A0A077Z7E0_TRITR Loading...

KH 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7E0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 251 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
1M43Very low53.6Low233 Ų233159.5 Ų159.5100%1.14883%0.826SS**  0134.40-74.4-178175.200106.9
2F51Low54Low217 Ų217162.3 Ų162.395%0.95283%0.828SS**  trans84.285.5-165.2-54.1-71.3000114.6
3A49.7Very low54.7Low86 Ų86156.3 Ų156.371%0.71181%0.809SS**  trans-91.7130.8171.200000110.3
4D48.2Very low54.8Low151 Ų151156.9 Ų156.981%0.80781%0.806SS**  trans35112.9132.3-49.7-37.3000119.5
5N56.2Low54.5Low173 Ų173154.7 Ų154.793%0.92581%0.806SS**  trans-140.687.5150.5-94.7-47.2000108.4
6F50Low54.5Low190 Ų190151.3 Ų151.383%0.83381%0.807SS**  trans-84.3108.4170-146.5-93.9000106.9E8F6-E8 PolarHBondContact O-N 3.27Å
7A60.2Low54.5Low86 Ų86147.6 Ų147.671%0.71180%0.803SS**  trans-69.1115.3175.900000109.3
8E55Low54Low188 Ų188149.3 Ų149.388%0.87981%0.81SS**PPolyproline II helixtrans-56.2131.1173.7-75.8171.8138.800111.1F6F6-E8 PolarHBondContact O-N 3.27Å
9Y59.4Low54.1Low210 Ų210149.5 Ų149.582%0.82481%0.809SS**PPolyproline II helixtrans-76.4135.2167.7-76.6-89000109.2D11Y9-D11 PolarHBondContact O-N 3.1Å
10P59.8Low54Low99 Ų99147.2 Ų147.264%0.64380%0.802SS**PPolyproline II helixtrans-67.9130.6177.327.6-32.3000110.6F12P10-F12 VanDerWaalsContact O-CD2 3.32Å; P10-F12 WeakPolarHBondContact O-CD2 3.17Å; P10-F12 WeakPolarHBondContact O-CE2 3.5Å
11D56.8Low53.5Low122 Ų122146.8 Ų146.865%0.65281%0.807SS**PPolyproline II helixtrans-71.3122176.5-179.79.7000111Y9 S13Y9-D11 PolarHBondContact O-N 3.1Å; D11-S13 VanDerWaalsContact C-N 3.29Å; D11-S13 PolarHBondContact O-N 3.31Å; D11-S13 VanDerWaalsContact OD1-CB 3.26Å; D11-S13 WeakPolarHBondContact OD1-CB 3.31Å; D11-S13 PolarHBondContact OD1-N 3.1Å; D11-S13 VanDerWaalsContact OD1-N 3.15Å; D11-S13 PolarHBondContact OD1-OG 3.06Å; D11-S13 PolarHBondContact OD2-OG 3.06Å
12F58.8Low53.7Low193 Ų193139.3 Ų139.385%0.84679%0.789SS**  trans-87.514.7-177.2-74.1-85.5000113.7P10P10-F12 VanDerWaalsContact O-CD2 3.32Å; P10-F12 WeakPolarHBondContact O-CD2 3.17Å; P10-F12 WeakPolarHBondContact O-CE2 3.5Å
13S63.5Low53.1Low84 Ų84137.5 Ų137.559%0.58778%0.784SS**  trans-87.80.5-172.1690000115.8D11D11-S13 VanDerWaalsContact C-N 3.29Å; D11-S13 PolarHBondContact O-N 3.31Å; D11-S13 VanDerWaalsContact OD1-CB 3.26Å; D11-S13 WeakPolarHBondContact OD1-CB 3.31Å; D11-S13 PolarHBondContact OD1-N 3.1Å; D11-S13 VanDerWaalsContact OD1-N 3.15Å; D11-S13 PolarHBondContact OD1-OG 3.06Å; D11-S13 PolarHBondContact OD2-OG 3.06Å
14Q56.2Low52.6Low165 Ų165139 Ų13977%0.77179%0.786SS**SBendtrans-97.1135.2-178.9-63.1-172.210.100112.8A16Q14-A16 PolarHBondContact O-N 2.85Å
15P50.1Low52.5Low124 Ų124135.9 Ų135.981%0.80578%0.781SS**  trans-67.4132.9-18029.3-32.9000109.7A17P15-A17 PolarHBondContact O-N 2.79Å
16A54.4Low51.8Low99 Ų99136.5 Ų136.582%0.81878%0.778SS**  trans-53.1112.6179.300000110.8Q14 L18Q14-A16 PolarHBondContact O-N 2.85Å; A16-L18 PolarHBondContact O-N 3.5Å
17A54.2Low51.7Low89 Ų89130.1 Ų130.174%0.73676%0.755SS**  trans-59.8127.7172.700000109.6P15 I19P15-A17 PolarHBondContact O-N 2.79Å; A17-I19 PolarHBondContact O-N 2.93Å; A17-I19 VanDerWaalsContact O-N 3.14Å
18L45.5Very low51.6Low179 Ų179132.4 Ų132.494%0.93775%0.751SS**  trans-60109.2173.6-79.5151.3000109.8A16A16-L18 PolarHBondContact O-N 3.5Å
19I56.5Low52.2Low152 Ų152128.2 Ų128.278%0.77974%0.74SS**PPolyproline II helixtrans-83.4125.1173.9-59172.7000108.4A17A17-I19 PolarHBondContact O-N 2.93Å; A17-I19 VanDerWaalsContact O-N 3.14Å
20P51.2Low52.3Low104 Ų104122.3 Ų122.368%0.67572%0.723SS**PPolyproline II helixtrans-69.1153.6176.829.2-34000111.6G22P20-G22 PolarHBondContact O-N 3.23Å
21P44.3Very low52.4Low139 Ų139122 Ų12290%0.90371%0.712SS**SBendtrans-76.3124.9179.731.9-30.4000109.2
22G46.3Very low53Low75 Ų75120.5 Ų120.577%0.77370%0.702SS**  trans144.117.4166.300000119.5P20P20-G22 PolarHBondContact O-N 3.23Å
23Q38.2Very low53.8Low180 Ų180112.3 Ų112.384%0.84167%0.671SS**PPolyproline II helixtrans-92.8126.2166.1-78.6-179.6-2.800110.2A25Q23-A25 PolarHBondContact O-N 3.31Å
24P40.2Very low54.1Low117 Ų117110.3 Ų110.376%0.7665%0.653SS**PPolyproline II helixtrans-60.2129.8170.127-31.6000107.4Q26P24-Q26 PolarHBondContact O-N 3.42Å
25A45.9Very low54.8Low85 Ų85109.1 Ų109.170%0.70264%0.643SS**PPolyproline II helixtrans-49130.4173.500000108.1Q23 T27Q23-A25 PolarHBondContact O-N 3.31Å; A25-T27 VanDerWaalsContact C-N 3.26Å; A25-T27 PolarHBondContact O-N 3.21Å; A25-T27 PolarHBondContact O-OG1 2.73Å
26Q40.6Very low56.1Low186 Ų186109 Ų10987%0.86963%0.632SS**  trans-5896.7172.2-66.6177-0.700107.1P24 E28P24-Q26 PolarHBondContact O-N 3.42Å; Q26-E28 PolarHBondContact O-N 2.83Å
27T48.2Very low57Low56 Ų56106.4 Ų106.434%0.34460%0.604SS.*  trans-62.8128.9176.6-24.90000106.3A25 E31 Q32 Y35A25-T27 VanDerWaalsContact C-N 3.26Å; A25-T27 PolarHBondContact O-N 3.21Å; A25-T27 PolarHBondContact O-OG1 2.73Å; T27-E31 HydrophobicContact CG2-CB 3.73Å; T27-E31 WeakPolarHBondContact CG2-OE2 3.35Å; T27-Q32 HydrophobicContact CG2-CG 4.48Å; T27-Q32 PolarHBondContact O-NE2 3.44Å; T27-Y35 HydrophobicContact CG2-CE2 4.35Å
28E59.3Low57.7Low134 Ų134105.8 Ų105.863%0.62659%0.586SS**  trans-50.2141.2179.4-72.8-78.7153.100109.9Q26 L30 E31 Q32Q26-E28 PolarHBondContact O-N 2.83Å; E28-L30 PolarHBondContact O-N 3.34Å; E28-E31 WeakPolarHBondContact O-CA 3.17Å; E28-E31 WeakPolarHBondContact O-CB 3.28Å; E28-E31 PolarHBondContact O-N 3.06Å; E28-Q32 PolarHBondContact O-N 2.86Å; E28-Q32 VanDerWaalsContact O-N 3.1Å
29P66.7Low59.4Low101 Ų101100.2 Ų100.266%0.65657%0.566SS**Hα-helixtrans-56-28.9-173.218.5-30.4000113.2G33P29-G33 PolarHBondContact O-N 2.68Å
30L60.7Low60.2Low86 Ų8698.4 Ų98.445%0.4555%0.554SS.*Hα-helixtrans-71-35.9174-68.6174.2000113.5E28 M34E28-L30 PolarHBondContact O-N 3.34Å; L30-M34 PolarHBondContact O-N 3.43Å
31E62.4Low61.2Low92 Ų9297.9 Ų97.943%0.4354%0.541SS..Hα-helixtrans-71.3-40.9176.3-75.7-172157.700110.4T27 E28 G33 M34 Y35T27-E31 HydrophobicContact CG2-CB 3.73Å; T27-E31 WeakPolarHBondContact CG2-OE2 3.35Å; E28-E31 WeakPolarHBondContact O-CA 3.17Å; E28-E31 WeakPolarHBondContact O-CB 3.28Å; E28-E31 PolarHBondContact O-N 3.06Å; E31-G33 PolarHBondContact O-N 2.75Å; E31-M34 WeakPolarHBondContact O-CB 3.24Å; E31-M34 PolarHBondContact O-N 3.12Å; E31-M34 VanDerWaalsContact O-N 3.14Å; E31-Y35 HydrophobicContact CB-CE2 4.39Å; E31-Y35 WeakPolarHBondContact O-CD2 3.42Å; E31-Y35 PolarHBondContact O-N 3.07Å
32Q70.3Confident62.5Low91 Ų9199.8 Ų99.843%0.42554%0.538SS..Hα-helixtrans-56.5-49.9174.5-63-176.11.900111.7T27 E28 M34 Y35 E36T27-Q32 HydrophobicContact CG2-CG 4.48Å; T27-Q32 PolarHBondContact O-NE2 3.44Å; E28-Q32 PolarHBondContact O-N 2.86Å; E28-Q32 VanDerWaalsContact O-N 3.1Å; Q32-M34 PolarHBondContact O-N 3.01Å; Q32-Y35 PolarHBondContact O-N 2.8Å; Q32-E36 PolarHBondContact O-N 2.9Å
33G74.4Confident64Low20 Ų20103.5 Ų103.521%0.20654%0.539CS..Hα-helixtrans-60.9-30.9177.600000113.5P29 E31 L37P29-G33 PolarHBondContact O-N 2.68Å; E31-G33 PolarHBondContact O-N 2.75Å; G33-L37 WeakPolarHBondContact O-CG 3.36Å; G33-L37 PolarHBondContact O-N 3.33Å; G33-L37 VanDerWaalsContact O-N 3.15Å
34M69.3Low65.6Low43 Ų4396.9 Ų96.921%0.21251%0.511CS..Hα-helixtrans-69.8-41.4174.2-168-163.668.500112L30 E31 Q32 L37 M38 I62L30-M34 PolarHBondContact O-N 3.43Å; E31-M34 WeakPolarHBondContact O-CB 3.24Å; E31-M34 PolarHBondContact O-N 3.12Å; E31-M34 VanDerWaalsContact O-N 3.14Å; Q32-M34 PolarHBondContact O-N 3.01Å; M34-L37 PolarHBondContact O-N 3.2Å; M34-M38 HydrophobicContact CE-CE 3.68Å; M34-M38 HydrophobicContact CE-SD 4.18Å; M34-M38 HydrophobicContact CG-CE 3.91Å; M34-M38 VanDerWaalsContact O-CG 3.32Å; M34-M38 WeakPolarHBondContact O-CG 3.21Å; M34-M38 PolarHBondContact O-N 3.02Å; M34-M38 HydrophobicContact SD-CE 3.76Å; M34-I62 HydrophobicContact CB-CG2 4.42Å
35Y72.8Confident67.3Low139 Ų13996.4 Ų96.455%0.54550%0.502SS..Hα-helixtrans-65.7-39.8177.1-76.1-70.6000112T27 E31 Q32 M38 A39T27-Y35 HydrophobicContact CG2-CE2 4.35Å; E31-Y35 HydrophobicContact CB-CE2 4.39Å; E31-Y35 WeakPolarHBondContact O-CD2 3.42Å; E31-Y35 PolarHBondContact O-N 3.07Å; Q32-Y35 PolarHBondContact O-N 2.8Å; Y35-M38 PolarHBondContact O-N 3.15Å; Y35-A39 PolarHBondContact O-N 3.45Å
36E77.7Confident68.5Low123 Ų12398.9 Ų98.958%0.57551%0.511SS*.Hα-helixtrans-60.5-49.3174.8-72175.2176.900111.3Q32 M38 A39 E40Q32-E36 PolarHBondContact O-N 2.9Å; E36-M38 VanDerWaalsContact C-N 3.28Å; E36-M38 PolarHBondContact O-N 3.04Å; E36-A39 PolarHBondContact O-N 3.18Å; E36-A39 VanDerWaalsContact O-N 3.16Å; E36-E40 WeakPolarHBondContact O-CG 3.36Å; E36-E40 PolarHBondContact O-N 2.95Å
37L71.3Confident70.2Confident44 Ų4494.6 Ų94.623%0.2351%0.507CS..Hα-helixtrans-62.4-32.9176.3-73-178000113.3G33 M34 K41 I62G33-L37 WeakPolarHBondContact O-CG 3.36Å; G33-L37 PolarHBondContact O-N 3.33Å; G33-L37 VanDerWaalsContact O-N 3.15Å; M34-L37 PolarHBondContact O-N 3.2Å; L37-K41 WeakPolarHBondContact O-CB 3.31Å; L37-K41 PolarHBondContact O-N 3.33Å; L37-I62 HydrophobicContact CD1-CD1 3.42Å; L37-I62 VanDerWaalsContact CD1-CD1 3.42Å; L37-I62 HydrophobicContact CD1-CG1 4.35Å; L37-I62 HydrophobicContact CG-CD1 4.41Å
38M70.7Confident71.5Confident76 Ų7696 Ų9637%0.37451%0.513SS..Hα-helixtrans-68-42.1175-75.2-179-17900111.6M34 Y35 E36 K41 E42M34-M38 HydrophobicContact CE-CE 3.68Å; M34-M38 HydrophobicContact CE-SD 4.18Å; M34-M38 HydrophobicContact CG-CE 3.91Å; M34-M38 VanDerWaalsContact O-CG 3.32Å; M34-M38 WeakPolarHBondContact O-CG 3.21Å; M34-M38 PolarHBondContact O-N 3.02Å; M34-M38 HydrophobicContact SD-CE 3.76Å; Y35-M38 PolarHBondContact O-N 3.15Å; E36-M38 VanDerWaalsContact C-N 3.28Å; E36-M38 PolarHBondContact O-N 3.04Å; M38-K41 WeakPolarHBondContact O-CB 3.28Å; M38-K41 PolarHBondContact O-N 2.85Å; M38-E42 PolarHBondContact O-N 3.45Å
39A79.4Confident72.3Confident61 Ų6197.6 Ų97.650%0.50452%0.52SS..Hα-helixtrans-66.2-41.6177.200000111.7Y35 E36 K41 E42 L43Y35-A39 PolarHBondContact O-N 3.45Å; E36-A39 PolarHBondContact O-N 3.18Å; E36-A39 VanDerWaalsContact O-N 3.16Å; A39-K41 VanDerWaalsContact C-N 3.33Å; A39-K41 PolarHBondContact O-N 3.4Å; A39-E42 PolarHBondContact O-N 2.86Å; A39-L43 PolarHBondContact O-N 3.02Å
40E74.6Confident72.7Confident114 Ų114103.4 Ų103.453%0.53353%0.529SS..Hα-helixtrans-64.4-37.8175.6-72.2-176169.500111.9E36 E42 L43 V44E36-E40 WeakPolarHBondContact O-CG 3.36Å; E36-E40 PolarHBondContact O-N 2.95Å; E40-E42 VanDerWaalsContact C-N 3.26Å; E40-E42 PolarHBondContact O-N 2.95Å; E40-L43 PolarHBondContact O-N 3.46Å; E40-L43 VanDerWaalsContact O-N 3.14Å; E40-V44 WeakPolarHBondContact O-CG2 3.2Å; E40-V44 PolarHBondContact O-N 2.84Å
41K71.5Confident73.4Confident93 Ų93102 Ų10240%0.40452%0.524SS..Hα-helixtrans-58.6-37.8176.9-165.1-165.6173.7-1500112.5L37 M38 A39 L43 V44 H52 V55L37-K41 WeakPolarHBondContact O-CB 3.31Å; L37-K41 PolarHBondContact O-N 3.33Å; M38-K41 WeakPolarHBondContact O-CB 3.28Å; M38-K41 PolarHBondContact O-N 2.85Å; A39-K41 VanDerWaalsContact C-N 3.33Å; A39-K41 PolarHBondContact O-N 3.4Å; K41-L43 VanDerWaalsContact C-N 3.29Å; K41-V44 PolarHBondContact O-N 2.63Å; K41-H52 VanDerWaalsContact CE-CD2 3.47Å; K41-H52 WeakPolarHBondContact CE-CD2 3.34Å; K41-H52 WeakPolarHBondContact CE-NE2 3.49Å; K41-V55 HydrophobicContact CB-CG1 3.84Å; K41-V55 HydrophobicContact CG-CG1 3.92Å
42E73Confident74Confident179 Ų179101 Ų10184%0.83652%0.519SS*.Hα-helixtrans-73.9-21.8-179.1-68.1-167.1165.100112.9M38 A39 E40M38-E42 PolarHBondContact O-N 3.45Å; A39-E42 PolarHBondContact O-N 2.86Å; E40-E42 VanDerWaalsContact C-N 3.26Å; E40-E42 PolarHBondContact O-N 2.95Å
43L76.3Confident74.4Confident153 Ų15399 Ų9980%0.80152%0.518SS*.Hα-helixtrans-85-16.4176.9-169.161.7000113A39 E40 K41A39-L43 PolarHBondContact O-N 3.02Å; E40-L43 PolarHBondContact O-N 3.46Å; E40-L43 VanDerWaalsContact O-N 3.14Å; K41-L43 VanDerWaalsContact C-N 3.29Å
44V72.8Confident74.7Confident41 Ų41103.2 Ų103.225%0.24854%0.539CS..SBendtrans-82.7126.5-177.6173.20000110.9E40 K41 L48 V51E40-V44 WeakPolarHBondContact O-CG2 3.2Å; E40-V44 PolarHBondContact O-N 2.84Å; K41-V44 PolarHBondContact O-N 2.63Å; V44-L48 HydrophobicContact CG1-CB 4.31Å; V44-V51 HydrophobicContact CB-CG1 4.31Å; V44-V51 HydrophobicContact CG1-CB 3.81Å; V44-V51 HydrophobicContact CG1-CG1 3.56Å; V44-V51 HydrophobicContact CG2-CG1 3.71Å
45D74.7Confident75.1Confident108 Ų108102 Ų10258%0.57854%0.535SS*.  trans-55.5131.7176.1-75.9-44.5000111.7A47 L48D45-A47 PolarHBondContact O-N 3.18Å; D45-L48 HydrophobicContact CB-CD1 4.19Å; D45-L48 PolarHBondContact O-N 3.06Å
46P72.2Confident75.3Confident137 Ų13799.9 Ų99.989%0.8953%0.53SS*.THydrogen-bonded Turntrans-64.3-11.6-178.325.6-34.3000113.7L48P46-L48 VanDerWaalsContact C-N 3.34Å
47A75.2Confident75.4Confident95 Ų9596.1 Ų96.179%0.78552%0.52SS*.THydrogen-bonded Turntrans-77.7-16.1174.500000113.6D45 E49D45-A47 PolarHBondContact O-N 3.18Å; A47-E49 PolarHBondContact O-N 3.48Å
48L75.6Confident75.6Confident87 Ų8795 Ų9546%0.45552%0.519SS..  trans-91.171.3-178.7-75161.7000111.4V44 D45 P46 R50 V51 H52V44-L48 HydrophobicContact CG1-CB 4.31Å; D45-L48 HydrophobicContact CB-CD1 4.19Å; D45-L48 PolarHBondContact O-N 3.06Å; P46-L48 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.9Å; L48-R50 VanDerWaalsContact O-N 3.13Å; L48-V51 HydrophobicContact CB-CB 4.1Å; L48-V51 HydrophobicContact CB-CG2 3.94Å; L48-V51 HydrophobicContact CD1-CG2 4.44Å; L48-V51 HydrophobicContact CD2-CG2 4.42Å; L48-V51 PolarHBondContact O-N 3.27Å; L48-H52 PolarHBondContact O-N 3.03Å; L48-H52 VanDerWaalsContact O-N 3.13Å
49E77.8Confident75.8Confident166 Ų16697 Ų9778%0.77652%0.522SS*.Hα-helixtrans-54.5-35.9-177.2-157.4168.8-14300113.1A47 A53A47-E49 PolarHBondContact O-N 3.48Å; E49-A53 PolarHBondContact O-N 2.97Å
50R74.8Confident75.4Confident223 Ų22397.5 Ų97.584%0.84252%0.516SS*.Hα-helixtrans-65.9-39.3176.4-64.6-176.5-168.2152.23.7113.2L48 A53 V54L48-R50 PolarHBondContact O-N 2.9Å; L48-R50 VanDerWaalsContact O-N 3.13Å; R50-A53 PolarHBondContact O-N 2.84Å; R50-V54 WeakPolarHBondContact O-CG2 2.84Å; R50-V54 PolarHBondContact O-N 3.17Å
51V74.5Confident75.4Confident57 Ų5795.8 Ų95.835%0.34551%0.511SS..Hα-helixtrans-71.5-41.9-180-178.30000109.4V44 L48 A53 V54 V55V44-V51 HydrophobicContact CB-CG1 4.31Å; V44-V51 HydrophobicContact CG1-CB 3.81Å; V44-V51 HydrophobicContact CG1-CG1 3.56Å; V44-V51 HydrophobicContact CG2-CG1 3.71Å; L48-V51 HydrophobicContact CB-CB 4.1Å; L48-V51 HydrophobicContact CB-CG2 3.94Å; L48-V51 HydrophobicContact CD1-CG2 4.44Å; L48-V51 HydrophobicContact CD2-CG2 4.42Å; L48-V51 PolarHBondContact O-N 3.27Å; V51-A53 VanDerWaalsContact C-N 3.28Å; V51-A53 PolarHBondContact O-N 3.06Å; V51-V54 PolarHBondContact O-N 2.93Å; V51-V54 VanDerWaalsContact O-N 3.11Å; V51-V55 HydrophobicContact CG1-CG2 4.47Å; V51-V55 WeakPolarHBondContact O-CG2 3.26Å; V51-V55 PolarHBondContact O-N 3.47Å
52H74.7Confident75.2Confident70 Ų7092.8 Ų92.832%0.32450%0.499SS..Hα-helixtrans-59.4-39.2173.7-171.2-114.7000112K41 L48 V54 V55 Q56K41-H52 VanDerWaalsContact CE-CD2 3.47Å; K41-H52 WeakPolarHBondContact CE-CD2 3.34Å; K41-H52 WeakPolarHBondContact CE-NE2 3.49Å; L48-H52 PolarHBondContact O-N 3.03Å; L48-H52 VanDerWaalsContact O-N 3.13Å; H52-V54 PolarHBondContact O-N 2.65Å; H52-V55 PolarHBondContact O-N 3.39Å; H52-Q56 PolarHBondContact CE1-NE2 3.41Å; H52-Q56 PolarHBondContact ND1-NE2 3.13Å; H52-Q56 WeakPolarHBondContact O-CB 3.48Å; H52-Q56 VanDerWaalsContact O-CG 3.22Å; H52-Q56 WeakPolarHBondContact O-CG 3.49Å; H52-Q56 PolarHBondContact O-N 2.89Å
53A79.8Confident75Confident51 Ų5186 Ų8642%0.42147%0.467SS..Hα-helixtrans-61.9-40.1174.300000112.8E49 R50 V51 A57E49-A53 PolarHBondContact O-N 2.97Å; R50-A53 PolarHBondContact O-N 2.84Å; V51-A53 VanDerWaalsContact C-N 3.28Å; V51-A53 PolarHBondContact O-N 3.06Å; A53-A57 WeakPolarHBondContact O-CB 3.35Å; A53-A57 PolarHBondContact O-N 3.48Å
54V80.1Confident74.4Confident107 Ų10784.1 Ų84.165%0.64845%0.449SS*.Hα-helixtrans-67.5-45.1176.4175.30000111.3R50 V51 H52 Q56 A57 G58R50-V54 WeakPolarHBondContact O-CG2 2.84Å; R50-V54 PolarHBondContact O-N 3.17Å; V51-V54 PolarHBondContact O-N 2.93Å; V51-V54 VanDerWaalsContact O-N 3.11Å; H52-V54 PolarHBondContact O-N 2.65Å; V54-Q56 VanDerWaalsContact C-N 3.32Å; V54-Q56 PolarHBondContact O-N 3.4Å; V54-A57 WeakPolarHBondContact O-CB 3.29Å; V54-A57 PolarHBondContact O-N 3.03Å; V54-G58 PolarHBondContact O-N 3.2Å
55V77.5Confident73.8Confident18 Ų1888.7 Ų88.711%0.10947%0.468CS..Hα-helixtrans-62.6-41177.3175.40000111K41 V51 H52 G58 R59K41-V55 HydrophobicContact CB-CG1 3.84Å; K41-V55 HydrophobicContact CG-CG1 3.92Å; V51-V55 HydrophobicContact CG1-CG2 4.47Å; V51-V55 WeakPolarHBondContact O-CG2 3.26Å; V51-V55 PolarHBondContact O-N 3.47Å; H52-V55 PolarHBondContact O-N 3.39Å; V55-G58 PolarHBondContact O-N 3.36Å; V55-R59 PolarHBondContact O-N 3.16Å
56Q77.1Confident73.1Confident94 Ų9486.6 Ų86.644%0.43946%0.462SS..Hα-helixtrans-62.2-43.7172.9-76.2-176.9-700112.2H52 V54 G58 R59 L60H52-Q56 PolarHBondContact CE1-NE2 3.41Å; H52-Q56 PolarHBondContact ND1-NE2 3.13Å; H52-Q56 WeakPolarHBondContact O-CB 3.48Å; H52-Q56 VanDerWaalsContact O-CG 3.22Å; H52-Q56 WeakPolarHBondContact O-CG 3.49Å; H52-Q56 PolarHBondContact O-N 2.89Å; V54-Q56 VanDerWaalsContact C-N 3.32Å; V54-Q56 PolarHBondContact O-N 3.4Å; Q56-G58 VanDerWaalsContact C-N 3.35Å; Q56-G58 PolarHBondContact O-N 2.77Å; Q56-R59 PolarHBondContact O-N 3.19Å; Q56-L60 WeakPolarHBondContact O-CG 3.36Å; Q56-L60 PolarHBondContact O-N 3.2Å
57A79.1Confident72.3Confident45 Ų4582.5 Ų82.537%0.37244%0.444SS..Hα-helixtrans-62.5-41.5176.400000111.9A53 V54 L60 N61A53-A57 WeakPolarHBondContact O-CB 3.35Å; A53-A57 PolarHBondContact O-N 3.48Å; V54-A57 WeakPolarHBondContact O-CB 3.29Å; V54-A57 PolarHBondContact O-N 3.03Å; A57-L60 PolarHBondContact O-N 3.38Å; A57-N61 VanDerWaalsContact O-CG 3.24Å; A57-N61 PolarHBondContact O-N 3Å; A57-N61 PolarHBondContact O-ND2 3.41Å
58G75.9Confident71.5Confident21 Ų2184.9 Ų84.922%0.21644%0.437CS..Hα-helixtrans-59.6-47.3173.700000112.1V54 V55 Q56 L60 N61 I62V54-G58 PolarHBondContact O-N 3.2Å; V55-G58 PolarHBondContact O-N 3.36Å; Q56-G58 VanDerWaalsContact C-N 3.35Å; Q56-G58 PolarHBondContact O-N 2.77Å; G58-L60 PolarHBondContact O-N 3.04Å; G58-N61 WeakPolarHBondContact O-CB 3.4Å; G58-N61 PolarHBondContact O-N 3.45Å; G58-N61 VanDerWaalsContact O-N 3.16Å; G58-I62 WeakPolarHBondContact O-CG1 3.16Å; G58-I62 PolarHBondContact O-N 3.45Å
59R75.1Confident70.8Confident117 Ų11783.5 Ų83.544%0.44243%0.43SS..Hα-helixtrans-58.7-46.2174.6179-179.9171.8166.30.1112.4V55 Q56 N61 I62 E63V55-R59 PolarHBondContact O-N 3.16Å; Q56-R59 PolarHBondContact O-N 3.19Å; R59-N61 VanDerWaalsContact C-N 3.26Å; R59-N61 PolarHBondContact O-N 3.11Å; R59-I62 PolarHBondContact O-N 3.12Å; R59-E63 HydrophobicContact CG-CG 4.36Å; R59-E63 IonicContact CZ-OE1 3.43Å; R59-E63 IonicContact NE-OE1 2.85Å; R59-E63 PolarHBondContact NE-OE1 3.5Å; R59-E63 IonicContact NH2-OE1 3.09Å; R59-E63 PolarHBondContact NH2-OE1 3.42Å; R59-E63 VanDerWaalsContact NH2-OE1 3.09Å; R59-E63 WeakPolarHBondContact O-CB 3.39Å; R59-E63 WeakPolarHBondContact O-CG 3.44Å; R59-E63 PolarHBondContact O-N 2.98Å
60L72Confident70.2Confident72 Ų7279.5 Ų79.538%0.37741%0.411SS..Hα-helixtrans-62.3-36.2177.9-72.3174.6000111.5Q56 A57 G58 E63 R64 I69Q56-L60 WeakPolarHBondContact O-CG 3.36Å; Q56-L60 PolarHBondContact O-N 3.2Å; A57-L60 PolarHBondContact O-N 3.38Å; G58-L60 PolarHBondContact O-N 3.04Å; L60-E63 PolarHBondContact O-N 3.38Å; L60-R64 WeakPolarHBondContact O-CB 3.37Å; L60-R64 WeakPolarHBondContact O-CD 3.11Å; L60-R64 WeakPolarHBondContact O-CG 3.32Å; L60-R64 PolarHBondContact O-N 2.96Å; L60-I69 HydrophobicContact CD2-CD1 3.96Å
61N72.9Confident69.8Low77 Ų7771.4 Ų71.441%0.41239%0.387SS..Hα-helixtrans-66.2-45.5175.3-70.3-15.4000111.7A57 G58 R59 E63 R64 E65A57-N61 VanDerWaalsContact O-CG 3.24Å; A57-N61 PolarHBondContact O-N 3Å; A57-N61 PolarHBondContact O-ND2 3.41Å; G58-N61 WeakPolarHBondContact O-CB 3.4Å; G58-N61 PolarHBondContact O-N 3.45Å; G58-N61 VanDerWaalsContact O-N 3.16Å; R59-N61 VanDerWaalsContact C-N 3.26Å; R59-N61 PolarHBondContact O-N 3.11Å; N61-E63 VanDerWaalsContact C-N 3.35Å; N61-E63 PolarHBondContact O-N 3.49Å; N61-R64 WeakPolarHBondContact O-CB 3.45Å; N61-R64 PolarHBondContact O-N 3.34Å; N61-R64 PolarHBondContact OD1-NH1 3.25Å; N61-E65 WeakPolarHBondContact O-CG 3.47Å; N61-E65 PolarHBondContact O-N 3.01Å
62I69.1Low69.7Low30 Ų3075.8 Ų75.815%0.15440%0.404CS..Hα-helixtrans-63.9-40174.8-61.6-177.2000111.1M34 L37 G58 R59 R64 E65 S66M34-I62 HydrophobicContact CB-CG2 4.42Å; L37-I62 HydrophobicContact CD1-CD1 3.42Å; L37-I62 VanDerWaalsContact CD1-CD1 3.42Å; L37-I62 HydrophobicContact CD1-CG1 4.35Å; L37-I62 HydrophobicContact CG-CD1 4.41Å; G58-I62 WeakPolarHBondContact O-CG1 3.16Å; G58-I62 PolarHBondContact O-N 3.45Å; R59-I62 PolarHBondContact O-N 3.12Å; I62-R64 VanDerWaalsContact C-N 3.34Å; I62-R64 PolarHBondContact O-N 3.44Å; I62-E65 PolarHBondContact O-N 3.41Å; I62-S66 WeakPolarHBondContact O-CB 3.48Å; I62-S66 PolarHBondContact O-N 3.45Å
63E67.8Low69.7Low38 Ų3881.1 Ų81.118%0.17842%0.423CS..Hα-helixtrans-66.9-34.2177-74.7179.3173.900112.5R59 L60 N61 G67 K68 I69R59-E63 HydrophobicContact CG-CG 4.36Å; R59-E63 IonicContact CZ-OE1 3.43Å; R59-E63 IonicContact NE-OE1 2.85Å; R59-E63 PolarHBondContact NE-OE1 3.5Å; R59-E63 IonicContact NH2-OE1 3.09Å; R59-E63 PolarHBondContact NH2-OE1 3.42Å; R59-E63 VanDerWaalsContact NH2-OE1 3.09Å; R59-E63 WeakPolarHBondContact O-CB 3.39Å; R59-E63 WeakPolarHBondContact O-CG 3.44Å; R59-E63 PolarHBondContact O-N 2.98Å; L60-E63 PolarHBondContact O-N 3.38Å; N61-E63 VanDerWaalsContact C-N 3.35Å; N61-E63 PolarHBondContact O-N 3.49Å; E63-G67 PolarHBondContact O-N 2.88Å; E63-K68 PolarHBondContact O-N 2.9Å; E63-K68 VanDerWaalsContact O-N 3.08Å; E63-I69 HydrophobicContact CB-CD1 3.72Å; E63-I69 HydrophobicContact CB-CG1 4.34Å
64R63.1Low69.7Low112 Ų11281.8 Ų81.842%0.42342%0.419SS..Hα-helixtrans-65-45.1170.1-74.8165.8-176.7145.9-2.1111.2L60 N61 I62 S66 G67 I69L60-R64 WeakPolarHBondContact O-CB 3.37Å; L60-R64 WeakPolarHBondContact O-CD 3.11Å; L60-R64 WeakPolarHBondContact O-CG 3.32Å; L60-R64 PolarHBondContact O-N 2.96Å; N61-R64 WeakPolarHBondContact O-CB 3.45Å; N61-R64 PolarHBondContact O-N 3.34Å; N61-R64 PolarHBondContact OD1-NH1 3.25Å; I62-R64 VanDerWaalsContact C-N 3.34Å; I62-R64 PolarHBondContact O-N 3.44Å; R64-S66 VanDerWaalsContact C-N 3.33Å; R64-G67 PolarHBondContact O-N 3.43Å; R64-I69 HydrophobicContact CG-CB 3.95Å; R64-I69 HydrophobicContact CG-CD1 4.33Å; R64-I69 HydrophobicContact CG-CG2 4.17Å
65E61.2Low69.6Low137 Ų13781.1 Ų81.164%0.6441%0.411SS*.Hα-helixtrans-67.1-33.6176.6-72.5177.9178.600112.5N61 I62 G67N61-E65 WeakPolarHBondContact O-CG 3.47Å; N61-E65 PolarHBondContact O-N 3.01Å; I62-E65 PolarHBondContact O-N 3.41Å; E65-G67 PolarHBondContact O-N 3.45Å; E65-G67 VanDerWaalsContact O-N 3.12Å
66S59.9Low69.7Low64 Ų6487 Ų8745%0.44844%0.441SS..THydrogen-bonded Turntrans-68.2-3.8171.5-166.80000112.6I62 R64 K68I62-S66 WeakPolarHBondContact O-CB 3.48Å; I62-S66 PolarHBondContact O-N 3.45Å; R64-S66 VanDerWaalsContact C-N 3.33Å; S66-K68 VanDerWaalsContact C-N 3.26Å; S66-K68 PolarHBondContact O-N 3.43Å
67G56.1Low69.6Low51 Ų5188.6 Ų88.653%0.52645%0.452SS..THydrogen-bonded Turntrans70.419177.500000113.8E63 R64 E65E63-G67 PolarHBondContact O-N 2.88Å; R64-G67 PolarHBondContact O-N 3.43Å; E65-G67 PolarHBondContact O-N 3.45Å; E65-G67 VanDerWaalsContact O-N 3.12Å
68K57.5Low68.9Low145 Ų14594 Ų9463%0.6348%0.475SS*.  trans-83.3-26.6178-66.8178.9-176.3170.30112.3E63 S66E63-K68 PolarHBondContact O-N 2.9Å; E63-K68 VanDerWaalsContact O-N 3.08Å; S66-K68 VanDerWaalsContact C-N 3.26Å; S66-K68 PolarHBondContact O-N 3.43Å
69I61Low68.9Low59 Ų5999.3 Ų99.330%0.30349%0.492SS..SBendtrans-115.9120.4-177.3-55.7171.1000108L60 E63 R64L60-I69 HydrophobicContact CD2-CD1 3.96Å; E63-I69 HydrophobicContact CB-CD1 3.72Å; E63-I69 HydrophobicContact CB-CG1 4.34Å; R64-I69 HydrophobicContact CG-CB 3.95Å; R64-I69 HydrophobicContact CG-CD1 4.33Å; R64-I69 HydrophobicContact CG-CG2 4.17Å
70E64.7Low69.3Low81 Ų8198.5 Ų98.538%0.37950%0.5SS..  trans-62.8137173.5-65-177.4173.200109.2E72 K85E70-E72 PolarHBondContact O-N 3.43Å; E70-K85 WeakPolarHBondContact OE1-CE 3.14Å; E70-K85 IonicContact OE1-NZ 2.75Å; E70-K85 PolarHBondContact OE1-NZ 3.11Å; E70-K85 IonicContact OE2-NZ 3.78Å; E70-K85 PolarHBondContact OE2-NZ 3.32Å
71P66.8Low70.1Confident54 Ų5495.7 Ų95.735%0.35149%0.485SS..  trans-63.1127.4-179.727.3-33.6000109.4Y73 L81P71-Y73 PolarHBondContact O-N 3.39Å; P71-L81 HydrophobicContact CG-CD1 3.51Å
72E72.2Confident70.8Confident149 Ų149100.2 Ų100.270%0.69650%0.501SS*.SBendtrans-62.5-35.9178.3-173.4-178.2161.700111.5E70E70-E72 PolarHBondContact O-N 3.43Å
73Y75.4Confident71.8Confident181 Ų18198.9 Ų98.971%0.7149%0.494SS*.SBendtrans-113.9132.9177.6-59.1-87.8000110.1P71P71-Y73 PolarHBondContact O-N 3.39Å
74I78.2Confident73Confident66 Ų6699 Ų9934%0.33850%0.498SS..  trans-103.6118.2177.1-59.7177.9000107.8L81 P164 Y168I74-L81 HydrophobicContact CD1-CD2 4.42Å; I74-P164 HydrophobicContact CG2-CB 3.51Å; I74-P164 HydrophobicContact CG2-CG 3.3Å; I74-Y168 HydrophobicContact CD1-CE2 3.72Å
75D80Confident74.5Confident93 Ų9397.3 Ų97.350%0.49749%0.493SS..  trans-82.4120.7168.9-173.1-4.2000109D77 K79D75-D77 PolarHBondContact OD1-N 3.03Å; D75-K79 HydrophobicContact CB-CB 4.46Å
76I78.3Confident76Confident141 Ų14195.9 Ų95.972%0.72349%0.485SS*.THydrogen-bonded Turntrans-77.7-28.3-173.9-61.9175.1000110.6
77D74.6Confident77.6Confident128 Ų12894.1 Ų94.168%0.68447%0.472SS*.THydrogen-bonded Turntrans-80.3-33.2-155.7-69.7-26.2000113.4D75D75-D77 PolarHBondContact OD1-N 3.03Å
78N64.3Low79.4Confident158 Ų15897 Ų9785%0.84548%0.475SS*.THydrogen-bonded Turntrans-154.76.8-177.1-75.6-62.4000116.2
79K76.3Confident81.1Confident133 Ų13390.6 Ų90.658%0.57845%0.447SS*.  trans-93.4120.3-171.9-161.1169.6-176.5176.40112.3D75 L81D75-K79 HydrophobicContact CB-CB 4.46Å; K79-L81 PolarHBondContact O-N 3.36Å
80V84.5Confident82.5Confident99 Ų9989.4 Ų89.460%0.644%0.443SS*.  trans-66.5115.1165.2178.60000108.4
81L87.2Confident83.6Confident13 Ų1387.7 Ų87.77%0.06844%0.438CS..EExtended strand (participates in β ladder)trans-88135.4176.5-174.168.7000109.3P71 I74 K79 V83 S161 G162 P164 V167 Y168P71-L81 HydrophobicContact CG-CD1 3.51Å; I74-L81 HydrophobicContact CD1-CD2 4.42Å; K79-L81 PolarHBondContact O-N 3.36Å; L81-V83 HydrophobicContact CD1-CG2 4.38Å; L81-V83 HydrophobicContact CD2-CG2 3.61Å; L81-V83 HydrophobicContact CG-CG2 3.75Å; L81-S161 VanDerWaalsContact O-CA 3.31Å; L81-S161 WeakPolarHBondContact O-CA 3.44Å; L81-G162 PolarHBondContact N-O 3.41Å; L81-G162 PolarHBondContact O-N 3.08Å; L81-P164 HydrophobicContact CB-CG 4.35Å; L81-P164 HydrophobicContact CD2-CB 4.16Å; L81-V167 HydrophobicContact CB-CG2 4.38Å; L81-V167 HydrophobicContact CD2-CB 4.47Å; L81-V167 HydrophobicContact CD2-CG1 4.33Å; L81-V167 WeakPolarHBondContact O-CG2 3.35Å; L81-Y168 HydrophobicContact CD2-CE2 4.01Å
82K88.8Confident84.6Confident172 Ų17291.1 Ų91.175%0.74845%0.453SS*.EExtended strand (participates in β ladder)trans-116.1113.8170.1-70178.7-179172.30108.1A160K82-A160 WeakPolarHBondContact CA-O 3.31Å
83V90.2Very high85.3Confident3 Ų393.7 Ų93.72%0.01846%0.457CS..EExtended strand (participates in β ladder)trans-113.1137.4178.31770000109.4L81 K85 Q159 A160 V167 I171L81-V83 HydrophobicContact CD1-CG2 4.38Å; L81-V83 HydrophobicContact CD2-CG2 3.61Å; L81-V83 HydrophobicContact CG-CG2 3.75Å; V83-K85 HydrophobicContact CG1-CD 4.35Å; V83-K85 HydrophobicContact CG1-CG 4.11Å; V83-Q159 WeakPolarHBondContact O-CA 3.34Å; V83-A160 PolarHBondContact N-O 3.18Å; V83-A160 PolarHBondContact O-N 3.11Å; V83-V167 HydrophobicContact CB-CG1 3.64Å; V83-V167 HydrophobicContact CG2-CG1 3.54Å; V83-I171 HydrophobicContact CB-CD1 3.71Å; V83-I171 HydrophobicContact CG1-CD1 3.4Å
84T92.3Very high85.7Confident40 Ų4088.3 Ų88.325%0.24544%0.438CS..EExtended strand (participates in β ladder)trans-120.7122.2172.8-69.70000109.1R157 I158 Q159T84-R157 HydrophobicContact CG2-CG 3.67Å; T84-I158 CarbonylContact C-O 3.26Å; T84-I158 VanDerWaalsContact CA-O 3.3Å; T84-I158 WeakPolarHBondContact CA-O 3.44Å; T84-Q159 HydrophobicContact CG2-CG 4.35Å; T84-Q159 PolarHBondContact OG1-NE2 3.46Å
85K93.8Very high86.1Confident76 Ų7690 Ų9033%0.3345%0.453SS..EExtended strand (participates in β ladder)trans-116.6143.1171.3-63.8-60.6-173.7-174.20110.8E70 V83 R157 I158 I171E70-K85 WeakPolarHBondContact OE1-CE 3.14Å; E70-K85 IonicContact OE1-NZ 2.75Å; E70-K85 PolarHBondContact OE1-NZ 3.11Å; E70-K85 IonicContact OE2-NZ 3.78Å; E70-K85 PolarHBondContact OE2-NZ 3.32Å; V83-K85 HydrophobicContact CG1-CD 4.35Å; V83-K85 HydrophobicContact CG1-CG 4.11Å; K85-R157 WeakPolarHBondContact O-CA 3.49Å; K85-I158 PolarHBondContact N-O 2.61Å; K85-I158 PolarHBondContact O-N 3.09Å; K85-I171 HydrophobicContact CG-CD1 4.36Å; K85-I171 HydrophobicContact CG-CG2 4.34Å
86K93.9Very high86.2Confident107 Ų10792.1 Ų92.147%0.46547%0.465SS..EExtended strand (participates in β ladder)trans-108.1124176.5-67.5174.6171-168.20108.6E152K86-E152 VanDerWaalsContact NZ-CD 3.33Å; K86-E152 IonicContact NZ-OE1 2.65Å; K86-E152 PolarHBondContact NZ-OE1 3.35Å; K86-E152 VanDerWaalsContact NZ-OE1 3.08Å; K86-E152 IonicContact NZ-OE2 2.63Å; K86-E152 PolarHBondContact NZ-OE2 2.99Å
87V94.3Very high86.5Confident28 Ų2887 Ų8717%0.1744%0.437CS..EExtended strand (participates in β ladder)trans-109.5117.9179.4-176.10000109Q155 V156 I158 L175 L182V87-Q155 CarbonylContact O-C 3.55Å; V87-Q155 WeakPolarHBondContact O-CA 3.26Å; V87-Q155 VanDerWaalsContact O-CB 3.29Å; V87-Q155 WeakPolarHBondContact O-CB 3.48Å; V87-V156 PolarHBondContact N-O 3.17Å; V87-V156 PolarHBondContact O-N 2.98Å; V87-I158 HydrophobicContact CG2-CD1 3.76Å; V87-I158 HydrophobicContact CG2-CG1 4.32Å; V87-L175 HydrophobicContact CG2-CD2 3.63Å; V87-L182 HydrophobicContact CG1-CD1 3.57Å
88L93.7Very high87.1Confident112 Ų11284.6 Ų84.659%0.58642%0.424SS*.EExtended strand (participates in β ladder)trans-69.6136.8179.2-69.5169.5000111.3K153L88-K153 HydrophobicContact CD2-CB 3.97Å; L88-K153 HydrophobicContact CD2-CD 4.5Å
89I92.4Very high88.4Confident9 Ų977.2 Ų77.25%0.04639%0.385CS..  trans-91.6127.1172.9-54.1-166.6000108.6V91 F99 L154 V156 L182I89-V91 HydrophobicContact CB-CG1 4.44Å; I89-V91 HydrophobicContact CG2-CG1 3.95Å; I89-V91 PolarHBondContact O-N 2.99Å; I89-F99 HydrophobicContact CG2-CB 3.51Å; I89-F99 HydrophobicContact CG2-CD1 4.01Å; I89-F99 HydrophobicContact CG2-CD2 3.62Å; I89-F99 HydrophobicContact CG2-CE2 4.32Å; I89-F99 HydrophobicContact CG2-CG 3.43Å; I89-F99 VanDerWaalsContact CG2-CG 3.43Å; I89-L154 HydrophobicContact CB-CD2 4.1Å; I89-L154 HydrophobicContact CB-CG 4.19Å; I89-L154 HydrophobicContact CD1-CD2 3.93Å; I89-L154 HydrophobicContact CD1-CG 3.87Å; I89-L154 HydrophobicContact CG1-CD2 4.44Å; I89-L154 HydrophobicContact CG1-CG 4.22Å; I89-L154 HydrophobicContact CG2-CD2 4.17Å; I89-L154 PolarHBondContact N-O 3.34Å; I89-V156 HydrophobicContact CD1-CG2 3.74Å; I89-V156 HydrophobicContact CG1-CG2 4.08Å; I89-L182 HydrophobicContact CB-CD2 4.38Å; I89-L182 HydrophobicContact CD1-CD2 4.09Å; I89-L182 HydrophobicContact CG1-CD2 3.82Å; I89-L182 HydrophobicContact CG2-CD2 4.16Å
90P89.8Confident89.1Confident34 Ų3471.6 Ų71.622%0.22136%0.361CS..  trans-77.854.8-174.833.7-37.2000113D92 R93 H94 F99 L182P90-D92 PolarHBondContact O-N 3.48Å; P90-R93 PolarHBondContact O-N 3.1Å; P90-H94 PolarHBondContact O-N 3.16Å; P90-F99 HydrophobicContact CG-CE1 4.24Å; P90-F99 HydrophobicContact CG-CZ 4.1Å; P90-L182 WeakPolarHBondContact CG-O 3.44Å
91V89Confident89.4Confident46 Ų4668 Ų6828%0.27935%0.345SS..THydrogen-bonded Turntrans-61.2-32.2176.9-66.10000112.5I89 R93 H94 P95 F99 L154I89-V91 HydrophobicContact CB-CG1 4.44Å; I89-V91 HydrophobicContact CG2-CG1 3.95Å; I89-V91 PolarHBondContact O-N 2.99Å; V91-R93 PolarHBondContact O-N 3.03Å; V91-H94 CarbonylContact O-C 3.13Å; V91-H94 VanDerWaalsContact O-C 3.26Å; V91-H94 PolarHBondContact O-N 3.35Å; V91-P95 WeakPolarHBondContact O-CA 3.39Å; V91-P95 VanDerWaalsContact O-N 3.15Å; V91-F99 HydrophobicContact CG1-CD2 4.01Å; V91-F99 HydrophobicContact CG1-CE2 4.36Å; V91-L154 HydrophobicContact CG1-CB 4.48Å; V91-L154 HydrophobicContact CG1-CD2 3.54Å
92D87.6Confident89.5Confident126 Ų12667.9 Ų67.967%0.67434%0.344SS*.THydrogen-bonded Turntrans-63-31.4179.9-61.7-27.7000111.9P90 K153P90-D92 PolarHBondContact O-N 3.48Å; D92-K153 IonicContact OD2-NZ 2.63Å
93R87Confident89.6Confident203 Ų20359.7 Ų59.777%0.76631%0.308SS*.THydrogen-bonded Turntrans-84-29.6180-61.9-176-171.1166.32.3112.7P90 V91P90-R93 PolarHBondContact O-N 3.1Å; V91-R93 PolarHBondContact O-N 3.03Å
94H84.2Confident89.7Confident68 Ų6863.3 Ų63.332%0.31533%0.326SS..  trans-137.671.5-176-57.5-74.5000110.8P90 V91 N96 F97 F99 A184P90-H94 PolarHBondContact O-N 3.16Å; V91-H94 CarbonylContact O-C 3.13Å; V91-H94 VanDerWaalsContact O-C 3.26Å; V91-H94 PolarHBondContact O-N 3.35Å; H94-N96 PolarHBondContact O-N 3.27Å; H94-F97 HydrophobicContact CB-CB 4.04Å; H94-F97 PolarHBondContact O-N 3.29Å; H94-F97 VanDerWaalsContact O-N 3.16Å; H94-F99 HydrophobicContact CB-CE2 4.16Å; H94-F99 HydrophobicContact CB-CZ 3.95Å; H94-A184 HydrophobicContact CB-CB 3.95Å
95P85.3Confident89.5Confident101 Ų10162.1 Ų62.166%0.65632%0.322SS*.THydrogen-bonded Turntrans-65.4-23.2-175.625.2-35000113.4V91 F97V91-P95 WeakPolarHBondContact O-CA 3.39Å; V91-P95 VanDerWaalsContact O-N 3.15Å; P95-F97 VanDerWaalsContact C-N 3.32Å
96N83.6Confident89.3Confident138 Ų13860.1 Ų60.174%0.73832%0.316SS*.THydrogen-bonded Turntrans-85.6-1.6-179.6-63.5-25.4000113.5H94H94-N96 PolarHBondContact O-N 3.27Å
97F84.3Confident88.9Confident32 Ų3259.6 Ų59.614%0.1434%0.341CS..SBendtrans-104.6129.6-176.1-172.8-97.9000111.6H94 P95 F99 K102 A184H94-F97 HydrophobicContact CB-CB 4.04Å; H94-F97 PolarHBondContact O-N 3.29Å; H94-F97 VanDerWaalsContact O-N 3.16Å; P95-F97 VanDerWaalsContact C-N 3.32Å; F97-F99 HydrophobicContact CB-CE2 4.2Å; F97-F99 HydrophobicContact CB-CZ 4.38Å; F97-F99 HydrophobicContact CD1-CB 4.44Å; F97-F99 AromaticContact CD1-CD1 3.45Å; F97-F99 HydrophobicContact CD1-CD1 3.45Å; F97-F99 VanDerWaalsContact CD1-CD1 3.45Å; F97-F99 AromaticContact CD1-CD2 3.81Å; F97-F99 HydrophobicContact CD1-CD2 3.81Å; F97-F99 AromaticContact CD1-CE1 3.45Å; F97-F99 HydrophobicContact CD1-CE1 3.45Å; F97-F99 VanDerWaalsContact CD1-CE1 3.45Å; F97-F99 AromaticContact CD1-CE2 3.82Å; F97-F99 HydrophobicContact CD1-CE2 3.82Å; F97-F99 AromaticContact CD1-CG 3.64Å; F97-F99 HydrophobicContact CD1-CG 3.64Å; F97-F99 AromaticContact CD1-CZ 3.66Å; F97-F99 HydrophobicContact CD1-CZ 3.66Å; F97-F99 AromaticContact CE1-CD1 3.53Å; F97-F99 HydrophobicContact CE1-CD1 3.53Å; F97-F99 AromaticContact CE1-CE1 3.73Å; F97-F99 HydrophobicContact CE1-CE1 3.73Å; F97-F99 HydrophobicContact CE1-CG 4.02Å; F97-F99 HydrophobicContact CE1-CZ 4.39Å; F97-F99 HydrophobicContact CG-CZ 4.41Å; F97-F99 WeakPolarHBondContact O-CD2 3.39Å; F97-F99 PolarHBondContact O-N 2.8Å; F97-K102 HydrophobicContact CE1-CD 4.08Å; F97-K102 HydrophobicContact CZ-CD 3.56Å; F97-A184 HydrophobicContact CB-CB 4.36Å; F97-A184 HydrophobicContact CD1-CB 4.07Å; F97-A184 HydrophobicContact CD2-CB 4.34Å; F97-A184 HydrophobicContact CE1-CB 4.39Å; F97-A184 HydrophobicContact CG-CB 4.01Å
98N87.5Confident88.7Confident79 Ų7959.5 Ų59.542%0.42235%0.345SS..  trans-89.282.5179.1-172.43.8000111.7V100 G101 K102N98-V100 VanDerWaalsContact C-N 3.32Å; N98-V100 PolarHBondContact O-N 3.47Å; N98-V100 PolarHBondContact OD1-N 3.24Å; N98-G101 PolarHBondContact O-N 3.33Å; N98-G101 PolarHBondContact OD1-N 3.32Å; N98-K102 PolarHBondContact O-N 3.46Å; N98-K102 VanDerWaalsContact O-N 3.13Å
99F90.7Very high88.6Confident3 Ų355.3 Ų55.31%0.01333%0.33CS..Hα-helixtrans-58.4-42175.5-63.9-81000112.7I89 P90 V91 H94 F97 K102 L103 L182 A184I89-F99 HydrophobicContact CG2-CB 3.51Å; I89-F99 HydrophobicContact CG2-CD1 4.01Å; I89-F99 HydrophobicContact CG2-CD2 3.62Å; I89-F99 HydrophobicContact CG2-CE2 4.32Å; I89-F99 HydrophobicContact CG2-CG 3.43Å; I89-F99 VanDerWaalsContact CG2-CG 3.43Å; P90-F99 HydrophobicContact CG-CE1 4.24Å; P90-F99 HydrophobicContact CG-CZ 4.1Å; V91-F99 HydrophobicContact CG1-CD2 4.01Å; V91-F99 HydrophobicContact CG1-CE2 4.36Å; H94-F99 HydrophobicContact CB-CE2 4.16Å; H94-F99 HydrophobicContact CB-CZ 3.95Å; F97-F99 HydrophobicContact CB-CE2 4.2Å; F97-F99 HydrophobicContact CB-CZ 4.38Å; F97-F99 HydrophobicContact CD1-CB 4.44Å; F97-F99 AromaticContact CD1-CD1 3.45Å; F97-F99 HydrophobicContact CD1-CD1 3.45Å; F97-F99 VanDerWaalsContact CD1-CD1 3.45Å; F97-F99 AromaticContact CD1-CD2 3.81Å; F97-F99 HydrophobicContact CD1-CD2 3.81Å; F97-F99 AromaticContact CD1-CE1 3.45Å; F97-F99 HydrophobicContact CD1-CE1 3.45Å; F97-F99 VanDerWaalsContact CD1-CE1 3.45Å; F97-F99 AromaticContact CD1-CE2 3.82Å; F97-F99 HydrophobicContact CD1-CE2 3.82Å; F97-F99 AromaticContact CD1-CG 3.64Å; F97-F99 HydrophobicContact CD1-CG 3.64Å; F97-F99 AromaticContact CD1-CZ 3.66Å; F97-F99 HydrophobicContact CD1-CZ 3.66Å; F97-F99 AromaticContact CE1-CD1 3.53Å; F97-F99 HydrophobicContact CE1-CD1 3.53Å; F97-F99 AromaticContact CE1-CE1 3.73Å; F97-F99 HydrophobicContact CE1-CE1 3.73Å; F97-F99 HydrophobicContact CE1-CG 4.02Å; F97-F99 HydrophobicContact CE1-CZ 4.39Å; F97-F99 HydrophobicContact CG-CZ 4.41Å; F97-F99 WeakPolarHBondContact O-CD2 3.39Å; F97-F99 PolarHBondContact O-N 2.8Å; F99-K102 PolarHBondContact O-N 2.94Å; F99-L103 VanDerWaalsContact O-CB 3.23Å; F99-L103 WeakPolarHBondContact O-CB 3.45Å; F99-L103 PolarHBondContact O-N 3.5Å; F99-L182 VanDerWaalsContact CE1-O 3.32Å; F99-L182 WeakPolarHBondContact CE1-O 3.43Å; F99-A184 HydrophobicContact CE1-CB 4Å; F99-A184 HydrophobicContact CZ-CB 3.93Å
100V91.1Very high88.6Confident14 Ų1455.6 Ų55.69%0.08533%0.332CS..Hα-helixtrans-65.6-42.7-177.2-178.10000110.8N98 L103 M104 V124 L154N98-V100 VanDerWaalsContact C-N 3.32Å; N98-V100 PolarHBondContact O-N 3.47Å; N98-V100 PolarHBondContact OD1-N 3.24Å; V100-L103 PolarHBondContact O-N 3.16Å; V100-M104 HydrophobicContact CG1-CE 3.67Å; V100-M104 HydrophobicContact CG1-CG 4.33Å; V100-M104 HydrophobicContact CG1-SD 4.28Å; V100-M104 WeakPolarHBondContact O-CB 3.32Å; V100-M104 WeakPolarHBondContact O-CG 3.39Å; V100-M104 PolarHBondContact O-N 3.42Å; V100-V124 HydrophobicContact CG1-CG1 4.2Å; V100-V124 HydrophobicContact CG2-CG1 4.05Å; V100-L154 HydrophobicContact CG2-CD1 4.17Å; V100-L154 HydrophobicContact CG2-CD2 3.84Å
101G89.5Confident88.8Confident25 Ų2554.9 Ų54.926%0.25833%0.326SS..Hα-helixtrans-62.3-46.9175.900000112.5N98 L103 G105N98-G101 PolarHBondContact O-N 3.33Å; N98-G101 PolarHBondContact OD1-N 3.32Å; G101-L103 VanDerWaalsContact C-N 3.33Å; G101-L103 PolarHBondContact O-N 2.92Å; G101-G105 PolarHBondContact O-N 3.05Å
102K89.5Confident89.1Confident9 Ų958.8 Ų58.84%0.03934%0.339CS..Hα-helixtrans-62.2-40.5176.2-175.8176174.6-176.60111.9F97 N98 F99 P180 Y181 D192 I194 V195 Q198F97-K102 HydrophobicContact CE1-CD 4.08Å; F97-K102 HydrophobicContact CZ-CD 3.56Å; N98-K102 PolarHBondContact O-N 3.46Å; N98-K102 VanDerWaalsContact O-N 3.13Å; F99-K102 PolarHBondContact O-N 2.94Å; K102-P180 PolarHBondContact NZ-O 3.46Å; K102-Y181 HydrophobicContact CG-CD1 4.11Å; K102-D192 VanDerWaalsContact CE-OD1 3.31Å; K102-D192 WeakPolarHBondContact CE-OD1 3.03Å; K102-D192 VanDerWaalsContact CE-OD2 3.28Å; K102-D192 WeakPolarHBondContact CE-OD2 3.48Å; K102-D192 IonicContact NZ-OD1 3.08Å; K102-D192 PolarHBondContact NZ-OD1 3.44Å; K102-D192 IonicContact NZ-OD2 2.95Å; K102-D192 PolarHBondContact NZ-OD2 3.25Å; K102-I194 HydrophobicContact CG-CG2 3.94Å; K102-V195 HydrophobicContact CD-CG2 4.17Å; K102-V195 HydrophobicContact CG-CG2 4.3Å; K102-Q198 PolarHBondContact O-NE2 3.3Å
103L92.3Very high89.4Confident1 Ų158.1 Ų58.11%0.00533%0.331CS..Hα-helixtrans-71.7-43.2-179.3-178.761.6000112.8F99 V100 G101 L111 M114 V124 V156 L178 Y181F99-L103 VanDerWaalsContact O-CB 3.23Å; F99-L103 WeakPolarHBondContact O-CB 3.45Å; F99-L103 PolarHBondContact O-N 3.5Å; V100-L103 PolarHBondContact O-N 3.16Å; G101-L103 VanDerWaalsContact C-N 3.33Å; G101-L103 PolarHBondContact O-N 2.92Å; L103-L111 HydrophobicContact CD1-CD1 4.23Å; L103-L111 HydrophobicContact CD2-CD1 4.48Å; L103-L111 HydrophobicContact CG-CD1 4.11Å; L103-L111 PolarHBondContact O-N 3.39Å; L103-M114 HydrophobicContact CD1-CE 4.31Å; L103-M114 HydrophobicContact CD1-SD 4.49Å; L103-V124 HydrophobicContact CD2-CG2 3.93Å; L103-V156 HydrophobicContact CD2-CG2 3.61Å; L103-L178 HydrophobicContact CD1-CD2 3.52Å; L103-L178 HydrophobicContact CD2-CD2 4.36Å; L103-Y181 HydrophobicContact CD1-CD1 4.17Å; L103-Y181 HydrophobicContact CD1-CD2 4.5Å; L103-Y181 HydrophobicContact CD1-CG 3.94Å
104M91.8Very high89.8Confident79 Ų7949 Ų4939%0.38930%0.296SS..Hα-helixtrans-72.4-39.7178.6-70.9-161.6-60.500112.3V100 G108 G109 T110 L111V100-M104 HydrophobicContact CG1-CE 3.67Å; V100-M104 HydrophobicContact CG1-CG 4.33Å; V100-M104 HydrophobicContact CG1-SD 4.28Å; V100-M104 WeakPolarHBondContact O-CB 3.32Å; V100-M104 WeakPolarHBondContact O-CG 3.39Å; V100-M104 PolarHBondContact O-N 3.42Å; M104-G108 CarbonylContact O-C 3.59Å; M104-G108 WeakPolarHBondContact O-CA 3.4Å; M104-G109 PolarHBondContact O-N 3.01Å; M104-T110 WeakPolarHBondContact O-CB 3.47Å; M104-T110 PolarHBondContact O-N 3.17Å; M104-L111 HydrophobicContact CG-CD2 4.44Å; M104-L111 PolarHBondContact O-N 3.34Å
105G88.2Confident90.3Very high15 Ų1548.3 Ų48.316%0.15529%0.293CS..  trans65.9-173.1-173.100000113.3G101 G107 G108G101-G105 PolarHBondContact O-N 3.05Å; G105-G107 PolarHBondContact O-N 3.02Å; G105-G108 PolarHBondContact O-N 3.4Å
106P89.4Confident90.8Very high34 Ų3449.7 Ų49.722%0.22129%0.291CS..G310 helixtrans-63.4124.6-178.927.3-34.3000110.9G108 G109 L202P106-G108 PolarHBondContact O-N 3.26Å; P106-G109 PolarHBondContact O-N 3.16Å; P106-L202 HydrophobicContact CB-CD1 4.26Å; P106-L202 HydrophobicContact CB-CD2 3.52Å; P106-L202 HydrophobicContact CB-CG 3.75Å; P106-L202 HydrophobicContact CG-CG 4.37Å
107G86.3Confident91.3Very high95 Ų9550.3 Ų50.398%0.97929%0.287SS*.G310 helixtrans62.212.5-179.400000115.4G105 G109G105-G107 PolarHBondContact O-N 3.02Å; G107-G109 VanDerWaalsContact C-N 3.27Å
108G89.5Confident91.8Very high26 Ų2649.6 Ų49.627%0.26829%0.285SS..G310 helixtrans78.38.6-172.800000114.3M104 G105 P106 T110 L111 K112M104-G108 CarbonylContact O-C 3.59Å; M104-G108 WeakPolarHBondContact O-CA 3.4Å; G105-G108 PolarHBondContact O-N 3.4Å; P106-G108 PolarHBondContact O-N 3.26Å; G108-T110 VanDerWaalsContact C-N 3.34Å; G108-T110 PolarHBondContact O-N 3Å; G108-L111 PolarHBondContact O-N 3.03Å; G108-K112 WeakPolarHBondContact O-CB 3.31Å; G108-K112 PolarHBondContact O-N 2.79Å; G108-K112 VanDerWaalsContact O-N 3.11Å
109G92Very high92.1Very high25 Ų2547.9 Ų47.926%0.25829%0.285SS..Hα-helixtrans-63.9-35.5-17500000113.5M104 P106 G107 K112 K113M104-G109 PolarHBondContact O-N 3.01Å; P106-G109 PolarHBondContact O-N 3.16Å; G107-G109 VanDerWaalsContact C-N 3.27Å; G109-K112 PolarHBondContact O-N 3.27Å; G109-K113 WeakPolarHBondContact O-CB 3.38Å; G109-K113 WeakPolarHBondContact O-CG 3.41Å; G109-K113 PolarHBondContact O-N 2.86Å
110T92.5Very high92.3Very high14 Ų1448.1 Ų48.19%0.08629%0.287CS..Hα-helixtrans-66.9-47.9-179.9-56.50000111.4M104 G108 K112 K113 M114 Y181 Q198M104-T110 WeakPolarHBondContact O-CB 3.47Å; M104-T110 PolarHBondContact O-N 3.17Å; G108-T110 VanDerWaalsContact C-N 3.34Å; G108-T110 PolarHBondContact O-N 3Å; T110-K112 VanDerWaalsContact C-N 3.33Å; T110-K112 PolarHBondContact O-N 3.37Å; T110-K113 PolarHBondContact O-N 2.81Å; T110-M114 WeakPolarHBondContact O-CB 3.4Å; T110-M114 PolarHBondContact O-N 3.41Å; T110-Y181 HydrophobicContact CG2-CE1 3.65Å; T110-Y181 WeakPolarHBondContact CG2-OH 3.23Å; T110-Q198 PolarHBondContact OG1-NE2 3.16Å
111L93.9Very high92.6Very high19 Ų1953 Ų5310%0.09931%0.307CS..Hα-helixtrans-62.7-41.8177.4-17467.3000111.2L103 M104 G108 M114 Q115 L122L103-L111 HydrophobicContact CD1-CD1 4.23Å; L103-L111 HydrophobicContact CD2-CD1 4.48Å; L103-L111 HydrophobicContact CG-CD1 4.11Å; L103-L111 PolarHBondContact O-N 3.39Å; M104-L111 HydrophobicContact CG-CD2 4.44Å; M104-L111 PolarHBondContact O-N 3.34Å; G108-L111 PolarHBondContact O-N 3.03Å; L111-M114 PolarHBondContact O-N 2.9Å; L111-Q115 WeakPolarHBondContact O-CG 3.2Å; L111-Q115 PolarHBondContact O-N 3.31Å; L111-L122 HydrophobicContact CD1-CB 3.74Å; L111-L122 HydrophobicContact CD1-CD1 3.87Å; L111-L122 HydrophobicContact CD1-CG 4.47Å; L111-L122 HydrophobicContact CG-CB 4.45Å
112K94.7Very high92.9Very high128 Ų12852 Ų5256%0.55730%0.296SS*.Hα-helixtrans-63.7-46.9177.8-171.7178.7175.4-1740112.3G108 G109 T110 M114 Q115 E116G108-K112 WeakPolarHBondContact O-CB 3.31Å; G108-K112 PolarHBondContact O-N 2.79Å; G108-K112 VanDerWaalsContact O-N 3.11Å; G109-K112 PolarHBondContact O-N 3.27Å; T110-K112 VanDerWaalsContact C-N 3.33Å; T110-K112 PolarHBondContact O-N 3.37Å; K112-M114 VanDerWaalsContact C-N 3.29Å; K112-M114 PolarHBondContact O-N 3.31Å; K112-Q115 WeakPolarHBondContact O-CB 3.48Å; K112-Q115 PolarHBondContact O-N 3.09Å; K112-E116 WeakPolarHBondContact CE-OE1 3.45Å; K112-E116 WeakPolarHBondContact O-CG 3.49Å; K112-E116 PolarHBondContact O-N 3.25Å
113K94.3Very high93.1Very high113 Ų11353.3 Ų53.349%0.49131%0.307SS..Hα-helixtrans-56.7-43.5174.9-75.7172-178.2177.80111.2G109 T110 E116 K117 E201G109-K113 WeakPolarHBondContact O-CB 3.38Å; G109-K113 WeakPolarHBondContact O-CG 3.41Å; G109-K113 PolarHBondContact O-N 2.86Å; T110-K113 PolarHBondContact O-N 2.81Å; K113-E116 PolarHBondContact O-N 3.34Å; K113-K117 WeakPolarHBondContact O-CB 3.25Å; K113-K117 PolarHBondContact O-N 2.83Å; K113-E201 IonicContact NZ-OE1 3.02Å; K113-E201 PolarHBondContact NZ-OE1 3.1Å; K113-E201 IonicContact NZ-OE2 3.95Å
114M94.6Very high93.2Very high10 Ų1054.6 Ų54.65%0.04932%0.315CS..Hα-helixtrans-63.9-42.9177.9-175.4-174.9-70.600112L103 T110 L111 K112 K117 L118 L122 E177 L178 Y181L103-M114 HydrophobicContact CD1-CE 4.31Å; L103-M114 HydrophobicContact CD1-SD 4.49Å; T110-M114 WeakPolarHBondContact O-CB 3.4Å; T110-M114 PolarHBondContact O-N 3.41Å; L111-M114 PolarHBondContact O-N 2.9Å; K112-M114 VanDerWaalsContact C-N 3.29Å; K112-M114 PolarHBondContact O-N 3.31Å; M114-K117 PolarHBondContact O-N 2.94Å; M114-L118 HydrophobicContact CG-CD1 3.73Å; M114-L118 WeakPolarHBondContact O-CB 3.44Å; M114-L118 WeakPolarHBondContact O-CG 3.46Å; M114-L118 PolarHBondContact O-N 2.78Å; M114-L118 VanDerWaalsContact O-N 3.12Å; M114-L122 HydrophobicContact CB-CD1 4.32Å; M114-L122 HydrophobicContact CG-CD1 3.76Å; M114-L122 HydrophobicContact SD-CD1 3.47Å; M114-L122 WeakPolarHBondContact SD-CD1 3.36Å; M114-E177 HydrophobicContact CE-CB 4.44Å; M114-E177 HydrophobicContact SD-CB 4.48Å; M114-L178 HydrophobicContact CE-CD2 4.34Å; M114-L178 HydrophobicContact SD-CD2 3.66Å; M114-L178 HydrophobicContact SD-CG 4.1Å; M114-Y181 HydrophobicContact CE-CD2 3.58Å; M114-Y181 HydrophobicContact CE-CE1 4.5Å; M114-Y181 HydrophobicContact CE-CE2 3.18Å; M114-Y181 HydrophobicContact CE-CG 4.38Å
115Q95.4Very high93.2Very high54 Ų5452.4 Ų52.425%0.25230%0.304SS..Hα-helixtrans-61.5-43.6175.9-74.4-177.6-114.500112.8L111 K112 G119 V120 L122L111-Q115 WeakPolarHBondContact O-CG 3.2Å; L111-Q115 PolarHBondContact O-N 3.31Å; K112-Q115 WeakPolarHBondContact O-CB 3.48Å; K112-Q115 PolarHBondContact O-N 3.09Å; Q115-G119 WeakPolarHBondContact O-CA 3.27Å; Q115-G119 PolarHBondContact O-N 2.66Å; Q115-V120 WeakPolarHBondContact CA-O 3.39Å; Q115-V120 WeakPolarHBondContact CB-O 3.41Å; Q115-V120 WeakPolarHBondContact CG-O 3.47Å; Q115-V120 PolarHBondContact O-N 3.5Å; Q115-L122 HydrophobicContact CG-CB 3.67Å; Q115-L122 HydrophobicContact CG-CD1 3.96Å; Q115-L122 HydrophobicContact CG-CG 3.74Å; Q115-L122 PolarHBondContact OE1-O 2.87Å
116E95.3Very high93.5Very high131 Ų13151.7 Ų51.761%0.61230%0.296SS*.Hα-helixtrans-65.6-43.8178-72172-175.200111.6K112 K113 L118 G119K112-E116 WeakPolarHBondContact CE-OE1 3.45Å; K112-E116 WeakPolarHBondContact O-CG 3.49Å; K112-E116 PolarHBondContact O-N 3.25Å; K113-E116 PolarHBondContact O-N 3.34Å; E116-L118 PolarHBondContact O-N 2.84Å; E116-G119 PolarHBondContact O-N 3Å
117K94.9Very high93.5Very high151 Ų15158.9 Ų58.966%0.65732%0.319SS*.Hα-helixtrans-60.6-43.7178.9-174.8-176.8-179.5-171.40112.6K113 M114 E177K113-K117 WeakPolarHBondContact O-CB 3.25Å; K113-K117 PolarHBondContact O-N 2.83Å; M114-K117 PolarHBondContact O-N 2.94Å; K117-E177 WeakPolarHBondContact CE-OE1 3.49Å; K117-E177 IonicContact NZ-OE1 2.71Å; K117-E177 PolarHBondContact NZ-OE1 2.97Å
118L94.2Very high93.6Very high17 Ų1756.4 Ų56.49%0.08929%0.293CS..Hα-helixtrans-89.1-17.5-174.7-67.2169.3000113.3M114 E116 V120 D173 A174 E177M114-L118 HydrophobicContact CG-CD1 3.73Å; M114-L118 WeakPolarHBondContact O-CB 3.44Å; M114-L118 WeakPolarHBondContact O-CG 3.46Å; M114-L118 PolarHBondContact O-N 2.78Å; M114-L118 VanDerWaalsContact O-N 3.12Å; E116-L118 PolarHBondContact O-N 2.84Å; L118-V120 VanDerWaalsContact C-N 3.29Å; L118-V120 HydrophobicContact CB-CG1 4.31Å; L118-V120 HydrophobicContact CB-CG2 3.75Å; L118-V120 HydrophobicContact CD1-CG2 4.15Å; L118-V120 PolarHBondContact O-N 2.86Å; L118-D173 HydrophobicContact CD2-CB 3.59Å; L118-A174 HydrophobicContact CD1-CB 3.76Å; L118-E177 HydrophobicContact CD1-CB 4.22Å; L118-E177 HydrophobicContact CD1-CG 4.28Å; L118-E177 HydrophobicContact CD2-CG 4.06Å; L118-E177 HydrophobicContact CG-CG 4.49Å
119G94.3Very high93.6Very high42 Ų4256.3 Ų56.343%0.43329%0.289SS..THydrogen-bonded Turntrans62.437.2-172.400000112.7Q115 E116Q115-G119 WeakPolarHBondContact O-CA 3.27Å; Q115-G119 PolarHBondContact O-N 2.66Å; E116-G119 PolarHBondContact O-N 3Å
120V95.7Very high93.5Very high9 Ų957.8 Ų57.86%0.05529%0.289CS..  trans-125.7155.8177.9-56.40000111Q115 L118 L122 I158 A160 K170 A174Q115-V120 WeakPolarHBondContact CA-O 3.39Å; Q115-V120 WeakPolarHBondContact CB-O 3.41Å; Q115-V120 WeakPolarHBondContact CG-O 3.47Å; Q115-V120 PolarHBondContact O-N 3.5Å; L118-V120 VanDerWaalsContact C-N 3.29Å; L118-V120 HydrophobicContact CB-CG1 4.31Å; L118-V120 HydrophobicContact CB-CG2 3.75Å; L118-V120 HydrophobicContact CD1-CG2 4.15Å; L118-V120 PolarHBondContact O-N 2.86Å; V120-L122 HydrophobicContact CG2-CD2 3.86Å; V120-L122 HydrophobicContact CG2-CG 3.98Å; V120-I158 HydrophobicContact CB-CG2 4.43Å; V120-I158 HydrophobicContact CG2-CG2 4.37Å; V120-A160 HydrophobicContact CG1-CB 3.96Å; V120-K170 HydrophobicContact CG1-CB 3.7Å; V120-K170 HydrophobicContact CG1-CD 4.2Å; V120-K170 HydrophobicContact CG1-CG 4.33Å; V120-A174 HydrophobicContact CG2-CB 4.26Å
121K95.6Very high93.1Very high116 Ų11666.8 Ų66.850%0.50432%0.322SS..EExtended strand (participates in β ladder)trans-94.6116.7172.7-180173.2176.2-177.30109.5Q159K121-Q159 HydrophobicContact CB-CB 4.21Å; K121-Q159 PolarHBondContact N-O 2.98Å; K121-Q159 PolarHBondContact O-N 3.42Å
122L95.7Very high92.8Very high3 Ų368.4 Ų68.42%0.01633%0.332CS..EExtended strand (participates in β ladder)trans-103.5137.7176-59.8176.9000109.2L111 M114 Q115 V120 R157 I158 L178L111-L122 HydrophobicContact CD1-CB 3.74Å; L111-L122 HydrophobicContact CD1-CD1 3.87Å; L111-L122 HydrophobicContact CD1-CG 4.47Å; L111-L122 HydrophobicContact CG-CB 4.45Å; M114-L122 HydrophobicContact CB-CD1 4.32Å; M114-L122 HydrophobicContact CG-CD1 3.76Å; M114-L122 HydrophobicContact SD-CD1 3.47Å; M114-L122 WeakPolarHBondContact SD-CD1 3.36Å; Q115-L122 HydrophobicContact CG-CB 3.67Å; Q115-L122 HydrophobicContact CG-CD1 3.96Å; Q115-L122 HydrophobicContact CG-CG 3.74Å; Q115-L122 PolarHBondContact OE1-O 2.87Å; V120-L122 HydrophobicContact CG2-CD2 3.86Å; V120-L122 HydrophobicContact CG2-CG 3.98Å; L122-R157 CarbonylContact C-O 3.43Å; L122-R157 WeakPolarHBondContact CA-O 3.49Å; L122-I158 HydrophobicContact CD2-CB 4.16Å; L122-I158 HydrophobicContact CD2-CG1 3.75Å; L122-I158 HydrophobicContact CD2-CG2 4.04Å; L122-L178 HydrophobicContact CD2-CD1 4.34Å
123S94.1Very high92.4Very high38 Ų3865.5 Ų65.527%0.26633%0.332SS..EExtended strand (participates in β ladder)trans-145.1125.6176-64.70000110.4R157S123-R157 PolarHBondContact N-O 3.4Å; S123-R157 PolarHBondContact O-N 3.32Å
124V94.5Very high92.1Very high28 Ų2863.3 Ų63.317%0.1733%0.331CS..EExtended strand (participates in β ladder)trans-77.3126.1171.5-175.40000107.8V100 L103 L154V100-V124 HydrophobicContact CG1-CG1 4.2Å; V100-V124 HydrophobicContact CG2-CG1 4.05Å; L103-V124 HydrophobicContact CD2-CG2 3.93Å; V124-L154 HydrophobicContact CG1-CD1 4.04Å
125M92.6Very high91.8Very high33 Ų3367.5 Ų67.516%0.16335%0.351CS..EExtended strand (participates in β ladder)trans-136.9162.2-175.6-62.7-169.883.600109.4H149 Q155 R157M125-H149 HydrophobicContact CE-CB 3.64Å; M125-H149 VanDerWaalsContact CE-CG 3.48Å; M125-Q155 HydrophobicContact CB-CG 4.22Å; M125-Q155 PolarHBondContact N-O 3.2Å; M125-Q155 PolarHBondContact O-N 2.95Å; M125-R157 HydrophobicContact CG-CB 4.39Å; M125-R157 HydrophobicContact SD-CB 3.88Å; M125-R157 WeakPolarHBondContact SD-CD 3.32Å; M125-R157 HydrophobicContact SD-CG 4.32Å
126G93Very high91.5Very high0 Ų065.5 Ų65.50%034%0.341CS..SBendtrans106.4178.1177.200000113.4G128 S129 H149 E152G126-G128 PolarHBondContact O-N 3.44Å; G126-S129 WeakPolarHBondContact O-CB 3.47Å; G126-S129 PolarHBondContact O-N 2.89Å; G126-S129 VanDerWaalsContact O-N 3.16Å; G126-S129 PolarHBondContact O-OG 2.82Å; G126-H149 VanDerWaalsContact CA-O 3.26Å; G126-H149 WeakPolarHBondContact CA-O 3.24Å; G126-E152 WeakPolarHBondContact CA-O 3.49Å
127R90.7Very high91.1Very high184 Ų18464.1 Ų64.169%0.69434%0.338SS*.THydrogen-bonded Turntrans-60.6131.1175.6-169.2179.9179.5-175.1-0.6111.2S129 E136 L150 E152 L154R127-S129 VanDerWaalsContact C-N 3.3Å; R127-E136 WeakPolarHBondContact CA-OE1 3.19Å; R127-E136 WeakPolarHBondContact CG-OE1 3.23Å; R127-L150 WeakPolarHBondContact CA-O 3.3Å; R127-L150 WeakPolarHBondContact CB-O 3.46Å; R127-L150 PolarHBondContact N-O 3.14Å; R127-E152 PolarHBondContact N-O 3.03Å; R127-L154 WeakPolarHBondContact O-CB 3.26Å
128G89Confident90.9Very high43 Ų4363.2 Ų63.244%0.44334%0.336SS..THydrogen-bonded Turntrans77.310.5-17600000114.6G126 M130 E136G126-G128 PolarHBondContact O-N 3.44Å; G128-M130 VanDerWaalsContact C-N 3.3Å; G128-E136 VanDerWaalsContact CA-OE2 3.23Å; G128-E136 WeakPolarHBondContact CA-OE2 3.44Å; G128-E136 VanDerWaalsContact N-CD 3.3Å; G128-E136 PolarHBondContact N-OE1 3.41Å; G128-E136 PolarHBondContact N-OE2 2.8Å
129S89.4Confident90.6Very high24 Ų2463.5 Ų63.517%0.16834%0.34CS..  trans-73.7-24.3172.660.40000112.2G126 R127G126-S129 WeakPolarHBondContact O-CB 3.47Å; G126-S129 PolarHBondContact O-N 2.89Å; G126-S129 VanDerWaalsContact O-N 3.16Å; G126-S129 PolarHBondContact O-OG 2.82Å; R127-S129 VanDerWaalsContact C-N 3.3Å
130M88.5Confident90.2Very high56 Ų5664.4 Ų64.428%0.27633%0.334SS..SBendtrans-84.1143.3175.8-66.3-173.767.700111G128 V132 Q135 E136 C139 L150G128-M130 VanDerWaalsContact C-N 3.3Å; M130-V132 PolarHBondContact O-N 3.24Å; M130-Q135 HydrophobicContact CE-CB 3.89Å; M130-E136 HydrophobicContact CB-CB 4.19Å; M130-E136 HydrophobicContact CB-CG 4.44Å; M130-E136 HydrophobicContact CG-CB 4.49Å; M130-E136 HydrophobicContact CG-CG 4.44Å; M130-E136 PolarHBondContact N-OE2 2.8Å; M130-E136 HydrophobicContact SD-CB 4.04Å; M130-E136 HydrophobicContact SD-CG 4.19Å; M130-C139 HydrophobicContact SD-CB 4.49Å; M130-L150 HydrophobicContact CG-CD2 4.31Å; M130-L150 HydrophobicContact SD-CD1 4.12Å; M130-L150 HydrophobicContact SD-CD2 4.39Å
131R84.5Confident89.9Confident203 Ų20367.9 Ų67.977%0.76636%0.364SS*.SBendtrans-61.4-31178.2179.2177171177.9-1.3112.8
132V87.6Confident89.6Confident53 Ų5365.2 Ų65.232%0.32136%0.36SS..  trans-120.9112.7-173.5-175.40000109M130 S134 Q135 E136M130-V132 PolarHBondContact O-N 3.24Å; V132-S134 VanDerWaalsContact C-N 3.3Å; V132-S134 VanDerWaalsContact CG1-OG 3.25Å; V132-S134 WeakPolarHBondContact CG1-OG 3.1Å; V132-S134 PolarHBondContact O-N 2.83Å; V132-Q135 HydrophobicContact CB-CB 4.3Å; V132-Q135 HydrophobicContact CB-CG 4.1Å; V132-Q135 HydrophobicContact CG1-CB 4.47Å; V132-Q135 HydrophobicContact CG1-CG 4.01Å; V132-Q135 PolarHBondContact O-N 2.88Å; V132-E136 PolarHBondContact O-N 3.15Å
133A86Confident89.2Confident67 Ų6768.2 Ų68.255%0.55439%0.391SS*.Hα-helixtrans-65.3-28.7-176.700000113.8E136 N137A133-E136 WeakPolarHBondContact O-CB 3.44Å; A133-E136 PolarHBondContact O-N 3.41Å; A133-N137 PolarHBondContact O-N 2.96Å; A133-N137 PolarHBondContact O-ND2 2.88Å
134S88.6Confident88.9Confident67 Ų6770.4 Ų70.447%0.46940%0.4SS..Hα-helixtrans-65.7-45.1175.958.70000111.7V132 E136 N137 E138V132-S134 VanDerWaalsContact C-N 3.3Å; V132-S134 VanDerWaalsContact CG1-OG 3.25Å; V132-S134 WeakPolarHBondContact CG1-OG 3.1Å; V132-S134 PolarHBondContact O-N 2.83Å; S134-E136 VanDerWaalsContact C-N 3.27Å; S134-E136 PolarHBondContact O-N 3.23Å; S134-N137 PolarHBondContact O-N 3.47Å; S134-E138 WeakPolarHBondContact O-CG 3.37Å; S134-E138 PolarHBondContact O-N 2.84Å; S134-E138 VanDerWaalsContact O-N 3.09Å
135Q88.5Confident88.5Confident99 Ų9974 Ų7446%0.46342%0.424SS..Hα-helixtrans-63.7-34.9175.7-65.6179.7600111.7M130 V132 E138 C139M130-Q135 HydrophobicContact CE-CB 3.89Å; V132-Q135 HydrophobicContact CB-CB 4.3Å; V132-Q135 HydrophobicContact CB-CG 4.1Å; V132-Q135 HydrophobicContact CG1-CB 4.47Å; V132-Q135 HydrophobicContact CG1-CG 4.01Å; V132-Q135 PolarHBondContact O-N 2.88Å; Q135-E138 PolarHBondContact O-N 2.94Å; Q135-C139 WeakPolarHBondContact O-CB 3.41Å; Q135-C139 PolarHBondContact O-N 2.92Å; Q135-C139 PolarHBondContact O-SG 3.1Å
136E87.9Confident88.3Confident11 Ų1179.9 Ų79.95%0.05145%0.449CS..Hα-helixtrans-59-48.1175.3-166.6175.3112.800111.5R127 G128 M130 V132 A133 S134 C139 L140 L150R127-E136 WeakPolarHBondContact CA-OE1 3.19Å; R127-E136 WeakPolarHBondContact CG-OE1 3.23Å; G128-E136 VanDerWaalsContact CA-OE2 3.23Å; G128-E136 WeakPolarHBondContact CA-OE2 3.44Å; G128-E136 VanDerWaalsContact N-CD 3.3Å; G128-E136 PolarHBondContact N-OE1 3.41Å; G128-E136 PolarHBondContact N-OE2 2.8Å; M130-E136 HydrophobicContact CB-CB 4.19Å; M130-E136 HydrophobicContact CB-CG 4.44Å; M130-E136 HydrophobicContact CG-CB 4.49Å; M130-E136 HydrophobicContact CG-CG 4.44Å; M130-E136 PolarHBondContact N-OE2 2.8Å; M130-E136 HydrophobicContact SD-CB 4.04Å; M130-E136 HydrophobicContact SD-CG 4.19Å; V132-E136 PolarHBondContact O-N 3.15Å; A133-E136 WeakPolarHBondContact O-CB 3.44Å; A133-E136 PolarHBondContact O-N 3.41Å; S134-E136 VanDerWaalsContact C-N 3.27Å; S134-E136 PolarHBondContact O-N 3.23Å; E136-C139 PolarHBondContact O-N 3.44Å; E136-L140 WeakPolarHBondContact O-CB 3.11Å; E136-L140 PolarHBondContact O-N 3.23Å; E136-L150 HydrophobicContact CG-CB 4.35Å; E136-L150 HydrophobicContact CG-CD1 3.81Å; E136-L150 HydrophobicContact CG-CD2 3.86Å; E136-L150 HydrophobicContact CG-CG 4.22Å
137N87.6Confident88.2Confident103 Ų10383 Ų8355%0.55146%0.461SS*.Hα-helixtrans-66.4-39179.2-68.8-34.4000112.2A133 S134 L140 A141A133-N137 PolarHBondContact O-N 2.96Å; A133-N137 PolarHBondContact O-ND2 2.88Å; S134-N137 PolarHBondContact O-N 3.47Å; N137-L140 PolarHBondContact O-N 2.85Å; N137-A141 VanDerWaalsContact O-CB 3.29Å; N137-A141 WeakPolarHBondContact O-CB 3.48Å; N137-A141 PolarHBondContact O-N 3.13Å
138E90.5Very high88.1Confident131 Ų13176.7 Ų76.761%0.61245%0.449SS*.Hα-helixtrans-64-43.9174.5-71.1169.8-162.700111.7S134 Q135 L140 A141 S142S134-E138 WeakPolarHBondContact O-CG 3.37Å; S134-E138 PolarHBondContact O-N 2.84Å; S134-E138 VanDerWaalsContact O-N 3.09Å; Q135-E138 PolarHBondContact O-N 2.94Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.35Å; E138-A141 PolarHBondContact O-N 3.4Å; E138-S142 PolarHBondContact O-N 3.24Å
139C87.8Confident88.2Confident24 Ų2476.4 Ų76.416%0.16244%0.435CS..Hα-helixtrans-63.7-38.4176.2-70.30000111.6M130 Q135 E136 S142 Y147 L150M130-C139 HydrophobicContact SD-CB 4.49Å; Q135-C139 WeakPolarHBondContact O-CB 3.41Å; Q135-C139 PolarHBondContact O-N 2.92Å; Q135-C139 PolarHBondContact O-SG 3.1Å; E136-C139 PolarHBondContact O-N 3.44Å; C139-S142 WeakPolarHBondContact O-CB 3.29Å; C139-S142 PolarHBondContact O-N 3.18Å; C139-S142 PolarHBondContact O-OG 2.97Å; C139-Y147 HydrophobicContact CB-CD1 3.96Å; C139-Y147 HydrophobicContact CB-CD2 3.78Å; C139-Y147 HydrophobicContact CB-CE1 4.24Å; C139-Y147 HydrophobicContact CB-CE2 4.07Å; C139-Y147 HydrophobicContact CB-CG 3.75Å; C139-Y147 WeakPolarHBondContact O-CD2 3.45Å; C139-L150 HydrophobicContact CB-CD1 4Å
140L86.7Confident88.3Confident60 Ų6075.4 Ų75.431%0.31443%0.428SS..Hα-helixtrans-68.7-38.9175.3-171150.4000111.7E136 N137 E138 S142 G143 L150 K151E136-L140 WeakPolarHBondContact O-CB 3.11Å; E136-L140 PolarHBondContact O-N 3.23Å; N137-L140 PolarHBondContact O-N 2.85Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.35Å; L140-S142 VanDerWaalsContact C-N 3.29Å; L140-S142 PolarHBondContact O-N 3.21Å; L140-G143 PolarHBondContact O-N 3.29Å; L140-L150 HydrophobicContact CB-CD1 4.48Å; L140-L150 HydrophobicContact CD1-CB 3.99Å; L140-K151 HydrophobicContact CD1-CG 3.66Å; L140-K151 HydrophobicContact CG-CG 4.2Å
141A89Confident88.4Confident83 Ų8380.4 Ų80.469%0.68645%0.448SS*.Hα-helixtrans-67.9-27.2175.600000112.9N137 E138 G143N137-A141 VanDerWaalsContact O-CB 3.29Å; N137-A141 WeakPolarHBondContact O-CB 3.48Å; N137-A141 PolarHBondContact O-N 3.13Å; E138-A141 PolarHBondContact O-N 3.4Å; A141-G143 PolarHBondContact O-N 2.99Å; A141-G143 VanDerWaalsContact O-N 3.09Å
142S88.9Confident88.8Confident60 Ų6074.3 Ų74.342%0.4243%0.429SS..THydrogen-bonded Turntrans-61.7-16.1176.578.50000114.1E138 C139 L140 N144E138-S142 PolarHBondContact O-N 3.24Å; C139-S142 WeakPolarHBondContact O-CB 3.29Å; C139-S142 PolarHBondContact O-N 3.18Å; C139-S142 PolarHBondContact O-OG 2.97Å; L140-S142 VanDerWaalsContact C-N 3.29Å; L140-S142 PolarHBondContact O-N 3.21Å; S142-N144 PolarHBondContact O-N 3.2Å; S142-N144 PolarHBondContact OG-ND2 3.14Å
143G87.1Confident89Confident65 Ų6578.3 Ų78.367%0.6744%0.442SS*.  trans73.9-0.3177.500000115.3L140 A141L140-G143 PolarHBondContact O-N 3.29Å; A141-G143 PolarHBondContact O-N 2.99Å; A141-G143 VanDerWaalsContact O-N 3.09Å
144N88.6Confident89.4Confident85 Ų8575.9 Ų75.946%0.45542%0.419SS..  trans-66.2134-177.9-70.6-54.3000112S142 K146 Y147S142-N144 PolarHBondContact O-N 3.2Å; S142-N144 PolarHBondContact OG-ND2 3.14Å; N144-K146 PolarHBondContact O-N 3.39Å; N144-K146 VanDerWaalsContact O-N 3.14Å; N144-Y147 HydrophobicContact CB-CD2 3.9Å; N144-Y147 HydrophobicContact CB-CE2 4.37Å; N144-Y147 PolarHBondContact O-N 3.08Å
145P87Confident89.7Confident104 Ų10473.2 Ų73.268%0.67540%0.399SS*.G310 helixtrans-62.5-25.9-179.925.1-34.1000112.4Y147 A148P145-Y147 PolarHBondContact O-N 2.71Å; P145-A148 VanDerWaalsContact O-CB 3.27Å; P145-A148 WeakPolarHBondContact O-CB 3.3Å; P145-A148 PolarHBondContact O-N 2.91Å; P145-A148 VanDerWaalsContact O-N 3.11Å
146K87.8Confident90Very high155 Ų15568.5 Ų68.567%0.67438%0.377SS*.G310 helixtrans-53.5-35.7171.7-174.1179.2179-176.60112.4N144 H149N144-K146 PolarHBondContact O-N 3.39Å; N144-K146 VanDerWaalsContact O-N 3.14Å; K146-H149 PolarHBondContact O-CE1 2.75Å; K146-H149 PolarHBondContact O-ND1 2.85Å
147Y90Very high90.3Very high65 Ų6571.5 Ų71.526%0.25539%0.388SS..G310 helixtrans-100.25-178-57.6-57.9000113.7C139 N144 P145 H149 L150C139-Y147 HydrophobicContact CB-CD1 3.96Å; C139-Y147 HydrophobicContact CB-CD2 3.78Å; C139-Y147 HydrophobicContact CB-CE1 4.24Å; C139-Y147 HydrophobicContact CB-CE2 4.07Å; C139-Y147 HydrophobicContact CB-CG 3.75Å; C139-Y147 WeakPolarHBondContact O-CD2 3.45Å; N144-Y147 HydrophobicContact CB-CD2 3.9Å; N144-Y147 HydrophobicContact CB-CE2 4.37Å; N144-Y147 PolarHBondContact O-N 3.08Å; P145-Y147 PolarHBondContact O-N 2.71Å; Y147-H149 PolarHBondContact O-N 2.96Å; Y147-H149 VanDerWaalsContact O-N 3.14Å; Y147-L150 HydrophobicContact CD1-CD1 4.22Å; Y147-L150 HydrophobicContact CG-CD1 4.34Å; Y147-L150 WeakPolarHBondContact O-CB 3.29Å; Y147-L150 WeakPolarHBondContact O-CG 3.12Å; Y147-L150 PolarHBondContact O-N 3.18Å
148A90.3Very high90.7Very high53 Ų5366.6 Ų66.644%0.43836%0.362SS..G310 helixtrans-57.3-33.3-179.800000112.9P145 L150 K151P145-A148 VanDerWaalsContact O-CB 3.27Å; P145-A148 WeakPolarHBondContact O-CB 3.3Å; P145-A148 PolarHBondContact O-N 2.91Å; P145-A148 VanDerWaalsContact O-N 3.11Å; A148-L150 PolarHBondContact O-N 3.2Å; A148-K151 WeakPolarHBondContact O-CB 3.45Å; A148-K151 PolarHBondContact O-N 2.71Å
149H90.4Very high90.8Very high36 Ų3662.7 Ų62.717%0.16734%0.344CS..G310 helixtrans-60.2-22.8176.266.8-68.4000114.3M125 G126 K146 Y147 K151 E152M125-H149 HydrophobicContact CE-CB 3.64Å; M125-H149 VanDerWaalsContact CE-CG 3.48Å; G126-H149 VanDerWaalsContact CA-O 3.26Å; G126-H149 WeakPolarHBondContact CA-O 3.24Å; K146-H149 PolarHBondContact O-CE1 2.75Å; K146-H149 PolarHBondContact O-ND1 2.85Å; Y147-H149 PolarHBondContact O-N 2.96Å; Y147-H149 VanDerWaalsContact O-N 3.14Å; H149-K151 PolarHBondContact O-N 2.63Å; H149-E152 WeakPolarHBondContact O-CB 3.45Å; H149-E152 PolarHBondContact O-N 3.44Å
150L91.5Very high91.2Very high3 Ų361.8 Ų61.82%0.01634%0.338CS..G310 helixtrans-64.8-17.9177.9-62.5176.6000112.7R127 M130 E136 C139 L140 Y147 A148R127-L150 WeakPolarHBondContact CA-O 3.3Å; R127-L150 WeakPolarHBondContact CB-O 3.46Å; R127-L150 PolarHBondContact N-O 3.14Å; M130-L150 HydrophobicContact CG-CD2 4.31Å; M130-L150 HydrophobicContact SD-CD1 4.12Å; M130-L150 HydrophobicContact SD-CD2 4.39Å; E136-L150 HydrophobicContact CG-CB 4.35Å; E136-L150 HydrophobicContact CG-CD1 3.81Å; E136-L150 HydrophobicContact CG-CD2 3.86Å; E136-L150 HydrophobicContact CG-CG 4.22Å; C139-L150 HydrophobicContact CB-CD1 4Å; L140-L150 HydrophobicContact CB-CD1 4.48Å; L140-L150 HydrophobicContact CD1-CB 3.99Å; Y147-L150 HydrophobicContact CD1-CD1 4.22Å; Y147-L150 HydrophobicContact CG-CD1 4.34Å; Y147-L150 WeakPolarHBondContact O-CB 3.29Å; Y147-L150 WeakPolarHBondContact O-CG 3.12Å; Y147-L150 PolarHBondContact O-N 3.18Å; A148-L150 PolarHBondContact O-N 3.2Å
151K90.2Very high91.4Very high161 Ų16161.9 Ų61.970%0.734%0.344SS*.G310 helixtrans-76.6-23.1171.8-64.7176.3-178.8179.60112.7L140 A148 H149L140-K151 HydrophobicContact CD1-CG 3.66Å; L140-K151 HydrophobicContact CG-CG 4.2Å; A148-K151 WeakPolarHBondContact O-CB 3.45Å; A148-K151 PolarHBondContact O-N 2.71Å; H149-K151 PolarHBondContact O-N 2.63Å
152E91.9Very high91.5Very high75 Ų7558.5 Ų58.535%0.3532%0.317SS..SBendtrans-78.8162.8-179.9-58.3-176.8-175.800111.2K86 G126 R127 H149 Q155K86-E152 VanDerWaalsContact NZ-CD 3.33Å; K86-E152 IonicContact NZ-OE1 2.65Å; K86-E152 PolarHBondContact NZ-OE1 3.35Å; K86-E152 VanDerWaalsContact NZ-OE1 3.08Å; K86-E152 IonicContact NZ-OE2 2.63Å; K86-E152 PolarHBondContact NZ-OE2 2.99Å; G126-E152 WeakPolarHBondContact CA-O 3.49Å; R127-E152 PolarHBondContact N-O 3.03Å; H149-E152 WeakPolarHBondContact O-CB 3.45Å; H149-E152 PolarHBondContact O-N 3.44Å; E152-Q155 PolarHBondContact OE2-NE2 3.14Å
153K92.9Very high91.6Very high138 Ų13859 Ų5960%0.632%0.317SS*.PPolyproline II helixtrans-63.2152.6173.6-68-168.8175-163.40111.1L88 D92 Q155L88-K153 HydrophobicContact CD2-CB 3.97Å; L88-K153 HydrophobicContact CD2-CD 4.5Å; D92-K153 IonicContact OD2-NZ 2.63Å; K153-Q155 PolarHBondContact O-N 3.2Å
154L94.1Very high91.7Very high15 Ų1556.8 Ų56.88%0.07929%0.292CS..SBendtrans-57.6124175.9-171.768.7000110.6I89 V91 V100 V124 R127I89-L154 HydrophobicContact CB-CD2 4.1Å; I89-L154 HydrophobicContact CB-CG 4.19Å; I89-L154 HydrophobicContact CD1-CD2 3.93Å; I89-L154 HydrophobicContact CD1-CG 3.87Å; I89-L154 HydrophobicContact CG1-CD2 4.44Å; I89-L154 HydrophobicContact CG1-CG 4.22Å; I89-L154 HydrophobicContact CG2-CD2 4.17Å; I89-L154 PolarHBondContact N-O 3.34Å; V91-L154 HydrophobicContact CG1-CB 4.48Å; V91-L154 HydrophobicContact CG1-CD2 3.54Å; V100-L154 HydrophobicContact CG2-CD1 4.17Å; V100-L154 HydrophobicContact CG2-CD2 3.84Å; V124-L154 HydrophobicContact CG1-CD1 4.04Å; R127-L154 WeakPolarHBondContact O-CB 3.26Å
155Q94.4Very high91.8Very high11 Ų1156.6 Ų56.65%0.05130%0.302CS..EExtended strand (participates in β ladder)trans-151155.1-17366.3-171.4200112V87 M125 E152 K153V87-Q155 CarbonylContact O-C 3.55Å; V87-Q155 WeakPolarHBondContact O-CA 3.26Å; V87-Q155 VanDerWaalsContact O-CB 3.29Å; V87-Q155 WeakPolarHBondContact O-CB 3.48Å; M125-Q155 HydrophobicContact CB-CG 4.22Å; M125-Q155 PolarHBondContact N-O 3.2Å; M125-Q155 PolarHBondContact O-N 2.95Å; E152-Q155 PolarHBondContact OE2-NE2 3.14Å; K153-Q155 PolarHBondContact O-N 3.2Å
156V95.2Very high92.1Very high0 Ų055.2 Ų55.20%029%0.286CS..EExtended strand (participates in β ladder)trans-101.2122.6169.1-1740000108.5V87 I89 L103 L178 L182V87-V156 PolarHBondContact N-O 3.17Å; V87-V156 PolarHBondContact O-N 2.98Å; I89-V156 HydrophobicContact CD1-CG2 3.74Å; I89-V156 HydrophobicContact CG1-CG2 4.08Å; L103-V156 HydrophobicContact CD2-CG2 3.61Å; V156-L178 HydrophobicContact CG1-CD1 4.14Å; V156-L178 HydrophobicContact CG1-CD2 4.44Å; V156-L182 HydrophobicContact CG2-CD2 4.44Å
157R94.4Very high92.4Very high75 Ų7547.9 Ų47.928%0.28325%0.254SS..EExtended strand (participates in β ladder)trans-90.6121.5173.3-173.9-179.5-178.6176.17.2109.2T84 K85 L122 S123 M125 Q159T84-R157 HydrophobicContact CG2-CG 3.67Å; K85-R157 WeakPolarHBondContact O-CA 3.49Å; L122-R157 CarbonylContact C-O 3.43Å; L122-R157 WeakPolarHBondContact CA-O 3.49Å; S123-R157 PolarHBondContact N-O 3.4Å; S123-R157 PolarHBondContact O-N 3.32Å; M125-R157 HydrophobicContact CG-CB 4.39Å; M125-R157 HydrophobicContact SD-CB 3.88Å; M125-R157 WeakPolarHBondContact SD-CD 3.32Å; M125-R157 HydrophobicContact SD-CG 4.32Å; R157-Q159 HydrophobicContact CG-CG 4.05Å
158I95.6Very high92.5Very high0 Ų050 Ų500%026%0.263CS..EExtended strand (participates in β ladder)trans-102.2121.7173.5-51.1174000107.2T84 K85 V87 V120 L122 A174 L175 L178T84-I158 CarbonylContact C-O 3.26Å; T84-I158 VanDerWaalsContact CA-O 3.3Å; T84-I158 WeakPolarHBondContact CA-O 3.44Å; K85-I158 PolarHBondContact N-O 2.61Å; K85-I158 PolarHBondContact O-N 3.09Å; V87-I158 HydrophobicContact CG2-CD1 3.76Å; V87-I158 HydrophobicContact CG2-CG1 4.32Å; V120-I158 HydrophobicContact CB-CG2 4.43Å; V120-I158 HydrophobicContact CG2-CG2 4.37Å; L122-I158 HydrophobicContact CD2-CB 4.16Å; L122-I158 HydrophobicContact CD2-CG1 3.75Å; L122-I158 HydrophobicContact CD2-CG2 4.04Å; I158-A174 HydrophobicContact CD1-CB 4.18Å; I158-A174 HydrophobicContact CG2-CB 4.1Å; I158-L175 HydrophobicContact CD1-CD2 3.88Å; I158-L175 HydrophobicContact CD1-CG 4.3Å; I158-L178 HydrophobicContact CD1-CD1 3.71Å; I158-L178 HydrophobicContact CG1-CD1 4.04Å
159Q94.3Very high92.8Very high49 Ų4954.8 Ų54.823%0.22927%0.269CS..EExtended strand (participates in β ladder)trans-118.8124.3172.3-44.1-171.3-78.300109.6V83 T84 K121 R157V83-Q159 WeakPolarHBondContact O-CA 3.34Å; T84-Q159 HydrophobicContact CG2-CG 4.35Å; T84-Q159 PolarHBondContact OG1-NE2 3.46Å; K121-Q159 HydrophobicContact CB-CB 4.21Å; K121-Q159 PolarHBondContact N-O 2.98Å; K121-Q159 PolarHBondContact O-N 3.42Å; R157-Q159 HydrophobicContact CG-CG 4.05Å
160A94.3Very high93Very high4 Ų455.3 Ų55.33%0.03327%0.271CS..EExtended strand (participates in β ladder)trans-126.1143.3178.400000110.1K82 V83 V120 V167 K170 I171K82-A160 WeakPolarHBondContact CA-O 3.31Å; V83-A160 PolarHBondContact N-O 3.18Å; V83-A160 PolarHBondContact O-N 3.11Å; V120-A160 HydrophobicContact CG1-CB 3.96Å; A160-V167 HydrophobicContact CB-CG1 4.03Å; A160-K170 HydrophobicContact CB-CB 4.33Å; A160-I171 HydrophobicContact CB-CD1 4.39Å; A160-I171 HydrophobicContact CB-CG1 4Å
161S91.4Very high93.2Very high62 Ų6255.8 Ų55.843%0.43427%0.273SS..EExtended strand (participates in β ladder)trans-132.6145175.458.90000110.8L81 V167 K170L81-S161 VanDerWaalsContact O-CA 3.31Å; L81-S161 WeakPolarHBondContact O-CA 3.44Å; S161-V167 VanDerWaalsContact C-CG2 3.5Å; S161-K170 PolarHBondContact O-NZ 3.43Å
162G91.3Very high93.5Very high13 Ų1349.8 Ų49.813%0.13426%0.258CS..EExtended strand (participates in β ladder)trans155-162.2-179.500000111.9L81L81-G162 PolarHBondContact N-O 3.41Å; L81-G162 PolarHBondContact O-N 3.08Å
163T91.2Very high93.7Very high69 Ų6949.6 Ų49.642%0.42326%0.259SS..SBendtrans-64.6153.8168.161.40000110A165 E166 V167T163-A165 VanDerWaalsContact C-N 3.27Å; T163-A165 PolarHBondContact O-N 3.26Å; T163-E166 PolarHBondContact N-OE2 3.36Å; T163-E166 VanDerWaalsContact N-OE2 3.1Å; T163-E166 PolarHBondContact O-N 3.14Å; T163-E166 VanDerWaalsContact O-N 3.1Å; T163-E166 WeakPolarHBondContact OG1-CB 3.49Å; T163-E166 WeakPolarHBondContact OG1-CG 3.4Å; T163-E166 PolarHBondContact OG1-N 3.12Å; T163-E166 PolarHBondContact OG1-OE2 2.76Å; T163-V167 VanDerWaalsContact O-CG2 3.31Å; T163-V167 WeakPolarHBondContact O-CG2 3.31Å; T163-V167 PolarHBondContact O-N 3.26Å
164P89.6Confident93.8Very high20 Ų2043 Ų4313%0.1323%0.23CC..Hα-helixtrans-52.8-45.2-179.1-27.234.3000113I74 L81 E166 V167 Y168I74-P164 HydrophobicContact CG2-CB 3.51Å; I74-P164 HydrophobicContact CG2-CG 3.3Å; L81-P164 HydrophobicContact CB-CG 4.35Å; L81-P164 HydrophobicContact CD2-CB 4.16Å; P164-E166 PolarHBondContact O-N 3.27Å; P164-V167 PolarHBondContact O-N 2.88Å; P164-Y168 WeakPolarHBondContact O-CD2 3.44Å; P164-Y168 PolarHBondContact O-N 2.88Å; P164-Y168 VanDerWaalsContact O-N 3.14Å
165A91Very high93.9Very high80 Ų8046.2 Ų46.266%0.66125%0.247SC*.Hα-helixtrans-59.6-45.5177.800000112.5T163 R169T163-A165 VanDerWaalsContact C-N 3.27Å; T163-A165 PolarHBondContact O-N 3.26Å; A165-R169 WeakPolarHBondContact O-CB 3.29Å; A165-R169 PolarHBondContact O-N 3.3Å; A165-R169 VanDerWaalsContact O-N 3.16Å
166E92.8Very high93.8Very high76 Ų7652.8 Ų52.836%0.35528%0.278SS..Hα-helixtrans-67.4-39.4178.4-70.9170146.500112.6T163 P164 R169 K170T163-E166 PolarHBondContact N-OE2 3.36Å; T163-E166 VanDerWaalsContact N-OE2 3.1Å; T163-E166 PolarHBondContact O-N 3.14Å; T163-E166 VanDerWaalsContact O-N 3.1Å; T163-E166 WeakPolarHBondContact OG1-CB 3.49Å; T163-E166 WeakPolarHBondContact OG1-CG 3.4Å; T163-E166 PolarHBondContact OG1-N 3.12Å; T163-E166 PolarHBondContact OG1-OE2 2.76Å; P164-E166 PolarHBondContact O-N 3.27Å; E166-R169 PolarHBondContact O-N 3.41Å; E166-K170 WeakPolarHBondContact O-CB 3.36Å; E166-K170 VanDerWaalsContact O-CG 3.27Å; E166-K170 WeakPolarHBondContact O-CG 3.48Å; E166-K170 PolarHBondContact O-N 3.04Å
167V93.2Very high93.6Very high0 Ų055.5 Ų55.50%029%0.291CS..Hα-helixtrans-63.9-46.8-178170.30000110.7L81 V83 A160 S161 T163 P164 R169 K170 I171L81-V167 HydrophobicContact CB-CG2 4.38Å; L81-V167 HydrophobicContact CD2-CB 4.47Å; L81-V167 HydrophobicContact CD2-CG1 4.33Å; L81-V167 WeakPolarHBondContact O-CG2 3.35Å; V83-V167 HydrophobicContact CB-CG1 3.64Å; V83-V167 HydrophobicContact CG2-CG1 3.54Å; A160-V167 HydrophobicContact CB-CG1 4.03Å; S161-V167 VanDerWaalsContact C-CG2 3.5Å; T163-V167 VanDerWaalsContact O-CG2 3.31Å; T163-V167 WeakPolarHBondContact O-CG2 3.31Å; T163-V167 PolarHBondContact O-N 3.26Å; P164-V167 PolarHBondContact O-N 2.88Å; V167-R169 VanDerWaalsContact C-N 3.35Å; V167-K170 PolarHBondContact O-N 2.76Å; V167-I171 HydrophobicContact CG1-CD1 3.97Å; V167-I171 VanDerWaalsContact O-CG1 3.29Å; V167-I171 WeakPolarHBondContact O-CG1 3.33Å; V167-I171 PolarHBondContact O-N 3Å
168Y93Very high93.5Very high111 Ų11152 Ų5244%0.43528%0.277SS..Hα-helixtrans-65.6-37.9176.8-74.2-69.9000112.2I74 L81 P164 I171 G172I74-Y168 HydrophobicContact CD1-CE2 3.72Å; L81-Y168 HydrophobicContact CD2-CE2 4.01Å; P164-Y168 WeakPolarHBondContact O-CD2 3.44Å; P164-Y168 PolarHBondContact O-N 2.88Å; P164-Y168 VanDerWaalsContact O-N 3.14Å; Y168-I171 PolarHBondContact O-N 3.45Å; Y168-G172 PolarHBondContact O-N 3.23Å
169R95.5Very high93.3Very high152 Ų15259 Ų5957%0.57431%0.308SS*.Hα-helixtrans-60.2-52.3173.6-172.4179.768-163.6-3.2111.6A165 E166 V167 I171 G172 D173A165-R169 WeakPolarHBondContact O-CB 3.29Å; A165-R169 PolarHBondContact O-N 3.3Å; A165-R169 VanDerWaalsContact O-N 3.16Å; E166-R169 PolarHBondContact O-N 3.41Å; V167-R169 VanDerWaalsContact C-N 3.35Å; R169-I171 VanDerWaalsContact C-N 3.27Å; R169-I171 PolarHBondContact O-N 3.35Å; R169-G172 WeakPolarHBondContact O-CA 3.48Å; R169-G172 PolarHBondContact O-N 2.83Å; R169-D173 VanDerWaalsContact O-CG 3.26Å; R169-D173 PolarHBondContact O-N 3.1Å
170K96.3Very high93Very high47 Ų4759.3 Ų59.320%0.20431%0.314CS..Hα-helixtrans-57.1-38.4178.3-75.6178.9-178.1-177.10112.8V120 A160 S161 E166 V167 A174V120-K170 HydrophobicContact CG1-CB 3.7Å; V120-K170 HydrophobicContact CG1-CD 4.2Å; V120-K170 HydrophobicContact CG1-CG 4.33Å; A160-K170 HydrophobicContact CB-CB 4.33Å; S161-K170 PolarHBondContact O-NZ 3.43Å; E166-K170 WeakPolarHBondContact O-CB 3.36Å; E166-K170 VanDerWaalsContact O-CG 3.27Å; E166-K170 WeakPolarHBondContact O-CG 3.48Å; E166-K170 PolarHBondContact O-N 3.04Å; V167-K170 PolarHBondContact O-N 2.76Å; K170-A174 VanDerWaalsContact O-CB 3.24Å; K170-A174 WeakPolarHBondContact O-CB 3.27Å; K170-A174 PolarHBondContact O-N 3.26Å
171I95.3Very high92.7Very high13 Ų1360.6 Ų60.67%0.06732%0.318CS..Hα-helixtrans-67.8-43.1176.5-69.6168.6000110.7V83 K85 A160 V167 Y168 R169 A174 L175V83-I171 HydrophobicContact CB-CD1 3.71Å; V83-I171 HydrophobicContact CG1-CD1 3.4Å; K85-I171 HydrophobicContact CG-CD1 4.36Å; K85-I171 HydrophobicContact CG-CG2 4.34Å; A160-I171 HydrophobicContact CB-CD1 4.39Å; A160-I171 HydrophobicContact CB-CG1 4Å; V167-I171 HydrophobicContact CG1-CD1 3.97Å; V167-I171 VanDerWaalsContact O-CG1 3.29Å; V167-I171 WeakPolarHBondContact O-CG1 3.33Å; V167-I171 PolarHBondContact O-N 3Å; Y168-I171 PolarHBondContact O-N 3.45Å; R169-I171 VanDerWaalsContact C-N 3.27Å; R169-I171 PolarHBondContact O-N 3.35Å; I171-A174 PolarHBondContact O-N 2.83Å; I171-L175 HydrophobicContact CG2-CD1 4.13Å; I171-L175 HydrophobicContact CG2-CG 4.49Å; I171-L175 VanDerWaalsContact O-CG 3.3Å; I171-L175 WeakPolarHBondContact O-CG 3.06Å; I171-L175 PolarHBondContact O-N 2.94Å
172G95.9Very high92.6Very high36 Ų3658.6 Ų58.637%0.37130%0.303SS..Hα-helixtrans-57.7-52.4174.800000112Y168 R169 A174 L175 E176Y168-G172 PolarHBondContact O-N 3.23Å; R169-G172 WeakPolarHBondContact O-CA 3.48Å; R169-G172 PolarHBondContact O-N 2.83Å; G172-A174 VanDerWaalsContact C-N 3.28Å; G172-A174 PolarHBondContact O-N 3.46Å; G172-L175 PolarHBondContact O-N 2.82Å; G172-L175 VanDerWaalsContact O-N 3.1Å; G172-E176 PolarHBondContact O-N 3.16Å; G172-E176 VanDerWaalsContact O-N 3.11Å
173D96.2Very high92.1Very high70 Ų7061.4 Ų61.437%0.37432%0.317SS..Hα-helixtrans-58.3-41.1178.2-59.1-20.5000111.1L118 R169 L175 E176 E177L118-D173 HydrophobicContact CD2-CB 3.59Å; R169-D173 VanDerWaalsContact O-CG 3.26Å; R169-D173 PolarHBondContact O-N 3.1Å; D173-L175 PolarHBondContact O-N 3.48Å; D173-E176 PolarHBondContact O-N 3.39Å; D173-E177 WeakPolarHBondContact O-CG 3.35Å; D173-E177 PolarHBondContact O-N 3.28Å
174A95.7Very high91.1Very high0 Ų058.9 Ų58.90%030%0.303CS..Hα-helixtrans-65.5-36.7177.200000113.6L118 V120 I158 K170 I171 G172 L178L118-A174 HydrophobicContact CD1-CB 3.76Å; V120-A174 HydrophobicContact CG2-CB 4.26Å; I158-A174 HydrophobicContact CD1-CB 4.18Å; I158-A174 HydrophobicContact CG2-CB 4.1Å; K170-A174 VanDerWaalsContact O-CB 3.24Å; K170-A174 WeakPolarHBondContact O-CB 3.27Å; K170-A174 PolarHBondContact O-N 3.26Å; I171-A174 PolarHBondContact O-N 2.83Å; G172-A174 VanDerWaalsContact C-N 3.28Å; G172-A174 PolarHBondContact O-N 3.46Å; A174-L178 VanDerWaalsContact O-CB 3.31Å; A174-L178 WeakPolarHBondContact O-CB 3.47Å; A174-L178 WeakPolarHBondContact O-CD1 3.21Å; A174-L178 WeakPolarHBondContact O-CG 3.46Å; A174-L178 PolarHBondContact O-N 3.09Å
175L94.6Very high89.8Confident82 Ų8260.4 Ų60.443%0.42931%0.312SS..Hα-helixtrans-68.4-37.8177-71.5170.7000111.6V87 I158 I171 G172 D173 K179V87-L175 HydrophobicContact CG2-CD2 3.63Å; I158-L175 HydrophobicContact CD1-CD2 3.88Å; I158-L175 HydrophobicContact CD1-CG 4.3Å; I171-L175 HydrophobicContact CG2-CD1 4.13Å; I171-L175 HydrophobicContact CG2-CG 4.49Å; I171-L175 VanDerWaalsContact O-CG 3.3Å; I171-L175 WeakPolarHBondContact O-CG 3.06Å; I171-L175 PolarHBondContact O-N 2.94Å; G172-L175 PolarHBondContact O-N 2.82Å; G172-L175 VanDerWaalsContact O-N 3.1Å; D173-L175 PolarHBondContact O-N 3.48Å; L175-K179 PolarHBondContact O-N 2.85Å; L175-K179 VanDerWaalsContact O-N 3.16Å
176E93.5Very high88Confident149 Ų14959.9 Ų59.970%0.69630%0.303SS*.Hα-helixtrans-66.6-44.6176.5-171.1164.1-159.200111.6G172 D173 L178 K179 P180G172-E176 PolarHBondContact O-N 3.16Å; G172-E176 VanDerWaalsContact O-N 3.11Å; D173-E176 PolarHBondContact O-N 3.39Å; E176-L178 PolarHBondContact O-N 3.45Å; E176-K179 WeakPolarHBondContact O-CB 3.13Å; E176-K179 PolarHBondContact O-N 2.84Å; E176-P180 WeakPolarHBondContact O-CD 3.43Å
177E91.2Very high86Confident58 Ų5864.1 Ų64.127%0.27132%0.317SS..Hα-helixtrans-66.2-34.5176-72.5-74.4-178.100113.1M114 K117 L118 D173 P180 Y181M114-E177 HydrophobicContact CE-CB 4.44Å; M114-E177 HydrophobicContact SD-CB 4.48Å; K117-E177 WeakPolarHBondContact CE-OE1 3.49Å; K117-E177 IonicContact NZ-OE1 2.71Å; K117-E177 PolarHBondContact NZ-OE1 2.97Å; L118-E177 HydrophobicContact CD1-CB 4.22Å; L118-E177 HydrophobicContact CD1-CG 4.28Å; L118-E177 HydrophobicContact CD2-CG 4.06Å; L118-E177 HydrophobicContact CG-CG 4.49Å; D173-E177 WeakPolarHBondContact O-CG 3.35Å; D173-E177 PolarHBondContact O-N 3.28Å; E177-P180 VanDerWaalsContact O-CD 3.29Å; E177-P180 WeakPolarHBondContact O-CD 3.48Å; E177-P180 WeakPolarHBondContact O-CG 3.37Å; E177-Y181 WeakPolarHBondContact O-CD2 3.43Å; E177-Y181 WeakPolarHBondContact O-CE2 3.4Å
178L92.2Very high83.8Confident1 Ų175.4 Ų75.41%0.00536%0.36CS..Hα-helixtrans-76-26.9179.1-76.8170.9000113.2L103 M114 L122 V156 I158 A174 E176 Y181 L182L103-L178 HydrophobicContact CD1-CD2 3.52Å; L103-L178 HydrophobicContact CD2-CD2 4.36Å; M114-L178 HydrophobicContact CE-CD2 4.34Å; M114-L178 HydrophobicContact SD-CD2 3.66Å; M114-L178 HydrophobicContact SD-CG 4.1Å; L122-L178 HydrophobicContact CD2-CD1 4.34Å; V156-L178 HydrophobicContact CG1-CD1 4.14Å; V156-L178 HydrophobicContact CG1-CD2 4.44Å; I158-L178 HydrophobicContact CD1-CD1 3.71Å; I158-L178 HydrophobicContact CG1-CD1 4.04Å; A174-L178 VanDerWaalsContact O-CB 3.31Å; A174-L178 WeakPolarHBondContact O-CB 3.47Å; A174-L178 WeakPolarHBondContact O-CD1 3.21Å; A174-L178 WeakPolarHBondContact O-CG 3.46Å; A174-L178 PolarHBondContact O-N 3.09Å; E176-L178 PolarHBondContact O-N 3.45Å; L178-Y181 PolarHBondContact O-N 2.9Å; L178-L182 HydrophobicContact CB-CD1 4.31Å; L178-L182 WeakPolarHBondContact O-CG 3.35Å; L178-L182 PolarHBondContact O-N 3.47Å
179K90.7Very high81.8Confident146 Ų14675.1 Ų75.164%0.63537%0.366SS*.Hα-helixtrans-49.8-48.4-177.6-171.6179.1179.1-177.80114.5L175 E176 Y181 L182 T183L175-K179 PolarHBondContact O-N 2.85Å; L175-K179 VanDerWaalsContact O-N 3.16Å; E176-K179 WeakPolarHBondContact O-CB 3.13Å; E176-K179 PolarHBondContact O-N 2.84Å; K179-Y181 VanDerWaalsContact C-N 3.29Å; K179-Y181 PolarHBondContact O-N 3.19Å; K179-L182 PolarHBondContact O-N 2.99Å; K179-T183 WeakPolarHBondContact O-CB 3.41Å; K179-T183 PolarHBondContact O-N 3.07Å; K179-T183 PolarHBondContact O-OG1 3.24Å
180P87.5Confident79.9Confident56 Ų5672.1 Ų72.136%0.36437%0.369SS..Hα-helixtrans-68.1-24178.826.7-36.8000114K102 E176 E177 I194K102-P180 PolarHBondContact NZ-O 3.46Å; E176-P180 WeakPolarHBondContact O-CD 3.43Å; E177-P180 VanDerWaalsContact O-CD 3.29Å; E177-P180 WeakPolarHBondContact O-CD 3.48Å; E177-P180 WeakPolarHBondContact O-CG 3.37Å; P180-I194 HydrophobicContact CB-CD1 3.96Å; P180-I194 HydrophobicContact CG-CD1 4.4Å
181Y89.3Confident78Confident32 Ų3276.1 Ų76.113%0.12539%0.392CS..Hα-helixtrans-80.6-32.4176.2-62.9-92.4000112.3K102 L103 T110 M114 E177 L178 K179 I194K102-Y181 HydrophobicContact CG-CD1 4.11Å; L103-Y181 HydrophobicContact CD1-CD1 4.17Å; L103-Y181 HydrophobicContact CD1-CD2 4.5Å; L103-Y181 HydrophobicContact CD1-CG 3.94Å; T110-Y181 HydrophobicContact CG2-CE1 3.65Å; T110-Y181 WeakPolarHBondContact CG2-OH 3.23Å; M114-Y181 HydrophobicContact CE-CD2 3.58Å; M114-Y181 HydrophobicContact CE-CE1 4.5Å; M114-Y181 HydrophobicContact CE-CE2 3.18Å; M114-Y181 HydrophobicContact CE-CG 4.38Å; E177-Y181 WeakPolarHBondContact O-CD2 3.43Å; E177-Y181 WeakPolarHBondContact O-CE2 3.4Å; L178-Y181 PolarHBondContact O-N 2.9Å; K179-Y181 VanDerWaalsContact C-N 3.29Å; K179-Y181 PolarHBondContact O-N 3.19Å; Y181-I194 HydrophobicContact CD1-CD1 4.11Å; Y181-I194 HydrophobicContact CD1-CG2 4.09Å; Y181-I194 HydrophobicContact CD2-CD1 4.33Å; Y181-I194 HydrophobicContact CE1-CD1 3.87Å; Y181-I194 HydrophobicContact CE1-CG1 4.36Å; Y181-I194 HydrophobicContact CE1-CG2 3.51Å; Y181-I194 HydrophobicContact CE2-CD1 4.09Å; Y181-I194 HydrophobicContact CG-CD1 4.34Å
182L87.8Confident77Confident20 Ų2076.5 Ų76.511%0.10539%0.394CS..Hα-helixtrans-87.4-9.6178.7-61.4-178.2000113.4V87 I89 P90 F99 V156 L178 K179V87-L182 HydrophobicContact CG1-CD1 3.57Å; I89-L182 HydrophobicContact CB-CD2 4.38Å; I89-L182 HydrophobicContact CD1-CD2 4.09Å; I89-L182 HydrophobicContact CG1-CD2 3.82Å; I89-L182 HydrophobicContact CG2-CD2 4.16Å; P90-L182 WeakPolarHBondContact CG-O 3.44Å; F99-L182 VanDerWaalsContact CE1-O 3.32Å; F99-L182 WeakPolarHBondContact CE1-O 3.43Å; V156-L182 HydrophobicContact CG2-CD2 4.44Å; L178-L182 HydrophobicContact CB-CD1 4.31Å; L178-L182 WeakPolarHBondContact O-CG 3.35Å; L178-L182 PolarHBondContact O-N 3.47Å; K179-L182 PolarHBondContact O-N 2.99Å
183T82.5Confident76.2Confident72 Ų7281.2 Ų81.244%0.44241%0.407SS..SBendtrans-91.3114.9172.5-54.30000108.7K179 V185K179-T183 WeakPolarHBondContact O-CB 3.41Å; K179-T183 PolarHBondContact O-N 3.07Å; K179-T183 PolarHBondContact O-OG1 3.24Å; T183-V185 PolarHBondContact O-N 3.06Å
184A69.2Low75.3Confident15 Ų1579 Ų7912%0.12440%0.395CS..  trans-73.499.1169.800000108.1H94 F97 F99 S186H94-A184 HydrophobicContact CB-CB 3.95Å; F97-A184 HydrophobicContact CB-CB 4.36Å; F97-A184 HydrophobicContact CD1-CB 4.07Å; F97-A184 HydrophobicContact CD2-CB 4.34Å; F97-A184 HydrophobicContact CE1-CB 4.39Å; F97-A184 HydrophobicContact CG-CB 4.01Å; F99-A184 HydrophobicContact CE1-CB 4Å; F99-A184 HydrophobicContact CZ-CB 3.93Å; A184-S186 PolarHBondContact O-N 3.14Å
185V62.9Low74.5Confident53 Ų5381.3 Ų81.332%0.32141%0.408SS..  trans-67.1113.4162.7-1770000105T183 Y187 D189T183-V185 PolarHBondContact O-N 3.06Å; V185-Y187 PolarHBondContact O-N 3.04Å; V185-D189 HydrophobicContact CG1-CB 4.01Å
186S52.3Low73.8Confident68 Ų6882 Ų8248%0.47641%0.409SS..  trans-56.6134.3-179.1-79.40000108.9A184 R188 D189A184-S186 PolarHBondContact O-N 3.14Å; S186-R188 PolarHBondContact O-N 3.49Å; S186-D189 PolarHBondContact O-N 3.15Å
187Y50.3Low73.2Confident165 Ų16580.5 Ų80.565%0.64740%0.403SS*.THydrogen-bonded Turntrans-48.8-13.5-179.2-106.6-98000115.6V185 D189V185-Y187 PolarHBondContact O-N 3.04Å; Y187-D189 VanDerWaalsContact C-N 3.31Å
188R48.4Very low72.9Confident237 Ų23778.7 Ų78.789%0.89439%0.394SS*.THydrogen-bonded Turntrans-70.7-25.4174.2-72.7-169.2170.5-166.8-2.5113.3S186S186-R188 PolarHBondContact O-N 3.49Å
189D51.5Low72.2Confident105 Ų10580.3 Ų80.356%0.56140%0.404SS*.SBendtrans-99.489.3170.4-61-42.9000107.4V185 S186 Y187 N191V185-D189 HydrophobicContact CG1-CB 4.01Å; S186-D189 PolarHBondContact O-N 3.15Å; Y187-D189 VanDerWaalsContact C-N 3.31Å; D189-N191 PolarHBondContact O-N 3.46Å
190S54.2Low71.6Confident90 Ų9077.5 Ų77.563%0.62940%0.403SS*.  trans-64.713.2-174.6-52.90000115.3Q196S190-Q196 PolarHBondContact O-NE2 3.17Å
191N57.1Low71.2Confident130 Ų13080 Ų8070%0.69541%0.41SS*.  trans-101.536.9-174.8-62.9-35.4000112.3D189 E193D189-N191 PolarHBondContact O-N 3.46Å; N191-E193 VanDerWaalsContact C-N 3.29Å; N191-E193 PolarHBondContact O-N 2.87Å
192D73.9Confident70.3Confident22 Ų2281.7 Ų81.712%0.11842%0.421CS..  trans-77.887.2168.2-160.4-20.9000108.9K102 I194 V195 Q196K102-D192 VanDerWaalsContact CE-OD1 3.31Å; K102-D192 WeakPolarHBondContact CE-OD1 3.03Å; K102-D192 VanDerWaalsContact CE-OD2 3.28Å; K102-D192 WeakPolarHBondContact CE-OD2 3.48Å; K102-D192 IonicContact NZ-OD1 3.08Å; K102-D192 PolarHBondContact NZ-OD1 3.44Å; K102-D192 IonicContact NZ-OD2 2.95Å; K102-D192 PolarHBondContact NZ-OD2 3.25Å; D192-I194 PolarHBondContact O-N 3.32Å; D192-I194 VanDerWaalsContact O-N 3.12Å; D192-V195 HydrophobicContact CB-CB 4.31Å; D192-V195 HydrophobicContact CB-CG2 4.17Å; D192-V195 PolarHBondContact O-N 3.32Å; D192-Q196 PolarHBondContact O-N 2.94Å
193E79.3Confident69Low134 Ų13483.7 Ų83.763%0.62645%0.446SS*.Hα-helixtrans-53.3-32.9-177.8-63.6-175.5167.600112N191 Q196 Q197N191-E193 VanDerWaalsContact C-N 3.29Å; N191-E193 PolarHBondContact O-N 2.87Å; E193-Q196 PolarHBondContact O-N 3.5Å; E193-Q197 VanDerWaalsContact O-CB 3.28Å; E193-Q197 WeakPolarHBondContact O-CB 3.32Å; E193-Q197 WeakPolarHBondContact O-CG 3.41Å; E193-Q197 PolarHBondContact O-N 2.92Å
194I77.3Confident67.6Low24 Ų2485.1 Ų85.112%0.12345%0.446CS..Hα-helixtrans-63.6-49.2178.7-64.3168.4000110.3K102 P180 Y181 D192 Q196 Q197 Q198K102-I194 HydrophobicContact CG-CG2 3.94Å; P180-I194 HydrophobicContact CB-CD1 3.96Å; P180-I194 HydrophobicContact CG-CD1 4.4Å; Y181-I194 HydrophobicContact CD1-CD1 4.11Å; Y181-I194 HydrophobicContact CD1-CG2 4.09Å; Y181-I194 HydrophobicContact CD2-CD1 4.33Å; Y181-I194 HydrophobicContact CE1-CD1 3.87Å; Y181-I194 HydrophobicContact CE1-CG1 4.36Å; Y181-I194 HydrophobicContact CE1-CG2 3.51Å; Y181-I194 HydrophobicContact CE2-CD1 4.09Å; Y181-I194 HydrophobicContact CG-CD1 4.34Å; D192-I194 PolarHBondContact O-N 3.32Å; D192-I194 VanDerWaalsContact O-N 3.12Å; I194-Q196 VanDerWaalsContact C-N 3.33Å; I194-Q197 PolarHBondContact O-N 3.45Å; I194-Q198 WeakPolarHBondContact O-CB 3.5Å; I194-Q198 WeakPolarHBondContact O-CG 3.38Å; I194-Q198 PolarHBondContact O-N 3.24Å
195V79Confident66.6Low48 Ų4889.6 Ų89.629%0.29147%0.468SS..Hα-helixtrans-67.4-39.3-179179.10000110K102 D192 Q198 T199K102-V195 HydrophobicContact CD-CG2 4.17Å; K102-V195 HydrophobicContact CG-CG2 4.3Å; D192-V195 HydrophobicContact CB-CB 4.31Å; D192-V195 HydrophobicContact CB-CG2 4.17Å; D192-V195 PolarHBondContact O-N 3.32Å; V195-Q198 PolarHBondContact O-N 2.92Å; V195-T199 VanDerWaalsContact O-CB 3.24Å; V195-T199 WeakPolarHBondContact O-CB 3.34Å; V195-T199 PolarHBondContact O-N 2.99Å; V195-T199 PolarHBondContact O-OG1 3.27Å
196Q78.9Confident66.1Low96 Ų9692.1 Ų92.145%0.44949%0.486SS..Hα-helixtrans-63.6-45.9176.4-67-177.515.400112S190 D192 E193 I194 T199 S200S190-Q196 PolarHBondContact O-NE2 3.17Å; D192-Q196 PolarHBondContact O-N 2.94Å; E193-Q196 PolarHBondContact O-N 3.5Å; I194-Q196 VanDerWaalsContact C-N 3.33Å; Q196-T199 PolarHBondContact O-N 3.37Å; Q196-S200 VanDerWaalsContact O-CB 3.31Å; Q196-S200 WeakPolarHBondContact O-CB 3.46Å; Q196-S200 PolarHBondContact O-N 3.05Å; Q196-S200 PolarHBondContact O-OG 3.38Å
197Q81.8Confident65.8Low118 Ų11897.6 Ų97.655%0.55150%0.503SS*.Hα-helixtrans-60.8-48176.2-75.6173.41200110.8E193 I194 T199 S200 E201E193-Q197 VanDerWaalsContact O-CB 3.28Å; E193-Q197 WeakPolarHBondContact O-CB 3.32Å; E193-Q197 WeakPolarHBondContact O-CG 3.41Å; E193-Q197 PolarHBondContact O-N 2.92Å; I194-Q197 PolarHBondContact O-N 3.45Å; Q197-T199 VanDerWaalsContact C-N 3.34Å; Q197-T199 PolarHBondContact O-N 2.88Å; Q197-S200 WeakPolarHBondContact O-CB 3.43Å; Q197-S200 PolarHBondContact O-N 2.85Å; Q197-E201 WeakPolarHBondContact O-CG 3.47Å; Q197-E201 PolarHBondContact O-N 3.39Å
198Q84Confident65.4Low20 Ų2091.7 Ų91.79%0.09349%0.493CS..Hα-helixtrans-63.2-38.3177.8-72.3174.9-11.600112.6K102 T110 I194 V195 S200 L202K102-Q198 PolarHBondContact O-NE2 3.3Å; T110-Q198 PolarHBondContact OG1-NE2 3.16Å; I194-Q198 WeakPolarHBondContact O-CB 3.5Å; I194-Q198 WeakPolarHBondContact O-CG 3.38Å; I194-Q198 PolarHBondContact O-N 3.24Å; V195-Q198 PolarHBondContact O-N 2.92Å; Q198-S200 VanDerWaalsContact C-N 3.35Å; Q198-L202 WeakPolarHBondContact O-CG 3.46Å; Q198-L202 PolarHBondContact O-N 3.31Å; Q198-L202 VanDerWaalsContact O-N 3.15Å
199T77.9Confident64.8Low36 Ų3692.7 Ų92.722%0.22150%0.497CS..Hα-helixtrans-69.4-35.2176.6-56.40000111.5V195 Q196 Q197 L202 F204V195-T199 VanDerWaalsContact O-CB 3.24Å; V195-T199 WeakPolarHBondContact O-CB 3.34Å; V195-T199 PolarHBondContact O-N 2.99Å; V195-T199 PolarHBondContact O-OG1 3.27Å; Q196-T199 PolarHBondContact O-N 3.37Å; Q197-T199 VanDerWaalsContact C-N 3.34Å; Q197-T199 PolarHBondContact O-N 2.88Å; T199-L202 PolarHBondContact O-N 3.3Å; T199-F204 HydrophobicContact CG2-CB 4.03Å; T199-F204 HydrophobicContact CG2-CD1 4.47Å; T199-F204 PolarHBondContact O-N 3.48Å
200S79.3Confident64.2Low87 Ų8791.1 Ų91.161%0.60851%0.506SS*.Hα-helixtrans-70.1-43.1175.4-57.80000111.7Q196 Q197 Q198 L202 G203Q196-S200 VanDerWaalsContact O-CB 3.31Å; Q196-S200 WeakPolarHBondContact O-CB 3.46Å; Q196-S200 PolarHBondContact O-N 3.05Å; Q196-S200 PolarHBondContact O-OG 3.38Å; Q197-S200 WeakPolarHBondContact O-CB 3.43Å; Q197-S200 PolarHBondContact O-N 2.85Å; Q198-S200 VanDerWaalsContact C-N 3.35Å; S200-L202 PolarHBondContact O-N 3.47Å; S200-G203 PolarHBondContact O-N 3.41Å
201E78Confident63.3Low109 Ų10990.3 Ų90.351%0.50951%0.512SS..Hα-helixtrans-60.4-31.4174.2-75.8-172.1167.400112K113 Q197 G203K113-E201 IonicContact NZ-OE1 3.02Å; K113-E201 PolarHBondContact NZ-OE1 3.1Å; K113-E201 IonicContact NZ-OE2 3.95Å; Q197-E201 WeakPolarHBondContact O-CG 3.47Å; Q197-E201 PolarHBondContact O-N 3.39Å; E201-G203 PolarHBondContact O-N 2.96Å
202L71.1Confident62.3Low67 Ų6787.8 Ų87.835%0.35152%0.516SS..THydrogen-bonded Turntrans-71.4-3.2173.5-76.6170.1000113.8P106 Q198 T199 S200 L217 I221P106-L202 HydrophobicContact CB-CD1 4.26Å; P106-L202 HydrophobicContact CB-CD2 3.52Å; P106-L202 HydrophobicContact CB-CG 3.75Å; P106-L202 HydrophobicContact CG-CG 4.37Å; Q198-L202 WeakPolarHBondContact O-CG 3.46Å; Q198-L202 PolarHBondContact O-N 3.31Å; Q198-L202 VanDerWaalsContact O-N 3.15Å; T199-L202 PolarHBondContact O-N 3.3Å; S200-L202 PolarHBondContact O-N 3.47Å; L202-L217 HydrophobicContact CD2-CD2 3.82Å; L202-I221 HydrophobicContact CD1-CD1 4.19Å; L202-I221 HydrophobicContact CD1-CG2 4.46Å
203G61.2Low61.2Low61 Ų6196.8 Ų96.863%0.62955%0.554SS**THydrogen-bonded Turntrans73.425.4177.400000113.7S200 E201 N205S200-G203 PolarHBondContact O-N 3.41Å; E201-G203 PolarHBondContact O-N 2.96Å; G203-N205 PolarHBondContact O-N 3.11Å
204F52.4Low59.8Low102 Ų10296.4 Ų96.445%0.44756%0.561SS.*  trans-77.693.3175-165.2-102.3000110T199 P206 L218T199-F204 HydrophobicContact CG2-CB 4.03Å; T199-F204 HydrophobicContact CG2-CD1 4.47Å; T199-F204 PolarHBondContact O-N 3.48Å; F204-P206 HydrophobicContact CD1-CB 4.43Å; F204-P206 HydrophobicContact CE1-CB 4Å; F204-P206 WeakPolarHBondContact O-CD 3.41Å; F204-L218 HydrophobicContact CD2-CD1 3.52Å; F204-L218 HydrophobicContact CD2-CD2 4.09Å; F204-L218 HydrophobicContact CD2-CG 4.45Å; F204-L218 HydrophobicContact CE2-CD1 3.74Å; F204-L218 HydrophobicContact CE2-CD2 3.38Å; F204-L218 HydrophobicContact CE2-CG 4.21Å; F204-L218 HydrophobicContact CG-CD1 4.08Å; F204-L218 HydrophobicContact CZ-CD1 4.44Å; F204-L218 HydrophobicContact CZ-CD2 3.79Å
205N47.9Very low58.5Low109 Ų109107 Ų10758%0.58360%0.599SS**  trans-87.1103.9166.5-170.3-1.9000108.5G203 Q207 G208G203-N205 PolarHBondContact O-N 3.11Å; N205-Q207 PolarHBondContact O-N 3.36Å; N205-Q207 PolarHBondContact OD1-N 3.19Å; N205-G208 PolarHBondContact O-N 2.99Å; N205-G208 VanDerWaalsContact O-N 3.1Å
206P52Low57.2Low107 Ų107116 Ų11670%0.69563%0.628SS**THydrogen-bonded Turntrans-63.7-11.5179.624.9-33.2000113.5F204F204-P206 HydrophobicContact CD1-CB 4.43Å; F204-P206 HydrophobicContact CE1-CB 4Å; F204-P206 WeakPolarHBondContact O-CD 3.41Å
207Q47Very low55.7Low182 Ų182117 Ų11785%0.8564%0.636SS**THydrogen-bonded Turntrans-113.49.2176.7-80171.3-4.600113.9N205 R209N205-Q207 PolarHBondContact O-N 3.36Å; N205-Q207 PolarHBondContact OD1-N 3.19Å; Q207-R209 PolarHBondContact O-N 3.32Å
208G40.4Very low54.1Low42 Ų42115 Ų11543%0.43363%0.628SS.*  trans-88.991.4-175.800000114N205 G210N205-G208 PolarHBondContact O-N 2.99Å; N205-G208 VanDerWaalsContact O-N 3.1Å; G208-G210 PolarHBondContact O-N 3.4Å; G208-G210 VanDerWaalsContact O-N 3.1Å
209R36.6Very low52.2Low258 Ų258122.6 Ų122.697%0.97466%0.656SS**  trans-50.3108.5152.1-109.3179.7173-178.5-1108.8Q207Q207-R209 PolarHBondContact O-N 3.32Å
210G38.2Very low50.8Low72 Ų72124.4 Ų124.474%0.74266%0.664SS**  trans171.2113.4169.100000115.6G208G208-G210 PolarHBondContact O-N 3.4Å; G208-G210 VanDerWaalsContact O-N 3.1Å
211G37Very low49.5Very low73 Ų73123.5 Ų123.575%0.75365%0.652SS**  trans72.4108.2142.800000118
212G34.7Very low47.9Very low76 Ų76121.8 Ų121.878%0.78465%0.651SS**SBendtrans-59.9146.2179.900000115.3
213K50.9Low46.7Very low212 Ų212124.7 Ų124.792%0.92266%0.661SS**SBendtrans144.5-8.3148.5-77.1169-176.5-177.70114
214T50.2Low46.1Very low125 Ų125126.8 Ų126.877%0.76767%0.666SS**  trans-106.113-171.641.80000116.4R216T214-R216 VanDerWaalsContact C-N 3.29Å; T214-R216 PolarHBondContact O-N 3.14Å
215R49.6Very low45.6Very low246 Ų246127.1 Ų127.193%0.92868%0.678SS**THydrogen-bonded Turntrans-71.4-7.1-177.4-74.7-173.7179177.1-0.6116.3
216R51.3Low45.2Very low238 Ų238125.7 Ų125.790%0.89869%0.69SS**THydrogen-bonded Turntrans-84.2-19.6-176.3-85.5-172.4-169.6155.83.1115.2T214T214-R216 VanDerWaalsContact C-N 3.29Å; T214-R216 PolarHBondContact O-N 3.14Å
217L49.1Very low44.7Very low117 Ų117123.9 Ų123.961%0.61369%0.69SS**SBendtrans-79.1-28.8-173.8-119.787.8000113.5L202 R219 L220L202-L217 HydrophobicContact CD2-CD2 3.82Å; L217-R219 PolarHBondContact O-N 3.47Å; L217-L220 WeakPolarHBondContact O-CB 3.22Å; L217-L220 PolarHBondContact O-N 3.47Å
218L47.2Very low44.7Very low76 Ų76121.4 Ų121.440%0.39869%0.69SS.*THydrogen-bonded Turntrans-66.9-20.7-172.8-153.473.8000113.9F204 L220 I221F204-L218 HydrophobicContact CD2-CD1 3.52Å; F204-L218 HydrophobicContact CD2-CD2 4.09Å; F204-L218 HydrophobicContact CD2-CG 4.45Å; F204-L218 HydrophobicContact CE2-CD1 3.74Å; F204-L218 HydrophobicContact CE2-CD2 3.38Å; F204-L218 HydrophobicContact CE2-CG 4.21Å; F204-L218 HydrophobicContact CG-CD1 4.08Å; F204-L218 HydrophobicContact CZ-CD1 4.44Å; F204-L218 HydrophobicContact CZ-CD2 3.79Å; L218-L220 PolarHBondContact O-N 3.13Å; L218-I221 HydrophobicContact CD1-CD1 4.23Å
219R44.8Very low44.9Very low180 Ų180129.2 Ų129.268%0.67972%0.715SS**THydrogen-bonded Turntrans-69.1-21.4175.6-149.6178.5-174.6160.22111.8L217 F223L217-R219 PolarHBondContact O-N 3.47Å; R219-F223 HydrophobicContact CB-CE2 4.21Å; R219-F223 HydrophobicContact CG-CD2 4.25Å; R219-F223 HydrophobicContact CG-CE2 3.58Å; R219-F223 HydrophobicContact CG-CZ 3.78Å; R219-F223 WeakPolarHBondContact O-CD2 3.06Å; R219-F223 VanDerWaalsContact O-CE2 3.26Å; R219-F223 WeakPolarHBondContact O-CE2 3.47Å
220L48Very low45.1Very low74 Ų74120.1 Ų120.139%0.38770%0.702SS.*THydrogen-bonded Turntrans-83.4-22.4-167-159.962.8000114.5L217 L218L217-L220 WeakPolarHBondContact O-CB 3.22Å; L217-L220 PolarHBondContact O-N 3.47Å; L218-L220 PolarHBondContact O-N 3.13Å
221I51.8Low45.4Very low68 Ų68128.6 Ų128.635%0.34971%0.711SS.*THydrogen-bonded Turntrans-96.8-19.6-175.951.3169.8000113.4L202 L218L202-I221 HydrophobicContact CD1-CD1 4.19Å; L202-I221 HydrophobicContact CD1-CG2 4.46Å; L218-I221 HydrophobicContact CD1-CD1 4.23Å
222C44.9Very low45.4Very low72 Ų72128.5 Ų128.549%0.48671%0.71SS.*  trans-12936.9-173.2-59.60000113.6S224C222-S224 PolarHBondContact O-N 2.99Å
223F45.7Very low45.6Very low129 Ų129128.3 Ų128.357%0.56671%0.708SS**  trans-65.596.6177-108.8-79.8000110.9R219 P225R219-F223 HydrophobicContact CB-CE2 4.21Å; R219-F223 HydrophobicContact CG-CD2 4.25Å; R219-F223 HydrophobicContact CG-CE2 3.58Å; R219-F223 HydrophobicContact CG-CZ 3.78Å; R219-F223 WeakPolarHBondContact O-CD2 3.06Å; R219-F223 VanDerWaalsContact O-CE2 3.26Å; R219-F223 WeakPolarHBondContact O-CE2 3.47Å; F223-P225 WeakPolarHBondContact O-CD 3.34Å
224S48.9Very low45.2Very low104 Ų104129 Ų12973%0.72771%0.706SS**  trans-69.5118.9152.8-57.90000108.1C222 G226C222-S224 PolarHBondContact O-N 2.99Å; S224-G226 PolarHBondContact O-N 3.13Å
225P41Very low45.1Very low109 Ų109128.6 Ų128.671%0.70871%0.709SS**  trans-84.899.216830.8-23.5000107.6F223F223-P225 WeakPolarHBondContact O-CD 3.34Å
226G39.6Very low44.7Very low80 Ų80120 Ų12083%0.82570%0.697SS**  trans164.298.5174.500000114.6S224S224-G226 PolarHBondContact O-N 3.13Å
227G42Very low44.5Very low69 Ų69119.4 Ų119.471%0.71170%0.701SS**  trans169.3105.4166.700000111.2Q229G227-Q229 PolarHBondContact O-N 3.21Å
228P47.4Very low44.2Very low130 Ų130117.6 Ų117.684%0.84471%0.711SS**  trans-67.2128175.727.3-30.1000109G230P228-G230 PolarHBondContact O-N 2.98Å
229Q43.5Very low44.2Very low206 Ų206117.6 Ų117.696%0.96373%0.729SS**  trans-76.778.9174.7-142.4169.555.600108.6G227 R231G227-Q229 PolarHBondContact O-N 3.21Å; Q229-R231 PolarHBondContact O-N 2.98Å
230G41.5Very low44.5Very low67 Ų67121.1 Ų121.169%0.69174%0.742SS**  trans-76.9108.9171.800000111.2P228P228-G230 PolarHBondContact O-N 2.98Å
231R44.4Very low44.5Very low250 Ų250121.7 Ų121.794%0.94377%0.766SS**  trans22.4119.2130.5-150.6178.1-166.9-176.93118.2Q229Q229-R231 PolarHBondContact O-N 2.98Å
232G37Very low44.5Very low70 Ų70121.9 Ų121.972%0.72278%0.784SS**  trans105.1126144.100000116.2
233G40.1Very low45.2Very low72 Ų72128.4 Ų128.474%0.74281%0.808SS**  trans163.475.6171.300000114
234Y42.4Very low45.4Very low226 Ų226126.1 Ų126.189%0.88682%0.82SS**  trans-71.9131.8173.2-35.4-91.4000110.6
235S46.7Very low45.9Very low117 Ų117130.1 Ų130.182%0.81883%0.83SS**  trans-161.4117.5155.543.80000104.8
236G41.7Very low46.7Very low65 Ų65130.2 Ų130.267%0.6783%0.831SS**  cis92.2124.94800000107.3
237F47.5Very low47.3Very low226 Ų226134.6 Ų134.699%0.99183%0.832SS**  trans87.8123.4-168.7-68.7-94.3000114.3
238G42.7Very low48Very low79 Ų79138.6 Ų138.681%0.81484%0.842SS**  cis148.2132.18.800000107.5
239G46.9Very low48.2Very low76 Ų76134.9 Ų134.978%0.78483%0.827SS**  trans129.2105159.700000117.9
240R51.5Low48.5Very low255 Ų255134.9 Ų134.996%0.96282%0.824SS**  trans74.9122.3135.1-83.2-175.2170.2-177-2.4121.6
241G47Very low49.4Very low86 Ų86141.8 Ų141.889%0.88785%0.853SS**  trans98.9122.5145.800000112.4
242G51.7Low49.6Very low71 Ų71136.4 Ų136.473%0.73285%0.849SS**  cis157.8134.18.400000106.7
243Q59.3Low50.3Low210 Ų210139.9 Ų139.998%0.98186%0.856SS**  trans66.1126.5160.1-56.3-179.224.700118.9
244G51.1Low50.9Low80 Ų80143.7 Ų143.783%0.82586%0.862SS**  trans15694.5165.800000112.7
245M58.5Low51.4Low189 Ų189138.8 Ų138.893%0.93186%0.86SS**  trans-68.4170.9-167.6-76.214876.500116.1
246P58.2Low51.6Low111 Ų111140.2 Ų140.272%0.72186%0.863SS**  trans-110.4168.8-149.342.3-34.6000116.2
247M52.9Low52.3Low172 Ų172145.2 Ų145.285%0.84788%0.876SS**  trans60.6119.3144.9-70.5-77.1-146.600120.1
248V55.5Low52.6Low153 Ų153139.4 Ų139.493%0.92787%0.868SS**  -148126119.7-145.60000108.7
249G51.5Low53.4Low51 Ų51144.1 Ų144.153%0.52687%0.872SS.*  trans-122.3169.4170.300000110.7
250F51.3Low54Low206 Ų206149.8 Ų149.890%0.90488%0.879SS**  trans82.998.3167.9-64.6-82.3000117.8
251T59Low54.2Low213 Ų213140.2 Ų140.2100%1.30787%0.872SS**  -119.90100.136.60000109.1

Retrieved 251 of 251 residues in 59.4 ms (Link to these results)