A0A077ZN47_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZN47, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 323 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1P42.8Very low59.4Low175 Ų175144.9 Ų144.9100%1.13684%0.839SS**  012005.717.1000110.8
2P49.4Very low60.4Low129 Ų129140.3 Ų140.384%0.83883%0.831SS**  trans-79138.8-172.731.2-32000112.8
3G46.3Very low61.1Low74 Ų74138.4 Ų138.476%0.76383%0.825SS**  trans28.5105.8143.400000120.3
4H58.4Low61.9Low197 Ų197136.4 Ų136.491%0.91282%0.818SS**  trans-105103.8141.3-82.2-65.1000108.6
5R59Low62.5Low240 Ų240135 Ų13591%0.90681%0.813SS**PPolyproline II helixtrans-80.3124.2172.6-147178.4-167.8-170.53.2107.6
6P67.7Low62.6Low106 Ų106134.5 Ų134.569%0.68882%0.816SS**PPolyproline II helixtrans-68.5151.7-177.925.1-31.9000111.8
7P67.6Low63.1Low114 Ų114134.4 Ų134.474%0.7482%0.815SS**PPolyproline II helixtrans-63.4149.1179.326.1-33000111.2G9P7-G9 PolarHBondContact O-N 3.5Å
8P66.5Low63.5Low127 Ų127139.7 Ų139.783%0.82582%0.818SS**PPolyproline II helixtrans-59.1123.217822.9-30.8000109.9R10P8-R10 PolarHBondContact O-N 3.19Å
9G65.5Low64Low71 Ų71138.1 Ų138.173%0.73281%0.812SS**PPolyproline II helixtrans-56.5137.1172.100000110.1P7P7-G9 PolarHBondContact O-N 3.5Å
10R65.9Low64.2Low239 Ų239137.4 Ų137.490%0.90281%0.812SS**PPolyproline II helixtrans-55.4142.3177.3-80.4-179.4173.9-175-2.2110.3P8 A12P8-R10 PolarHBondContact O-N 3.19Å; R10-A12 PolarHBondContact O-N 3.4Å
11P64.7Low64.7Low122 Ų122140.1 Ų140.179%0.79281%0.808SS**PPolyproline II helixtrans-54.8135.9177.8-20.630.4000110.7
12A70.5Confident66.1Low90 Ų90136.6 Ų136.674%0.74479%0.785SS**PPolyproline II helixtrans-58.5138.4170.600000109.4R10R10-A12 PolarHBondContact O-N 3.4Å
13P70.2Confident67Low115 Ų115135.7 Ų135.775%0.74778%0.779SS**PPolyproline II helixtrans-60.5148178.824.4-32000110.5
14P72.6Confident68.2Low111 Ų111139.3 Ų139.372%0.72178%0.776SS**PPolyproline II helixtrans-58.8149.3178.624.9-33.1000110.6C16P14-C16 PolarHBondContact O-N 3.3Å
15P70Confident68.8Low115 Ų115135.8 Ų135.875%0.74777%0.768SS**PPolyproline II helixtrans-58.6131.7178.224-32000109.7V17P15-V17 PolarHBondContact O-N 2.87Å
16C65.2Low69.5Low127 Ų127130.1 Ų130.186%0.85876%0.76SS**  trans-59.7101.2170.9-72.10000108.9P14 R18P14-C16 PolarHBondContact O-N 3.3Å; C16-R18 PolarHBondContact O-N 3.34Å
17V70.1Confident69.7Low132 Ų132129.7 Ų129.780%0.876%0.757SS**  trans-64.3106.8168.51800000106.5P15 P19P15-V17 PolarHBondContact O-N 2.87Å; V17-P19 WeakPolarHBondContact O-CD 3.47Å
18R70.7Confident69.8Low230 Ų230130.2 Ų130.287%0.86876%0.761SS**PPolyproline II helixtrans-61.2125.4172.4-90.9-177.5173.7-177-1.1107.9C16C16-R18 PolarHBondContact O-N 3.34Å
19P73.1Confident70.2Confident110 Ų110127 Ų12771%0.71475%0.75SS**PPolyproline II helixtrans-59.1148.3175.118.3-24.8000110.1V17 R21V17-P19 WeakPolarHBondContact O-CD 3.47Å; P19-R21 PolarHBondContact O-N 3.03Å
20P67.4Low70.4Confident123 Ų123128.9 Ų128.980%0.79975%0.75SS**PPolyproline II helixtrans-55.8134.4177.721.6-30.5000109.7
21R74.4Confident70.6Confident196 Ų196122.8 Ų122.874%0.7474%0.741SS**PPolyproline II helixtrans-56.7127.2175.7-177.5-178.8-88.4-120.91.2107.7P19 H24P19-R21 PolarHBondContact O-N 3.03Å; R21-H24 PolarHBondContact NH1-NE2 3.02Å
22P72.3Confident70.9Confident100 Ų100126 Ų12665%0.64975%0.745SS**PPolyproline II helixtrans-54.3145.4175.5-2230.8000109.9H24P22-H24 PolarHBondContact O-N 2.8Å
23P68Low71.1Confident111 Ų111127.3 Ų127.372%0.72174%0.744SS**PPolyproline II helixtrans-53.9131.7170.522.4-30.5000108.2V25P23-V25 PolarHBondContact O-N 3.21Å
24H72.3Confident71.3Confident150 Ų150127.6 Ų127.669%0.69474%0.743SS**  trans-62.994.5169.4-89.4-81.7000107.2R21 P22 V26R21-H24 PolarHBondContact NH1-NE2 3.02Å; P22-H24 PolarHBondContact O-N 2.8Å; H24-V26 VanDerWaalsContact C-N 3.27Å; H24-V26 PolarHBondContact O-N 2.96Å
25V71.2Confident71.3Confident123 Ų123127.2 Ų127.275%0.74574%0.74SS**  trans-68.896165.6-178.50000105.1P23 P27P23-V25 PolarHBondContact O-N 3.21Å; V25-P27 WeakPolarHBondContact O-CD 3.33Å
26V74.1Confident71.4Confident121 Ų121127.3 Ų127.373%0.73374%0.741SS**PPolyproline II helixtrans-60.8119.4167.9-179.50000105.5H24H24-V26 VanDerWaalsContact C-N 3.27Å; H24-V26 PolarHBondContact O-N 2.96Å
27P71.5Confident72Confident97 Ų97130.5 Ų130.563%0.6374%0.735SS**PPolyproline II helixtrans-54143.5174.5-20.430.6000108.5V25 G29V25-P27 WeakPolarHBondContact O-CD 3.33Å; P27-G29 PolarHBondContact O-N 3.24Å
28P69.5Low72.2Confident125 Ų125129.1 Ų129.181%0.81273%0.729SS**PPolyproline II helixtrans-51.9123.8169.321.7-29.9000107.7
29G74.1Confident72.2Confident58 Ų58123.4 Ų123.460%0.59872%0.722SS**PPolyproline II helixtrans-52.5147.2172.200000108.8P27P27-G29 PolarHBondContact O-N 3.24Å
30P70.8Confident72.3Confident112 Ų112125.1 Ų125.173%0.72772%0.72SS**PPolyproline II helixtrans-50.8141.2176.421.2-30.7000108.6H32P30-H32 PolarHBondContact O-N 3.03Å
31P69.5Low72.7Confident111 Ų111125.1 Ų125.172%0.72172%0.717SS**PPolyproline II helixtrans-50.9125.2179.420.4-30.7000107.6V33P31-V33 PolarHBondContact O-N 2.85Å
32H72.4Confident72.8Confident188 Ų188121.5 Ų121.587%0.8772%0.717SS**  trans-60.695.3167.5-90.7-74.5000106.1P30 V34P30-H32 PolarHBondContact O-N 3.03Å; H32-V34 PolarHBondContact O-N 2.73Å
33V73.4Confident72.9Confident119 Ų119121.4 Ų121.472%0.72172%0.716SS**  trans-69.390.6169.6-1780000104.5P31 P35P31-V33 PolarHBondContact O-N 2.85Å; V33-P35 VanDerWaalsContact O-CD 3.23Å; V33-P35 WeakPolarHBondContact O-CD 3.23Å; V33-P35 VanDerWaalsContact O-N 3.11Å
34V73.8Confident73Confident121 Ų121121.9 Ų121.973%0.73372%0.719SS**PPolyproline II helixtrans-57.6117167.5179.90000105.1H32H32-V34 PolarHBondContact O-N 2.73Å
35P73.1Confident72.8Confident102 Ų102125.4 Ų125.466%0.66273%0.726SS**PPolyproline II helixtrans-54.3136.8176.8-21.331.2000108V33 R37V33-P35 VanDerWaalsContact O-CD 3.23Å; V33-P35 WeakPolarHBondContact O-CD 3.23Å; V33-P35 VanDerWaalsContact O-N 3.11Å; P35-R37 PolarHBondContact O-N 3.1Å; P35-R37 VanDerWaalsContact O-N 3.1Å
36P73.4Confident72.4Confident118 Ų118124 Ų12477%0.76672%0.72SS**PPolyproline II helixtrans-54.8127.3175.421.9-30.2000107.9P38P36-P38 VanDerWaalsContact O-N 3.13Å
37R77.6Confident71.8Confident193 Ų193123.4 Ų123.473%0.72872%0.719SS**PPolyproline II helixtrans-48.4125.2170.3176.3-180-76-106.8-2.4106.4P35 H40P35-R37 PolarHBondContact O-N 3.1Å; P35-R37 VanDerWaalsContact O-N 3.1Å; R37-H40 PolarHBondContact NH1-NE2 3.07Å
38P72.9Confident71.2Confident103 Ų103124 Ų12467%0.66972%0.722SS**PPolyproline II helixtrans-49.6134.3175.7-24.231.2000108P36 H40P36-P38 VanDerWaalsContact O-N 3.13Å; P38-H40 PolarHBondContact O-N 2.78Å
39P72.2Confident70.6Confident111 Ų111126.6 Ų126.672%0.72172%0.724SS**PPolyproline II helixtrans-52.6126.4176.620.8-30.1000107.3V41P39-V41 PolarHBondContact O-N 3.05Å
40H75.3Confident70.4Confident145 Ų145135.3 Ų135.367%0.67174%0.738SS**  trans-59.2100.5167.8-85.8-75000105.8R37 P38 V42R37-H40 PolarHBondContact NH1-NE2 3.07Å; P38-H40 PolarHBondContact O-N 2.78Å; H40-V42 PolarHBondContact O-N 3.07Å
41V74.6Confident70.9Confident123 Ų123136 Ų13675%0.74573%0.732SS**  trans-67.791.1171.4-1790000104.9P39 P43P39-V41 PolarHBondContact O-N 3.05Å; V41-P43 VanDerWaalsContact O-CD 3.24Å; V41-P43 WeakPolarHBondContact O-CD 3.47Å; V41-P43 VanDerWaalsContact O-N 3.14Å
42V77Confident72Confident121 Ų121132.9 Ų132.973%0.73372%0.716SS**PPolyproline II helixtrans-59.4117.7170.2-179.50000105.1H40H40-V42 PolarHBondContact O-N 3.07Å
43P74.9Confident73Confident98 Ų98124.4 Ų124.464%0.63668%0.677SS**PPolyproline II helixtrans-52.7138.7176.3-22.831.9000108.4V41 R45V41-P43 VanDerWaalsContact O-CD 3.24Å; V41-P43 WeakPolarHBondContact O-CD 3.47Å; V41-P43 VanDerWaalsContact O-N 3.14Å; P43-R45 PolarHBondContact O-N 3.32Å
44P68.7Low74.2Confident121 Ų121122.3 Ų122.379%0.78666%0.657SS**PPolyproline II helixtrans-52.3125.4177.319.7-30000108.4P46P44-P46 VanDerWaalsContact O-N 3.17Å
45R68.7Low75.3Confident223 Ų223116.6 Ų116.684%0.84262%0.622SS**PPolyproline II helixtrans-49.5126.6179-167.1-179.5-155.7-1414.6107.2P43P43-R45 PolarHBondContact O-N 3.32Å
46P63.3Low76.4Confident95 Ų95111.7 Ų111.762%0.61759%0.591SS**PPolyproline II helixtrans-49140.7174.2-24.731.4000108.6P44P44-P46 VanDerWaalsContact O-N 3.17Å
47P60.7Low77.5Confident108 Ų108107.8 Ų107.870%0.70156%0.563SS**PPolyproline II helixtrans-47.4137.7173.8-22.830.6000108.1Q49P47-Q49 PolarHBondContact O-N 3.39Å
48P59Low78.4Confident108 Ų10898.6 Ų98.670%0.70153%0.529SS*.  trans-47.8112.8179.2-24.330.9000108R50P48-R50 PolarHBondContact O-N 2.82Å
49Q58.3Low79.4Confident181 Ų18198.5 Ų98.585%0.84652%0.521SS*.  trans-57.6108.7-178.8-78-178.5-15.500105.7P47 Q51P47-Q49 PolarHBondContact O-N 3.39Å; Q49-Q51 PolarHBondContact O-N 3.49Å
50R68.4Low80.4Confident241 Ų24193.7 Ų93.791%0.90949%0.49SS*.  trans-60.1105.1178.4-72.6-175.8176.1-177.40.9105.6P48 A52P48-R50 PolarHBondContact O-N 2.82Å; R50-A52 PolarHBondContact O-N 2.87Å
51Q82.6Confident81.3Confident125 Ų12589.2 Ų89.258%0.58447%0.469SS*.PPolyproline II helixtrans-48.5127.3-178.3-73.3178-11.600108.8Q49 V53Q49-Q51 PolarHBondContact O-N 3.49Å; Q51-V53 PolarHBondContact O-N 2.87Å
52A91.5Very high82.1Confident47 Ų4786.8 Ų86.839%0.38847%0.468SS..PPolyproline II helixtrans-58.2133.4179.200000109.2R50 Y54 A107R50-A52 PolarHBondContact O-N 2.87Å; A52-Y54 HydrophobicContact CB-CD2 4.45Å; A52-Y54 HydrophobicContact CB-CE2 3.6Å; A52-A107 HydrophobicContact CB-CB 4.47Å
53V94.8Very high82.8Confident10 Ų1084 Ų846%0.06145%0.445CS..PPolyproline II helixtrans-95.6126.4178.7-176.10000107.7Q51 T60 A107 V108 R180 V185Q51-V53 PolarHBondContact O-N 2.87Å; V53-T60 HydrophobicContact CB-CG2 4.3Å; V53-T60 HydrophobicContact CG1-CG2 4.37Å; V53-T60 HydrophobicContact CG2-CG2 4.04Å; V53-A107 CarbonylContact O-C 3.55Å; V53-A107 WeakPolarHBondContact O-CA 3.39Å; V53-V108 VanDerWaalsContact CB-O 3.26Å; V53-V108 WeakPolarHBondContact CB-O 3.46Å; V53-V108 WeakPolarHBondContact CG1-O 3.49Å; V53-V108 PolarHBondContact O-N 2.9Å; V53-R180 HydrophobicContact CG2-CB 4.49Å; V53-V185 HydrophobicContact CG1-CB 4.24Å; V53-V185 HydrophobicContact CG1-CG1 3.57Å
54Y96.6Very high83.7Confident74 Ų7482.6 Ų82.629%0.2944%0.438SS..  trans-115.3154.9174.6-63.1-81000109.7A52 R105 A107A52-Y54 HydrophobicContact CB-CD2 4.45Å; A52-Y54 HydrophobicContact CB-CE2 3.6Å; Y54-R105 WeakPolarHBondContact CE1-O 3.17Å; Y54-A107 HydrophobicContact CE1-CB 4.26Å
55C97.2Very high85Confident1 Ų177.3 Ų77.31%0.00740%0.402CS..THydrogen-bonded Turntrans-64149.3174.667.90000110.7D57 H100 V108 P186 C188C55-D57 PolarHBondContact O-N 3.06Å; C55-H100 HydrophobicContact CB-CB 3.5Å; C55-V108 HydrophobicContact CB-CG1 4.32Å; C55-P186 CarbonylContact C-O 3.24Å; C55-P186 WeakPolarHBondContact CA-O 3.39Å; C55-P186 HydrophobicContact CB-CG 4.43Å; C55-C188 HydrophobicContact CB-CB 4.07Å; C55-C188 WeakPolarHBondContact CB-SG 3.47Å; C55-C188 PolarHBondContact O-SG 2.88Å; C55-C188 WeakPolarHBondContact SG-CA 3.35Å; C55-C188 WeakPolarHBondContact SG-CB 3.22Å; C55-C188 CovalentContact SG-SG 2.05Å; C55-C188 PolarHBondContact SG-SG 3.04Å
56G97.6Very high86.1Confident0 Ų070.7 Ų70.70%038%0.381CS..THydrogen-bonded Turntrans63.113.1174.800000114.8P186 A266G56-P186 PolarHBondContact N-O 3.32Å; G56-A266 WeakPolarHBondContact CA-O 3.41Å; G56-A266 PolarHBondContact O-N 3.26Å
57D96.4Very high87.6Confident35 Ų3567 Ų6719%0.18736%0.358CS..  trans-121135.1-178.8-168.9-12.7000110.3C55 I59 V185C55-D57 PolarHBondContact O-N 3.06Å; D57-I59 WeakPolarHBondContact OD1-CB 3.36Å; D57-I59 WeakPolarHBondContact OD1-CG2 3.24Å; D57-I59 PolarHBondContact OD1-N 3.23Å; D57-V185 WeakPolarHBondContact O-CG2 3.24Å
58T95.7Very high89.2Confident1 Ų162.3 Ų62.31%0.00633%0.326CS..  trans-114.22.6-176.157.50000113.6T60 F61 R63 L65 Y68 P79 W80T58-T60 PolarHBondContact O-N 3.45Å; T58-F61 WeakPolarHBondContact O-CB 3.48Å; T58-F61 PolarHBondContact O-N 3.12Å; T58-R63 CarbonylContact C-O 3.6Å; T58-R63 PolarHBondContact OG1-O 2.93Å; T58-R63 VanDerWaalsContact OG1-O 3.08Å; T58-L65 HydrophobicContact CG2-CD2 3.69Å; T58-L65 PolarHBondContact OG1-N 3.24Å; T58-Y68 HydrophobicContact CG2-CE2 3.76Å; T58-P79 HydrophobicContact CG2-CG 3.68Å; T58-W80 HydrophobicContact CG2-CZ3 4.34Å
59I94Very high90.8Very high101 Ų10158.7 Ų58.752%0.51830%0.302SS..G310 helixtrans-55.6-30.2178.9-164.2167.3000112.6D57 F61 G62 R63D57-I59 WeakPolarHBondContact OD1-CB 3.36Å; D57-I59 WeakPolarHBondContact OD1-CG2 3.24Å; D57-I59 PolarHBondContact OD1-N 3.23Å; I59-F61 PolarHBondContact O-N 3.38Å; I59-G62 WeakPolarHBondContact O-CA 3.47Å; I59-G62 PolarHBondContact O-N 3.12Å; I59-R63 PolarHBondContact N-O 3.08Å
60T93.4Very high92.2Very high10 Ų1054 Ų546%0.06129%0.285CS..G310 helixtrans-60.3-29.5178.468.40000111.8V53 T58 G62 R180V53-T60 HydrophobicContact CB-CG2 4.3Å; V53-T60 HydrophobicContact CG1-CG2 4.37Å; V53-T60 HydrophobicContact CG2-CG2 4.04Å; T58-T60 PolarHBondContact O-N 3.45Å; T60-G62 VanDerWaalsContact C-N 3.32Å; T60-R180 VanDerWaalsContact CB-CZ 3.46Å; T60-R180 PolarHBondContact O-NE 3.31Å; T60-R180 PolarHBondContact O-NH2 2.93Å; T60-R180 PolarHBondContact OG1-NE 3.41Å; T60-R180 PolarHBondContact OG1-NH1 2.68Å
61F93.4Very high92.9Very high50 Ų5045.1 Ų45.122%0.21927%0.269CS..G310 helixtrans-85.65.4172.6-65.5-72000113.9T58 I59 R63 P79 V185T58-F61 WeakPolarHBondContact O-CB 3.48Å; T58-F61 PolarHBondContact O-N 3.12Å; I59-F61 PolarHBondContact O-N 3.38Å; F61-R63 PolarHBondContact O-N 2.95Å; F61-P79 HydrophobicContact CE2-CB 3.73Å; F61-P79 HydrophobicContact CE2-CG 4.09Å; F61-P79 HydrophobicContact CZ-CB 4.3Å; F61-V185 HydrophobicContact CE2-CG1 3.75Å; F61-V185 HydrophobicContact CE2-CG2 4.11Å; F61-V185 HydrophobicContact CZ-CG1 4.28Å
62G92.3Very high92.7Very high72 Ų7246.4 Ų46.474%0.74228%0.28SS*.THydrogen-bonded Turntrans66.827-17300000112.9I59 T60I59-G62 WeakPolarHBondContact O-CA 3.47Å; I59-G62 PolarHBondContact O-N 3.12Å; T60-G62 VanDerWaalsContact C-N 3.32Å
63R91.4Very high91.9Very high62 Ų6248.9 Ų48.923%0.23429%0.286CS..  trans-131.4150.4-174.3-69.3-179.975.5155.20.6111.5T58 I59 F61 S67 Y68 N73 D76T58-R63 CarbonylContact C-O 3.6Å; T58-R63 PolarHBondContact OG1-O 2.93Å; T58-R63 VanDerWaalsContact OG1-O 3.08Å; I59-R63 PolarHBondContact N-O 3.08Å; F61-R63 PolarHBondContact O-N 2.95Å; R63-S67 PolarHBondContact NE-OG 3.47Å; R63-S67 PolarHBondContact NH2-O 2.81Å; R63-Y68 HydrophobicContact CB-CE2 4.06Å; R63-N73 PolarHBondContact NH2-O 2.9Å; R63-D76 IonicContact CZ-OD2 3.41Å; R63-D76 IonicContact NH1-OD2 3.99Å; R63-D76 PolarHBondContact NH1-OD2 3.38Å; R63-D76 IonicContact NH2-OD2 3.6Å; R63-D76 PolarHBondContact NH2-OD2 2.83Å; R63-D76 VanDerWaalsContact NH2-OD2 3.13Å
64S93.9Very high91.2Very high70 Ų7049.9 Ų49.949%0.4930%0.295SS..  trans-90157.3167.569.10000110.5Q66 S67 Y68S64-Q66 PolarHBondContact O-N 2.99Å; S64-S67 WeakPolarHBondContact O-CB 3.19Å; S64-S67 PolarHBondContact O-N 2.98Å; S64-S67 VanDerWaalsContact O-N 3.14Å; S64-S67 PolarHBondContact O-OG 3.43Å; S64-S67 PolarHBondContact OG-N 3.4Å; S64-Y68 WeakPolarHBondContact O-CD2 3.32Å
65L95.6Very high90.5Very high9 Ų952 Ų525%0.04731%0.308CS..G310 helixtrans-58.3-38.3174.4-70.5172.7000112.3T58 S67 Y68 W80 I261 G264 A266T58-L65 HydrophobicContact CG2-CD2 3.69Å; T58-L65 PolarHBondContact OG1-N 3.24Å; L65-S67 PolarHBondContact O-N 3.37Å; L65-Y68 PolarHBondContact O-N 3Å; L65-W80 HydrophobicContact CD2-CH2 3.63Å; L65-W80 HydrophobicContact CD2-CZ3 4.24Å; L65-I261 HydrophobicContact CB-CD1 3.83Å; L65-I261 HydrophobicContact CB-CG1 4.41Å; L65-I261 HydrophobicContact CD1-CG1 4.24Å; L65-I261 HydrophobicContact CD1-CG2 3.94Å; L65-G264 VanDerWaalsContact CD1-O 3.23Å; L65-G264 WeakPolarHBondContact CD1-O 3.28Å; L65-A266 HydrophobicContact CD1-CB 3.96Å; L65-A266 HydrophobicContact CD2-CB 4.02Å
66Q93Very high90.2Very high84 Ų8454.6 Ų54.639%0.39332%0.322SS..G310 helixtrans-63.8-29.3-179.9-159.564.416.900112.4S64 Y68 V69 V70S64-Q66 PolarHBondContact O-N 2.99Å; Q66-Y68 PolarHBondContact O-N 2.91Å; Q66-Y68 VanDerWaalsContact O-N 3.16Å; Q66-V69 VanDerWaalsContact O-CG2 3.32Å; Q66-V69 WeakPolarHBondContact O-CG2 3.41Å; Q66-V69 PolarHBondContact O-N 2.78Å; Q66-V69 VanDerWaalsContact O-N 3.08Å; Q66-V70 HydrophobicContact CG-CB 4.22Å; Q66-V70 HydrophobicContact CG-CG2 4.06Å; Q66-V70 PolarHBondContact O-N 2.87Å
67S92.9Very high90Very high18 Ų1855 Ų5513%0.12632%0.324CS..G310 helixtrans-66.7-13.2179.776.50000114.6R63 S64 L65 N73R63-S67 PolarHBondContact NE-OG 3.47Å; R63-S67 PolarHBondContact NH2-O 2.81Å; S64-S67 WeakPolarHBondContact O-CB 3.19Å; S64-S67 PolarHBondContact O-N 2.98Å; S64-S67 VanDerWaalsContact O-N 3.14Å; S64-S67 PolarHBondContact O-OG 3.43Å; S64-S67 PolarHBondContact OG-N 3.4Å; L65-S67 PolarHBondContact O-N 3.37Å; S67-N73 CarbonylContact O-C 3.57Å; S67-N73 VanDerWaalsContact O-CB 3.22Å; S67-N73 WeakPolarHBondContact O-CB 3.17Å
68Y94.4Very high90.1Very high10 Ų1053.4 Ų53.44%0.03932%0.315CS..G310 helixtrans-85.8-16.7174.9-68.5-92.7000112.6T58 R63 S64 L65 Q66 A74 D76 M77 F78T58-Y68 HydrophobicContact CG2-CE2 3.76Å; R63-Y68 HydrophobicContact CB-CE2 4.06Å; S64-Y68 WeakPolarHBondContact O-CD2 3.32Å; L65-Y68 PolarHBondContact O-N 3Å; Q66-Y68 PolarHBondContact O-N 2.91Å; Q66-Y68 VanDerWaalsContact O-N 3.16Å; Y68-A74 WeakPolarHBondContact O-CA 3.15Å; Y68-D76 HydrophobicContact CD1-CB 4.08Å; Y68-D76 HydrophobicContact CE1-CB 4.25Å; Y68-M77 WeakPolarHBondContact CD1-O 3.28Å; Y68-M77 VanDerWaalsContact CE1-O 3.26Å; Y68-M77 WeakPolarHBondContact CE1-O 3.48Å; Y68-F78 HydrophobicContact CD1-CD1 4.47Å; Y68-F78 HydrophobicContact CD2-CD1 4.34Å; Y68-F78 HydrophobicContact CD2-CE1 4.47Å; Y68-F78 AromaticContact CG-CD1 3.97Å; Y68-F78 HydrophobicContact CG-CD1 3.97Å; Y68-F78 HydrophobicContact CG-CE1 4.23Å
69V92.5Very high90.1Very high31 Ų3153.6 Ų53.619%0.18832%0.316CS..THydrogen-bonded Turntrans-124.5-13.6-171.8-690000113.2Q66 F78 Y203 E216Q66-V69 VanDerWaalsContact O-CG2 3.32Å; Q66-V69 WeakPolarHBondContact O-CG2 3.41Å; Q66-V69 PolarHBondContact O-N 2.78Å; Q66-V69 VanDerWaalsContact O-N 3.08Å; V69-F78 HydrophobicContact CG1-CE1 4.3Å; V69-F78 HydrophobicContact CG1-CE2 4.11Å; V69-F78 HydrophobicContact CG1-CZ 3.58Å; V69-Y203 HydrophobicContact CB-CD1 4.34Å; V69-Y203 HydrophobicContact CB-CE1 3.76Å; V69-Y203 HydrophobicContact CG1-CD1 3.75Å; V69-Y203 HydrophobicContact CG1-CE1 3.67Å; V69-Y203 HydrophobicContact CG1-CE2 4.46Å; V69-Y203 HydrophobicContact CG1-CG 4.19Å; V69-Y203 HydrophobicContact CG2-CE1 4.07Å; V69-Y203 HydrophobicContact CG2-CE2 4.38Å; V69-E216 HydrophobicContact CG1-CB 3.95Å; V69-E216 HydrophobicContact CG1-CG 4.28Å
70V88Confident90.3Very high83 Ų8348.8 Ų48.850%0.50329%0.292SS..SBendtrans-126.5139179.8174.90000111.8Q66Q66-V70 HydrophobicContact CG-CB 4.22Å; Q66-V70 HydrophobicContact CG-CG2 4.06Å; Q66-V70 PolarHBondContact O-N 2.87Å
71G84.7Confident90.6Very high54 Ų5448.3 Ų48.356%0.55729%0.289SS*.SBendtrans76.8-167.9174.200000113.6N73 A74G71-N73 PolarHBondContact O-N 3.08Å; G71-N73 VanDerWaalsContact O-N 3.15Å; G71-A74 WeakPolarHBondContact O-CB 3.4Å; G71-A74 PolarHBondContact O-N 2.95Å
72N78Confident90.8Very high153 Ų15345.9 Ų45.982%0.81828%0.278SS*.THydrogen-bonded Turntrans-63-23.3-175.3-67-22.5000113.8A74N72-A74 VanDerWaalsContact C-N 3.26Å; N72-A74 PolarHBondContact O-N 2.82Å
73N74.8Confident91.1Very high99 Ų9942.7 Ų42.753%0.52924%0.244SC..THydrogen-bonded Turntrans-79-6.2177.9-70.3-23000113.4R63 S67 G71 Q75 D76R63-N73 PolarHBondContact NH2-O 2.9Å; S67-N73 CarbonylContact O-C 3.57Å; S67-N73 VanDerWaalsContact O-CB 3.22Å; S67-N73 WeakPolarHBondContact O-CB 3.17Å; G71-N73 PolarHBondContact O-N 3.08Å; G71-N73 VanDerWaalsContact O-N 3.15Å; N73-Q75 PolarHBondContact O-N 3.31Å; N73-D76 PolarHBondContact O-N 2.86Å
74A79.7Confident91.4Very high30 Ų3039.7 Ų39.725%0.24823%0.233CC..THydrogen-bonded Turntrans-69.314.2173.700000113.6Y68 G71 N72 D76Y68-A74 WeakPolarHBondContact O-CA 3.15Å; G71-A74 WeakPolarHBondContact O-CB 3.4Å; G71-A74 PolarHBondContact O-N 2.95Å; N72-A74 VanDerWaalsContact C-N 3.26Å; N72-A74 PolarHBondContact O-N 2.82Å; A74-D76 VanDerWaalsContact C-N 3.32Å
75Q81.9Confident91.5Very high118 Ų11836.4 Ų36.455%0.55121%0.21SC*.THydrogen-bonded Turntrans-84.5-9.6171.4-63.9-170.55.500113.5N73 R213N73-Q75 PolarHBondContact O-N 3.31Å; Q75-R213 VanDerWaalsContact CA-NH2 3.34Å; Q75-R213 PolarHBondContact O-NH2 3.08Å; Q75-R213 VanDerWaalsContact O-NH2 3.15Å
76D90.1Very high91.5Very high56 Ų5637 Ų3730%0.29921%0.214SC..SBendtrans-98.9145.5177.1-68.7-59.9000111.4R63 Y68 N73 A74R63-D76 IonicContact CZ-OD2 3.41Å; R63-D76 IonicContact NH1-OD2 3.99Å; R63-D76 PolarHBondContact NH1-OD2 3.38Å; R63-D76 IonicContact NH2-OD2 3.6Å; R63-D76 PolarHBondContact NH2-OD2 2.83Å; R63-D76 VanDerWaalsContact NH2-OD2 3.13Å; Y68-D76 HydrophobicContact CD1-CB 4.08Å; Y68-D76 HydrophobicContact CE1-CB 4.25Å; N73-D76 PolarHBondContact O-N 2.86Å; A74-D76 VanDerWaalsContact C-N 3.32Å
77M94.3Very high91.6Very high10 Ų1039.3 Ų39.35%0.04922%0.219CC..PPolyproline II helixtrans-83.2158.2176.172.1176.5-162.600111.6Y68 N81 G134 S135 P136 I214 E216Y68-M77 WeakPolarHBondContact CD1-O 3.28Å; Y68-M77 VanDerWaalsContact CE1-O 3.26Å; Y68-M77 WeakPolarHBondContact CE1-O 3.48Å; M77-N81 HydrophobicContact CE-CB 4.28Å; M77-N81 WeakPolarHBondContact CE-O 3.44Å; M77-N81 HydrophobicContact CG-CB 4.45Å; M77-N81 HydrophobicContact SD-CB 3.9Å; M77-G134 VanDerWaalsContact CE-N 3.32Å; M77-S135 VanDerWaalsContact SD-O 3.36Å; M77-P136 HydrophobicContact CB-CB 4.12Å; M77-P136 HydrophobicContact CG-CB 4.18Å; M77-I214 HydrophobicContact CB-CB 4.07Å; M77-I214 HydrophobicContact CB-CG2 3.6Å; M77-I214 HydrophobicContact SD-CB 4.2Å; M77-I214 HydrophobicContact SD-CD1 3.53Å; M77-I214 VanDerWaalsContact SD-CD1 3.53Å; M77-I214 HydrophobicContact SD-CG1 4.44Å; M77-I214 HydrophobicContact SD-CG2 4.33Å; M77-E216 VanDerWaalsContact CA-OE1 3.23Å; M77-E216 WeakPolarHBondContact CA-OE1 3.49Å
78F97.3Very high91.5Very high0 Ų044.3 Ų44.30%025%0.248CC..PPolyproline II helixtrans-58.2139.7168.1-71.2-54.7000112.3Y68 V69 W80 N81 Y203 E216Y68-F78 HydrophobicContact CD1-CD1 4.47Å; Y68-F78 HydrophobicContact CD2-CD1 4.34Å; Y68-F78 HydrophobicContact CD2-CE1 4.47Å; Y68-F78 AromaticContact CG-CD1 3.97Å; Y68-F78 HydrophobicContact CG-CD1 3.97Å; Y68-F78 HydrophobicContact CG-CE1 4.23Å; V69-F78 HydrophobicContact CG1-CE1 4.3Å; V69-F78 HydrophobicContact CG1-CE2 4.11Å; V69-F78 HydrophobicContact CG1-CZ 3.58Å; F78-W80 VanDerWaalsContact C-N 3.25Å; F78-W80 HydrophobicContact CB-CD2 4.09Å; F78-W80 HydrophobicContact CB-CH2 4.26Å; F78-W80 HydrophobicContact CB-CZ2 3.49Å; F78-W80 VanDerWaalsContact CB-CZ2 3.49Å; F78-W80 AromaticContact CD1-CH2 3.84Å; F78-W80 HydrophobicContact CD1-CH2 3.84Å; F78-W80 AromaticContact CD1-CZ2 3.49Å; F78-W80 HydrophobicContact CD1-CZ2 3.49Å; F78-W80 VanDerWaalsContact CD1-CZ2 3.49Å; F78-W80 AromaticContact CD2-CZ2 3.89Å; F78-W80 HydrophobicContact CD2-CZ2 3.89Å; F78-W80 HydrophobicContact CE1-CH2 4.42Å; F78-W80 HydrophobicContact CE1-CZ2 4.14Å; F78-W80 HydrophobicContact CE2-CZ2 4.47Å; F78-W80 AromaticContact CG-CE2 3.77Å; F78-W80 HydrophobicContact CG-CH2 4.14Å; F78-W80 AromaticContact CG-CZ2 3.36Å; F78-W80 HydrophobicContact CG-CZ2 3.36Å; F78-W80 AromaticContact CG-NE1 3.91Å; F78-W80 PolarHBondContact O-N 2.83Å; F78-W80 VanDerWaalsContact O-N 3.13Å; F78-N81 PolarHBondContact N-ND2 2.86Å; F78-N81 VanDerWaalsContact O-CB 3.29Å; F78-N81 WeakPolarHBondContact O-CB 3.37Å; F78-N81 PolarHBondContact O-N 3.14Å; F78-N81 PolarHBondContact O-ND2 2.94Å; F78-Y203 HydrophobicContact CE2-CD2 4.48Å; F78-Y203 HydrophobicContact CE2-CG 4.31Å; F78-Y203 HydrophobicContact CZ-CD2 4.32Å; F78-Y203 HydrophobicContact CZ-CG 4.48Å; F78-E216 HydrophobicContact CD2-CG 3.38Å; F78-E216 HydrophobicContact CE2-CB 4.29Å; F78-E216 HydrophobicContact CE2-CG 3.43Å; F78-E216 VanDerWaalsContact CE2-CG 3.43Å; F78-E216 HydrophobicContact CG-CG 4.25Å; F78-E216 HydrophobicContact CZ-CG 4.31Å; F78-E216 PolarHBondContact N-OE1 3.26Å
79P97.1Very high91.3Very high5 Ų553.2 Ų53.23%0.03228%0.282CS..THydrogen-bonded Turntrans-75.5-4.1-168.429.2-36.9000115.3T58 F61 V184 V185T58-P79 HydrophobicContact CG2-CG 3.68Å; F61-P79 HydrophobicContact CE2-CB 3.73Å; F61-P79 HydrophobicContact CE2-CG 4.09Å; F61-P79 HydrophobicContact CZ-CB 4.3Å; P79-V184 WeakPolarHBondContact O-CA 3.16Å; P79-V184 WeakPolarHBondContact O-CB 3.42Å; P79-V184 WeakPolarHBondContact O-CG1 3.38Å; P79-V185 CarbonylContact C-O 3.41Å; P79-V185 HydrophobicContact CB-CG2 3.89Å; P79-V185 HydrophobicContact CG-CG2 3.38Å; P79-V185 PolarHBondContact O-N 3.5Å
80W98.3Very high91.3Very high0 Ų051.8 Ų51.80%027%0.273CS..THydrogen-bonded Turntrans-91.4-10.417042.677.4000112.7T58 L65 F78 V82 S97 L98 V185 V187 V259 A266T58-W80 HydrophobicContact CG2-CZ3 4.34Å; L65-W80 HydrophobicContact CD2-CH2 3.63Å; L65-W80 HydrophobicContact CD2-CZ3 4.24Å; F78-W80 VanDerWaalsContact C-N 3.25Å; F78-W80 HydrophobicContact CB-CD2 4.09Å; F78-W80 HydrophobicContact CB-CH2 4.26Å; F78-W80 HydrophobicContact CB-CZ2 3.49Å; F78-W80 VanDerWaalsContact CB-CZ2 3.49Å; F78-W80 AromaticContact CD1-CH2 3.84Å; F78-W80 HydrophobicContact CD1-CH2 3.84Å; F78-W80 AromaticContact CD1-CZ2 3.49Å; F78-W80 HydrophobicContact CD1-CZ2 3.49Å; F78-W80 VanDerWaalsContact CD1-CZ2 3.49Å; F78-W80 AromaticContact CD2-CZ2 3.89Å; F78-W80 HydrophobicContact CD2-CZ2 3.89Å; F78-W80 HydrophobicContact CE1-CH2 4.42Å; F78-W80 HydrophobicContact CE1-CZ2 4.14Å; F78-W80 HydrophobicContact CE2-CZ2 4.47Å; F78-W80 AromaticContact CG-CE2 3.77Å; F78-W80 HydrophobicContact CG-CH2 4.14Å; F78-W80 AromaticContact CG-CZ2 3.36Å; F78-W80 HydrophobicContact CG-CZ2 3.36Å; F78-W80 AromaticContact CG-NE1 3.91Å; F78-W80 PolarHBondContact O-N 2.83Å; F78-W80 VanDerWaalsContact O-N 3.13Å; W80-V82 PolarHBondContact O-N 2.84Å; W80-S97 CarbonylContact O-C 3.55Å; W80-S97 WeakPolarHBondContact O-CA 3.32Å; W80-L98 HydrophobicContact CB-CB 4.38Å; W80-L98 WeakPolarHBondContact CB-O 3.33Å; W80-L98 PolarHBondContact O-N 3.11Å; W80-V185 WeakPolarHBondContact CA-O 3.46Å; W80-V185 WeakPolarHBondContact CB-O 3.45Å; W80-V185 HydrophobicContact CE3-CG2 4.37Å; W80-V185 PolarHBondContact N-O 3.15Å; W80-V187 HydrophobicContact CB-CB 4.05Å; W80-V187 HydrophobicContact CB-CG1 4.42Å; W80-V187 HydrophobicContact CD2-CB 3.62Å; W80-V187 HydrophobicContact CD2-CG2 4.02Å; W80-V187 HydrophobicContact CE3-CB 3.92Å; W80-V187 HydrophobicContact CE3-CG2 4.29Å; W80-V187 HydrophobicContact CG-CB 3.68Å; W80-V187 HydrophobicContact CG-CG1 4.27Å; W80-V187 HydrophobicContact CG-CG2 4.44Å; W80-V187 HydrophobicContact CZ2-CG2 4.38Å; W80-V259 HydrophobicContact CZ2-CG1 3.78Å; W80-V259 HydrophobicContact CZ2-CG2 4.48Å; W80-A266 HydrophobicContact CH2-CB 3.29Å; W80-A266 HydrophobicContact CZ2-CB 3.79Å; W80-A266 HydrophobicContact CZ3-CB 3.99Å
81N98.4Very high91.5Very high0 Ų048.4 Ų48.40%025%0.253CS..EExtended strand (participates in β ladder)trans-66.6134.4-174.6-67.8-19.4000111M77 F78 T205 I214 E216M77-N81 HydrophobicContact CE-CB 4.28Å; M77-N81 WeakPolarHBondContact CE-O 3.44Å; M77-N81 HydrophobicContact CG-CB 4.45Å; M77-N81 HydrophobicContact SD-CB 3.9Å; F78-N81 PolarHBondContact N-ND2 2.86Å; F78-N81 VanDerWaalsContact O-CB 3.29Å; F78-N81 WeakPolarHBondContact O-CB 3.37Å; F78-N81 PolarHBondContact O-N 3.14Å; F78-N81 PolarHBondContact O-ND2 2.94Å; N81-T205 HydrophobicContact CB-CG2 4.28Å; N81-T205 VanDerWaalsContact ND2-CG2 3.33Å; N81-T205 WeakPolarHBondContact ND2-CG2 3.04Å; N81-T205 PolarHBondContact ND2-OG1 3.36Å; N81-T205 PolarHBondContact OD1-OG1 3.08Å; N81-I214 HydrophobicContact CB-CD1 4.31Å; N81-E216 PolarHBondContact ND2-OE1 2.88Å
82V98.4Very high92Very high0 Ų046 Ų460%023%0.228CC..EExtended strand (participates in β ladder)trans-128.2146.7174.1-49.50000111.7W80 I95 G96 V114 V131 Y132 A133W80-V82 PolarHBondContact O-N 2.84Å; V82-I95 CarbonylContact O-C 3.52Å; V82-I95 WeakPolarHBondContact O-CA 3.49Å; V82-G96 PolarHBondContact N-O 3.49Å; V82-G96 PolarHBondContact O-N 2.63Å; V82-V114 HydrophobicContact CG1-CG2 4.36Å; V82-V114 HydrophobicContact CG2-CG1 3.57Å; V82-V114 HydrophobicContact CG2-CG2 4.18Å; V82-V131 HydrophobicContact CB-CG1 3.68Å; V82-V131 HydrophobicContact CG1-CG1 4.08Å; V82-V131 HydrophobicContact CG2-CG1 3.89Å; V82-Y132 CarbonylContact C-O 3.54Å; V82-Y132 VanDerWaalsContact CA-O 3.28Å; V82-Y132 WeakPolarHBondContact CA-O 3.23Å; V82-Y132 WeakPolarHBondContact CB-O 3.29Å; V82-A133 HydrophobicContact CB-CB 4.49Å; V82-A133 HydrophobicContact CG1-CB 3.86Å
83I98Very high92.9Very high4 Ų442.5 Ų42.52%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-104.3125.1175.3-58.6178.7000108.6T85 T92 I95 V131 Y132 F138 Y207 I214I83-T85 HydrophobicContact CG2-CG2 3.59Å; I83-T92 HydrophobicContact CG2-CG2 3.48Å; I83-T92 VanDerWaalsContact CG2-CG2 3.48Å; I83-I95 HydrophobicContact CG1-CD1 4.46Å; I83-V131 WeakPolarHBondContact O-CA 3.27Å; I83-Y132 PolarHBondContact N-O 3.03Å; I83-Y132 PolarHBondContact O-N 3.02Å; I83-F138 HydrophobicContact CD1-CB 3.26Å; I83-F138 HydrophobicContact CD1-CD1 4.2Å; I83-F138 HydrophobicContact CD1-CD2 4.21Å; I83-F138 HydrophobicContact CD1-CG 3.63Å; I83-F138 HydrophobicContact CG2-CD1 4.19Å; I83-F138 HydrophobicContact CG2-CE1 4.44Å; I83-F138 HydrophobicContact CG2-CG 4.41Å; I83-Y207 HydrophobicContact CD1-CD2 4.25Å; I83-I214 HydrophobicContact CD1-CD1 3.58Å; I83-I214 HydrophobicContact CD1-CG1 3.99Å; I83-I214 HydrophobicContact CG1-CD1 3.36Å; I83-I214 HydrophobicContact CG1-CG1 4.13Å
84I98Very high94Very high0 Ų037.8 Ų37.80%018%0.18CC..EExtended strand (participates in β ladder)trans-101.4124.1175.2-56.7168.6000108.9K93 C94 T116 L129 R130 V131 L172I84-K93 PolarHBondContact O-N 2.85Å; I84-C94 HydrophobicContact CB-CB 4.21Å; I84-C94 HydrophobicContact CD1-CB 4.29Å; I84-C94 PolarHBondContact N-O 3.35Å; I84-C94 PolarHBondContact O-N 2.78Å; I84-T116 HydrophobicContact CD1-CG2 3.61Å; I84-T116 WeakPolarHBondContact CD1-OG1 3.49Å; I84-L129 HydrophobicContact CG2-CB 4.29Å; I84-L129 HydrophobicContact CG2-CD1 4Å; I84-R130 WeakPolarHBondContact CA-O 3.39Å; I84-V131 HydrophobicContact CG1-CG2 4.41Å; I84-L172 HydrophobicContact CD1-CD1 3.96Å
85T97Very high94.9Very high0 Ų036.4 Ų36.40%017%0.169CC..EExtended strand (participates in β ladder)trans-130.5160.1-17269.90000111.9I83 S91 L129 R130 Y132 F138I83-T85 HydrophobicContact CG2-CG2 3.59Å; T85-S91 CarbonylContact C-O 3.59Å; T85-S91 VanDerWaalsContact CA-O 3.25Å; T85-S91 WeakPolarHBondContact CA-O 3.4Å; T85-L129 CarbonylContact O-C 3.42Å; T85-L129 WeakPolarHBondContact O-CA 3.15Å; T85-L129 WeakPolarHBondContact O-CD2 3.28Å; T85-R130 PolarHBondContact N-O 3.32Å; T85-R130 PolarHBondContact O-N 2.8Å; T85-R130 PolarHBondContact OG1-O 2.57Å; T85-Y132 HydrophobicContact CG2-CD2 3.95Å; T85-Y132 HydrophobicContact CG2-CE2 4.19Å; T85-Y132 VanDerWaalsContact OG1-CE2 3.28Å; T85-Y132 WeakPolarHBondContact OG1-CE2 3.48Å; T85-F138 HydrophobicContact CG2-CE1 3.64Å; T85-F138 HydrophobicContact CG2-CE2 4.34Å; T85-F138 HydrophobicContact CG2-CZ 3.54Å
86T95.7Very high95.7Very high22 Ų2230.8 Ų30.814%0.13514%0.142CC..EExtended strand (participates in β ladder)trans-69.7138.3166.159.20000111.4V88 G90 S91 K93 L129T86-V88 PolarHBondContact O-N 3.17Å; T86-G90 WeakPolarHBondContact O-CA 3.4Å; T86-G90 PolarHBondContact O-N 2.7Å; T86-G90 PolarHBondContact OG1-N 3.4Å; T86-S91 PolarHBondContact N-O 3.05Å; T86-S91 PolarHBondContact OG1-N 3.49Å; T86-S91 VanDerWaalsContact OG1-N 3.08Å; T86-K93 HydrophobicContact CG2-CD 4.37Å; T86-K93 HydrophobicContact CG2-CG 3.99Å; T86-L129 HydrophobicContact CG2-CD2 4.34Å
87R93.3Very high96.1Very high133 Ų13328.1 Ų28.150%0.50213%0.128SC..THydrogen-bonded Turntrans-58.2-45.3-177.1177.4-174.1178158.5-1.9113R128 R130R87-R128 WeakPolarHBondContact CB-O 3.49Å; R87-R128 PolarHBondContact N-O 3.13Å; R87-R130 HydrophobicContact CB-CG 4.36Å; R87-R130 VanDerWaalsContact CD-NH2 3.33Å; R87-R130 HydrophobicContact CG-CG 4.49Å; R87-R130 VanDerWaalsContact NE-NH2 3.18Å
88V90.8Very high96.2Very high123 Ų12327.6 Ų27.675%0.74513%0.126SC*.THydrogen-bonded Turntrans-83.4-64.4-171.1-177.90000110.3T86 G90 R143T86-V88 PolarHBondContact O-N 3.17Å; V88-G90 VanDerWaalsContact C-N 3.27Å; V88-G90 PolarHBondContact O-N 3.12Å; V88-R143 PolarHBondContact O-NH2 3.45Å; V88-R143 VanDerWaalsContact O-NH2 3.07Å
89R91.1Very high96.2Very high197 Ų19727.6 Ų27.674%0.74313%0.126SC*.THydrogen-bonded Turntrans-73.5-15-176.6-67.5-175176.1157.80.2114S91R89-S91 WeakPolarHBondContact CB-OG 3.26Å; R89-S91 PolarHBondContact O-N 2.81Å; R89-S91 VanDerWaalsContact O-N 3.12Å
90G92Very high96.1Very high0 Ų028.1 Ų28.10%013%0.127CC..  trans63.913.8-173.900000113.4T86 V88 T92T86-G90 WeakPolarHBondContact O-CA 3.4Å; T86-G90 PolarHBondContact O-N 2.7Å; T86-G90 PolarHBondContact OG1-N 3.4Å; V88-G90 VanDerWaalsContact C-N 3.27Å; V88-G90 PolarHBondContact O-N 3.12Å; G90-T92 PolarHBondContact O-N 3.46Å
91S93Very high95.6Very high12 Ų1233.2 Ų33.28%0.08415%0.15CC..  trans-67.4124.4-178.9-48.70000110.4T85 T86 R89 K93T85-S91 CarbonylContact C-O 3.59Å; T85-S91 VanDerWaalsContact CA-O 3.25Å; T85-S91 WeakPolarHBondContact CA-O 3.4Å; T86-S91 PolarHBondContact N-O 3.05Å; T86-S91 PolarHBondContact OG1-N 3.49Å; T86-S91 VanDerWaalsContact OG1-N 3.08Å; R89-S91 WeakPolarHBondContact CB-OG 3.26Å; R89-S91 PolarHBondContact O-N 2.81Å; R89-S91 VanDerWaalsContact O-N 3.12Å; S91-K93 PolarHBondContact O-N 2.81Å
92T95.9Very high95.1Very high5 Ų534.7 Ų34.73%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-60.4131170.3-49.80000110.7I83 G90 Y207 I252I83-T92 HydrophobicContact CG2-CG2 3.48Å; I83-T92 VanDerWaalsContact CG2-CG2 3.48Å; G90-T92 PolarHBondContact O-N 3.46Å; T92-Y207 HydrophobicContact CG2-CD1 3.96Å; T92-Y207 HydrophobicContact CG2-CE1 4.35Å; T92-Y207 HydrophobicContact CG2-CG 4.12Å; T92-I252 HydrophobicContact CG2-CD1 3.58Å; T92-I252 HydrophobicContact CG2-CG2 4.45Å
93K95.5Very high94.7Very high78 Ų7840.1 Ų40.134%0.33919%0.19SC..EExtended strand (participates in β ladder)trans-115.2-45.5180-66.5-57.5-177.5-178.80111.7I84 T86 S91 I252I84-K93 PolarHBondContact O-N 2.85Å; T86-K93 HydrophobicContact CG2-CD 4.37Å; T86-K93 HydrophobicContact CG2-CG 3.99Å; S91-K93 PolarHBondContact O-N 2.81Å; K93-I252 VanDerWaalsContact O-CG2 3.29Å; K93-I252 WeakPolarHBondContact O-CG2 3.45Å
94C98Very high94.4Very high1 Ų142.6 Ų42.61%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-148.1164.2-172.3-40.30000109.8I84 C120 L254I84-C94 HydrophobicContact CB-CB 4.21Å; I84-C94 HydrophobicContact CD1-CB 4.29Å; I84-C94 PolarHBondContact N-O 3.35Å; I84-C94 PolarHBondContact O-N 2.78Å; C94-C120 HydrophobicContact CB-CB 3.89Å; C94-C120 WeakPolarHBondContact CB-SG 3.39Å; C94-C120 WeakPolarHBondContact SG-CA 3.08Å; C94-C120 WeakPolarHBondContact SG-CB 3.49Å; C94-C120 CovalentContact SG-SG 2.02Å; C94-C120 PolarHBondContact SG-SG 3.16Å; C94-L254 VanDerWaalsContact CA-O 3.28Å; C94-L254 WeakPolarHBondContact CA-O 3.37Å; C94-L254 VanDerWaalsContact CB-O 3.23Å; C94-L254 WeakPolarHBondContact CB-O 3.28Å
95I98.1Very high94.1Very high0 Ų052 Ų520%024%0.237CC..EExtended strand (participates in β ladder)trans-100.9163.2164-53-57.2000107.9V82 I83 T116 T205 L254 G255 S256V82-I95 CarbonylContact O-C 3.52Å; V82-I95 WeakPolarHBondContact O-CA 3.49Å; I83-I95 HydrophobicContact CG1-CD1 4.46Å; I95-T116 WeakPolarHBondContact O-CB 3.19Å; I95-T116 PolarHBondContact O-OG1 3.15Å; I95-T205 HydrophobicContact CG2-CG2 3.87Å; I95-L254 PolarHBondContact N-O 3.48Å; I95-G255 CarbonylContact O-C 3.53Å; I95-G255 VanDerWaalsContact O-C 3.24Å; I95-G255 WeakPolarHBondContact O-CA 3.25Å; I95-G255 VanDerWaalsContact O-O 3.12Å; I95-S256 VanDerWaalsContact CB-OG 3.27Å; I95-S256 WeakPolarHBondContact CB-OG 3.44Å; I95-S256 WeakPolarHBondContact CG1-OG 3.28Å
96G98.3Very high93.9Very high0 Ų057.1 Ų57.10%026%0.261CS..EExtended strand (participates in β ladder)trans-155-175.1166.100000110.6V82 L115V82-G96 PolarHBondContact N-O 3.49Å; V82-G96 PolarHBondContact O-N 2.63Å; G96-L115 CarbonylContact C-O 3.42Å; G96-L115 WeakPolarHBondContact CA-O 3.5Å
97S98.5Very high93.8Very high0 Ų059 Ų590%028%0.278CS..EExtended strand (participates in β ladder)trans-130.8138.2177.749.30000111.3W80 V114 L115 Q268W80-S97 CarbonylContact O-C 3.55Å; W80-S97 WeakPolarHBondContact O-CA 3.32Å; S97-V114 CarbonylContact O-C 3.53Å; S97-V114 WeakPolarHBondContact O-CA 3.46Å; S97-L115 PolarHBondContact N-O 2.75Å; S97-L115 PolarHBondContact O-N 3.21Å; S97-Q268 PolarHBondContact OG-NE2 2.91Å; S97-Q268 VanDerWaalsContact OG-NE2 3.15Å; S97-Q268 PolarHBondContact OG-OE1 3.32Å
98L98.1Very high93.8Very high0 Ų053.2 Ų53.20%026%0.258CS..EExtended strand (participates in β ladder)trans-75.2125164.2-167.571.9000108.8W80 V113 V114 L174 L178 V184 P186 V187W80-L98 HydrophobicContact CB-CB 4.38Å; W80-L98 WeakPolarHBondContact CB-O 3.33Å; W80-L98 PolarHBondContact O-N 3.11Å; L98-V113 WeakPolarHBondContact CA-O 3.41Å; L98-V114 HydrophobicContact CD1-CG2 4.07Å; L98-L174 HydrophobicContact CD1-CD1 4.31Å; L98-L178 HydrophobicContact CD1-CD1 4.34Å; L98-L178 HydrophobicContact CD2-CB 4.12Å; L98-V184 HydrophobicContact CD2-CB 4.15Å; L98-V184 HydrophobicContact CD2-CG2 3.76Å; L98-P186 HydrophobicContact CG-CB 4.36Å; L98-P186 CarbonylContact O-C 3.14Å; L98-P186 VanDerWaalsContact O-CA 3.26Å; L98-P186 WeakPolarHBondContact O-CA 3.46Å; L98-V187 PolarHBondContact O-N 2.89Å
99V96.9Very high93.9Very high0 Ų052.5 Ų52.50%025%0.25CC..BIsolated β-bridgetrans-120.2151.2-172.8-65.30000112.8S111 V113 L115 V187 L189 Q268V99-S111 WeakPolarHBondContact O-CB 3.12Å; V99-S111 PolarHBondContact O-OG 3.18Å; V99-V113 HydrophobicContact CG2-CB 3.94Å; V99-V113 HydrophobicContact CG2-CG1 3.59Å; V99-V113 PolarHBondContact N-O 2.83Å; V99-L115 HydrophobicContact CB-CD1 4.37Å; V99-L115 HydrophobicContact CB-CG 4.44Å; V99-L115 HydrophobicContact CG1-CB 4.4Å; V99-L115 HydrophobicContact CG1-CD1 3.68Å; V99-L115 HydrophobicContact CG1-CG 3.82Å; V99-L115 HydrophobicContact CG2-CD1 4.04Å; V99-L115 HydrophobicContact CG2-CD2 4.41Å; V99-L115 HydrophobicContact CG2-CG 3.78Å; V99-V187 HydrophobicContact CG1-CG1 3.81Å; V99-L189 HydrophobicContact CB-CD2 4.04Å; V99-L189 HydrophobicContact CB-CG 4.39Å; V99-L189 HydrophobicContact CG1-CD2 3.84Å; V99-Q268 VanDerWaalsContact CG1-OE1 3.29Å
100H93.9Very high94Very high15 Ų1545 Ų457%0.06923%0.228CC..  trans-95.9129.6168.2-17856.2000109.2C55 G102 H103 V108 P186 V187C55-H100 HydrophobicContact CB-CB 3.5Å; H100-G102 VanDerWaalsContact CD2-C 3.45Å; H100-G102 PolarHBondContact CD2-N 2.89Å; H100-G102 PolarHBondContact CD2-O 3.29Å; H100-G102 VanDerWaalsContact CD2-O 3.27Å; H100-G102 VanDerWaalsContact NE2-C 3.28Å; H100-G102 WeakPolarHBondContact NE2-CA 3.35Å; H100-G102 PolarHBondContact NE2-N 2.67Å; H100-H103 PolarHBondContact NE2-O 3.44Å; H100-V108 HydrophobicContact CB-CG1 4.35Å; H100-V108 WeakPolarHBondContact ND1-CG2 3.12Å; H100-P186 HydrophobicContact CB-CB 4.01Å; H100-P186 HydrophobicContact CB-CG 4.03Å; H100-V187 PolarHBondContact N-O 2.88Å
101K88.3Confident94.3Very high108 Ų10845.6 Ų45.647%0.4723%0.232SC..  trans-83.9-21.7178.9-65.9-176.9-70.4173.30113.3V113 V298K101-V113 HydrophobicContact CD-CG2 3.93Å; K101-V113 HydrophobicContact CG-CG2 4.26Å; K101-V298 WeakPolarHBondContact O-CG1 3.37Å; K101-V298 WeakPolarHBondContact O-CG2 3.12Å
102G88.2Confident94.4Very high30 Ų3046.7 Ų46.731%0.30924%0.237SC..SBendtrans-88-169.7-175.500000112.6H100H100-G102 VanDerWaalsContact CD2-C 3.45Å; H100-G102 PolarHBondContact CD2-N 2.89Å; H100-G102 PolarHBondContact CD2-O 3.29Å; H100-G102 VanDerWaalsContact CD2-O 3.27Å; H100-G102 VanDerWaalsContact NE2-C 3.28Å; H100-G102 WeakPolarHBondContact NE2-CA 3.35Å; H100-G102 PolarHBondContact NE2-N 2.67Å
103H90.2Very high94.5Very high114 Ų11446.8 Ų46.853%0.52824%0.237SC..  trans-73.5149.7177.8-171.5-100000111.2H100 R105 Q106H100-H103 PolarHBondContact NE2-O 3.44Å; H103-R105 WeakPolarHBondContact ND1-CB 3.41Å; H103-R105 PolarHBondContact ND1-N 3.39Å; H103-R105 VanDerWaalsContact ND1-N 3.19Å; H103-R105 PolarHBondContact O-N 2.83Å; H103-R105 VanDerWaalsContact O-N 3.11Å; H103-Q106 VanDerWaalsContact O-CB 3.22Å; H103-Q106 WeakPolarHBondContact O-CB 3.14Å; H103-Q106 PolarHBondContact O-N 3.26Å
104E90.9Very high94.6Very high57 Ų5743.1 Ų43.127%0.26622%0.221SC..THydrogen-bonded Turntrans-60.9-25.7-177.272.7-171.1-158.600114.4Q106 R265 Y267E104-Q106 VanDerWaalsContact C-N 3.28Å; E104-R265 VanDerWaalsContact C-NH1 3.27Å; E104-R265 VanDerWaalsContact CB-NH1 3.33Å; E104-R265 PolarHBondContact O-NH1 2.82Å; E104-Y267 VanDerWaalsContact CD-OH 3.3Å; E104-Y267 WeakPolarHBondContact OE2-CE1 3.43Å; E104-Y267 VanDerWaalsContact OE2-CZ 3.26Å; E104-Y267 PolarHBondContact OE2-OH 3.2Å
105R91.8Very high94.6Very high197 Ų19743.1 Ų43.174%0.74322%0.221SC*.THydrogen-bonded Turntrans-81.3-5.4176.3-61.6178.3-174.8-178-1.6113.4Y54 H103Y54-R105 WeakPolarHBondContact CE1-O 3.17Å; H103-R105 WeakPolarHBondContact ND1-CB 3.41Å; H103-R105 PolarHBondContact ND1-N 3.39Å; H103-R105 VanDerWaalsContact ND1-N 3.19Å; H103-R105 PolarHBondContact O-N 2.83Å; H103-R105 VanDerWaalsContact O-N 3.11Å
106Q93.8Very high94.5Very high107 Ų10743.1 Ų43.150%0.522%0.221SC..SBendtrans-82.1127.4178.4-172.4177.5-4.100110H103 E104 V108H103-Q106 VanDerWaalsContact O-CB 3.22Å; H103-Q106 WeakPolarHBondContact O-CB 3.14Å; H103-Q106 PolarHBondContact O-N 3.26Å; E104-Q106 VanDerWaalsContact C-N 3.28Å; Q106-V108 PolarHBondContact O-N 3.35Å
107A94.3Very high94.4Very high61 Ų6143.1 Ų43.150%0.50422%0.221SC..  trans-65.2128.8171.800000110A52 V53 Y54A52-A107 HydrophobicContact CB-CB 4.47Å; V53-A107 CarbonylContact O-C 3.55Å; V53-A107 WeakPolarHBondContact O-CA 3.39Å; Y54-A107 HydrophobicContact CE1-CB 4.26Å
108V92.7Very high94.1Very high13 Ų1343.1 Ų43.18%0.07922%0.221CC..  trans-139.9101.9-176.455.60000110.2V53 C55 H100 Q106 S110 P186V53-V108 VanDerWaalsContact CB-O 3.26Å; V53-V108 WeakPolarHBondContact CB-O 3.46Å; V53-V108 WeakPolarHBondContact CG1-O 3.49Å; V53-V108 PolarHBondContact O-N 2.9Å; C55-V108 HydrophobicContact CB-CG1 4.32Å; H100-V108 HydrophobicContact CB-CG1 4.35Å; H100-V108 WeakPolarHBondContact ND1-CG2 3.12Å; Q106-V108 PolarHBondContact O-N 3.35Å; V108-S110 VanDerWaalsContact C-N 3.34Å; V108-S110 WeakPolarHBondContact CG2-O 3.26Å; V108-P186 HydrophobicContact CG1-CG 3.86Å; V108-P186 HydrophobicContact CG2-CG 4Å
109N92.1Very high93.9Very high107 Ų10748 Ų4857%0.57224%0.244SC*.SBendtrans-86.7-4.9178.965.62.2000114.1R180N109-R180 PolarHBondContact O-N 2.65Å
110S94.5Very high93.8Very high40 Ų4048.2 Ų48.228%0.2825%0.245SC..EExtended strand (participates in β ladder)trans-157.8151.4-172.962.20000112.2V108 L178V108-S110 VanDerWaalsContact C-N 3.34Å; V108-S110 WeakPolarHBondContact CG2-O 3.26Å; S110-L178 VanDerWaalsContact CA-O 3.26Å; S110-L178 WeakPolarHBondContact CA-O 3.34Å
111S96.7Very high93.8Very high12 Ų1247.7 Ų47.78%0.08424%0.243CC..EExtended strand (participates in β ladder)trans-146.4149.6169.11750000110.2V99 V113 P177 L178V99-S111 WeakPolarHBondContact O-CB 3.12Å; V99-S111 PolarHBondContact O-OG 3.18Å; S111-V113 PolarHBondContact OG-N 2.99Å; S111-P177 WeakPolarHBondContact O-CA 3.19Å; S111-L178 PolarHBondContact N-O 2.93Å; S111-L178 PolarHBondContact O-N 3.28Å
112D96.9Very high93.5Very high35 Ų3543.5 Ų43.519%0.18723%0.23CC..EExtended strand (participates in β ladder)trans-123.714.7174.256.325000112.1K173 L174 P177D112-K173 HydrophobicContact CB-CD 4.47Å; D112-K173 CarbonylContact O-C 3.59Å; D112-K173 WeakPolarHBondContact O-CA 3.03Å; D112-K173 WeakPolarHBondContact OD1-CE 3.44Å; D112-K173 IonicContact OD1-NZ 2.64Å; D112-K173 PolarHBondContact OD1-NZ 2.89Å; D112-K173 WeakPolarHBondContact OD2-CE 3.47Å; D112-K173 IonicContact OD2-NZ 3.34Å; D112-K173 PolarHBondContact OD2-NZ 2.93Å; D112-L174 HydrophobicContact CB-CB 4.08Å; D112-L174 WeakPolarHBondContact O-CG 3.26Å; D112-L174 PolarHBondContact O-N 2.92Å; D112-P177 HydrophobicContact CB-CB 4.16Å
113V97Very high93.1Very high8 Ų849.8 Ų49.85%0.04824%0.244CC..EExtended strand (participates in β ladder)trans-109.8120.7-177.5-175.40000109.3L98 V99 K101 S111 I171 L172L98-V113 WeakPolarHBondContact CA-O 3.41Å; V99-V113 HydrophobicContact CG2-CB 3.94Å; V99-V113 HydrophobicContact CG2-CG1 3.59Å; V99-V113 PolarHBondContact N-O 2.83Å; K101-V113 HydrophobicContact CD-CG2 3.93Å; K101-V113 HydrophobicContact CG-CG2 4.26Å; S111-V113 PolarHBondContact OG-N 2.99Å; V113-I171 HydrophobicContact CG1-CG2 3.75Å; V113-L172 WeakPolarHBondContact CA-O 3.32Å
114V97.9Very high92.9Very high0 Ų049.6 Ų49.60%024%0.239CC..EExtended strand (participates in β ladder)trans-114.2136.4175.7168.70000110.4V82 S97 L98 L172 L174V82-V114 HydrophobicContact CG1-CG2 4.36Å; V82-V114 HydrophobicContact CG2-CG1 3.57Å; V82-V114 HydrophobicContact CG2-CG2 4.18Å; S97-V114 CarbonylContact O-C 3.53Å; S97-V114 WeakPolarHBondContact O-CA 3.46Å; L98-V114 HydrophobicContact CD1-CG2 4.07Å; V114-L172 HydrophobicContact CB-CB 4.1Å; V114-L172 HydrophobicContact CB-CD1 4.21Å; V114-L172 HydrophobicContact CB-CG 4.17Å; V114-L172 HydrophobicContact CG1-CD1 3.94Å; V114-L172 HydrophobicContact CG1-CG 4.2Å; V114-L172 PolarHBondContact N-O 3.41Å; V114-L172 PolarHBondContact O-N 3.27Å; V114-L174 HydrophobicContact CG2-CD1 4Å; V114-L174 HydrophobicContact CG2-CD2 4.09Å; V114-L174 HydrophobicContact CG2-CG 4.14Å
115L97.3Very high92.8Very high2 Ų253.8 Ų53.81%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-104.1139.1169.6-58.7-174000111G96 S97 V99 I171 L189 V271 I294 I296G96-L115 CarbonylContact C-O 3.42Å; G96-L115 WeakPolarHBondContact CA-O 3.5Å; S97-L115 PolarHBondContact N-O 2.75Å; S97-L115 PolarHBondContact O-N 3.21Å; V99-L115 HydrophobicContact CB-CD1 4.37Å; V99-L115 HydrophobicContact CB-CG 4.44Å; V99-L115 HydrophobicContact CG1-CB 4.4Å; V99-L115 HydrophobicContact CG1-CD1 3.68Å; V99-L115 HydrophobicContact CG1-CG 3.82Å; V99-L115 HydrophobicContact CG2-CD1 4.04Å; V99-L115 HydrophobicContact CG2-CD2 4.41Å; V99-L115 HydrophobicContact CG2-CG 3.78Å; L115-I171 HydrophobicContact CD2-CB 4.15Å; L115-I171 HydrophobicContact CD2-CD1 4.39Å; L115-I171 HydrophobicContact CD2-CG1 3.65Å; L115-I171 HydrophobicContact CD2-CG2 4.05Å; L115-L189 HydrophobicContact CD1-CD2 3.75Å; L115-V271 HydrophobicContact CB-CG2 4.37Å; L115-I294 HydrophobicContact CD1-CB 4.32Å; L115-I294 HydrophobicContact CD1-CD1 3.15Å; L115-I294 HydrophobicContact CD1-CG1 3.7Å; L115-I294 HydrophobicContact CD1-CG2 3.82Å; L115-I294 HydrophobicContact CG-CD1 4.43Å; L115-I296 HydrophobicContact CD1-CD1 4.25Å; L115-I296 HydrophobicContact CD2-CD1 4.08Å
116T97.5Very high92.8Very high0 Ų046.6 Ų46.60%023%0.231CC..EExtended strand (participates in β ladder)trans-160.2-173.2178.8-170.50000109.8I84 I95 F121 V169 A170 L172I84-T116 HydrophobicContact CD1-CG2 3.61Å; I84-T116 WeakPolarHBondContact CD1-OG1 3.49Å; I95-T116 WeakPolarHBondContact O-CB 3.19Å; I95-T116 PolarHBondContact O-OG1 3.15Å; T116-F121 HydrophobicContact CG2-CE2 4.27Å; T116-V169 CarbonylContact O-C 3.48Å; T116-V169 WeakPolarHBondContact O-CA 3.04Å; T116-A170 HydrophobicContact CG2-CB 3.88Å; T116-A170 PolarHBondContact N-O 2.67Å; T116-A170 VanDerWaalsContact N-O 3.08Å; T116-A170 PolarHBondContact O-N 3.39Å; T116-L172 HydrophobicContact CG2-CD1 4.16Å; T116-L172 HydrophobicContact CG2-CD2 4.12Å; T116-L172 HydrophobicContact CG2-CG 4.21Å
117A95.3Very high92.7Very high0 Ų044.1 Ų44.10%023%0.226CC..EExtended strand (participates in β ladder)trans-83.5142.1174.700000111.8E119 C120 L254 L273A117-E119 PolarHBondContact O-N 3.16Å; A117-C120 WeakPolarHBondContact O-CB 3.06Å; A117-C120 PolarHBondContact O-N 3.28Å; A117-C120 VanDerWaalsContact O-N 3.08Å; A117-L254 HydrophobicContact CB-CD1 3.46Å; A117-L254 VanDerWaalsContact CB-CD1 3.46Å; A117-L254 HydrophobicContact CB-CG 3.76Å; A117-L273 HydrophobicContact CB-CD2 3.75Å
118A93Very high92.8Very high0 Ų049 Ų490%023%0.231CC..G310 helixtrans-62.2-32.1173.800000112.5C120 F121 L155 A167 G168 A170A118-C120 PolarHBondContact O-N 2.95Å; A118-C120 VanDerWaalsContact O-N 3.09Å; A118-F121 PolarHBondContact O-N 2.71Å; A118-F121 VanDerWaalsContact O-N 3.17Å; A118-L155 HydrophobicContact CB-CD2 4.05Å; A118-A167 HydrophobicContact CB-CB 3.98Å; A118-G168 WeakPolarHBondContact CB-O 3.4Å; A118-G168 PolarHBondContact N-O 2.93Å; A118-A170 HydrophobicContact CB-CB 4.49Å
119E93.5Very high93Very high103 Ų10348.3 Ų48.348%0.48123%0.227SC..G310 helixtrans-61.7-19.7176.5-164.7176.8144.500112.5A117 F121 G122 A167 L254A117-E119 PolarHBondContact O-N 3.16Å; E119-F121 PolarHBondContact O-N 3.34Å; E119-F121 VanDerWaalsContact O-N 3.08Å; E119-G122 PolarHBondContact O-N 3.36Å; E119-G122 VanDerWaalsContact O-N 3.07Å; E119-A167 HydrophobicContact CB-CB 3.86Å; E119-L254 HydrophobicContact CB-CD1 4.47Å; E119-L254 HydrophobicContact CB-CD2 4.07Å; E119-L254 HydrophobicContact CG-CD2 4.31Å
120C95.3Very high93.3Very high3 Ų343.8 Ų43.82%0.0220%0.202CC..G310 helixtrans-55-32.3175.6-162.10000113.7C94 A117 A118C94-C120 HydrophobicContact CB-CB 3.89Å; C94-C120 WeakPolarHBondContact CB-SG 3.39Å; C94-C120 WeakPolarHBondContact SG-CA 3.08Å; C94-C120 WeakPolarHBondContact SG-CB 3.49Å; C94-C120 CovalentContact SG-SG 2.02Å; C94-C120 PolarHBondContact SG-SG 3.16Å; A117-C120 WeakPolarHBondContact O-CB 3.06Å; A117-C120 PolarHBondContact O-N 3.28Å; A117-C120 VanDerWaalsContact O-N 3.08Å; A118-C120 PolarHBondContact O-N 2.95Å; A118-C120 VanDerWaalsContact O-N 3.09Å
121F92.4Very high93.4Very high5 Ų542 Ų422%0.02219%0.189CC..THydrogen-bonded Turntrans-84.2-38.9179.6-65.8-92.3000110.7T116 A118 E119 R123 R124 H126 L129 I150 V153 L155 A170 L172T116-F121 HydrophobicContact CG2-CE2 4.27Å; A118-F121 PolarHBondContact O-N 2.71Å; A118-F121 VanDerWaalsContact O-N 3.17Å; E119-F121 PolarHBondContact O-N 3.34Å; E119-F121 VanDerWaalsContact O-N 3.08Å; F121-R123 PolarHBondContact O-N 3.44Å; F121-R124 WeakPolarHBondContact O-CA 3.42Å; F121-R124 WeakPolarHBondContact O-CB 3.21Å; F121-R124 WeakPolarHBondContact O-CG 3.15Å; F121-R124 PolarHBondContact O-N 2.69Å; F121-H126 HydrophobicContact CD1-CB 4.21Å; F121-H126 HydrophobicContact CE1-CB 3.74Å; F121-L129 HydrophobicContact CD1-CD1 3.67Å; F121-L129 HydrophobicContact CE1-CD1 3.55Å; F121-L129 HydrophobicContact CG-CD1 4.31Å; F121-L129 HydrophobicContact CZ-CD1 4.07Å; F121-I150 HydrophobicContact CE1-CD1 4.31Å; F121-I150 HydrophobicContact CZ-CD1 4.32Å; F121-V153 HydrophobicContact CD1-CG1 4.5Å; F121-V153 HydrophobicContact CD1-CG2 4.45Å; F121-V153 HydrophobicContact CD2-CG1 4.29Å; F121-V153 HydrophobicContact CE1-CB 4.47Å; F121-V153 HydrophobicContact CE1-CG1 4.15Å; F121-V153 HydrophobicContact CE1-CG2 3.65Å; F121-V153 HydrophobicContact CE2-CG1 3.96Å; F121-V153 HydrophobicContact CZ-CG1 3.9Å; F121-V153 HydrophobicContact CZ-CG2 3.81Å; F121-L155 HydrophobicContact CD2-CD2 3.83Å; F121-L155 HydrophobicContact CE2-CD2 4.44Å; F121-L155 HydrophobicContact CG-CD2 4.29Å; F121-A170 HydrophobicContact CD2-CB 4.33Å; F121-A170 HydrophobicContact CE2-CB 3.98Å; F121-L172 HydrophobicContact CE1-CD2 4.46Å; F121-L172 HydrophobicContact CE2-CD2 3.52Å; F121-L172 HydrophobicContact CZ-CD1 4.09Å; F121-L172 HydrophobicContact CZ-CD2 3.3Å; F121-L172 HydrophobicContact CZ-CG 4.36Å
122G83.3Confident93.5Very high19 Ų1941.7 Ų41.720%0.19619%0.186CC..THydrogen-bonded Turntrans46.5-127.7-168.600000109.8E119 R124 M317E119-G122 PolarHBondContact O-N 3.36Å; E119-G122 VanDerWaalsContact O-N 3.07Å; G122-R124 VanDerWaalsContact C-N 3.3Å; G122-R124 PolarHBondContact O-N 3.34Å; G122-M317 WeakPolarHBondContact O-CE 3.28Å
123R79.8Confident93.6Very high162 Ų16240.2 Ų40.261%0.61118%0.179SC*.THydrogen-bonded Turntrans-83.77.7175.1-58.2-177.2-179177.9-1.4114.9F121 N318F121-R123 PolarHBondContact O-N 3.44Å; R123-N318 PolarHBondContact NH2-O 3.45Å
124R84.9Confident93.5Very high110 Ų11040.6 Ų40.642%0.41518%0.184SC..  trans-91138-171.6-56.4176.4-177.178.37.1111.6F121 G122F121-R124 WeakPolarHBondContact O-CA 3.42Å; F121-R124 WeakPolarHBondContact O-CB 3.21Å; F121-R124 WeakPolarHBondContact O-CG 3.15Å; F121-R124 PolarHBondContact O-N 2.69Å; G122-R124 VanDerWaalsContact C-N 3.3Å; G122-R124 PolarHBondContact O-N 3.34Å
125K89.6Confident93.4Very high145 Ų14541.7 Ų41.763%0.6319%0.192SC*.  trans-65.1139.8165.6-62.9-175.1179.8-177.40110S127 R128K125-S127 PolarHBondContact O-N 3.15Å; K125-S127 VanDerWaalsContact O-N 3.11Å; K125-R128 WeakPolarHBondContact O-CB 3.36Å; K125-R128 PolarHBondContact O-N 2.78Å
126H90.4Very high93.2Very high46 Ų4642.7 Ų42.721%0.21320%0.198CC..G310 helixtrans-56.7-27.9177.662.3-97.6000113.1F121 R128 L129 I150 V153F121-H126 HydrophobicContact CD1-CB 4.21Å; F121-H126 HydrophobicContact CE1-CB 3.74Å; H126-R128 PolarHBondContact O-N 2.82Å; H126-R128 VanDerWaalsContact O-N 3.14Å; H126-L129 PolarHBondContact O-N 2.64Å; H126-I150 HydrophobicContact CB-CB 4.4Å; H126-I150 HydrophobicContact CB-CG2 4.08Å; H126-V153 HydrophobicContact CB-CG2 3.46Å; H126-V153 VanDerWaalsContact CB-CG2 3.46Å
127S93.1Very high93Very high55 Ų5549.4 Ų49.439%0.38522%0.224SC..G310 helixtrans-61.1-20.9175.363.30000113.9K125 L129 R130K125-S127 PolarHBondContact O-N 3.15Å; K125-S127 VanDerWaalsContact O-N 3.11Å; S127-L129 VanDerWaalsContact C-N 3.34Å; S127-R130 PolarHBondContact O-NH1 3.45Å
128R95.5Very high93Very high163 Ų16349.5 Ų49.562%0.61522%0.224SC*.G310 helixtrans-86.20.6174-62.6-173.9174.4175.9-1.5113.4R87 K125 H126R87-R128 WeakPolarHBondContact CB-O 3.49Å; R87-R128 PolarHBondContact N-O 3.13Å; K125-R128 WeakPolarHBondContact O-CB 3.36Å; K125-R128 PolarHBondContact O-N 2.78Å; H126-R128 PolarHBondContact O-N 2.82Å; H126-R128 VanDerWaalsContact O-N 3.14Å
129L97.4Very high93Very high0 Ų050.5 Ų50.50%023%0.231CC..EExtended strand (participates in β ladder)trans-115.9158.3177.6-59.7-177.8000112.2I84 T85 T86 F121 H126 S127 I150I84-L129 HydrophobicContact CG2-CB 4.29Å; I84-L129 HydrophobicContact CG2-CD1 4Å; T85-L129 CarbonylContact O-C 3.42Å; T85-L129 WeakPolarHBondContact O-CA 3.15Å; T85-L129 WeakPolarHBondContact O-CD2 3.28Å; T86-L129 HydrophobicContact CG2-CD2 4.34Å; F121-L129 HydrophobicContact CD1-CD1 3.67Å; F121-L129 HydrophobicContact CE1-CD1 3.55Å; F121-L129 HydrophobicContact CG-CD1 4.31Å; F121-L129 HydrophobicContact CZ-CD1 4.07Å; H126-L129 PolarHBondContact O-N 2.64Å; S127-L129 VanDerWaalsContact C-N 3.34Å; L129-I150 HydrophobicContact CB-CD1 3.92Å
130R97.4Very high92.8Very high12 Ų1252 Ų525%0.04523%0.232CC..EExtended strand (participates in β ladder)trans-137.6146.7174.8-68.1-63.9-179.4-86.14.9110I84 T85 R87 S127 Y132I84-R130 WeakPolarHBondContact CA-O 3.39Å; T85-R130 PolarHBondContact N-O 3.32Å; T85-R130 PolarHBondContact O-N 2.8Å; T85-R130 PolarHBondContact OG1-O 2.57Å; R87-R130 HydrophobicContact CB-CG 4.36Å; R87-R130 VanDerWaalsContact CD-NH2 3.33Å; R87-R130 HydrophobicContact CG-CG 4.49Å; R87-R130 VanDerWaalsContact NE-NH2 3.18Å; S127-R130 PolarHBondContact O-NH1 3.45Å; R130-Y132 HydrophobicContact CB-CD2 4.44Å; R130-Y132 HydrophobicContact CB-CE2 3.8Å
131V98.2Very high92.4Very high1 Ų159.5 Ų59.51%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-103.3133.1175.5-178.30000108.3V82 I83 I84 K147 V148 I150 L172 L174V82-V131 HydrophobicContact CB-CG1 3.68Å; V82-V131 HydrophobicContact CG1-CG1 4.08Å; V82-V131 HydrophobicContact CG2-CG1 3.89Å; I83-V131 WeakPolarHBondContact O-CA 3.27Å; I84-V131 HydrophobicContact CG1-CG2 4.41Å; V131-K147 WeakPolarHBondContact O-CA 2.82Å; V131-V148 PolarHBondContact N-O 3.38Å; V131-V148 VanDerWaalsContact N-O 3.08Å; V131-V148 PolarHBondContact O-N 3.07Å; V131-I150 HydrophobicContact CG2-CD1 4.11Å; V131-I150 HydrophobicContact CG2-CG1 3.83Å; V131-L172 HydrophobicContact CG2-CD1 4.38Å; V131-L174 HydrophobicContact CB-CD2 4.1Å; V131-L174 HydrophobicContact CG1-CD2 4.33Å; V131-L174 HydrophobicContact CG2-CD2 3.78Å
132Y98Very high92.3Very high7 Ų767.9 Ų67.93%0.02730%0.303CS..EExtended strand (participates in β ladder)trans-120.6140.7171.8-67.5-97.3000109.2V82 I83 T85 R130 F138 R143 A146 K147V82-Y132 CarbonylContact C-O 3.54Å; V82-Y132 VanDerWaalsContact CA-O 3.28Å; V82-Y132 WeakPolarHBondContact CA-O 3.23Å; V82-Y132 WeakPolarHBondContact CB-O 3.29Å; I83-Y132 PolarHBondContact N-O 3.03Å; I83-Y132 PolarHBondContact O-N 3.02Å; T85-Y132 HydrophobicContact CG2-CD2 3.95Å; T85-Y132 HydrophobicContact CG2-CE2 4.19Å; T85-Y132 VanDerWaalsContact OG1-CE2 3.28Å; T85-Y132 WeakPolarHBondContact OG1-CE2 3.48Å; R130-Y132 HydrophobicContact CB-CD2 4.44Å; R130-Y132 HydrophobicContact CB-CE2 3.8Å; Y132-F138 HydrophobicContact CD1-CD2 4.32Å; Y132-F138 AromaticContact CD1-CE2 3.67Å; Y132-F138 HydrophobicContact CD1-CE2 3.67Å; Y132-F138 AromaticContact CD2-CE2 3.58Å; Y132-F138 HydrophobicContact CD2-CE2 3.58Å; Y132-F138 AromaticContact CD2-CZ 4Å; Y132-F138 HydrophobicContact CD2-CZ 4Å; Y132-F138 AromaticContact CE1-CE2 3.98Å; Y132-F138 HydrophobicContact CE1-CE2 3.98Å; Y132-F138 AromaticContact CE2-CE2 3.89Å; Y132-F138 HydrophobicContact CE2-CE2 3.89Å; Y132-F138 HydrophobicContact CE2-CZ 4.05Å; Y132-F138 HydrophobicContact CG-CD2 4.08Å; Y132-F138 AromaticContact CG-CE2 3.47Å; Y132-F138 HydrophobicContact CG-CE2 3.47Å; Y132-F138 VanDerWaalsContact CG-CE2 3.47Å; Y132-F138 HydrophobicContact CG-CZ 4.34Å; Y132-R143 HydrophobicContact CD1-CB 4.45Å; Y132-R143 HydrophobicContact CE1-CB 3.71Å; Y132-R143 WeakPolarHBondContact OH-CD 3.26Å; Y132-A146 VanDerWaalsContact CA-O 3.32Å; Y132-A146 WeakPolarHBondContact CA-O 3.36Å; Y132-K147 HydrophobicContact CD1-CB 3.93Å; Y132-K147 HydrophobicContact CD1-CG 4.31Å; Y132-K147 HydrophobicContact CE1-CB 3.57Å; Y132-K147 HydrophobicContact CE1-CD 3.9Å; Y132-K147 HydrophobicContact CE1-CG 3.64Å; Y132-K147 HydrophobicContact CE2-CG 4.38Å; Y132-K147 WeakPolarHBondContact OH-CD 3.2Å; Y132-K147 WeakPolarHBondContact OH-CE 3.41Å
133A98Very high92.7Very high3 Ų371.4 Ų71.43%0.02531%0.31CS..EExtended strand (participates in β ladder)trans-146.7166.1-178.800000111.3V82 S135 G145 A146 L178 V184V82-A133 HydrophobicContact CB-CB 4.49Å; V82-A133 HydrophobicContact CG1-CB 3.86Å; A133-S135 PolarHBondContact O-N 2.81Å; A133-G145 CarbonylContact O-C 3.16Å; A133-G145 WeakPolarHBondContact O-CA 3.43Å; A133-A146 PolarHBondContact N-O 3.13Å; A133-A146 VanDerWaalsContact N-O 3.15Å; A133-A146 PolarHBondContact O-N 3.43Å; A133-L178 HydrophobicContact CB-CD1 3.69Å; A133-V184 HydrophobicContact CB-CG1 3.71Å
134G96.3Very high93.3Very high16 Ų1670.6 Ų70.617%0.16531%0.307CS..SBendtrans76.715.6172.700000115.8M77M77-G134 VanDerWaalsContact CE-N 3.32Å
135S95Very high93.8Very high24 Ų2467.2 Ų67.217%0.16831%0.307CS..  trans-145.8129.9170.4-167.30000111.2M77 A133 R137M77-S135 VanDerWaalsContact SD-O 3.36Å; A133-S135 PolarHBondContact O-N 2.81Å; S135-R137 VanDerWaalsContact C-N 3.27Å; S135-R137 PolarHBondContact O-N 3.18Å; S135-R137 PolarHBondContact OG-O 2.88Å
136P92.8Very high94.2Very high22 Ų2261.1 Ų61.114%0.14328%0.283CS..SBendtrans-68.3-30.1175.927.2-33.6000111.4M77 R213 I214M77-P136 HydrophobicContact CB-CB 4.12Å; M77-P136 HydrophobicContact CG-CB 4.18Å; P136-R213 CarbonylContact O-C 3.56Å; P136-R213 WeakPolarHBondContact O-CA 3.44Å; P136-I214 PolarHBondContact O-N 3.37Å
137R94.1Very high94.5Very high141 Ų14164 Ų6453%0.53230%0.296SS..BIsolated β-bridgetrans-91.4127.4-179.3-66-174.4-177.4176.32.5111.2S135 R144 H212S135-R137 VanDerWaalsContact C-N 3.27Å; S135-R137 PolarHBondContact O-N 3.18Å; S135-R137 PolarHBondContact OG-O 2.88Å; R137-R144 WeakPolarHBondContact O-CB 3.44Å; R137-H212 WeakPolarHBondContact CA-O 3.44Å
138F94.2Very high94.7Very high3 Ų361.6 Ų61.61%0.01328%0.278CS..  trans-144.8120.3174.7-176.7-86.5000111I83 T85 Y132 R143 Y207 H212I83-F138 HydrophobicContact CD1-CB 3.26Å; I83-F138 HydrophobicContact CD1-CD1 4.2Å; I83-F138 HydrophobicContact CD1-CD2 4.21Å; I83-F138 HydrophobicContact CD1-CG 3.63Å; I83-F138 HydrophobicContact CG2-CD1 4.19Å; I83-F138 HydrophobicContact CG2-CE1 4.44Å; I83-F138 HydrophobicContact CG2-CG 4.41Å; T85-F138 HydrophobicContact CG2-CE1 3.64Å; T85-F138 HydrophobicContact CG2-CE2 4.34Å; T85-F138 HydrophobicContact CG2-CZ 3.54Å; Y132-F138 HydrophobicContact CD1-CD2 4.32Å; Y132-F138 AromaticContact CD1-CE2 3.67Å; Y132-F138 HydrophobicContact CD1-CE2 3.67Å; Y132-F138 AromaticContact CD2-CE2 3.58Å; Y132-F138 HydrophobicContact CD2-CE2 3.58Å; Y132-F138 AromaticContact CD2-CZ 4Å; Y132-F138 HydrophobicContact CD2-CZ 4Å; Y132-F138 AromaticContact CE1-CE2 3.98Å; Y132-F138 HydrophobicContact CE1-CE2 3.98Å; Y132-F138 AromaticContact CE2-CE2 3.89Å; Y132-F138 HydrophobicContact CE2-CE2 3.89Å; Y132-F138 HydrophobicContact CE2-CZ 4.05Å; Y132-F138 HydrophobicContact CG-CD2 4.08Å; Y132-F138 AromaticContact CG-CE2 3.47Å; Y132-F138 HydrophobicContact CG-CE2 3.47Å; Y132-F138 VanDerWaalsContact CG-CE2 3.47Å; Y132-F138 HydrophobicContact CG-CZ 4.34Å; F138-R143 HydrophobicContact CE2-CB 3.84Å; F138-R143 HydrophobicContact CE2-CG 4.18Å; F138-R143 HydrophobicContact CZ-CB 4.25Å; F138-R143 HydrophobicContact CZ-CG 4.07Å; F138-Y207 HydrophobicContact CB-CE2 4.18Å; F138-Y207 HydrophobicContact CD1-CE2 4.43Å; F138-Y207 WeakPolarHBondContact O-CE2 3.29Å; F138-Y207 PolarHBondContact O-OH 2.89Å; F138-H212 CarbonylContact C-O 3.46Å; F138-H212 PolarHBondContact N-O 2.93Å; F138-H212 WeakPolarHBondContact O-CB 3.45Å
139S93Very high94.9Very high20 Ų2059 Ų5914%0.1427%0.271CS..  trans-126.1161.2169.780.30000110.9L141 R142 R143S139-L141 PolarHBondContact O-N 2.02Å; S139-R142 PolarHBondContact N-O 2.93Å; S139-R142 VanDerWaalsContact N-O 3.12Å; S139-R142 CarbonylContact O-C 3.16Å; S139-R142 PolarHBondContact O-N 2.68Å; S139-R142 WeakPolarHBondContact OG-CB 3.48Å; S139-R142 PolarHBondContact OG-N 2.93Å; S139-R143 PolarHBondContact O-N 3.04Å
140R89.5Confident94.9Very high134 Ų13459.5 Ų59.551%0.50627%0.274SS..SBendtrans-59-34.3178.7-61.4-178.1-170.2169.25.3111.9R143R140-R143 PolarHBondContact O-NE 2.92Å
141L88.2Confident94.8Very high161 Ų16161.3 Ų61.384%0.84329%0.292SS*.SBendtrans-79.5-41.6178.2-60.8175000111.7S139S139-L141 PolarHBondContact O-N 2.02Å
142R90.1Very high94.6Very high181 Ų18164 Ų6468%0.68331%0.311SS*.  trans-119.183.4-177-58.1-62.8-175.5172.8-0.6109.5S139 R144S139-R142 PolarHBondContact N-O 2.93Å; S139-R142 VanDerWaalsContact N-O 3.12Å; S139-R142 CarbonylContact O-C 3.16Å; S139-R142 PolarHBondContact O-N 2.68Å; S139-R142 WeakPolarHBondContact OG-CB 3.48Å; S139-R142 PolarHBondContact OG-N 2.93Å; R142-R144 PolarHBondContact O-N 2.8Å
143R91Very high94.3Very high94 Ų9464.7 Ų64.736%0.35532%0.316SS..  trans-80.263.1-177.1-56.5175.1-171176.3-9111.2V88 Y132 F138 S139 R140V88-R143 PolarHBondContact O-NH2 3.45Å; V88-R143 VanDerWaalsContact O-NH2 3.07Å; Y132-R143 HydrophobicContact CD1-CB 4.45Å; Y132-R143 HydrophobicContact CE1-CB 3.71Å; Y132-R143 WeakPolarHBondContact OH-CD 3.26Å; F138-R143 HydrophobicContact CE2-CB 3.84Å; F138-R143 HydrophobicContact CE2-CG 4.18Å; F138-R143 HydrophobicContact CZ-CB 4.25Å; F138-R143 HydrophobicContact CZ-CG 4.07Å; S139-R143 PolarHBondContact O-N 3.04Å; R140-R143 PolarHBondContact O-NE 2.92Å
144R93Very high94Very high144 Ų14467.4 Ų67.454%0.54333%0.329SS..  trans-65160.4-176.1-60.2179.4177.8-1180.6111.6R137 R142R137-R144 WeakPolarHBondContact O-CB 3.44Å; R142-R144 PolarHBondContact O-N 2.8Å
145G95.4Very high93.6Very high40 Ų4067.6 Ų67.641%0.41233%0.326SS..SBendtrans89.5178.3179.500000114.4A133 K147A133-G145 CarbonylContact O-C 3.16Å; A133-G145 WeakPolarHBondContact O-CA 3.43Å; G145-K147 PolarHBondContact O-N 2.9Å
146A97.2Very high93.2Very high16 Ų1668.3 Ų68.313%0.13233%0.326CS..EExtended strand (participates in β ladder)trans-73.5116.9179.800000110.8Y132 A133 L178 D182Y132-A146 VanDerWaalsContact CA-O 3.32Å; Y132-A146 WeakPolarHBondContact CA-O 3.36Å; A133-A146 PolarHBondContact N-O 3.13Å; A133-A146 VanDerWaalsContact N-O 3.15Å; A133-A146 PolarHBondContact O-N 3.43Å; A146-L178 HydrophobicContact CB-CD2 3.7Å; A146-D182 HydrophobicContact CB-CB 3.79Å; A146-D182 WeakPolarHBondContact CB-OD1 2.94Å
147K97.2Very high92.6Very high108 Ų10867.3 Ų67.347%0.4732%0.319SS..EExtended strand (participates in β ladder)trans-90.9127.3176.6-178.6-175.7179.4-177.10111.1V131 Y132 G145V131-K147 WeakPolarHBondContact O-CA 2.82Å; Y132-K147 HydrophobicContact CD1-CB 3.93Å; Y132-K147 HydrophobicContact CD1-CG 4.31Å; Y132-K147 HydrophobicContact CE1-CB 3.57Å; Y132-K147 HydrophobicContact CE1-CD 3.9Å; Y132-K147 HydrophobicContact CE1-CG 3.64Å; Y132-K147 HydrophobicContact CE2-CG 4.38Å; Y132-K147 WeakPolarHBondContact OH-CD 3.2Å; Y132-K147 WeakPolarHBondContact OH-CE 3.41Å; G145-K147 PolarHBondContact O-N 2.9Å
148V98Very high91.7Very high4 Ų461 Ų612%0.02430%0.296CS..EExtended strand (participates in β ladder)trans-132.7146.1179.5-171.90000111.8V131 L174 R176 L178V131-V148 PolarHBondContact N-O 3.38Å; V131-V148 VanDerWaalsContact N-O 3.08Å; V131-V148 PolarHBondContact O-N 3.07Å; V148-L174 HydrophobicContact CG1-CB 3.86Å; V148-L174 HydrophobicContact CG1-CD1 4.33Å; V148-L174 HydrophobicContact CG1-CD2 4.42Å; V148-L174 HydrophobicContact CG1-CG 4.43Å; V148-R176 HydrophobicContact CG1-CG 3.73Å; V148-R176 HydrophobicContact CG2-CG 4.08Å; V148-L178 HydrophobicContact CG2-CD2 3.52Å; V148-L178 HydrophobicContact CG2-CG 4.09Å
149K98Very high90.3Very high107 Ų10762 Ų6247%0.46530%0.303SS..  trans-85.3150.2173.1-71.9170.8178.2175.20109.9Q175K149-Q175 HydrophobicContact CB-CB 4.06Å; K149-Q175 VanDerWaalsContact CB-OE1 3.27Å; K149-Q175 WeakPolarHBondContact O-CB 3.5Å; K149-Q175 PolarHBondContact O-N 3.08Å
150I97.5Very high88.9Confident11 Ų1163.7 Ų63.76%0.05631%0.306CS..EExtended strand (participates in β ladder)trans-90.1125.5173.6-58163.7000107.7F121 H126 L129 V131 S152 V153 L172F121-I150 HydrophobicContact CE1-CD1 4.31Å; F121-I150 HydrophobicContact CZ-CD1 4.32Å; H126-I150 HydrophobicContact CB-CB 4.4Å; H126-I150 HydrophobicContact CB-CG2 4.08Å; L129-I150 HydrophobicContact CB-CD1 3.92Å; V131-I150 HydrophobicContact CG2-CD1 4.11Å; V131-I150 HydrophobicContact CG2-CG1 3.83Å; I150-S152 WeakPolarHBondContact CG2-O 3.27Å; I150-V153 HydrophobicContact CG2-CG2 3.54Å; I150-L172 HydrophobicContact CD1-CD1 4.07Å; I150-L172 HydrophobicContact CG1-CD1 4.41Å; I150-L172 HydrophobicContact CG2-CB 4.28Å
151A95.5Very high87.6Confident51 Ų5162.2 Ų62.242%0.42131%0.305SS..EExtended strand (participates in β ladder)trans-83.7-46.917700000111.7K173 Q175A151-K173 HydrophobicContact CB-CG 4.4Å; A151-K173 PolarHBondContact N-O 3.17Å; A151-Q175 HydrophobicContact CB-CB 4.31Å
152S94.4Very high86.3Confident58 Ų5860.8 Ų60.841%0.40630%0.298SS..EExtended strand (participates in β ladder)trans-149.6163.3178.269.50000111.7I150 K173I150-S152 WeakPolarHBondContact CG2-O 3.27Å; S152-K173 PolarHBondContact N-O 3.09Å; S152-K173 PolarHBondContact O-N 3.08Å; S152-K173 VanDerWaalsContact OG-CB 3.28Å; S152-K173 WeakPolarHBondContact OG-CB 3.2Å
153V92.2Very high85Confident21 Ų2162 Ų6213%0.12731%0.308CS..EExtended strand (participates in β ladder)trans-140.9129.3-177.3-177.20000109.2F121 H126 I150 L155 A170 I171 L172F121-V153 HydrophobicContact CD1-CG1 4.5Å; F121-V153 HydrophobicContact CD1-CG2 4.45Å; F121-V153 HydrophobicContact CD2-CG1 4.29Å; F121-V153 HydrophobicContact CE1-CB 4.47Å; F121-V153 HydrophobicContact CE1-CG1 4.15Å; F121-V153 HydrophobicContact CE1-CG2 3.65Å; F121-V153 HydrophobicContact CE2-CG1 3.96Å; F121-V153 HydrophobicContact CZ-CG1 3.9Å; F121-V153 HydrophobicContact CZ-CG2 3.81Å; H126-V153 HydrophobicContact CB-CG2 3.46Å; H126-V153 VanDerWaalsContact CB-CG2 3.46Å; I150-V153 HydrophobicContact CG2-CG2 3.54Å; V153-L155 HydrophobicContact CG1-CD2 3.47Å; V153-L155 VanDerWaalsContact CG1-CD2 3.47Å; V153-L155 HydrophobicContact CG1-CG 3.92Å; V153-A170 HydrophobicContact CG1-CB 4.38Å; V153-I171 WeakPolarHBondContact CA-O 3.49Å; V153-L172 HydrophobicContact CB-CD2 4.34Å; V153-L172 HydrophobicContact CG1-CD2 3.73Å; V153-L172 HydrophobicContact CG2-CD2 3.93Å
154L90.6Very high83.8Confident60 Ų6064.5 Ų64.531%0.31432%0.318SS..EExtended strand (participates in β ladder)trans-104.8125.6167.2-59.5175.7000108.1Y156 A170 I171L154-Y156 HydrophobicContact CB-CE2 3.76Å; L154-A170 VanDerWaalsContact O-CA 3.27Å; L154-A170 WeakPolarHBondContact O-CA 3.36Å; L154-I171 HydrophobicContact CB-CB 4.34Å; L154-I171 PolarHBondContact N-O 3.28Å; L154-I171 PolarHBondContact O-N 3.37Å
155L89.7Confident82.8Confident19 Ų1958.9 Ų58.910%0.09930%0.299CS..EExtended strand (participates in β ladder)trans-111127-178.4-61.2179000109.5A118 F121 V153 A170 L312 M317A118-L155 HydrophobicContact CB-CD2 4.05Å; F121-L155 HydrophobicContact CD2-CD2 3.83Å; F121-L155 HydrophobicContact CE2-CD2 4.44Å; F121-L155 HydrophobicContact CG-CD2 4.29Å; V153-L155 HydrophobicContact CG1-CD2 3.47Å; V153-L155 VanDerWaalsContact CG1-CD2 3.47Å; V153-L155 HydrophobicContact CG1-CG 3.92Å; L155-A170 HydrophobicContact CD2-CB 3.66Å; L155-L312 HydrophobicContact CB-CB 4.48Å; L155-L312 PolarHBondContact O-N 2.71Å; L155-M317 HydrophobicContact CD1-CE 4.26Å; L155-M317 HydrophobicContact CD1-SD 3.46Å; L155-M317 WeakPolarHBondContact CD1-SD 3.35Å
156Y85.2Confident81.9Confident40 Ų4061.3 Ų61.316%0.15730%0.295CS..EExtended strand (participates in β ladder)trans-114.2127.5-178.2-68.5-81.6000109.7L154 G168 V169 I171 L309L154-Y156 HydrophobicContact CB-CE2 3.76Å; Y156-G168 CarbonylContact O-C 3.54Å; Y156-G168 WeakPolarHBondContact O-CA 3.46Å; Y156-G168 PolarHBondContact O-N 3.46Å; Y156-V169 WeakPolarHBondContact CB-O 3.35Å; Y156-V169 HydrophobicContact CD2-CG2 4.17Å; Y156-V169 HydrophobicContact CG-CG2 4.33Å; Y156-V169 PolarHBondContact N-O 2.93Å; Y156-V169 PolarHBondContact O-N 3.33Å; Y156-I171 HydrophobicContact CD2-CD1 4.42Å; Y156-I171 HydrophobicContact CD2-CG1 4.26Å; Y156-I171 HydrophobicContact CE2-CD1 3.56Å; Y156-I171 HydrophobicContact CE2-CG1 3.74Å; Y156-L309 HydrophobicContact CD1-CB 4.21Å; Y156-L309 HydrophobicContact CD1-CD2 3.9Å; Y156-L309 HydrophobicContact CG-CD2 4.08Å
157G81.5Confident81.2Confident0 Ų061.1 Ų61.10%029%0.293CS..EExtended strand (participates in β ladder)trans-92.6155.6175.900000112.8R166 L309 L310G157-R166 CarbonylContact C-O 3.59Å; G157-R166 VanDerWaalsContact CA-O 3.3Å; G157-R166 WeakPolarHBondContact CA-O 3.33Å; G157-L309 WeakPolarHBondContact O-CD2 3.37Å; G157-L310 PolarHBondContact N-O 3.08Å
158L73.4Confident80.8Confident8 Ų856 Ų564%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-99.8123.3165.3-59.4179.3000108.1W160 I165 R166 L273 F290 K292L158-W160 PolarHBondContact O-N 2.96Å; L158-I165 CarbonylContact O-C 3.49Å; L158-I165 WeakPolarHBondContact O-CA 3.4Å; L158-I165 WeakPolarHBondContact O-CG2 2.99Å; L158-R166 PolarHBondContact N-O 3.22Å; L158-R166 PolarHBondContact O-N 3.42Å; L158-L273 HydrophobicContact CD1-CD1 3.69Å; L158-F290 HydrophobicContact CD1-CE1 4.29Å; L158-K292 HydrophobicContact CD1-CD 4.29Å; L158-K292 HydrophobicContact CD2-CD 3.58Å; L158-K292 VanDerWaalsContact CD2-CE 3.4Å; L158-K292 HydrophobicContact CD2-CG 4.03Å
159P65.6Low80.5Confident26 Ų2656.4 Ų56.417%0.16927%0.274CS..EExtended strand (participates in β ladder)trans-59.7131.7170-7.819.3000108.9Q237 F238P159-Q237 HydrophobicContact CB-CB 4.47Å; P159-Q237 HydrophobicContact CB-CG 3.85Å; P159-Q237 HydrophobicContact CG-CB 3.85Å; P159-Q237 HydrophobicContact CG-CG 3.78Å; P159-F238 WeakPolarHBondContact O-CE1 3.1Å; P159-F238 WeakPolarHBondContact O-CZ 3.19Å
160W62.8Low80.3Confident55 Ų5551.3 Ų51.321%0.20825%0.252CS..  trans-116.8162.5-179.9-160.8-91.6000111.6L158 K163 R164 R166 A229 A230 F238L158-W160 PolarHBondContact O-N 2.96Å; W160-K163 PolarHBondContact O-N 2.89Å; W160-R164 VanDerWaalsContact CA-O 3.3Å; W160-R164 WeakPolarHBondContact CA-O 3.23Å; W160-R164 HydrophobicContact CB-CB 4.07Å; W160-R164 WeakPolarHBondContact CB-O 3.28Å; W160-R164 PolarHBondContact N-O 3.18Å; W160-R164 PolarHBondContact O-N 2.85Å; W160-R166 HydrophobicContact CB-CG 4.16Å; W160-R166 VanDerWaalsContact CD2-CD 3.45Å; W160-R166 HydrophobicContact CD2-CG 3.87Å; W160-R166 HydrophobicContact CE3-CB 4.37Å; W160-R166 HydrophobicContact CE3-CG 3.74Å; W160-R166 HydrophobicContact CG-CG 4.06Å; W160-R166 HydrophobicContact CZ3-CG 4.39Å; W160-A229 HydrophobicContact CH2-CB 3.98Å; W160-A229 WeakPolarHBondContact CH2-O 3.12Å; W160-A229 HydrophobicContact CZ3-CB 3.51Å; W160-A230 HydrophobicContact CH2-CB 3.75Å; W160-A230 HydrophobicContact CZ2-CB 3.7Å; W160-A230 HydrophobicContact CZ3-CB 4.44Å; W160-F238 VanDerWaalsContact CA-CE1 3.49Å; W160-F238 VanDerWaalsContact CA-CZ 3.44Å; W160-F238 HydrophobicContact CB-CE1 4.25Å; W160-F238 AromaticContact CD2-CE1 3.83Å; W160-F238 HydrophobicContact CD2-CE1 3.83Å; W160-F238 AromaticContact CE3-CD1 3.97Å; W160-F238 HydrophobicContact CE3-CD1 3.97Å; W160-F238 AromaticContact CE3-CE1 3.49Å; W160-F238 HydrophobicContact CE3-CE1 3.49Å; W160-F238 VanDerWaalsContact CE3-CE1 3.49Å; W160-F238 HydrophobicContact CG-CE1 4.18Å; W160-F238 HydrophobicContact CZ3-CD1 4.23Å; W160-F238 HydrophobicContact CZ3-CE1 4.14Å
161E62.2Low80.1Confident103 Ų10352 Ų5248%0.48126%0.255SS..G310 helixtrans-54.9148.9178.3-167.8165.9-137.500110.2K163 R164E161-K163 PolarHBondContact O-N 2.98Å; E161-R164 PolarHBondContact O-N 2.73Å
162N62.4Low80.1Confident131 Ų13149.6 Ų49.670%0.70124%0.235SC*.G310 helixtrans62.134.1-175.4-55.5-31.4000114.9R164N162-R164 PolarHBondContact O-N 2.89Å; N162-R164 VanDerWaalsContact O-N 3.08Å
163K61.7Low80.2Confident205 Ų20550.5 Ų50.589%0.89123%0.232SC*.G310 helixtrans60.814-179.2-54.5175.7179.6175.60114W160 E161W160-K163 PolarHBondContact O-N 2.89Å; E161-K163 PolarHBondContact O-N 2.98Å
164R67.4Low80.4Confident148 Ų14849.7 Ų49.756%0.55823%0.227SC*.  trans-71.7157173.5-63.5-174.3-174.1-172.43.9109.3W160 E161 N162W160-R164 VanDerWaalsContact CA-O 3.3Å; W160-R164 WeakPolarHBondContact CA-O 3.23Å; W160-R164 HydrophobicContact CB-CB 4.07Å; W160-R164 WeakPolarHBondContact CB-O 3.28Å; W160-R164 PolarHBondContact N-O 3.18Å; W160-R164 PolarHBondContact O-N 2.85Å; E161-R164 PolarHBondContact O-N 2.73Å; N162-R164 PolarHBondContact O-N 2.89Å; N162-R164 VanDerWaalsContact O-N 3.08Å
165I70.7Confident80.8Confident26 Ų2652.8 Ų52.813%0.13324%0.24CC..EExtended strand (participates in β ladder)trans-123.8120.2174.7-52.4172.3000107.8L158 L310 L312 I320L158-I165 CarbonylContact O-C 3.49Å; L158-I165 WeakPolarHBondContact O-CA 3.4Å; L158-I165 WeakPolarHBondContact O-CG2 2.99Å; I165-L310 HydrophobicContact CD1-CB 4.38Å; I165-L310 HydrophobicContact CD1-CD1 3.75Å; I165-L310 HydrophobicContact CG1-CD1 4.44Å; I165-L312 HydrophobicContact CB-CD2 3.99Å; I165-L312 HydrophobicContact CD1-CD2 4.09Å; I165-L312 HydrophobicContact CG2-CD2 3.47Å; I165-L312 VanDerWaalsContact CG2-CD2 3.47Å; I165-L312 HydrophobicContact CG2-CG 4.2Å; I165-I320 WeakPolarHBondContact O-CD1 3.45Å; I165-I320 WeakPolarHBondContact O-CG1 3.12Å
166R77.3Confident81.1Confident91 Ų9156.2 Ų56.234%0.34325%0.251SS..EExtended strand (participates in β ladder)trans-86.5154.2170.6-72.9-170.479.7111.23.7110.4G157 L158 W160 G168G157-R166 CarbonylContact C-O 3.59Å; G157-R166 VanDerWaalsContact CA-O 3.3Å; G157-R166 WeakPolarHBondContact CA-O 3.33Å; L158-R166 PolarHBondContact N-O 3.22Å; L158-R166 PolarHBondContact O-N 3.42Å; W160-R166 HydrophobicContact CB-CG 4.16Å; W160-R166 VanDerWaalsContact CD2-CD 3.45Å; W160-R166 HydrophobicContact CD2-CG 3.87Å; W160-R166 HydrophobicContact CE3-CB 4.37Å; W160-R166 HydrophobicContact CE3-CG 3.74Å; W160-R166 HydrophobicContact CG-CG 4.06Å; W160-R166 HydrophobicContact CZ3-CG 4.39Å; R166-G168 PolarHBondContact O-N 3.28Å
167A82.9Confident81.7Confident11 Ų1156.7 Ų56.79%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-64.8120.8172.500000110.1A118 E119A118-A167 HydrophobicContact CB-CB 3.98Å; E119-A167 HydrophobicContact CB-CB 3.86Å
168G88.1Confident82.5Confident0 Ų056.8 Ų56.80%026%0.26CS..EExtended strand (participates in β ladder)trans-95.5-120.9174.500000110.8A118 Y156 R166 L273A118-G168 WeakPolarHBondContact CB-O 3.4Å; A118-G168 PolarHBondContact N-O 2.93Å; Y156-G168 CarbonylContact O-C 3.54Å; Y156-G168 WeakPolarHBondContact O-CA 3.46Å; Y156-G168 PolarHBondContact O-N 3.46Å; R166-G168 PolarHBondContact O-N 3.28Å; G168-L273 VanDerWaalsContact O-CD2 3.28Å; G168-L273 WeakPolarHBondContact O-CD2 3.26Å
169V91.7Very high83.6Confident14 Ų1458.9 Ų58.99%0.08527%0.271CS..EExtended strand (participates in β ladder)trans-100.5156.5-176.9-60.10000112T116 Y156 V271 K292T116-V169 CarbonylContact O-C 3.48Å; T116-V169 WeakPolarHBondContact O-CA 3.04Å; Y156-V169 WeakPolarHBondContact CB-O 3.35Å; Y156-V169 HydrophobicContact CD2-CG2 4.17Å; Y156-V169 HydrophobicContact CG-CG2 4.33Å; Y156-V169 PolarHBondContact N-O 2.93Å; Y156-V169 PolarHBondContact O-N 3.33Å; V169-V271 HydrophobicContact CG1-CB 3.89Å; V169-V271 HydrophobicContact CG1-CG1 4.31Å; V169-V271 HydrophobicContact CG1-CG2 4.06Å; V169-K292 HydrophobicContact CG1-CB 4.03Å; V169-K292 HydrophobicContact CG1-CG 4.17Å
170A92.8Very high85Confident0 Ų061 Ų610%028%0.275CS..EExtended strand (participates in β ladder)trans-122.7139171.200000110.5T116 A118 F121 V153 L154 L155 L172T116-A170 HydrophobicContact CG2-CB 3.88Å; T116-A170 PolarHBondContact N-O 2.67Å; T116-A170 VanDerWaalsContact N-O 3.08Å; T116-A170 PolarHBondContact O-N 3.39Å; A118-A170 HydrophobicContact CB-CB 4.49Å; F121-A170 HydrophobicContact CD2-CB 4.33Å; F121-A170 HydrophobicContact CE2-CB 3.98Å; V153-A170 HydrophobicContact CG1-CB 4.38Å; L154-A170 VanDerWaalsContact O-CA 3.27Å; L154-A170 WeakPolarHBondContact O-CA 3.36Å; L155-A170 HydrophobicContact CD2-CB 3.66Å; A170-L172 HydrophobicContact CB-CD2 4.04Å
171I94.2Very high86.5Confident24 Ų2466.5 Ų66.512%0.12330%0.301CS..EExtended strand (participates in β ladder)trans-109120.8171.5-51-178.3000107.5V113 L115 V153 L154 Y156 I296V113-I171 HydrophobicContact CG1-CG2 3.75Å; L115-I171 HydrophobicContact CD2-CB 4.15Å; L115-I171 HydrophobicContact CD2-CD1 4.39Å; L115-I171 HydrophobicContact CD2-CG1 3.65Å; L115-I171 HydrophobicContact CD2-CG2 4.05Å; V153-I171 WeakPolarHBondContact CA-O 3.49Å; L154-I171 HydrophobicContact CB-CB 4.34Å; L154-I171 PolarHBondContact N-O 3.28Å; L154-I171 PolarHBondContact O-N 3.37Å; Y156-I171 HydrophobicContact CD2-CD1 4.42Å; Y156-I171 HydrophobicContact CD2-CG1 4.26Å; Y156-I171 HydrophobicContact CE2-CD1 3.56Å; Y156-I171 HydrophobicContact CE2-CG1 3.74Å; I171-I296 HydrophobicContact CD1-CD1 3.83Å; I171-I296 HydrophobicContact CD1-CG1 3.73Å
172L95.4Very high88.2Confident1 Ų162.8 Ų62.81%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-105134.9179.9-35.4-173.8000109I84 V113 V114 T116 F121 V131 I150 V153 A170I84-L172 HydrophobicContact CD1-CD1 3.96Å; V113-L172 WeakPolarHBondContact CA-O 3.32Å; V114-L172 HydrophobicContact CB-CB 4.1Å; V114-L172 HydrophobicContact CB-CD1 4.21Å; V114-L172 HydrophobicContact CB-CG 4.17Å; V114-L172 HydrophobicContact CG1-CD1 3.94Å; V114-L172 HydrophobicContact CG1-CG 4.2Å; V114-L172 PolarHBondContact N-O 3.41Å; V114-L172 PolarHBondContact O-N 3.27Å; T116-L172 HydrophobicContact CG2-CD1 4.16Å; T116-L172 HydrophobicContact CG2-CD2 4.12Å; T116-L172 HydrophobicContact CG2-CG 4.21Å; F121-L172 HydrophobicContact CE1-CD2 4.46Å; F121-L172 HydrophobicContact CE2-CD2 3.52Å; F121-L172 HydrophobicContact CZ-CD1 4.09Å; F121-L172 HydrophobicContact CZ-CD2 3.3Å; F121-L172 HydrophobicContact CZ-CG 4.36Å; V131-L172 HydrophobicContact CG2-CD1 4.38Å; I150-L172 HydrophobicContact CD1-CD1 4.07Å; I150-L172 HydrophobicContact CG1-CD1 4.41Å; I150-L172 HydrophobicContact CG2-CB 4.28Å; V153-L172 HydrophobicContact CB-CD2 4.34Å; V153-L172 HydrophobicContact CG1-CD2 3.73Å; V153-L172 HydrophobicContact CG2-CD2 3.93Å; A170-L172 HydrophobicContact CB-CD2 4.04Å
173K96Very high89.7Confident77 Ų7761.2 Ų61.234%0.33528%0.276SS..EExtended strand (participates in β ladder)trans-95.7121.8163-173.970.6177.3-174.70108.4D112 A151 S152D112-K173 HydrophobicContact CB-CD 4.47Å; D112-K173 CarbonylContact O-C 3.59Å; D112-K173 WeakPolarHBondContact O-CA 3.03Å; D112-K173 WeakPolarHBondContact OD1-CE 3.44Å; D112-K173 IonicContact OD1-NZ 2.64Å; D112-K173 PolarHBondContact OD1-NZ 2.89Å; D112-K173 WeakPolarHBondContact OD2-CE 3.47Å; D112-K173 IonicContact OD2-NZ 3.34Å; D112-K173 PolarHBondContact OD2-NZ 2.93Å; A151-K173 HydrophobicContact CB-CG 4.4Å; A151-K173 PolarHBondContact N-O 3.17Å; S152-K173 PolarHBondContact N-O 3.09Å; S152-K173 PolarHBondContact O-N 3.08Å; S152-K173 VanDerWaalsContact OG-CB 3.28Å; S152-K173 WeakPolarHBondContact OG-CB 3.2Å
174L97.7Very high91.5Very high4 Ų451.5 Ų51.52%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-77.6148.4173.8-58.1-174.5000110.5L98 D112 V114 V131 V148 R176 L178L98-L174 HydrophobicContact CD1-CD1 4.31Å; D112-L174 HydrophobicContact CB-CB 4.08Å; D112-L174 WeakPolarHBondContact O-CG 3.26Å; D112-L174 PolarHBondContact O-N 2.92Å; V114-L174 HydrophobicContact CG2-CD1 4Å; V114-L174 HydrophobicContact CG2-CD2 4.09Å; V114-L174 HydrophobicContact CG2-CG 4.14Å; V131-L174 HydrophobicContact CB-CD2 4.1Å; V131-L174 HydrophobicContact CG1-CD2 4.33Å; V131-L174 HydrophobicContact CG2-CD2 3.78Å; V148-L174 HydrophobicContact CG1-CB 3.86Å; V148-L174 HydrophobicContact CG1-CD1 4.33Å; V148-L174 HydrophobicContact CG1-CD2 4.42Å; V148-L174 HydrophobicContact CG1-CG 4.43Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 VanDerWaalsContact CB-O 3.28Å; L174-R176 WeakPolarHBondContact CB-O 3.49Å; L174-R176 PolarHBondContact O-N 3.46Å; L174-L178 HydrophobicContact CD1-CD1 3.82Å; L174-L178 HydrophobicContact CD1-CG 4.03Å
175Q97.2Very high92.9Very high126 Ų12644.5 Ų44.559%0.58921%0.207SC*.EExtended strand (participates in β ladder)trans-70.2-25.3178.6-172.4169.917.500112.9K149 A151K149-Q175 HydrophobicContact CB-CB 4.06Å; K149-Q175 VanDerWaalsContact CB-OE1 3.27Å; K149-Q175 WeakPolarHBondContact O-CB 3.5Å; K149-Q175 PolarHBondContact O-N 3.08Å; A151-Q175 HydrophobicContact CB-CB 4.31Å
176R97.2Very high94.2Very high90 Ų9043.4 Ų43.434%0.3420%0.202SC..EExtended strand (participates in β ladder)trans-131.7147.416768172.3-172.488.1-11.4108.9V148 L174 D182V148-R176 HydrophobicContact CG1-CG 3.73Å; V148-R176 HydrophobicContact CG2-CG 4.08Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 VanDerWaalsContact CB-O 3.28Å; L174-R176 WeakPolarHBondContact CB-O 3.49Å; L174-R176 PolarHBondContact O-N 3.46Å; R176-D182 IonicContact CZ-OD1 3.53Å; R176-D182 IonicContact CZ-OD2 3.88Å; R176-D182 IonicContact NH1-OD1 3.26Å; R176-D182 PolarHBondContact NH1-OD1 2.81Å; R176-D182 IonicContact NH1-OD2 2.9Å; R176-D182 PolarHBondContact NH1-OD2 3.31Å; R176-D182 IonicContact NH2-OD1 2.87Å; R176-D182 PolarHBondContact NH2-OD1 2.98Å; R176-D182 IonicContact NH2-OD2 3.91Å
177P97.8Very high95.1Very high51 Ų5139 Ų3933%0.33119%0.185SC..EExtended strand (participates in β ladder)trans-62.7145.7166.827.8-33.2000110.4S111 D112 L179S111-P177 WeakPolarHBondContact O-CA 3.19Å; D112-P177 HydrophobicContact CB-CB 4.16Å; P177-L179 WeakPolarHBondContact O-CD1 3.46Å
178L98.2Very high95.8Very high1 Ų138.6 Ų38.61%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-88.8137.4163.1-69.2168.5000108L98 S110 S111 A133 A146 V148 L174 D182 V184L98-L178 HydrophobicContact CD1-CD1 4.34Å; L98-L178 HydrophobicContact CD2-CB 4.12Å; S110-L178 VanDerWaalsContact CA-O 3.26Å; S110-L178 WeakPolarHBondContact CA-O 3.34Å; S111-L178 PolarHBondContact N-O 2.93Å; S111-L178 PolarHBondContact O-N 3.28Å; A133-L178 HydrophobicContact CB-CD1 3.69Å; A146-L178 HydrophobicContact CB-CD2 3.7Å; V148-L178 HydrophobicContact CG2-CD2 3.52Å; V148-L178 HydrophobicContact CG2-CG 4.09Å; L174-L178 HydrophobicContact CD1-CD1 3.82Å; L174-L178 HydrophobicContact CD1-CG 4.03Å; L178-D182 WeakPolarHBondContact CA-OD2 3.19Å; L178-D182 HydrophobicContact CD2-CB 3.89Å; L178-V184 HydrophobicContact CB-CG2 3.58Å
179L96.7Very high96.1Very high52 Ų5240.4 Ų40.427%0.27219%0.191SC..EExtended strand (participates in β ladder)trans-117169.3-175-60.696.9000110.2P177 K181 D182 V184P177-L179 WeakPolarHBondContact O-CD1 3.46Å; L179-K181 HydrophobicContact CB-CG 3.99Å; L179-K181 PolarHBondContact O-N 2.8Å; L179-K181 VanDerWaalsContact O-N 3.08Å; L179-D182 PolarHBondContact N-OD2 3.37Å; L179-D182 WeakPolarHBondContact O-CA 3.47Å; L179-D182 WeakPolarHBondContact O-CB 3.27Å; L179-D182 PolarHBondContact O-N 3.45Å; L179-V184 WeakPolarHBondContact O-CG2 3.35Å
180R95.1Very high96.2Very high72 Ų7240.7 Ų40.727%0.27220%0.195SC..G310 helixtrans-48.2-37.8171.3179156.8176.654.227.4114.1V53 T60 N109 D182 N183 V184V53-R180 HydrophobicContact CG2-CB 4.49Å; T60-R180 VanDerWaalsContact CB-CZ 3.46Å; T60-R180 PolarHBondContact O-NE 3.31Å; T60-R180 PolarHBondContact O-NH2 2.93Å; T60-R180 PolarHBondContact OG1-NE 3.41Å; T60-R180 PolarHBondContact OG1-NH1 2.68Å; N109-R180 PolarHBondContact O-N 2.65Å; R180-D182 PolarHBondContact O-N 3.04Å; R180-N183 WeakPolarHBondContact O-CA 3.34Å; R180-N183 PolarHBondContact O-N 3.01Å; R180-V184 WeakPolarHBondContact CA-O 3.07Å
181K94.1Very high96Very high169 Ų16948.4 Ų48.474%0.73523%0.231SC*.G310 helixtrans-66.5-18.4176.167.2174.1-177.3179.90114.8L179 N183L179-K181 HydrophobicContact CB-CG 3.99Å; L179-K181 PolarHBondContact O-N 2.8Å; L179-K181 VanDerWaalsContact O-N 3.08Å; K181-N183 PolarHBondContact O-N 3.15Å
182D96.5Very high95.6Very high26 Ų2654.9 Ų54.914%0.13925%0.254CS..G310 helixtrans-83.412.6170.9-64.5-72.3000111.4A146 R176 L178 L179 R180 V184A146-D182 HydrophobicContact CB-CB 3.79Å; A146-D182 WeakPolarHBondContact CB-OD1 2.94Å; R176-D182 IonicContact CZ-OD1 3.53Å; R176-D182 IonicContact CZ-OD2 3.88Å; R176-D182 IonicContact NH1-OD1 3.26Å; R176-D182 PolarHBondContact NH1-OD1 2.81Å; R176-D182 IonicContact NH1-OD2 2.9Å; R176-D182 PolarHBondContact NH1-OD2 3.31Å; R176-D182 IonicContact NH2-OD1 2.87Å; R176-D182 PolarHBondContact NH2-OD1 2.98Å; R176-D182 IonicContact NH2-OD2 3.91Å; L178-D182 WeakPolarHBondContact CA-OD2 3.19Å; L178-D182 HydrophobicContact CD2-CB 3.89Å; L179-D182 PolarHBondContact N-OD2 3.37Å; L179-D182 WeakPolarHBondContact O-CA 3.47Å; L179-D182 WeakPolarHBondContact O-CB 3.27Å; L179-D182 PolarHBondContact O-N 3.45Å; R180-D182 PolarHBondContact O-N 3.04Å; D182-V184 HydrophobicContact CB-CG2 4.34Å
183N95.8Very high94.8Very high97 Ų9759.7 Ų59.752%0.51928%0.276SS..THydrogen-bonded Turntrans58.342.1-174.4-64.8-22.9000113.6R180 K181R180-N183 WeakPolarHBondContact O-CA 3.34Å; R180-N183 PolarHBondContact O-N 3.01Å; K181-N183 PolarHBondContact O-N 3.15Å
184V97.5Very high94.5Very high2 Ų257.5 Ų57.51%0.01227%0.27CS..  trans-132.8154.3176.7-58.10000113.2P79 L98 A133 L178 L179 R180 D182P79-V184 WeakPolarHBondContact O-CA 3.16Å; P79-V184 WeakPolarHBondContact O-CB 3.42Å; P79-V184 WeakPolarHBondContact O-CG1 3.38Å; L98-V184 HydrophobicContact CD2-CB 4.15Å; L98-V184 HydrophobicContact CD2-CG2 3.76Å; A133-V184 HydrophobicContact CB-CG1 3.71Å; L178-V184 HydrophobicContact CB-CG2 3.58Å; L179-V184 WeakPolarHBondContact O-CG2 3.35Å; R180-V184 WeakPolarHBondContact CA-O 3.07Å; D182-V184 HydrophobicContact CB-CG2 4.34Å
185V97.2Very high94.2Very high1 Ų160 Ų601%0.00629%0.285CS..  trans-138.9143.9161.4-66.10000107.7V53 D57 F61 P79 W80V53-V185 HydrophobicContact CG1-CB 4.24Å; V53-V185 HydrophobicContact CG1-CG1 3.57Å; D57-V185 WeakPolarHBondContact O-CG2 3.24Å; F61-V185 HydrophobicContact CE2-CG1 3.75Å; F61-V185 HydrophobicContact CE2-CG2 4.11Å; F61-V185 HydrophobicContact CZ-CG1 4.28Å; P79-V185 CarbonylContact C-O 3.41Å; P79-V185 HydrophobicContact CB-CG2 3.89Å; P79-V185 HydrophobicContact CG-CG2 3.38Å; P79-V185 PolarHBondContact O-N 3.5Å; W80-V185 WeakPolarHBondContact CA-O 3.46Å; W80-V185 WeakPolarHBondContact CB-O 3.45Å; W80-V185 HydrophobicContact CE3-CG2 4.37Å; W80-V185 PolarHBondContact N-O 3.15Å
186P97.7Very high94.1Very high2 Ų254.3 Ų54.31%0.01326%0.26CS..PPolyproline II helixtrans-71.1149.1179.628.5-33.3000111.6C55 G56 L98 H100 V108C55-P186 CarbonylContact C-O 3.24Å; C55-P186 WeakPolarHBondContact CA-O 3.39Å; C55-P186 HydrophobicContact CB-CG 4.43Å; G56-P186 PolarHBondContact N-O 3.32Å; L98-P186 HydrophobicContact CG-CB 4.36Å; L98-P186 CarbonylContact O-C 3.14Å; L98-P186 VanDerWaalsContact O-CA 3.26Å; L98-P186 WeakPolarHBondContact O-CA 3.46Å; H100-P186 HydrophobicContact CB-CB 4.01Å; H100-P186 HydrophobicContact CB-CG 4.03Å; V108-P186 HydrophobicContact CG1-CG 3.86Å; V108-P186 HydrophobicContact CG2-CG 4Å
187V97.8Very high94Very high0 Ų051.4 Ų51.40%025%0.252CS..BIsolated β-bridgetrans-80.3150.5168.170.90000110.3W80 L98 V99 H100 V259 A266 Q268W80-V187 HydrophobicContact CB-CB 4.05Å; W80-V187 HydrophobicContact CB-CG1 4.42Å; W80-V187 HydrophobicContact CD2-CB 3.62Å; W80-V187 HydrophobicContact CD2-CG2 4.02Å; W80-V187 HydrophobicContact CE3-CB 3.92Å; W80-V187 HydrophobicContact CE3-CG2 4.29Å; W80-V187 HydrophobicContact CG-CB 3.68Å; W80-V187 HydrophobicContact CG-CG1 4.27Å; W80-V187 HydrophobicContact CG-CG2 4.44Å; W80-V187 HydrophobicContact CZ2-CG2 4.38Å; L98-V187 PolarHBondContact O-N 2.89Å; V99-V187 HydrophobicContact CG1-CG1 3.81Å; H100-V187 PolarHBondContact N-O 2.88Å; V187-V259 HydrophobicContact CG2-CG1 4.13Å; V187-V259 HydrophobicContact CG2-CG2 4.27Å; V187-A266 HydrophobicContact CG2-CB 4.21Å; V187-A266 WeakPolarHBondContact CG2-O 3.46Å; V187-Q268 HydrophobicContact CG1-CB 3.79Å; V187-Q268 HydrophobicContact CG2-CB 4.27Å
188C96.8Very high93.7Very high2 Ų255.6 Ų55.61%0.01428%0.28CS..EExtended strand (participates in β ladder)trans-72.1147.8170.5-58.30000110.1C55 A266 Y267 Q268C55-C188 HydrophobicContact CB-CB 4.07Å; C55-C188 WeakPolarHBondContact CB-SG 3.47Å; C55-C188 PolarHBondContact O-SG 2.88Å; C55-C188 WeakPolarHBondContact SG-CA 3.35Å; C55-C188 WeakPolarHBondContact SG-CB 3.22Å; C55-C188 CovalentContact SG-SG 2.05Å; C55-C188 PolarHBondContact SG-SG 3.04Å; C188-A266 WeakPolarHBondContact CB-O 3.08Å; C188-A266 PolarHBondContact N-O 2.87Å; C188-Y267 HydrophobicContact CB-CD1 3.58Å; C188-Y267 HydrophobicContact CB-CE1 3.83Å; C188-Y267 HydrophobicContact CB-CG 4.31Å; C188-Y267 CarbonylContact O-C 3.52Å; C188-Y267 WeakPolarHBondContact O-CA 3.21Å; C188-Q268 PolarHBondContact O-N 3.38Å
189L95.5Very high93.4Very high38 Ų3862 Ų6220%0.19931%0.305CS..EExtended strand (participates in β ladder)trans-81.8135.7166.4-64.7176.2000108.8V99 L115 I294 I296V99-L189 HydrophobicContact CB-CD2 4.04Å; V99-L189 HydrophobicContact CB-CG 4.39Å; V99-L189 HydrophobicContact CG1-CD2 3.84Å; L115-L189 HydrophobicContact CD1-CD2 3.75Å; L189-I294 HydrophobicContact CD2-CD1 4.12Å; L189-I294 HydrophobicContact CD2-CG2 4.45Å; L189-I296 HydrophobicContact CD1-CD1 4.06Å
190A93.7Very high93.4Very high19 Ų1960.3 Ų60.316%0.15730%0.298CS..PPolyproline II helixtrans-63.1157.2170.300000110.7Q268 Y269A190-Q268 WeakPolarHBondContact CB-O 3.45Å; A190-Q268 PolarHBondContact N-O 3.26Å; A190-Y269 HydrophobicContact CB-CD1 3.56Å; A190-Y269 HydrophobicContact CB-CD2 4.02Å; A190-Y269 HydrophobicContact CB-CE1 3.66Å; A190-Y269 HydrophobicContact CB-CE2 4.11Å; A190-Y269 HydrophobicContact CB-CG 3.76Å
191Q89Confident93.5Very high163 Ų16359.2 Ų59.276%0.76230%0.302SS*.PPolyproline II helixtrans-58147.9174.5-66.9-1772.500110.6E193 S194Q191-E193 PolarHBondContact O-N 3.25Å; Q191-S194 PolarHBondContact N-OG 3.16Å; Q191-S194 WeakPolarHBondContact O-CB 3.47Å; Q191-S194 PolarHBondContact O-N 2.68Å; Q191-S194 VanDerWaalsContact O-N 3.09Å; Q191-S194 PolarHBondContact O-OG 3.15Å
192R83.9Confident93.6Very high160 Ų16051.3 Ų51.360%0.60427%0.268SS*.THydrogen-bonded Turntrans-50.6130.8178.9172.8175.1173.2169.63.1110.2S194 L295R192-S194 PolarHBondContact O-N 3.46Å; R192-L295 VanDerWaalsContact CD-CD1 3.42Å; R192-L295 HydrophobicContact CG-CD1 3.59Å
193E79.5Confident93.7Very high102 Ų10250.8 Ų50.848%0.47726%0.264SS..THydrogen-bonded Turntrans59.410.2175.1-65.1172.8-143.700115.1Q191 R226Q191-E193 PolarHBondContact O-N 3.25Å; E193-R226 PolarHBondContact O-NH2 3.03Å
194S89.2Confident93.7Very high30 Ų3046.2 Ų46.221%0.2124%0.239CC..  trans-72.5150.2172.566.60000111.1Q191 R192 Y269Q191-S194 PolarHBondContact N-OG 3.16Å; Q191-S194 WeakPolarHBondContact O-CB 3.47Å; Q191-S194 PolarHBondContact O-N 2.68Å; Q191-S194 VanDerWaalsContact O-N 3.09Å; Q191-S194 PolarHBondContact O-OG 3.15Å; R192-S194 PolarHBondContact O-N 3.46Å; S194-Y269 WeakPolarHBondContact OG-CE1 3.44Å
195V92.3Very high93.7Very high56 Ų5646.1 Ų46.134%0.33924%0.239SC..  trans-110.2154167.8-640000108.5A225 R226 I241 Y269V195-A225 HydrophobicContact CB-CB 3.99Å; V195-A225 HydrophobicContact CG1-CB 4Å; V195-A225 HydrophobicContact CG2-CB 4.38Å; V195-R226 HydrophobicContact CG1-CG 4.04Å; V195-I241 HydrophobicContact CG1-CD1 4.42Å; V195-I241 HydrophobicContact CG1-CG1 4.31Å; V195-Y269 WeakPolarHBondContact O-CE1 3.45Å
196P94.7Very high93.7Very high8 Ų846.4 Ų46.45%0.05224%0.24CC..  trans-56.3135.5175.8-23.933.1000110.7C202 I221 M258 C260 Y269P196-C202 VanDerWaalsContact CB-SG 3.53Å; P196-I221 HydrophobicContact CB-CG1 4.13Å; P196-I221 HydrophobicContact CG-CD1 4.13Å; P196-I221 HydrophobicContact CG-CG1 4.05Å; P196-M258 HydrophobicContact CG-CE 3.98Å; P196-C260 HydrophobicContact CB-CB 4.32Å; P196-C260 WeakPolarHBondContact CG-SG 3.48Å; P196-Y269 HydrophobicContact CB-CD2 4.48Å; P196-Y269 HydrophobicContact CB-CE1 4.46Å; P196-Y269 HydrophobicContact CB-CE2 4.38Å; P196-Y269 HydrophobicContact CG-CD1 3.81Å; P196-Y269 HydrophobicContact CG-CD2 3.95Å; P196-Y269 HydrophobicContact CG-CE1 4.18Å; P196-Y269 HydrophobicContact CG-CE2 4.32Å; P196-Y269 HydrophobicContact CG-CG 3.67Å; P196-Y269 VanDerWaalsContact N-CE1 3.34Å
197P94.2Very high93.6Very high28 Ų2846.7 Ų46.718%0.18224%0.241CC..  trans-68.5153.2176.129-32.8000110.2Y199 A200 V262P197-Y199 HydrophobicContact CB-CD1 3.98Å; P197-Y199 HydrophobicContact CB-CE1 3.51Å; P197-Y199 HydrophobicContact CB-CE2 4.43Å; P197-Y199 HydrophobicContact CG-CD1 4.44Å; P197-Y199 HydrophobicContact CG-CD2 4.49Å; P197-Y199 HydrophobicContact CG-CE1 3.87Å; P197-Y199 HydrophobicContact CG-CE2 3.89Å; P197-Y199 PolarHBondContact O-N 3.29Å; P197-Y199 VanDerWaalsContact O-N 3.07Å; P197-A200 HydrophobicContact CG-CB 3.83Å; P197-A200 WeakPolarHBondContact O-CB 3.46Å; P197-A200 PolarHBondContact O-N 2.9Å; P197-V262 HydrophobicContact CG-CG1 4.32Å; P197-V262 HydrophobicContact CG-CG2 4.12Å
198P91.7Very high93.5Very high139 Ų13947 Ų4790%0.90324%0.242SC*.THydrogen-bonded Turntrans-59.2-26.1-172.1-26.634.9000115.5
199Y93.7Very high93.4Very high137 Ų13751.8 Ų51.854%0.53726%0.26SS..THydrogen-bonded Turntrans-84.2-11.9178.962.2-100.4000113.5P197 V262 H263P197-Y199 HydrophobicContact CB-CD1 3.98Å; P197-Y199 HydrophobicContact CB-CE1 3.51Å; P197-Y199 HydrophobicContact CB-CE2 4.43Å; P197-Y199 HydrophobicContact CG-CD1 4.44Å; P197-Y199 HydrophobicContact CG-CD2 4.49Å; P197-Y199 HydrophobicContact CG-CE1 3.87Å; P197-Y199 HydrophobicContact CG-CE2 3.89Å; P197-Y199 PolarHBondContact O-N 3.29Å; P197-Y199 VanDerWaalsContact O-N 3.07Å; Y199-V262 HydrophobicContact CE2-CG1 4.14Å; Y199-H263 AromaticContact CE2-NE2 3.95Å; Y199-H263 AromaticContact CZ-NE2 3.77Å; Y199-H263 PolarHBondContact OH-CE1 3.15Å; Y199-H263 VanDerWaalsContact OH-CE1 3.24Å; Y199-H263 PolarHBondContact OH-NE2 2.53Å
200A96.2Very high93.3Very high16 Ų1656.5 Ų56.513%0.13228%0.281CS..  trans-75.1135.6-176.200000111.3P197 C260 V262P197-A200 HydrophobicContact CG-CB 3.83Å; P197-A200 WeakPolarHBondContact O-CB 3.46Å; P197-A200 PolarHBondContact O-N 2.9Å; A200-C260 HydrophobicContact CB-CB 4.14Å; A200-V262 HydrophobicContact CB-CG2 3.99Å
201S96.4Very high93.3Very high49 Ų4961.3 Ų61.334%0.34330%0.3SS..EExtended strand (participates in β ladder)trans-83.6117.4169.1-61.10000109.3C260 I261S201-C260 WeakPolarHBondContact O-CA 3.31Å; S201-I261 PolarHBondContact O-N 2.04Å
202C97.3Very high93.6Very high3 Ų357.6 Ų57.62%0.0228%0.283CS..EExtended strand (participates in β ladder)trans-104.6141.2179.9-64.40000111.2P196 I218 V219 I221 V259 C260P196-C202 VanDerWaalsContact CB-SG 3.53Å; C202-I218 WeakPolarHBondContact O-CA 3.3Å; C202-V219 HydrophobicContact CB-CG2 3.85Å; C202-V219 PolarHBondContact O-N 2.9Å; C202-I221 HydrophobicContact CB-CD1 4.3Å; C202-I221 HydrophobicContact CB-CG1 4.47Å; C202-V259 CarbonylContact C-O 3.51Å; C202-V259 WeakPolarHBondContact CA-O 3.5Å; C202-C260 HydrophobicContact CB-CB 4.1Å; C202-C260 WeakPolarHBondContact CB-SG 3.34Å; C202-C260 WeakPolarHBondContact SG-CB 3.21Å; C202-C260 CovalentContact SG-SG 2.04Å; C202-C260 PolarHBondContact SG-SG 2.52Å
203Y97.1Very high94.1Very high15 Ų1551.7 Ų51.76%0.05926%0.26CS..EExtended strand (participates in β ladder)trans-131.8146.4-178.5-58.2-89.8000110V69 F78 E217 I218 M258 V259 I261V69-Y203 HydrophobicContact CB-CD1 4.34Å; V69-Y203 HydrophobicContact CB-CE1 3.76Å; V69-Y203 HydrophobicContact CG1-CD1 3.75Å; V69-Y203 HydrophobicContact CG1-CE1 3.67Å; V69-Y203 HydrophobicContact CG1-CE2 4.46Å; V69-Y203 HydrophobicContact CG1-CG 4.19Å; V69-Y203 HydrophobicContact CG2-CE1 4.07Å; V69-Y203 HydrophobicContact CG2-CE2 4.38Å; F78-Y203 HydrophobicContact CE2-CD2 4.48Å; F78-Y203 HydrophobicContact CE2-CG 4.31Å; F78-Y203 HydrophobicContact CZ-CD2 4.32Å; F78-Y203 HydrophobicContact CZ-CG 4.48Å; Y203-E217 CarbonylContact C-O 3.56Å; Y203-E217 VanDerWaalsContact CA-O 3.23Å; Y203-E217 WeakPolarHBondContact CA-O 3.43Å; Y203-I218 HydrophobicContact CD1-CB 4.07Å; Y203-I218 HydrophobicContact CE1-CB 3.91Å; Y203-I218 HydrophobicContact CE1-CD1 4.49Å; Y203-I218 HydrophobicContact CE1-CG1 4.17Å; Y203-M258 WeakPolarHBondContact O-CA 3.45Å; Y203-V259 PolarHBondContact N-O 2.84Å; Y203-V259 PolarHBondContact O-N 2.87Å; Y203-I261 HydrophobicContact CD2-CD1 4.47Å; Y203-I261 HydrophobicContact CE2-CD1 3.88Å; Y203-I261 HydrophobicContact CE2-CG1 4.37Å
204V97.1Very high94.9Very high0 Ų046.9 Ų46.90%024%0.238CC..EExtended strand (participates in β ladder)trans-116.1139.7167.568.90000109.9E216 E217 V219 Q253 Y291V204-E216 WeakPolarHBondContact O-CA 3.47Å; V204-E217 HydrophobicContact CG1-CB 4.21Å; V204-E217 PolarHBondContact N-O 3.37Å; V204-E217 PolarHBondContact O-N 3.31Å; V204-V219 HydrophobicContact CB-CG1 4.08Å; V204-V219 HydrophobicContact CG1-CG1 3.52Å; V204-Q253 HydrophobicContact CG2-CG 3.84Å; V204-Y291 HydrophobicContact CB-CE1 4.39Å; V204-Y291 WeakPolarHBondContact CB-OH 3.29Å; V204-Y291 HydrophobicContact CG2-CE1 3.87Å; V204-Y291 WeakPolarHBondContact CG2-OH 3.42Å
205T96.8Very high95Very high1 Ų146.7 Ų46.71%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-85.8140.7175.9-55.40000110.6N81 I95 I214 D215 S256N81-T205 HydrophobicContact CB-CG2 4.28Å; N81-T205 VanDerWaalsContact ND2-CG2 3.33Å; N81-T205 WeakPolarHBondContact ND2-CG2 3.04Å; N81-T205 PolarHBondContact ND2-OG1 3.36Å; N81-T205 PolarHBondContact OD1-OG1 3.08Å; I95-T205 HydrophobicContact CG2-CG2 3.87Å; T205-I214 HydrophobicContact CG2-CG2 3.31Å; T205-D215 WeakPolarHBondContact CA-O 3.46Å; T205-S256 WeakPolarHBondContact O-CB 3.33Å; T205-S256 PolarHBondContact O-OG 3.33Å
206H96.4Very high95.2Very high7 Ų745.4 Ų45.43%0.03223%0.225CC..EExtended strand (participates in β ladder)trans-134.8157.4169.462.836000111.1I214 D215 E217 Y251 I252H206-I214 VanDerWaalsContact O-CA 3.27Å; H206-I214 WeakPolarHBondContact O-CA 3.34Å; H206-D215 IonicContact CE1-OD2 3.78Å; H206-D215 PolarHBondContact N-O 3.06Å; H206-D215 PolarHBondContact ND1-O 2.05Å; H206-D215 PolarHBondContact O-N 3.02Å; H206-E217 IonicContact CD2-OE2 3.72Å; H206-Y251 HydrophobicContact CB-CD2 4.27Å; H206-Y251 HydrophobicContact CB-CG 4.32Å; H206-Y251 AromaticContact CD2-CD2 3.19Å; H206-Y251 WeakPolarHBondContact CD2-CD2 3.39Å; H206-Y251 AromaticContact CD2-CE2 3.1Å; H206-Y251 WeakPolarHBondContact CD2-CE2 3.5Å; H206-Y251 AromaticContact CD2-CG 3.91Å; H206-Y251 AromaticContact CD2-CZ 3.74Å; H206-Y251 AromaticContact CE1-CE2 3.87Å; H206-Y251 AromaticContact CE1-CZ 3.69Å; H206-Y251 AromaticContact CG-CD2 3.8Å; H206-Y251 AromaticContact NE2-CD2 3.62Å; H206-Y251 AromaticContact NE2-CE1 3.98Å; H206-Y251 AromaticContact NE2-CE2 3Å; H206-Y251 WeakPolarHBondContact NE2-CE2 3.43Å; H206-Y251 AromaticContact NE2-CZ 3.19Å; H206-Y251 PolarHBondContact NE2-OH 3.43Å; H206-I252 CarbonylContact C-O 3.57Å; H206-I252 WeakPolarHBondContact CA-O 3.36Å
207Y97.1Very high95.1Very high8 Ų847.5 Ų47.53%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-105.6122.7166.2169.5-91.3000110.6I83 T92 F138 R209 H212 R213 I214 Y251 I252I83-Y207 HydrophobicContact CD1-CD2 4.25Å; T92-Y207 HydrophobicContact CG2-CD1 3.96Å; T92-Y207 HydrophobicContact CG2-CE1 4.35Å; T92-Y207 HydrophobicContact CG2-CG 4.12Å; F138-Y207 HydrophobicContact CB-CE2 4.18Å; F138-Y207 HydrophobicContact CD1-CE2 4.43Å; F138-Y207 WeakPolarHBondContact O-CE2 3.29Å; F138-Y207 PolarHBondContact O-OH 2.89Å; Y207-R209 HydrophobicContact CD1-CG 4.28Å; Y207-R209 HydrophobicContact CE1-CG 4.08Å; Y207-H212 PolarHBondContact OH-ND1 2.91Å; Y207-H212 VanDerWaalsContact OH-ND1 3.17Å; Y207-R213 CarbonylContact C-O 3.6Å; Y207-R213 WeakPolarHBondContact CA-O 3.13Å; Y207-R213 WeakPolarHBondContact CD2-O 3.37Å; Y207-I214 HydrophobicContact CD2-CG1 4.42Å; Y207-Y251 WeakPolarHBondContact O-CA 3.23Å; Y207-I252 HydrophobicContact CD1-CB 4.39Å; Y207-I252 HydrophobicContact CD1-CD1 3.56Å; Y207-I252 HydrophobicContact CD1-CG1 4.08Å; Y207-I252 HydrophobicContact CE1-CD1 4.11Å; Y207-I252 PolarHBondContact N-O 3.35Å; Y207-I252 PolarHBondContact O-N 3.08Å
208D95.6Very high95.1Very high6 Ų651.4 Ų51.43%0.03225%0.252CS..EExtended strand (participates in β ladder)trans-80.9119.6172.8-168.3-32.6000110.3H210 E211 H212 R213 H250 Y251D208-H210 WeakPolarHBondContact OD1-CA 3.39Å; D208-H210 WeakPolarHBondContact OD1-CB 3.28Å; D208-H210 IonicContact OD1-CG 3.13Å; D208-H210 PolarHBondContact OD1-N 2.91Å; D208-E211 HydrophobicContact CB-CB 4.12Å; D208-E211 PolarHBondContact OD1-N 2.83Å; D208-E211 VanDerWaalsContact OD1-N 3.16Å; D208-H212 VanDerWaalsContact O-CA 3.28Å; D208-H212 WeakPolarHBondContact O-CA 3.43Å; D208-H212 PolarHBondContact O-N 3.03Å; D208-R213 PolarHBondContact N-O 3.31Å; D208-R213 PolarHBondContact O-N 2.98Å; D208-H250 IonicContact OD1-CD2 2.69Å; D208-H250 PolarHBondContact OD1-CD2 2.93Å; D208-H250 IonicContact OD2-CD2 3.45Å; D208-H250 IonicContact OD2-NE2 3.71Å; D208-Y251 HydrophobicContact CB-CD1 4.28Å; D208-Y251 HydrophobicContact CB-CE1 4.06Å; D208-Y251 WeakPolarHBondContact OD2-CE1 3.3Å
209R94.5Very high95.3Very high103 Ų10345 Ų4539%0.38921%0.211SC..THydrogen-bonded Turntrans-71.7-27.6177.6-72.5177-174.7-772.4114Y207 H212 H250 I252Y207-R209 HydrophobicContact CD1-CG 4.28Å; Y207-R209 HydrophobicContact CE1-CG 4.08Å; R209-H212 PolarHBondContact O-CE1 2.77Å; R209-H212 PolarHBondContact O-ND1 2.83Å; R209-H212 VanDerWaalsContact O-ND1 3.12Å; R209-H250 WeakPolarHBondContact CB-O 3.12Å; R209-H250 WeakPolarHBondContact CD-O 3.47Å; R209-H250 WeakPolarHBondContact CG-O 3.17Å; R209-H250 PolarHBondContact N-O 3.18Å; R209-I252 HydrophobicContact CG-CD1 4.1Å; R209-I252 HydrophobicContact CG-CG1 4.12Å; R209-I252 VanDerWaalsContact CZ-CG1 3.47Å; R209-I252 VanDerWaalsContact NH2-CG1 3.33Å
210H93.9Very high95.4Very high136 Ų13644.7 Ų44.763%0.6322%0.215SC*.THydrogen-bonded Turntrans-80.3-48179.2-62.5-50.5000110.4D208 H212 H250D208-H210 WeakPolarHBondContact OD1-CA 3.39Å; D208-H210 WeakPolarHBondContact OD1-CB 3.28Å; D208-H210 IonicContact OD1-CG 3.13Å; D208-H210 PolarHBondContact OD1-N 2.91Å; H210-H212 VanDerWaalsContact C-N 3.34Å; H210-H250 WeakPolarHBondContact CD2-CB 3.36Å; H210-H250 AromaticContact CD2-CD2 3.57Å; H210-H250 AromaticContact CD2-CG 3.31Å; H210-H250 AromaticContact CD2-ND1 3.78Å; H210-H250 WeakPolarHBondContact NE2-CB 3.31Å; H210-H250 AromaticContact NE2-CG 3.55Å; H210-H250 AromaticContact NE2-ND1 3.86Å
211E93.7Very high95.2Very high121 Ų12146.1 Ų46.157%0.56522%0.22SC*.THydrogen-bonded Turntrans-85.1-9.6-178-62-169.7-175.300113.6D208 R213D208-E211 HydrophobicContact CB-CB 4.12Å; D208-E211 PolarHBondContact OD1-N 2.83Å; D208-E211 VanDerWaalsContact OD1-N 3.16Å; E211-R213 VanDerWaalsContact C-N 3.27Å; E211-R213 HydrophobicContact CB-CG 3.72Å; E211-R213 PolarHBondContact O-N 3.15Å; E211-R213 WeakPolarHBondContact OE2-CD 3.37Å
212H95Very high94.8Very high85 Ų8545.2 Ų45.239%0.39421%0.213SC..THydrogen-bonded Turntrans55.740.3-178.9-65.5-39.1000113.3R137 F138 Y207 D208 R209 H210R137-H212 WeakPolarHBondContact CA-O 3.44Å; F138-H212 CarbonylContact C-O 3.46Å; F138-H212 PolarHBondContact N-O 2.93Å; F138-H212 WeakPolarHBondContact O-CB 3.45Å; Y207-H212 PolarHBondContact OH-ND1 2.91Å; Y207-H212 VanDerWaalsContact OH-ND1 3.17Å; D208-H212 VanDerWaalsContact O-CA 3.28Å; D208-H212 WeakPolarHBondContact O-CA 3.43Å; D208-H212 PolarHBondContact O-N 3.03Å; R209-H212 PolarHBondContact O-CE1 2.77Å; R209-H212 PolarHBondContact O-ND1 2.83Å; R209-H212 VanDerWaalsContact O-ND1 3.12Å; H210-H212 VanDerWaalsContact C-N 3.34Å
213R94.6Very high94Very high35 Ų3557.4 Ų57.413%0.13226%0.258CS..EExtended strand (participates in β ladder)trans-139159.9-177.365.2179.8-66.1164.7-10.8112.9Q75 P136 Y207 D208 E211 D215Q75-R213 VanDerWaalsContact CA-NH2 3.34Å; Q75-R213 PolarHBondContact O-NH2 3.08Å; Q75-R213 VanDerWaalsContact O-NH2 3.15Å; P136-R213 CarbonylContact O-C 3.56Å; P136-R213 WeakPolarHBondContact O-CA 3.44Å; Y207-R213 CarbonylContact C-O 3.6Å; Y207-R213 WeakPolarHBondContact CA-O 3.13Å; Y207-R213 WeakPolarHBondContact CD2-O 3.37Å; D208-R213 PolarHBondContact N-O 3.31Å; D208-R213 PolarHBondContact O-N 2.98Å; E211-R213 VanDerWaalsContact C-N 3.27Å; E211-R213 HydrophobicContact CB-CG 3.72Å; E211-R213 PolarHBondContact O-N 3.15Å; E211-R213 WeakPolarHBondContact OE2-CD 3.37Å; R213-D215 IonicContact CZ-OD1 3.04Å; R213-D215 IonicContact NE-OD1 3.82Å; R213-D215 PolarHBondContact NE-OD1 2.56Å; R213-D215 IonicContact NE-OD2 2.75Å; R213-D215 PolarHBondContact NE-OD2 2.81Å; R213-D215 IonicContact NH2-OD1 2.68Å; R213-D215 PolarHBondContact NH2-OD1 2.8Å
214I94.8Very high93.3Very high1 Ų163.2 Ų63.21%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-89.6138.8165.5-74.1171.4000108.6M77 N81 I83 P136 T205 H206 Y207M77-I214 HydrophobicContact CB-CB 4.07Å; M77-I214 HydrophobicContact CB-CG2 3.6Å; M77-I214 HydrophobicContact SD-CB 4.2Å; M77-I214 HydrophobicContact SD-CD1 3.53Å; M77-I214 VanDerWaalsContact SD-CD1 3.53Å; M77-I214 HydrophobicContact SD-CG1 4.44Å; M77-I214 HydrophobicContact SD-CG2 4.33Å; N81-I214 HydrophobicContact CB-CD1 4.31Å; I83-I214 HydrophobicContact CD1-CD1 3.58Å; I83-I214 HydrophobicContact CD1-CG1 3.99Å; I83-I214 HydrophobicContact CG1-CD1 3.36Å; I83-I214 HydrophobicContact CG1-CG1 4.13Å; P136-I214 PolarHBondContact O-N 3.37Å; T205-I214 HydrophobicContact CG2-CG2 3.31Å; H206-I214 VanDerWaalsContact O-CA 3.27Å; H206-I214 WeakPolarHBondContact O-CA 3.34Å; Y207-I214 HydrophobicContact CD2-CG1 4.42Å
215D92.8Very high92.8Very high27 Ų2763.8 Ų63.814%0.14430%0.296CS..EExtended strand (participates in β ladder)trans-138.8172.6162.5-45.8-72.4000111.2T205 H206 R213T205-D215 WeakPolarHBondContact CA-O 3.46Å; H206-D215 IonicContact CE1-OD2 3.78Å; H206-D215 PolarHBondContact N-O 3.06Å; H206-D215 PolarHBondContact ND1-O 2.05Å; H206-D215 PolarHBondContact O-N 3.02Å; R213-D215 IonicContact CZ-OD1 3.04Å; R213-D215 IonicContact NE-OD1 3.82Å; R213-D215 PolarHBondContact NE-OD1 2.56Å; R213-D215 IonicContact NE-OD2 2.75Å; R213-D215 PolarHBondContact NE-OD2 2.81Å; R213-D215 IonicContact NH2-OD1 2.68Å; R213-D215 PolarHBondContact NH2-OD1 2.8Å
216E94.9Very high92.3Very high29 Ų2969 Ų6914%0.13632%0.315CS..EExtended strand (participates in β ladder)trans-112.7128.5-176.6-70.365.5-157.800109.6V69 M77 F78 N81 V204V69-E216 HydrophobicContact CG1-CB 3.95Å; V69-E216 HydrophobicContact CG1-CG 4.28Å; M77-E216 VanDerWaalsContact CA-OE1 3.23Å; M77-E216 WeakPolarHBondContact CA-OE1 3.49Å; F78-E216 HydrophobicContact CD2-CG 3.38Å; F78-E216 HydrophobicContact CE2-CB 4.29Å; F78-E216 HydrophobicContact CE2-CG 3.43Å; F78-E216 VanDerWaalsContact CE2-CG 3.43Å; F78-E216 HydrophobicContact CG-CG 4.25Å; F78-E216 HydrophobicContact CZ-CG 4.31Å; F78-E216 PolarHBondContact N-OE1 3.26Å; N81-E216 PolarHBondContact ND2-OE1 2.88Å; V204-E216 WeakPolarHBondContact O-CA 3.47Å
217E93.7Very high91.8Very high51 Ų5169.8 Ų69.824%0.23832%0.321CS..EExtended strand (participates in β ladder)trans-112.8130.7175.6-173.1171.1-178.900109.2Y203 V204 H206Y203-E217 CarbonylContact C-O 3.56Å; Y203-E217 VanDerWaalsContact CA-O 3.23Å; Y203-E217 WeakPolarHBondContact CA-O 3.43Å; V204-E217 HydrophobicContact CG1-CB 4.21Å; V204-E217 PolarHBondContact N-O 3.37Å; V204-E217 PolarHBondContact O-N 3.31Å; H206-E217 IonicContact CD2-OE2 3.72Å
218I94.9Very high90.9Very high111 Ų11172.2 Ų72.257%0.56933%0.334SS*.EExtended strand (participates in β ladder)trans-67.5134173.8-170.6169.3000109.7C202 Y203C202-I218 WeakPolarHBondContact O-CA 3.3Å; Y203-I218 HydrophobicContact CD1-CB 4.07Å; Y203-I218 HydrophobicContact CE1-CB 3.91Å; Y203-I218 HydrophobicContact CE1-CD1 4.49Å; Y203-I218 HydrophobicContact CE1-CG1 4.17Å
219V95.6Very high89.7Confident5 Ų572.4 Ų72.43%0.0334%0.337CS..EExtended strand (participates in β ladder)trans-123.7138178.5-610000110.7C202 V204 A243 E245 M258C202-V219 HydrophobicContact CB-CG2 3.85Å; C202-V219 PolarHBondContact O-N 2.9Å; V204-V219 HydrophobicContact CB-CG1 4.08Å; V204-V219 HydrophobicContact CG1-CG1 3.52Å; V219-A243 HydrophobicContact CB-CB 3.85Å; V219-A243 HydrophobicContact CG2-CB 4Å; V219-E245 HydrophobicContact CG1-CB 4.15Å; V219-M258 HydrophobicContact CG2-CG 4.44Å
220M94.4Very high88.2Confident129 Ų12968.2 Ų68.264%0.63532%0.324SS*.EExtended strand (participates in β ladder)trans-96.1120.9179-64.5-176.3-76.900110.2A243 V244M220-A243 CarbonylContact O-C 3.49Å; M220-A243 VanDerWaalsContact O-CA 3.26Å; M220-A243 WeakPolarHBondContact O-CA 3.48Å; M220-V244 HydrophobicContact CB-CB 4.41Å; M220-V244 HydrophobicContact CE-CG1 4.5Å; M220-V244 PolarHBondContact O-N 3.43Å
221I93.3Very high86.5Confident46 Ų4668.6 Ų68.624%0.23633%0.326CS..EExtended strand (participates in β ladder)trans-70.6134.5174.6-52.3-55.8000109.1P196 C202 A225 I241 A243 M258P196-I221 HydrophobicContact CB-CG1 4.13Å; P196-I221 HydrophobicContact CG-CD1 4.13Å; P196-I221 HydrophobicContact CG-CG1 4.05Å; C202-I221 HydrophobicContact CB-CD1 4.3Å; C202-I221 HydrophobicContact CB-CG1 4.47Å; I221-A225 HydrophobicContact CG2-CB 3.42Å; I221-A225 VanDerWaalsContact CG2-CB 3.42Å; I221-I241 HydrophobicContact CD1-CG2 4.29Å; I221-I241 HydrophobicContact CG2-CG2 4.39Å; I221-A243 HydrophobicContact CD1-CB 4Å; I221-M258 HydrophobicContact CD1-CE 4.29Å; I221-M258 HydrophobicContact CD1-SD 3.62Å
222T86.7Confident84.6Confident31 Ų3166.3 Ų66.319%0.1934%0.335CS..EExtended strand (participates in β ladder)trans-65.6151.2177.147.60000110.9N224 A225 C242 V244 L288T222-N224 CarbonylContact O-C 3.31Å; T222-N224 VanDerWaalsContact O-C 3.31Å; T222-N224 PolarHBondContact O-N 3.11Å; T222-N224 PolarHBondContact OG1-O 3.19Å; T222-A225 WeakPolarHBondContact O-CA 3.1Å; T222-A225 PolarHBondContact O-N 3.5Å; T222-C242 PolarHBondContact N-O 2.72Å; T222-C242 PolarHBondContact OG1-O 2.96Å; T222-V244 HydrophobicContact CG2-CG2 3.85Å; T222-L288 HydrophobicContact CG2-CD2 4.05Å
223R81.8Confident82.7Confident258 Ų25862.6 Ų62.697%0.97432%0.319SS*.EExtended strand (participates in β ladder)trans-50.3-45.9176.6-70.2-174.4-179-134.21.9111.9A225R223-A225 PolarHBondContact O-N 3.23Å
224N82.9Confident80.6Confident137 Ų13768.6 Ų68.673%0.73335%0.354SS*.EExtended strand (participates in β ladder)trans-88.188.2162.8-68.5-23.7000108T222 R226T222-N224 CarbonylContact O-C 3.31Å; T222-N224 VanDerWaalsContact O-C 3.31Å; T222-N224 PolarHBondContact O-N 3.11Å; T222-N224 PolarHBondContact OG1-O 3.19Å; N224-R226 PolarHBondContact O-N 3.4Å
225A84.8Confident78.8Confident13 Ų1369.8 Ų69.811%0.10736%0.363CS..EExtended strand (participates in β ladder)trans-57.8-33.5-176.400000112V195 I221 T222 R223 I241 C242V195-A225 HydrophobicContact CB-CB 3.99Å; V195-A225 HydrophobicContact CG1-CB 4Å; V195-A225 HydrophobicContact CG2-CB 4.38Å; I221-A225 HydrophobicContact CG2-CB 3.42Å; I221-A225 VanDerWaalsContact CG2-CB 3.42Å; T222-A225 WeakPolarHBondContact O-CA 3.1Å; T222-A225 PolarHBondContact O-N 3.5Å; R223-A225 PolarHBondContact O-N 3.23Å; A225-I241 CarbonylContact O-C 3.56Å; A225-I241 VanDerWaalsContact O-CA 3.26Å; A225-I241 WeakPolarHBondContact O-CA 3.35Å; A225-C242 PolarHBondContact O-N 2.89Å
226R87.9Confident77.2Confident109 Ų10972.3 Ų72.341%0.41138%0.381SS..EExtended strand (participates in β ladder)trans-81.6131.1178.7-66.1-172.9175.9-133.510.3110.9E193 V195 N224 G240E193-R226 PolarHBondContact O-NH2 3.03Å; V195-R226 HydrophobicContact CG1-CG 4.04Å; N224-R226 PolarHBondContact O-N 3.4Å; R226-G240 WeakPolarHBondContact CA-O 3.32Å
227C84.6Confident75.5Confident24 Ų2473.3 Ų73.316%0.16239%0.386CS..EExtended strand (participates in β ladder)trans-136.6163.7175.864.60000110.8R239 G240 C242C227-R239 WeakPolarHBondContact O-CA 3.49Å; C227-G240 PolarHBondContact N-O 2.94Å; C227-G240 VanDerWaalsContact N-O 3.16Å; C227-G240 PolarHBondContact O-N 3.37Å; C227-C242 HydrophobicContact CB-CB 3.64Å; C227-C242 WeakPolarHBondContact CB-SG 3.29Å; C227-C242 VanDerWaalsContact SG-CA 3.59Å; C227-C242 WeakPolarHBondContact SG-CB 3.23Å; C227-C242 PolarHBondContact SG-N 2.89Å; C227-C242 VanDerWaalsContact SG-N 3.37Å; C227-C242 CovalentContact SG-SG 2.01Å; C227-C242 PolarHBondContact SG-SG 2.96Å
228L78.4Confident74Confident59 Ų5971.2 Ų71.231%0.30938%0.376SS..EExtended strand (participates in β ladder)trans-98.5140.1174.6-60.4165.9000109.1A230 S233 F238 R239L228-A230 VanDerWaalsContact CB-O 3.26Å; L228-A230 WeakPolarHBondContact CB-O 3.46Å; L228-A230 PolarHBondContact O-N 2.92Å; L228-S233 WeakPolarHBondContact CD1-O 3.33Å; L228-F238 WeakPolarHBondContact CA-O 3.49Å; L228-F238 HydrophobicContact CB-CB 4.34Å; L228-F238 HydrophobicContact CD2-CB 3.7Å; L228-R239 HydrophobicContact CD2-CG 3.98Å
229A69.6Low73.2Confident11 Ų1172.1 Ų72.19%0.09137%0.372CS..SBendtrans-64.2-22.4173.900000113W160 F238 L276 F290W160-A229 HydrophobicContact CH2-CB 3.98Å; W160-A229 WeakPolarHBondContact CH2-O 3.12Å; W160-A229 HydrophobicContact CZ3-CB 3.51Å; A229-F238 PolarHBondContact N-O 3.45Å; A229-L276 WeakPolarHBondContact O-CD2 3.22Å; A229-F290 HydrophobicContact CB-CD1 4.41Å; A229-F290 HydrophobicContact CB-CD2 4.22Å; A229-F290 HydrophobicContact CB-CE1 4Å; A229-F290 HydrophobicContact CB-CE2 3.77Å; A229-F290 HydrophobicContact CB-CZ 3.66Å
230A63.9Low72.9Confident14 Ų1472 Ų7212%0.11637%0.372CS..SBendtrans-126.7136.8175.700000110.7W160 L228 S233W160-A230 HydrophobicContact CH2-CB 3.75Å; W160-A230 HydrophobicContact CZ2-CB 3.7Å; W160-A230 HydrophobicContact CZ3-CB 4.44Å; L228-A230 VanDerWaalsContact CB-O 3.26Å; L228-A230 WeakPolarHBondContact CB-O 3.46Å; L228-A230 PolarHBondContact O-N 2.92Å; A230-S233 PolarHBondContact O-OG 3.35Å
231Q58.4Low72.8Confident145 Ų14566 Ų6668%0.67834%0.342SS*.THydrogen-bonded Turntrans-69.5137.7168.1-73.2179.6-30.700109.2S233Q231-S233 PolarHBondContact O-N 3.17Å
232G54.4Low72.8Confident73 Ų7363.8 Ų63.875%0.75333%0.331SS*.THydrogen-bonded Turntrans88.3-11.617800000116N234G232-N234 PolarHBondContact O-N 2.93Å
233S53.3Low73.2Confident7 Ų762.3 Ų62.35%0.04932%0.322CS..  trans-85.4108178.668.80000111.8L228 A230 Q231 A235 F238L228-S233 WeakPolarHBondContact CD1-O 3.33Å; A230-S233 PolarHBondContact O-OG 3.35Å; Q231-S233 PolarHBondContact O-N 3.17Å; S233-A235 PolarHBondContact O-N 2.87Å; S233-A235 VanDerWaalsContact O-N 3.09Å; S233-F238 VanDerWaalsContact OG-CD2 3.24Å; S233-F238 WeakPolarHBondContact OG-CD2 3.2Å
234N51.5Low73.7Confident161 Ų16152 Ų5286%0.86129%0.287SS*.  trans-72.56.3173.6-84-18.8000114.4G232 P236G232-N234 PolarHBondContact O-N 2.93Å; N234-P236 WeakPolarHBondContact O-CD 3.48Å
235A57Low74.1Confident25 Ų2545.8 Ų45.821%0.20725%0.254CS..  trans-82.4124.7-168.300000112S233 Q237 F238S233-A235 PolarHBondContact O-N 2.87Å; S233-A235 VanDerWaalsContact O-N 3.09Å; A235-Q237 HydrophobicContact CB-CG 4.13Å; A235-Q237 PolarHBondContact O-N 3.08Å; A235-F238 HydrophobicContact CB-CD2 3.39Å; A235-F238 HydrophobicContact CB-CE2 3.32Å; A235-F238 VanDerWaalsContact O-CD2 3.27Å; A235-F238 WeakPolarHBondContact O-CD2 3Å; A235-F238 PolarHBondContact O-N 3.14Å; A235-F238 VanDerWaalsContact O-N 3.09Å
236P59.1Low74.1Confident81 Ų8152 Ų5253%0.52628%0.281SS..G310 helixtrans-53.7-28.5-176.2-26.132.7000114.5N234 F238 R239N234-P236 WeakPolarHBondContact O-CD 3.48Å; P236-F238 PolarHBondContact O-N 3.38Å; P236-R239 WeakPolarHBondContact O-CB 3.44Å; P236-R239 WeakPolarHBondContact O-CG 3.4Å; P236-R239 PolarHBondContact O-N 3.16Å
237Q59.6Low74.1Confident50 Ų5050.1 Ų50.123%0.23428%0.276CS..G310 helixtrans-63.8-23.6-179.362.2-97.238.400114.6P159 A235 R239 K292P159-Q237 HydrophobicContact CB-CB 4.47Å; P159-Q237 HydrophobicContact CB-CG 3.85Å; P159-Q237 HydrophobicContact CG-CB 3.85Å; P159-Q237 HydrophobicContact CG-CG 3.78Å; A235-Q237 HydrophobicContact CB-CG 4.13Å; A235-Q237 PolarHBondContact O-N 3.08Å; Q237-R239 PolarHBondContact O-N 3.44Å; Q237-K292 PolarHBondContact O-NZ 3.28Å
238F61.5Low74.3Confident7 Ų753.7 Ų53.73%0.03129%0.288CS..G310 helixtrans-79.6-5.7-179.3-66.4-69.8000113.6P159 W160 L228 A229 S233 A235 P236 G240P159-F238 WeakPolarHBondContact O-CE1 3.1Å; P159-F238 WeakPolarHBondContact O-CZ 3.19Å; W160-F238 VanDerWaalsContact CA-CE1 3.49Å; W160-F238 VanDerWaalsContact CA-CZ 3.44Å; W160-F238 HydrophobicContact CB-CE1 4.25Å; W160-F238 AromaticContact CD2-CE1 3.83Å; W160-F238 HydrophobicContact CD2-CE1 3.83Å; W160-F238 AromaticContact CE3-CD1 3.97Å; W160-F238 HydrophobicContact CE3-CD1 3.97Å; W160-F238 AromaticContact CE3-CE1 3.49Å; W160-F238 HydrophobicContact CE3-CE1 3.49Å; W160-F238 VanDerWaalsContact CE3-CE1 3.49Å; W160-F238 HydrophobicContact CG-CE1 4.18Å; W160-F238 HydrophobicContact CZ3-CD1 4.23Å; W160-F238 HydrophobicContact CZ3-CE1 4.14Å; L228-F238 WeakPolarHBondContact CA-O 3.49Å; L228-F238 HydrophobicContact CB-CB 4.34Å; L228-F238 HydrophobicContact CD2-CB 3.7Å; A229-F238 PolarHBondContact N-O 3.45Å; S233-F238 VanDerWaalsContact OG-CD2 3.24Å; S233-F238 WeakPolarHBondContact OG-CD2 3.2Å; A235-F238 HydrophobicContact CB-CD2 3.39Å; A235-F238 HydrophobicContact CB-CE2 3.32Å; A235-F238 VanDerWaalsContact O-CD2 3.27Å; A235-F238 WeakPolarHBondContact O-CD2 3Å; A235-F238 PolarHBondContact O-N 3.14Å; A235-F238 VanDerWaalsContact O-N 3.09Å; P236-F238 PolarHBondContact O-N 3.38Å; F238-G240 PolarHBondContact O-N 2.74Å
239R79.3Confident74.9Confident130 Ų13060.8 Ų60.849%0.49132%0.317SS..EExtended strand (participates in β ladder)trans-68.7120.7-177.7-67.5178.3178.8-171.1-1.1110C227 L228 P236 Q237 K292C227-R239 WeakPolarHBondContact O-CA 3.49Å; L228-R239 HydrophobicContact CD2-CG 3.98Å; P236-R239 WeakPolarHBondContact O-CB 3.44Å; P236-R239 WeakPolarHBondContact O-CG 3.4Å; P236-R239 PolarHBondContact O-N 3.16Å; Q237-R239 PolarHBondContact O-N 3.44Å; R239-K292 PolarHBondContact O-NZ 2.86Å
240G89Confident76Confident2 Ų262.6 Ų62.62%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-125.4-167.7166.600000110.3R226 C227 F238 Y291R226-G240 WeakPolarHBondContact CA-O 3.32Å; C227-G240 PolarHBondContact N-O 2.94Å; C227-G240 VanDerWaalsContact N-O 3.16Å; C227-G240 PolarHBondContact O-N 3.37Å; F238-G240 PolarHBondContact O-N 2.74Å; G240-Y291 CarbonylContact C-O 3.49Å; G240-Y291 VanDerWaalsContact CA-O 3.28Å; G240-Y291 WeakPolarHBondContact CA-O 3Å
241I92.7Very high77.5Confident2 Ų263 Ų631%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-109.1133.5169.5-59.8164.5000107.3V195 I221 A225 M258 Y291 P293V195-I241 HydrophobicContact CG1-CD1 4.42Å; V195-I241 HydrophobicContact CG1-CG1 4.31Å; I221-I241 HydrophobicContact CD1-CG2 4.29Å; I221-I241 HydrophobicContact CG2-CG2 4.39Å; A225-I241 CarbonylContact O-C 3.56Å; A225-I241 VanDerWaalsContact O-CA 3.26Å; A225-I241 WeakPolarHBondContact O-CA 3.35Å; I241-M258 HydrophobicContact CB-CE 4.05Å; I241-M258 HydrophobicContact CD1-CE 3.84Å; I241-M258 HydrophobicContact CG2-CE 3.73Å; I241-M258 HydrophobicContact CG2-SD 4.35Å; I241-Y291 PolarHBondContact N-O 3.28Å; I241-Y291 WeakPolarHBondContact O-CB 2.97Å; I241-Y291 PolarHBondContact O-N 3.07Å; I241-P293 HydrophobicContact CD1-CG 4.09Å; I241-P293 HydrophobicContact CG1-CG 4.13Å
242C92.4Very high79.4Confident0 Ų056.5 Ų56.50%029%0.292CS..EExtended strand (participates in β ladder)trans-105.4140173.4-81.70000111.2T222 A225 C227 L288 G289T222-C242 PolarHBondContact N-O 2.72Å; T222-C242 PolarHBondContact OG1-O 2.96Å; A225-C242 PolarHBondContact O-N 2.89Å; C227-C242 HydrophobicContact CB-CB 3.64Å; C227-C242 WeakPolarHBondContact CB-SG 3.29Å; C227-C242 VanDerWaalsContact SG-CA 3.59Å; C227-C242 WeakPolarHBondContact SG-CB 3.23Å; C227-C242 PolarHBondContact SG-N 2.89Å; C227-C242 VanDerWaalsContact SG-N 3.37Å; C227-C242 CovalentContact SG-SG 2.01Å; C227-C242 PolarHBondContact SG-SG 2.96Å; C242-L288 HydrophobicContact CB-CB 4.37Å; C242-L288 HydrophobicContact CB-CD1 3.96Å; C242-G289 VanDerWaalsContact CA-O 3.28Å; C242-G289 WeakPolarHBondContact CA-O 3.41Å
243A94.6Very high81.4Confident0 Ų053 Ų530%026%0.256CS..EExtended strand (participates in β ladder)trans-126145.6170.200000109.6V219 M220 I221 E245 L288 G289 Y291V219-A243 HydrophobicContact CB-CB 3.85Å; V219-A243 HydrophobicContact CG2-CB 4Å; M220-A243 CarbonylContact O-C 3.49Å; M220-A243 VanDerWaalsContact O-CA 3.26Å; M220-A243 WeakPolarHBondContact O-CA 3.48Å; I221-A243 HydrophobicContact CD1-CB 4Å; A243-E245 PolarHBondContact O-N 2.87Å; A243-L288 CarbonylContact O-C 3.53Å; A243-L288 VanDerWaalsContact O-CA 3.27Å; A243-L288 WeakPolarHBondContact O-CA 3.44Å; A243-G289 PolarHBondContact N-O 3.46Å; A243-G289 VanDerWaalsContact N-O 3.15Å; A243-G289 PolarHBondContact O-N 2.79Å; A243-Y291 HydrophobicContact CB-CD2 4.49Å; A243-Y291 HydrophobicContact CB-CE2 3.94Å
244V92.7Very high83.5Confident41 Ų4154.1 Ų54.125%0.24826%0.261CS..EExtended strand (participates in β ladder)trans-72.9115.5172.8-174.70000107.8M220 T222 L288M220-V244 HydrophobicContact CB-CB 4.41Å; M220-V244 HydrophobicContact CE-CG1 4.5Å; M220-V244 PolarHBondContact O-N 3.43Å; T222-V244 HydrophobicContact CG2-CG2 3.85Å; V244-L288 HydrophobicContact CB-CD2 4.36Å; V244-L288 HydrophobicContact CG2-CD2 3.9Å
245E91Very high85.7Confident7 Ų746.4 Ų46.43%0.03322%0.22CC..  trans-156.8148.8179.657.3157126.400112V219 A243 Q253 Y272 Q275 K287 G289 Y291V219-E245 HydrophobicContact CG1-CB 4.15Å; A243-E245 PolarHBondContact O-N 2.87Å; E245-Q253 VanDerWaalsContact CD-NE2 3.32Å; E245-Q253 PolarHBondContact OE1-NE2 2.7Å; E245-Q253 VanDerWaalsContact OE1-NE2 3.16Å; E245-Q253 PolarHBondContact OE2-NE2 3.42Å; E245-Q253 PolarHBondContact OE2-OE1 3.32Å; E245-Y272 VanDerWaalsContact OE1-CE2 3.29Å; E245-Y272 WeakPolarHBondContact OE1-CE2 3.46Å; E245-Q275 PolarHBondContact O-NE2 3.09Å; E245-K287 PolarHBondContact N-O 3.5Å; E245-K287 CarbonylContact O-C 3.54Å; E245-K287 WeakPolarHBondContact O-CB 3.33Å; E245-G289 VanDerWaalsContact CG-N 3.29Å; E245-G289 WeakPolarHBondContact OE1-CA 3.26Å; E245-Y291 WeakPolarHBondContact OE1-CE2 3.34Å; E245-Y291 VanDerWaalsContact OE1-CZ 3.23Å; E245-Y291 PolarHBondContact OE1-OH 3Å
246Q85.9Confident87.6Confident144 Ų14445.2 Ų45.267%0.67321%0.21SC*.  trans-117.879.5177.6-65.8-164.345.700110.9K248Q246-K248 PolarHBondContact O-N 3.42Å
247K86.6Confident89.5Confident69 Ų6941.4 Ų41.430%0.319%0.185SC..  trans-52.6123.2174.1-179.8-175.9168.9-163.50112.4Y251 Q253K247-Y251 WeakPolarHBondContact CE-O 3.19Å; K247-Q253 HydrophobicContact CD-CB 4.34Å
248K90.4Very high91.3Very high99 Ų9939 Ų3943%0.4317%0.174SC..  trans-74.3151.1172.4-54.4-174-165.5163.70111.7Q246 H250 Y251Q246-K248 PolarHBondContact O-N 3.42Å; K248-H250 VanDerWaalsContact C-N 3.33Å; K248-H250 PolarHBondContact O-N 2.93Å; K248-Y251 HydrophobicContact CB-CD1 4.25Å; K248-Y251 HydrophobicContact CB-CD2 3.74Å; K248-Y251 HydrophobicContact CB-CE1 4.43Å; K248-Y251 HydrophobicContact CB-CE2 3.95Å; K248-Y251 HydrophobicContact CB-CG 3.92Å; K248-Y251 HydrophobicContact CD-CD2 4.31Å; K248-Y251 HydrophobicContact CD-CE1 4.09Å; K248-Y251 HydrophobicContact CD-CE2 3.62Å; K248-Y251 WeakPolarHBondContact CE-OH 3.48Å; K248-Y251 HydrophobicContact CG-CD2 3.97Å; K248-Y251 HydrophobicContact CG-CE2 3.7Å; K248-Y251 PolarHBondContact NZ-OH 2.54Å; K248-Y251 WeakPolarHBondContact O-CB 3.34Å; K248-Y251 PolarHBondContact O-N 2.87Å; K248-Y251 VanDerWaalsContact O-N 3.15Å
249K89.7Confident93Very high208 Ų20838.7 Ų38.790%0.90417%0.173SC*.THydrogen-bonded Turntrans-61.8-36.4-176.3-172.9177.9-179.6179.70113.5Y251K249-Y251 VanDerWaalsContact C-N 3.29Å; K249-Y251 PolarHBondContact O-N 3.06Å
250H93.1Very high93.9Very high50 Ų5032.5 Ų32.523%0.23115%0.15CC..THydrogen-bonded Turntrans-80.8-8.2-179.153.7-89.9000113.5D208 R209 H210 K248D208-H250 IonicContact OD1-CD2 2.69Å; D208-H250 PolarHBondContact OD1-CD2 2.93Å; D208-H250 IonicContact OD2-CD2 3.45Å; D208-H250 IonicContact OD2-NE2 3.71Å; R209-H250 WeakPolarHBondContact CB-O 3.12Å; R209-H250 WeakPolarHBondContact CD-O 3.47Å; R209-H250 WeakPolarHBondContact CG-O 3.17Å; R209-H250 PolarHBondContact N-O 3.18Å; H210-H250 WeakPolarHBondContact CD2-CB 3.36Å; H210-H250 AromaticContact CD2-CD2 3.57Å; H210-H250 AromaticContact CD2-CG 3.31Å; H210-H250 AromaticContact CD2-ND1 3.78Å; H210-H250 WeakPolarHBondContact NE2-CB 3.31Å; H210-H250 AromaticContact NE2-CG 3.55Å; H210-H250 AromaticContact NE2-ND1 3.86Å; K248-H250 VanDerWaalsContact C-N 3.33Å; K248-H250 PolarHBondContact O-N 2.93Å
251Y96.2Very high94.3Very high22 Ų2233.5 Ų33.59%0.08615%0.154CC..EExtended strand (participates in β ladder)trans-82.2137.4179.5-68.1-7.4000112.7H206 Y207 D208 K247 K248 K249H206-Y251 HydrophobicContact CB-CD2 4.27Å; H206-Y251 HydrophobicContact CB-CG 4.32Å; H206-Y251 AromaticContact CD2-CD2 3.19Å; H206-Y251 WeakPolarHBondContact CD2-CD2 3.39Å; H206-Y251 AromaticContact CD2-CE2 3.1Å; H206-Y251 WeakPolarHBondContact CD2-CE2 3.5Å; H206-Y251 AromaticContact CD2-CG 3.91Å; H206-Y251 AromaticContact CD2-CZ 3.74Å; H206-Y251 AromaticContact CE1-CE2 3.87Å; H206-Y251 AromaticContact CE1-CZ 3.69Å; H206-Y251 AromaticContact CG-CD2 3.8Å; H206-Y251 AromaticContact NE2-CD2 3.62Å; H206-Y251 AromaticContact NE2-CE1 3.98Å; H206-Y251 AromaticContact NE2-CE2 3Å; H206-Y251 WeakPolarHBondContact NE2-CE2 3.43Å; H206-Y251 AromaticContact NE2-CZ 3.19Å; H206-Y251 PolarHBondContact NE2-OH 3.43Å; Y207-Y251 WeakPolarHBondContact O-CA 3.23Å; D208-Y251 HydrophobicContact CB-CD1 4.28Å; D208-Y251 HydrophobicContact CB-CE1 4.06Å; D208-Y251 WeakPolarHBondContact OD2-CE1 3.3Å; K247-Y251 WeakPolarHBondContact CE-O 3.19Å; K248-Y251 HydrophobicContact CB-CD1 4.25Å; K248-Y251 HydrophobicContact CB-CD2 3.74Å; K248-Y251 HydrophobicContact CB-CE1 4.43Å; K248-Y251 HydrophobicContact CB-CE2 3.95Å; K248-Y251 HydrophobicContact CB-CG 3.92Å; K248-Y251 HydrophobicContact CD-CD2 4.31Å; K248-Y251 HydrophobicContact CD-CE1 4.09Å; K248-Y251 HydrophobicContact CD-CE2 3.62Å; K248-Y251 WeakPolarHBondContact CE-OH 3.48Å; K248-Y251 HydrophobicContact CG-CD2 3.97Å; K248-Y251 HydrophobicContact CG-CE2 3.7Å; K248-Y251 PolarHBondContact NZ-OH 2.54Å; K248-Y251 WeakPolarHBondContact O-CB 3.34Å; K248-Y251 PolarHBondContact O-N 2.87Å; K248-Y251 VanDerWaalsContact O-N 3.15Å; K249-Y251 VanDerWaalsContact C-N 3.29Å; K249-Y251 PolarHBondContact O-N 3.06Å
252I96.9Very high94.5Very high8 Ų834.2 Ų34.24%0.04116%0.158CC..EExtended strand (participates in β ladder)trans-102.6116.1167.2-53.3176.5000108.2T92 K93 H206 Y207 R209T92-I252 HydrophobicContact CG2-CD1 3.58Å; T92-I252 HydrophobicContact CG2-CG2 4.45Å; K93-I252 VanDerWaalsContact O-CG2 3.29Å; K93-I252 WeakPolarHBondContact O-CG2 3.45Å; H206-I252 CarbonylContact C-O 3.57Å; H206-I252 WeakPolarHBondContact CA-O 3.36Å; Y207-I252 HydrophobicContact CD1-CB 4.39Å; Y207-I252 HydrophobicContact CD1-CD1 3.56Å; Y207-I252 HydrophobicContact CD1-CG1 4.08Å; Y207-I252 HydrophobicContact CE1-CD1 4.11Å; Y207-I252 PolarHBondContact N-O 3.35Å; Y207-I252 PolarHBondContact O-N 3.08Å; R209-I252 HydrophobicContact CG-CD1 4.1Å; R209-I252 HydrophobicContact CG-CG1 4.12Å; R209-I252 VanDerWaalsContact CZ-CG1 3.47Å; R209-I252 VanDerWaalsContact NH2-CG1 3.33Å
253Q96.7Very high94.5Very high0 Ų042 Ų420%020%0.195CC..  trans-131.3-3.9-176.3-167179.4-20.500112.6V204 E245 K247 G255 S256 Y272 Y291V204-Q253 HydrophobicContact CG2-CG 3.84Å; E245-Q253 VanDerWaalsContact CD-NE2 3.32Å; E245-Q253 PolarHBondContact OE1-NE2 2.7Å; E245-Q253 VanDerWaalsContact OE1-NE2 3.16Å; E245-Q253 PolarHBondContact OE2-NE2 3.42Å; E245-Q253 PolarHBondContact OE2-OE1 3.32Å; K247-Q253 HydrophobicContact CD-CB 4.34Å; Q253-G255 PolarHBondContact O-N 3.43Å; Q253-S256 VanDerWaalsContact C-OG 3.31Å; Q253-S256 VanDerWaalsContact CA-OG 3.29Å; Q253-S256 WeakPolarHBondContact CA-OG 3.34Å; Q253-S256 WeakPolarHBondContact O-CB 3.18Å; Q253-S256 PolarHBondContact O-N 3.41Å; Q253-S256 PolarHBondContact O-OG 2.78Å; Q253-Y272 HydrophobicContact CB-CD1 4.21Å; Q253-Y272 HydrophobicContact CB-CE1 4.22Å; Q253-Y272 HydrophobicContact CG-CD1 3.99Å; Q253-Y272 HydrophobicContact CG-CD2 4.23Å; Q253-Y272 HydrophobicContact CG-CE1 4.26Å; Q253-Y272 HydrophobicContact CG-CE2 4.46Å; Q253-Y272 HydrophobicContact CG-CG 3.96Å; Q253-Y272 VanDerWaalsContact NE2-CD2 3.35Å; Q253-Y272 WeakPolarHBondContact O-CD1 3.3Å; Q253-Y291 PolarHBondContact NE2-OH 3.49Å
254L97.3Very high94.5Very high30 Ų3044.7 Ų44.716%0.15722%0.222CC..THydrogen-bonded Turntrans-58.6125.6176.8179.564.1000109.4C94 I95 A117 E119 S256 L273C94-L254 VanDerWaalsContact CA-O 3.28Å; C94-L254 WeakPolarHBondContact CA-O 3.37Å; C94-L254 VanDerWaalsContact CB-O 3.23Å; C94-L254 WeakPolarHBondContact CB-O 3.28Å; I95-L254 PolarHBondContact N-O 3.48Å; A117-L254 HydrophobicContact CB-CD1 3.46Å; A117-L254 VanDerWaalsContact CB-CD1 3.46Å; A117-L254 HydrophobicContact CB-CG 3.76Å; E119-L254 HydrophobicContact CB-CD1 4.47Å; E119-L254 HydrophobicContact CB-CD2 4.07Å; E119-L254 HydrophobicContact CG-CD2 4.31Å; L254-S256 VanDerWaalsContact C-N 3.29Å; L254-L273 VanDerWaalsContact CD1-O 3.3Å; L254-L273 WeakPolarHBondContact CD1-O 3.36Å
255G97.7Very high94.7Very high0 Ų045 Ų450%022%0.218CC..THydrogen-bonded Turntrans82.20.3-178.200000115.2I95 Q253 Y272I95-G255 CarbonylContact O-C 3.53Å; I95-G255 VanDerWaalsContact O-C 3.24Å; I95-G255 WeakPolarHBondContact O-CA 3.25Å; I95-G255 VanDerWaalsContact O-O 3.12Å; Q253-G255 PolarHBondContact O-N 3.43Å; G255-Y272 PolarHBondContact N-O 2.93Å
256S97.9Very high95.1Very high0 Ų044.6 Ų44.60%022%0.217CC..  trans-62.3141.2-179.9-66.60000112.6I95 T205 Q253 L254 V271 Y272I95-S256 VanDerWaalsContact CB-OG 3.27Å; I95-S256 WeakPolarHBondContact CB-OG 3.44Å; I95-S256 WeakPolarHBondContact CG1-OG 3.28Å; T205-S256 WeakPolarHBondContact O-CB 3.33Å; T205-S256 PolarHBondContact O-OG 3.33Å; Q253-S256 VanDerWaalsContact C-OG 3.31Å; Q253-S256 VanDerWaalsContact CA-OG 3.29Å; Q253-S256 WeakPolarHBondContact CA-OG 3.34Å; Q253-S256 WeakPolarHBondContact O-CB 3.18Å; Q253-S256 PolarHBondContact O-N 3.41Å; Q253-S256 PolarHBondContact O-OG 2.78Å; L254-S256 VanDerWaalsContact C-N 3.29Å; S256-V271 WeakPolarHBondContact O-CA 3.37Å; S256-Y272 PolarHBondContact O-N 2.88Å
257P97.9Very high95.6Very high0 Ų039.5 Ų39.50%019%0.191CC..EExtended strand (participates in β ladder)trans-73.2138.1172.934.2-37.3000110.3V259 Q268P257-V259 HydrophobicContact CB-CG2 3.79Å; P257-V259 HydrophobicContact CG-CG2 4.07Å; P257-Q268 HydrophobicContact CB-CG 3.97Å
258M97.4Very high96.1Very high0 Ų036.3 Ų36.30%018%0.178CC..EExtended strand (participates in β ladder)trans-88.5110.2156.9-178.7176.274.300107.7P196 Y203 V219 I221 I241 Q268 Y269 G270 Y291P196-M258 HydrophobicContact CG-CE 3.98Å; Y203-M258 WeakPolarHBondContact O-CA 3.45Å; V219-M258 HydrophobicContact CG2-CG 4.44Å; I221-M258 HydrophobicContact CD1-CE 4.29Å; I221-M258 HydrophobicContact CD1-SD 3.62Å; I241-M258 HydrophobicContact CB-CE 4.05Å; I241-M258 HydrophobicContact CD1-CE 3.84Å; I241-M258 HydrophobicContact CG2-CE 3.73Å; I241-M258 HydrophobicContact CG2-SD 4.35Å; M258-Q268 WeakPolarHBondContact O-CA 3.34Å; M258-Y269 HydrophobicContact CE-CG 4.47Å; M258-Y269 PolarHBondContact O-N 2.67Å; M258-G270 PolarHBondContact N-O 2.75Å; M258-Y291 HydrophobicContact CB-CD1 3.48Å; M258-Y291 VanDerWaalsContact CB-CD1 3.48Å; M258-Y291 HydrophobicContact CB-CE1 3.6Å; M258-Y291 HydrophobicContact CB-CG 4.11Å; M258-Y291 HydrophobicContact CG-CD1 4.39Å; M258-Y291 HydrophobicContact CG-CE1 4.35Å; M258-Y291 HydrophobicContact SD-CD1 4.29Å; M258-Y291 HydrophobicContact SD-CD2 4.03Å; M258-Y291 HydrophobicContact SD-CE2 4.32Å; M258-Y291 HydrophobicContact SD-CG 4.01Å
259V97.9Very high96.4Very high1 Ų132.7 Ų32.71%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-110.1128.1-178-179.70000109.3W80 V187 C202 Y203 P257 A266 Y267W80-V259 HydrophobicContact CZ2-CG1 3.78Å; W80-V259 HydrophobicContact CZ2-CG2 4.48Å; V187-V259 HydrophobicContact CG2-CG1 4.13Å; V187-V259 HydrophobicContact CG2-CG2 4.27Å; C202-V259 CarbonylContact C-O 3.51Å; C202-V259 WeakPolarHBondContact CA-O 3.5Å; Y203-V259 PolarHBondContact N-O 2.84Å; Y203-V259 PolarHBondContact O-N 2.87Å; P257-V259 HydrophobicContact CB-CG2 3.79Å; P257-V259 HydrophobicContact CG-CG2 4.07Å; V259-A266 HydrophobicContact CG1-CB 3.67Å; V259-Y267 CarbonylContact C-O 3.58Å; V259-Y267 VanDerWaalsContact CA-O 3.31Å; V259-Y267 WeakPolarHBondContact CA-O 3.49Å
260C97.7Very high96.6Very high0 Ų022.8 Ų22.80%012%0.118CC..EExtended strand (participates in β ladder)trans-117.1137.8176.1-50.50000110.1P196 A200 S201 C202 Y267 Y269P196-C260 HydrophobicContact CB-CB 4.32Å; P196-C260 WeakPolarHBondContact CG-SG 3.48Å; A200-C260 HydrophobicContact CB-CB 4.14Å; S201-C260 WeakPolarHBondContact O-CA 3.31Å; C202-C260 HydrophobicContact CB-CB 4.1Å; C202-C260 WeakPolarHBondContact CB-SG 3.34Å; C202-C260 WeakPolarHBondContact SG-CB 3.21Å; C202-C260 CovalentContact SG-SG 2.04Å; C202-C260 PolarHBondContact SG-SG 2.52Å; C260-Y267 PolarHBondContact N-O 3.15Å; C260-Y267 PolarHBondContact O-N 2.84Å; C260-Y269 HydrophobicContact CB-CD2 3.8Å; C260-Y269 HydrophobicContact CB-CE2 3.76Å
261I97.4Very high96.7Very high23 Ų2320.4 Ų20.412%0.11811%0.107CC..EExtended strand (participates in β ladder)trans-88.9116.4176.6-56.3174.3000107.9L65 S201 Y203 R265L65-I261 HydrophobicContact CB-CD1 3.83Å; L65-I261 HydrophobicContact CB-CG1 4.41Å; L65-I261 HydrophobicContact CD1-CG1 4.24Å; L65-I261 HydrophobicContact CD1-CG2 3.94Å; S201-I261 PolarHBondContact O-N 2.04Å; Y203-I261 HydrophobicContact CD2-CD1 4.47Å; Y203-I261 HydrophobicContact CE2-CD1 3.88Å; Y203-I261 HydrophobicContact CE2-CG1 4.37Å; I261-R265 WeakPolarHBondContact CA-O 3.5Å
262V96.7Very high96.7Very high16 Ų1619.6 Ų19.610%0.09710%0.104CC..EExtended strand (participates in β ladder)trans-123.6117.5-179.6-175.70000107.6P197 Y199 A200 G264 R265 Y267 Y269P197-V262 HydrophobicContact CG-CG1 4.32Å; P197-V262 HydrophobicContact CG-CG2 4.12Å; Y199-V262 HydrophobicContact CE2-CG1 4.14Å; A200-V262 HydrophobicContact CB-CG2 3.99Å; V262-G264 PolarHBondContact O-N 2.83Å; V262-G264 VanDerWaalsContact O-N 3.15Å; V262-R265 PolarHBondContact N-O 2.95Å; V262-R265 PolarHBondContact O-N 2.82Å; V262-Y267 HydrophobicContact CB-CD2 3.97Å; V262-Y267 HydrophobicContact CB-CE2 3.97Å; V262-Y267 HydrophobicContact CG2-CD2 4.1Å; V262-Y269 HydrophobicContact CG2-CE2 4.44Å
263H94Very high96.6Very high165 Ų16519.9 Ų19.976%0.76411%0.106SC*.THydrogen-bonded Turntrans47.543.5-178.7-54.3138.7000113.9Y199 R265Y199-H263 AromaticContact CE2-NE2 3.95Å; Y199-H263 AromaticContact CZ-NE2 3.77Å; Y199-H263 PolarHBondContact OH-CE1 3.15Å; Y199-H263 VanDerWaalsContact OH-CE1 3.24Å; Y199-H263 PolarHBondContact OH-NE2 2.53Å; H263-R265 VanDerWaalsContact C-N 3.32Å; H263-R265 PolarHBondContact O-N 2.86Å
264G93.7Very high96.3Very high55 Ų5521.8 Ų21.857%0.56712%0.116SC*.THydrogen-bonded Turntrans78.97.8178.500000115.6L65 V262L65-G264 VanDerWaalsContact CD1-O 3.23Å; L65-G264 WeakPolarHBondContact CD1-O 3.28Å; V262-G264 PolarHBondContact O-N 2.83Å; V262-G264 VanDerWaalsContact O-N 3.15Å
265R97Very high95.9Very high47 Ų4723.2 Ų23.218%0.17712%0.122CC..EExtended strand (participates in β ladder)trans-123.1143176.8-175.3165.9-70.8-151.6-7.3111.9E104 I261 V262 H263 Y267E104-R265 VanDerWaalsContact C-NH1 3.27Å; E104-R265 VanDerWaalsContact CB-NH1 3.33Å; E104-R265 PolarHBondContact O-NH1 2.82Å; I261-R265 WeakPolarHBondContact CA-O 3.5Å; V262-R265 PolarHBondContact N-O 2.95Å; V262-R265 PolarHBondContact O-N 2.82Å; H263-R265 VanDerWaalsContact C-N 3.32Å; H263-R265 PolarHBondContact O-N 2.86Å; R265-Y267 HydrophobicContact CB-CE2 3.77Å; R265-Y267 WeakPolarHBondContact CD-OH 3.14Å; R265-Y267 HydrophobicContact CG-CD2 4.48Å; R265-Y267 HydrophobicContact CG-CE2 3.74Å; R265-Y267 WeakPolarHBondContact O-CD2 3.08Å
266A98.2Very high95.4Very high0 Ų024.2 Ų24.20%013%0.127CC..EExtended strand (participates in β ladder)trans-94.8128-177.700000112.6G56 L65 W80 V187 C188 V259G56-A266 WeakPolarHBondContact CA-O 3.41Å; G56-A266 PolarHBondContact O-N 3.26Å; L65-A266 HydrophobicContact CD1-CB 3.96Å; L65-A266 HydrophobicContact CD2-CB 4.02Å; W80-A266 HydrophobicContact CH2-CB 3.29Å; W80-A266 HydrophobicContact CZ2-CB 3.79Å; W80-A266 HydrophobicContact CZ3-CB 3.99Å; V187-A266 HydrophobicContact CG2-CB 4.21Å; V187-A266 WeakPolarHBondContact CG2-O 3.46Å; C188-A266 WeakPolarHBondContact CB-O 3.08Å; C188-A266 PolarHBondContact N-O 2.87Å; V259-A266 HydrophobicContact CG1-CB 3.67Å
267Y97.4Very high94.8Very high36 Ų3627.9 Ų27.914%0.14115%0.153CC..EExtended strand (participates in β ladder)trans-124.1134.3178-61.8-93.9000111E104 C188 V259 C260 V262 R265 Y269E104-Y267 VanDerWaalsContact CD-OH 3.3Å; E104-Y267 WeakPolarHBondContact OE2-CE1 3.43Å; E104-Y267 VanDerWaalsContact OE2-CZ 3.26Å; E104-Y267 PolarHBondContact OE2-OH 3.2Å; C188-Y267 HydrophobicContact CB-CD1 3.58Å; C188-Y267 HydrophobicContact CB-CE1 3.83Å; C188-Y267 HydrophobicContact CB-CG 4.31Å; C188-Y267 CarbonylContact O-C 3.52Å; C188-Y267 WeakPolarHBondContact O-CA 3.21Å; V259-Y267 CarbonylContact C-O 3.58Å; V259-Y267 VanDerWaalsContact CA-O 3.31Å; V259-Y267 WeakPolarHBondContact CA-O 3.49Å; C260-Y267 PolarHBondContact N-O 3.15Å; C260-Y267 PolarHBondContact O-N 2.84Å; V262-Y267 HydrophobicContact CB-CD2 3.97Å; V262-Y267 HydrophobicContact CB-CE2 3.97Å; V262-Y267 HydrophobicContact CG2-CD2 4.1Å; R265-Y267 HydrophobicContact CB-CE2 3.77Å; R265-Y267 WeakPolarHBondContact CD-OH 3.14Å; R265-Y267 HydrophobicContact CG-CD2 4.48Å; R265-Y267 HydrophobicContact CG-CE2 3.74Å; R265-Y267 WeakPolarHBondContact O-CD2 3.08Å; Y267-Y269 WeakPolarHBondContact O-CD2 3.46Å
268Q97.4Very high93.9Very high3 Ų330.5 Ų30.51%0.01417%0.167CC..EExtended strand (participates in β ladder)trans-85.8115.5171.2-177.7175.5-2.900110.3S97 V99 V187 C188 A190 P257 M258 G270 I294S97-Q268 PolarHBondContact OG-NE2 2.91Å; S97-Q268 VanDerWaalsContact OG-NE2 3.15Å; S97-Q268 PolarHBondContact OG-OE1 3.32Å; V99-Q268 VanDerWaalsContact CG1-OE1 3.29Å; V187-Q268 HydrophobicContact CG1-CB 3.79Å; V187-Q268 HydrophobicContact CG2-CB 4.27Å; C188-Q268 PolarHBondContact O-N 3.38Å; A190-Q268 WeakPolarHBondContact CB-O 3.45Å; A190-Q268 PolarHBondContact N-O 3.26Å; P257-Q268 HydrophobicContact CB-CG 3.97Å; M258-Q268 WeakPolarHBondContact O-CA 3.34Å; Q268-G270 PolarHBondContact NE2-O 2.89Å; Q268-I294 HydrophobicContact CG-CD1 4Å
269Y95.4Very high92.9Very high22 Ų2237.2 Ų37.29%0.08620%0.196CC..EExtended strand (participates in β ladder)trans-94-21.6179.1-81.2-92.2000113.3A190 S194 V195 P196 M258 C260 V262 Y267 P293A190-Y269 HydrophobicContact CB-CD1 3.56Å; A190-Y269 HydrophobicContact CB-CD2 4.02Å; A190-Y269 HydrophobicContact CB-CE1 3.66Å; A190-Y269 HydrophobicContact CB-CE2 4.11Å; A190-Y269 HydrophobicContact CB-CG 3.76Å; S194-Y269 WeakPolarHBondContact OG-CE1 3.44Å; V195-Y269 WeakPolarHBondContact O-CE1 3.45Å; P196-Y269 HydrophobicContact CB-CD2 4.48Å; P196-Y269 HydrophobicContact CB-CE1 4.46Å; P196-Y269 HydrophobicContact CB-CE2 4.38Å; P196-Y269 HydrophobicContact CG-CD1 3.81Å; P196-Y269 HydrophobicContact CG-CD2 3.95Å; P196-Y269 HydrophobicContact CG-CE1 4.18Å; P196-Y269 HydrophobicContact CG-CE2 4.32Å; P196-Y269 HydrophobicContact CG-CG 3.67Å; P196-Y269 VanDerWaalsContact N-CE1 3.34Å; M258-Y269 HydrophobicContact CE-CG 4.47Å; M258-Y269 PolarHBondContact O-N 2.67Å; C260-Y269 HydrophobicContact CB-CD2 3.8Å; C260-Y269 HydrophobicContact CB-CE2 3.76Å; V262-Y269 HydrophobicContact CG2-CE2 4.44Å; Y267-Y269 WeakPolarHBondContact O-CD2 3.46Å; Y269-P293 WeakPolarHBondContact O-CA 3.43Å
270G94.9Very high91.8Very high0 Ų040.3 Ų40.30%021%0.212CC..EExtended strand (participates in β ladder)trans-168.7175.7178.500000114.8M258 Q268 K292M258-G270 PolarHBondContact N-O 2.75Å; Q268-G270 PolarHBondContact NE2-O 2.89Å; G270-K292 CarbonylContact C-O 3.54Å; G270-K292 WeakPolarHBondContact CA-O 3.28Å
271V96Very high90.8Very high0 Ų047.2 Ų47.20%025%0.248CC..EExtended strand (participates in β ladder)trans-117.4124.3175.6177.60000108.3L115 V169 S256 L273 Y291 K292 I294L115-V271 HydrophobicContact CB-CG2 4.37Å; V169-V271 HydrophobicContact CG1-CB 3.89Å; V169-V271 HydrophobicContact CG1-CG1 4.31Å; V169-V271 HydrophobicContact CG1-CG2 4.06Å; S256-V271 WeakPolarHBondContact O-CA 3.37Å; V271-L273 HydrophobicContact CG1-CD2 4.21Å; V271-L273 PolarHBondContact O-N 3.39Å; V271-Y291 CarbonylContact O-C 3.52Å; V271-Y291 WeakPolarHBondContact O-CA 3.4Å; V271-K292 PolarHBondContact N-O 3.46Å; V271-K292 PolarHBondContact O-N 2.01Å; V271-I294 HydrophobicContact CG2-CD1 3.88Å; V271-I294 HydrophobicContact CG2-CG1 4.02Å
272Y96Very high89.9Confident5 Ų552.6 Ų52.62%0.0228%0.278CS..EExtended strand (participates in β ladder)trans-64.5127.5176.4-178.4-87.8000110.8E245 Q253 G255 S256 Q275 Y291E245-Y272 VanDerWaalsContact OE1-CE2 3.29Å; E245-Y272 WeakPolarHBondContact OE1-CE2 3.46Å; Q253-Y272 HydrophobicContact CB-CD1 4.21Å; Q253-Y272 HydrophobicContact CB-CE1 4.22Å; Q253-Y272 HydrophobicContact CG-CD1 3.99Å; Q253-Y272 HydrophobicContact CG-CD2 4.23Å; Q253-Y272 HydrophobicContact CG-CE1 4.26Å; Q253-Y272 HydrophobicContact CG-CE2 4.46Å; Q253-Y272 HydrophobicContact CG-CG 3.96Å; Q253-Y272 VanDerWaalsContact NE2-CD2 3.35Å; Q253-Y272 WeakPolarHBondContact O-CD1 3.3Å; G255-Y272 PolarHBondContact N-O 2.93Å; S256-Y272 PolarHBondContact O-N 2.88Å; Y272-Q275 PolarHBondContact OH-N 3.41Å; Y272-Y291 HydrophobicContact CD2-CD1 4.43Å; Y272-Y291 AromaticContact CD2-CE1 3.84Å; Y272-Y291 HydrophobicContact CD2-CE1 3.84Å; Y272-Y291 HydrophobicContact CD2-CE2 4.15Å; Y272-Y291 AromaticContact CD2-CZ 3.68Å; Y272-Y291 HydrophobicContact CG-CE1 4.23Å
273L93.2Very high88.8Confident14 Ų1462.7 Ų62.77%0.07331%0.314CS..EExtended strand (participates in β ladder)trans-112.3-48.7177.6-58.5-174.5000112.2A117 L158 G168 L254 V271 F290 K292A117-L273 HydrophobicContact CB-CD2 3.75Å; L158-L273 HydrophobicContact CD1-CD1 3.69Å; G168-L273 VanDerWaalsContact O-CD2 3.28Å; G168-L273 WeakPolarHBondContact O-CD2 3.26Å; L254-L273 VanDerWaalsContact CD1-O 3.3Å; L254-L273 WeakPolarHBondContact CD1-O 3.36Å; V271-L273 HydrophobicContact CG1-CD2 4.21Å; V271-L273 PolarHBondContact O-N 3.39Å; L273-F290 HydrophobicContact CB-CD1 4.31Å; L273-F290 HydrophobicContact CD1-CD1 4.4Å; L273-F290 HydrophobicContact CD1-CE1 4.2Å; L273-F290 PolarHBondContact N-O 2.96Å; L273-K292 HydrophobicContact CD1-CB 3.72Å; L273-K292 HydrophobicContact CG-CB 4.23Å
274N90.7Very high88.2Confident41 Ų4158.9 Ų58.922%0.21930%0.302CS..EExtended strand (participates in β ladder)trans-159.1168.1-175.162.9-50.3000112.2L276 F290N274-L276 WeakPolarHBondContact ND2-CD2 3.37Å; N274-F290 WeakPolarHBondContact O-CB 3.48Å; N274-F290 PolarHBondContact O-N 3.27Å
275Q90.6Very high87.7Confident59 Ų5961.5 Ų61.528%0.27630%0.303SS..EExtended strand (participates in β ladder)trans-95.9133.8171.3-169.816958.300109.6E245 Y272 K287 L288E245-Q275 PolarHBondContact O-NE2 3.09Å; Y272-Q275 PolarHBondContact OH-N 3.41Å; Q275-K287 HydrophobicContact CG-CB 4.19Å; Q275-L288 CarbonylContact C-O 3.5Å; Q275-L288 VanDerWaalsContact CA-O 3.31Å; Q275-L288 WeakPolarHBondContact CA-O 3.27Å; Q275-L288 WeakPolarHBondContact CG-O 3.41Å
276L86.8Confident87.3Confident21 Ų2162.1 Ų62.111%0.1131%0.308CS..EExtended strand (participates in β ladder)trans-99.7149.3171.1-52.8179.5000109.3A229 N274 K287 L288 F290A229-L276 WeakPolarHBondContact O-CD2 3.22Å; N274-L276 WeakPolarHBondContact ND2-CD2 3.37Å; L276-K287 WeakPolarHBondContact O-CA 3.4Å; L276-L288 HydrophobicContact CB-CB 4.41Å; L276-L288 PolarHBondContact N-O 2.91Å; L276-L288 PolarHBondContact O-N 3.32Å; L276-F290 HydrophobicContact CD1-CB 4.01Å; L276-F290 HydrophobicContact CD1-CD2 3.95Å; L276-F290 HydrophobicContact CD1-CG 4.35Å; L276-F290 HydrophobicContact CD2-CB 4.41Å; L276-F290 HydrophobicContact CG-CB 3.97Å
277S83.7Confident86.9Confident78 Ų7866.3 Ų66.355%0.54533%0.326SS..EExtended strand (participates in β ladder)trans-113.6115.1169.7-62.40000108.5
278L79.7Confident86.7Confident55 Ų5564.9 Ų64.929%0.28832%0.321SS..EExtended strand (participates in β ladder)trans-98.6128.4172.8-65.9-171.3000109.8N285 Q286 L288L278-N285 CarbonylContact O-C 3.6Å; L278-N285 WeakPolarHBondContact O-CA 2.96Å; L278-Q286 PolarHBondContact N-O 2.86Å; L278-Q286 PolarHBondContact O-N 3.27Å; L278-L288 HydrophobicContact CD1-CD1 3.23Å; L278-L288 HydrophobicContact CD1-CG 4.17Å; L278-L288 HydrophobicContact CG-CD1 3.73Å; L278-L288 HydrophobicContact CG-CG 4.33Å
279K77.6Confident86.5Confident140 Ų14064.7 Ų64.761%0.60932%0.32SS*.EExtended strand (participates in β ladder)trans-86.2116168.7-72.2-177.6177.7-174.30109.4V284 N285K279-V284 WeakPolarHBondContact CA-O 3.2Å; K279-N285 WeakPolarHBondContact CG-OD1 3.34Å
280I73.7Confident86.4Confident67 Ų6763.7 Ų63.734%0.34432%0.316SS..EExtended strand (participates in β ladder)trans-98.9124.7173.5-58.9174.2000108.3N282 R283 V284 Q286I280-N282 PolarHBondContact O-N 3.27Å; I280-R283 PolarHBondContact O-N 2.92Å; I280-V284 HydrophobicContact CB-CB 4.39Å; I280-V284 PolarHBondContact N-O 3.09Å; I280-V284 PolarHBondContact O-N 2.96Å; I280-V284 VanDerWaalsContact O-N 3.12Å; I280-Q286 HydrophobicContact CD1-CB 4.02Å; I280-Q286 VanDerWaalsContact CD1-OE1 3.26Å
281N77.7Confident86.3Confident144 Ų14463.7 Ų63.777%0.7732%0.316SS*.THydrogen-bonded Turntrans49.827.8179.5-58.8-19.2000113.7R283N281-R283 WeakPolarHBondContact O-CG 3.35Å; N281-R283 PolarHBondContact O-N 3Å
282N77.4Confident86.1Confident136 Ų13664.9 Ų64.973%0.72732%0.321SS*.THydrogen-bonded Turntrans56.111.3-173.2-148.634.2000116I280I280-N282 PolarHBondContact O-N 3.27Å
283R74.5Confident85.8Confident228 Ų22866.2 Ų66.286%0.8633%0.331SS*.THydrogen-bonded Turntrans-115.7-32.7-174.1-70.2177.7-172.1-176.82.2113.5I280 N281I280-R283 PolarHBondContact O-N 2.92Å; N281-R283 WeakPolarHBondContact O-CG 3.35Å; N281-R283 PolarHBondContact O-N 3Å
284V81.4Confident85Confident85 Ų8566.9 Ų66.952%0.51533%0.334SS..EExtended strand (participates in β ladder)trans-119.5127.6-173.7-178.90000109.8K279 I280K279-V284 WeakPolarHBondContact CA-O 3.2Å; I280-V284 HydrophobicContact CB-CB 4.39Å; I280-V284 PolarHBondContact N-O 3.09Å; I280-V284 PolarHBondContact O-N 2.96Å; I280-V284 VanDerWaalsContact O-N 3.12Å
285N83.2Confident83.9Confident111 Ų11167.3 Ų67.359%0.59434%0.336SS*.EExtended strand (participates in β ladder)trans-94.6102.8171.6-71.2-46.9000109.2L278 K279L278-N285 CarbonylContact O-C 3.6Å; L278-N285 WeakPolarHBondContact O-CA 2.96Å; K279-N285 WeakPolarHBondContact CG-OD1 3.34Å
286Q87.3Confident82.2Confident60 Ų6066.7 Ų66.728%0.2833%0.334SS..EExtended strand (participates in β ladder)trans-88.8127.7171.7-171173.8900109.8L278 I280 L288L278-Q286 PolarHBondContact N-O 2.86Å; L278-Q286 PolarHBondContact O-N 3.27Å; I280-Q286 HydrophobicContact CD1-CB 4.02Å; I280-Q286 VanDerWaalsContact CD1-OE1 3.26Å; Q286-L288 HydrophobicContact CG-CD2 4.11Å
287K90.9Very high80.1Confident88 Ų8869.9 Ų69.938%0.38335%0.351SS..EExtended strand (participates in β ladder)trans-89131.3173.7-67.5-178.9177.6-177.20109.9E245 Q275 L276E245-K287 PolarHBondContact N-O 3.5Å; E245-K287 CarbonylContact O-C 3.54Å; E245-K287 WeakPolarHBondContact O-CB 3.33Å; Q275-K287 HydrophobicContact CG-CB 4.19Å; L276-K287 WeakPolarHBondContact O-CA 3.4Å
288L91.9Very high77.9Confident5 Ų570.1 Ų70.13%0.02635%0.349CS..EExtended strand (participates in β ladder)trans-124.1140.4177.1-59.6-176.7000110.2T222 C242 A243 V244 Q275 L276 L278 Q286T222-L288 HydrophobicContact CG2-CD2 4.05Å; C242-L288 HydrophobicContact CB-CB 4.37Å; C242-L288 HydrophobicContact CB-CD1 3.96Å; A243-L288 CarbonylContact O-C 3.53Å; A243-L288 VanDerWaalsContact O-CA 3.27Å; A243-L288 WeakPolarHBondContact O-CA 3.44Å; V244-L288 HydrophobicContact CB-CD2 4.36Å; V244-L288 HydrophobicContact CG2-CD2 3.9Å; Q275-L288 CarbonylContact C-O 3.5Å; Q275-L288 VanDerWaalsContact CA-O 3.31Å; Q275-L288 WeakPolarHBondContact CA-O 3.27Å; Q275-L288 WeakPolarHBondContact CG-O 3.41Å; L276-L288 HydrophobicContact CB-CB 4.41Å; L276-L288 PolarHBondContact N-O 2.91Å; L276-L288 PolarHBondContact O-N 3.32Å; L278-L288 HydrophobicContact CD1-CD1 3.23Å; L278-L288 HydrophobicContact CD1-CG 4.17Å; L278-L288 HydrophobicContact CG-CD1 3.73Å; L278-L288 HydrophobicContact CG-CG 4.33Å; Q286-L288 HydrophobicContact CG-CD2 4.11Å
289G93.7Very high75.8Confident0 Ų076 Ų760%038%0.375CS..EExtended strand (participates in β ladder)trans-78.6134.5163.300000111.2C242 A243 E245 Y291C242-G289 VanDerWaalsContact CA-O 3.28Å; C242-G289 WeakPolarHBondContact CA-O 3.41Å; A243-G289 PolarHBondContact N-O 3.46Å; A243-G289 VanDerWaalsContact N-O 3.15Å; A243-G289 PolarHBondContact O-N 2.79Å; E245-G289 VanDerWaalsContact CG-N 3.29Å; E245-G289 WeakPolarHBondContact OE1-CA 3.26Å; G289-Y291 WeakPolarHBondContact O-CD2 3.26Å
290F92.8Very high73.7Confident1 Ų173.8 Ų73.80%0.00439%0.392CS..EExtended strand (participates in β ladder)trans-101.3120.2172-178.4-96.9000110.7L158 A229 L273 N274 L276L158-F290 HydrophobicContact CD1-CE1 4.29Å; A229-F290 HydrophobicContact CB-CD1 4.41Å; A229-F290 HydrophobicContact CB-CD2 4.22Å; A229-F290 HydrophobicContact CB-CE1 4Å; A229-F290 HydrophobicContact CB-CE2 3.77Å; A229-F290 HydrophobicContact CB-CZ 3.66Å; L273-F290 HydrophobicContact CB-CD1 4.31Å; L273-F290 HydrophobicContact CD1-CD1 4.4Å; L273-F290 HydrophobicContact CD1-CE1 4.2Å; L273-F290 PolarHBondContact N-O 2.96Å; N274-F290 WeakPolarHBondContact O-CB 3.48Å; N274-F290 PolarHBondContact O-N 3.27Å; L276-F290 HydrophobicContact CD1-CB 4.01Å; L276-F290 HydrophobicContact CD1-CD2 3.95Å; L276-F290 HydrophobicContact CD1-CG 4.35Å; L276-F290 HydrophobicContact CD2-CB 4.41Å; L276-F290 HydrophobicContact CG-CB 3.97Å
291Y94.1Very high71.7Confident0 Ų079.7 Ų79.70%041%0.41CS..EExtended strand (participates in β ladder)trans-114.2127.1-179-62.4-94.4000109.9V204 G240 I241 A243 E245 Q253 M258 V271 Y272 G289 P293V204-Y291 HydrophobicContact CB-CE1 4.39Å; V204-Y291 WeakPolarHBondContact CB-OH 3.29Å; V204-Y291 HydrophobicContact CG2-CE1 3.87Å; V204-Y291 WeakPolarHBondContact CG2-OH 3.42Å; G240-Y291 CarbonylContact C-O 3.49Å; G240-Y291 VanDerWaalsContact CA-O 3.28Å; G240-Y291 WeakPolarHBondContact CA-O 3Å; I241-Y291 PolarHBondContact N-O 3.28Å; I241-Y291 WeakPolarHBondContact O-CB 2.97Å; I241-Y291 PolarHBondContact O-N 3.07Å; A243-Y291 HydrophobicContact CB-CD2 4.49Å; A243-Y291 HydrophobicContact CB-CE2 3.94Å; E245-Y291 WeakPolarHBondContact OE1-CE2 3.34Å; E245-Y291 VanDerWaalsContact OE1-CZ 3.23Å; E245-Y291 PolarHBondContact OE1-OH 3Å; Q253-Y291 PolarHBondContact NE2-OH 3.49Å; M258-Y291 HydrophobicContact CB-CD1 3.48Å; M258-Y291 VanDerWaalsContact CB-CD1 3.48Å; M258-Y291 HydrophobicContact CB-CE1 3.6Å; M258-Y291 HydrophobicContact CB-CG 4.11Å; M258-Y291 HydrophobicContact CG-CD1 4.39Å; M258-Y291 HydrophobicContact CG-CE1 4.35Å; M258-Y291 HydrophobicContact SD-CD1 4.29Å; M258-Y291 HydrophobicContact SD-CD2 4.03Å; M258-Y291 HydrophobicContact SD-CE2 4.32Å; M258-Y291 HydrophobicContact SD-CG 4.01Å; V271-Y291 CarbonylContact O-C 3.52Å; V271-Y291 WeakPolarHBondContact O-CA 3.4Å; Y272-Y291 HydrophobicContact CD2-CD1 4.43Å; Y272-Y291 AromaticContact CD2-CE1 3.84Å; Y272-Y291 HydrophobicContact CD2-CE1 3.84Å; Y272-Y291 HydrophobicContact CD2-CE2 4.15Å; Y272-Y291 AromaticContact CD2-CZ 3.68Å; Y272-Y291 HydrophobicContact CG-CE1 4.23Å; G289-Y291 WeakPolarHBondContact O-CD2 3.26Å; Y291-P293 WeakPolarHBondContact O-CD 3.34Å
292K91.4Very high69.8Low24 Ų2479.8 Ų79.810%0.10441%0.409CS..EExtended strand (participates in β ladder)trans-89122.6174.3-170.766.4-171.5176.70110.4L158 V169 Q237 R239 G270 V271 L273L158-K292 HydrophobicContact CD1-CD 4.29Å; L158-K292 HydrophobicContact CD2-CD 3.58Å; L158-K292 VanDerWaalsContact CD2-CE 3.4Å; L158-K292 HydrophobicContact CD2-CG 4.03Å; V169-K292 HydrophobicContact CG1-CB 4.03Å; V169-K292 HydrophobicContact CG1-CG 4.17Å; Q237-K292 PolarHBondContact O-NZ 3.28Å; R239-K292 PolarHBondContact O-NZ 2.86Å; G270-K292 CarbonylContact C-O 3.54Å; G270-K292 WeakPolarHBondContact CA-O 3.28Å; V271-K292 PolarHBondContact N-O 3.46Å; V271-K292 PolarHBondContact O-N 2.01Å; L273-K292 HydrophobicContact CD1-CB 3.72Å; L273-K292 HydrophobicContact CG-CB 4.23Å
293P88.7Confident67.7Low34 Ų3478.2 Ų78.222%0.22140%0.4CS..  trans-61.3148.1170.7-23.534.1000111.5I241 Y269 Y291I241-P293 HydrophobicContact CD1-CG 4.09Å; I241-P293 HydrophobicContact CG1-CG 4.13Å; Y269-P293 WeakPolarHBondContact O-CA 3.43Å; Y291-P293 WeakPolarHBondContact O-CD 3.34Å
294I78Confident65.7Low27 Ų2773.2 Ų73.214%0.13839%0.39CS..  trans-91.8111179.5-65.9144.5000108.1L115 L189 Q268 V271 I296L115-I294 HydrophobicContact CD1-CB 4.32Å; L115-I294 HydrophobicContact CD1-CD1 3.15Å; L115-I294 HydrophobicContact CD1-CG1 3.7Å; L115-I294 HydrophobicContact CD1-CG2 3.82Å; L115-I294 HydrophobicContact CG-CD1 4.43Å; L189-I294 HydrophobicContact CD2-CD1 4.12Å; L189-I294 HydrophobicContact CD2-CG2 4.45Å; Q268-I294 HydrophobicContact CG-CD1 4Å; V271-I294 HydrophobicContact CG2-CD1 3.88Å; V271-I294 HydrophobicContact CG2-CG1 4.02Å; I294-I296 HydrophobicContact CG2-CB 4.2Å; I294-I296 HydrophobicContact CG2-CD1 3.32Å; I294-I296 HydrophobicContact CG2-CG1 3.4Å; I294-I296 PolarHBondContact O-N 3.37Å
295L67.2Low63.3Low51 Ų5177.6 Ų77.627%0.26740%0.402SS..  trans-98.473.7171.7-174.464.4000108.4R192 I306R192-L295 VanDerWaalsContact CD-CD1 3.42Å; R192-L295 HydrophobicContact CG-CD1 3.59Å; L295-I306 HydrophobicContact CD2-CG2 3.73Å; L295-I306 WeakPolarHBondContact O-CD1 3.24Å
296I54.9Low61.1Low45 Ų4574.1 Ų74.123%0.23138%0.384CS..  trans-86.7122.2171.3-69.6165000107.6L115 I171 L189 I294 V298L115-I296 HydrophobicContact CD1-CD1 4.25Å; L115-I296 HydrophobicContact CD2-CD1 4.08Å; I171-I296 HydrophobicContact CD1-CD1 3.83Å; I171-I296 HydrophobicContact CD1-CG1 3.73Å; L189-I296 HydrophobicContact CD1-CD1 4.06Å; I294-I296 HydrophobicContact CG2-CB 4.2Å; I294-I296 HydrophobicContact CG2-CD1 3.32Å; I294-I296 HydrophobicContact CG2-CG1 3.4Å; I294-I296 PolarHBondContact O-N 3.37Å; I296-V298 HydrophobicContact CB-CG2 4.45Å; I296-V298 HydrophobicContact CG2-CG2 3.81Å; I296-V298 PolarHBondContact O-N 2.91Å
297L41.8Very low58.6Low88 Ų8881.7 Ų81.746%0.46141%0.41SS..  trans-66.896.9161.6-69.1171.6000107.6Q299 I306L297-Q299 PolarHBondContact O-N 3.3Å; L297-I306 HydrophobicContact CD1-CD1 4.1Å; L297-I306 HydrophobicContact CD1-CG1 3.42Å; L297-I306 VanDerWaalsContact CD1-CG1 3.42Å; L297-I306 HydrophobicContact CG-CD1 4.04Å; L297-I306 HydrophobicContact CG-CG1 3.78Å
298V38.6Very low56.2Low84 Ų8483.4 Ų83.451%0.50942%0.419SS..  trans-85.984.4169.6-178.90000107.4K101 I296K101-V298 WeakPolarHBondContact O-CG1 3.37Å; K101-V298 WeakPolarHBondContact O-CG2 3.12Å; I296-V298 HydrophobicContact CB-CG2 4.45Å; I296-V298 HydrophobicContact CG2-CG2 3.81Å; I296-V298 PolarHBondContact O-N 2.91Å
299Q34.8Very low53.8Low178 Ų17885 Ų8583%0.83243%0.427SS*.SBendtrans-163.486.8163.1-116.2175.8-1.900110.4L297 R301L297-Q299 PolarHBondContact O-N 3.3Å; Q299-R301 PolarHBondContact O-N 3.24Å
300G34.1Very low51.4Low93 Ų9389.9 Ų89.996%0.95945%0.452SS*.SBendtrans60.4-18.6149.900000121
301R32.5Very low49.2Very low192 Ų19293.7 Ų93.773%0.72547%0.473SS*.SBendtrans-138.5133177.3-70.8-174.9-177175.30.2107Q299 D303Q299-R301 PolarHBondContact O-N 3.24Å; R301-D303 HydrophobicContact CB-CB 3.95Å; R301-D303 WeakPolarHBondContact CD-OD2 3.27Å; R301-D303 IonicContact NH1-OD2 2.57Å; R301-D303 PolarHBondContact O-N 3.37Å
302I36.7Very low47Very low146 Ų14694.3 Ų94.375%0.74948%0.476SS*.  trans-70.564.4155.3-61.1165.3000104.7
303D33.3Very low44.8Very low103 Ų10396.7 Ų96.755%0.55149%0.494SS*.  trans-87.4123.9169.4-100-31.7000107R301 F305R301-D303 HydrophobicContact CB-CB 3.95Å; R301-D303 WeakPolarHBondContact CD-OD2 3.27Å; R301-D303 IonicContact NH1-OD2 2.57Å; R301-D303 PolarHBondContact O-N 3.37Å; D303-F305 VanDerWaalsContact C-N 3.29Å; D303-F305 PolarHBondContact O-N 3.5Å
304L33.7Very low42.7Very low122 Ų122102.7 Ų102.764%0.63951%0.512SS*.SBendtrans-84.662.7-150.8-162.7114.3000110L311L304-L311 HydrophobicContact CD1-CD1 3.61Å; L304-L311 HydrophobicContact CG-CD1 4.28Å
305F30.5Very low41Very low177 Ų177104.9 Ų104.978%0.77653%0.534SS*.  trans-144.975.8176.1-100.7-86.1000112.6D303D303-F305 VanDerWaalsContact C-N 3.29Å; D303-F305 PolarHBondContact O-N 3.5Å
306I37.6Very low39.8Very low39 Ų39107.1 Ų107.120%0.254%0.543CS..  trans-95.9103.9150.6-60.1178.2000106.1L295 L297 H308 L309L295-I306 HydrophobicContact CD2-CG2 3.73Å; L295-I306 WeakPolarHBondContact O-CD1 3.24Å; L297-I306 HydrophobicContact CD1-CD1 4.1Å; L297-I306 HydrophobicContact CD1-CG1 3.42Å; L297-I306 VanDerWaalsContact CD1-CG1 3.42Å; L297-I306 HydrophobicContact CG-CD1 4.04Å; L297-I306 HydrophobicContact CG-CG1 3.78Å; I306-H308 PolarHBondContact O-N 3.19Å; I306-L309 HydrophobicContact CG2-CB 4.19Å; I306-L309 HydrophobicContact CG2-CD1 3.95Å; I306-L309 PolarHBondContact O-N 3.16Å
307R34.1Very low39.1Very low219 Ų219105.5 Ų105.583%0.82654%0.535SS*.THydrogen-bonded Turntrans-49.5112.6161.1-77.9-174.4177.3-152.50.5106.9
308H40.8Very low39Very low124 Ų124106.1 Ų106.157%0.57454%0.538SS*.THydrogen-bonded Turntrans92.319.3169.9-49.5-11000119.6I306I306-H308 PolarHBondContact O-N 3.19Å
309L41.5Very low38.9Very low38 Ų38106.9 Ų106.920%0.19955%0.547CS..  trans-124.4102.1157.9-89122.9000110.1Y156 G157 I306 L311Y156-L309 HydrophobicContact CD1-CB 4.21Å; Y156-L309 HydrophobicContact CD1-CD2 3.9Å; Y156-L309 HydrophobicContact CG-CD2 4.08Å; G157-L309 WeakPolarHBondContact O-CD2 3.37Å; I306-L309 HydrophobicContact CG2-CB 4.19Å; I306-L309 HydrophobicContact CG2-CD1 3.95Å; I306-L309 PolarHBondContact O-N 3.16Å; L309-L311 PolarHBondContact O-N 3.09Å
310L43Very low39.2Very low102 Ų102100.8 Ų100.853%0.53452%0.52SS..  trans-63.5117.9169.3-78.7150000107.9G157 I165 L312G157-L310 PolarHBondContact N-O 3.08Å; I165-L310 HydrophobicContact CD1-CB 4.38Å; I165-L310 HydrophobicContact CD1-CD1 3.75Å; I165-L310 HydrophobicContact CG1-CD1 4.44Å; L310-L312 PolarHBondContact O-N 2.85Å
311L46.8Very low39Very low82 Ų8299.8 Ų99.843%0.42950%0.498SS..BIsolated β-bridgetrans-51.7109.6156.5-86.9156.6000105.9L304 L309 P313L304-L311 HydrophobicContact CD1-CD1 3.61Å; L304-L311 HydrophobicContact CG-CD1 4.28Å; L309-L311 PolarHBondContact O-N 3.09Å; L311-P313 WeakPolarHBondContact O-CD 3.48Å; L311-P313 VanDerWaalsContact O-N 3.08Å
312L46.2Very low38.8Very low13 Ų1397.5 Ų97.57%0.06850%0.5CS..  trans-63.4113-178.4-85.8167.9000108.1L155 I165 L310 R314 H316 I320L155-L312 HydrophobicContact CB-CB 4.48Å; L155-L312 PolarHBondContact O-N 2.71Å; I165-L312 HydrophobicContact CB-CD2 3.99Å; I165-L312 HydrophobicContact CD1-CD2 4.09Å; I165-L312 HydrophobicContact CG2-CD2 3.47Å; I165-L312 VanDerWaalsContact CG2-CD2 3.47Å; I165-L312 HydrophobicContact CG2-CG 4.2Å; L310-L312 PolarHBondContact O-N 2.85Å; L312-R314 PolarHBondContact O-N 3.36Å; L312-H316 HydrophobicContact CD2-CB 4.28Å; L312-I320 HydrophobicContact CD1-CD1 4.47Å; L312-I320 HydrophobicContact CD2-CD1 4.2Å
313P45.9Very low38.5Very low74 Ų74101.5 Ų101.548%0.48152%0.516SS..  trans-60.7131.1166.6-14.430.1000106.3L311 A315 H316L311-P313 WeakPolarHBondContact O-CD 3.48Å; L311-P313 VanDerWaalsContact O-N 3.08Å; P313-A315 PolarHBondContact O-N 3.18Å; P313-H316 PolarHBondContact O-N 3.21Å
314R44Very low38.8Very low159 Ų159101.4 Ų101.460%0.651%0.514SS*.G310 helixtrans-51.6-27.9-177.5-78.1-178.5-179158.25.8113L312 H316 M317L312-R314 PolarHBondContact O-N 3.36Å; R314-H316 VanDerWaalsContact C-N 3.26Å; R314-H316 PolarHBondContact O-N 3.03Å; R314-M317 PolarHBondContact O-N 2.69Å; R314-M317 VanDerWaalsContact O-N 3.16Å
315A43Very low39Very low73 Ų73100.3 Ų100.360%0.60351%0.507SS*.G310 helixtrans-56.9-34.5173.800000113.3P313 M317 N318P313-A315 PolarHBondContact O-N 3.18Å; A315-M317 VanDerWaalsContact C-N 3.35Å; A315-M317 PolarHBondContact O-N 3.4Å; A315-N318 WeakPolarHBondContact O-CB 3.44Å; A315-N318 PolarHBondContact O-N 3.12Å
316H42.2Very low39.5Very low98 Ų9896.1 Ų96.145%0.45449%0.493SS..G310 helixtrans-74.6-19.2178.3-101.1-77.1000113.8L312 P313 R314 N318 S319 I320L312-H316 HydrophobicContact CD2-CB 4.28Å; P313-H316 PolarHBondContact O-N 3.21Å; R314-H316 VanDerWaalsContact C-N 3.26Å; R314-H316 PolarHBondContact O-N 3.03Å; H316-N318 PolarHBondContact O-N 2.97Å; H316-S319 PolarHBondContact O-N 3.01Å; H316-I320 WeakPolarHBondContact O-CG1 3.48Å
317M40.8Very low39.6Very low12 Ų1299.4 Ų99.46%0.05951%0.51CS..G310 helixtrans-66.6-17171.9-66.8-166.991.400112.8G122 L155 R314 A315 S319 I320G122-M317 WeakPolarHBondContact O-CE 3.28Å; L155-M317 HydrophobicContact CD1-CE 4.26Å; L155-M317 HydrophobicContact CD1-SD 3.46Å; L155-M317 WeakPolarHBondContact CD1-SD 3.35Å; R314-M317 PolarHBondContact O-N 2.69Å; R314-M317 VanDerWaalsContact O-N 3.16Å; A315-M317 VanDerWaalsContact C-N 3.35Å; A315-M317 PolarHBondContact O-N 3.4Å; M317-S319 PolarHBondContact O-N 2.96Å; M317-I320 HydrophobicContact CG-CD1 4.4Å; M317-I320 PolarHBondContact O-N 2.83Å
318N38.3Very low40Very low100 Ų10091.9 Ų91.954%0.53549%0.49SS..G310 helixtrans-66.9-28.5175.1-67.2-19.2000112R123 A315 H316R123-N318 PolarHBondContact NH2-O 3.45Å; A315-N318 WeakPolarHBondContact O-CB 3.44Å; A315-N318 PolarHBondContact O-N 3.12Å; H316-N318 PolarHBondContact O-N 2.97Å
319S38.1Very low39.9Very low100 Ų10089.8 Ų89.870%0.69948%0.484SS*.G310 helixtrans-94.50.2-179.3-171.90000114.4H316 M317H316-S319 PolarHBondContact O-N 3.01Å; M317-S319 PolarHBondContact O-N 2.96Å
320I39.5Very low39.8Very low51 Ų5193.5 Ų93.526%0.26251%0.505SS..SBendtrans-91.8-0.9-172.7-64.5173.1000112.6I165 L312 H316 M317I165-I320 WeakPolarHBondContact O-CD1 3.45Å; I165-I320 WeakPolarHBondContact O-CG1 3.12Å; L312-I320 HydrophobicContact CD1-CD1 4.47Å; L312-I320 HydrophobicContact CD2-CD1 4.2Å; H316-I320 WeakPolarHBondContact O-CG1 3.48Å; M317-I320 HydrophobicContact CG-CD1 4.4Å; M317-I320 PolarHBondContact O-N 2.83Å
321S31.3Very low39.6Very low71 Ų7192.8 Ų92.850%0.49750%0.502SS..  trans-109.168.1177.3-62.50000110.9
322D26.9Very low39Very low145 Ų14593.8 Ų93.878%0.77551%0.509SS*.  trans-152.9121.6152.1-87.3-36.9000107.6
323Q31.3Very low38.3Very low229 Ų229101.1 Ų101.1100%1.0755%0.549SS*.  trans92.10175.1-55.3171.1000117.6

Retrieved 323 of 323 residues in 333.4 ms (Link to these results)