ų60103 Ų10362%0.61953%0.528SS*.Hα-helixtrans-67.4-17.7171.800000113.6I195 D196 R197I195-G199 PolarHBondContact O-N 2.88Å; D196-G199 WeakPolarHBondContact O-CA 3.44Å; D196-G199 PolarHBondContact O-N 3.06Å; R197-G199 VanDerWaalsContact C-N 3.31Å
200H83.7Confident90Very high102 Ų102102.4 Ų102.447%0.47252%0.524SS..THydrogen-bonded Turntrans-93.411.6179.5-61.6-59.4000115D196 R197 L198 D202 L206D196-H200 PolarHBondContact O-CD2 3.14Å; D196-H200 PolarHBondContact O-N 3.19Å; R197-H200 PolarHBondContact O-N 3.25Å; R197-H200 VanDerWaalsContact O-N 3.13Å; L198-H200 PolarHBondContact O-N 3.33Å; H200-D202 VanDerWaalsContact C-N 3.28Å; H200-D202 PolarHBondContact O-N 3.3Å; H200-L206 HydrophobicContact CB-CD1 4Å; H200-L206 WeakPolarHBondContact ND1-CD1 3.43Å
201E83.4Confident90Very high152 Ų152104.6 Ų104.671%0.7153%0.526SS*.SBendtrans-65.1-28.6177.9-72.2-178.9178.400113.6L198 D203L198-E201 WeakPolarHBondContact O-CG 3.47Å; L198-E201 PolarHBondContact O-N 3.1Å; E201-D203 PolarHBondContact O-N 2.87Å
202D88.1Confident90.1Very high75 Ų75105.1 Ų105.140%0.40153%0.526SS..  trans-97.980.7179.5-173.25.4000112.3H200 F204 T205 L206H200-D202 VanDerWaalsContact C-N 3.28Å; H200-D202 PolarHBondContact O-N 3.3Å; D202-F204 PolarHBondContact O-N 3.23Å; D202-F204 VanDerWaalsContact O-N 3.12Å; D202-F204 PolarHBondContact OD1-N 3.37Å; D202-T205 WeakPolarHBondContact CB-OG1 3.41Å; D202-T205 PolarHBondContact O-N 3.49Å; D202-T205 PolarHBondContact O-OG1 3.41Å; D202-T205 PolarHBondContact OD1-N 2.77Å; D202-T205 WeakPolarHBondContact OD2-CB 3.47Å; D202-T205 WeakPolarHBondContact OD2-CG2 3.42Å; D202-T205 PolarHBondContact OD2-OG1 3.35Å; D202-L206 PolarHBondContact O-N 2.85Å
203D89.4Confident90.3Very high114 Ų114105.9 Ų105.961%0.6153%0.528SS*.Hα-helixtrans-52.6-33175.7-71.6-23.6000112.8E201 N207E201-D203 PolarHBondContact O-N 2.87Å; D203-N207 VanDerWaalsContact O-CB 3.25Å; D203-N207 WeakPolarHBondContact O-CB 3.11Å; D203-N207 VanDerWaalsContact O-CG 3.31Å; D203-N207 PolarHBondContact O-N 3.02Å; D203-N207 PolarHBondContact O-ND2 3.09Å
204F91Very high90.4Very high144 Ų144108.5 Ų108.563%0.63253%0.531SS*.Hα-helixtrans-71-47.2-174.9179.1-94.2000111.4D202 N207 Q208D202-F204 PolarHBondContact O-N 3.23Å; D202-F204 VanDerWaalsContact O-N 3.12Å; D202-F204 PolarHBondContact OD1-N 3.37Å; F204-N207 PolarHBondContact O-N 3.04Å; F204-Q208 WeakPolarHBondContact O-CB 3.25Å; F204-Q208 PolarHBondContact O-N 3.04Å
205T91Very high90.5Very high51 Ų51109.7 Ų109.731%0.31353%0.53SS..Hα-helixtrans-68-39179.451.90000112D202 Q208 I209D202-T205 WeakPolarHBondContact CB-OG1 3.41Å; D202-T205 PolarHBondContact O-N 3.49Å; D202-T205 PolarHBondContact O-OG1 3.41Å; D202-T205 PolarHBondContact OD1-N 2.77Å; D202-T205 WeakPolarHBondContact OD2-CB 3.47Å; D202-T205 WeakPolarHBondContact OD2-CG2 3.42Å; D202-T205 PolarHBondContact OD2-OG1 3.35Å; T205-Q208 WeakPolarHBondContact O-CB 3.37Å; T205-Q208 PolarHBondContact O-N 2.81Å; T205-I209 VanDerWaalsContact O-CG1 3.31Å; T205-I209 WeakPolarHBondContact O-CG1 3.47Å; T205-I209 PolarHBondContact O-N 2.95Å
206L90.3Very high90.8Very high63 Ų63109 Ų10933%0.3352%0.524SS..Hα-helixtrans-60.8-47.3174.3-68.1177.9000112.2H200 D202 Q208 I209 A210H200-L206 HydrophobicContact CB-CD1 4Å; H200-L206 WeakPolarHBondContact ND1-CD1 3.43Å; D202-L206 PolarHBondContact O-N 2.85Å; L206-Q208 VanDerWaalsContact C-N 3.28Å; L206-Q208 PolarHBondContact O-N 3.12Å; L206-I209 PolarHBondContact O-N 3.26Å; L206-A210 WeakPolarHBondContact O-CB 3.39Å; L206-A210 PolarHBondContact O-N 3.25Å
207N92.8Very high91.1Very high80 Ų80106.8 Ų106.843%0.42852%0.52SS..Hα-helixtrans-63.4-35.6175.1-81.2-55.5000112.1D203 F204 R211D203-N207 VanDerWaalsContact O-CB 3.25Å; D203-N207 WeakPolarHBondContact O-CB 3.11Å; D203-N207 VanDerWaalsContact O-CG 3.31Å; D203-N207 PolarHBondContact O-N 3.02Å; D203-N207 PolarHBondContact O-ND2 3.09Å; F204-N207 PolarHBondContact O-N 3.04Å; N207-R211 VanDerWaalsContact O-CB 3.31Å; N207-R211 WeakPolarHBondContact O-CB 3.47Å; N207-R211 WeakPolarHBondContact O-CD 3.3Å; N207-R211 WeakPolarHBondContact O-CG 3.19Å; N207-R211 PolarHBondContact O-N 2.77Å
208Q93.8Very high91.5Very high102 Ų102103.8 Ų103.848%0.47751%0.512SS..Hα-helixtrans-63.8-45.4175.3-174.3-176.721.400111.5F204 T205 L206 R211 K212F204-Q208 WeakPolarHBondContact O-CB 3.25Å; F204-Q208 PolarHBondContact O-N 3.04Å; T205-Q208 WeakPolarHBondContact O-CB 3.37Å; T205-Q208 PolarHBondContact O-N 2.81Å; L206-Q208 VanDerWaalsContact C-N 3.28Å; L206-Q208 PolarHBondContact O-N 3.12Å; Q208-R211 PolarHBondContact O-N 3.48Å; Q208-K212 WeakPolarHBondContact O-CB 3.31Å; Q208-K212 PolarHBondContact O-N 3.07Å
209I94Very high92.1Very high91 Ų91104.4 Ų104.447%0.46751%0.51SS..Hα-helixtrans-63.1-48.7177.1-67.5164.3000110.1T205 L206 R211 K212 K213T205-I209 VanDerWaalsContact O-CG1 3.31Å; T205-I209 WeakPolarHBondContact O-CG1 3.47Å; T205-I209 PolarHBondContact O-N 2.95Å; L206-I209 PolarHBondContact O-N 3.26Å; I209-R211 PolarHBondContact O-N 3.07Å; I209-K212 WeakPolarHBondContact O-CB 3.46Å; I209-K212 PolarHBondContact O-N 2.69Å; I209-K212 VanDerWaalsContact O-N 3.13Å; I209-K213 HydrophobicContact CG2-CD 4.47Å; I209-K213 PolarHBondContact O-N 3.5Å
210A94.1Very high92.7Very high38 Ų38107.7 Ų107.731%0.31451%0.509SS..Hα-helixtrans-56.7-50.5177.500000111L206 K212 K213 F214L206-A210 WeakPolarHBondContact O-CB 3.39Å; L206-A210 PolarHBondContact O-N 3.25Å; A210-K212 VanDerWaalsContact C-N 3.3Å; A210-K212 PolarHBondContact O-N 3.09Å; A210-K213 PolarHBondContact O-N 2.87Å; A210-F214 WeakPolarHBondContact O-CD2 3.5Å; A210-F214 PolarHBondContact O-N 3.44Å
211R94.8Very high93Very high145 Ų145106 Ų10655%0.54751%0.509SS..Hα-helixtrans-62-35.3177-70.3170.1-170.7179.14.4112.7N207 Q208 I209 R215N207-R211 VanDerWaalsContact O-CB 3.31Å; N207-R211 WeakPolarHBondContact O-CB 3.47Å; N207-R211 WeakPolarHBondContact O-CD 3.3Å; N207-R211 WeakPolarHBondContact O-CG 3.19Å; N207-R211 PolarHBondContact O-N 2.77Å; Q208-R211 PolarHBondContact O-N 3.48Å; I209-R211 PolarHBondContact O-N 3.07Å; R211-R215 WeakPolarHBondContact O-CB 3.49Å; R211-R215 VanDerWaalsContact O-CG 3.28Å; R211-R215 WeakPolarHBondContact O-CG 3.44Å; R211-R215 PolarHBondContact O-N 2.93Å; R211-R215 PolarHBondContact O-NE 2.86Å
212K96.7Very high93.5Very high118 Ų118103.5 Ų103.551%0.51350%0.497SS..Hα-helixtrans-64.8-49.6175.9-175.7179.5170.8-175.70110.7Q208 I209 A210 F214 R215 E216Q208-K212 WeakPolarHBondContact O-CB 3.31Å; Q208-K212 PolarHBondContact O-N 3.07Å; I209-K212 WeakPolarHBondContact O-CB 3.46Å; I209-K212 PolarHBondContact O-N 2.69Å; I209-K212 VanDerWaalsContact O-N 3.13Å; A210-K212 VanDerWaalsContact C-N 3.3Å; A210-K212 PolarHBondContact O-N 3.09Å; K212-F214 VanDerWaalsContact C-N 3.35Å; K212-F214 PolarHBondContact O-N 3.36Å; K212-R215 PolarHBondContact O-N 2.97Å; K212-R215 VanDerWaalsContact O-N 3.13Å; K212-E216 WeakPolarHBondContact CE-OE1 3.44Å; K212-E216 IonicContact NZ-OE1 3.18Å; K212-E216 WeakPolarHBondContact O-CG 3.5Å; K212-E216 PolarHBondContact O-N 2.71Å
213K96.5Very high93.8Very high143 Ų143103.8 Ų103.862%0.62250%0.497SS*.Hα-helixtrans-55.7-47.1175.4-70.5-176.8178-176.50111.7I209 A210 R215 E216 A217I209-K213 HydrophobicContact CG2-CD 4.47Å; I209-K213 PolarHBondContact O-N 3.5Å; A210-K213 PolarHBondContact O-N 2.87Å; K213-R215 PolarHBondContact O-N 3.27Å; K213-E216 PolarHBondContact O-N 3.31Å; K213-A217 WeakPolarHBondContact O-CB 3.48Å; K213-A217 PolarHBondContact O-N 2.92Å
214F95.4Very high93.7Very high158 Ų158100.8 Ų100.869%0.69348%0.479SS*.Hα-helixtrans-62.8-38.6176.8-80.2-66.2000113.3A210 K212 K218A210-F214 WeakPolarHBondContact O-CD2 3.5Å; A210-F214 PolarHBondContact O-N 3.44Å; K212-F214 VanDerWaalsContact C-N 3.35Å; K212-F214 PolarHBondContact O-N 3.36Å; F214-K218 WeakPolarHBondContact O-CB 3.21Å; F214-K218 PolarHBondContact O-N 3.48Å
215R95.7Very high93.7Very high152 Ų15298.5 Ų98.557%0.57447%0.473SS*.Hα-helixtrans-67.5-41.7176.9-78.3-179-71.9-126.41.2112.4R211 K212 K213 K219R211-R215 WeakPolarHBondContact O-CB 3.49Å; R211-R215 VanDerWaalsContact O-CG 3.28Å; R211-R215 WeakPolarHBondContact O-CG 3.44Å; R211-R215 PolarHBondContact O-N 2.93Å; R211-R215 PolarHBondContact O-NE 2.86Å; K212-R215 PolarHBondContact O-N 2.97Å; K212-R215 VanDerWaalsContact O-N 3.13Å; K213-R215 PolarHBondContact O-N 3.27Å; R215-K219 WeakPolarHBondContact O-CB 3.19Å; R215-K219 PolarHBondContact O-N 2.88Å
216E96.5Very high93.7Very high97 Ų97101 Ų10145%0.45349%0.487SS..Hα-helixtrans-66.4-47.6177.4-72.6171.4175.600111.1K212 K213 K218 K219 Q220K212-E216 WeakPolarHBondContact CE-OE1 3.44Å; K212-E216 IonicContact NZ-OE1 3.18Å; K212-E216 WeakPolarHBondContact O-CG 3.5Å; K212-E216 PolarHBondContact O-N 2.71Å; K213-E216 PolarHBondContact O-N 3.31Å; E216-K218 VanDerWaalsContact C-N 3.35Å; E216-K218 PolarHBondContact O-N 2.88Å; E216-K219 PolarHBondContact O-N 2.8Å; E216-Q220 WeakPolarHBondContact O-CG 3.43Å; E216-Q220 PolarHBondContact O-N 2.84Å
217A95.2Very high93.7Very high52 Ų52103.4 Ų103.443%0.4349%0.492SS..Hα-helixtrans-60.5-42.8175.700000112K213 Q220 S221K213-A217 WeakPolarHBondContact O-CB 3.48Å; K213-A217 PolarHBondContact O-N 2.92Å; A217-Q220 PolarHBondContact O-N 2.82Å; A217-S221 WeakPolarHBondContact O-CB 3.34Å; A217-S221 PolarHBondContact O-N 3.42Å
218K95.6Very high93.5Very high133 Ų133101 Ų10158%0.57848%0.479SS*.Hα-helixtrans-60.7-45.2174.8179.6172.9174.4173.30111.8F214 E216 Q220 S221 E222F214-K218 WeakPolarHBondContact O-CB 3.21Å; F214-K218 PolarHBondContact O-N 3.48Å; E216-K218 VanDerWaalsContact C-N 3.35Å; E216-K218 PolarHBondContact O-N 2.88Å; K218-Q220 PolarHBondContact O-N 2.79Å; K218-S221 PolarHBondContact O-N 3.31Å; K218-E222 WeakPolarHBondContact CE-OE1 3.43Å; K218-E222 HydrophobicContact CG-CG 4.47Å; K218-E222 IonicContact NZ-OE1 3.33Å; K218-E222 WeakPolarHBondContact O-CB 3.39Å; K218-E222 WeakPolarHBondContact O-CG 3.38Å; K218-E222 PolarHBondContact O-N 3.01Å
219K96.3Very high93.2Very high122 Ų122100.1 Ų100.153%0.5348%0.478SS..Hα-helixtrans-61.8-43.5177.3-171.2179.7-174.3-92.20111.8R215 E216 E222 E223R215-K219 WeakPolarHBondContact O-CB 3.19Å; R215-K219 PolarHBondContact O-N 2.88Å; E216-K219 PolarHBondContact O-N 2.8Å; K219-E222 PolarHBondContact O-N 3.37Å; K219-E223 WeakPolarHBondContact CE-OE1 3.46Å; K219-E223 IonicContact NZ-OE1 2.98Å; K219-E223 PolarHBondContact NZ-OE1 3.18Å; K219-E223 WeakPolarHBondContact O-CB 3.38Å; K219-E223 VanDerWaalsContact O-CG 3.29Å; K219-E223 WeakPolarHBondContact O-CG 3.48Å; K219-E223 PolarHBondContact O-N 2.95Å
220Q93.3Very high93.1Very high129 Ų12997.8 Ų97.860%0.60347%0.47SS*.Hα-helixtrans-63.1-43.6177.1-73.1175.3-8.600111.9E216 A217 K218 E223 Q224E216-Q220 WeakPolarHBondContact O-CG 3.43Å; E216-Q220 PolarHBondContact O-N 2.84Å; A217-Q220 PolarHBondContact O-N 2.82Å; K218-Q220 PolarHBondContact O-N 2.79Å; Q220-E223 PolarHBondContact O-N 3.43Å; Q220-Q224 WeakPolarHBondContact O-CB 3.33Å; Q220-Q224 PolarHBondContact O-N 3.16Å
221S90.2Very high92.7Very high68 Ų6899.3 Ų99.348%0.47647%0.472SS..Hα-helixtrans-63.2-44175.6177.10000111.9A217 K218 Q224 L225A217-S221 WeakPolarHBondContact O-CB 3.34Å; A217-S221 PolarHBondContact O-N 3.42Å; K218-S221 PolarHBondContact O-N 3.31Å; S221-Q224 PolarHBondContact O-N 3.32Å; S221-L225 WeakPolarHBondContact O-CB 3.49Å; S221-L225 VanDerWaalsContact O-CG 3.28Å; S221-L225 WeakPolarHBondContact O-CG 3.4Å; S221-L225 PolarHBondContact O-N 2.97Å
222E93.1Very high92.4Very high98 Ų9893.6 Ų93.646%0.45845%0.453SS..Hα-helixtrans-63.1-43.7175.1-74.1173.3176.400111.9K218 K219 Q224 L225 V226K218-E222 WeakPolarHBondContact CE-OE1 3.43Å; K218-E222 HydrophobicContact CG-CG 4.47Å; K218-E222 IonicContact NZ-OE1 3.33Å; K218-E222 WeakPolarHBondContact O-CB 3.39Å; K218-E222 WeakPolarHBondContact O-CG 3.38Å; K218-E222 PolarHBondContact O-N 3.01Å; K219-E222 PolarHBondContact O-N 3.37Å; E222-Q224 VanDerWaalsContact C-N 3.34Å; E222-Q224 PolarHBondContact O-N 3.18Å; E222-L225 PolarHBondContact O-N 3.43Å; E222-V226 WeakPolarHBondContact O-CB 3.39Å; E222-V226 VanDerWaalsContact O-CG2 3.26Å; E222-V226 WeakPolarHBondContact O-CG2 3.44Å; E222-V226 PolarHBondContact O-N 3.08Å
223E93.5Very high91.9Very high82 Ų8292.8 Ų92.838%0.38345%0.454SS..Hα-helixtrans-63.7-38175.9-75.6173-171.400112.3K219 Q220 R227K219-E223 WeakPolarHBondContact CE-OE1 3.46Å; K219-E223 IonicContact NZ-OE1 2.98Å; K219-E223 PolarHBondContact NZ-OE1 3.18Å; K219-E223 WeakPolarHBondContact O-CB 3.38Å; K219-E223 VanDerWaalsContact O-CG 3.29Å; K219-E223 WeakPolarHBondContact O-CG 3.48Å; K219-E223 PolarHBondContact O-N 2.95Å; Q220-E223 PolarHBondContact O-N 3.43Å; E223-R227 WeakPolarHBondContact O-CB 3.48Å; E223-R227 WeakPolarHBondContact O-CG 3.46Å; E223-R227 PolarHBondContact O-N 3.36Å; E223-R227 PolarHBondContact O-NE 3.17Å
224Q89Confident91.6Very high51 Ų5195.7 Ų95.724%0.23846%0.461CS..Hα-helixtrans-64.5-51.1174.1-17266.234.200110.3Q220 S221 E222 V226 R227 D228Q220-Q224 WeakPolarHBondContact O-CB 3.33Å; Q220-Q224 PolarHBondContact O-N 3.16Å; S221-Q224 PolarHBondContact O-N 3.32Å; E222-Q224 VanDerWaalsContact C-N 3.34Å; E222-Q224 PolarHBondContact O-N 3.18Å; Q224-V226 VanDerWaalsContact C-N 3.28Å; Q224-V226 PolarHBondContact O-N 3.2Å; Q224-R227 CarbonylContact O-C 3.6Å; Q224-R227 WeakPolarHBondContact O-CA 3.14Å; Q224-R227 WeakPolarHBondContact O-CB 3.19Å; Q224-R227 PolarHBondContact O-N 2.94Å; Q224-D228 PolarHBondContact NE2-OD1 2.79Å; Q224-D228 WeakPolarHBondContact O-CB 3.48Å; Q224-D228 PolarHBondContact O-N 2.9Å
225L89.1Confident91.2Very high95 Ų9593.1 Ų93.150%0.49745%0.454SS..Hα-helixtrans-57.6-39.4176.6-73.2173.6000112.2S221 E222 N229S221-L225 WeakPolarHBondContact O-CB 3.49Å; S221-L225 VanDerWaalsContact O-CG 3.28Å; S221-L225 WeakPolarHBondContact O-CG 3.4Å; S221-L225 PolarHBondContact O-N 2.97Å; E222-L225 PolarHBondContact O-N 3.43Å; L225-N229 WeakPolarHBondContact O-CB 3.4Å; L225-N229 VanDerWaalsContact O-CG 3.24Å; L225-N229 PolarHBondContact O-N 3.11Å; L225-N229 PolarHBondContact O-ND2 3.34Å
226V91.9Very high90.6Very high103 Ų10390.8 Ų90.862%0.62446%0.46SS*.Hα-helixtrans-66-43.1175.6170.40000111.1E222 Q224 S230E222-V226 WeakPolarHBondContact O-CB 3.39Å; E222-V226 VanDerWaalsContact O-CG2 3.26Å; E222-V226 WeakPolarHBondContact O-CG2 3.44Å; E222-V226 PolarHBondContact O-N 3.08Å; Q224-V226 VanDerWaalsContact C-N 3.28Å; Q224-V226 PolarHBondContact O-N 3.2Å; V226-S230 WeakPolarHBondContact O-CB 3.35Å; V226-S230 PolarHBondContact O-N 3.08Å
227R89.6Confident89.9Confident114 Ų11489.3 Ų89.343%0.4346%0.455SS..Hα-helixtrans-62.6-47175.9-80.2-178.6-86.8120.5-0.5111.5E223 Q224 S230 L231E223-R227 WeakPolarHBondContact O-CB 3.48Å; E223-R227 WeakPolarHBondContact O-CG 3.46Å; E223-R227 PolarHBondContact O-N 3.36Å; E223-R227 PolarHBondContact O-NE 3.17Å; Q224-R227 CarbonylContact O-C 3.6Å; Q224-R227 WeakPolarHBondContact O-CA 3.14Å; Q224-R227 WeakPolarHBondContact O-CB 3.19Å; Q224-R227 PolarHBondContact O-N 2.94Å; R227-S230 WeakPolarHBondContact O-CB 3.37Å; R227-S230 PolarHBondContact O-N 2.87Å; R227-S230 VanDerWaalsContact O-N 3.16Å; R227-S230 PolarHBondContact O-OG 3.13Å; R227-L231 PolarHBondContact O-N 2.97Å
228D89.1Confident88.8Confident29 Ų2990.6 Ų90.616%0.15546%0.458CS..Hα-helixtrans-63.1-47.8179.5-64.3-11.8000111.1Q224 S230 L231 L232 L244Q224-D228 PolarHBondContact NE2-OD1 2.79Å; Q224-D228 WeakPolarHBondContact O-CB 3.48Å; Q224-D228 PolarHBondContact O-N 2.9Å; D228-S230 VanDerWaalsContact C-N 3.28Å; D228-S230 PolarHBondContact O-N 3.36Å; D228-L231 WeakPolarHBondContact O-CB 3.38Å; D228-L231 PolarHBondContact O-N 3.49Å; D228-L231 VanDerWaalsContact O-N 3.09Å; D228-L232 WeakPolarHBondContact O-CG 3.5Å; D228-L232 PolarHBondContact O-N 3.09Å; D228-L244 HydrophobicContact CB-CD1 3.79Å
229N87.8Confident87.7Confident84 Ų8488.3 Ų88.345%0.44947%0.472SS..Hα-helixtrans-59.9-39.1174-78.5-51.2000111.7L225 L231 L232 N233L225-N229 WeakPolarHBondContact O-CB 3.4Å; L225-N229 VanDerWaalsContact O-CG 3.24Å; L225-N229 PolarHBondContact O-N 3.11Å; L225-N229 PolarHBondContact O-ND2 3.34Å; N229-L231 VanDerWaalsContact C-N 3.3Å; N229-L231 PolarHBondContact O-N 3.25Å; N229-L232 PolarHBondContact O-N 3.12Å; N229-N233 WeakPolarHBondContact O-CB 3.45Å; N229-N233 VanDerWaalsContact O-CG 3.27Å; N229-N233 PolarHBondContact O-N 3.08Å; N229-N233 PolarHBondContact O-ND2 2.83Å
230S90.9Very high86.5Confident42 Ų4284.9 Ų84.929%0.29446%0.464SS..Hα-helixtrans-64.8-35.2176.483.60000112.4V226 R227 D228 R234V226-S230 WeakPolarHBondContact O-CB 3.35Å; V226-S230 PolarHBondContact O-N 3.08Å; R227-S230 WeakPolarHBondContact O-CB 3.37Å; R227-S230 PolarHBondContact O-N 2.87Å; R227-S230 VanDerWaalsContact O-N 3.16Å; R227-S230 PolarHBondContact O-OG 3.13Å; D228-S230 VanDerWaalsContact C-N 3.28Å; D228-S230 PolarHBondContact O-N 3.36Å; S230-R234 VanDerWaalsContact O-CG 3.31Å; S230-R234 WeakPolarHBondContact O-CG 3.3Å; S230-R234 PolarHBondContact O-N 3.17Å; S230-R234 VanDerWaalsContact O-N 3.08Å
231L87.6Confident85.7Confident70 Ų7088.4 Ų88.437%0.36648%0.48SS..Hα-helixtrans-71.6-45.8176.9-177.4138000111.1R227 D228 N229 N233 R234 L235 L244R227-L231 PolarHBondContact O-N 2.97Å; D228-L231 WeakPolarHBondContact O-CB 3.38Å; D228-L231 PolarHBondContact O-N 3.49Å; D228-L231 VanDerWaalsContact O-N 3.09Å; N229-L231 VanDerWaalsContact C-N 3.3Å; N229-L231 PolarHBondContact O-N 3.25Å; L231-N233 VanDerWaalsContact C-N 3.31Å; L231-N233 PolarHBondContact O-N 3.25Å; L231-R234 PolarHBondContact O-N 3.02Å; L231-L235 HydrophobicContact CD2-CD1 3.59Å; L231-L235 HydrophobicContact CG-CD1 4.06Å; L231-L235 WeakPolarHBondContact O-CG 3.35Å; L231-L235 PolarHBondContact O-N 2.59Å; L231-L244 HydrophobicContact CD2-CD1 4.04Å; L231-L244 HydrophobicContact CD2-CD2 3.96Å
232L87.1Confident85Confident26 Ų2689.1 Ų89.114%0.13648%0.482CS..Hα-helixtrans-57.7-43.2173.5-69.2173.7000111.8D228 N229 L235 S236 L237 T238 L244D228-L232 WeakPolarHBondContact O-CG 3.5Å; D228-L232 PolarHBondContact O-N 3.09Å; N229-L232 PolarHBondContact O-N 3.12Å; L232-L235 CarbonylContact O-C 3.59Å; L232-L235 PolarHBondContact O-N 3.31Å; L232-S236 PolarHBondContact O-N 2.97Å; L232-L237 HydrophobicContact CD2-CB 3.78Å; L232-L237 PolarHBondContact O-N 2.99Å; L232-T238 HydrophobicContact CB-CG2 4.05Å; L232-L244 HydrophobicContact CD1-CD1 3.9Å; L232-L244 HydrophobicContact CD2-CD1 3.62Å; L232-L244 HydrophobicContact CD2-CG 4.11Å; L232-L244 HydrophobicContact CG-CD1 3.47Å; L232-L244 VanDerWaalsContact CG-CD1 3.47Å; L232-L244 HydrophobicContact CG-CG 4.44Å
233N87.2Confident84.4Confident101 Ų10193 Ų9354%0.5450%0.499SS..Hα-helixtrans-61-45.8176-80-56.5000111.6N229 L231 L235 S236 T238N229-N233 WeakPolarHBondContact O-CB 3.45Å; N229-N233 VanDerWaalsContact O-CG 3.27Å; N229-N233 PolarHBondContact O-N 3.08Å; N229-N233 PolarHBondContact O-ND2 2.83Å; L231-N233 VanDerWaalsContact C-N 3.31Å; L231-N233 PolarHBondContact O-N 3.25Å; N233-L235 VanDerWaalsContact C-N 3.28Å; N233-L235 PolarHBondContact O-N 2.78Å; N233-S236 PolarHBondContact O-N 3.25Å; N233-T238 HydrophobicContact CB-CG2 4.27Å; N233-T238 WeakPolarHBondContact OD1-CG2 3.13Å
234R89.4Confident83.9Confident204 Ų20492.4 Ų92.477%0.7750%0.499SS*.Hα-helixtrans-63.4-34.2177.6-74176.4-166.1167.27112.6S230 L231 S236S230-R234 VanDerWaalsContact O-CG 3.31Å; S230-R234 WeakPolarHBondContact O-CG 3.3Å; S230-R234 PolarHBondContact O-N 3.17Å; S230-R234 VanDerWaalsContact O-N 3.08Å; L231-R234 PolarHBondContact O-N 3.02Å; R234-S236 VanDerWaalsContact C-N 3.35Å
235L87.6Confident83.7Confident104 Ų10497 Ų9755%0.54552%0.524SS..THydrogen-bonded Turntrans-88.50179.4-62.6176.4000113.3L231 L232 N233 L237L231-L235 HydrophobicContact CD2-CD1 3.59Å; L231-L235 HydrophobicContact CG-CD1 4.06Å; L231-L235 WeakPolarHBondContact O-CG 3.35Å; L231-L235 PolarHBondContact O-N 2.59Å; L232-L235 CarbonylContact O-C 3.59Å; L232-L235 PolarHBondContact O-N 3.31Å; N233-L235 VanDerWaalsContact C-N 3.28Å; N233-L235 PolarHBondContact O-N 2.78Å; L235-L237 HydrophobicContact CB-CB 4.48Å; L235-L237 HydrophobicContact CB-CD1 3.7Å; L235-L237 HydrophobicContact CB-CG 3.98Å; L235-L237 HydrophobicContact CD1-CD1 3.98Å; L235-L237 PolarHBondContact O-N 3.32Å
236S83.6Confident83.5Confident102 Ų10297.1 Ų97.171%0.71353%0.531SS*.THydrogen-bonded Turntrans55.128.6-174.8-530000114L232 N233 R234 T238L232-S236 PolarHBondContact O-N 2.97Å; N233-S236 PolarHBondContact O-N 3.25Å; R234-S236 VanDerWaalsContact C-N 3.35Å; S236-T238 VanDerWaalsContact C-N 3.35Å
237L81.7Confident83.2Confident66 Ų6699.4 Ų99.435%0.34653%0.534SS..  trans-93.34.6180-72.1168.2000112.7L232 L235 G239 S240L232-L237 HydrophobicContact CD2-CB 3.78Å; L232-L237 PolarHBondContact O-N 2.99Å; L235-L237 HydrophobicContact CB-CB 4.48Å; L235-L237 HydrophobicContact CB-CD1 3.7Å; L235-L237 HydrophobicContact CB-CG 3.98Å; L235-L237 HydrophobicContact CD1-CD1 3.98Å; L235-L237 PolarHBondContact O-N 3.32Å; L237-G239 PolarHBondContact O-N 3.05Å; L237-S240 WeakPolarHBondContact O-CB 3.27Å; L237-S240 PolarHBondContact O-N 2.86Å; L237-S240 PolarHBondContact O-OG 3.43Å
238T72.4Confident83.2Confident80 Ų8097.3 Ų97.349%0.49153%0.534SS..THydrogen-bonded Turntrans-62.6104.3176.751.30000110.2L232 N233 S236L232-T238 HydrophobicContact CB-CG2 4.05Å; N233-T238 HydrophobicContact CB-CG2 4.27Å; N233-T238 WeakPolarHBondContact OD1-CG2 3.13Å; S236-T238 VanDerWaalsContact C-N 3.35Å
239G72.5Confident83.3Confident85 Ų85102.5 Ų102.588%0.87656%0.562SS**THydrogen-bonded Turntrans106.6-2.8-175.900000114.9L237L237-G239 PolarHBondContact O-N 3.05Å
240S70.4Confident83.4Confident50 Ų50104 Ų10435%0.3557%0.571SS.*SBendtrans-76.5152.216668.50000110.6L237 V242L237-S240 WeakPolarHBondContact O-CB 3.27Å; L237-S240 PolarHBondContact O-N 2.86Å; L237-S240 PolarHBondContact O-OG 3.43Å; S240-V242 PolarHBondContact O-N 2.83Å
241Q76.7Confident83.3Confident202 Ų202106 Ų10694%0.94458%0.577SS**SBendtrans-7322177.9-68.2147.9-23.800113
242V75.7Confident83.3Confident84 Ų84104.7 Ų104.751%0.50957%0.574SS.*  trans-95.8106.3-174.5-175.80000109S240S240-V242 PolarHBondContact O-N 2.83Å
243E79Confident83.4Confident178 Ų178106.8 Ų106.883%0.83259%0.589SS**PPolyproline II helixtrans-78.6126171.5-65.9-178.4173.200109.8L245E243-L245 PolarHBondContact O-N 3.31Å
244L83Confident83.5Confident70 Ų70107.5 Ų107.537%0.36659%0.59SS.*PPolyproline II helixtrans-76.7120.2173.5-79.6161.9000109.2D228 L231 L232D228-L244 HydrophobicContact CB-CD1 3.79Å; L231-L244 HydrophobicContact CD2-CD1 4.04Å; L231-L244 HydrophobicContact CD2-CD2 3.96Å; L232-L244 HydrophobicContact CD1-CD1 3.9Å; L232-L244 HydrophobicContact CD2-CD1 3.62Å; L232-L244 HydrophobicContact CD2-CG 4.11Å; L232-L244 HydrophobicContact CG-CD1 3.47Å; L232-L244 VanDerWaalsContact CG-CD1 3.47Å; L232-L244 HydrophobicContact CG-CG 4.44Å
245L86.3Confident83.4Confident148 Ų148100.7 Ų100.778%0.77558%0.577SS**PPolyproline II helixtrans-77.1153.4171.3-72162.1000110.1E243E243-L245 PolarHBondContact O-N 3.31Å
246P84.5Confident83.4Confident97 Ų97102.2 Ų102.263%0.6358%0.58SS**PPolyproline II helixtrans-60.9139.7173.626.6-34.2000110.6T248P246-T248 PolarHBondContact O-N 3.17Å
247E85.5Confident83.6Confident151 Ų151101.2 Ų101.271%0.70657%0.569SS**PPolyproline II helixtrans-59.4126.6177.3-64.2178.7179.900110.4
248T90.5Very high83.7Confident70 Ų70102.8 Ų102.843%0.42958%0.576SS.*PPolyproline II helixtrans-91.2155.9170.665.20000110.8P246 D250 D251 S252P246-T248 PolarHBondContact O-N 3.17Å; T248-D250 PolarHBondContact O-N 2.94Å; T248-D251 PolarHBondContact N-OD2 2.79Å; T248-D251 WeakPolarHBondContact O-CB 3.38Å; T248-D251 PolarHBondContact O-N 2.7Å; T248-D251 VanDerWaalsContact O-N 3.12Å; T248-D251 PolarHBondContact OG1-N 3.22Å; T248-D251 PolarHBondContact OG1-OD2 2.98Å; T248-S252 PolarHBondContact O-N 3.31Å
249D89.9Confident84.2Confident139 Ų139106.5 Ų106.574%0.74359%0.585SS**Hα-helixtrans-58.5-35.7177.7-76.6-25.6000111.5S252 T253D249-S252 WeakPolarHBondContact O-CB 3.42Å; D249-S252 PolarHBondContact O-N 2.91Å; D249-S252 PolarHBondContact O-OG 2.85Å; D249-T253 WeakPolarHBondContact O-CG2 3.4Å; D249-T253 PolarHBondContact O-N 2.94Å; D249-T253 VanDerWaalsContact O-N 3.16Å
250D90.2Very high84.6Confident116 Ų116107.9 Ų107.962%0.6257%0.572SS**Hα-helixtrans-60.8-45175.7-70.1-24.9000111.6T248 S252 T253 M254T248-D250 PolarHBondContact O-N 2.94Å; D250-S252 PolarHBondContact O-N 2.95Å; D250-T253 PolarHBondContact O-N 2.72Å; D250-T253 PolarHBondContact O-OG1 2.96Å; D250-M254 WeakPolarHBondContact O-CG 3.3Å; D250-M254 PolarHBondContact O-N 2.89Å
251D89.3Confident85Confident82 Ų82107.9 Ų107.944%0.43957%0.57SS.*Hα-helixtrans-56.7-41.1176-61.5-41.4000111.3T248 T253 M254 A255T248-D251 PolarHBondContact N-OD2 2.79Å; T248-D251 WeakPolarHBondContact O-CB 3.38Å; T248-D251 PolarHBondContact O-N 2.7Å; T248-D251 VanDerWaalsContact O-N 3.12Å; T248-D251 PolarHBondContact OG1-N 3.22Å; T248-D251 PolarHBondContact OG1-OD2 2.98Å; D251-T253 VanDerWaalsContact C-N 3.32Å; D251-T253 PolarHBondContact O-N 3.11Å; D251-M254 PolarHBondContact O-N 3.31Å; D251-A255 VanDerWaalsContact O-CB 3.27Å; D251-A255 WeakPolarHBondContact O-CB 3.2Å; D251-A255 PolarHBondContact O-N 3.12Å
252S86.6Confident84.5Confident43 Ų43103 Ų10330%0.30155%0.547SS..Hα-helixtrans-64.3-37.1178.591.10000112.3T248 D249 D250 K256T248-S252 PolarHBondContact O-N 3.31Å; D249-S252 WeakPolarHBondContact O-CB 3.42Å; D249-S252 PolarHBondContact O-N 2.91Å; D249-S252 PolarHBondContact O-OG 2.85Å; D250-S252 PolarHBondContact O-N 2.95Å; S252-K256 WeakPolarHBondContact O-CD 3.21Å; S252-K256 VanDerWaalsContact O-CG 3.29Å; S252-K256 WeakPolarHBondContact O-CG 3.22Å; S252-K256 PolarHBondContact O-N 3.16Å
253T89.9Confident83.9Confident71 Ų71101.6 Ų101.644%0.43654%0.541SS..Hα-helixtrans-72.8-44.6177.968.20000110.9D249 D250 D251 A255 K256 V257D249-T253 WeakPolarHBondContact O-CG2 3.4Å; D249-T253 PolarHBondContact O-N 2.94Å; D249-T253 VanDerWaalsContact O-N 3.16Å; D250-T253 PolarHBondContact O-N 2.72Å; D250-T253 PolarHBondContact O-OG1 2.96Å; D251-T253 VanDerWaalsContact C-N 3.32Å; D251-T253 PolarHBondContact O-N 3.11Å; T253-A255 VanDerWaalsContact C-N 3.34Å; T253-A255 PolarHBondContact O-N 2.94Å; T253-K256 WeakPolarHBondContact O-CB 3.2Å; T253-K256 PolarHBondContact O-N 3.16Å; T253-V257 WeakPolarHBondContact O-CG2 3.32Å; T253-V257 PolarHBondContact O-N 2.84Å
254M89.2Confident82.9Confident115 Ų115100.7 Ų100.757%0.56753%0.534SS*.Hα-helixtrans-62.6-41.6177.7-66.8-172.390.200111.2D250 D251 K256 V257 M258D250-M254 WeakPolarHBondContact O-CG 3.3Å; D250-M254 PolarHBondContact O-N 2.89Å; D251-M254 PolarHBondContact O-N 3.31Å; M254-K256 PolarHBondContact O-N 2.72Å; M254-V257 PolarHBondContact O-N 2.98Å; M254-M258 WeakPolarHBondContact O-CG 3.47Å; M254-M258 PolarHBondContact O-N 3.31Å
255A86.9Confident81.5Confident61 Ų61104.8 Ų104.850%0.50455%0.545SS..Hα-helixtrans-59.9-42.6175.700000112.3D251 T253 M258 F259D251-A255 VanDerWaalsContact O-CB 3.27Å; D251-A255 WeakPolarHBondContact O-CB 3.2Å; D251-A255 PolarHBondContact O-N 3.12Å; T253-A255 VanDerWaalsContact C-N 3.34Å; T253-A255 PolarHBondContact O-N 2.94Å; A255-M258 PolarHBondContact O-N 3.2Å; A255-F259 PolarHBondContact O-N 3.38Å
256K87.8Confident79.8Confident137 Ų137103.9 Ų103.960%0.59654%0.541SS*.Hα-helixtrans-62.5-43.2175.2-71.7164.5-172.3158.70111.6S252 T253 M254 F259 L260S252-K256 WeakPolarHBondContact O-CD 3.21Å; S252-K256 VanDerWaalsContact O-CG 3.29Å; S252-K256 WeakPolarHBondContact O-CG 3.22Å; S252-K256 PolarHBondContact O-N 3.16Å; T253-K256 WeakPolarHBondContact O-CB 3.2Å; T253-K256 PolarHBondContact O-N 3.16Å; M254-K256 PolarHBondContact O-N 2.72Å; K256-F259 PolarHBondContact O-N 2.74Å; K256-L260 WeakPolarHBondContact O-CG 3.45Å; K256-L260 PolarHBondContact O-N 2.87Å; K256-L260 VanDerWaalsContact O-N 3.17Å
257V88.3Confident78.3Confident81 Ų81105.4 Ų105.449%0.49154%0.542SS..Hα-helixtrans-64.2-42.5177175.20000111.1T253 M254 F259 L260 T261T253-V257 WeakPolarHBondContact O-CG2 3.32Å; T253-V257 PolarHBondContact O-N 2.84Å; M254-V257 PolarHBondContact O-N 2.98Å; V257-F259 PolarHBondContact O-N 3.47Å; V257-L260 PolarHBondContact O-N 2.77Å; V257-T261 HydrophobicContact CG1-CG2 4.48Å; V257-T261 WeakPolarHBondContact O-CG2 2.95Å; V257-T261 PolarHBondContact O-N 3.37Å; V257-T261 PolarHBondContact O-OG1 3.14Å
258M84Confident76.7Confident98 Ų98104 Ų10448%0.48354%0.544SS..Hα-helixtrans-63-41.8177.1-72.2-64.2157.500111.9M254 A255 L260 T261 H262M254-M258 WeakPolarHBondContact O-CG 3.47Å; M254-M258 PolarHBondContact O-N 3.31Å; A255-M258 PolarHBondContact O-N 3.2Å; M258-L260 VanDerWaalsContact C-N 3.33Å; M258-L260 PolarHBondContact O-N 2.85Å; M258-T261 WeakPolarHBondContact CA-OG1 3.35Å; M258-T261 PolarHBondContact O-N 3.07Å; M258-T261 PolarHBondContact O-OG1 3.49Å; M258-H262 PolarHBondContact O-N 3.3Å; M258-H262 PolarHBondContact O-ND1 2.93Å
259F82.5Confident75Confident159 Ų159104.1 Ų104.170%0.69755%0.552SS**Hα-helixtrans-60.5-42.4175.7-173.1-97.8000112.2A255 K256 V257 S263A255-F259 PolarHBondContact O-N 3.38Å; K256-F259 PolarHBondContact O-N 2.74Å; V257-F259 PolarHBondContact O-N 3.47Å; F259-S263 PolarHBondContact O-N 3.08Å; F259-S263 VanDerWaalsContact O-N 3.1Å
260L81.2Confident73Confident114 Ų114104 Ų10460%0.59755%0.551SS**Hα-helixtrans-65.1-38.8177.3-69.1170.1000112.8K256 V257 M258 K264K256-L260 WeakPolarHBondContact O-CG 3.45Å; K256-L260 PolarHBondContact O-N 2.87Å; K256-L260 VanDerWaalsContact O-N 3.17Å; V257-L260 PolarHBondContact O-N 2.77Å; M258-L260 VanDerWaalsContact C-N 3.33Å; M258-L260 PolarHBondContact O-N 2.85Å; L260-K264 PolarHBondContact O-N 3Å
261T78.1Confident70.9Confident50 Ų50104.5 Ų104.531%0.30756%0.561SS.*Hα-helixtrans-73.5-37.2179.957.30000112.5V257 M258 K264 R265V257-T261 HydrophobicContact CG1-CG2 4.48Å; V257-T261 WeakPolarHBondContact O-CG2 2.95Å; V257-T261 PolarHBondContact O-N 3.37Å; V257-T261 PolarHBondContact O-OG1 3.14Å; M258-T261 WeakPolarHBondContact CA-OG1 3.35Å; M258-T261 PolarHBondContact O-N 3.07Å; M258-T261 PolarHBondContact O-OG1 3.49Å; T261-K264 PolarHBondContact O-N 3.45Å; T261-R265 PolarHBondContact O-N 3.25Å
262H67.4Low68.9Low100 Ų100107.9 Ų107.946%0.46358%0.578SS.*Hα-helixtrans-68.3-36175.4-73.981.5000112.2M258 K264 R265 N266M258-H262 PolarHBondContact O-N 3.3Å; M258-H262 PolarHBondContact O-ND1 2.93Å; H262-K264 PolarHBondContact O-N 3.14Å; H262-R265 PolarHBondContact O-N 2.88Å; H262-N266 PolarHBondContact O-N 2.81Å
263S62Low67Low54 Ų54112.8 Ų112.838%0.37860%0.601SS.*Hα-helixtrans-62.2-26.6174-172.80000112.9F259 I267F259-S263 PolarHBondContact O-N 3.08Å; F259-S263 VanDerWaalsContact O-N 3.1Å; S263-I267 WeakPolarHBondContact O-CD1 3.04Å
264K58.1Low64.8Low159 Ų159115.6 Ų115.669%0.69162%0.62SS**Hα-helixtrans-82.7-33.8176.1-70.7-175.8179-177.20112.9L260 T261 H262 I267L260-K264 PolarHBondContact O-N 3Å; T261-K264 PolarHBondContact O-N 3.45Å; H262-K264 PolarHBondContact O-N 3.14Å; K264-I267 PolarHBondContact O-N 2.93Å
265R53.3Low62.7Low155 Ų155117.8 Ų117.859%0.58563%0.631SS**Hα-helixtrans-71.5-29.1179.9-71.4-177.4-179.9130.9-1.1113.5T261 H262 I267 T268T261-R265 PolarHBondContact O-N 3.25Å; H262-R265 PolarHBondContact O-N 2.88Å; R265-I267 VanDerWaalsContact C-N 3.29Å; R265-I267 PolarHBondContact O-N 3.19Å; R265-T268 PolarHBondContact O-N 3.32Å; R265-T268 PolarHBondContact O-OG1 3.43Å; R265-T268 VanDerWaalsContact O-OG1 3.1Å
266N51.3Low61Low130 Ų130119.7 Ų119.770%0.69564%0.641SS**THydrogen-bonded Turntrans-76.3-13177.1-73.9-18.3000114.2H262H262-N266 PolarHBondContact O-N 2.81Å
267I52Low59.1Low129 Ų129120.9 Ų120.966%0.66265%0.653SS**THydrogen-bonded Turntrans-78.9-23176.2-63.4169.8000111.1S263 K264 R265S263-I267 WeakPolarHBondContact O-CD1 3.04Å; K264-I267 PolarHBondContact O-N 2.93Å; R265-I267 VanDerWaalsContact C-N 3.29Å; R265-I267 PolarHBondContact O-N 3.19Å
268T52.8Low57.1Low122 Ų122124.5 Ų124.575%0.74867%0.668SS**SBendtrans-99.9-0.8-172.254.50000114.8R265R265-T268 PolarHBondContact O-N 3.32Å; R265-T268 PolarHBondContact O-OG1 3.43Å; R265-T268 VanDerWaalsContact O-OG1 3.1Å
269A53.9Low55.2Low71 Ų71130.5 Ų130.559%0.58769%0.685SS**SBendtrans-116.3-6.1-172.200000115.7
270N48.7Very low53.5Low136 Ų136129.6 Ų129.673%0.72769%0.687SS**  trans-146106.6177.5-86.4-30.7000111.3L272N270-L272 PolarHBondContact O-N 2.89Å; N270-L272 VanDerWaalsContact O-N 3.15Å
271P45.1Very low51.6Low127 Ų127136 Ų13683%0.82570%0.704SS**  trans-88.849.5179.237.3-34.2000111.2
272L48.5Very low49.9Very low154 Ų154140.1 Ų140.181%0.80672%0.724SS**SBendtrans-146.5113.8172.7-66.1174.7000108.8N270N270-L272 PolarHBondContact O-N 2.89Å; N270-L272 VanDerWaalsContact O-N 3.15Å
273N47Very low48.4Very low146 Ų146139.5 Ų139.578%0.78173%0.731SS**  trans83.781.4178-62.8-27.4000119.2M275N273-M275 PolarHBondContact O-N 3.13Å
274P43.1Very low47.4Very low129 Ų129146.1 Ų146.184%0.83876%0.755SS**  trans-9067.2163.236.9-30000110.4
275M44.6Very low46.9Very low162 Ų162144.9 Ų144.980%0.79876%0.761SS**  trans-153.331.9-179.6-104.8-52.8-71.700116.7N273N273-M275 PolarHBondContact O-N 3.13Å
276S51Low46.5Very low101 Ų101143.1 Ų143.171%0.70677%0.77SS**  trans-127-0.6175.162.10000116.6I278S276-I278 VanDerWaalsContact C-N 3.26Å; S276-I278 PolarHBondContact O-N 3.39Å
277L48.5Very low46.1Very low162 Ų162140.8 Ų140.885%0.84877%0.768SS**SBendtrans-90.639.8174.6-85.8139.2000113
278I47Very low45.5Very low157 Ų157140.2 Ų140.281%0.80578%0.776SS**SBendtrans-145.864167.7-49.7176.8000107.9S276S276-I278 VanDerWaalsContact C-N 3.26Å; S276-I278 PolarHBondContact O-N 3.39Å
279R43.3Very low45.2Very low224 Ų224144 Ų14485%0.84578%0.782SS**  trans-157.671.2173.8-159171.4-82.5171.7-5.9113.3
280N46.2Very low44.5Very low139 Ų139146.7 Ų146.774%0.74379%0.791SS**  trans171.776.1133.3-103.3-11.8000111.1
281R41.2Very low44.2Very low250 Ų250149.5 Ų149.594%0.94380%0.797SS**  trans-114.864.7149.9-94.8-175.9169.9167.3-2.9106.9
282N42.6Very low44.2Very low136 Ų136148.7 Ų148.773%0.72779%0.794SS**  trans-100.699.6164.2-79.216.8000105.2
283S36Very low43.6Very low87 Ų87145.9 Ų145.961%0.60879%0.793SS**  9787.183.966.50000110
284H40.3Very low43.3Very low193 Ų193144.1 Ų144.189%0.89479%0.792SS**  trans-154.379.2144.2-93.4-57.5000108.5
285V47.6Very low43.1Very low132 Ų132147.3 Ų147.380%0.879%0.793SS**PPolyproline II helixtrans-85.2117156.5176.90000105.6A287V285-A287 PolarHBondContact O-N 3.22Å
286P46.2Very low42.9Very low119 Ų119143.8 Ų143.877%0.77379%0.789SS**PPolyproline II helixtrans-79117.7161.316.4-2.6000107.6S288P286-S288 PolarHBondContact O-N 3Å
287A41.9Very low42.5Very low81 Ų81145.5 Ų145.567%0.66979%0.791SS**PPolyproline II helixtrans-56.6130.9176.700000111.3V285 K289V285-A287 PolarHBondContact O-N 3.22Å; A287-K289 PolarHBondContact O-N 3.29Å
288S40.4Very low42.1Very low117 Ų117143.7 Ų143.782%0.81878%0.782SS**PPolyproline II helixtrans-55.9119.4161.444.30000109.7P286P286-S288 PolarHBondContact O-N 3Å
289K46.5Very low42Very low202 Ų202142.3 Ų142.388%0.87878%0.775SS**  trans-115.8101.8159.2-84.5-176.2178.9174.50108.4A287A287-K289 PolarHBondContact O-N 3.29Å
290T39.5Very low41.9Very low127 Ų127140.8 Ų140.878%0.77977%0.774SS**  trans-62.4132.5155.244.50000109.2
291K42.7Very low41.7Very low195 Ų195144.1 Ų144.185%0.84878%0.782SS**  trans176.392.4156.5-98.4167.1-171.1-1680106.2
292S43.3Very low41.8Very low109 Ų109137 Ų13776%0.76277%0.771SS**  74.9100.598.865.80000113.6
293A37.4Very low41.9Very low96 Ų96136.5 Ų136.579%0.79377%0.773SS**  trans18.2135.614400000121.3
294S39.7Very low42.2Very low109 Ų109138.4 Ų138.476%0.76278%0.781SS**  trans114.8136.913376.60000118
295K40.4Very low42.5Very low195 Ų195134.3 Ų134.385%0.84877%0.774SS**  trans79.2103.9170.5-66.5175174.7175.70115.4
296A39.1Very low42.3Very low88 Ų88134.4 Ų134.473%0.72778%0.775SS**  66.1136.867.200000113.1
297D42.2Very low42.3Very low138 Ų138137.1 Ų137.174%0.73878%0.782SS**  trans10493166.5-61.6-43.2000119.5
298N40.4Very low42.4Very low124 Ų124143 Ų14366%0.66379%0.793SS**  70.5123.6108.3-82.5-44.5000121.9
299I44.9Very low42.4Very low128 Ų128147 Ų14766%0.65680%0.796SS**  79.6110.1124.9-65.7166.4000119
300K41.7Very low42.4Very low191 Ų191144 Ų14483%0.8379%0.794SS**  158.6106129.1-88.5152.4-169-175.80108.9
301K40.9Very low42.2Very low210 Ų210143.4 Ų143.491%0.91379%0.793SS**  43.2107.576.7-83.6-172-179.4177.80115.4
302S44.7Very low42.1Very low101 Ų101145.2 Ų145.271%0.70679%0.794SS**  trans-179.1107.2144.148.60000108.2
303T43.5Very low41.8Very low125 Ų125147.3 Ų147.377%0.76779%0.793SS**  62131.797.756.50000112.1
304T44Very low41.9Very low126 Ų126147.9 Ų147.977%0.77379%0.792SS**  cis172.8141.128.711.40000106.2
305S44.7Very low42.1Very low108 Ų108151.4 Ų151.476%0.75580%0.798SS**  trans179.392.7137.457.60000112.2
306T44.7Very low42Very low133 Ų133148.5 Ų148.582%0.81679%0.792SS**  trans21.7115.7132.250.30000119.5
307L47Very low42.2Very low176 Ų176149.2 Ų149.292%0.92179%0.792SS**  trans-144.5109142.3-101.4146.8000111.1
308K43.5Very low42.1Very low204 Ų204149.2 Ų149.289%0.88780%0.797SS**  trans-7.2130.8166-65.5170.7178.9177.30120
309K40.4Very low42.1Very low203 Ų203149.4 Ų149.488%0.88380%0.796SS**  trans-60.9143.9161.7-72.7172.4172176.20113
310T45.5Very low41.7Very low139 Ų139153 Ų15385%0.85380%0.803SS**  trans-130.5133.2145.847.20000108.4
311P36.2Very low41.5Very low114 Ų114154.1 Ų154.174%0.7480%0.802SS**  trans-104.4151.2168.136.4-27.2000110.5
312R39.6Very low41.8Very low233 Ų233148.6 Ų148.688%0.87979%0.788SS**  trans138.9134162.9-84.7176.3179.8-161.7-0.6108.6
313M37.7Very low41.3Very low152 Ų152150 Ų15075%0.74980%0.796SS**  cis-154.21374.5-95.1152.771.800106.5
314S39.5Very low41Very low109 Ų109153.4 Ų153.476%0.76280%0.8SS**  trans-61.1126160.846.80000109.2
315M43.2Very low40.8Very low182 Ų182153 Ų15390%0.89780%0.803SS**  trans-97.2105.8159-76-16589.800108.2
316D39.6Very low40.6Very low135 Ų135156.6 Ų156.672%0.72281%0.805SS**  trans1.3114157.5-56.2-34.1000117.6V318D316-V318 PolarHBondContact O-N 3.4Å; D316-V318 VanDerWaalsContact O-N 3.15Å
317S41.5Very low40.4Very low103 Ų103159.5 Ų159.572%0.7281%0.806SS**  trans-56.3110150.654.70000109.2I319S317-I319 PolarHBondContact O-N 3.23Å
318V41Very low39.8Very low138 Ų138157.9 Ų157.984%0.83680%0.797SS**  trans-7098.9166.9177.60000107.6D316 Y320D316-V318 PolarHBondContact O-N 3.4Å; D316-V318 VanDerWaalsContact O-N 3.15Å; V318-Y320 PolarHBondContact O-N 2.94Å; V318-Y320 VanDerWaalsContact O-N 3.08Å
319I40.9Very low39.7Very low127 Ų127156.4 Ų156.465%0.65180%0.798SS**  trans-67.5101.9170-61.6173.2000107.5S317 R321S317-I319 PolarHBondContact O-N 3.23Å; I319-R321 HydrophobicContact CG2-CG 3.88Å; I319-R321 PolarHBondContact O-N 3.26Å
320Y35.4Very low39.7Very low203 Ų203153.6 Ų153.680%0.79679%0.792SS**  trans-69106.5163-172.9-96.8000108.4V318 P322V318-Y320 PolarHBondContact O-N 2.94Å; V318-Y320 VanDerWaalsContact O-N 3.08Å; Y320-P322 HydrophobicContact CE1-CB 4.22Å; Y320-P322 WeakPolarHBondContact O-CD 3.4Å
321R38.9Very low39.2Very low215 Ų215156.5 Ų156.581%0.81179%0.793SS**  trans-91.8110.4169.4-72-171.7175.9-146.4-0.8109.1I319 C323I319-R321 HydrophobicContact CG2-CG 3.88Å; I319-R321 PolarHBondContact O-N 3.26Å; R321-C323 PolarHBondContact O-N 2.86Å
322P46.9Very low39.2Very low95 Ų95157.8 Ų157.862%0.61780%0.803SS**  trans-73.1120.9165.427.2-28.2000109.1Y320 K324Y320-P322 HydrophobicContact CE1-CB 4.22Å; Y320-P322 WeakPolarHBondContact O-CD 3.4Å; P322-K324 PolarHBondContact O-N 2.94Å
323C33.8Very low39Very low131 Ų131150 Ų15089%0.88580%0.795SS**  trans-61.2117.9170.2-105.80000109.7R321 S325R321-C323 PolarHBondContact O-N 2.86Å; C323-S325 PolarHBondContact O-N 2.98Å
324K36.1Very low38.8Very low195 Ų195150.7 Ų150.785%0.84880%0.802SS**  trans-72.2101169.4-68.6-179.1177.5178.90109.5P322P322-K324 PolarHBondContact O-N 2.94Å
325S41.1Very low38.7Very low119 Ų119151.3 Ų151.383%0.83281%0.807SS**  trans-93.4110.615349.40000108.7C323C323-S325 PolarHBondContact O-N 2.98Å
326K40.8Very low38.1Very low182 Ų182146.2 Ų146.279%0.79180%0.801SS**  trans-80153.3170.2-67.9177.3175.4179.40109.5
327K39Very low38Very low195 Ų195147.9 Ų147.985%0.84881%0.808SS**  trans85.9125.1166.6-62.6178.2177.3-179.80113.8
328L36.2Very low37.8Very low141 Ų141151.2 Ų151.274%0.73881%0.812SS**  cis-150.9136.716.3-78111.7000108.9
329I39.6Very low37.4Very low174 Ų174153.9 Ų153.989%0.89282%0.815SS**  trans-133.5121.5151.2-65.8179.8000106.6
330N41.2Very low37.2Very low144 Ų144155.4 Ų155.477%0.7783%0.825SS**  trans-79146.3178.3-81.3-23.1000110.9
331K34.6Very low37.1Very low200 Ų200154.8 Ų154.887%0.8783%0.829SS**  trans-49.5142.9175.6-65.4168.4169-178.10114.3
332C36.4Very low36.9Very low140 Ų140154.1 Ų154.195%0.94683%0.832SS**  -174.8132.5127.2-83.50000104.7
333G35.4Very low36.2Very low70 Ų70154.7 Ų154.772%0.72283%0.834SS**  cis162.4130.37.100000105.2
334D34.7Very low36.2Very low167 Ų167155.7 Ų155.789%0.89383%0.83SS**  trans33.7117.5155.1-58.6-26.6000122.1
335S37.1Very low36.3Very low122 Ų122151.5 Ų151.585%0.85383%0.825SS**  -175.6116.5110.756.30000110.7
336G30.8Very low35.9Very low75 Ų75152.3 Ų152.377%0.77383%0.825SS**  trans-83.6152.2175.500000113.3
337I37.5Very low35.7Very low169 Ų169149 Ų14987%0.86782%0.822SS**  trans-143.6145.1156-60-175.4000107.5
338E37.3Very low35.5Very low174 Ų174146.8 Ų146.881%0.81382%0.82SS**  trans-68.9151.1-154.2-62.4164147.300116.7
339E31.5Very low35.5Very low193 Ų193148.5 Ų148.590%0.90283%0.829SS**  trans-74.5132165.9-62.2174.7163.400109.5
340N37.1Very low35.1Very low159 Ų159149 Ų14985%0.8583%0.825SS**  trans-127113.5161.8-93.1-27.7000109.4
341E34.3Very low34.8Very low190 Ų190147.8 Ų147.889%0.88883%0.827SS**  trans-63.4131.7165.5-72.9177.2132.600110.1
342F33.9Very low34.7Very low201 Ų201144.5 Ų144.588%0.88282%0.818SS**  trans-131.6110.2157.1-158.5-96.6000110.1
343T31.9Very low34.7Very low107 Ų107146.5 Ų146.566%0.65681%0.813SS**  trans-84.8141.5171.450.40000111.1
344L34.5Very low34.5Very low153 Ų153149.1 Ų149.180%0.80182%0.815SS**  trans111.9128.4134.2-136.279.9000118.9
345S36.9Very low34.6Very low107 Ų107147.1 Ų147.175%0.74881%0.809SS**  trans90.197.3144.367.40000119.6
346T33.3Very low34.2Very low135 Ų135148.8 Ų148.883%0.82881%0.808SS**  trans-74.5157.2152.135.40000110.9
347P37.6Very low34.4Very low112 Ų112150.2 Ų150.273%0.72781%0.807SS**  -141.8140.4108.234.6-19.5000115.2
348N33.6Very low34.4Very low149 Ų149147.5 Ų147.580%0.79780%0.802SS**  trans34.3111.2141.1-64.6-26.8000119.6
349L36Very low34.3Very low178 Ų178146 Ų14693%0.93281%0.805SS**  trans-144111.7136.1-100.7119.3000111.9
350F32.2Very low34.6Very low185 Ų185145.7 Ų145.781%0.81180%0.804SS**  trans-48.4134.4154.3-111-113000110.8
351C34.3Very low34.7Very low118 Ų118145.4 Ų145.480%0.79780%0.801SS**  -178.8142.3104-127.20000112.2
352N33Very low34.9Very low130 Ų130142.2 Ų142.270%0.69579%0.794SS**  trans-69.5142.2176.1-56.3-67.2000111.7
353H35.7Very low35.3Very low183 Ų183137.9 Ų137.985%0.84778%0.784SS**  trans-146.5104.3141.4-114.8-70.9000109.8
354V31.7Very low35.6Very low125 Ų125143 Ų14376%0.75879%0.793SS**  trans-90.3125.7157.3170.80000105.6
355T36.5Very low36Very low124 Ų124144.1 Ų144.176%0.76179%0.794SS**  trans-158.1127.3143.742.20000109.4
356D28.8Very low36.1Very low157 Ų157143.9 Ų143.984%0.8479%0.793SS**  trans-44.2144171.4-65.9-59.6000114.7
357S34.5Very low36.7Very low106 Ų106142 Ų14274%0.74179%0.785SS**  trans-158.8111.4137.362.60000111.9
358S37.8Very low36.8Very low111 Ų111144 Ų14478%0.77679%0.79SS**  trans75.7101.1130.5-45.60000119.1E360S358-E360 PolarHBondContact O-N 3.26Å
359V35.8Very low37.3Very low143 Ų143143.8 Ų143.887%0.86779%0.789SS**  trans-34.3117.9151.2-1780000112.2
360E38Very low37.5Very low187 Ų187140.7 Ų140.787%0.87478%0.782SS**  trans-90135163.5-93.1-174161.200111S358S358-E360 PolarHBondContact O-N 3.26Å
361L38.1Very low38.2Very low152 Ų152139.6 Ų139.680%0.79678%0.779SS**  trans-65.4126.9-176.6-127.796.9000111.1T363L361-T363 HydrophobicContact CD2-CG2 4.47Å; L361-T363 PolarHBondContact O-N 2.87Å
362V39.8Very low38.6Very low123 Ų123138.9 Ų138.975%0.74578%0.775SS**  trans-80.9109.7163179.30000108Y364V362-Y364 HydrophobicContact CG1-CD2 4.39Å; V362-Y364 HydrophobicContact CG1-CE2 4.46Å
363T40.8Very low39.2Very low110 Ų110140.1 Ų140.168%0.67578%0.782SS**  trans-85.5116.7167.846.50000109.6L361L361-T363 HydrophobicContact CD2-CG2 4.47Å; L361-T363 PolarHBondContact O-N 2.87Å
364Y39.8Very low39.4Very low215 Ų215138.7 Ų138.784%0.84378%0.779SS**  trans-78.7109.6163.9-92.4-95.1000108.6V362V362-Y364 HydrophobicContact CG1-CD2 4.39Å; V362-Y364 HydrophobicContact CG1-CE2 4.46Å
365E43.1Very low40.1Very low176 Ų176140.3 Ų140.382%0.82278%0.783SS**  trans-91.8100.9160.6-77.8-174.5160.400108.7
366S38.3Very low40.6Very low102 Ų102145 Ų14571%0.71381%0.811SS**  trans-85.6103.8161.845.90000108.4
367S44.9Very low41.2Very low96 Ų96144.4 Ų144.467%0.67181%0.81SS**  trans-104.594167.6-55.30000108.7D369S367-D369 PolarHBondContact O-N 3.06Å
368D40Very low41.5Very low154 Ų154146.4 Ų146.482%0.82481%0.813SS**  trans-74.2100.8161.7-73.1-41.5000108.3
369D43.5Very low41.7Very low144 Ų144148.3 Ų148.377%0.7782%0.815SS**  trans-115.686.6164.6-81.7-35.7000109.7S367 H371S367-D369 PolarHBondContact O-N 3.06Å; D369-H371 PolarHBondContact O-N 3.42Å
370S41Very low42.1Very low113 Ų113148.6 Ų148.679%0.7981%0.812SS**  trans-73.2101.4160.656.90000109.4
371H47.5Very low42.4Very low163 Ų163146.3 Ų146.376%0.75581%0.808SS**  trans-118.898.9159-94.4-58.1000110.5D369 N373D369-H371 PolarHBondContact O-N 3.42Å; H371-N373 PolarHBondContact O-N 2.79Å
372S42Very low42.6Very low103 Ų103145.9 Ų145.972%0.7281%0.809SS**  trans-61.2116157.651.30000109.5
373N45.8Very low42.8Very low155 Ų155147.5 Ų147.583%0.82981%0.814SS**  trans-119.1104.8155.9-86.9-27.7000107.8H371H371-N373 PolarHBondContact O-N 2.79Å
374I39.5Very low43Very low154 Ų154150.4 Ų150.479%0.7982%0.824SS**  trans-89.2119159.1-70161.7000104.3
375D47.2Very low43.3Very low158 Ų158145 Ų14585%0.84582%0.823SS**  trans-166.8121151-92-27.9000110
376V46.3Very low43.3Very low222 Ų222142.2 Ų142.2100%1.34582%0.823SS**  trans132.60165.2177.30000111.6

Retrieved 376 of 376 residues in 133.7 ms (Link to these results)