A0A087XT86_POEFO Loading...

Toll interacting protein

AlphaFold DB , UniProt , Accession A0A087XT86, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 276 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.5Very low59.5Low223 Ų223118.4 Ų118.4100%1.09963%0.625SS**  0112.40-66.3-165.5-136.900108
2A53.2Low59.8Low49 Ų49114 Ų11441%0.40561%0.607SS.*  trans-71.3131.7177.600000109.3
3T54.8Low60.1Low90 Ų90115.2 Ų115.255%0.55260%0.599SS**EExtended strand (participates in β ladder)trans-107121.5179.6-46.90000108.1I14T3-I14 PolarHBondContact N-O 3.02Å
4T57.2Low60.8Low64 Ų64114.4 Ų114.439%0.39359%0.594SS.*EExtended strand (participates in β ladder)trans-84.3120.4179-46.70000109.3Q11 Y13T4-Q11 HydrophobicContact CG2-CB 4.33Å; T4-Q11 HydrophobicContact CG2-CG 4.14Å; T4-Y13 HydrophobicContact CG2-CE1 4.1Å; T4-Y13 HydrophobicContact CG2-CE2 4.5Å; T4-Y13 VanDerWaalsContact OG1-CE1 3.26Å; T4-Y13 WeakPolarHBondContact OG1-CE1 3.26Å
5I63Low61.4Low86 Ų86110.6 Ų110.644%0.44159%0.594SS.*EExtended strand (participates in β ladder)trans-113.2128176.8-53.6-177.8000108.4V12 I14I5-V12 PolarHBondContact N-O 3.2Å; I5-V12 PolarHBondContact O-N 3.01Å; I5-I14 HydrophobicContact CD1-CD1 4.21Å
6S54.4Low61.8Low101 Ų101114.7 Ų114.771%0.70661%0.608SS**EExtended strand (participates in β ladder)trans-85.4126.3175-177.50000109.9
7T68.3Low61.8Low61 Ų61114.5 Ų114.537%0.37461%0.607SS.*EExtended strand (participates in β ladder)trans-116.9165.9174.784.50000110.6R9 G10 V12T7-R9 PolarHBondContact O-N 3.37Å; T7-R9 PolarHBondContact OG1-N 2.97Å; T7-R9 VanDerWaalsContact OG1-N 3.12Å; T7-G10 PolarHBondContact N-O 3.3Å; T7-G10 PolarHBondContact O-N 3.12Å; T7-G10 PolarHBondContact OG1-O 3.02Å; T7-V12 HydrophobicContact CG2-CB 4.4Å; T7-V12 HydrophobicContact CG2-CG2 3.76Å
8Q62.7Low62.3Low211 Ų211111.5 Ų111.599%0.98660%0.595SS**THydrogen-bonded Turntrans-58.7-14.7173.3-78.6-17312.300114.1
9R62.5Low62.7Low247 Ų247114.5 Ų114.593%0.93261%0.605SS**THydrogen-bonded Turntrans-105.58177.2-65.1-168.4178-158.50.5114T7T7-R9 PolarHBondContact O-N 3.37Å; T7-R9 PolarHBondContact OG1-N 2.97Å; T7-R9 VanDerWaalsContact OG1-N 3.12Å
10G66.4Low62.7Low35 Ų35114.2 Ų114.236%0.36160%0.604SS.*EExtended strand (participates in β ladder)trans119.3178.2-179.300000113.3T7T7-G10 PolarHBondContact N-O 3.3Å; T7-G10 PolarHBondContact O-N 3.12Å; T7-G10 PolarHBondContact OG1-O 3.02Å
11Q63.1Low62.8Low135 Ų135113.7 Ų113.763%0.63160%0.597SS**EExtended strand (participates in β ladder)trans-71.5128.6175.4-81.9-177-23.600110.7T4T4-Q11 HydrophobicContact CG2-CB 4.33Å; T4-Q11 HydrophobicContact CG2-CG 4.14Å
12V62.2Low63.7Low66 Ų66110.6 Ų110.640%0.458%0.584SS.*EExtended strand (participates in β ladder)trans-117.9127175.8-171.20000108I5 T7 I14I5-V12 PolarHBondContact N-O 3.2Å; I5-V12 PolarHBondContact O-N 3.01Å; T7-V12 HydrophobicContact CG2-CB 4.4Å; T7-V12 HydrophobicContact CG2-CG2 3.76Å; V12-I14 HydrophobicContact CG1-CG1 4.17Å
13Y64.5Low64.5Low130 Ų130116.2 Ų116.251%0.5159%0.594SS.*EExtended strand (participates in β ladder)trans-88.6120.5174.5-75.3-89.9000109T4T4-Y13 HydrophobicContact CG2-CE1 4.1Å; T4-Y13 HydrophobicContact CG2-CE2 4.5Å; T4-Y13 VanDerWaalsContact OG1-CE1 3.26Å; T4-Y13 WeakPolarHBondContact OG1-CE1 3.26Å
14I69.1Low65.2Low104 Ų104119.3 Ų119.353%0.53361%0.606SS.*EExtended strand (participates in β ladder)trans-119.2118.1176.8-53.3-177.9000107.4T3 I5 V12T3-I14 PolarHBondContact N-O 3.02Å; I5-I14 HydrophobicContact CD1-CD1 4.21Å; V12-I14 HydrophobicContact CG1-CG1 4.17Å
15G69.9Low65.8Low57 Ų57120 Ų12059%0.58862%0.618SS**SBendtrans144.3-171.6-175.100000112.2L17G15-L17 PolarHBondContact O-N 3Å
16E68.1Low66Low176 Ų176118.2 Ų118.282%0.82261%0.612SS**SBendtrans-59.7129.7171.6-70.1-173.6156.800110.4
17L62.3Low67.2Low112 Ų112117 Ų11759%0.58660%0.6SS**PPolyproline II helixtrans-60.3129-179.9-162.171000109.4G15 Q19 F21G15-L17 PolarHBondContact O-N 3Å; L17-Q19 PolarHBondContact O-N 2.95Å; L17-F21 HydrophobicContact CD1-CB 3.92Å; L17-F21 HydrophobicContact CD1-CD1 3.49Å; L17-F21 VanDerWaalsContact CD1-CD1 3.49Å; L17-F21 HydrophobicContact CD1-CD2 3.57Å; L17-F21 HydrophobicContact CD1-CE1 3.76Å; L17-F21 HydrophobicContact CD1-CE2 3.84Å; L17-F21 HydrophobicContact CD1-CG 3.38Å; L17-F21 HydrophobicContact CD1-CZ 3.92Å; L17-F21 HydrophobicContact CD2-CB 3.78Å; L17-F21 HydrophobicContact CD2-CD1 3.66Å; L17-F21 HydrophobicContact CD2-CE1 4.45Å; L17-F21 HydrophobicContact CD2-CG 3.89Å; L17-F21 HydrophobicContact CG-CB 3.49Å; L17-F21 VanDerWaalsContact CG-CB 3.49Å; L17-F21 HydrophobicContact CG-CD1 3.8Å; L17-F21 HydrophobicContact CG-CD2 4.13Å; L17-F21 HydrophobicContact CG-CG 3.56Å
18P70.5Confident67.5Low60 Ų60122.5 Ų122.539%0.3962%0.622SS.*PPolyproline II helixtrans-51.9140.9174.8-26.334.3000110.7D20 F21P18-D20 PolarHBondContact O-N 3.43Å; P18-F21 VanDerWaalsContact O-CB 3.3Å; P18-F21 WeakPolarHBondContact O-CB 3.3Å; P18-F21 PolarHBondContact O-N 2.94Å
19Q69.1Low68.2Low168 Ų168119.7 Ų119.779%0.78561%0.609SS**THydrogen-bonded Turntrans-58.7-18.2-179.3-66.2-176.4800112.8L17 R23L17-Q19 PolarHBondContact O-N 2.95Å; Q19-R23 PolarHBondContact O-NE 3.26Å; Q19-R23 PolarHBondContact O-NH1 3.26Å
20D64.1Low69Low108 Ų108112.7 Ų112.758%0.57859%0.587SS**THydrogen-bonded Turntrans-105.813.5-179.9-53.5-45.7000113.9P18 L22 R23P18-D20 PolarHBondContact O-N 3.43Å; D20-L22 PolarHBondContact O-N 3.25Å; D20-R23 HydrophobicContact CB-CB 4.41Å; D20-R23 PolarHBondContact O-N 3.08Å; D20-R23 IonicContact OD1-CZ 3.03Å; D20-R23 IonicContact OD1-NH1 2.67Å; D20-R23 PolarHBondContact OD1-NH1 3.31Å; D20-R23 VanDerWaalsContact OD1-NH1 3.08Å
21F63.9Low69.8Low104 Ų104115.7 Ų115.746%0.45659%0.592SS.*THydrogen-bonded Turntrans-63.5124175.1-162.5-95.5000110.1L17 P18 R23L17-F21 HydrophobicContact CD1-CB 3.92Å; L17-F21 HydrophobicContact CD1-CD1 3.49Å; L17-F21 VanDerWaalsContact CD1-CD1 3.49Å; L17-F21 HydrophobicContact CD1-CD2 3.57Å; L17-F21 HydrophobicContact CD1-CE1 3.76Å; L17-F21 HydrophobicContact CD1-CE2 3.84Å; L17-F21 HydrophobicContact CD1-CG 3.38Å; L17-F21 HydrophobicContact CD1-CZ 3.92Å; L17-F21 HydrophobicContact CD2-CB 3.78Å; L17-F21 HydrophobicContact CD2-CD1 3.66Å; L17-F21 HydrophobicContact CD2-CE1 4.45Å; L17-F21 HydrophobicContact CD2-CG 3.89Å; L17-F21 HydrophobicContact CG-CB 3.49Å; L17-F21 VanDerWaalsContact CG-CB 3.49Å; L17-F21 HydrophobicContact CG-CD1 3.8Å; L17-F21 HydrophobicContact CG-CD2 4.13Å; L17-F21 HydrophobicContact CG-CG 3.56Å; P18-F21 VanDerWaalsContact O-CB 3.3Å; P18-F21 WeakPolarHBondContact O-CB 3.3Å; P18-F21 PolarHBondContact O-N 2.94Å; F21-R23 PolarHBondContact O-N 3.05Å
22L67.9Low70.6Confident159 Ų159112.3 Ų112.383%0.83258%0.575SS**THydrogen-bonded Turntrans666-171.5-54.9174.2000116.3D20 I24D20-L22 PolarHBondContact O-N 3.25Å; L22-I24 PolarHBondContact O-N 3.24Å
23R70.1Confident71.7Confident166 Ų166113.4 Ų113.463%0.62658%0.582SS**  trans-78.6116.9170.5-66.6-169.3-179.3161.5-5.5109.3Q19 D20 F21 A25Q19-R23 PolarHBondContact O-NE 3.26Å; Q19-R23 PolarHBondContact O-NH1 3.26Å; D20-R23 HydrophobicContact CB-CB 4.41Å; D20-R23 PolarHBondContact O-N 3.08Å; D20-R23 IonicContact OD1-CZ 3.03Å; D20-R23 IonicContact OD1-NH1 2.67Å; D20-R23 PolarHBondContact OD1-NH1 3.31Å; D20-R23 VanDerWaalsContact OD1-NH1 3.08Å; F21-R23 PolarHBondContact O-N 3.05Å; R23-A25 PolarHBondContact O-N 2.91Å
24I69.4Low72.6Confident156 Ų156113.3 Ų113.380%0.859%0.586SS**  trans-73.199168.8-56174000106L22L22-I24 PolarHBondContact O-N 3.24Å
25A70.6Confident73.2Confident78 Ų78113.1 Ų113.165%0.64559%0.586SS**PPolyproline II helixtrans-58.4127.6168.400000107.5R23 T27R23-A25 PolarHBondContact O-N 2.91Å; A25-T27 PolarHBondContact O-N 3.21Å
26P67.1Low73.8Confident49 Ų49112.6 Ų112.632%0.31857%0.57SS.*PPolyproline II helixtrans-57.6137178.621.9-30.5000108.8Q30 Q31P26-Q30 HydrophobicContact CB-CB 3.94Å; P26-Q31 HydrophobicContact CB-CG 3.93Å; P26-Q31 HydrophobicContact CG-CG 3.66Å
27T79.4Confident74.6Confident74 Ų74106.7 Ų106.745%0.45455%0.551SS.*PPolyproline II helixtrans-59.7156.917662.40000109.5A25 Q29 Q30 Q31A25-T27 PolarHBondContact O-N 3.21Å; T27-Q29 PolarHBondContact O-N 3.4Å; T27-Q29 VanDerWaalsContact O-N 3.09Å; T27-Q30 WeakPolarHBondContact O-CA 3.19Å; T27-Q30 PolarHBondContact O-N 3.01Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.29Å; T27-Q30 PolarHBondContact OG1-N 3.31Å; T27-Q31 PolarHBondContact O-N 3.47Å
28Q74.9Confident75.6Confident177 Ų177105.4 Ų105.483%0.82754%0.542SS*.Hα-helixtrans-51.5-37.2174.9-72-170.210.600111.6Q31 Q32Q28-Q31 PolarHBondContact O-N 3.45Å; Q28-Q32 WeakPolarHBondContact O-CB 3.34Å; Q28-Q32 PolarHBondContact O-N 2.85Å
29Q77.1Confident76.1Confident153 Ų153103 Ų10372%0.71553%0.526SS*.Hα-helixtrans-65-41.3175.9-165.6174.16.700112.6T27 Q32 V33T27-Q29 PolarHBondContact O-N 3.4Å; T27-Q29 VanDerWaalsContact O-N 3.09Å; Q29-Q32 PolarHBondContact O-N 3.05Å; Q29-V33 VanDerWaalsContact O-CG2 3.25Å; Q29-V33 WeakPolarHBondContact O-CG2 3.36Å; Q29-V33 PolarHBondContact O-N 3.05Å
30Q79.9Confident76.7Confident100 Ų10097.2 Ų97.247%0.46751%0.507SS..Hα-helixtrans-68.6-40.6176.4-76.2172.3-14.300112.6P26 T27 Q32 V33 Q34P26-Q30 HydrophobicContact CB-CB 3.94Å; T27-Q30 WeakPolarHBondContact O-CA 3.19Å; T27-Q30 PolarHBondContact O-N 3.01Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.29Å; T27-Q30 PolarHBondContact OG1-N 3.31Å; Q30-Q32 VanDerWaalsContact C-N 3.32Å; Q30-Q32 PolarHBondContact O-N 2.88Å; Q30-V33 PolarHBondContact O-N 3.04Å; Q30-Q34 WeakPolarHBondContact O-CG 3.4Å; Q30-Q34 PolarHBondContact O-N 3.35Å
31Q82.7Confident77.6Confident98 Ų98100.5 Ų100.546%0.45851%0.511SS..Hα-helixtrans-60.7-44.1174.3-74-177.8-14.400111.2P26 T27 Q28 V33 Q34 L35P26-Q31 HydrophobicContact CB-CG 3.93Å; P26-Q31 HydrophobicContact CG-CG 3.66Å; T27-Q31 PolarHBondContact O-N 3.47Å; Q28-Q31 PolarHBondContact O-N 3.45Å; Q31-V33 PolarHBondContact O-N 3.23Å; Q31-Q34 PolarHBondContact O-N 3.33Å; Q31-L35 PolarHBondContact O-N 3.36Å
32Q81Confident78.4Confident63 Ų63100.4 Ų100.429%0.29451%0.512SS..Hα-helixtrans-59.2-47.8176.2-171.572.25400111.4Q28 Q29 Q30 Q34 L35 D36 G82Q28-Q32 WeakPolarHBondContact O-CB 3.34Å; Q28-Q32 PolarHBondContact O-N 2.85Å; Q29-Q32 PolarHBondContact O-N 3.05Å; Q30-Q32 VanDerWaalsContact C-N 3.32Å; Q30-Q32 PolarHBondContact O-N 2.88Å; Q32-Q34 VanDerWaalsContact C-N 3.3Å; Q32-Q34 PolarHBondContact O-N 3.39Å; Q32-L35 CarbonylContact O-C 3.49Å; Q32-L35 WeakPolarHBondContact O-CA 3.05Å; Q32-L35 WeakPolarHBondContact O-CB 3.2Å; Q32-L35 PolarHBondContact O-N 3.34Å; Q32-D36 PolarHBondContact NE2-OD1 3.48Å; Q32-D36 PolarHBondContact O-N 3.26Å; Q32-G82 PolarHBondContact NE2-O 2.82Å
33V83.8Confident79Confident90 Ų9097.2 Ų97.255%0.54550%0.495SS..Hα-helixtrans-60.9-38.8179.4170.60000111.9Q29 Q30 Q31 D36 A37Q29-V33 VanDerWaalsContact O-CG2 3.25Å; Q29-V33 WeakPolarHBondContact O-CG2 3.36Å; Q29-V33 PolarHBondContact O-N 3.05Å; Q30-V33 PolarHBondContact O-N 3.04Å; Q31-V33 PolarHBondContact O-N 3.23Å; V33-D36 PolarHBondContact O-N 2.86Å; V33-A37 VanDerWaalsContact O-CB 3.3Å; V33-A37 WeakPolarHBondContact O-CB 3.48Å; V33-A37 PolarHBondContact O-N 2.91Å
34Q83.8Confident79.4Confident127 Ų12796.5 Ų96.559%0.59350%0.499SS*.Hα-helixtrans-67-37.8174.3-69.7175.27.600111.9Q30 Q31 Q32 H38Q30-Q34 WeakPolarHBondContact O-CG 3.4Å; Q30-Q34 PolarHBondContact O-N 3.35Å; Q31-Q34 PolarHBondContact O-N 3.33Å; Q32-Q34 VanDerWaalsContact C-N 3.3Å; Q32-Q34 PolarHBondContact O-N 3.39Å; Q34-H38 PolarHBondContact O-N 2.87Å; Q34-H38 VanDerWaalsContact O-N 3.17Å; Q34-H38 PolarHBondContact O-ND1 3.46Å
35L81.5Confident79.6Confident101 Ų10198.8 Ų98.853%0.52950%0.499SS..Hα-helixtrans-64.6-43174.8-106.6101.8000111.8Q31 Q32 A37 H38 T39Q31-L35 PolarHBondContact O-N 3.36Å; Q32-L35 CarbonylContact O-C 3.49Å; Q32-L35 WeakPolarHBondContact O-CA 3.05Å; Q32-L35 WeakPolarHBondContact O-CB 3.2Å; Q32-L35 PolarHBondContact O-N 3.34Å; L35-A37 VanDerWaalsContact C-N 3.34Å; L35-A37 PolarHBondContact O-N 2.94Å; L35-H38 VanDerWaalsContact C-CE1 3.5Å; L35-H38 VanDerWaalsContact C-ND1 3.27Å; L35-H38 VanDerWaalsContact CA-CE1 3.43Å; L35-H38 WeakPolarHBondContact CA-CE1 3.47Å; L35-H38 WeakPolarHBondContact CA-ND1 3.16Å; L35-H38 PolarHBondContact O-CE1 3.19Å; L35-H38 PolarHBondContact O-ND1 2.95Å; L35-T39 PolarHBondContact O-N 2.97Å; L35-T39 PolarHBondContact O-OG1 2.95Å
36D83.3Confident79.2Confident45 Ų4598.4 Ų98.424%0.24150%0.503CS..Hα-helixtrans-67.7-40.3180-60.2-11.8000110.2Q32 V33 H38 T39 A40 Y83Q32-D36 PolarHBondContact NE2-OD1 3.48Å; Q32-D36 PolarHBondContact O-N 3.26Å; V33-D36 PolarHBondContact O-N 2.86Å; D36-H38 PolarHBondContact O-N 2.74Å; D36-T39 PolarHBondContact O-N 2.82Å; D36-A40 WeakPolarHBondContact O-CB 3.18Å; D36-A40 PolarHBondContact O-N 3.44Å; D36-Y83 WeakPolarHBondContact OD1-CA 3.21Å
37A83.5Confident78.9Confident52 Ų5297.7 Ų97.743%0.4351%0.505SS..Hα-helixtrans-63.9-41179.700000113.8V33 L35 R41V33-A37 VanDerWaalsContact O-CB 3.3Å; V33-A37 WeakPolarHBondContact O-CB 3.48Å; V33-A37 PolarHBondContact O-N 2.91Å; L35-A37 VanDerWaalsContact C-N 3.34Å; L35-A37 PolarHBondContact O-N 2.94Å; A37-R41 PolarHBondContact O-N 3.5Å
38H84.2Confident78Confident86 Ų8698.7 Ų98.740%0.39851%0.514SS..Hα-helixtrans-69-37.6177.182.6-89.2000111.6Q34 L35 D36 R41 Q42Q34-H38 PolarHBondContact O-N 2.87Å; Q34-H38 VanDerWaalsContact O-N 3.17Å; Q34-H38 PolarHBondContact O-ND1 3.46Å; L35-H38 VanDerWaalsContact C-CE1 3.5Å; L35-H38 VanDerWaalsContact C-ND1 3.27Å; L35-H38 VanDerWaalsContact CA-CE1 3.43Å; L35-H38 WeakPolarHBondContact CA-CE1 3.47Å; L35-H38 WeakPolarHBondContact CA-ND1 3.16Å; L35-H38 PolarHBondContact O-CE1 3.19Å; L35-H38 PolarHBondContact O-ND1 2.95Å; D36-H38 PolarHBondContact O-N 2.74Å; H38-R41 PolarHBondContact O-N 2.96Å; H38-Q42 PolarHBondContact O-N 2.92Å
39T80.6Confident77.6Confident10 Ų1091.9 Ų91.96%0.06149%0.485CS..Hα-helixtrans-69.5-42.2179.6-600000111.1L35 D36 R41 Q42 L43 V49 Y83L35-T39 PolarHBondContact O-N 2.97Å; L35-T39 PolarHBondContact O-OG1 2.95Å; D36-T39 PolarHBondContact O-N 2.82Å; T39-R41 VanDerWaalsContact C-N 3.29Å; T39-R41 PolarHBondContact O-N 2.86Å; T39-Q42 PolarHBondContact O-N 3.24Å; T39-L43 HydrophobicContact CG2-CD1 4.18Å; T39-L43 PolarHBondContact O-N 3.36Å; T39-V49 HydrophobicContact CG2-CG2 4.43Å; T39-Y83 HydrophobicContact CG2-CD1 3.68Å; T39-Y83 HydrophobicContact CG2-CD2 3.52Å; T39-Y83 HydrophobicContact CG2-CE1 3.81Å; T39-Y83 HydrophobicContact CG2-CE2 3.68Å; T39-Y83 HydrophobicContact CG2-CG 3.55Å
40A81.7Confident77.5Confident45 Ų4589 Ų8937%0.37248%0.475SS..Hα-helixtrans-56.5-43.1175.900000111.8D36 Q42 L43 Q44D36-A40 WeakPolarHBondContact O-CB 3.18Å; D36-A40 PolarHBondContact O-N 3.44Å; A40-Q42 PolarHBondContact O-N 3.07Å; A40-L43 PolarHBondContact O-N 2.98Å; A40-Q44 WeakPolarHBondContact O-CG 3.45Å; A40-Q44 PolarHBondContact O-N 2.99Å
41R83.8Confident77.7Confident178 Ų17886.4 Ų86.467%0.67247%0.466SS*.Hα-helixtrans-60.5-41.9174.5-75.9-174.9177.9-178.90112.4A37 H38 T39 Q44 Y45A37-R41 PolarHBondContact O-N 3.5Å; H38-R41 PolarHBondContact O-N 2.96Å; T39-R41 VanDerWaalsContact C-N 3.29Å; T39-R41 PolarHBondContact O-N 2.86Å; R41-Q44 PolarHBondContact O-N 2.93Å; R41-Y45 WeakPolarHBondContact O-CD2 3.46Å; R41-Y45 PolarHBondContact O-N 3.34Å
42Q81.2Confident78Confident102 Ų10283.8 Ų83.848%0.47746%0.456SS..Hα-helixtrans-64.3-41.9178.6-69.6-177.527.100112.2H38 T39 A40 Q44 Y45 G47H38-Q42 PolarHBondContact O-N 2.92Å; T39-Q42 PolarHBondContact O-N 3.24Å; A40-Q42 PolarHBondContact O-N 3.07Å; Q42-Q44 VanDerWaalsContact C-N 3.33Å; Q42-Q44 PolarHBondContact O-N 3.28Å; Q42-Y45 PolarHBondContact O-N 3.48Å; Q42-G47 WeakPolarHBondContact O-CA 3.3Å; Q42-G47 PolarHBondContact O-N 3.49Å
43L78.6Confident78.4Confident92 Ų9280.8 Ų80.848%0.48244%0.442SS..Hα-helixtrans-63.9-36.8176.7-77167.7000112.5T39 A40 Y45 G46 V49 Y83T39-L43 HydrophobicContact CG2-CD1 4.18Å; T39-L43 PolarHBondContact O-N 3.36Å; A40-L43 PolarHBondContact O-N 2.98Å; L43-Y45 VanDerWaalsContact C-N 3.34Å; L43-Y45 PolarHBondContact O-N 2.89Å; L43-G46 PolarHBondContact O-N 3.09Å; L43-V49 HydrophobicContact CD1-CG2 4.23Å; L43-V49 HydrophobicContact CD2-CG2 3.32Å; L43-V49 HydrophobicContact CG-CG2 3.61Å; L43-Y83 HydrophobicContact CD1-CE2 4.15Å
44Q78.4Confident78.9Confident150 Ų15081.4 Ų81.470%0.70144%0.435SS*.Hα-helixtrans-65.4-33.5178.4-76.1176.8-3400113.2A40 R41 Q42 G46A40-Q44 WeakPolarHBondContact O-CG 3.45Å; A40-Q44 PolarHBondContact O-N 2.99Å; R41-Q44 PolarHBondContact O-N 2.93Å; Q42-Q44 VanDerWaalsContact C-N 3.33Å; Q42-Q44 PolarHBondContact O-N 3.28Å; Q44-G46 VanDerWaalsContact C-N 3.34Å
45Y73.9Confident79.5Confident204 Ų20475.4 Ų75.480%0.841%0.406SS*.THydrogen-bonded Turntrans-94.221.3179.5-65.2-69000113.7R41 Q42 L43 G47R41-Y45 WeakPolarHBondContact O-CD2 3.46Å; R41-Y45 PolarHBondContact O-N 3.34Å; Q42-Y45 PolarHBondContact O-N 3.48Å; L43-Y45 VanDerWaalsContact C-N 3.34Å; L43-Y45 PolarHBondContact O-N 2.89Å; Y45-G47 PolarHBondContact O-N 3.3Å
46G62.3Low80.3Confident71 Ų7171.7 Ų71.773%0.73239%0.389SS*.THydrogen-bonded Turntrans70.618.8177.400000114.2L43 Q44 S48L43-G46 PolarHBondContact O-N 3.09Å; Q44-G46 VanDerWaalsContact C-N 3.34Å; G46-S48 PolarHBondContact O-N 2.95Å
47G61.4Low81Confident34 Ų3469.5 Ų69.535%0.35138%0.378SS..PPolyproline II helixtrans-66.3130.2172.600000111Q42 Y45 V49Q42-G47 WeakPolarHBondContact O-CA 3.3Å; Q42-G47 PolarHBondContact O-N 3.49Å; Y45-G47 PolarHBondContact O-N 3.3Å; G47-V49 PolarHBondContact O-N 2.82Å
48S60.7Low81.7Confident94 Ų9468.6 Ų68.666%0.65737%0.367SS*.PPolyproline II helixtrans-69.9118.6170.958.30000109.1G46 N50G46-S48 PolarHBondContact O-N 2.95Å; S48-N50 PolarHBondContact O-N 2.68Å
49V66.1Low82.4Confident35 Ų3564.5 Ų64.521%0.21235%0.348CS..PPolyproline II helixtrans-76.6121.7170.9-1710000108.4T39 L43 G47 T51 Y83T39-V49 HydrophobicContact CG2-CG2 4.43Å; L43-V49 HydrophobicContact CD1-CG2 4.23Å; L43-V49 HydrophobicContact CD2-CG2 3.32Å; L43-V49 HydrophobicContact CG-CG2 3.61Å; G47-V49 PolarHBondContact O-N 2.82Å; V49-T51 PolarHBondContact O-N 3.35Å; V49-Y83 HydrophobicContact CG1-CE1 3.78Å; V49-Y83 WeakPolarHBondContact CG1-OH 3.43Å
50N75.9Confident83.3Confident93 Ų9365 Ų6550%0.49735%0.351SS..PPolyproline II helixtrans-57.2126.9172.9-67.8-45.8000108.3S48 P110 M180S48-N50 PolarHBondContact O-N 2.68Å; N50-P110 HydrophobicContact CB-CG 4.04Å; N50-P110 WeakPolarHBondContact O-CD 3.25Å; N50-M180 WeakPolarHBondContact OD1-CE 3.31Å
51T83.7Confident84.1Confident45 Ų4564.9 Ų64.928%0.27634%0.342SS..  trans-133.8142.8178.5174.80000109.6V49 G53 T107 V108 L175V49-T51 PolarHBondContact O-N 3.35Å; T51-G53 PolarHBondContact OG1-N 3.34Å; T51-G53 PolarHBondContact OG1-O 3.16Å; T51-T107 HydrophobicContact CG2-CG2 3.77Å; T51-T107 WeakPolarHBondContact OG1-CG2 3.43Å; T51-V108 CarbonylContact C-O 3.56Å; T51-V108 WeakPolarHBondContact CA-O 3.38Å; T51-V108 PolarHBondContact OG1-N 3.03Å; T51-V108 PolarHBondContact OG1-O 3.47Å; T51-L175 HydrophobicContact CG2-CD1 3.8Å
52V88.1Confident84.8Confident43 Ų4356.4 Ų56.426%0.26131%0.311SS..SBendtrans-89.3-12.2176.1-61.40000112.2V108 P110 F172V52-V108 HydrophobicContact CG2-CB 3.94Å; V52-V108 HydrophobicContact CG2-CG1 3.86Å; V52-V108 WeakPolarHBondContact CG2-O 3.23Å; V52-V108 PolarHBondContact N-O 2.98Å; V52-P110 HydrophobicContact CG1-CB 4.16Å; V52-P110 HydrophobicContact CG1-CG 4.09Å; V52-F172 HydrophobicContact CG2-CZ 4.33Å
53G91.1Very high85.6Confident0 Ų056.5 Ų56.50%031%0.309CS..EExtended strand (participates in β ladder)trans161.3-169.7178.400000113.6T51 V108 A173T51-G53 PolarHBondContact OG1-N 3.34Å; T51-G53 PolarHBondContact OG1-O 3.16Å; G53-V108 PolarHBondContact O-N 3.5Å; G53-A173 CarbonylContact C-O 3.57Å; G53-A173 VanDerWaalsContact CA-O 3.31Å; G53-A173 WeakPolarHBondContact CA-O 3.34Å
54R93.6Very high86.5Confident103 Ų10352.7 Ų52.739%0.38929%0.29SS..EExtended strand (participates in β ladder)trans-115.9118.9178.6-172.2176.9-63.6179.910110Q105 C106 F172 A173R54-Q105 HydrophobicContact CG-CB 4.38Å; R54-C106 CarbonylContact C-O 3.44Å; R54-C106 VanDerWaalsContact CA-O 3.32Å; R54-C106 WeakPolarHBondContact CA-O 3.49Å; R54-F172 WeakPolarHBondContact O-CA 3.27Å; R54-A173 PolarHBondContact N-O 2.82Å; R54-A173 PolarHBondContact O-N 2.99Å
55L96.2Very high87.4Confident0 Ų048 Ų480%028%0.276CS..EExtended strand (participates in β ladder)trans-93.3121.7170.9179.568.2000108.3I57 C106 V108 F115 I138 L142 M170 F172L55-I57 HydrophobicContact CD2-CD1 3.74Å; L55-I57 HydrophobicContact CD2-CG1 3.81Å; L55-I57 HydrophobicContact CG-CD1 4.26Å; L55-I57 HydrophobicContact CG-CG1 3.78Å; L55-C106 HydrophobicContact CB-CB 4.39Å; L55-C106 PolarHBondContact N-O 2.77Å; L55-C106 PolarHBondContact O-N 2.85Å; L55-V108 HydrophobicContact CB-CG2 3.52Å; L55-F115 HydrophobicContact CD2-CD1 4.37Å; L55-F115 HydrophobicContact CD2-CE1 4.45Å; L55-I138 HydrophobicContact CD1-CG2 4.36Å; L55-I138 HydrophobicContact CD2-CD1 3.84Å; L55-I138 HydrophobicContact CD2-CG1 4.06Å; L55-L142 HydrophobicContact CD1-CD1 3.96Å; L55-M170 HydrophobicContact CD1-CB 4.49Å; L55-F172 HydrophobicContact CB-CD2 4.19Å; L55-F172 HydrophobicContact CD1-CB 4.42Å; L55-F172 HydrophobicContact CD1-CD2 4.43Å
56S97.6Very high88.4Confident23 Ų2342.6 Ų42.616%0.16126%0.257CS..EExtended strand (participates in β ladder)trans-95.9119.9170.2-57.50000108.4I104 M170 S171S56-I104 WeakPolarHBondContact CA-O 3.41Å; S56-M170 VanDerWaalsContact O-CA 3.32Å; S56-M170 WeakPolarHBondContact O-CA 3.42Å; S56-S171 PolarHBondContact N-O 3.21Å; S56-S171 PolarHBondContact O-N 2.73Å
57I98.3Very high89.9Confident0 Ų042.1 Ų42.10%024%0.238CC..EExtended strand (participates in β ladder)trans-113.2112.8177.3-51.9175.1000107.7L55 V59 I79 I104 F115 L168 M170L55-I57 HydrophobicContact CD2-CD1 3.74Å; L55-I57 HydrophobicContact CD2-CG1 3.81Å; L55-I57 HydrophobicContact CG-CD1 4.26Å; L55-I57 HydrophobicContact CG-CG1 3.78Å; I57-V59 HydrophobicContact CG2-CG2 4.38Å; I57-I79 HydrophobicContact CB-CD1 4.39Å; I57-I79 HydrophobicContact CD1-CD1 4.13Å; I57-I79 HydrophobicContact CD1-CG2 4.13Å; I57-I79 HydrophobicContact CG2-CD1 3.98Å; I57-I104 PolarHBondContact N-O 3.33Å; I57-I104 PolarHBondContact O-N 3.34Å; I57-F115 HydrophobicContact CD1-CD1 4.15Å; I57-F115 HydrophobicContact CD1-CD2 4.37Å; I57-F115 HydrophobicContact CD1-CE1 3.94Å; I57-F115 HydrophobicContact CD1-CE2 4.16Å; I57-F115 HydrophobicContact CD1-CG 4.35Å; I57-F115 HydrophobicContact CD1-CZ 3.93Å; I57-L168 HydrophobicContact CG2-CD2 4.39Å; I57-M170 HydrophobicContact CG1-CG 4.47Å; I57-M170 HydrophobicContact CG2-CG 4.33Å
58T98.6Very high91.2Very high33 Ų3342.4 Ų42.420%0.20223%0.228CC..EExtended strand (participates in β ladder)trans-91.1110.7170.4-47.50000108.6V60 K102 V103 L168 V169T58-V60 HydrophobicContact CG2-CG2 4.06Å; T58-V60 PolarHBondContact O-N 2.8Å; T58-K102 CarbonylContact C-O 3.57Å; T58-K102 WeakPolarHBondContact CA-O 3.36Å; T58-V103 HydrophobicContact CG2-CG2 4.04Å; T58-L168 WeakPolarHBondContact O-CA 3.28Å; T58-V169 WeakPolarHBondContact CB-O 3.02Å; T58-V169 PolarHBondContact N-O 2.86Å; T58-V169 PolarHBondContact O-N 3.18Å; T58-V169 PolarHBondContact OG1-O 2.96Å
59V98.6Very high92.3Very high0 Ų038.6 Ų38.60%020%0.204CC..EExtended strand (participates in β ladder)trans-83.9101.6171.2-172.30000107.5I57 C77 I79 T88 W100 N101 K102 I104 I166 L168I57-V59 HydrophobicContact CG2-CG2 4.38Å; V59-C77 HydrophobicContact CG1-CB 4.25Å; V59-I79 HydrophobicContact CG2-CD1 3.9Å; V59-T88 HydrophobicContact CB-CG2 3.95Å; V59-T88 HydrophobicContact CG1-CG2 4.22Å; V59-T88 HydrophobicContact CG2-CG2 3.94Å; V59-W100 HydrophobicContact CG1-CD2 4.2Å; V59-W100 HydrophobicContact CG1-CE3 3.69Å; V59-W100 HydrophobicContact CG1-CZ3 4.19Å; V59-N101 WeakPolarHBondContact O-CA 3.08Å; V59-N101 PolarHBondContact O-N 3.2Å; V59-K102 PolarHBondContact N-O 3.03Å; V59-K102 PolarHBondContact O-N 3.04Å; V59-I104 HydrophobicContact CG2-CD1 4.32Å; V59-I166 HydrophobicContact CG1-CD1 4.01Å; V59-L168 HydrophobicContact CB-CD2 4.42Å; V59-L168 HydrophobicContact CG1-CD2 4.31Å; V59-L168 HydrophobicContact CG2-CD2 4.18Å
60V98.7Very high93Very high21 Ų2146.6 Ų46.613%0.12724%0.242CC..EExtended strand (participates in β ladder)trans-82.1-67.1-172.3-175.80000109.9T58 W100 N101 N167 V169T58-V60 HydrophobicContact CG2-CG2 4.06Å; T58-V60 PolarHBondContact O-N 2.8Å; V60-W100 PolarHBondContact O-N 3.49Å; V60-N101 PolarHBondContact O-N 2.74Å; V60-N101 VanDerWaalsContact O-N 3.14Å; V60-N167 HydrophobicContact CB-CB 4.33Å; V60-N167 VanDerWaalsContact CB-OD1 3.3Å; V60-N167 WeakPolarHBondContact CB-OD1 3.26Å; V60-N167 WeakPolarHBondContact CG1-OD1 3.13Å; V60-N167 WeakPolarHBondContact CG2-OD1 3.4Å; V60-N167 PolarHBondContact N-O 3.45Å; V60-N167 VanDerWaalsContact N-O 3.13Å; V60-V169 HydrophobicContact CG2-CG2 3.83Å
61Q98.6Very high93.5Very high41 Ų4147.5 Ų47.519%0.19225%0.251CS..EExtended strand (participates in β ladder)trans-161.2163.1-172.962.7-174.8-31.200111.1P98 R99 W151 N167Q61-P98 VanDerWaalsContact CA-O 3.28Å; Q61-P98 WeakPolarHBondContact CA-O 3.1Å; Q61-P98 WeakPolarHBondContact CB-O 3.37Å; Q61-R99 HydrophobicContact CB-CB 4.47Å; Q61-R99 HydrophobicContact CB-CG 3.9Å; Q61-W151 HydrophobicContact CG-CH2 3.72Å; Q61-W151 HydrophobicContact CG-CZ2 4.25Å; Q61-W151 HydrophobicContact CG-CZ3 4.5Å; Q61-N167 HydrophobicContact CG-CB 4.13Å; Q61-N167 PolarHBondContact O-N 2.94Å
62A98.6Very high93.8Very high1 Ų152 Ų521%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-127.7158.2169.200000111.4L64 N97 P98 W100 I119 M165 I166A62-L64 HydrophobicContact CB-CD2 4.21Å; A62-L64 HydrophobicContact CB-CG 4.5Å; A62-N97 WeakPolarHBondContact O-CA 3.49Å; A62-P98 HydrophobicContact CB-CG 4.02Å; A62-P98 PolarHBondContact N-O 2.8Å; A62-W100 HydrophobicContact CB-CH2 3.9Å; A62-W100 HydrophobicContact CB-CZ3 3.78Å; A62-I119 HydrophobicContact CB-CD1 4.21Å; A62-M165 CarbonylContact C-O 3.56Å; A62-M165 WeakPolarHBondContact CA-O 3.12Å; A62-I166 HydrophobicContact CB-CB 4.29Å; A62-I166 HydrophobicContact CB-CG1 4.2Å
63K98.4Very high94.2Very high103 Ų10350 Ų5045%0.44825%0.251SS..EExtended strand (participates in β ladder)trans-12398.9168.4-70.2178.3179.3171.30107.4K96 W151 G164 M165K63-K96 CarbonylContact C-O 3.59Å; K63-K96 WeakPolarHBondContact CA-O 3.43Å; K63-W151 HydrophobicContact CB-CZ3 4.4Å; K63-W151 HydrophobicContact CD-CH2 3.96Å; K63-W151 HydrophobicContact CD-CZ3 4.22Å; K63-W151 HydrophobicContact CG-CH2 3.97Å; K63-W151 HydrophobicContact CG-CZ3 4.06Å; K63-G164 CarbonylContact O-C 3.55Å; K63-G164 WeakPolarHBondContact O-CA 3.32Å; K63-M165 PolarHBondContact N-O 2.97Å; K63-M165 PolarHBondContact O-N 3.21Å
64L98Very high94.4Very high13 Ų1352.4 Ų52.47%0.06826%0.264CS..EExtended strand (participates in β ladder)trans-86.9142.3-176.8-55175.7000110.9A62 M73 K96 P98 I119 I131 A132 L154 E163A62-L64 HydrophobicContact CB-CD2 4.21Å; A62-L64 HydrophobicContact CB-CG 4.5Å; L64-M73 HydrophobicContact CD1-CE 3.74Å; L64-K96 PolarHBondContact N-O 3.05Å; L64-P98 HydrophobicContact CD1-CG 4.49Å; L64-I119 HydrophobicContact CD2-CD1 4Å; L64-I131 HydrophobicContact CD1-CD1 3.62Å; L64-A132 HydrophobicContact CD2-CB 4.34Å; L64-L154 HydrophobicContact CD2-CD1 3.71Å; L64-E163 WeakPolarHBondContact CA-O 3.43Å
65A96.9Very high94.6Very high51 Ų5147.5 Ų47.542%0.42125%0.245SC..SBendtrans-67.4-37.4-179.300000112.4K162 E163A65-K162 VanDerWaalsContact CB-O 3.24Å; A65-K162 WeakPolarHBondContact CB-O 3.22Å; A65-E163 PolarHBondContact N-O 3.18Å
66K94.8Very high94.7Very high91 Ų9148.6 Ų48.640%0.39625%0.249SC..  trans-134.8151.7-170.8-169.8165.5176.5-178.30112.3Y68 M73K66-Y68 HydrophobicContact CB-CE1 4.43Å; K66-Y68 HydrophobicContact CB-CE2 4.02Å; K66-Y68 HydrophobicContact CD-CD1 4.31Å; K66-Y68 HydrophobicContact CD-CE1 3.66Å; K66-Y68 HydrophobicContact CG-CD1 4.44Å; K66-Y68 HydrophobicContact CG-CE1 4.1Å; K66-Y68 HydrophobicContact CG-CE2 4.45Å; K66-M73 WeakPolarHBondContact O-CE 3.36Å
67N92.9Very high94.8Very high61 Ų6147.5 Ų47.533%0.32624%0.242SC..  trans-97.6117.9167.1-175.215.5000108.3G69 T71 M73 K96N67-G69 PolarHBondContact OD1-N 3.46Å; N67-T71 PolarHBondContact ND2-O 2.99Å; N67-M73 HydrophobicContact CB-CE 4.49Å; N67-M73 WeakPolarHBondContact OD1-CG 3.18Å; N67-K96 HydrophobicContact CB-CG 4.16Å
68Y89.6Confident94.8Very high39 Ų3950.8 Ų50.815%0.15325%0.254CS..  trans-98.7-14.1178.7-65.2-74.8000113.4K66 M73 I131 R157 Q158 E163K66-Y68 HydrophobicContact CB-CE1 4.43Å; K66-Y68 HydrophobicContact CB-CE2 4.02Å; K66-Y68 HydrophobicContact CD-CD1 4.31Å; K66-Y68 HydrophobicContact CD-CE1 3.66Å; K66-Y68 HydrophobicContact CG-CD1 4.44Å; K66-Y68 HydrophobicContact CG-CE1 4.1Å; K66-Y68 HydrophobicContact CG-CE2 4.45Å; Y68-M73 HydrophobicContact CD2-SD 4.17Å; Y68-M73 PolarHBondContact N-SD 3.24Å; Y68-I131 HydrophobicContact CD2-CB 3.9Å; Y68-I131 HydrophobicContact CD2-CG2 3.76Å; Y68-I131 HydrophobicContact CE2-CB 4.3Å; Y68-I131 HydrophobicContact CG-CG2 4.31Å; Y68-R157 HydrophobicContact CE1-CB 4.44Å; Y68-Q158 WeakPolarHBondContact OH-CG 3.41Å; Y68-E163 WeakPolarHBondContact CE2-OE1 3.42Å; Y68-E163 VanDerWaalsContact CZ-OE1 3.25Å; Y68-E163 PolarHBondContact OH-OE1 2.9Å; Y68-E163 PolarHBondContact OH-OE2 2.79Å; Y68-E163 VanDerWaalsContact OH-OE2 3.06Å
69G83.6Confident94.8Very high15 Ų1549.2 Ų49.216%0.15524%0.244CC..SBendtrans-68.8151.1174.800000111.2N67 T71N67-G69 PolarHBondContact OD1-N 3.46Å; G69-T71 PolarHBondContact O-N 2.98Å
70M80.3Confident94.7Very high202 Ų20253.2 Ų53.2100%0.99526%0.259SS*.SBendtrans-65-33.4171.2-168.6169.7-173.300111.1
71T86.5Confident94.5Very high113 Ų11352.2 Ų52.269%0.69325%0.253SS*.SBendtrans-109.9-128170560000109.4N67 G69N67-T71 PolarHBondContact ND2-O 2.99Å; G69-T71 PolarHBondContact O-N 2.98Å
72R91.7Very high94.1Very high139 Ų13951.4 Ų51.453%0.52526%0.256SS..SBendtrans-94.3136170.7-75-179.7167.4-160.311107.6N93 A95R72-N93 WeakPolarHBondContact CB-OD1 3.41Å; R72-N93 WeakPolarHBondContact CD-OD1 3.44Å; R72-N93 PolarHBondContact NH1-ND2 3.32Å; R72-A95 HydrophobicContact CB-CB 3.95Å; R72-A95 HydrophobicContact CG-CB 3.88Å
73M94.8Very high93.4Very high1 Ų153.7 Ų53.71%0.00527%0.265CS..  trans-65.1151.8173.7-70.3171.3-42.300111.4L64 K66 N67 Y68 P75 G94 A95 D121 I131L64-M73 HydrophobicContact CD1-CE 3.74Å; K66-M73 WeakPolarHBondContact O-CE 3.36Å; N67-M73 HydrophobicContact CB-CE 4.49Å; N67-M73 WeakPolarHBondContact OD1-CG 3.18Å; Y68-M73 HydrophobicContact CD2-SD 4.17Å; Y68-M73 PolarHBondContact N-SD 3.24Å; M73-P75 WeakPolarHBondContact O-CD 3.4Å; M73-G94 PolarHBondContact O-N 3.05Å; M73-A95 WeakPolarHBondContact CE-O 3.35Å; M73-A95 PolarHBondContact O-N 3.49Å; M73-D121 WeakPolarHBondContact CA-OD1 3.19Å; M73-D121 HydrophobicContact CB-CB 4.47Å; M73-D121 WeakPolarHBondContact CB-OD1 3.49Å; M73-D121 HydrophobicContact CG-CB 4.26Å; M73-D121 WeakPolarHBondContact CG-OD1 3.19Å; M73-I131 HydrophobicContact CE-CD1 4.1Å; M73-I131 HydrophobicContact SD-CD1 3.87Å; M73-I131 HydrophobicContact SD-CG2 4.19Å
74D96.8Very high93Very high51 Ų5149.5 Ų49.527%0.27325%0.249SC..  trans-114.575.9174.1-69.5-38.7000108.6T90 H92 N93 D121 E122D74-T90 HydrophobicContact CB-CG2 3.67Å; D74-T90 VanDerWaalsContact O-CG2 3.28Å; D74-T90 WeakPolarHBondContact O-CG2 3.46Å; D74-H92 VanDerWaalsContact OD1-CA 3.32Å; D74-H92 WeakPolarHBondContact OD1-CA 3.36Å; D74-N93 PolarHBondContact OD1-N 2.92Å; D74-D121 PolarHBondContact N-OD1 2.86Å; D74-E122 HydrophobicContact CB-CB 4.38Å; D74-E122 PolarHBondContact O-N 3.47Å
75P97.8Very high92.9Very high0 Ų052.6 Ų52.60%027%0.269CS..EExtended strand (participates in β ladder)trans-83.9145.5-168.433.2-38.9000114M73 A91 P98 W100 I119 F120 I131M73-P75 WeakPolarHBondContact O-CD 3.4Å; P75-A91 WeakPolarHBondContact CD-O 3.34Å; P75-A91 HydrophobicContact CG-CB 4.42Å; P75-A91 WeakPolarHBondContact O-CB 3.4Å; P75-A91 PolarHBondContact O-N 2.95Å; P75-P98 HydrophobicContact CB-CB 4.45Å; P75-P98 HydrophobicContact CB-CG 4.41Å; P75-P98 HydrophobicContact CG-CB 3.29Å; P75-P98 HydrophobicContact CG-CG 3.57Å; P75-W100 HydrophobicContact CB-CZ2 4.08Å; P75-W100 HydrophobicContact CG-CZ2 4.11Å; P75-W100 PolarHBondContact O-NE1 3.28Å; P75-I119 HydrophobicContact CB-CG2 3.91Å; P75-F120 CarbonylContact C-O 3.51Å; P75-F120 WeakPolarHBondContact CA-O 3.48Å; P75-F120 WeakPolarHBondContact CB-O 3.32Å; P75-I131 HydrophobicContact CB-CD1 4.19Å
76Y98.6Very high92.9Very high22 Ų2252.9 Ų52.99%0.08626%0.259CS..EExtended strand (participates in β ladder)trans-132.3156.6167.870.3-86.4000110.8E87 I119 F120 E122 D128Y76-E87 HydrophobicContact CE2-CG 4.46Å; Y76-I119 WeakPolarHBondContact O-CA 3.3Å; Y76-F120 HydrophobicContact CD1-CB 3.98Å; Y76-F120 HydrophobicContact CD2-CB 4.49Å; Y76-F120 HydrophobicContact CE1-CB 3.44Å; Y76-F120 VanDerWaalsContact CE1-CB 3.44Å; Y76-F120 HydrophobicContact CE1-CG 4.41Å; Y76-F120 HydrophobicContact CE2-CB 4Å; Y76-F120 HydrophobicContact CE2-CD2 4.17Å; Y76-F120 HydrophobicContact CE2-CG 4.33Å; Y76-F120 HydrophobicContact CG-CB 4.48Å; Y76-F120 VanDerWaalsContact CZ-CB 3.45Å; Y76-F120 AromaticContact CZ-CG 3.95Å; Y76-F120 PolarHBondContact N-O 3.17Å; Y76-F120 PolarHBondContact O-N 3.27Å; Y76-E122 HydrophobicContact CD1-CB 4.09Å; Y76-E122 HydrophobicContact CE1-CB 4.13Å; Y76-D128 HydrophobicContact CE1-CB 4.43Å; Y76-D128 VanDerWaalsContact CE1-OD2 3.25Å; Y76-D128 WeakPolarHBondContact CE1-OD2 3.33Å; Y76-D128 PolarHBondContact OH-OD2 3.34Å
77C98.6Very high93.1Very high0 Ų053.5 Ų53.50%026%0.263CS..EExtended strand (participates in β ladder)trans-102.5138.7177.9-63.10000110.6V59 E87 T88 W100 E118V59-C77 HydrophobicContact CG1-CB 4.25Å; C77-E87 CarbonylContact O-C 3.34Å; C77-E87 VanDerWaalsContact O-CA 3.27Å; C77-E87 WeakPolarHBondContact O-CA 3.39Å; C77-T88 HydrophobicContact CB-CG2 3.89Å; C77-T88 PolarHBondContact N-OG1 2.83Å; C77-T88 PolarHBondContact O-N 2.91Å; C77-W100 VanDerWaalsContact SG-CH2 3.54Å; C77-E118 CarbonylContact C-O 3.59Å; C77-E118 VanDerWaalsContact CA-O 3.27Å; C77-E118 WeakPolarHBondContact CA-O 3.49Å
78R98.6Very high93.4Very high69 Ų6951 Ų5126%0.2625%0.25SS..EExtended strand (participates in β ladder)trans-116.7122.4169.8-174.917578.6-174.43.9109.5V85 Y86 E87 L117 E118 F120R78-V85 HydrophobicContact CG-CG1 3.52Å; R78-Y86 CarbonylContact C-O 3.5Å; R78-Y86 WeakPolarHBondContact CA-O 3.32Å; R78-E87 HydrophobicContact CB-CG 4.03Å; R78-E87 VanDerWaalsContact CD-OE1 3.31Å; R78-E87 WeakPolarHBondContact CD-OE1 3.49Å; R78-E87 HydrophobicContact CG-CG 3.86Å; R78-L117 WeakPolarHBondContact O-CA 3.4Å; R78-E118 IonicContact CZ-OE2 2.88Å; R78-E118 VanDerWaalsContact CZ-OE2 3.24Å; R78-E118 PolarHBondContact N-O 3.03Å; R78-E118 IonicContact NE-OE2 3.52Å; R78-E118 PolarHBondContact NE-OE2 3.06Å; R78-E118 IonicContact NH2-OE1 3.66Å; R78-E118 IonicContact NH2-OE2 3.27Å; R78-E118 PolarHBondContact NH2-OE2 3.47Å; R78-E118 PolarHBondContact O-N 3.35Å; R78-F120 HydrophobicContact CB-CD2 4.23Å; R78-F120 HydrophobicContact CB-CE2 4.09Å
79I98.3Very high93.8Very high0 Ų052.8 Ų52.80%027%0.267CS..EExtended strand (participates in β ladder)trans-109.8122.1179.5-62.4177.6000108.5I57 V59 V85 Y86 I104 F115 Y116 L117I57-I79 HydrophobicContact CB-CD1 4.39Å; I57-I79 HydrophobicContact CD1-CD1 4.13Å; I57-I79 HydrophobicContact CD1-CG2 4.13Å; I57-I79 HydrophobicContact CG2-CD1 3.98Å; V59-I79 HydrophobicContact CG2-CD1 3.9Å; I79-V85 CarbonylContact O-C 3.53Å; I79-V85 WeakPolarHBondContact O-CA 3.13Å; I79-Y86 PolarHBondContact N-O 2.84Å; I79-Y86 PolarHBondContact O-N 2.78Å; I79-I104 HydrophobicContact CD1-CD1 3.92Å; I79-F115 HydrophobicContact CG2-CB 4.26Å; I79-F115 HydrophobicContact CG2-CD2 3.77Å; I79-F115 HydrophobicContact CG2-CE2 4.46Å; I79-F115 HydrophobicContact CG2-CG 4.24Å; I79-Y116 WeakPolarHBondContact CA-O 3.39Å; I79-L117 HydrophobicContact CD1-CD1 4.24Å; I79-L117 HydrophobicContact CG1-CD1 4.03Å; I79-L117 HydrophobicContact CG1-CG 4.19Å
80R96.7Very high94.5Very high84 Ų8453.5 Ų53.532%0.31727%0.268SS..EExtended strand (participates in β ladder)trans-105.9115.8170.6-173.417567.2-134-1.8109.7A84 V85 F115 Y116R80-A84 WeakPolarHBondContact CA-O 3.31Å; R80-V85 HydrophobicContact CB-CG2 4.46Å; R80-V85 HydrophobicContact CG-CG2 4.22Å; R80-F115 WeakPolarHBondContact O-CA 3.3Å; R80-F115 WeakPolarHBondContact O-CB 3.34Å; R80-Y116 PolarHBondContact N-O 3.29Å; R80-Y116 PolarHBondContact O-N 3.46Å
81L94.8Very high95.3Very high0 Ų044.4 Ų44.40%023%0.225CC..EExtended strand (participates in β ladder)trans-123.2109176.817975.5000108.8Y83 A84 C106 V108 V112 S114 F115 I138L81-Y83 PolarHBondContact O-N 3.2Å; L81-A84 PolarHBondContact N-O 2.83Å; L81-A84 PolarHBondContact O-N 2.82Å; L81-C106 HydrophobicContact CD2-CB 3.47Å; L81-C106 VanDerWaalsContact CD2-CB 3.47Å; L81-V108 HydrophobicContact CD2-CG2 4.08Å; L81-V112 HydrophobicContact CD1-CG1 3.49Å; L81-V112 VanDerWaalsContact CD1-CG1 3.49Å; L81-V112 HydrophobicContact CG-CG1 4.13Å; L81-S114 WeakPolarHBondContact CD1-O 3.45Å; L81-F115 HydrophobicContact CB-CB 4.16Å; L81-F115 HydrophobicContact CD1-CB 3.75Å; L81-I138 HydrophobicContact CD1-CD1 3.9Å
82G89.9Confident95.8Very high24 Ų2445.8 Ų45.825%0.24722%0.223CC..THydrogen-bonded Turntrans58.8-119.4-171.200000110.8Q32Q32-G82 PolarHBondContact NE2-O 2.82Å
83Y84.9Confident95.8Very high50 Ų5043.4 Ų43.420%0.19622%0.221CC..THydrogen-bonded Turntrans-91.4-9.7177.660.2-97.9000113.7D36 T39 L43 V49 L81 P109D36-Y83 WeakPolarHBondContact OD1-CA 3.21Å; T39-Y83 HydrophobicContact CG2-CD1 3.68Å; T39-Y83 HydrophobicContact CG2-CD2 3.52Å; T39-Y83 HydrophobicContact CG2-CE1 3.81Å; T39-Y83 HydrophobicContact CG2-CE2 3.68Å; T39-Y83 HydrophobicContact CG2-CG 3.55Å; L43-Y83 HydrophobicContact CD1-CE2 4.15Å; V49-Y83 HydrophobicContact CG1-CE1 3.78Å; V49-Y83 WeakPolarHBondContact CG1-OH 3.43Å; L81-Y83 PolarHBondContact O-N 3.2Å; Y83-P109 HydrophobicContact CD1-CG 3.91Å; Y83-P109 HydrophobicContact CE1-CB 4.02Å; Y83-P109 HydrophobicContact CE1-CG 3.38Å
84A89.9Confident95.8Very high14 Ų1444.2 Ų44.212%0.11623%0.229CC..EExtended strand (participates in β ladder)trans-94.8139.3-173.600000111R80 L81 Y86R80-A84 WeakPolarHBondContact CA-O 3.31Å; L81-A84 PolarHBondContact N-O 2.83Å; L81-A84 PolarHBondContact O-N 2.82Å; A84-Y86 HydrophobicContact CB-CD2 4.44Å; A84-Y86 HydrophobicContact CB-CE2 3.55Å
85V95.7Very high95.7Very high79 Ų7942.5 Ų42.548%0.47922%0.222SC..EExtended strand (participates in β ladder)trans-117.8132.7174.8-179.50000108.9R78 I79 R80R78-V85 HydrophobicContact CG-CG1 3.52Å; I79-V85 CarbonylContact O-C 3.53Å; I79-V85 WeakPolarHBondContact O-CA 3.13Å; R80-V85 HydrophobicContact CB-CG2 4.46Å; R80-V85 HydrophobicContact CG-CG2 4.22Å
86Y97.4Very high95.7Very high57 Ų5747 Ų4722%0.22424%0.242CC..EExtended strand (participates in β ladder)trans-129.1143.8179.1-56.1-87.4000109.8R78 I79 A84 I104 C106 T107R78-Y86 CarbonylContact C-O 3.5Å; R78-Y86 WeakPolarHBondContact CA-O 3.32Å; I79-Y86 PolarHBondContact N-O 2.84Å; I79-Y86 PolarHBondContact O-N 2.78Å; A84-Y86 HydrophobicContact CB-CD2 4.44Å; A84-Y86 HydrophobicContact CB-CE2 3.55Å; Y86-I104 VanDerWaalsContact CB-CG2 3.46Å; Y86-I104 HydrophobicContact CD1-CG2 3.72Å; Y86-I104 HydrophobicContact CD2-CG2 4.28Å; Y86-I104 HydrophobicContact CG-CG2 3.57Å; Y86-C106 HydrophobicContact CD2-CB 4.42Å; Y86-C106 HydrophobicContact CE2-CB 3.78Å; Y86-T107 PolarHBondContact OH-N 2.84Å
87E97.8Very high95.7Very high103 Ų10350.7 Ų50.748%0.48126%0.263SS..EExtended strand (participates in β ladder)trans-128.5146.5-179.1-69178.3162.200111.4Y76 C77 R78Y76-E87 HydrophobicContact CE2-CG 4.46Å; C77-E87 CarbonylContact O-C 3.34Å; C77-E87 VanDerWaalsContact O-CA 3.27Å; C77-E87 WeakPolarHBondContact O-CA 3.39Å; R78-E87 HydrophobicContact CB-CG 4.03Å; R78-E87 VanDerWaalsContact CD-OE1 3.31Å; R78-E87 WeakPolarHBondContact CD-OE1 3.49Å; R78-E87 HydrophobicContact CG-CG 3.86Å
88T98.6Very high95.6Very high8 Ų850.8 Ų50.85%0.04926%0.264CS..PPolyproline II helixtrans-82.9157.6167.565.10000109.7V59 C77 W100 K102 I104V59-T88 HydrophobicContact CB-CG2 3.95Å; V59-T88 HydrophobicContact CG1-CG2 4.22Å; V59-T88 HydrophobicContact CG2-CG2 3.94Å; C77-T88 HydrophobicContact CB-CG2 3.89Å; C77-T88 PolarHBondContact N-OG1 2.83Å; C77-T88 PolarHBondContact O-N 2.91Å; T88-W100 HydrophobicContact CG2-CG 4.49Å; T88-K102 HydrophobicContact CG2-CB 4.08Å; T88-K102 HydrophobicContact CG2-CG 4.18Å; T88-I104 HydrophobicContact CG2-CD1 3.91Å
89P98.2Very high95.6Very high77 Ų7755.5 Ų55.550%0.528%0.281SS..PPolyproline II helixtrans-56.4158.8159.7-2032.5000110.8W100 K102P89-W100 PolarHBondContact O-NE1 3.35Å; P89-K102 HydrophobicContact CG-CD 4.48Å
90T98.1Very high95.6Very high30 Ų3056.9 Ų56.918%0.18429%0.287CS..PPolyproline II helixtrans-72.7132.9175.1-60.90000111.6D74 H92 E122D74-T90 HydrophobicContact CB-CG2 3.67Å; D74-T90 VanDerWaalsContact O-CG2 3.28Å; D74-T90 WeakPolarHBondContact O-CG2 3.46Å; T90-H92 PolarHBondContact O-N 3.34Å; T90-H92 VanDerWaalsContact O-N 3.16Å; T90-E122 WeakPolarHBondContact CB-OE2 3.35Å; T90-E122 HydrophobicContact CG2-CB 4.14Å; T90-E122 VanDerWaalsContact CG2-OE2 3.26Å; T90-E122 WeakPolarHBondContact CG2-OE2 3.39Å; T90-E122 PolarHBondContact OG1-OE2 3.37Å
91A97.9Very high95.7Very high11 Ų1158.1 Ų58.19%0.09130%0.3CS..  trans-84.481.7170.700000109.2P75 N93 G94 P98P75-A91 WeakPolarHBondContact CD-O 3.34Å; P75-A91 HydrophobicContact CG-CB 4.42Å; P75-A91 WeakPolarHBondContact O-CB 3.4Å; P75-A91 PolarHBondContact O-N 2.95Å; A91-N93 PolarHBondContact O-N 3.03Å; A91-G94 PolarHBondContact O-N 3.22Å; A91-P98 HydrophobicContact CB-CB 3.76Å
92H96.1Very high95.8Very high142 Ų14262.3 Ų62.366%0.65732%0.318SS*.THydrogen-bonded Turntrans-52.6132.3179.6-61.6-62000111.6D74 T90 G94D74-H92 VanDerWaalsContact OD1-CA 3.32Å; D74-H92 WeakPolarHBondContact OD1-CA 3.36Å; T90-H92 PolarHBondContact O-N 3.34Å; T90-H92 VanDerWaalsContact O-N 3.16Å; H92-G94 PolarHBondContact O-N 3.31Å
93N93.3Very high96.2Very high90 Ų9064.8 Ų64.848%0.48133%0.328SS..THydrogen-bonded Turntrans60.721.4179.8-151.833.7000114.3R72 D74 A91 A95R72-N93 WeakPolarHBondContact CB-OD1 3.41Å; R72-N93 WeakPolarHBondContact CD-OD1 3.44Å; R72-N93 PolarHBondContact NH1-ND2 3.32Å; D74-N93 PolarHBondContact OD1-N 2.92Å; A91-N93 PolarHBondContact O-N 3.03Å; N93-A95 VanDerWaalsContact C-N 3.32Å; N93-A95 PolarHBondContact O-N 3.19Å
94G93.9Very high96.8Very high17 Ų1762.9 Ų62.918%0.17532%0.321CS..  trans-68.5-27.2-175.400000113.9M73 A91 H92 K96 N97M73-G94 PolarHBondContact O-N 3.05Å; A91-G94 PolarHBondContact O-N 3.22Å; H92-G94 PolarHBondContact O-N 3.31Å; G94-K96 PolarHBondContact O-N 3.33Å; G94-N97 CarbonylContact O-C 3.5Å; G94-N97 PolarHBondContact O-N 2.91Å
95A94.9Very high97.1Very high15 Ų1567.5 Ų67.512%0.12434%0.341CS..THydrogen-bonded Turntrans47.4-122.1178.900000111.7R72 M73 N93R72-A95 HydrophobicContact CB-CB 3.95Å; R72-A95 HydrophobicContact CG-CB 3.88Å; M73-A95 WeakPolarHBondContact CE-O 3.35Å; M73-A95 PolarHBondContact O-N 3.49Å; N93-A95 VanDerWaalsContact C-N 3.32Å; N93-A95 PolarHBondContact O-N 3.19Å
96K97.4Very high97Very high95 Ų9563.8 Ų63.841%0.41332%0.318SS..THydrogen-bonded Turntrans-82.2-11.8180-64.4-167.4-61.1176.60114.8K63 L64 N67 G94 P98K63-K96 CarbonylContact C-O 3.59Å; K63-K96 WeakPolarHBondContact CA-O 3.43Å; L64-K96 PolarHBondContact N-O 3.05Å; N67-K96 HydrophobicContact CB-CG 4.16Å; G94-K96 PolarHBondContact O-N 3.33Å; K96-P98 VanDerWaalsContact C-CD 3.42Å
97N97.8Very high96.7Very high100 Ų10063.4 Ų63.454%0.53532%0.321SS..SBendtrans-132.557.6-174.8-58.5-83000111.6A62 G94A62-N97 WeakPolarHBondContact O-CA 3.49Å; G94-N97 CarbonylContact O-C 3.5Å; G94-N97 PolarHBondContact O-N 2.91Å
98P98.1Very high96.4Very high1 Ų158.5 Ų58.51%0.00630%0.298CS..  trans-67.7151179.632-38.5000112.4Q61 A62 L64 P75 A91 K96 W100Q61-P98 VanDerWaalsContact CA-O 3.28Å; Q61-P98 WeakPolarHBondContact CA-O 3.1Å; Q61-P98 WeakPolarHBondContact CB-O 3.37Å; A62-P98 HydrophobicContact CB-CG 4.02Å; A62-P98 PolarHBondContact N-O 2.8Å; L64-P98 HydrophobicContact CD1-CG 4.49Å; P75-P98 HydrophobicContact CB-CB 4.45Å; P75-P98 HydrophobicContact CB-CG 4.41Å; P75-P98 HydrophobicContact CG-CB 3.29Å; P75-P98 HydrophobicContact CG-CG 3.57Å; A91-P98 HydrophobicContact CB-CB 3.76Å; K96-P98 VanDerWaalsContact C-CD 3.42Å; P98-W100 HydrophobicContact CB-CH2 3.72Å; P98-W100 HydrophobicContact CB-CZ2 3.63Å; P98-W100 HydrophobicContact CB-CZ3 4.23Å; P98-W100 HydrophobicContact CG-CH2 3.27Å; P98-W100 HydrophobicContact CG-CZ2 3.66Å; P98-W100 HydrophobicContact CG-CZ3 3.87Å
99R98.4Very high96Very high168 Ų16858.6 Ų58.663%0.63430%0.3SS*.EExtended strand (participates in β ladder)trans-134.5128.5177.7-61.9-172.6169.6-163.4-3.8108.7Q61Q61-R99 HydrophobicContact CB-CB 4.47Å; Q61-R99 HydrophobicContact CB-CG 3.9Å
100W98.5Very high95.5Very high30 Ų3058.6 Ų58.611%0.11430%0.299CS..EExtended strand (participates in β ladder)trans-114.9-41.5-178.8-59.5-83.2000111.5V59 V60 A62 P75 C77 T88 P89 P98 K102 I119 I166V59-W100 HydrophobicContact CG1-CD2 4.2Å; V59-W100 HydrophobicContact CG1-CE3 3.69Å; V59-W100 HydrophobicContact CG1-CZ3 4.19Å; V60-W100 PolarHBondContact O-N 3.49Å; A62-W100 HydrophobicContact CB-CH2 3.9Å; A62-W100 HydrophobicContact CB-CZ3 3.78Å; P75-W100 HydrophobicContact CB-CZ2 4.08Å; P75-W100 HydrophobicContact CG-CZ2 4.11Å; P75-W100 PolarHBondContact O-NE1 3.28Å; C77-W100 VanDerWaalsContact SG-CH2 3.54Å; T88-W100 HydrophobicContact CG2-CG 4.49Å; P89-W100 PolarHBondContact O-NE1 3.35Å; P98-W100 HydrophobicContact CB-CH2 3.72Å; P98-W100 HydrophobicContact CB-CZ2 3.63Å; P98-W100 HydrophobicContact CB-CZ3 4.23Å; P98-W100 HydrophobicContact CG-CH2 3.27Å; P98-W100 HydrophobicContact CG-CZ2 3.66Å; P98-W100 HydrophobicContact CG-CZ3 3.87Å; W100-K102 HydrophobicContact CB-CB 4.21Å; W100-K102 PolarHBondContact O-N 3.47Å; W100-K102 VanDerWaalsContact O-N 3.16Å; W100-I119 HydrophobicContact CH2-CG2 4.45Å; W100-I119 HydrophobicContact CZ2-CG2 4.47Å; W100-I166 HydrophobicContact CZ3-CD1 4.46Å
101N97.6Very high95Very high110 Ų11061 Ų6159%0.58833%0.331SS*.EExtended strand (participates in β ladder)trans4739.9-172.6-55.3-62.5000111.9V59 V60V59-N101 WeakPolarHBondContact O-CA 3.08Å; V59-N101 PolarHBondContact O-N 3.2Å; V60-N101 PolarHBondContact O-N 2.74Å; V60-N101 VanDerWaalsContact O-N 3.14Å
102K98.1Very high94.7Very high87 Ų8761.8 Ų61.838%0.37833%0.334SS..EExtended strand (participates in β ladder)trans-101.4122.9-174.2179.567.1177.6-164.90109.5T58 V59 T88 P89 W100 I104T58-K102 CarbonylContact C-O 3.57Å; T58-K102 WeakPolarHBondContact CA-O 3.36Å; V59-K102 PolarHBondContact N-O 3.03Å; V59-K102 PolarHBondContact O-N 3.04Å; T88-K102 HydrophobicContact CG2-CB 4.08Å; T88-K102 HydrophobicContact CG2-CG 4.18Å; P89-K102 HydrophobicContact CG-CD 4.48Å; W100-K102 HydrophobicContact CB-CB 4.21Å; W100-K102 PolarHBondContact O-N 3.47Å; W100-K102 VanDerWaalsContact O-N 3.16Å; K102-I104 HydrophobicContact CG-CG1 4.11Å
103V98.3Very high94.6Very high77 Ų7759.4 Ų59.447%0.46733%0.326SS..EExtended strand (participates in β ladder)trans-86.4125.7168.3-171.20000108.9T58T58-V103 HydrophobicContact CG2-CG2 4.04Å
104I97.3Very high94.7Very high10 Ų1056.4 Ų56.45%0.05131%0.312CS..EExtended strand (participates in β ladder)trans-111.9126.5173-62.5174.5000107.5S56 I57 V59 I79 Y86 T88 K102 C106S56-I104 WeakPolarHBondContact CA-O 3.41Å; I57-I104 PolarHBondContact N-O 3.33Å; I57-I104 PolarHBondContact O-N 3.34Å; V59-I104 HydrophobicContact CG2-CD1 4.32Å; I79-I104 HydrophobicContact CD1-CD1 3.92Å; Y86-I104 VanDerWaalsContact CB-CG2 3.46Å; Y86-I104 HydrophobicContact CD1-CG2 3.72Å; Y86-I104 HydrophobicContact CD2-CG2 4.28Å; Y86-I104 HydrophobicContact CG-CG2 3.57Å; T88-I104 HydrophobicContact CG2-CD1 3.91Å; K102-I104 HydrophobicContact CG-CG1 4.11Å; I104-C106 VanDerWaalsContact CG2-SG 3.58Å
105Q95.6Very high94.9Very high111 Ų11155.7 Ų55.752%0.51930%0.304SS..EExtended strand (participates in β ladder)trans-98.6108.9175.8-69.6-170.41.400109.5R54R54-Q105 HydrophobicContact CG-CB 4.38Å
106C93.5Very high95Very high0 Ų057 Ų570%031%0.306CS..EExtended strand (participates in β ladder)trans-102.2134.2-178-50.80000110.5R54 L55 L81 Y86 I104R54-C106 CarbonylContact C-O 3.44Å; R54-C106 VanDerWaalsContact CA-O 3.32Å; R54-C106 WeakPolarHBondContact CA-O 3.49Å; L55-C106 HydrophobicContact CB-CB 4.39Å; L55-C106 PolarHBondContact N-O 2.77Å; L55-C106 PolarHBondContact O-N 2.85Å; L81-C106 HydrophobicContact CD2-CB 3.47Å; L81-C106 VanDerWaalsContact CD2-CB 3.47Å; Y86-C106 HydrophobicContact CD2-CB 4.42Å; Y86-C106 HydrophobicContact CE2-CB 3.78Å; I104-C106 VanDerWaalsContact CG2-SG 3.58Å
107T92Very high95.1Very high49 Ų4952.4 Ų52.430%0.30129%0.286SS..EExtended strand (participates in β ladder)trans-83.6125.8168.7-60.40000107.9T51 Y86 P109T51-T107 HydrophobicContact CG2-CG2 3.77Å; T51-T107 WeakPolarHBondContact OG1-CG2 3.43Å; Y86-T107 PolarHBondContact OH-N 2.84Å; T107-P109 WeakPolarHBondContact O-CD 3.37Å
108V91.9Very high95.1Very high0 Ų047.9 Ų47.90%026%0.262CS..EExtended strand (participates in β ladder)trans-95.8113.4-175.3-170.30000110.4T51 V52 G53 L55 L81 V112 F172T51-V108 CarbonylContact C-O 3.56Å; T51-V108 WeakPolarHBondContact CA-O 3.38Å; T51-V108 PolarHBondContact OG1-N 3.03Å; T51-V108 PolarHBondContact OG1-O 3.47Å; V52-V108 HydrophobicContact CG2-CB 3.94Å; V52-V108 HydrophobicContact CG2-CG1 3.86Å; V52-V108 WeakPolarHBondContact CG2-O 3.23Å; V52-V108 PolarHBondContact N-O 2.98Å; G53-V108 PolarHBondContact O-N 3.5Å; L55-V108 HydrophobicContact CB-CG2 3.52Å; L81-V108 HydrophobicContact CD2-CG2 4.08Å; V108-V112 HydrophobicContact CG1-CB 4.36Å; V108-F172 HydrophobicContact CB-CE2 4.1Å; V108-F172 HydrophobicContact CG2-CD2 4.17Å; V108-F172 HydrophobicContact CG2-CE2 3.66Å
109P89.5Confident95.1Very high11 Ų1147.8 Ų47.87%0.07126%0.261CS..  trans-68.8155.8176.2-17.232.6000111.8Y83 T107 G111 V112Y83-P109 HydrophobicContact CD1-CG 3.91Å; Y83-P109 HydrophobicContact CE1-CB 4.02Å; Y83-P109 HydrophobicContact CE1-CG 3.38Å; T107-P109 WeakPolarHBondContact O-CD 3.37Å; P109-G111 PolarHBondContact O-N 2.9Å; P109-V112 HydrophobicContact CB-CG2 3.92Å; P109-V112 HydrophobicContact CG-CG2 4.06Å; P109-V112 PolarHBondContact O-N 3.31Å
110P87.3Confident95.1Very high76 Ų7640.7 Ų40.749%0.49424%0.235SC..THydrogen-bonded Turntrans-54.7137.5171.3-23.930.9000112N50 V52 V112N50-P110 HydrophobicContact CB-CG 4.04Å; N50-P110 WeakPolarHBondContact O-CD 3.25Å; V52-P110 HydrophobicContact CG1-CB 4.16Å; V52-P110 HydrophobicContact CG1-CG 4.09Å; P110-V112 PolarHBondContact O-N 3.49Å
111G87.8Confident95Very high82 Ų8239.5 Ų39.585%0.84523%0.231SC*.THydrogen-bonded Turntrans78.6-4179.100000115.4P109P109-G111 PolarHBondContact O-N 2.9Å
112V91.5Very high94.9Very high26 Ų2638.1 Ų38.116%0.15822%0.221CC..  trans-88.3121.4173.9-178.40000109.8L81 V108 P109 P110 S114L81-V112 HydrophobicContact CD1-CG1 3.49Å; L81-V112 VanDerWaalsContact CD1-CG1 3.49Å; L81-V112 HydrophobicContact CG-CG1 4.13Å; V108-V112 HydrophobicContact CG1-CB 4.36Å; P109-V112 HydrophobicContact CB-CG2 3.92Å; P109-V112 HydrophobicContact CG-CG2 4.06Å; P109-V112 PolarHBondContact O-N 3.31Å; P110-V112 PolarHBondContact O-N 3.49Å; V112-S114 WeakPolarHBondContact CG1-O 3.36Å
113D94Very high94.6Very high93 Ų9337.5 Ų37.550%0.49722%0.216SC..  trans-122.91.5-17866.1-1.2000113I138D113-I138 VanDerWaalsContact O-CB 3.3Å; D113-I138 WeakPolarHBondContact O-CB 3.47Å; D113-I138 WeakPolarHBondContact O-CG1 3.03Å; D113-I138 PolarHBondContact O-N 2.81Å
114S96Very high94Very high26 Ų2638.2 Ų38.218%0.18223%0.23CC..EExtended strand (participates in β ladder)trans-153.4156.6-17347.70000111L81 V112 H135 V136L81-S114 WeakPolarHBondContact CD1-O 3.45Å; V112-S114 WeakPolarHBondContact CG1-O 3.36Å; S114-H135 WeakPolarHBondContact CB-CE1 3.44Å; S114-H135 PolarHBondContact OG-NE2 2.94Å; S114-V136 CarbonylContact C-O 3.56Å; S114-V136 VanDerWaalsContact CA-O 3.23Å; S114-V136 WeakPolarHBondContact CA-O 3.4Å; S114-V136 WeakPolarHBondContact CB-O 3.15Å
115F97.3Very high93.5Very high2 Ų247.6 Ų47.61%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-133.5154.4173.163.1-88.8000111.1L55 I57 I79 R80 L81 L117 V136 I138 L168 M170L55-F115 HydrophobicContact CD2-CD1 4.37Å; L55-F115 HydrophobicContact CD2-CE1 4.45Å; I57-F115 HydrophobicContact CD1-CD1 4.15Å; I57-F115 HydrophobicContact CD1-CD2 4.37Å; I57-F115 HydrophobicContact CD1-CE1 3.94Å; I57-F115 HydrophobicContact CD1-CE2 4.16Å; I57-F115 HydrophobicContact CD1-CG 4.35Å; I57-F115 HydrophobicContact CD1-CZ 3.93Å; I79-F115 HydrophobicContact CG2-CB 4.26Å; I79-F115 HydrophobicContact CG2-CD2 3.77Å; I79-F115 HydrophobicContact CG2-CE2 4.46Å; I79-F115 HydrophobicContact CG2-CG 4.24Å; R80-F115 WeakPolarHBondContact O-CA 3.3Å; R80-F115 WeakPolarHBondContact O-CB 3.34Å; L81-F115 HydrophobicContact CB-CB 4.16Å; L81-F115 HydrophobicContact CD1-CB 3.75Å; F115-L117 HydrophobicContact CD2-CB 4.39Å; F115-L117 HydrophobicContact CE2-CB 4.27Å; F115-L117 HydrophobicContact CE2-CD1 4.45Å; F115-V136 HydrophobicContact CD1-CB 4.24Å; F115-V136 HydrophobicContact CD2-CB 4.31Å; F115-V136 HydrophobicContact CE1-CB 3.72Å; F115-V136 HydrophobicContact CE1-CG1 3.64Å; F115-V136 HydrophobicContact CE2-CB 3.8Å; F115-V136 HydrophobicContact CE2-CG1 4.4Å; F115-V136 HydrophobicContact CE2-CG2 3.96Å; F115-V136 HydrophobicContact CZ-CB 3.48Å; F115-V136 VanDerWaalsContact CZ-CB 3.48Å; F115-V136 HydrophobicContact CZ-CG1 3.59Å; F115-V136 HydrophobicContact CZ-CG2 3.93Å; F115-V136 PolarHBondContact N-O 2.85Å; F115-V136 PolarHBondContact O-N 2.87Å; F115-I138 HydrophobicContact CD1-CG1 4.03Å; F115-I138 HydrophobicContact CE1-CG1 4.39Å; F115-L168 HydrophobicContact CE2-CD1 4.23Å; F115-L168 HydrophobicContact CZ-CD1 4.02Å; F115-M170 HydrophobicContact CE1-SD 3.66Å; F115-M170 HydrophobicContact CZ-SD 3.77Å
116Y97.9Very high93.2Very high42 Ų4245.4 Ų45.417%0.16527%0.268CS..EExtended strand (participates in β ladder)trans-103125.6175.5-167.2-114.4000109.2I79 R80 E118 W133 T134 H135I79-Y116 WeakPolarHBondContact CA-O 3.39Å; R80-Y116 PolarHBondContact N-O 3.29Å; R80-Y116 PolarHBondContact O-N 3.46Å; Y116-E118 HydrophobicContact CD1-CG 3.65Å; Y116-E118 HydrophobicContact CE1-CG 3.26Å; Y116-W133 HydrophobicContact CE1-CB 4.43Å; Y116-W133 HydrophobicContact CE2-CB 4.37Å; Y116-W133 AromaticContact CE2-CD1 3.95Å; Y116-W133 HydrophobicContact CE2-CG 4.44Å; Y116-W133 AromaticContact CZ-CD1 3.84Å; Y116-W133 AromaticContact CZ-CG 3.97Å; Y116-W133 WeakPolarHBondContact OH-CB 3.3Å; Y116-T134 WeakPolarHBondContact CD2-O 3.32Å; Y116-H135 HydrophobicContact CD2-CB 4.3Å
117L98.6Very high93.1Very high0 Ų053.5 Ų53.50%031%0.308CS..EExtended strand (participates in β ladder)trans-111.5130.5177-175.5152.4000109.1R78 I79 F115 I119 W133 T134 I166 L168R78-L117 WeakPolarHBondContact O-CA 3.4Å; I79-L117 HydrophobicContact CD1-CD1 4.24Å; I79-L117 HydrophobicContact CG1-CD1 4.03Å; I79-L117 HydrophobicContact CG1-CG 4.19Å; F115-L117 HydrophobicContact CD2-CB 4.39Å; F115-L117 HydrophobicContact CE2-CB 4.27Å; F115-L117 HydrophobicContact CE2-CD1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 4.45Å; L117-I119 HydrophobicContact CD2-CG1 3.83Å; L117-W133 CarbonylContact O-C 3.59Å; L117-W133 WeakPolarHBondContact O-CA 3.32Å; L117-W133 WeakPolarHBondContact O-CB 3.34Å; L117-T134 HydrophobicContact CB-CG2 4.04Å; L117-T134 HydrophobicContact CD2-CG2 4.32Å; L117-T134 PolarHBondContact N-O 3.35Å; L117-T134 PolarHBondContact O-N 2.83Å; L117-I166 HydrophobicContact CD1-CD1 3.83Å; L117-I166 HydrophobicContact CD2-CD1 3.74Å; L117-I166 HydrophobicContact CG-CD1 4.47Å; L117-L168 HydrophobicContact CD1-CD1 4.15Å; L117-L168 HydrophobicContact CD1-CD2 4Å
118E98.4Very high93.3Very high4 Ų453.8 Ų53.82%0.01931%0.307CS..EExtended strand (participates in β ladder)trans-121.5145.3174.7-64.4173.7109.800109.3C77 R78 Y116 F120 R130 W133C77-E118 CarbonylContact C-O 3.59Å; C77-E118 VanDerWaalsContact CA-O 3.27Å; C77-E118 WeakPolarHBondContact CA-O 3.49Å; R78-E118 IonicContact CZ-OE2 2.88Å; R78-E118 VanDerWaalsContact CZ-OE2 3.24Å; R78-E118 PolarHBondContact N-O 3.03Å; R78-E118 IonicContact NE-OE2 3.52Å; R78-E118 PolarHBondContact NE-OE2 3.06Å; R78-E118 IonicContact NH2-OE1 3.66Å; R78-E118 IonicContact NH2-OE2 3.27Å; R78-E118 PolarHBondContact NH2-OE2 3.47Å; R78-E118 PolarHBondContact O-N 3.35Å; Y116-E118 HydrophobicContact CD1-CG 3.65Å; Y116-E118 HydrophobicContact CE1-CG 3.26Å; E118-F120 HydrophobicContact CB-CD2 4.1Å; E118-F120 HydrophobicContact CB-CE2 3.49Å; E118-F120 VanDerWaalsContact CB-CE2 3.49Å; E118-F120 HydrophobicContact CB-CZ 4.29Å; E118-F120 HydrophobicContact CG-CE2 4.36Å; E118-R130 HydrophobicContact CB-CG 4.45Å; E118-R130 WeakPolarHBondContact OE1-CD 3.46Å; E118-R130 IonicContact OE1-CZ 3.98Å; E118-R130 IonicContact OE1-NE 3.66Å; E118-R130 IonicContact OE1-NH1 3.08Å; E118-R130 PolarHBondContact OE1-NH1 2.97Å; E118-W133 HydrophobicContact CG-CB 4.1Å
119I98.4Very high93.4Very high0 Ų055.5 Ų55.50%032%0.317CS..EExtended strand (participates in β ladder)trans-113.8125.2171.1-48.8-178.1000107A62 L64 P75 Y76 W100 L117 I131 A132 L154 I166A62-I119 HydrophobicContact CB-CD1 4.21Å; L64-I119 HydrophobicContact CD2-CD1 4Å; P75-I119 HydrophobicContact CB-CG2 3.91Å; Y76-I119 WeakPolarHBondContact O-CA 3.3Å; W100-I119 HydrophobicContact CH2-CG2 4.45Å; W100-I119 HydrophobicContact CZ2-CG2 4.47Å; L117-I119 HydrophobicContact CD2-CD1 4.45Å; L117-I119 HydrophobicContact CD2-CG1 3.83Å; I119-I131 HydrophobicContact CB-CG1 4.09Å; I119-I131 HydrophobicContact CG2-CD1 3.87Å; I119-I131 HydrophobicContact CG2-CG1 3.91Å; I119-I131 VanDerWaalsContact O-CG1 3.26Å; I119-I131 WeakPolarHBondContact O-CG1 3.36Å; I119-I131 PolarHBondContact O-N 2.82Å; I119-A132 HydrophobicContact CB-CB 4.19Å; I119-A132 HydrophobicContact CD1-CB 4.24Å; I119-A132 HydrophobicContact CG1-CB 4.36Å; I119-A132 PolarHBondContact N-O 2.99Å; I119-A132 PolarHBondContact O-N 2.84Å; I119-L154 HydrophobicContact CD1-CD1 3.64Å; I119-L154 HydrophobicContact CD1-CD2 3.99Å; I119-I166 HydrophobicContact CD1-CD1 4.11Å
120F98Very high93.7Very high19 Ų1959.5 Ų59.58%0.08333%0.33CS..EExtended strand (participates in β ladder)trans-110.5153.8176.4-72.3-93.1000110P75 Y76 R78 E118 D128 D129 R130P75-F120 CarbonylContact C-O 3.51Å; P75-F120 WeakPolarHBondContact CA-O 3.48Å; P75-F120 WeakPolarHBondContact CB-O 3.32Å; Y76-F120 HydrophobicContact CD1-CB 3.98Å; Y76-F120 HydrophobicContact CD2-CB 4.49Å; Y76-F120 HydrophobicContact CE1-CB 3.44Å; Y76-F120 VanDerWaalsContact CE1-CB 3.44Å; Y76-F120 HydrophobicContact CE1-CG 4.41Å; Y76-F120 HydrophobicContact CE2-CB 4Å; Y76-F120 HydrophobicContact CE2-CD2 4.17Å; Y76-F120 HydrophobicContact CE2-CG 4.33Å; Y76-F120 HydrophobicContact CG-CB 4.48Å; Y76-F120 VanDerWaalsContact CZ-CB 3.45Å; Y76-F120 AromaticContact CZ-CG 3.95Å; Y76-F120 PolarHBondContact N-O 3.17Å; Y76-F120 PolarHBondContact O-N 3.27Å; R78-F120 HydrophobicContact CB-CD2 4.23Å; R78-F120 HydrophobicContact CB-CE2 4.09Å; E118-F120 HydrophobicContact CB-CD2 4.1Å; E118-F120 HydrophobicContact CB-CE2 3.49Å; E118-F120 VanDerWaalsContact CB-CE2 3.49Å; E118-F120 HydrophobicContact CB-CZ 4.29Å; E118-F120 HydrophobicContact CG-CE2 4.36Å; F120-D128 HydrophobicContact CB-CB 4.39Å; F120-D128 HydrophobicContact CD1-CB 4.16Å; F120-D129 CarbonylContact C-O 3.56Å; F120-D129 VanDerWaalsContact CA-O 3.27Å; F120-D129 WeakPolarHBondContact CA-O 3.46Å; F120-R130 HydrophobicContact CD1-CB 3.89Å; F120-R130 HydrophobicContact CD1-CG 4.42Å; F120-R130 HydrophobicContact CE1-CB 3.52Å; F120-R130 HydrophobicContact CE1-CG 4.02Å; F120-R130 HydrophobicContact CE2-CG 4.38Å; F120-R130 HydrophobicContact CZ-CB 3.97Å; F120-R130 HydrophobicContact CZ-CG 3.97Å
121D96.8Very high94.2Very high5 Ų556 Ų563%0.02731%0.307CS..EExtended strand (participates in β ladder)trans-100.7112.8165.9177.543.5000108M73 D74 R123 D128 D129 I131M73-D121 WeakPolarHBondContact CA-OD1 3.19Å; M73-D121 HydrophobicContact CB-CB 4.47Å; M73-D121 WeakPolarHBondContact CB-OD1 3.49Å; M73-D121 HydrophobicContact CG-CB 4.26Å; M73-D121 WeakPolarHBondContact CG-OD1 3.19Å; D74-D121 PolarHBondContact N-OD1 2.86Å; D121-R123 IonicContact OD2-NE 3.86Å; D121-R123 PolarHBondContact OD2-NE 3.33Å; D121-R123 IonicContact OD2-NH2 3.39Å; D121-D128 WeakPolarHBondContact O-CA 3.41Å; D121-D129 HydrophobicContact CB-CB 4.48Å; D121-D129 PolarHBondContact N-O 3.27Å; D121-D129 PolarHBondContact O-N 3.4Å; D121-I131 HydrophobicContact CB-CG2 3.91Å
122E95.5Very high94.7Very high81 Ų8152.1 Ų52.138%0.37927%0.267SS..  trans-68133.4178.2-172.4-177.816900110D74 Y76 T90 D128D74-E122 HydrophobicContact CB-CB 4.38Å; D74-E122 PolarHBondContact O-N 3.47Å; Y76-E122 HydrophobicContact CD1-CB 4.09Å; Y76-E122 HydrophobicContact CE1-CB 4.13Å; T90-E122 WeakPolarHBondContact CB-OE2 3.35Å; T90-E122 HydrophobicContact CG2-CB 4.14Å; T90-E122 VanDerWaalsContact CG2-OE2 3.26Å; T90-E122 WeakPolarHBondContact CG2-OE2 3.39Å; T90-E122 PolarHBondContact OG1-OE2 3.37Å; E122-D128 WeakPolarHBondContact CA-OD1 3.16Å
123R91.4Very high95Very high74 Ų7453.6 Ų53.628%0.27927%0.27SS..  trans-127.8130.8-179-66.9-174.1176.4165.94.4112.4D121 F125 S126 D128 D129D121-R123 IonicContact OD2-NE 3.86Å; D121-R123 PolarHBondContact OD2-NE 3.33Å; D121-R123 IonicContact OD2-NH2 3.39Å; R123-F125 VanDerWaalsContact C-N 3.34Å; R123-F125 PolarHBondContact O-N 3.16Å; R123-S126 WeakPolarHBondContact CB-OG 3.34Å; R123-S126 WeakPolarHBondContact CD-OG 3.24Å; R123-D128 PolarHBondContact N-OD1 3.44Å; R123-D129 IonicContact CZ-OD1 3.79Å; R123-D129 IonicContact CZ-OD2 2.73Å; R123-D129 VanDerWaalsContact CZ-OD2 3.27Å; R123-D129 IonicContact NH1-OD1 3.79Å; R123-D129 PolarHBondContact NH1-OD1 3.49Å; R123-D129 IonicContact NH1-OD2 3.54Å; R123-D129 PolarHBondContact NH1-OD2 3.06Å; R123-D129 IonicContact NH2-OD1 2.99Å; R123-D129 IonicContact NH2-OD2 3.21Å; R123-D129 PolarHBondContact NH2-OD2 3.02Å
124A86.3Confident95.2Very high91 Ų9149.9 Ų49.975%0.75225%0.25SS*.SBendtrans-67.2-28.6-177.900000114.7
125F85.9Confident95.3Very high208 Ų20853.9 Ų53.991%0.91227%0.266SS*.SBendtrans-127.37.5-170.8-57.4-69.3000114.1R123R123-F125 VanDerWaalsContact C-N 3.34Å; R123-F125 PolarHBondContact O-N 3.16Å
126S88.8Confident95.3Very high65 Ų6554 Ų5446%0.45527%0.267SS..SBendtrans-147.3174.3178.472.10000110.4R123R123-S126 WeakPolarHBondContact CB-OG 3.34Å; R123-S126 WeakPolarHBondContact CD-OG 3.24Å
127M92.4Very high95.3Very high170 Ų17056 Ų5684%0.83728%0.284SS*.PPolyproline II helixtrans-61.1150168.5-60-177.8-162.400110.7
128D95.2Very high95.1Very high55 Ų5556.6 Ų56.629%0.29429%0.287SS..PPolyproline II helixtrans-67.6136.2175.4-65.4-11.8000110.9Y76 F120 D121 E122 R123Y76-D128 HydrophobicContact CE1-CB 4.43Å; Y76-D128 VanDerWaalsContact CE1-OD2 3.25Å; Y76-D128 WeakPolarHBondContact CE1-OD2 3.33Å; Y76-D128 PolarHBondContact OH-OD2 3.34Å; F120-D128 HydrophobicContact CB-CB 4.39Å; F120-D128 HydrophobicContact CD1-CB 4.16Å; D121-D128 WeakPolarHBondContact O-CA 3.41Å; E122-D128 WeakPolarHBondContact CA-OD1 3.16Å; R123-D128 PolarHBondContact N-OD1 3.44Å
129D94.4Very high94.8Very high36 Ų3658.4 Ų58.419%0.19330%0.299CS..EExtended strand (participates in β ladder)trans-92.3122.5-179.5-98.226.9000109.6F120 D121 R123 I131 R157F120-D129 CarbonylContact C-O 3.56Å; F120-D129 VanDerWaalsContact CA-O 3.27Å; F120-D129 WeakPolarHBondContact CA-O 3.46Å; D121-D129 HydrophobicContact CB-CB 4.48Å; D121-D129 PolarHBondContact N-O 3.27Å; D121-D129 PolarHBondContact O-N 3.4Å; R123-D129 IonicContact CZ-OD1 3.79Å; R123-D129 IonicContact CZ-OD2 2.73Å; R123-D129 VanDerWaalsContact CZ-OD2 3.27Å; R123-D129 IonicContact NH1-OD1 3.79Å; R123-D129 PolarHBondContact NH1-OD1 3.49Å; R123-D129 IonicContact NH1-OD2 3.54Å; R123-D129 PolarHBondContact NH1-OD2 3.06Å; R123-D129 IonicContact NH2-OD1 2.99Å; R123-D129 IonicContact NH2-OD2 3.21Å; R123-D129 PolarHBondContact NH2-OD2 3.02Å; D129-I131 HydrophobicContact CB-CG2 4.47Å; D129-I131 PolarHBondContact O-N 3.13Å; D129-R157 VanDerWaalsContact CG-NH2 3.33Å; D129-R157 IonicContact OD2-CZ 2.75Å; D129-R157 IonicContact OD2-NH1 3.56Å; D129-R157 IonicContact OD2-NH2 3.76Å; D129-R157 PolarHBondContact OD2-NH2 3.03Å
130R96.7Very high94.4Very high95 Ų9566.3 Ų66.336%0.35834%0.336SS..EExtended strand (participates in β ladder)trans-67.8117165.4-165174.268.3-173.32.2109.1E118 F120 W133E118-R130 HydrophobicContact CB-CG 4.45Å; E118-R130 WeakPolarHBondContact OE1-CD 3.46Å; E118-R130 IonicContact OE1-CZ 3.98Å; E118-R130 IonicContact OE1-NE 3.66Å; E118-R130 IonicContact OE1-NH1 3.08Å; E118-R130 PolarHBondContact OE1-NH1 2.97Å; F120-R130 HydrophobicContact CD1-CB 3.89Å; F120-R130 HydrophobicContact CD1-CG 4.42Å; F120-R130 HydrophobicContact CE1-CB 3.52Å; F120-R130 HydrophobicContact CE1-CG 4.02Å; F120-R130 HydrophobicContact CE2-CG 4.38Å; F120-R130 HydrophobicContact CZ-CB 3.97Å; F120-R130 HydrophobicContact CZ-CG 3.97Å; R130-W133 HydrophobicContact CG-CE3 4.37Å
131I96.4Very high94Very high2 Ų266.6 Ų66.61%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-101.3-34.2-177.158.8175.9000112.5L64 Y68 M73 P75 I119 D121 D129 E163L64-I131 HydrophobicContact CD1-CD1 3.62Å; Y68-I131 HydrophobicContact CD2-CB 3.9Å; Y68-I131 HydrophobicContact CD2-CG2 3.76Å; Y68-I131 HydrophobicContact CE2-CB 4.3Å; Y68-I131 HydrophobicContact CG-CG2 4.31Å; M73-I131 HydrophobicContact CE-CD1 4.1Å; M73-I131 HydrophobicContact SD-CD1 3.87Å; M73-I131 HydrophobicContact SD-CG2 4.19Å; P75-I131 HydrophobicContact CB-CD1 4.19Å; I119-I131 HydrophobicContact CB-CG1 4.09Å; I119-I131 HydrophobicContact CG2-CD1 3.87Å; I119-I131 HydrophobicContact CG2-CG1 3.91Å; I119-I131 VanDerWaalsContact O-CG1 3.26Å; I119-I131 WeakPolarHBondContact O-CG1 3.36Å; I119-I131 PolarHBondContact O-N 2.82Å; D121-I131 HydrophobicContact CB-CG2 3.91Å; D129-I131 HydrophobicContact CB-CG2 4.47Å; D129-I131 PolarHBondContact O-N 3.13Å; I131-E163 WeakPolarHBondContact O-CG 3.27Å
132A98.3Very high93.8Very high0 Ų066.4 Ų66.40%034%0.343CS..EExtended strand (participates in β ladder)trans-152.1161.9-178.800000111.7L64 I119 L154 S155 E163L64-A132 HydrophobicContact CD2-CB 4.34Å; I119-A132 HydrophobicContact CB-CB 4.19Å; I119-A132 HydrophobicContact CD1-CB 4.24Å; I119-A132 HydrophobicContact CG1-CB 4.36Å; I119-A132 PolarHBondContact N-O 2.99Å; I119-A132 PolarHBondContact O-N 2.84Å; A132-L154 HydrophobicContact CB-CB 4.15Å; A132-L154 HydrophobicContact CB-CD1 4.16Å; A132-L154 HydrophobicContact CB-CD2 4.38Å; A132-L154 HydrophobicContact CB-CG 4.48Å; A132-S155 CarbonylContact C-O 3.29Å; A132-S155 WeakPolarHBondContact CA-O 3.27Å; A132-E163 HydrophobicContact CB-CB 4.14Å; A132-E163 HydrophobicContact CB-CG 3.64Å
133W98.6Very high93.5Very high58 Ų5867.7 Ų67.722%0.2235%0.345CS..EExtended strand (participates in β ladder)trans-156.2163.2174.261.987.7000111.9Y116 L117 E118 R130 S155 G156Y116-W133 HydrophobicContact CE1-CB 4.43Å; Y116-W133 HydrophobicContact CE2-CB 4.37Å; Y116-W133 AromaticContact CE2-CD1 3.95Å; Y116-W133 HydrophobicContact CE2-CG 4.44Å; Y116-W133 AromaticContact CZ-CD1 3.84Å; Y116-W133 AromaticContact CZ-CG 3.97Å; Y116-W133 WeakPolarHBondContact OH-CB 3.3Å; L117-W133 CarbonylContact O-C 3.59Å; L117-W133 WeakPolarHBondContact O-CA 3.32Å; L117-W133 WeakPolarHBondContact O-CB 3.34Å; E118-W133 HydrophobicContact CG-CB 4.1Å; R130-W133 HydrophobicContact CG-CE3 4.37Å; W133-S155 PolarHBondContact N-O 2.79Å; W133-S155 PolarHBondContact O-N 3.07Å; W133-G156 VanDerWaalsContact CH2-CA 3.44Å; W133-G156 VanDerWaalsContact CZ3-CA 3.47Å
134T98.5Very high93.4Very high14 Ų1470.4 Ų70.49%0.08637%0.365CS..EExtended strand (participates in β ladder)trans-154.3157.3171.8-169.50000110.9Y116 L117 V136 S153 L154 I166Y116-T134 WeakPolarHBondContact CD2-O 3.32Å; L117-T134 HydrophobicContact CB-CG2 4.04Å; L117-T134 HydrophobicContact CD2-CG2 4.32Å; L117-T134 PolarHBondContact N-O 3.35Å; L117-T134 PolarHBondContact O-N 2.83Å; T134-V136 HydrophobicContact CG2-CG2 3.94Å; T134-S153 WeakPolarHBondContact CB-O 3.27Å; T134-S153 PolarHBondContact OG1-O 3.45Å; T134-L154 HydrophobicContact CG2-CD2 3.95Å; T134-I166 HydrophobicContact CG2-CG2 4.28Å
135H97.6Very high93.4Very high111 Ų11168.6 Ų68.651%0.51436%0.355SS..EExtended strand (participates in β ladder)trans-112.8118.2174.6-176.6-89.5000108.5S114 Y116S114-H135 WeakPolarHBondContact CB-CE1 3.44Å; S114-H135 PolarHBondContact OG-NE2 2.94Å; Y116-H135 HydrophobicContact CD2-CB 4.3Å
136V97.5Very high93.8Very high3 Ų363.1 Ų63.12%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-112.6118.6-175-178.50000109S114 F115 T134 F152 L168 M170S114-V136 CarbonylContact C-O 3.56Å; S114-V136 VanDerWaalsContact CA-O 3.23Å; S114-V136 WeakPolarHBondContact CA-O 3.4Å; S114-V136 WeakPolarHBondContact CB-O 3.15Å; F115-V136 HydrophobicContact CD1-CB 4.24Å; F115-V136 HydrophobicContact CD2-CB 4.31Å; F115-V136 HydrophobicContact CE1-CB 3.72Å; F115-V136 HydrophobicContact CE1-CG1 3.64Å; F115-V136 HydrophobicContact CE2-CB 3.8Å; F115-V136 HydrophobicContact CE2-CG1 4.4Å; F115-V136 HydrophobicContact CE2-CG2 3.96Å; F115-V136 HydrophobicContact CZ-CB 3.48Å; F115-V136 VanDerWaalsContact CZ-CB 3.48Å; F115-V136 HydrophobicContact CZ-CG1 3.59Å; F115-V136 HydrophobicContact CZ-CG2 3.93Å; F115-V136 PolarHBondContact N-O 2.85Å; F115-V136 PolarHBondContact O-N 2.87Å; T134-V136 HydrophobicContact CG2-CG2 3.94Å; V136-F152 HydrophobicContact CG1-CD1 4.06Å; V136-F152 HydrophobicContact CG1-CE1 3.64Å; V136-F152 HydrophobicContact CG1-CZ 4.01Å; V136-F152 HydrophobicContact CG2-CD1 3.88Å; V136-F152 HydrophobicContact CG2-CE1 4.32Å; V136-F152 HydrophobicContact CG2-CG 4.13Å; V136-L168 HydrophobicContact CG2-CD1 4.24Å; V136-M170 HydrophobicContact CG1-CE 4.12Å; V136-M170 HydrophobicContact CG1-SD 4.34Å
137T96.8Very high94.2Very high86 Ų8664.5 Ų64.553%0.52834%0.341SS..EExtended strand (participates in β ladder)trans-77.5129.8168-55.70000108.9P139T137-P139 WeakPolarHBondContact O-CD 3.35Å
138I94.9Very high94.4Very high11 Ų1157.5 Ų57.56%0.05631%0.307CS..  trans-71.1113.4177.4-58.7168.5000107.6L55 L81 D113 F115 E140 L142L55-I138 HydrophobicContact CD1-CG2 4.36Å; L55-I138 HydrophobicContact CD2-CD1 3.84Å; L55-I138 HydrophobicContact CD2-CG1 4.06Å; L81-I138 HydrophobicContact CD1-CD1 3.9Å; D113-I138 VanDerWaalsContact O-CB 3.3Å; D113-I138 WeakPolarHBondContact O-CB 3.47Å; D113-I138 WeakPolarHBondContact O-CG1 3.03Å; D113-I138 PolarHBondContact O-N 2.81Å; F115-I138 HydrophobicContact CD1-CG1 4.03Å; F115-I138 HydrophobicContact CE1-CG1 4.39Å; I138-E140 PolarHBondContact O-N 2.94Å; I138-L142 HydrophobicContact CG2-CD1 3.96Å
139P93.3Very high94.6Very high43 Ų4359.7 Ų59.728%0.27932%0.319SS..  trans-64136.8-178.7-24.837.5000111.6T137 G141 L142 V148T137-P139 WeakPolarHBondContact O-CD 3.35Å; P139-G141 PolarHBondContact O-N 3.05Å; P139-L142 HydrophobicContact CB-CG 4.46Å; P139-L142 WeakPolarHBondContact O-CB 3.41Å; P139-L142 PolarHBondContact O-N 3.48Å; P139-V148 HydrophobicContact CB-CG2 4.43Å; P139-V148 HydrophobicContact CG-CG2 4.17Å
140E89.1Confident94.7Very high165 Ų16563.1 Ų63.177%0.77133%0.334SS*.G310 helixtrans-58-35.9179.1-67.7-171.9162.600112.1I138 L142 R143I138-E140 PolarHBondContact O-N 2.94Å; E140-L142 PolarHBondContact O-N 3.1Å; E140-R143 VanDerWaalsContact O-CB 3.29Å; E140-R143 WeakPolarHBondContact O-CB 3.34Å; E140-R143 PolarHBondContact O-N 3.31Å
141G90.6Very high94.8Very high26 Ų2663.1 Ų63.127%0.26833%0.334SS..G310 helixtrans-58.8-21.5177.900000114.3P139 R143 D144 N146P139-G141 PolarHBondContact O-N 3.05Å; G141-R143 VanDerWaalsContact C-N 3.27Å; G141-R143 PolarHBondContact O-N 2.84Å; G141-D144 PolarHBondContact O-N 3.06Å; G141-N146 WeakPolarHBondContact O-CB 3.48Å; G141-N146 PolarHBondContact O-N 2.75Å; G141-N146 PolarHBondContact O-ND2 3.03Å
142L92.3Very high94.9Very high0 Ų064.7 Ų64.70%034%0.341CS..G310 helixtrans-62.7-36.6171.5-70.9-179.3000111.5L55 I138 P139 E140 D144 G145 N146 V148 M170 F172L55-L142 HydrophobicContact CD1-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CD1 3.96Å; P139-L142 HydrophobicContact CB-CG 4.46Å; P139-L142 WeakPolarHBondContact O-CB 3.41Å; P139-L142 PolarHBondContact O-N 3.48Å; E140-L142 PolarHBondContact O-N 3.1Å; L142-D144 PolarHBondContact O-N 2.79Å; L142-G145 PolarHBondContact O-N 2.83Å; L142-N146 WeakPolarHBondContact CD2-O 3.37Å; L142-V148 HydrophobicContact CD2-CB 3.96Å; L142-V148 HydrophobicContact CD2-CG2 3.54Å; L142-V148 HydrophobicContact CG-CG2 3.97Å; L142-M170 HydrophobicContact CD1-CB 3.71Å; L142-M170 HydrophobicContact CD2-CB 4.2Å; L142-M170 WeakPolarHBondContact CD2-O 3.37Å; L142-F172 HydrophobicContact CB-CB 3.92Å; L142-F172 WeakPolarHBondContact O-CB 3.14Å
143R88.1Confident94.9Very high108 Ų10867 Ų6741%0.40836%0.357SS..THydrogen-bonded Turntrans-67-25-179.6-61.5179.3174.5-108.50.7112.3E140 G141 G145 F172E140-R143 VanDerWaalsContact O-CB 3.29Å; E140-R143 WeakPolarHBondContact O-CB 3.34Å; E140-R143 PolarHBondContact O-N 3.31Å; G141-R143 VanDerWaalsContact C-N 3.27Å; G141-R143 PolarHBondContact O-N 2.84Å; R143-G145 PolarHBondContact O-N 2.77Å; R143-F172 HydrophobicContact CB-CD1 4.32Å; R143-F172 HydrophobicContact CG-CD1 4.07Å; R143-F172 HydrophobicContact CG-CE1 4.17Å; R143-F172 HydrophobicContact CG-CG 4.43Å
144D89Confident94.9Very high132 Ų13264.2 Ų64.271%0.70635%0.347SS*.THydrogen-bonded Turntrans-80.71.5174.1-55.8-35.8000112.9G141 L142G141-D144 PolarHBondContact O-N 3.06Å; L142-D144 PolarHBondContact O-N 2.79Å
145G88.1Confident94.9Very high52 Ų5264.2 Ų64.254%0.53635%0.347SS..THydrogen-bonded Turntrans935.8-18000000114.6L142 R143L142-G145 PolarHBondContact O-N 2.83Å; R143-G145 PolarHBondContact O-N 2.77Å
146N94.2Very high94.9Very high93 Ų9359.2 Ų59.250%0.49733%0.326SS..  trans-69.5158.6173.4-59.4-56.4000111.2G141 L142G141-N146 WeakPolarHBondContact O-CB 3.48Å; G141-N146 PolarHBondContact O-N 2.75Å; G141-N146 PolarHBondContact O-ND2 3.03Å; L142-N146 WeakPolarHBondContact CD2-O 3.37Å
147V96.3Very high94.8Very high95 Ų9565.6 Ų65.658%0.57635%0.349SS*.EExtended strand (participates in β ladder)trans-112.4134.1173.3-178.60000108.2V169 M170V147-V169 HydrophobicContact CG1-CG1 3.65Å; V147-M170 WeakPolarHBondContact CA-O 3.28Å; V147-M170 WeakPolarHBondContact CG1-O 3.39Å
148V97.4Very high94.7Very high23 Ų2365.9 Ų65.914%0.13935%0.345CS..EExtended strand (participates in β ladder)trans-107.1126.9175.8171.90000107.9P139 L142 E150 V169 M170P139-V148 HydrophobicContact CB-CG2 4.43Å; P139-V148 HydrophobicContact CG-CG2 4.17Å; L142-V148 HydrophobicContact CD2-CB 3.96Å; L142-V148 HydrophobicContact CD2-CG2 3.54Å; L142-V148 HydrophobicContact CG-CG2 3.97Å; V148-E150 HydrophobicContact CG1-CB 4.24Å; V148-E150 HydrophobicContact CG1-CG 3.91Å; V148-V169 CarbonylContact O-C 3.59Å; V148-V169 WeakPolarHBondContact O-CA 3.1Å; V148-M170 HydrophobicContact CB-CE 4.34Å; V148-M170 HydrophobicContact CG1-CE 3.96Å; V148-M170 PolarHBondContact N-O 2.67Å; V148-M170 PolarHBondContact O-N 2.85Å
149D97.8Very high94.8Very high101 Ų10166.5 Ų66.554%0.5435%0.354SS..EExtended strand (participates in β ladder)trans-128.4100.6171.41777.5000108.2N167 V169D149-N167 PolarHBondContact OD1-ND2 3.38Å; D149-V169 HydrophobicContact CB-CG1 4.34Å; D149-V169 HydrophobicContact CB-CG2 3.96Å
150E97.9Very high95Very high107 Ų10770.4 Ų70.450%0.537%0.373SS..EExtended strand (participates in β ladder)trans-142163.7-171.2-70.6-168.5137.400112.6V148 F152 N167 L168V148-E150 HydrophobicContact CG1-CB 4.24Å; V148-E150 HydrophobicContact CG1-CG 3.91Å; E150-F152 HydrophobicContact CB-CE2 3.94Å; E150-F152 HydrophobicContact CB-CZ 4.15Å; E150-N167 WeakPolarHBondContact O-CA 3.33Å; E150-N167 PolarHBondContact O-ND2 2.87Å; E150-L168 PolarHBondContact N-O 3.46Å; E150-L168 VanDerWaalsContact N-O 3.16Å; E150-L168 PolarHBondContact O-N 3.03Å
151W98.5Very high95.4Very high96 Ų9667.3 Ų67.336%0.36436%0.362SS..EExtended strand (participates in β ladder)trans-99.4125.6170.9-73.186000109.8Q61 K63 M165 I166 N167Q61-W151 HydrophobicContact CG-CH2 3.72Å; Q61-W151 HydrophobicContact CG-CZ2 4.25Å; Q61-W151 HydrophobicContact CG-CZ3 4.5Å; K63-W151 HydrophobicContact CB-CZ3 4.4Å; K63-W151 HydrophobicContact CD-CH2 3.96Å; K63-W151 HydrophobicContact CD-CZ3 4.22Å; K63-W151 HydrophobicContact CG-CH2 3.97Å; K63-W151 HydrophobicContact CG-CZ3 4.06Å; W151-M165 HydrophobicContact CB-CB 4.49Å; W151-M165 HydrophobicContact CB-SD 4.38Å; W151-M165 HydrophobicContact CE3-CB 3.67Å; W151-M165 HydrophobicContact CZ3-CB 4.35Å; W151-I166 CarbonylContact C-O 3.55Å; W151-I166 WeakPolarHBondContact CA-O 3.26Å; W151-N167 HydrophobicContact CD2-CB 3.75Å; W151-N167 HydrophobicContact CE3-CB 3.84Å; W151-N167 HydrophobicContact CG-CB 4.41Å; W151-N167 HydrophobicContact CH2-CB 3.91Å; W151-N167 HydrophobicContact CZ2-CB 3.79Å; W151-N167 HydrophobicContact CZ3-CB 3.92Å
152F98.5Very high95.8Very high34 Ų3472.8 Ų72.815%0.14938%0.378CS..EExtended strand (participates in β ladder)trans-106.1131.8177.6-63.6-91000109.7V136 E150 M165 I166 L168 M170V136-F152 HydrophobicContact CG1-CD1 4.06Å; V136-F152 HydrophobicContact CG1-CE1 3.64Å; V136-F152 HydrophobicContact CG1-CZ 4.01Å; V136-F152 HydrophobicContact CG2-CD1 3.88Å; V136-F152 HydrophobicContact CG2-CE1 4.32Å; V136-F152 HydrophobicContact CG2-CG 4.13Å; E150-F152 HydrophobicContact CB-CE2 3.94Å; E150-F152 HydrophobicContact CB-CZ 4.15Å; F152-M165 CarbonylContact O-C 3.43Å; F152-M165 WeakPolarHBondContact O-CA 3.37Å; F152-I166 HydrophobicContact CB-CG2 4.02Å; F152-I166 PolarHBondContact N-O 3.35Å; F152-I166 PolarHBondContact O-N 3.34Å; F152-L168 HydrophobicContact CD2-CB 4.06Å; F152-L168 HydrophobicContact CD2-CD1 3.79Å; F152-L168 HydrophobicContact CD2-CG 3.95Å; F152-L168 HydrophobicContact CE2-CB 3.92Å; F152-L168 HydrophobicContact CE2-CD1 4.1Å; F152-L168 HydrophobicContact CE2-CG 4.28Å; F152-L168 HydrophobicContact CG-CD1 4.44Å; F152-M170 HydrophobicContact CE2-CE 4.08Å; F152-M170 HydrophobicContact CZ-CE 3.66Å
153S98.6Very high96Very high49 Ų4972.9 Ų72.934%0.34338%0.378SS..EExtended strand (participates in β ladder)trans-63.9144.2174.6-64.90000111.4T134 D161T134-S153 WeakPolarHBondContact CB-O 3.27Å; T134-S153 PolarHBondContact OG1-O 3.45Å; S153-D161 WeakPolarHBondContact CB-OD1 3.47Å
154L98.7Very high96.5Very high0 Ų068.6 Ų68.60%037%0.368CS..EExtended strand (participates in β ladder)trans-110.8131.6178.2-66.9169.8000110L64 I119 A132 T134 D161 K162 E163 G164 I166L64-L154 HydrophobicContact CD2-CD1 3.71Å; I119-L154 HydrophobicContact CD1-CD1 3.64Å; I119-L154 HydrophobicContact CD1-CD2 3.99Å; A132-L154 HydrophobicContact CB-CB 4.15Å; A132-L154 HydrophobicContact CB-CD1 4.16Å; A132-L154 HydrophobicContact CB-CD2 4.38Å; A132-L154 HydrophobicContact CB-CG 4.48Å; T134-L154 HydrophobicContact CG2-CD2 3.95Å; L154-D161 CarbonylContact O-C 3.5Å; L154-D161 VanDerWaalsContact O-C 3.29Å; L154-D161 VanDerWaalsContact O-CA 3.31Å; L154-D161 WeakPolarHBondContact O-CA 3.17Å; L154-K162 PolarHBondContact O-N 2.91Å; L154-E163 HydrophobicContact CB-CB 4.07Å; L154-E163 WeakPolarHBondContact O-CA 3.06Å; L154-E163 WeakPolarHBondContact O-CB 3.49Å; L154-E163 PolarHBondContact O-N 2.88Å; L154-G164 PolarHBondContact N-O 2.96Å; L154-I166 HydrophobicContact CD1-CB 4.21Å; L154-I166 HydrophobicContact CD2-CB 4.17Å; L154-I166 HydrophobicContact CD2-CG2 3.81Å; L154-I166 HydrophobicContact CG-CB 4.32Å; L154-I166 HydrophobicContact CG-CG2 4.26Å
155S98.6Very high97Very high13 Ų1366.1 Ų66.19%0.09135%0.353CS..EExtended strand (participates in β ladder)trans-95.3155.9169.1-63.80000110.1A132 W133 D160 D161A132-S155 CarbonylContact C-O 3.29Å; A132-S155 WeakPolarHBondContact CA-O 3.27Å; W133-S155 PolarHBondContact N-O 2.79Å; W133-S155 PolarHBondContact O-N 3.07Å; S155-D160 WeakPolarHBondContact OG-CA 3.31Å; S155-D161 PolarHBondContact OG-N 3Å
156G97Very high97.5Very high7 Ų763.6 Ų63.67%0.07233%0.327CS..EExtended strand (participates in β ladder)trans-172-159.1-172.700000113.7W133 Q158 G159 E163W133-G156 VanDerWaalsContact CH2-CA 3.44Å; W133-G156 VanDerWaalsContact CZ3-CA 3.47Å; G156-Q158 PolarHBondContact O-N 2.92Å; G156-G159 PolarHBondContact N-O 3.16Å; G156-G159 PolarHBondContact O-N 3.14Å; G156-G159 VanDerWaalsContact O-N 3.1Å; G156-E163 VanDerWaalsContact CA-OE2 3.3Å; G156-E163 WeakPolarHBondContact CA-OE2 3.25Å
157R95.6Very high97.7Very high136 Ų13659.8 Ų59.851%0.51331%0.307SS..THydrogen-bonded Turntrans-67-22.2177.3-59.9-178.5-170.4178.35.4111.8Y68 D129 G159 E163Y68-R157 HydrophobicContact CE1-CB 4.44Å; D129-R157 VanDerWaalsContact CG-NH2 3.33Å; D129-R157 IonicContact OD2-CZ 2.75Å; D129-R157 IonicContact OD2-NH1 3.56Å; D129-R157 IonicContact OD2-NH2 3.76Å; D129-R157 PolarHBondContact OD2-NH2 3.03Å; R157-G159 PolarHBondContact O-N 3.05Å; R157-E163 PolarHBondContact N-OE2 2.94Å
158Q95.6Very high97.8Very high92 Ų9255.2 Ų55.243%0.4328%0.279SS..THydrogen-bonded Turntrans-77.6-9.3174.9-62-71.7107.400113.3Y68 G156 K162 E163Y68-Q158 WeakPolarHBondContact OH-CG 3.41Å; G156-Q158 PolarHBondContact O-N 2.92Å; Q158-K162 HydrophobicContact CB-CB 4.02Å; Q158-K162 WeakPolarHBondContact O-CD 3.48Å; Q158-E163 WeakPolarHBondContact CB-OE2 3.15Å; Q158-E163 VanDerWaalsContact CG-OE2 3.32Å; Q158-E163 WeakPolarHBondContact CG-OE2 3.2Å; Q158-E163 PolarHBondContact N-OE2 2.88Å
159G95.9Very high97.8Very high25 Ų2555.8 Ų55.826%0.25828%0.282SS..EExtended strand (participates in β ladder)trans111.9-177.2-176.900000112.7G156 R157 K162G156-G159 PolarHBondContact N-O 3.16Å; G156-G159 PolarHBondContact O-N 3.14Å; G156-G159 VanDerWaalsContact O-N 3.1Å; R157-G159 PolarHBondContact O-N 3.05Å; G159-K162 PolarHBondContact O-N 2.61Å
160D97.4Very high97.9Very high124 Ų12451 Ų5166%0.66326%0.257SS*.EExtended strand (participates in β ladder)trans-67.2133.2-177.1-57.9-33.7000111.3S155 K162S155-D160 WeakPolarHBondContact OG-CA 3.31Å; D160-K162 WeakPolarHBondContact O-CG 3.4Å; D160-K162 PolarHBondContact O-N 3.27Å
161D97.8Very high97.8Very high101 Ų10148.1 Ų48.154%0.5425%0.248SC..EExtended strand (participates in β ladder)trans54.118.6-179.2-58.9-42000115.2S153 L154 S155S153-D161 WeakPolarHBondContact CB-OD1 3.47Å; L154-D161 CarbonylContact O-C 3.5Å; L154-D161 VanDerWaalsContact O-C 3.29Å; L154-D161 VanDerWaalsContact O-CA 3.31Å; L154-D161 WeakPolarHBondContact O-CA 3.17Å; S155-D161 PolarHBondContact OG-N 3Å
162K97.9Very high97.7Very high140 Ų14044.3 Ų44.361%0.60924%0.235SC*.EExtended strand (participates in β ladder)trans-108.6-1.7-175.5-75.7170.9-173.5178.90114A65 L154 Q158 G159 D160 G164A65-K162 VanDerWaalsContact CB-O 3.24Å; A65-K162 WeakPolarHBondContact CB-O 3.22Å; L154-K162 PolarHBondContact O-N 2.91Å; Q158-K162 HydrophobicContact CB-CB 4.02Å; Q158-K162 WeakPolarHBondContact O-CD 3.48Å; G159-K162 PolarHBondContact O-N 2.61Å; D160-K162 WeakPolarHBondContact O-CG 3.4Å; D160-K162 PolarHBondContact O-N 3.27Å; K162-G164 VanDerWaalsContact C-N 3.3Å
163E97.9Very high97.4Very high2 Ų245.4 Ų45.41%0.00925%0.25CC..EExtended strand (participates in β ladder)trans-90.81.1-177.3-149.761.7-121.900112.7L64 A65 Y68 I131 A132 L154 G156 R157 Q158L64-E163 WeakPolarHBondContact CA-O 3.43Å; A65-E163 PolarHBondContact N-O 3.18Å; Y68-E163 WeakPolarHBondContact CE2-OE1 3.42Å; Y68-E163 VanDerWaalsContact CZ-OE1 3.25Å; Y68-E163 PolarHBondContact OH-OE1 2.9Å; Y68-E163 PolarHBondContact OH-OE2 2.79Å; Y68-E163 VanDerWaalsContact OH-OE2 3.06Å; I131-E163 WeakPolarHBondContact O-CG 3.27Å; A132-E163 HydrophobicContact CB-CB 4.14Å; A132-E163 HydrophobicContact CB-CG 3.64Å; L154-E163 HydrophobicContact CB-CB 4.07Å; L154-E163 WeakPolarHBondContact O-CA 3.06Å; L154-E163 WeakPolarHBondContact O-CB 3.49Å; L154-E163 PolarHBondContact O-N 2.88Å; G156-E163 VanDerWaalsContact CA-OE2 3.3Å; G156-E163 WeakPolarHBondContact CA-OE2 3.25Å; R157-E163 PolarHBondContact N-OE2 2.94Å; Q158-E163 WeakPolarHBondContact CB-OE2 3.15Å; Q158-E163 VanDerWaalsContact CG-OE2 3.32Å; Q158-E163 WeakPolarHBondContact CG-OE2 3.2Å; Q158-E163 PolarHBondContact N-OE2 2.88Å
164G98.1Very high96.7Very high18 Ų1847 Ų4719%0.18626%0.261CS..EExtended strand (participates in β ladder)trans112.9-149.8177.700000112K63 L154 K162K63-G164 CarbonylContact O-C 3.55Å; K63-G164 WeakPolarHBondContact O-CA 3.32Å; L154-G164 PolarHBondContact N-O 2.96Å; K162-G164 VanDerWaalsContact C-N 3.3Å
165M98.6Very high95.4Very high80 Ų8050.7 Ų50.739%0.39428%0.28SS..EExtended strand (participates in β ladder)trans-142.9152.2-178.4-56.8-177.3-7000111.8A62 K63 W151 F152A62-M165 CarbonylContact C-O 3.56Å; A62-M165 WeakPolarHBondContact CA-O 3.12Å; K63-M165 PolarHBondContact N-O 2.97Å; K63-M165 PolarHBondContact O-N 3.21Å; W151-M165 HydrophobicContact CB-CB 4.49Å; W151-M165 HydrophobicContact CB-SD 4.38Å; W151-M165 HydrophobicContact CE3-CB 3.67Å; W151-M165 HydrophobicContact CZ3-CB 4.35Å; F152-M165 CarbonylContact O-C 3.43Å; F152-M165 WeakPolarHBondContact O-CA 3.37Å
166I98.8Very high93.6Very high0 Ų054.2 Ų54.20%030%0.303CS..EExtended strand (participates in β ladder)trans-120.5137.6174.2-170.2167.1000110.7V59 A62 W100 L117 I119 T134 W151 F152 L154 L168V59-I166 HydrophobicContact CG1-CD1 4.01Å; A62-I166 HydrophobicContact CB-CB 4.29Å; A62-I166 HydrophobicContact CB-CG1 4.2Å; W100-I166 HydrophobicContact CZ3-CD1 4.46Å; L117-I166 HydrophobicContact CD1-CD1 3.83Å; L117-I166 HydrophobicContact CD2-CD1 3.74Å; L117-I166 HydrophobicContact CG-CD1 4.47Å; I119-I166 HydrophobicContact CD1-CD1 4.11Å; T134-I166 HydrophobicContact CG2-CG2 4.28Å; W151-I166 CarbonylContact C-O 3.55Å; W151-I166 WeakPolarHBondContact CA-O 3.26Å; F152-I166 HydrophobicContact CB-CG2 4.02Å; F152-I166 PolarHBondContact N-O 3.35Å; F152-I166 PolarHBondContact O-N 3.34Å; L154-I166 HydrophobicContact CD1-CB 4.21Å; L154-I166 HydrophobicContact CD2-CB 4.17Å; L154-I166 HydrophobicContact CD2-CG2 3.81Å; L154-I166 HydrophobicContact CG-CB 4.32Å; L154-I166 HydrophobicContact CG-CG2 4.26Å; I166-L168 HydrophobicContact CD1-CD2 4.04Å; I166-L168 HydrophobicContact CG1-CD2 4.01Å; I166-L168 HydrophobicContact CG1-CG 4.49Å; I166-L168 HydrophobicContact CG2-CG 4.37Å
167N98.8Very high91.8Very high12 Ų1258.3 Ų58.36%0.06434%0.336CS..EExtended strand (participates in β ladder)trans-97.5123.3176.4176.7-130.4000110.4V60 Q61 D149 E150 W151V60-N167 HydrophobicContact CB-CB 4.33Å; V60-N167 VanDerWaalsContact CB-OD1 3.3Å; V60-N167 WeakPolarHBondContact CB-OD1 3.26Å; V60-N167 WeakPolarHBondContact CG1-OD1 3.13Å; V60-N167 WeakPolarHBondContact CG2-OD1 3.4Å; V60-N167 PolarHBondContact N-O 3.45Å; V60-N167 VanDerWaalsContact N-O 3.13Å; Q61-N167 HydrophobicContact CG-CB 4.13Å; Q61-N167 PolarHBondContact O-N 2.94Å; D149-N167 PolarHBondContact OD1-ND2 3.38Å; E150-N167 WeakPolarHBondContact O-CA 3.33Å; E150-N167 PolarHBondContact O-ND2 2.87Å; W151-N167 HydrophobicContact CD2-CB 3.75Å; W151-N167 HydrophobicContact CE3-CB 3.84Å; W151-N167 HydrophobicContact CG-CB 4.41Å; W151-N167 HydrophobicContact CH2-CB 3.91Å; W151-N167 HydrophobicContact CZ2-CB 3.79Å; W151-N167 HydrophobicContact CZ3-CB 3.92Å
168L98.6Very high89.6Confident0 Ų056.2 Ų56.20%035%0.348CS..EExtended strand (participates in β ladder)trans-124.3135-179.3-55.8178.3000109.6I57 T58 V59 F115 L117 V136 E150 F152 I166I57-L168 HydrophobicContact CG2-CD2 4.39Å; T58-L168 WeakPolarHBondContact O-CA 3.28Å; V59-L168 HydrophobicContact CB-CD2 4.42Å; V59-L168 HydrophobicContact CG1-CD2 4.31Å; V59-L168 HydrophobicContact CG2-CD2 4.18Å; F115-L168 HydrophobicContact CE2-CD1 4.23Å; F115-L168 HydrophobicContact CZ-CD1 4.02Å; L117-L168 HydrophobicContact CD1-CD1 4.15Å; L117-L168 HydrophobicContact CD1-CD2 4Å; V136-L168 HydrophobicContact CG2-CD1 4.24Å; E150-L168 PolarHBondContact N-O 3.46Å; E150-L168 VanDerWaalsContact N-O 3.16Å; E150-L168 PolarHBondContact O-N 3.03Å; F152-L168 HydrophobicContact CD2-CB 4.06Å; F152-L168 HydrophobicContact CD2-CD1 3.79Å; F152-L168 HydrophobicContact CD2-CG 3.95Å; F152-L168 HydrophobicContact CE2-CB 3.92Å; F152-L168 HydrophobicContact CE2-CD1 4.1Å; F152-L168 HydrophobicContact CE2-CG 4.28Å; F152-L168 HydrophobicContact CG-CD1 4.44Å; I166-L168 HydrophobicContact CD1-CD2 4.04Å; I166-L168 HydrophobicContact CG1-CD2 4.01Å; I166-L168 HydrophobicContact CG1-CG 4.49Å; I166-L168 HydrophobicContact CG2-CG 4.37Å
169V98.4Very high87.2Confident34 Ų3459.3 Ų59.321%0.20636%0.364CS..EExtended strand (participates in β ladder)trans-109.4120.7167.3-172.10000109T58 V60 V147 V148 D149T58-V169 WeakPolarHBondContact CB-O 3.02Å; T58-V169 PolarHBondContact N-O 2.86Å; T58-V169 PolarHBondContact O-N 3.18Å; T58-V169 PolarHBondContact OG1-O 2.96Å; V60-V169 HydrophobicContact CG2-CG2 3.83Å; V147-V169 HydrophobicContact CG1-CG1 3.65Å; V148-V169 CarbonylContact O-C 3.59Å; V148-V169 WeakPolarHBondContact O-CA 3.1Å; D149-V169 HydrophobicContact CB-CG1 4.34Å; D149-V169 HydrophobicContact CB-CG2 3.96Å
170M98Very high84.9Confident1 Ų164.4 Ų64.41%0.00538%0.383CS..EExtended strand (participates in β ladder)trans-120.8140.5-174.8-61.9-177.9-71.100111.6L55 S56 I57 F115 V136 L142 V147 V148 F152L55-M170 HydrophobicContact CD1-CB 4.49Å; S56-M170 VanDerWaalsContact O-CA 3.32Å; S56-M170 WeakPolarHBondContact O-CA 3.42Å; I57-M170 HydrophobicContact CG1-CG 4.47Å; I57-M170 HydrophobicContact CG2-CG 4.33Å; F115-M170 HydrophobicContact CE1-SD 3.66Å; F115-M170 HydrophobicContact CZ-SD 3.77Å; V136-M170 HydrophobicContact CG1-CE 4.12Å; V136-M170 HydrophobicContact CG1-SD 4.34Å; L142-M170 HydrophobicContact CD1-CB 3.71Å; L142-M170 HydrophobicContact CD2-CB 4.2Å; L142-M170 WeakPolarHBondContact CD2-O 3.37Å; V147-M170 WeakPolarHBondContact CA-O 3.28Å; V147-M170 WeakPolarHBondContact CG1-O 3.39Å; V148-M170 HydrophobicContact CB-CE 4.34Å; V148-M170 HydrophobicContact CG1-CE 3.96Å; V148-M170 PolarHBondContact N-O 2.67Å; V148-M170 PolarHBondContact O-N 2.85Å; F152-M170 HydrophobicContact CE2-CE 4.08Å; F152-M170 HydrophobicContact CZ-CE 3.66Å
171S96.9Very high82.4Confident46 Ų4664.6 Ų64.632%0.32239%0.389SS..EExtended strand (participates in β ladder)trans-143.6149.8170.765.60000110.3S56S56-S171 PolarHBondContact N-O 3.21Å; S56-S171 PolarHBondContact O-N 2.73Å
172F95.6Very high79.9Confident17 Ų1767.6 Ų67.68%0.07540%0.4CS..EExtended strand (participates in β ladder)trans-124.1136.8-179.4-177.2-87.3000111.3V52 R54 L55 V108 L142 R143V52-F172 HydrophobicContact CG2-CZ 4.33Å; R54-F172 WeakPolarHBondContact O-CA 3.27Å; L55-F172 HydrophobicContact CB-CD2 4.19Å; L55-F172 HydrophobicContact CD1-CB 4.42Å; L55-F172 HydrophobicContact CD1-CD2 4.43Å; V108-F172 HydrophobicContact CB-CE2 4.1Å; V108-F172 HydrophobicContact CG2-CD2 4.17Å; V108-F172 HydrophobicContact CG2-CE2 3.66Å; L142-F172 HydrophobicContact CB-CB 3.92Å; L142-F172 WeakPolarHBondContact O-CB 3.14Å; R143-F172 HydrophobicContact CB-CD1 4.32Å; R143-F172 HydrophobicContact CG-CD1 4.07Å; R143-F172 HydrophobicContact CG-CE1 4.17Å; R143-F172 HydrophobicContact CG-CG 4.43Å
173A92.4Very high77.3Confident56 Ų5666.3 Ų66.346%0.46341%0.405SS..EExtended strand (participates in β ladder)trans-118.1113.9172.700000109.1G53 R54 L175G53-A173 CarbonylContact C-O 3.57Å; G53-A173 VanDerWaalsContact CA-O 3.31Å; G53-A173 WeakPolarHBondContact CA-O 3.34Å; R54-A173 PolarHBondContact N-O 2.82Å; R54-A173 PolarHBondContact O-N 2.99Å; A173-L175 PolarHBondContact O-N 3.22Å
174S83.8Confident75.3Confident82 Ų8270.6 Ų70.657%0.57343%0.432SS*.EExtended strand (participates in β ladder)trans-66.5130.8173.4-169.60000109.5
175L72.7Confident73.1Confident78 Ų7873.9 Ų73.941%0.40845%0.448SS..PPolyproline II helixtrans-86.3122170.6-70.5170.1000107.7T51 A173 A177T51-L175 HydrophobicContact CG2-CD1 3.8Å; A173-L175 PolarHBondContact O-N 3.22Å; L175-A177 PolarHBondContact O-N 2.65Å
176P60.8Low71Confident87 Ų8774.6 Ų74.657%0.56545%0.453SS*.PPolyproline II helixtrans-64.4131.4177.623.7-30000109.5A178P176-A178 PolarHBondContact O-N 3.02Å
177A57.3Low68.3Low93 Ų9380 Ų8077%0.76948%0.479SS*.G310 helixtrans-58.9-6.6177.800000114.2L175 M179L175-A177 PolarHBondContact O-N 2.65Å; A177-M179 VanDerWaalsContact C-N 3.33Å; A177-M179 PolarHBondContact O-N 3.23Å
178A49.8Very low65.5Low93 Ų9383.1 Ų83.177%0.76950%0.5SS*.G310 helixtrans-80.4-0.3-174.200000115.5P176P176-A178 PolarHBondContact O-N 3.02Å
179M46.1Very low63.3Low156 Ų15684.5 Ų84.577%0.76851%0.51SS*.G310 helixtrans-119.530.1178.5-56.6-166.8-176.300113.4A177 T181A177-M179 VanDerWaalsContact C-N 3.33Å; A177-M179 PolarHBondContact O-N 3.23Å; M179-T181 PolarHBondContact O-N 3.21Å
180M46.5Very low60.6Low133 Ų13388.9 Ų88.966%0.65554%0.536SS*.  trans-67.386.4153.7-70.3-165-177.700107.1N50 Q182N50-M180 WeakPolarHBondContact OD1-CE 3.31Å; M180-Q182 PolarHBondContact O-N 3.44Å
181T45.8Very low58.1Low127 Ų12795.8 Ų95.878%0.77956%0.564SS**  trans-53.1108.5168.148.90000106.8M179M179-T181 PolarHBondContact O-N 3.21Å
182Q44.8Very low55.8Low165 Ų165103 Ų10377%0.77159%0.592SS**  trans-58.4133.2168.9-66.4-148.69.500107.4M180 V184M180-Q182 PolarHBondContact O-N 3.44Å; Q182-V184 PolarHBondContact O-N 2.78Å
183P44.2Very low53.5Low113 Ų113112.3 Ų112.373%0.73464%0.636SS**  trans-59.3115.5176.223.4-30.8000107.8V185P183-V185 PolarHBondContact O-N 3.26Å
184V55.2Low51.7Low92 Ų92111.7 Ų111.756%0.55864%0.635SS**  trans-69.2106.3173.5176.60000106.5Q182 L186 P199Q182-V184 PolarHBondContact O-N 2.78Å; V184-L186 HydrophobicContact CG1-CD2 4.41Å; V184-L186 PolarHBondContact O-N 2.68Å; V184-P199 HydrophobicContact CG1-CB 3.56Å
185V51.7Low49.6Very low87 Ų87112.7 Ų112.753%0.52764%0.637SS.*  trans-78.5108.5175-168.80000107.4P183 M187P183-V185 PolarHBondContact O-N 3.26Å; V185-M187 HydrophobicContact CG1-CE 4.17Å; V185-M187 PolarHBondContact O-N 2.97Å
186L54.2Low48.6Very low94 Ų94110.4 Ų110.449%0.49263%0.633SS.*EExtended strand (participates in β ladder)trans-78.9107.6170-66.5170.8000107.8V184 Y197 P199V184-L186 HydrophobicContact CG1-CD2 4.41Å; V184-L186 PolarHBondContact O-N 2.68Å; L186-Y197 HydrophobicContact CB-CD1 4.28Å; L186-P199 HydrophobicContact CD2-CB 4.2Å
187M41.9Very low47.9Very low113 Ų113114 Ų11456%0.55764%0.636SS**EExtended strand (participates in β ladder)trans-90.7129169.2-86.9-75.714100109.1V185 S189V185-M187 HydrophobicContact CG1-CE 4.17Å; V185-M187 PolarHBondContact O-N 2.97Å; M187-S189 PolarHBondContact O-N 3.32Å; M187-S189 VanDerWaalsContact O-N 3.16Å
188P40.6Very low47.6Very low78 Ų78112.2 Ų112.251%0.50662%0.616SS.*EExtended strand (participates in β ladder)trans-71.6109.2172.827.2-29.8000108.9
189S52Low47.3Very low30 Ų30112.1 Ų112.121%0.2161%0.607CS.*EExtended strand (participates in β ladder)trans-94.1123.6169.144.70000109.3M187 Y191 G196M187-S189 PolarHBondContact O-N 3.32Å; M187-S189 VanDerWaalsContact O-N 3.16Å; S189-Y191 PolarHBondContact O-N 2.86Å; S189-Y191 WeakPolarHBondContact OG-CE2 3.48Å; S189-G196 PolarHBondContact OG-O 2.5Å
190V42.1Very low47.5Very low125 Ų125110 Ų11076%0.75860%0.598SS**EExtended strand (participates in β ladder)trans-83.9105.4174.8-1760000107.9
191Y46.6Very low47.6Very low147 Ų147107.7 Ų107.758%0.57660%0.599SS**EExtended strand (participates in β ladder)trans-90.5138.1163.2-65.9-81.2000107.9S189 E193 G194S189-Y191 PolarHBondContact O-N 2.86Å; S189-Y191 WeakPolarHBondContact OG-CE2 3.48Å; Y191-E193 PolarHBondContact O-N 3.47Å; Y191-E193 VanDerWaalsContact O-N 3.07Å; Y191-G194 PolarHBondContact N-O 3.16Å; Y191-G194 PolarHBondContact O-N 3.39Å
192Q48.3Very low47.5Very low198 Ų198104.9 Ų104.993%0.92560%0.596SS**THydrogen-bonded Turntrans-56.6116.8174.1-130.2173.32.800107.5
193E46.3Very low47.3Very low211 Ų211108.7 Ų108.799%0.98660%0.603SS**THydrogen-bonded Turntrans83.523.6-170.7-52.7-142.7145.700118.9Y191Y191-E193 PolarHBondContact O-N 3.47Å; Y191-E193 VanDerWaalsContact O-N 3.07Å
194G54.4Low46.8Very low43 Ų43109.9 Ų109.944%0.44361%0.608SS.*EExtended strand (participates in β ladder)trans162.4141.5160.800000115.3Y191 G196Y191-G194 PolarHBondContact N-O 3.16Å; Y191-G194 PolarHBondContact O-N 3.39Å; G194-G196 PolarHBondContact O-N 2.93Å
195V39.9Very low45.9Very low104 Ų104111.6 Ų111.663%0.6362%0.621SS**EExtended strand (participates in β ladder)trans-81.3113.4174.7-164.70000108.6
196G51.9Low45.3Very low30 Ų30110.4 Ų110.431%0.30963%0.627SS.*EExtended strand (participates in β ladder)trans-117.1137.7175.200000111.1S189 G194S189-G196 PolarHBondContact OG-O 2.5Å; G194-G196 PolarHBondContact O-N 2.93Å
197Y46.3Very low44.2Very low161 Ų161111.6 Ų111.663%0.63164%0.637SS**EExtended strand (participates in β ladder)trans-89.4123172.9-65.5-83000109.6L186L186-Y197 HydrophobicContact CB-CD1 4.28Å
198V51.1Low43.8Very low57 Ų57115.8 Ų115.835%0.34565%0.648SS.*EExtended strand (participates in β ladder)trans-112.2127.4172.8-72.90000110.4I200V198-I200 PolarHBondContact O-N 3.04Å
199P44.3Very low43.4Very low90 Ų90119.8 Ų119.858%0.58467%0.665SS**EExtended strand (participates in β ladder)trans-73.911317228.9-31.1000109.1V184 L186 A201V184-P199 HydrophobicContact CG1-CB 3.56Å; L186-P199 HydrophobicContact CD2-CB 4.2Å; P199-A201 PolarHBondContact O-N 3.34Å
200I49.1Very low42.4Very low113 Ų113127.2 Ų127.258%0.57970%0.697SS**  trans-88.396.5172.1-65.4177.8000107.8V198V198-I200 PolarHBondContact O-N 3.04Å
201A49.1Very low42Very low83 Ų83124.7 Ų124.769%0.68670%0.696SS**  trans-79.6135.716400000109.4P199 R203P199-A201 PolarHBondContact O-N 3.34Å; A201-R203 PolarHBondContact O-N 2.89Å
202G44.7Very low41.5Very low68 Ų68124.8 Ų124.870%0.70171%0.711SS**  trans-51.6124.1177.400000112.2
203R39.8Very low40.9Very low245 Ų245122 Ų12293%0.92571%0.708SS**  trans-20.4120.4177.2-68.8-179.5176.6-145.10.2116.7A201A201-R203 PolarHBondContact O-N 2.89Å
204V34.5Very low40.6Very low138 Ų138118 Ų11884%0.83670%0.7SS**  trans-134.5124.8143.8-92.30000108.1
205P35.4Very low39.7Very low129 Ų129124.9 Ų124.984%0.83872%0.723SS**  trans-87.4126.7-176.332.1-29.9000112
206G38.9Very low39.7Very low62 Ų62124.3 Ų124.364%0.63973%0.729SS**  trans80.1126.9144.800000117.7
207V30.2Very low38.9Very low118 Ų118129.5 Ų129.572%0.71576%0.755SS**  165105.7119.41660000108
208Y33.8Very low38.5Very low201 Ų201127.6 Ų127.679%0.78876%0.762SS**  trans1.3131.3153.4-9.5-83.9000118.4
209N32.6Very low37.7Very low162 Ų162130.2 Ų130.287%0.86678%0.783SS**  -156142.7118.9-139.3-0.3000114.2
210Q31.3Very low37.3Very low187 Ų187131.3 Ų131.387%0.87479%0.793SS**  trans-80.3150.2-176.6-72.6167.9-7900113
211G34Very low36.7Very low71 Ų71134.3 Ų134.373%0.73281%0.806SS**  106.895.5127.900000117.3
212V34.8Very low36.2Very low149 Ų149136.4 Ų136.490%0.90381%0.813SS**  trans-152.2129.1135.4-81.30000109
213V36.9Very low35.7Very low140 Ų140137.5 Ų137.585%0.84882%0.816SS**PPolyproline II helixtrans-80.3146.5177.5-73.80000110.9
214P38.9Very low35.8Very low128 Ų128135.1 Ų135.183%0.83182%0.817SS**PPolyproline II helixtrans-88.9134-178.832.2-27.3000111.9
215M35.8Very low35.7Very low186 Ų186132.1 Ų132.192%0.91681%0.814SS**PPolyproline II helixtrans-86126.8169.4-95.1-73.8-106.500110.4
216A41Very low36.1Very low92 Ų92129.7 Ų129.776%0.7681%0.812SS**PPolyproline II helixtrans-78.3146.717500000111.8
217V35.1Very low35.7Very low140 Ų140134.7 Ų134.785%0.84882%0.819SS**  trans-141.8149.5159.9-104.40000108.4
218P37.9Very low35.9Very low120 Ų120131.8 Ų131.878%0.77981%0.813SS**  trans-88.9155.2-144.20.418000114.3
219S34.1Very low36.5Very low112 Ų112128.6 Ų128.678%0.78382%0.817SS**  trans-55.8129.6172.146.50000114.9
220S36.4Very low37Very low114 Ų114125.6 Ų125.680%0.79780%0.804SS**  trans-125.799.6143.758.50000108.2
221M36.1Very low37.9Very low175 Ų175119.2 Ų119.286%0.86278%0.779SS**  trans-70.3147.4165.4-66.4-158.4-173.200109.6
222P38.1Very low39.1Very low127 Ų127117.9 Ų117.983%0.82576%0.759SS**  -106.8152.1124.7-1027.9000110.9
223A34.4Very low40.5Very low92 Ų92118 Ų11876%0.7675%0.75SS**  trans-63.8149.3-169.700000114.4G225A223-G225 PolarHBondContact O-N 3.3Å
224M41.5Very low41.9Very low195 Ų195118.9 Ų118.996%0.96175%0.745SS**  trans-12116.6149.6-94.916960.900115.4
225G32.1Very low43.5Very low74 Ų74114.9 Ų114.976%0.76372%0.716SS**  trans-140.696.5148.900000106.8A223 Q227A223-G225 PolarHBondContact O-N 3.3Å; G225-Q227 PolarHBondContact O-N 3.29Å
226G43.3Very low45.4Very low78 Ų78107.5 Ų107.580%0.80468%0.68SS**  trans-69.2122.1174.400000109.8
227Q30.6Very low47Very low168 Ų168106.9 Ų106.979%0.78566%0.662SS**  trans-142.8110.5155.1-73.5-172.6-24.800106.2G225 V230G225-Q227 PolarHBondContact O-N 3.29Å; Q227-V230 HydrophobicContact CB-CG2 4.24Å; Q227-V230 HydrophobicContact CG-CG2 4.33Å
228G36Very low49.1Very low57 Ų57101.7 Ų101.759%0.58863%0.634SS**  trans-56.5168.4153.200000108.9V230G228-V230 VanDerWaalsContact C-N 3.32Å; G228-V230 WeakPolarHBondContact O-CG2 3.33Å; G228-V230 PolarHBondContact O-N 3.48Å
229P44.7Very low51Low134 Ų13496 Ų9687%0.8760%0.597SS**  trans-57.9103.1175.7-11.325.1000107.4C231P229-C231 PolarHBondContact O-N 3.41Å
230V44.1Very low53.1Low98 Ų9891.9 Ų91.959%0.59457%0.565SS**  trans-72.5113.1172.6179.80000103.1Q227 G228 S232Q227-V230 HydrophobicContact CB-CG2 4.24Å; Q227-V230 HydrophobicContact CG-CG2 4.33Å; G228-V230 VanDerWaalsContact C-N 3.32Å; G228-V230 WeakPolarHBondContact O-CG2 3.33Å; G228-V230 PolarHBondContact O-N 3.48Å; V230-S232 PolarHBondContact O-N 2.97Å
231C51.1Low55.2Low53 Ų5391.8 Ų91.836%0.35856%0.555SS.*  trans-45107.8168.7-90.50000108.3P229 E233P229-C231 PolarHBondContact O-N 3.41Å; C231-E233 PolarHBondContact O-N 3.27Å
232S58.5Low57.1Low44 Ų4488.1 Ų88.131%0.30854%0.537SS..  trans-66.8122.8-178.2-0.60000108V230 E234 D235 L236V230-S232 PolarHBondContact O-N 2.97Å; S232-E234 PolarHBondContact O-N 3.17Å; S232-D235 WeakPolarHBondContact CB-OD2 3.16Å; S232-D235 WeakPolarHBondContact O-CB 3.29Å; S232-D235 PolarHBondContact O-N 3.49Å; S232-D235 PolarHBondContact OG-OD2 3.27Å; S232-L236 PolarHBondContact O-N 3.45Å
233E63.3Low59.1Low151 Ų15183.2 Ų83.271%0.70650%0.503SS*.Hα-helixtrans-57.3-21.2173.8-169.4147-172.200112.1C231 L236 Q237C231-E233 PolarHBondContact O-N 3.27Å; E233-L236 PolarHBondContact O-N 3.49Å; E233-Q237 PolarHBondContact O-N 3.44Å
234E68Low61.2Low159 Ų15983.2 Ų83.274%0.74350%0.496SS*.Hα-helixtrans-61.9-38.7169.5-59.8173.2170.800112.9S232 Q237 A238S232-E234 PolarHBondContact O-N 3.17Å; E234-Q237 PolarHBondContact O-N 3.37Å; E234-A238 WeakPolarHBondContact O-CB 3.5Å; E234-A238 PolarHBondContact O-N 3.38Å
235D71.9Confident62.7Low44 Ų4481.7 Ų81.724%0.23549%0.491CS..Hα-helixtrans-74.5-35.9178.9-70.1-49.7000111.8S232 Q237 A238 L239 L255 K262S232-D235 WeakPolarHBondContact CB-OD2 3.16Å; S232-D235 WeakPolarHBondContact O-CB 3.29Å; S232-D235 PolarHBondContact O-N 3.49Å; S232-D235 PolarHBondContact OG-OD2 3.27Å; D235-Q237 VanDerWaalsContact C-N 3.33Å; D235-A238 PolarHBondContact O-N 3.11Å; D235-L239 WeakPolarHBondContact O-CB 2.77Å; D235-L239 VanDerWaalsContact O-CG 3.28Å; D235-L239 WeakPolarHBondContact O-CG 3.24Å; D235-L239 PolarHBondContact O-N 3.12Å; D235-L255 HydrophobicContact CB-CD2 4.22Å; D235-K262 IonicContact OD1-NZ 3.24Å
236L75.3Confident64.8Low30 Ų3079.2 Ų79.216%0.15746%0.461CS..Hα-helixtrans-62.8-41.7171.3-72.7176.4000111.5S232 E233 L239 Q240 V251 R252 L255S232-L236 PolarHBondContact O-N 3.45Å; E233-L236 PolarHBondContact O-N 3.49Å; L236-L239 PolarHBondContact O-N 3.09Å; L236-Q240 WeakPolarHBondContact O-CB 3.35Å; L236-Q240 PolarHBondContact O-N 3.06Å; L236-V251 HydrophobicContact CD2-CG1 4.35Å; L236-R252 HydrophobicContact CD1-CB 4.45Å; L236-R252 HydrophobicContact CD1-CG 4.2Å; L236-R252 HydrophobicContact CD2-CB 3.99Å; L236-R252 HydrophobicContact CD2-CG 4.34Å; L236-L255 HydrophobicContact CD2-CB 4.03Å; L236-L255 HydrophobicContact CD2-CD2 3.43Å; L236-L255 VanDerWaalsContact CD2-CD2 3.43Å; L236-L255 HydrophobicContact CD2-CG 4.37Å; L236-L255 HydrophobicContact CG-CD2 3.78Å
237Q75.1Confident66.6Low80 Ų8081.4 Ų81.437%0.37445%0.454SS..Hα-helixtrans-68-41.2177.8-170.65940.700111.4E233 E234 D235 L239 Q240 D241E233-Q237 PolarHBondContact O-N 3.44Å; E234-Q237 PolarHBondContact O-N 3.37Å; D235-Q237 VanDerWaalsContact C-N 3.33Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; Q237-L239 PolarHBondContact O-N 3.34Å; Q237-Q240 PolarHBondContact O-N 3.3Å; Q237-D241 PolarHBondContact NE2-OD1 3.29Å; Q237-D241 PolarHBondContact O-N 3.36Å
238A78.5Confident68.8Low31 Ų3179.2 Ų79.226%0.25644%0.441SS..Hα-helixtrans-63.3-37.9176.500000112.8E234 D235 M242E234-A238 WeakPolarHBondContact O-CB 3.5Å; E234-A238 PolarHBondContact O-N 3.38Å; D235-A238 PolarHBondContact O-N 3.11Å; A238-M242 WeakPolarHBondContact O-CG 3.47Å; A238-M242 PolarHBondContact O-N 3.34Å
239L77.8Confident70.7Confident0 Ų083.6 Ų83.60%045%0.447CS..Hα-helixtrans-70.3-38.6174.9-70.3168.8000111.7D235 L236 Q237 D241 M242 F243 V251 L255 K262 A265 I266D235-L239 WeakPolarHBondContact O-CB 2.77Å; D235-L239 VanDerWaalsContact O-CG 3.28Å; D235-L239 WeakPolarHBondContact O-CG 3.24Å; D235-L239 PolarHBondContact O-N 3.12Å; L236-L239 PolarHBondContact O-N 3.09Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; Q237-L239 PolarHBondContact O-N 3.34Å; L239-D241 VanDerWaalsContact C-N 3.31Å; L239-D241 PolarHBondContact O-N 2.92Å; L239-M242 HydrophobicContact CD2-CE 3.89Å; L239-M242 PolarHBondContact O-N 3.39Å; L239-F243 WeakPolarHBondContact O-CD2 3.42Å; L239-F243 PolarHBondContact O-N 2.73Å; L239-V251 HydrophobicContact CB-CG1 3.51Å; L239-V251 HydrophobicContact CD1-CG1 4.19Å; L239-V251 HydrophobicContact CG-CG1 4.49Å; L239-L255 HydrophobicContact CD1-CB 4.47Å; L239-L255 HydrophobicContact CD1-CD1 3.84Å; L239-L255 HydrophobicContact CD1-CD2 4.18Å; L239-L255 HydrophobicContact CD1-CG 4.39Å; L239-K262 HydrophobicContact CD2-CG 4.25Å; L239-A265 HydrophobicContact CD1-CB 4.26Å; L239-I266 HydrophobicContact CD2-CD1 4.1Å; L239-I266 HydrophobicContact CD2-CG1 3.36Å
240Q78.7Confident72.3Confident26 Ų2679.7 Ų79.712%0.12142%0.42CS..Hα-helixtrans-62.7-38175-172.564.451.700112.4L236 Q237 M242 F243 L246 K248L236-Q240 WeakPolarHBondContact O-CB 3.35Å; L236-Q240 PolarHBondContact O-N 3.06Å; Q237-Q240 PolarHBondContact O-N 3.3Å; Q240-M242 VanDerWaalsContact C-N 3.31Å; Q240-M242 PolarHBondContact O-N 3.43Å; Q240-F243 PolarHBondContact NE2-O 3.04Å; Q240-F243 CarbonylContact O-C 3.55Å; Q240-F243 VanDerWaalsContact O-C 3.23Å; Q240-F243 PolarHBondContact O-N 3.24Å; Q240-L246 PolarHBondContact NE2-O 3.17Å; Q240-K248 HydrophobicContact CG-CG 3.99Å; Q240-K248 VanDerWaalsContact OE1-CA 3.29Å
241D79.9Confident74Confident111 Ų11175 Ų7559%0.59439%0.392SS*.Hα-helixtrans-67.4-31.9178.1-72.8-3000111.9Q237 L239Q237-D241 PolarHBondContact NE2-OD1 3.29Å; Q237-D241 PolarHBondContact O-N 3.36Å; L239-D241 VanDerWaalsContact C-N 3.31Å; L239-D241 PolarHBondContact O-N 2.92Å
242M76.8Confident75.3Confident98 Ų9878.1 Ų78.148%0.48340%0.396SS..Hα-helixtrans-77.8-27.8175.2-65.9-161.8-5400113.2A238 L239 Q240 P244 I266A238-M242 WeakPolarHBondContact O-CG 3.47Å; A238-M242 PolarHBondContact O-N 3.34Å; L239-M242 HydrophobicContact CD2-CE 3.89Å; L239-M242 PolarHBondContact O-N 3.39Å; Q240-M242 VanDerWaalsContact C-N 3.31Å; Q240-M242 PolarHBondContact O-N 3.43Å; M242-P244 VanDerWaalsContact C-CD 3.47Å; M242-P244 WeakPolarHBondContact O-CD 3.44Å; M242-I266 HydrophobicContact CE-CD1 3.6Å; M242-I266 HydrophobicContact CE-CG1 3.65Å
243F80.5Confident76.2Confident24 Ų2480.2 Ų80.211%0.10541%0.407CS..  trans-125.767.8-178.6-59.3-78.8000111.8L239 Q240 N245 L246 I266 L269 L270L239-F243 WeakPolarHBondContact O-CD2 3.42Å; L239-F243 PolarHBondContact O-N 2.73Å; Q240-F243 PolarHBondContact NE2-O 3.04Å; Q240-F243 CarbonylContact O-C 3.55Å; Q240-F243 VanDerWaalsContact O-C 3.23Å; Q240-F243 PolarHBondContact O-N 3.24Å; F243-N245 PolarHBondContact O-N 3.46Å; F243-N245 VanDerWaalsContact O-N 3.09Å; F243-L246 HydrophobicContact CB-CB 4.14Å; F243-L246 HydrophobicContact CB-CD1 3.68Å; F243-L246 HydrophobicContact CB-CG 4.32Å; F243-L246 HydrophobicContact CD1-CD1 4Å; F243-L246 HydrophobicContact CG-CD1 3.93Å; F243-L246 PolarHBondContact O-N 2.95Å; F243-L246 VanDerWaalsContact O-N 3.09Å; F243-I266 HydrophobicContact CZ-CG2 4.4Å; F243-L269 HydrophobicContact CD2-CB 4.37Å; F243-L269 HydrophobicContact CD2-CD1 4.19Å; F243-L269 HydrophobicContact CE2-CB 4.13Å; F243-L269 HydrophobicContact CE2-CD1 4.34Å; F243-L269 HydrophobicContact CZ-CB 4.25Å; F243-L270 HydrophobicContact CE1-CD2 3.75Å; F243-L270 HydrophobicContact CE1-CG 4.11Å; F243-L270 HydrophobicContact CZ-CD2 3.89Å; F243-L270 HydrophobicContact CZ-CG 3.85Å
244P76.8Confident77Confident93 Ų9374 Ų7460%0.60438%0.379SS*.THydrogen-bonded Turntrans-65.5-16.5-176.426.7-35.5000113.7M242M242-P244 VanDerWaalsContact C-CD 3.47Å; M242-P244 WeakPolarHBondContact O-CD 3.44Å
245N74.5Confident77.5Confident162 Ų16266.5 Ų66.587%0.86634%0.344SS*.THydrogen-bonded Turntrans-87.8-7.5178.9-62.4-23.6000113.5F243F243-N245 PolarHBondContact O-N 3.46Å; F243-N245 VanDerWaalsContact O-N 3.09Å
246L76.3Confident77.7Confident23 Ų2370 Ų7012%0.1236%0.359CS..SBendtrans-101.6140.3179.7-79.3164.8000110.7Q240 F243 V251 L269 T273Q240-L246 PolarHBondContact NE2-O 3.17Å; F243-L246 HydrophobicContact CB-CB 4.14Å; F243-L246 HydrophobicContact CB-CD1 3.68Å; F243-L246 HydrophobicContact CB-CG 4.32Å; F243-L246 HydrophobicContact CD1-CD1 4Å; F243-L246 HydrophobicContact CG-CD1 3.93Å; F243-L246 PolarHBondContact O-N 2.95Å; F243-L246 VanDerWaalsContact O-N 3.09Å; L246-V251 HydrophobicContact CB-CG2 4.23Å; L246-L269 HydrophobicContact CD1-CB 4.33Å; L246-L269 HydrophobicContact CD1-CD2 4.06Å; L246-T273 HydrophobicContact CD1-CG2 3.49Å; L246-T273 VanDerWaalsContact CD1-CG2 3.49Å; L246-T273 HydrophobicContact CD2-CG2 4.13Å; L246-T273 HydrophobicContact CG-CG2 3.85Å
247D81Confident77.9Confident123 Ų12372 Ų7266%0.65838%0.381SS*.  trans-66.6138.8178.8-78.1-43.6000112E249 V250 V251D247-E249 PolarHBondContact O-N 2.97Å; D247-E249 VanDerWaalsContact O-N 3.09Å; D247-V250 HydrophobicContact CB-CG2 4.14Å; D247-V250 WeakPolarHBondContact O-CB 3.26Å; D247-V250 PolarHBondContact O-N 3.26Å; D247-V251 PolarHBondContact O-N 2.92Å
248K77Confident78Confident122 Ų12271.7 Ų71.753%0.5338%0.379SS..Hα-helixtrans-53.5-33.1179.7-93.9-168.7172-1660113.5Q240 R252Q240-K248 HydrophobicContact CG-CG 3.99Å; Q240-K248 VanDerWaalsContact OE1-CA 3.29Å; K248-R252 WeakPolarHBondContact O-CB 3.4Å; K248-R252 PolarHBondContact O-N 2.9Å
249E75.2Confident77.7Confident150 Ų15078.7 Ų78.770%0.70141%0.407SS*.Hα-helixtrans-72.8-32.1179.9-61.4-164.3148.200112.5D247 T253D247-E249 PolarHBondContact O-N 2.97Å; D247-E249 VanDerWaalsContact O-N 3.09Å; E249-T253 WeakPolarHBondContact O-CB 3.35Å; E249-T253 PolarHBondContact O-N 3.01Å; E249-T253 PolarHBondContact O-OG1 2.9Å
250V78.1Confident77.1Confident51 Ų5180.1 Ų80.131%0.30942%0.421SS..Hα-helixtrans-70.8-46.3176.2179.30000109.8D247 R252 T253 V254 M272D247-V250 HydrophobicContact CB-CG2 4.14Å; D247-V250 WeakPolarHBondContact O-CB 3.26Å; D247-V250 PolarHBondContact O-N 3.26Å; V250-R252 VanDerWaalsContact C-N 3.28Å; V250-R252 PolarHBondContact O-N 3.27Å; V250-T253 PolarHBondContact O-N 3.26Å; V250-V254 WeakPolarHBondContact O-CG2 3.41Å; V250-V254 PolarHBondContact O-N 3.04Å; V250-M272 HydrophobicContact CG1-CE 4.35Å
251V79.2Confident77Confident1 Ų182.9 Ų82.91%0.00644%0.437CS..Hα-helixtrans-58.8-42175.9178.10000110.9L236 L239 L246 D247 L255 L269L236-V251 HydrophobicContact CD2-CG1 4.35Å; L239-V251 HydrophobicContact CB-CG1 3.51Å; L239-V251 HydrophobicContact CD1-CG1 4.19Å; L239-V251 HydrophobicContact CG-CG1 4.49Å; L246-V251 HydrophobicContact CB-CG2 4.23Å; D247-V251 PolarHBondContact O-N 2.92Å; V251-L255 WeakPolarHBondContact O-CB 3.31Å; V251-L255 PolarHBondContact O-N 2.81Å; V251-L269 HydrophobicContact CG1-CD1 4.22Å; V251-L269 HydrophobicContact CG2-CD1 4.28Å; V251-L269 HydrophobicContact CG2-CD2 4.49Å
252R78.3Confident76.9Confident118 Ų11880.9 Ų80.945%0.44542%0.423SS..Hα-helixtrans-62-48.3174.9-176.6-176.6-70.7175.7-4.9112.5L236 K248 V250 V254 L255 E256L236-R252 HydrophobicContact CD1-CB 4.45Å; L236-R252 HydrophobicContact CD1-CG 4.2Å; L236-R252 HydrophobicContact CD2-CB 3.99Å; L236-R252 HydrophobicContact CD2-CG 4.34Å; K248-R252 WeakPolarHBondContact O-CB 3.4Å; K248-R252 PolarHBondContact O-N 2.9Å; V250-R252 VanDerWaalsContact C-N 3.28Å; V250-R252 PolarHBondContact O-N 3.27Å; R252-V254 VanDerWaalsContact C-N 3.31Å; R252-V254 PolarHBondContact O-N 3.04Å; R252-L255 PolarHBondContact O-N 3.15Å; R252-E256 HydrophobicContact CG-CG 4.34Å; R252-E256 WeakPolarHBondContact CG-OE1 3.34Å; R252-E256 WeakPolarHBondContact O-CB 3.38Å; R252-E256 WeakPolarHBondContact O-CG 3.43Å; R252-E256 PolarHBondContact O-N 3.06Å
253T78.9Confident77.1Confident88 Ų8881.6 Ų81.654%0.5443%0.429SS..Hα-helixtrans-60.7-41.3-179-56.60000111.6E249 V250 A257E249-T253 WeakPolarHBondContact O-CB 3.35Å; E249-T253 PolarHBondContact O-N 3.01Å; E249-T253 PolarHBondContact O-OG1 2.9Å; V250-T253 PolarHBondContact O-N 3.26Å; T253-A257 VanDerWaalsContact O-CB 3.29Å; T253-A257 WeakPolarHBondContact O-CB 3.43Å; T253-A257 PolarHBondContact O-N 3.4Å
254V78.6Confident77Confident19 Ų1981.8 Ų81.812%0.11543%0.434CS..Hα-helixtrans-69.9-40.7178.6176.10000111.3V250 R252 A257 Q258 A265 L269 M272V250-V254 WeakPolarHBondContact O-CG2 3.41Å; V250-V254 PolarHBondContact O-N 3.04Å; R252-V254 VanDerWaalsContact C-N 3.31Å; R252-V254 PolarHBondContact O-N 3.04Å; V254-A257 PolarHBondContact O-N 3.39Å; V254-Q258 WeakPolarHBondContact O-CG 3.28Å; V254-Q258 PolarHBondContact O-N 3.4Å; V254-A265 HydrophobicContact CG1-CB 4.19Å; V254-L269 HydrophobicContact CB-CD2 4.17Å; V254-L269 HydrophobicContact CB-CG 4.46Å; V254-L269 HydrophobicContact CG1-CD2 4.32Å; V254-L269 HydrophobicContact CG1-CG 4.15Å; V254-L269 HydrophobicContact CG2-CD2 3.95Å; V254-M272 HydrophobicContact CG2-SD 4.24Å
255L79Confident77.2Confident2 Ų277.3 Ų77.31%0.0141%0.405CS..Hα-helixtrans-66-39.3177.2-170.865.1000112.1D235 L236 L239 V251 R252 Q258 Q259 G260 A265D235-L255 HydrophobicContact CB-CD2 4.22Å; L236-L255 HydrophobicContact CD2-CB 4.03Å; L236-L255 HydrophobicContact CD2-CD2 3.43Å; L236-L255 VanDerWaalsContact CD2-CD2 3.43Å; L236-L255 HydrophobicContact CD2-CG 4.37Å; L236-L255 HydrophobicContact CG-CD2 3.78Å; L239-L255 HydrophobicContact CD1-CB 4.47Å; L239-L255 HydrophobicContact CD1-CD1 3.84Å; L239-L255 HydrophobicContact CD1-CD2 4.18Å; L239-L255 HydrophobicContact CD1-CG 4.39Å; V251-L255 WeakPolarHBondContact O-CB 3.31Å; V251-L255 PolarHBondContact O-N 2.81Å; R252-L255 PolarHBondContact O-N 3.15Å; L255-Q258 CarbonylContact O-C 3.23Å; L255-Q258 PolarHBondContact O-N 3.06Å; L255-Q259 PolarHBondContact O-N 2.96Å; L255-G260 PolarHBondContact O-N 3.48Å; L255-A265 HydrophobicContact CD1-CB 3.86Å
256E77Confident77.5Confident117 Ų11771.2 Ų71.255%0.54737%0.372SS..Hα-helixtrans-66-42174.4-74.8176.7-176.100111.7R252 Q258 Q259R252-E256 HydrophobicContact CG-CG 4.34Å; R252-E256 WeakPolarHBondContact CG-OE1 3.34Å; R252-E256 WeakPolarHBondContact O-CB 3.38Å; R252-E256 WeakPolarHBondContact O-CG 3.43Å; R252-E256 PolarHBondContact O-N 3.06Å; E256-Q258 PolarHBondContact O-N 3.38Å; E256-Q259 PolarHBondContact O-N 3.37Å; E256-Q259 VanDerWaalsContact O-N 3.09Å
257A77.9Confident77.8Confident74 Ų7475.3 Ų75.361%0.61239%0.394SS*.Hα-helixtrans-61-32.6175.400000112.4T253 V254 Q259T253-A257 VanDerWaalsContact O-CB 3.29Å; T253-A257 WeakPolarHBondContact O-CB 3.43Å; T253-A257 PolarHBondContact O-N 3.4Å; V254-A257 PolarHBondContact O-N 3.39Å; A257-Q259 VanDerWaalsContact C-N 3.32Å
258Q78.3Confident77.8Confident72 Ų7271.1 Ų71.134%0.33638%0.375SS..THydrogen-bonded Turntrans-91.415.4177.8-59.8-62-1.200113.8V254 L255 E256 G260 N261 A264 S268V254-Q258 WeakPolarHBondContact O-CG 3.28Å; V254-Q258 PolarHBondContact O-N 3.4Å; L255-Q258 CarbonylContact O-C 3.23Å; L255-Q258 PolarHBondContact O-N 3.06Å; E256-Q258 PolarHBondContact O-N 3.38Å; Q258-G260 PolarHBondContact O-N 2.98Å; Q258-G260 VanDerWaalsContact O-N 3.17Å; Q258-N261 HydrophobicContact CB-CB 4.46Å; Q258-N261 VanDerWaalsContact O-CB 3.27Å; Q258-N261 WeakPolarHBondContact O-CB 3.48Å; Q258-N261 PolarHBondContact O-N 3.2Å; Q258-A264 HydrophobicContact CB-CB 4.22Å; Q258-A264 HydrophobicContact CG-CB 4.1Å; Q258-S268 PolarHBondContact NE2-OG 3.04Å
259Q72.6Confident78Confident179 Ų17965.3 Ų65.384%0.83635%0.349SS*.THydrogen-bonded Turntrans52.736.2178.3-58.9-177.84.300113.5L255 E256 A257 N261L255-Q259 PolarHBondContact O-N 2.96Å; E256-Q259 PolarHBondContact O-N 3.37Å; E256-Q259 VanDerWaalsContact O-N 3.09Å; A257-Q259 VanDerWaalsContact C-N 3.32Å; Q259-N261 VanDerWaalsContact C-N 3.32Å; Q259-N261 PolarHBondContact O-N 2.61Å
260G63.9Low78.4Confident29 Ų2961.8 Ų61.830%0.29934%0.335SS..THydrogen-bonded Turntrans79.58.7-179.600000114.8L255 Q258 K262L255-G260 PolarHBondContact O-N 3.48Å; Q258-G260 PolarHBondContact O-N 2.98Å; Q258-G260 VanDerWaalsContact O-N 3.17Å; G260-K262 PolarHBondContact O-N 2.99Å
261N76.9Confident78.3Confident84 Ų8465.2 Ų65.245%0.44935%0.348SS..  trans-77.6101.2174.1-170.3-29.3000111Q258 Q259 D263 A264 A265Q258-N261 HydrophobicContact CB-CB 4.46Å; Q258-N261 VanDerWaalsContact O-CB 3.27Å; Q258-N261 WeakPolarHBondContact O-CB 3.48Å; Q258-N261 PolarHBondContact O-N 3.2Å; Q259-N261 VanDerWaalsContact C-N 3.32Å; Q259-N261 PolarHBondContact O-N 2.61Å; N261-D263 PolarHBondContact O-N 3.05Å; N261-D263 PolarHBondContact OD1-N 3.47Å; N261-A264 HydrophobicContact CB-CB 4.08Å; N261-A264 PolarHBondContact O-N 2.88Å; N261-A264 PolarHBondContact OD1-N 3.3Å; N261-A265 PolarHBondContact O-N 3.05Å
262K78.2Confident77.8Confident69 Ų6969.4 Ų69.430%0.337%0.368SS..Hα-helixtrans-58.9-43.8-177.9-175.3176.6-179.61680113.4D235 L239 G260 A264 A265 I266D235-K262 IonicContact OD1-NZ 3.24Å; L239-K262 HydrophobicContact CD2-CG 4.25Å; G260-K262 PolarHBondContact O-N 2.99Å; K262-A264 PolarHBondContact O-N 3.2Å; K262-A265 PolarHBondContact O-N 2.73Å; K262-I266 HydrophobicContact CG-CD1 3.96Å; K262-I266 VanDerWaalsContact O-CG1 3.24Å; K262-I266 WeakPolarHBondContact O-CG1 3.47Å; K262-I266 PolarHBondContact O-N 3.42Å
263D80.6Confident77.2Confident114 Ų11466.3 Ų66.361%0.6136%0.362SS*.Hα-helixtrans-68.8-36.8-176.5-61.6-53.2000111.9N261 N267N261-D263 PolarHBondContact O-N 3.05Å; N261-D263 PolarHBondContact OD1-N 3.47Å; D263-N267 PolarHBondContact O-N 2.85Å; D263-N267 PolarHBondContact O-ND2 3.48Å
264A79.7Confident76.5Confident27 Ų2770 Ų7022%0.22337%0.374CS..Hα-helixtrans-66.7-41.9173.100000111.3Q258 N261 K262 I266 N267 S268Q258-A264 HydrophobicContact CB-CB 4.22Å; Q258-A264 HydrophobicContact CG-CB 4.1Å; N261-A264 HydrophobicContact CB-CB 4.08Å; N261-A264 PolarHBondContact O-N 2.88Å; N261-A264 PolarHBondContact OD1-N 3.3Å; K262-A264 PolarHBondContact O-N 3.2Å; A264-I266 PolarHBondContact O-N 2.96Å; A264-N267 PolarHBondContact O-N 3.09Å; A264-S268 PolarHBondContact O-N 3.33Å; A264-S268 VanDerWaalsContact O-N 3.11Å; A264-S268 PolarHBondContact O-OG 3.33Å
265A80.6Confident75.3Confident0 Ų076.9 Ų76.90%041%0.405CS..Hα-helixtrans-63.7-39.817800000112.5L239 V254 L255 N261 K262 S268 L269L239-A265 HydrophobicContact CD1-CB 4.26Å; V254-A265 HydrophobicContact CG1-CB 4.19Å; L255-A265 HydrophobicContact CD1-CB 3.86Å; N261-A265 PolarHBondContact O-N 3.05Å; K262-A265 PolarHBondContact O-N 2.73Å; A265-S268 PolarHBondContact O-N 2.95Å; A265-L269 WeakPolarHBondContact O-CB 3.46Å; A265-L269 VanDerWaalsContact O-CG 3.26Å; A265-L269 WeakPolarHBondContact O-CG 3.4Å; A265-L269 PolarHBondContact O-N 3.06Å
266I81.3Confident73.8Confident34 Ų3486.3 Ų86.317%0.17445%0.454CS..Hα-helixtrans-61.2-47.2176.4-67161.9000111L239 M242 F243 K262 A264 S268 L269 L270L239-I266 HydrophobicContact CD2-CD1 4.1Å; L239-I266 HydrophobicContact CD2-CG1 3.36Å; M242-I266 HydrophobicContact CE-CD1 3.6Å; M242-I266 HydrophobicContact CE-CG1 3.65Å; F243-I266 HydrophobicContact CZ-CG2 4.4Å; K262-I266 HydrophobicContact CG-CD1 3.96Å; K262-I266 VanDerWaalsContact O-CG1 3.24Å; K262-I266 WeakPolarHBondContact O-CG1 3.47Å; K262-I266 PolarHBondContact O-N 3.42Å; A264-I266 PolarHBondContact O-N 2.96Å; I266-S268 VanDerWaalsContact C-N 3.33Å; I266-S268 PolarHBondContact O-N 3.43Å; I266-L269 PolarHBondContact O-N 3.48Å; I266-L270 HydrophobicContact CG2-CD1 3.82Å; I266-L270 HydrophobicContact CG2-CG 4.35Å; I266-L270 WeakPolarHBondContact O-CB 3.44Å; I266-L270 WeakPolarHBondContact O-CG 3.44Å; I266-L270 PolarHBondContact O-N 3.26Å
267N81.4Confident73.7Confident108 Ų10884.8 Ų84.858%0.57845%0.449SS*.Hα-helixtrans-63.1-40.2179.6-75.9-58.7000112D263 A264 Q271D263-N267 PolarHBondContact O-N 2.85Å; D263-N267 PolarHBondContact O-ND2 3.48Å; A264-N267 PolarHBondContact O-N 3.09Å; N267-Q271 WeakPolarHBondContact O-CB 3.38Å; N267-Q271 PolarHBondContact O-N 3.43Å; N267-Q271 VanDerWaalsContact O-N 3.12Å
268S81.4Confident73.4Confident35 Ų3585.4 Ų85.425%0.24544%0.441CS..Hα-helixtrans-65.5-41.6174.9-62.50000112.6Q258 A264 A265 I266 Q271 M272Q258-S268 PolarHBondContact NE2-OG 3.04Å; A264-S268 PolarHBondContact O-N 3.33Å; A264-S268 VanDerWaalsContact O-N 3.11Å; A264-S268 PolarHBondContact O-OG 3.33Å; A265-S268 PolarHBondContact O-N 2.95Å; I266-S268 VanDerWaalsContact C-N 3.33Å; I266-S268 PolarHBondContact O-N 3.43Å; S268-Q271 PolarHBondContact O-N 2.96Å; S268-M272 VanDerWaalsContact O-CG 3.31Å; S268-M272 WeakPolarHBondContact O-CG 3.4Å; S268-M272 PolarHBondContact O-N 3.24Å
269L81.8Confident73.2Confident0 Ų086.1 Ų86.10%045%0.447CS..Hα-helixtrans-70.1-34.9179.1-69.8170000112.6F243 L246 V251 V254 A265 I266 M272 T273F243-L269 HydrophobicContact CD2-CB 4.37Å; F243-L269 HydrophobicContact CD2-CD1 4.19Å; F243-L269 HydrophobicContact CE2-CB 4.13Å; F243-L269 HydrophobicContact CE2-CD1 4.34Å; F243-L269 HydrophobicContact CZ-CB 4.25Å; L246-L269 HydrophobicContact CD1-CB 4.33Å; L246-L269 HydrophobicContact CD1-CD2 4.06Å; V251-L269 HydrophobicContact CG1-CD1 4.22Å; V251-L269 HydrophobicContact CG2-CD1 4.28Å; V251-L269 HydrophobicContact CG2-CD2 4.49Å; V254-L269 HydrophobicContact CB-CD2 4.17Å; V254-L269 HydrophobicContact CB-CG 4.46Å; V254-L269 HydrophobicContact CG1-CD2 4.32Å; V254-L269 HydrophobicContact CG1-CG 4.15Å; V254-L269 HydrophobicContact CG2-CD2 3.95Å; A265-L269 WeakPolarHBondContact O-CB 3.46Å; A265-L269 VanDerWaalsContact O-CG 3.26Å; A265-L269 WeakPolarHBondContact O-CG 3.4Å; A265-L269 PolarHBondContact O-N 3.06Å; I266-L269 PolarHBondContact O-N 3.48Å; L269-M272 PolarHBondContact O-N 2.96Å; L269-T273 PolarHBondContact O-N 3.09Å; L269-T273 PolarHBondContact O-OG1 3.39Å
270L82.3Confident73.2Confident77 Ų7780.6 Ų80.640%0.40342%0.424SS..Hα-helixtrans-62.5-45.6172.4-77.2167000111.1F243 I266 M272 T273 E274F243-L270 HydrophobicContact CE1-CD2 3.75Å; F243-L270 HydrophobicContact CE1-CG 4.11Å; F243-L270 HydrophobicContact CZ-CD2 3.89Å; F243-L270 HydrophobicContact CZ-CG 3.85Å; I266-L270 HydrophobicContact CG2-CD1 3.82Å; I266-L270 HydrophobicContact CG2-CG 4.35Å; I266-L270 WeakPolarHBondContact O-CB 3.44Å; I266-L270 WeakPolarHBondContact O-CG 3.44Å; I266-L270 PolarHBondContact O-N 3.26Å; L270-M272 VanDerWaalsContact C-N 3.3Å; L270-M272 PolarHBondContact O-N 3.44Å; L270-T273 WeakPolarHBondContact CA-OG1 3.45Å; L270-T273 PolarHBondContact O-N 3.09Å; L270-T273 VanDerWaalsContact O-N 3.15Å; L270-T273 PolarHBondContact O-OG1 2.89Å; L270-T273 VanDerWaalsContact O-OG1 3.04Å; L270-E274 PolarHBondContact O-N 3Å
271Q76.1Confident73.8Confident122 Ų12283.9 Ų83.957%0.5743%0.431SS*.Hα-helixtrans-64.5-35.9178.8-164.517011.500112.1N267 S268 T273N267-Q271 WeakPolarHBondContact O-CB 3.38Å; N267-Q271 PolarHBondContact O-N 3.43Å; N267-Q271 VanDerWaalsContact O-N 3.12Å; S268-Q271 PolarHBondContact O-N 2.96Å; Q271-T273 VanDerWaalsContact C-N 3.35Å
272M69.7Low73.6Confident90 Ų9083.9 Ų83.944%0.44343%0.43SS..Hα-helixtrans-71.8-25.6175.3-70.7179.774.600113.7V250 V254 S268 L269 L270V250-M272 HydrophobicContact CG1-CE 4.35Å; V254-M272 HydrophobicContact CG2-SD 4.24Å; S268-M272 VanDerWaalsContact O-CG 3.31Å; S268-M272 WeakPolarHBondContact O-CG 3.4Å; S268-M272 PolarHBondContact O-N 3.24Å; L269-M272 PolarHBondContact O-N 2.96Å; L270-M272 VanDerWaalsContact C-N 3.3Å; L270-M272 PolarHBondContact O-N 3.44Å
273T65.5Low73.2Confident52 Ų5284.9 Ų84.932%0.31944%0.44SS..Hα-helixtrans-87.6-20177.538.10000113.4L246 L269 L270 Q271L246-T273 HydrophobicContact CD1-CG2 3.49Å; L246-T273 VanDerWaalsContact CD1-CG2 3.49Å; L246-T273 HydrophobicContact CD2-CG2 4.13Å; L246-T273 HydrophobicContact CG-CG2 3.85Å; L269-T273 PolarHBondContact O-N 3.09Å; L269-T273 PolarHBondContact O-OG1 3.39Å; L270-T273 WeakPolarHBondContact CA-OG1 3.45Å; L270-T273 PolarHBondContact O-N 3.09Å; L270-T273 VanDerWaalsContact O-N 3.15Å; L270-T273 PolarHBondContact O-OG1 2.89Å; L270-T273 VanDerWaalsContact O-OG1 3.04Å; Q271-T273 VanDerWaalsContact C-N 3.35Å
274E63.6Low72.7Confident167 Ų16782.7 Ų82.778%0.7843%0.427SS*.Hα-helixtrans-76.9-20.1170.3-76.4-175.1154.700113.5L270L270-E274 PolarHBondContact O-N 3Å
275E54.4Low72.1Confident163 Ų16387.3 Ų87.376%0.76244%0.443SS*.  trans-93.63.6-179.4-70.9-168.7165.900114.7
276L47.1Very low71.3Confident200 Ų20095.3 Ų95.3100%1.04748%0.484SS*.  trans-109.70176.3-86.1160.2000111.7

Retrieved 276 of 276 residues in 387 ms (Link to these results)