A0A060Z120_ONCMY Loading...

Interleukin 17a/f1

AlphaFold DB , UniProt , Accession A0A060Z120, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene il17a/f1, Length 169 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
1M50.3Low66.6Low246 Ų246120.3 Ų120.3100%1.21268%0.683SS**  0107.40-70.593.696.600109.1
2G57.5Low67.9Low76 Ų76116.9 Ų116.978%0.78467%0.666SS**  trans-144.950.4-174.600000112.1
3S58.5Low69Low89 Ų89115.5 Ų115.562%0.62266%0.655SS**  trans-125.1-11.4-174.2-144.30000114.2V7S3-V7 WeakPolarHBondContact O-CG2 3.34Å
4T58Low69.9Low114 Ų114112.9 Ų112.970%0.69965%0.646SS**Hα-helixtrans-81.8-30.7-175.449.70000113.5H8T4-H8 PolarHBondContact O-N 3.04Å
5S61.6Low70.7Confident96 Ų96112 Ų11267%0.67164%0.638SS**Hα-helixtrans-73.1-35.9-177.4-164.20000113.4F9S5-F9 WeakPolarHBondContact O-CB 3.27Å; S5-F9 PolarHBondContact O-N 3.46Å; S5-F9 VanDerWaalsContact O-N 3.12Å
6N67.6Low71.2Confident115 Ų115112 Ų11262%0.61563%0.632SS**Hα-helixtrans-71.8-37.8177.9-88.7-34.6000111.9F9 L10N6-F9 PolarHBondContact O-N 3Å; N6-L10 WeakPolarHBondContact O-CB 3.35Å; N6-L10 WeakPolarHBondContact O-CD1 3.35Å; N6-L10 WeakPolarHBondContact O-CG 3.31Å; N6-L10 PolarHBondContact O-N 3.3Å
7V73.6Confident71.4Confident84 Ų84107.6 Ų107.651%0.50962%0.617SS.*Hα-helixtrans-68-40177.5-178.70000110.8S3 F9 L10 M11S3-V7 WeakPolarHBondContact O-CG2 3.34Å; V7-F9 PolarHBondContact O-N 3.41Å; V7-L10 PolarHBondContact O-N 3.4Å; V7-M11 HydrophobicContact CG1-CG 4.45Å; V7-M11 WeakPolarHBondContact O-CB 3.41Å; V7-M11 VanDerWaalsContact O-CG 3.27Å; V7-M11 WeakPolarHBondContact O-CG 3.32Å; V7-M11 PolarHBondContact O-N 3.34Å
8H73.6Confident71.5Confident139 Ų139107.7 Ų107.764%0.64462%0.615SS**Hα-helixtrans-61.6-43173.2-101.6-77.7000112.3T4 M11 V12T4-H8 PolarHBondContact O-N 3.04Å; H8-M11 PolarHBondContact O-N 3.37Å; H8-V12 WeakPolarHBondContact O-CG2 3.37Å; H8-V12 PolarHBondContact O-N 3.18Å
9F78.8Confident71.3Confident140 Ų140108 Ų10861%0.61461%0.614SS**Hα-helixtrans-65.5-42.8179-162.4-101.6000112.1S5 N6 V7 V12 L13S5-F9 WeakPolarHBondContact O-CB 3.27Å; S5-F9 PolarHBondContact O-N 3.46Å; S5-F9 VanDerWaalsContact O-N 3.12Å; N6-F9 PolarHBondContact O-N 3Å; V7-F9 PolarHBondContact O-N 3.41Å; F9-V12 PolarHBondContact O-N 3.2Å; F9-L13 HydrophobicContact CD1-CD1 3.82Å; F9-L13 HydrophobicContact CD1-CG 4.4Å; F9-L13 HydrophobicContact CE1-CD1 3.67Å; F9-L13 HydrophobicContact CE1-CG 4.26Å; F9-L13 WeakPolarHBondContact O-CG 3.38Å; F9-L13 PolarHBondContact O-N 3.27Å
10L75.7Confident70.9Confident113 Ų113108.2 Ų108.259%0.59262%0.617SS**Hα-helixtrans-62.6-41.9174.3-79.9156.6000112.2N6 V7 V12 L13 C14N6-L10 WeakPolarHBondContact O-CB 3.35Å; N6-L10 WeakPolarHBondContact O-CD1 3.35Å; N6-L10 WeakPolarHBondContact O-CG 3.31Å; N6-L10 PolarHBondContact O-N 3.3Å; V7-L10 PolarHBondContact O-N 3.4Å; L10-V12 PolarHBondContact O-N 3.44Å; L10-L13 PolarHBondContact O-N 3.39Å; L10-C14 WeakPolarHBondContact O-CB 3.49Å; L10-C14 PolarHBondContact O-N 2.93Å
11M77.7Confident70.5Confident111 Ų111110.4 Ų110.455%0.54762%0.624SS.*Hα-helixtrans-62.2-42.6176.5-78.8-67.7-67.100112.1V7 H8 C14 L15V7-M11 HydrophobicContact CG1-CG 4.45Å; V7-M11 WeakPolarHBondContact O-CB 3.41Å; V7-M11 VanDerWaalsContact O-CG 3.27Å; V7-M11 WeakPolarHBondContact O-CG 3.32Å; V7-M11 PolarHBondContact O-N 3.34Å; H8-M11 PolarHBondContact O-N 3.37Å; M11-C14 PolarHBondContact O-N 3.36Å; M11-L15 WeakPolarHBondContact O-CG 3.46Å; M11-L15 PolarHBondContact O-N 3.39Å
12V82.1Confident71Confident80 Ų80106.5 Ų106.549%0.48561%0.605SS.*Hα-helixtrans-65-45177.3173.20000111H8 F9 L10 C14 L15 M16H8-V12 WeakPolarHBondContact O-CG2 3.37Å; H8-V12 PolarHBondContact O-N 3.18Å; F9-V12 PolarHBondContact O-N 3.2Å; L10-V12 PolarHBondContact O-N 3.44Å; V12-C14 VanDerWaalsContact C-N 3.3Å; V12-C14 PolarHBondContact O-N 3.35Å; V12-L15 PolarHBondContact O-N 3.05Å; V12-M16 HydrophobicContact CG1-CG 4.48Å; V12-M16 WeakPolarHBondContact O-CG 3.35Å; V12-M16 PolarHBondContact O-N 3.12Å
13L81.9Confident71.1Confident99 Ų99111.3 Ų111.352%0.51861%0.609SS.*Hα-helixtrans-60.7-40175.5-72.9174.2000112.1F9 L10 M16 G17F9-L13 HydrophobicContact CD1-CD1 3.82Å; F9-L13 HydrophobicContact CD1-CG 4.4Å; F9-L13 HydrophobicContact CE1-CD1 3.67Å; F9-L13 HydrophobicContact CE1-CG 4.26Å; F9-L13 WeakPolarHBondContact O-CG 3.38Å; F9-L13 PolarHBondContact O-N 3.27Å; L10-L13 PolarHBondContact O-N 3.39Å; L13-M16 PolarHBondContact O-N 3.34Å; L13-G17 PolarHBondContact O-N 3.49Å
14C82.1Confident71.2Confident79 Ų79110.3 Ų110.353%0.53461%0.612SS.*Hα-helixtrans-66-41.2178.7-147.40000111.8L10 M11 V12 G17 L18L10-C14 WeakPolarHBondContact O-CB 3.49Å; L10-C14 PolarHBondContact O-N 2.93Å; M11-C14 PolarHBondContact O-N 3.36Å; V12-C14 VanDerWaalsContact C-N 3.3Å; V12-C14 PolarHBondContact O-N 3.35Å; C14-G17 PolarHBondContact O-N 3.03Å; C14-L18 WeakPolarHBondContact O-CG 3.4Å; C14-L18 PolarHBondContact O-N 3.37Å
15L80.9Confident70.6Confident99 Ų99109 Ų10952%0.51861%0.614SS.*Hα-helixtrans-64.3-43.1175.5-72.4170.3000111.9M11 V12 L18 L19M11-L15 WeakPolarHBondContact O-CG 3.46Å; M11-L15 PolarHBondContact O-N 3.39Å; V12-L15 PolarHBondContact O-N 3.05Å; L15-L18 PolarHBondContact O-N 3.33Å; L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 3.5Å
16M78.8Confident69.7Low112 Ų112114 Ų11455%0.55263%0.626SS**Hα-helixtrans-65.3-39.3176.8-64.2-56.3-69.600111.8V12 L13 L19 V20V12-M16 HydrophobicContact CG1-CG 4.48Å; V12-M16 WeakPolarHBondContact O-CG 3.35Å; V12-M16 PolarHBondContact O-N 3.12Å; L13-M16 PolarHBondContact O-N 3.34Å; M16-L19 PolarHBondContact O-N 3.44Å; M16-L19 HydrophobicContact SD-CD1 4.29Å; M16-V20 WeakPolarHBondContact O-CG2 3.42Å; M16-V20 PolarHBondContact O-N 2.94Å
17G75.1Confident68.3Low37 Ų37112.6 Ų112.638%0.38163%0.63SS.*Hα-helixtrans-62.7-42.1174.600000113.1L13 C14 V20 M21L13-G17 PolarHBondContact O-N 3.49Å; C14-G17 PolarHBondContact O-N 3.03Å; G17-V20 PolarHBondContact O-N 2.97Å; G17-M21 WeakPolarHBondContact O-CG 3.34Å; G17-M21 PolarHBondContact O-N 3.39Å
18L73.4Confident67Low110 Ų110113 Ų11358%0.57664%0.643SS**Hα-helixtrans-64.5-38.6175.7-71.9170.5000112.1C14 L15 V20 M21 M22C14-L18 WeakPolarHBondContact O-CG 3.4Å; C14-L18 PolarHBondContact O-N 3.37Å; L15-L18 PolarHBondContact O-N 3.33Å; L18-V20 VanDerWaalsContact C-N 3.33Å; L18-V20 PolarHBondContact O-N 3.34Å; L18-M21 PolarHBondContact O-N 2.99Å; L18-M22 VanDerWaalsContact O-CG 3.31Å; L18-M22 WeakPolarHBondContact O-CG 3.34Å; L18-M22 PolarHBondContact O-N 2.9Å
19L67.4Low65.4Low113 Ų113112.1 Ų112.159%0.59265%0.649SS**Hα-helixtrans-64.7-34.6176.9-71.2172000112.9L15 M16L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 3.5Å; M16-L19 PolarHBondContact O-N 3.44Å; M16-L19 HydrophobicContact SD-CD1 4.29Å
20V64.4Low63.5Low112 Ų112113.7 Ų113.768%0.67966%0.658SS**Hα-helixtrans-72.2-32.41781760000111.9M16 G17 L18 M22M16-V20 WeakPolarHBondContact O-CG2 3.42Å; M16-V20 PolarHBondContact O-N 2.94Å; G17-V20 PolarHBondContact O-N 2.97Å; L18-V20 VanDerWaalsContact C-N 3.33Å; L18-V20 PolarHBondContact O-N 3.34Å; V20-M22 VanDerWaalsContact C-N 3.32Å; V20-M22 PolarHBondContact O-N 2.92Å
21M62.2Low61.4Low155 Ų155115 Ų11576%0.76467%0.67SS**Hα-helixtrans-76.4-16.1179.6-65.3-69.2-7400113.8G17 L18G17-M21 WeakPolarHBondContact O-CG 3.34Å; G17-M21 PolarHBondContact O-N 3.39Å; L18-M21 PolarHBondContact O-N 2.99Å
22M59.8Low59.6Low163 Ų163117.5 Ų117.580%0.80368%0.681SS**THydrogen-bonded Turntrans-91.51-179.2-65.1-64.6-69.100114L18 V20L18-M22 VanDerWaalsContact O-CG 3.31Å; L18-M22 WeakPolarHBondContact O-CG 3.34Å; L18-M22 PolarHBondContact O-N 2.9Å; V20-M22 VanDerWaalsContact C-N 3.32Å; V20-M22 PolarHBondContact O-N 2.92Å
23M59.8Low57.9Low178 Ų178119.8 Ų119.888%0.87770%0.697SS**THydrogen-bonded Turntrans-10419.5178-70.9-81.1-87.400113.1
24G59.8Low55.5Low67 Ų67118.7 Ų118.769%0.69171%0.709SS**  trans-130.251.9-173.700000114.6
25A45.8Very low53.4Low88 Ų88122.4 Ų122.473%0.72772%0.723SS**  trans-160.4109.5163.100000111.2
26E44.1Very low51.4Low201 Ų201124.1 Ų124.194%0.93974%0.738SS**  trans167.8147.8147.3-99.5166.4152.900108.3
27A37.9Very low49.2Very low84 Ų84122.6 Ų122.669%0.69475%0.751SS**  cis-170.2146.8-22.600000104.3
28A45.2Very low47.7Very low93 Ų93133 Ų13377%0.76978%0.779SS**PPolyproline II helixtrans-69.1149.617100000111
29P39.8Very low46Very low121 Ų121138.6 Ų138.679%0.78679%0.792SS**PPolyproline II helixtrans-102.4128.9156.2-0.220.2000111.4
30H39.2Very low44.5Very low172 Ų172138.1 Ų138.180%0.79680%0.798SS**PPolyproline II helixtrans-67.3138.1163.7-80.6-92.4000111.6
31V31.7Very low43.6Very low140 Ų140140.9 Ų140.985%0.84880%0.804SS**  trans-142125157.7178.20000109
32H39.7Very low42.4Very low165 Ų165140.4 Ų140.476%0.76480%0.804SS**  trans-120.5171.8164.5-74.6-72.1000108.3
33P47.3Very low41.1Very low127 Ų127139.9 Ų139.983%0.82581%0.805SS**  -124.9158.6-6634.6-18.1000111.5
34G30.7Very low40.5Very low76 Ų76139.1 Ų139.178%0.78480%0.803SS**  trans-172.588.4176.900000115.8
35L39.2Very low39.7Very low157 Ų157144.7 Ų144.782%0.82281%0.811SS**  trans17.5129.8152.2-76.5142.8000122.4
36T37.1Very low39.5Very low136 Ų136144.1 Ų144.183%0.83481%0.814SS**  trans74.6123.1142.461.50000120
37G34.3Very low39.6Very low79 Ų79143.3 Ų143.381%0.81481%0.81SS**  trans152.481160.600000115.2R39G37-R39 PolarHBondContact O-N 3.19Å
38R43Very low40Very low257 Ų257148.8 Ų148.897%0.9782%0.818SS**  trans-71.2108.2174.2-167.2-179.3-171173.92.3109.8
39R37.1Very low40Very low226 Ų226153 Ų15385%0.85382%0.819SS**  trans-154.8108.9160.7-153.6170-168.9171.22.4111.6G37 Q41G37-R39 PolarHBondContact O-N 3.19Å; R39-Q41 PolarHBondContact O-N 3.29Å
40S36.7Very low40.2Very low103 Ų103152.8 Ų152.872%0.7282%0.818SS**  trans-73.7113.2174.3-176.80000109.6
41Q45.2Very low40.9Very low171 Ų171151.2 Ų151.280%0.79982%0.82SS**  trans-123.398164.2-91.2-178.2-30.800107R39 N43R39-Q41 PolarHBondContact O-N 3.29Å; Q41-N43 PolarHBondContact O-N 3.24Å
42N36.6Very low42.2Very low145 Ų145150.6 Ų150.678%0.77581%0.808SS**  trans-76.1109.3171.8-75.5-7.7000108.8
43N33.8Very low42.6Very low152 Ų152148.4 Ų148.481%0.81381%0.808SS**  trans-75.6113.6174.6-165.8-20.1000108.7Q41 Q45Q41-N43 PolarHBondContact O-N 3.24Å; N43-Q45 PolarHBondContact O-N 3.31Å; N43-Q45 VanDerWaalsContact O-N 3.15Å
44L45.9Very low42.8Very low162 Ų162147.1 Ų147.185%0.84880%0.802SS**  trans-69.7106.3174.2-110.475.3000108.8G46L44-G46 PolarHBondContact O-N 3.4Å
45Q43.1Very low44.4Very low183 Ų183146.1 Ų146.186%0.85579%0.787SS**  trans-51.6124.6168.8-84.4166.2-5.800110.6N43 H47N43-Q45 PolarHBondContact O-N 3.31Å; N43-Q45 VanDerWaalsContact O-N 3.15Å; Q45-H47 PolarHBondContact O-N 3.2Å
46G41.5Very low45.5Very low76 Ų76144.7 Ų144.778%0.78479%0.787SS**  trans-55.8108.7175.400000111.3L44 K48L44-G46 PolarHBondContact O-N 3.4Å; G46-K48 PolarHBondContact O-N 2.8Å
47H46.2Very low47.2Very low184 Ų184145.4 Ų145.485%0.85279%0.786SS**  trans-67.6110.2168.3-131.557.4000107.9Q45 K49Q45-H47 PolarHBondContact O-N 3.2Å; H47-K49 PolarHBondContact O-N 3.36Å
48K46.6Very low49Very low199 Ų199146.6 Ų146.687%0.86578%0.777SS**  trans-58112.6166.2-76.3-176.5177.9-179.80107.3G46G46-K48 PolarHBondContact O-N 2.8Å
49K44.5Very low51Low182 Ų182141.7 Ų141.779%0.79177%0.768SS**  trans-52.4128.6171.6-125.1-178.8-179.6-175.10108.2H47 V51H47-K49 PolarHBondContact O-N 3.36Å; K49-V51 PolarHBondContact O-N 2.9Å
50P45.5Very low53.3Low117 Ų117137.1 Ų137.176%0.7677%0.766SS**  trans-58122.1163.3-21.232.8000107.9E52P50-E52 PolarHBondContact O-N 2.83Å; P50-E52 VanDerWaalsContact O-N 3.11Å
51V53.4Low55.8Low139 Ų139137.1 Ų137.184%0.84276%0.761SS**  trans-68106.7169.7174.20000106K49K49-V51 PolarHBondContact O-N 2.9Å
52E57.8Low57.8Low126 Ų126135.3 Ų135.359%0.58976%0.764SS**  trans-64.8127.6167.5-168170.3-160.900107.1P50 S54P50-E52 PolarHBondContact O-N 2.83Å; P50-E52 VanDerWaalsContact O-N 3.11Å; E52-S54 VanDerWaalsContact C-N 3.26Å; E52-S54 PolarHBondContact O-N 3.11Å
53P49.1Very low60.1Low120 Ų120133.1 Ų133.178%0.77975%0.752SS**  trans-69.493173.525.8-28.8000107.6A55P53-A55 VanDerWaalsContact C-N 3.29Å; P53-A55 PolarHBondContact O-N 3.17Å
54S51.5Low62.6Low100 Ų100133.2 Ų133.270%0.69975%0.747SS**  trans-63.795.3166.955.80000107.2E52E52-S54 VanDerWaalsContact C-N 3.26Å; E52-S54 PolarHBondContact O-N 3.11Å
55A64Low64.2Low55 Ų55129.3 Ų129.346%0.45573%0.727SS.*  trans-57129.9168.700000107.2P53 N57 T58P53-A55 VanDerWaalsContact C-N 3.29Å; P53-A55 PolarHBondContact O-N 3.17Å; A55-N57 PolarHBondContact O-N 3.04Å; A55-T58 HydrophobicContact CB-CG2 4.12Å; A55-T58 PolarHBondContact O-N 3.15Å
56P61.8Low66.1Low127 Ų127123 Ų12383%0.82570%0.699SS**THydrogen-bonded Turntrans-63.5-4.1-16016.6-28.6000116.2
57N72.8Confident67.8Low151 Ų151124.3 Ų124.381%0.80769%0.694SS**THydrogen-bonded Turntrans-131.623.7-174.7-67.1-11000114.9A55 I59A55-N57 PolarHBondContact O-N 3.04Å; N57-I59 PolarHBondContact O-N 3.04Å
58T73.3Confident69.5Low104 Ų104120.5 Ų120.564%0.63869%0.688SS**  trans-74.6109.8178.751.20000111.9A55A55-T58 HydrophobicContact CB-CG2 4.12Å; A55-T58 PolarHBondContact O-N 3.15Å
59I85.5Confident71.2Confident153 Ų153116.7 Ų116.779%0.78568%0.677SS**  trans-87.3123.7169.9-57.1174.7000108.3N57 V61N57-I59 PolarHBondContact O-N 3.04Å; I59-V61 HydrophobicContact CG2-CG1 3.98Å
60T85Confident72.7Confident130 Ų130112.8 Ų112.880%0.79866%0.664SS**  trans-106.4128.5171.8-57.30000108.6
61V88.6Confident74.3Confident103 Ų103114.8 Ų114.862%0.62467%0.667SS**  trans-119.9143.6178.2-62.10000109.9I59 L63I59-V61 HydrophobicContact CG2-CG1 3.98Å; V61-L63 PolarHBondContact O-N 3.45Å
62P87.8Confident75.3Confident133 Ų133113.6 Ų113.686%0.86466%0.662SS**  trans-66.5130.7169.328.4-32.4000109.2
63L85.1Confident76.2Confident100 Ų100112 Ų11252%0.52467%0.67SS.*  trans-119.2119.9177.5-178.469.9000108.9V61 L65 L135V61-L63 PolarHBondContact O-N 3.45Å; L63-L65 HydrophobicContact CD1-CD2 4.09Å; L63-L65 HydrophobicContact CD2-CD1 3.97Å; L63-L65 HydrophobicContact CD2-CD2 3.93Å; L63-L65 HydrophobicContact CD2-CG 3.88Å; L63-L65 HydrophobicContact CG-CD2 3.96Å; L63-L65 HydrophobicContact CG-CG 3.94Å; L63-L135 HydrophobicContact CD2-CD1 3.34Å
64H84.7Confident77.7Confident153 Ų153116.9 Ų116.971%0.70867%0.673SS**  trans-101.8116.8170.9-169.2-101.7000108.3
65L80.3Confident79Confident80 Ų80118.6 Ų118.642%0.41968%0.682SS.*  trans-109.494.3175.3-63.7177.1000107.5L63 P67 F98 L135L63-L65 HydrophobicContact CD1-CD2 4.09Å; L63-L65 HydrophobicContact CD2-CD1 3.97Å; L63-L65 HydrophobicContact CD2-CD2 3.93Å; L63-L65 HydrophobicContact CD2-CG 3.88Å; L63-L65 HydrophobicContact CG-CD2 3.96Å; L63-L65 HydrophobicContact CG-CG 3.94Å; L65-P67 WeakPolarHBondContact O-CD 3.41Å; L65-F98 HydrophobicContact CD1-CD1 4.31Å; L65-F98 HydrophobicContact CD1-CD2 4.45Å; L65-F98 HydrophobicContact CD1-CE1 4.29Å; L65-F98 HydrophobicContact CD1-CE2 4.42Å; L65-F98 HydrophobicContact CD1-CG 4.38Å; L65-F98 HydrophobicContact CD1-CZ 4.34Å; L65-F98 HydrophobicContact CD2-CE1 4.31Å; L65-L135 HydrophobicContact CD1-CD1 4.38Å
66D82.6Confident79.8Confident52 Ų52122.2 Ų122.228%0.27870%0.698SS.*  trans-93116.1171-164.6-30.4000109S68 D69D66-S68 PolarHBondContact O-N 2.85Å; D66-S68 VanDerWaalsContact O-N 3.13Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 3.34Å; D66-S68 PolarHBondContact OD1-OG 3.06Å; D66-D69 HydrophobicContact CB-CB 4.19Å; D66-D69 WeakPolarHBondContact CB-OD2 3.45Å; D66-D69 PolarHBondContact O-N 2.78Å; D66-D69 VanDerWaalsContact O-N 3.07Å
67P78Confident80.8Confident102 Ų102127 Ų12766%0.66270%0.7SS**THydrogen-bonded Turntrans-56.1-25174-25.335.6000113.7L65 D69 L70L65-P67 WeakPolarHBondContact O-CD 3.41Å; P67-D69 VanDerWaalsContact C-N 3.33Å; P67-L70 HydrophobicContact CB-CD1 4.46Å; P67-L70 WeakPolarHBondContact O-CB 3.26Å; P67-L70 PolarHBondContact O-N 3.03Å
68S82.2Confident81.4Confident104 Ų104123.8 Ų123.873%0.72769%0.689SS**THydrogen-bonded Turntrans-72.6-27.9179-39.40000112.5D66 L70D66-S68 PolarHBondContact O-N 2.85Å; D66-S68 VanDerWaalsContact O-N 3.13Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 3.34Å; D66-S68 PolarHBondContact OD1-OG 3.06Å; S68-L70 VanDerWaalsContact C-N 3.32Å
69D81.9Confident82.4Confident119 Ų119124.1 Ų124.164%0.63669%0.686SS**THydrogen-bonded Turntrans-84.8-8.9176.8-68.4-26.8000112.3D66 P67 I71D66-D69 HydrophobicContact CB-CB 4.19Å; D66-D69 WeakPolarHBondContact CB-OD2 3.45Å; D66-D69 PolarHBondContact O-N 2.78Å; D66-D69 VanDerWaalsContact O-N 3.07Å; P67-D69 VanDerWaalsContact C-N 3.33Å; D69-I71 PolarHBondContact O-N 2.86Å
70L76.7Confident82.9Confident100 Ų100116.8 Ų116.852%0.52465%0.648SS.*  trans-68.9104.1176.5-63.8178000109.4P67 S68 P72P67-L70 HydrophobicContact CB-CD1 4.46Å; P67-L70 WeakPolarHBondContact O-CB 3.26Å; P67-L70 PolarHBondContact O-N 3.03Å; S68-L70 VanDerWaalsContact C-N 3.32Å; L70-P72 WeakPolarHBondContact O-CD 3.43Å; L70-P72 VanDerWaalsContact O-N 3.16Å
71I79.1Confident83.3Confident160 Ų160117.2 Ų117.282%0.82165%0.645SS**  trans-66.7111.8171.6-57.1176000107.6D69 A73D69-I71 PolarHBondContact O-N 2.86Å; I71-A73 PolarHBondContact O-N 2.87Å
72P74.2Confident83.6Confident113 Ų113120.3 Ų120.373%0.73465%0.653SS**PPolyproline II helixtrans-63132.2179.2-18.832.9000109.1L70 R74L70-P72 WeakPolarHBondContact O-CD 3.43Å; L70-P72 VanDerWaalsContact O-N 3.16Å; P72-R74 PolarHBondContact O-N 2.84Å
73A76Confident84.1Confident93 Ų93115.1 Ų115.177%0.76962%0.62SS**PPolyproline II helixtrans-59.8139170.500000108.8I71I71-A73 PolarHBondContact O-N 2.87Å
74R80.9Confident84.7Confident223 Ų223114.9 Ų114.984%0.84262%0.618SS**PPolyproline II helixtrans-58.9134.6173.8-70-176.3179.8-1730.2108.6P72 V76P72-R74 PolarHBondContact O-N 2.84Å; R74-V76 WeakPolarHBondContact O-CG2 3.3Å; R74-V76 PolarHBondContact O-N 2.8Å
75P78.1Confident85.3Confident135 Ų135107.8 Ų107.888%0.87759%0.585SS**  trans-58.4109.5175.8-21.831.5000109.8
76V80.3Confident86.2Confident132 Ų132104.8 Ų104.880%0.857%0.571SS**PPolyproline II helixtrans-88.9127.2173.7-175.40000107.3R74 S78R74-V76 WeakPolarHBondContact O-CG2 3.3Å; R74-V76 PolarHBondContact O-N 2.8Å; V76-S78 PolarHBondContact O-N 2.85Å
77R84.2Confident86.9Confident227 Ų227103.6 Ų103.686%0.85756%0.562SS**PPolyproline II helixtrans-63.2127.7173.2-66.6-176.7-179.7-170.1-0.1108.4I79R77-I79 PolarHBondContact O-N 2.77Å
78S85.1Confident87.8Confident84 Ų84102.6 Ų102.659%0.58756%0.555SS**PPolyproline II helixtrans-63121.7174.6-178.50000109.6V76 G80V76-S78 PolarHBondContact O-N 2.85Å; S78-G80 PolarHBondContact OG-N 3.39Å
79I94.3Very high88.4Confident110 Ų110101.5 Ų101.556%0.56454%0.543SS*.  trans-92.40.6175.161.8164.5000112.2R77 N81 H82 S83 W87R77-I79 PolarHBondContact O-N 2.77Å; I79-N81 VanDerWaalsContact C-N 3.29Å; I79-N81 PolarHBondContact O-N 2.85Å; I79-H82 CarbonylContact O-C 3.57Å; I79-H82 PolarHBondContact O-N 3.43Å; I79-S83 PolarHBondContact O-N 2.83Å; I79-W87 HydrophobicContact CD1-CH2 4.07Å; I79-W87 HydrophobicContact CG1-CH2 3.71Å; I79-W87 HydrophobicContact CG1-CZ2 3.91Å
80G95.3Very high89.1Confident0 Ų0100.6 Ų100.60%054%0.539CS..G310 helixtrans-58.1-37.6-17100000114.2S78 H82 P86S78-G80 PolarHBondContact OG-N 3.39Å; G80-H82 VanDerWaalsContact C-N 3.31Å; G80-H82 PolarHBondContact O-N 3Å; G80-P86 VanDerWaalsContact O-CA 3.27Å; G80-P86 WeakPolarHBondContact O-CA 3.49Å; G80-P86 WeakPolarHBondContact O-CB 3.4Å
81N94.6Very high90Very high138 Ų13899.6 Ų99.674%0.73854%0.537SS*.G310 helixtrans-76.7-17.2177.5-66.7-10.1000113.6I79I79-N81 VanDerWaalsContact C-N 3.29Å; I79-N81 PolarHBondContact O-N 2.85Å
82H94.7Very high90.8Very high168 Ų16894.2 Ų94.278%0.77851%0.511SS*.G310 helixtrans-99.5-4.5178-59.2152.8000112.6I79 G80I79-H82 CarbonylContact O-C 3.57Å; I79-H82 PolarHBondContact O-N 3.43Å; G80-H82 VanDerWaalsContact C-N 3.31Å; G80-H82 PolarHBondContact O-N 3Å
83S97.3Very high91.9Very high24 Ų2495.4 Ų95.417%0.16850%0.502CS..SBendtrans-73.5143.3176179.80000110.6I79 S85 W87I79-S83 PolarHBondContact O-N 2.83Å; S83-S85 PolarHBondContact O-N 2.87Å; S83-S85 PolarHBondContact OG-N 2.84Å; S83-S85 PolarHBondContact OG-O 2.82Å; S83-S85 PolarHBondContact OG-OG 3.19Å; S83-W87 VanDerWaalsContact CB-CZ3 3.47Å; S83-W87 WeakPolarHBondContact OG-CZ3 3.32Å
84I98.1Very high92.9Very high96 Ų9693 Ų9349%0.49248%0.476SS..SBendtrans-67.4-21168.361.6169.5000112.2P86 C112 L113 C160I84-P86 VanDerWaalsContact C-CD 3.49Å; I84-P86 VanDerWaalsContact O-CD 3.3Å; I84-P86 WeakPolarHBondContact O-CD 3.44Å; I84-C112 CarbonylContact O-C 3.52Å; I84-C112 WeakPolarHBondContact O-CA 3.33Å; I84-L113 HydrophobicContact CB-CB 4.46Å; I84-L113 PolarHBondContact O-N 2.73Å; I84-C160 HydrophobicContact CD1-CB 3.82Å; I84-C160 HydrophobicContact CG1-CB 4.13Å
85S98.3Very high93.6Very high3 Ų389.8 Ų89.82%0.02147%0.471CS..SBendtrans-112.779.5168.848.50000107.6S83 W87 S125 C158 T159 C160S83-S85 PolarHBondContact O-N 2.87Å; S83-S85 PolarHBondContact OG-N 2.84Å; S83-S85 PolarHBondContact OG-O 2.82Å; S83-S85 PolarHBondContact OG-OG 3.19Å; S85-W87 VanDerWaalsContact O-CE3 3.27Å; S85-S125 WeakPolarHBondContact CA-OG 3.38Å; S85-S125 WeakPolarHBondContact CB-OG 3.21Å; S85-C158 WeakPolarHBondContact O-CB 3.38Å; S85-C158 VanDerWaalsContact OG-C 3.3Å; S85-C158 PolarHBondContact OG-O 2.91Å; S85-T159 WeakPolarHBondContact OG-CA 3.46Å; S85-T159 PolarHBondContact OG-N 3.45Å; S85-C160 PolarHBondContact OG-N 2.97Å
86P98Very high94.3Very high17 Ų1785.7 Ų85.711%0.1145%0.446CS..  trans-68.1156.8-171.428.2-35.4000112G80 I84 S108 L109 L113G80-P86 VanDerWaalsContact O-CA 3.27Å; G80-P86 WeakPolarHBondContact O-CA 3.49Å; G80-P86 WeakPolarHBondContact O-CB 3.4Å; I84-P86 VanDerWaalsContact C-CD 3.49Å; I84-P86 VanDerWaalsContact O-CD 3.3Å; I84-P86 WeakPolarHBondContact O-CD 3.44Å; P86-S108 PolarHBondContact O-N 2.78Å; P86-L109 HydrophobicContact CG-CD1 3.75Å; P86-L109 HydrophobicContact CG-CG 3.95Å; P86-L113 HydrophobicContact CG-CD1 4.27Å
87W97.9Very high95Very high27 Ų2780.4 Ų80.410%0.10241%0.411CS..EExtended strand (participates in β ladder)trans-141.4153.4178.463.585.8000113I79 S83 S85 V105 K106 S108 C158I79-W87 HydrophobicContact CD1-CH2 4.07Å; I79-W87 HydrophobicContact CG1-CH2 3.71Å; I79-W87 HydrophobicContact CG1-CZ2 3.91Å; S83-W87 VanDerWaalsContact CB-CZ3 3.47Å; S83-W87 WeakPolarHBondContact OG-CZ3 3.32Å; S85-W87 VanDerWaalsContact O-CE3 3.27Å; W87-V105 HydrophobicContact CB-CB 4.12Å; W87-V105 HydrophobicContact CB-CG2 4.4Å; W87-V105 VanDerWaalsContact CD1-CG1 3.41Å; W87-V105 HydrophobicContact CG-CB 3.9Å; W87-V105 HydrophobicContact CG-CG1 4.21Å; W87-V105 HydrophobicContact CG-CG2 4.26Å; W87-K106 CarbonylContact C-O 3.55Å; W87-K106 WeakPolarHBondContact CA-O 3.3Å; W87-K106 VanDerWaalsContact CB-O 3.28Å; W87-K106 WeakPolarHBondContact CB-O 3.47Å; W87-S108 WeakPolarHBondContact CA-OG 3.49Å; W87-C158 HydrophobicContact CB-CB 4.38Å; W87-C158 HydrophobicContact CE3-CB 3.9Å; W87-C158 WeakPolarHBondContact CZ3-O 3.27Å
88T96.5Very high95.4Very high82 Ų8273.3 Ų73.350%0.50339%0.387SS..EExtended strand (participates in β ladder)trans-100.5155.3165.954.20000109.9V105 K106 S108T88-V105 CarbonylContact O-C 3.6Å; T88-V105 VanDerWaalsContact O-CA 3.25Å; T88-V105 WeakPolarHBondContact O-CA 3.4Å; T88-K106 PolarHBondContact N-O 2.68Å; T88-K106 PolarHBondContact O-N 2.71Å; T88-S108 PolarHBondContact N-OG 2.97Å
89T95.6Very high95.8Very high80 Ų8071.9 Ų71.949%0.49138%0.375SS..EExtended strand (participates in β ladder)trans-102.8134.5176.6-560000109.4E104T89-E104 CarbonylContact C-O 3.55Å
90N95.5Very high95.8Very high100 Ų10069.9 Ų69.954%0.53537%0.366SS..EExtended strand (participates in β ladder)trans-116.4120172.1-176.71.5000109S103 E104N90-S103 CarbonylContact O-C 3.53Å; N90-S103 WeakPolarHBondContact O-CA 3.1Å; N90-E104 PolarHBondContact N-O 2.92Å; N90-E104 PolarHBondContact O-N 2.77Å
91T96.2Very high95.8Very high79 Ų7973 Ų7349%0.48539%0.385SS..EExtended strand (participates in β ladder)trans-104.5123.8-179.2-61.60000109.8T101 S103T91-T101 HydrophobicContact CG2-CG2 3.27Å; T91-S103 PolarHBondContact OG1-OG 2.83Å
92T96.4Very high95.9Very high47 Ų4766.9 Ų66.929%0.28835%0.352SS..EExtended strand (participates in β ladder)trans-109.3140.7179.163.70000110.6T101 I102T92-T101 WeakPolarHBondContact O-CA 3.5Å; T92-I102 PolarHBondContact N-O 3.07Å; T92-I102 PolarHBondContact O-N 3.37Å; T92-I102 PolarHBondContact OG1-O 3.13Å
93Y97.4Very high95.9Very high139 Ų13961.8 Ų61.855%0.54534%0.335SS..EExtended strand (participates in β ladder)trans-114.4135.3175.2-179.7-102000110.1E95 N100Y93-E95 HydrophobicContact CD1-CG 4.19Å; Y93-E95 HydrophobicContact CE1-CB 4.47Å; Y93-E95 HydrophobicContact CE1-CG 3.25Å; Y93-N100 WeakPolarHBondContact CA-O 3.42Å; Y93-N100 HydrophobicContact CD2-CB 4.1Å; Y93-N100 HydrophobicContact CE2-CB 3.72Å
94D96.2Very high95.9Very high41 Ų4163 Ų6322%0.21934%0.338CS..  trans-145107.7-179.8176.3-6000109.4S96 R97 N100 R136D94-S96 PolarHBondContact O-N 2.99Å; D94-S96 WeakPolarHBondContact OD1-CA 3.46Å; D94-S96 PolarHBondContact OD1-N 3.1Å; D94-S96 PolarHBondContact OD1-OG 2.71Å; D94-R97 HydrophobicContact CB-CB 4Å; D94-R97 PolarHBondContact O-N 2.95Å; D94-R97 VanDerWaalsContact O-N 3.1Å; D94-R97 IonicContact OD2-NH1 3.2Å; D94-N100 PolarHBondContact N-O 3.31Å; D94-N100 WeakPolarHBondContact O-CA 3.34Å; D94-N100 WeakPolarHBondContact O-CB 3.28Å; D94-R136 IonicContact OD1-NH1 2.71Å; D94-R136 PolarHBondContact OD1-NH1 3.12Å; D94-R136 IonicContact OD2-CZ 2.78Å; D94-R136 IonicContact OD2-NH1 3.2Å; D94-R136 PolarHBondContact OD2-NH1 2.65Å; D94-R136 IonicContact OD2-NH2 3.64Å; D94-R136 PolarHBondContact OD2-NH2 2.59Å
95E94.9Very high95.8Very high157 Ų15759.3 Ų59.373%0.73432%0.32SS*.THydrogen-bonded Turntrans-63.7-22.7-177.7-63.1-169.616300113.6Y93 R97Y93-E95 HydrophobicContact CD1-CG 4.19Å; Y93-E95 HydrophobicContact CE1-CB 4.47Å; Y93-E95 HydrophobicContact CE1-CG 3.25Å; E95-R97 VanDerWaalsContact C-N 3.26Å
96S94.4Very high95.8Very high49 Ų4966.2 Ų66.234%0.34335%0.35SS..THydrogen-bonded Turntrans-90.710.6179.761.70000112.4D94 R136 K137D94-S96 PolarHBondContact O-N 2.99Å; D94-S96 WeakPolarHBondContact OD1-CA 3.46Å; D94-S96 PolarHBondContact OD1-N 3.1Å; D94-S96 PolarHBondContact OD1-OG 2.71Å; S96-R136 WeakPolarHBondContact O-CD 3.43Å; S96-R136 PolarHBondContact O-NH1 2.02Å; S96-R136 PolarHBondContact OG-NH1 3.03Å; S96-K137 WeakPolarHBondContact O-CB 3.47Å; S96-K137 PolarHBondContact O-N 2.85Å
97R94.7Very high95.8Very high21 Ų2166.6 Ų66.68%0.07935%0.353CS..EExtended strand (participates in β ladder)trans-124.4148.5-178.9-162.8176.355.3-144.5-0.8112.5D94 E95 P99 N100 I102 V134 L135 R136D94-R97 HydrophobicContact CB-CB 4Å; D94-R97 PolarHBondContact O-N 2.95Å; D94-R97 VanDerWaalsContact O-N 3.1Å; D94-R97 IonicContact OD2-NH1 3.2Å; E95-R97 VanDerWaalsContact C-N 3.26Å; R97-P99 WeakPolarHBondContact CG-O 3.47Å; R97-P99 PolarHBondContact NE-O 3.21Å; R97-P99 CarbonylContact O-C 3.6Å; R97-N100 PolarHBondContact NH2-O 3Å; R97-N100 WeakPolarHBondContact O-CA 3.42Å; R97-N100 WeakPolarHBondContact O-CB 3.47Å; R97-N100 PolarHBondContact O-N 3.09Å; R97-I102 VanDerWaalsContact NE-CD1 3.31Å; R97-V134 HydrophobicContact CG-CB 3.95Å; R97-V134 HydrophobicContact CG-CG1 4.48Å; R97-V134 HydrophobicContact CG-CG2 4.34Å; R97-L135 CarbonylContact C-O 3.58Å; R97-L135 VanDerWaalsContact CA-O 3.28Å; R97-L135 WeakPolarHBondContact CA-O 3.41Å; R97-R136 VanDerWaalsContact CD-NH2 3.31Å
98F92.3Very high95.8Very high78 Ų7868.2 Ų68.234%0.34237%0.368SS..EExtended strand (participates in β ladder)trans-120.8128.9158.5-176.8-88.2000110.7L65 V134 L135L65-F98 HydrophobicContact CD1-CD1 4.31Å; L65-F98 HydrophobicContact CD1-CD2 4.45Å; L65-F98 HydrophobicContact CD1-CE1 4.29Å; L65-F98 HydrophobicContact CD1-CE2 4.42Å; L65-F98 HydrophobicContact CD1-CG 4.38Å; L65-F98 HydrophobicContact CD1-CZ 4.34Å; L65-F98 HydrophobicContact CD2-CE1 4.31Å; F98-V134 WeakPolarHBondContact O-CA 3.49Å; F98-L135 HydrophobicContact CB-CB 4.18Å; F98-L135 HydrophobicContact CB-CD1 4.5Å; F98-L135 HydrophobicContact CD1-CD1 4.12Å; F98-L135 PolarHBondContact N-O 2.93Å; F98-L135 PolarHBondContact O-N 3.4Å
99P92.5Very high95.8Very high53 Ų5366.7 Ų66.734%0.34436%0.357SS..SBendcis-64142.9-10.129.1-34.6000111R97 T101 I102R97-P99 WeakPolarHBondContact CG-O 3.47Å; R97-P99 PolarHBondContact NE-O 3.21Å; R97-P99 CarbonylContact O-C 3.6Å; P99-T101 VanDerWaalsContact C-N 3.33Å; P99-I102 HydrophobicContact CG-CG1 4.19Å
100N95Very high95.9Very high69 Ų6969.4 Ų69.437%0.36936%0.364SS..SBendtrans-67.8-37-179.246.614.9000111.1Y93 D94 R97Y93-N100 WeakPolarHBondContact CA-O 3.42Å; Y93-N100 HydrophobicContact CD2-CB 4.1Å; Y93-N100 HydrophobicContact CE2-CB 3.72Å; D94-N100 PolarHBondContact N-O 3.31Å; D94-N100 WeakPolarHBondContact O-CA 3.34Å; D94-N100 WeakPolarHBondContact O-CB 3.28Å; R97-N100 PolarHBondContact NH2-O 3Å; R97-N100 WeakPolarHBondContact O-CA 3.42Å; R97-N100 WeakPolarHBondContact O-CB 3.47Å; R97-N100 PolarHBondContact O-N 3.09Å
101T95.1Very high96Very high65 Ų6564.7 Ų64.740%0.39934%0.339SS..EExtended strand (participates in β ladder)trans-98.2127.3176.1-55.90000111.4T91 T92 P99T91-T101 HydrophobicContact CG2-CG2 3.27Å; T92-T101 WeakPolarHBondContact O-CA 3.5Å; P99-T101 VanDerWaalsContact C-N 3.33Å
102I96.1Very high96.2Very high10 Ų1061 Ų615%0.05132%0.316CS..EExtended strand (participates in β ladder)trans-132131171.8-66.8178.8000108.8T92 R97 P99 E104 I132 V134 K152 I154T92-I102 PolarHBondContact N-O 3.07Å; T92-I102 PolarHBondContact O-N 3.37Å; T92-I102 PolarHBondContact OG1-O 3.13Å; R97-I102 VanDerWaalsContact NE-CD1 3.31Å; P99-I102 HydrophobicContact CG-CG1 4.19Å; I102-E104 HydrophobicContact CG2-CG 4.15Å; I102-I132 HydrophobicContact CD1-CD1 3.75Å; I102-I132 HydrophobicContact CG1-CD1 4.46Å; I102-I132 HydrophobicContact CG2-CD1 4.5Å; I102-V134 HydrophobicContact CD1-CG1 3.84Å; I102-K152 HydrophobicContact CD1-CD 3.98Å; I102-I154 HydrophobicContact CG2-CG2 3.88Å
103S95.2Very high96.3Very high60 Ų6061.3 Ų61.342%0.4232%0.316SS..EExtended strand (participates in β ladder)trans-102.2126.1173.9-60.90000110.5N90 T91N90-S103 CarbonylContact O-C 3.53Å; N90-S103 WeakPolarHBondContact O-CA 3.1Å; T91-S103 PolarHBondContact OG1-OG 2.83Å
104E96.9Very high96.2Very high49 Ų4957.7 Ų57.723%0.22931%0.306CS..EExtended strand (participates in β ladder)trans-117.6151.6174.4-55-167.5-132.500109.4T89 N90 I102 K152 I154 A155T89-E104 CarbonylContact C-O 3.55Å; N90-E104 PolarHBondContact N-O 2.92Å; N90-E104 PolarHBondContact O-N 2.77Å; I102-E104 HydrophobicContact CG2-CG 4.15Å; E104-K152 WeakPolarHBondContact OE1-CE 3.43Å; E104-K152 IonicContact OE1-NZ 2.99Å; E104-K152 PolarHBondContact OE1-NZ 2.92Å; E104-K152 IonicContact OE2-NZ 2.78Å; E104-I154 HydrophobicContact CG-CB 3.97Å; E104-I154 HydrophobicContact CG-CG2 3.9Å; E104-I154 WeakPolarHBondContact OE2-CA 3.42Å; E104-A155 WeakPolarHBondContact CA-O 3.34Å
105V96.7Very high96.3Very high19 Ų1963.4 Ų63.412%0.11534%0.342CS..EExtended strand (participates in β ladder)trans-101.4152.8178.5-49.70000112.3W87 T88 A155 G157W87-V105 HydrophobicContact CB-CB 4.12Å; W87-V105 HydrophobicContact CB-CG2 4.4Å; W87-V105 VanDerWaalsContact CD1-CG1 3.41Å; W87-V105 HydrophobicContact CG-CB 3.9Å; W87-V105 HydrophobicContact CG-CG1 4.21Å; W87-V105 HydrophobicContact CG-CG2 4.26Å; T88-V105 CarbonylContact O-C 3.6Å; T88-V105 VanDerWaalsContact O-CA 3.25Å; T88-V105 WeakPolarHBondContact O-CA 3.4Å; V105-A155 HydrophobicContact CG2-CB 3.93Å; V105-A155 PolarHBondContact N-O 3.43Å; V105-A155 VanDerWaalsContact O-CB 3.31Å; V105-A155 WeakPolarHBondContact O-CB 3.26Å; V105-G157 VanDerWaalsContact CG2-N 3.26Å
106K97.8Very high96.4Very high149 Ų14959.4 Ų59.465%0.64834%0.336SS*.EExtended strand (participates in β ladder)trans-127.4128.2170.6-176.8178.8177.5-179.10109.4W87 T88 S108W87-K106 CarbonylContact C-O 3.55Å; W87-K106 WeakPolarHBondContact CA-O 3.3Å; W87-K106 VanDerWaalsContact CB-O 3.28Å; W87-K106 WeakPolarHBondContact CB-O 3.47Å; T88-K106 PolarHBondContact N-O 2.68Å; T88-K106 PolarHBondContact O-N 2.71Å; K106-S108 PolarHBondContact O-N 2.79Å
107C98.2Very high96.4Very high24 Ų2459.5 Ų59.516%0.16235%0.345CS..EExtended strand (participates in β ladder)trans-61.8132.9176.1-46.50000109.6C158C107-C158 WeakPolarHBondContact CA-SG 3.37Å; C107-C158 HydrophobicContact CB-CB 3.97Å; C107-C158 WeakPolarHBondContact CB-SG 3.35Å; C107-C158 PolarHBondContact N-SG 2.73Å; C107-C158 WeakPolarHBondContact SG-CB 3.19Å; C107-C158 CovalentContact SG-SG 2.04Å; C107-C158 PolarHBondContact SG-SG 2.73Å
108S97.8Very high96.6Very high62 Ų6265.5 Ų65.543%0.43437%0.371SS..SBendtrans-84.8-19.4-175.2-550000112.8P86 W87 T88 K106P86-S108 PolarHBondContact O-N 2.78Å; W87-S108 WeakPolarHBondContact CA-OG 3.49Å; T88-S108 PolarHBondContact N-OG 2.97Å; K106-S108 PolarHBondContact O-N 2.79Å
109L97.9Very high96.9Very high49 Ų4964.8 Ų64.826%0.25737%0.369SS..  trans-124.2158.2-179.1-62179.6000110.1P86 G111 L113 S125P86-L109 HydrophobicContact CG-CD1 3.75Å; P86-L109 HydrophobicContact CG-CG 3.95Å; L109-G111 WeakPolarHBondContact CB-O 3.15Å; L109-L113 HydrophobicContact CD1-CD2 3.58Å; L109-L113 HydrophobicContact CD1-CG 3.79Å; L109-S125 VanDerWaalsContact O-CB 3.26Å; L109-S125 WeakPolarHBondContact O-CB 2.95Å
110E97.7Very high97.1Very high138 Ų13864.9 Ų64.965%0.64537%0.366SS*.SBendtrans-84.9-42.5170.4-68.6178.2167.800109.9E119 R121 E124 S125E110-E119 PolarHBondContact N-OE1 2.89Å; E110-E119 VanDerWaalsContact N-OE1 3.09Å; E110-R121 IonicContact OE2-CZ 3.89Å; E110-R121 IonicContact OE2-NH1 3.49Å; E110-R121 PolarHBondContact OE2-NH1 2.93Å; E110-R121 IonicContact OE2-NH2 3.95Å; E110-E124 CarbonylContact O-C 3.6Å; E110-E124 WeakPolarHBondContact O-CA 3.44Å; E110-S125 PolarHBondContact O-N 2.96Å
111G97.8Very high97.2Very high1 Ų169.5 Ų69.51%0.0138%0.379CS..SBendtrans-91.4-160.9172.900000113.1L109 E119 D120 L123 S125L109-G111 WeakPolarHBondContact CB-O 3.15Å; G111-E119 PolarHBondContact N-OE1 2.85Å; G111-D120 WeakPolarHBondContact CA-O 3.49Å; G111-L123 WeakPolarHBondContact CA-O 3.22Å; G111-S125 WeakPolarHBondContact O-CB 3.27Å; G111-S125 PolarHBondContact O-OG 3.2Å
112C98.4Very high97.2Very high1 Ų169.9 Ų69.91%0.00738%0.384CS..EExtended strand (participates in β ladder)trans-122.9155177.3-49.70000111.3I84 E119 D120 L123 C160I84-C112 CarbonylContact O-C 3.52Å; I84-C112 WeakPolarHBondContact O-CA 3.33Å; C112-E119 CarbonylContact O-C 3.47Å; C112-E119 WeakPolarHBondContact O-CA 3.4Å; C112-D120 PolarHBondContact N-O 3.21Å; C112-D120 PolarHBondContact O-N 3.23Å; C112-L123 HydrophobicContact CB-CB 4.25Å; C112-L123 HydrophobicContact CB-CD1 4.37Å; C112-C160 HydrophobicContact CB-CB 3.94Å; C112-C160 WeakPolarHBondContact CB-SG 3.48Å; C112-C160 VanDerWaalsContact SG-CA 3.51Å; C112-C160 WeakPolarHBondContact SG-CB 3.46Å; C112-C160 CovalentContact SG-SG 2.02Å; C112-C160 PolarHBondContact SG-SG 3.1Å
113L98.5Very high97.3Very high53 Ų5371.7 Ų71.728%0.27739%0.394SS..EExtended strand (participates in β ladder)trans-74.3129.6174-62.2175.7000110.8I84 P86 L109 K118I84-L113 HydrophobicContact CB-CB 4.46Å; I84-L113 PolarHBondContact O-N 2.73Å; P86-L113 HydrophobicContact CG-CD1 4.27Å; L109-L113 HydrophobicContact CD1-CD2 3.58Å; L109-L113 HydrophobicContact CD1-CG 3.79Å; L113-K118 WeakPolarHBondContact CA-O 3.31Å
114N97.3Very high97.4Very high64 Ų6471.6 Ų71.634%0.34239%0.387SS..  trans-83.2179.9168.267.126.7000111.7A116 G117 K118N114-A116 PolarHBondContact O-N 2.86Å; N114-A116 VanDerWaalsContact O-N 3.1Å; N114-A116 WeakPolarHBondContact OD1-CA 3.46Å; N114-A116 WeakPolarHBondContact OD1-CB 3.42Å; N114-A116 PolarHBondContact OD1-N 2.85Å; N114-G117 PolarHBondContact O-N 3.43Å; N114-G117 PolarHBondContact OD1-N 2.87Å; N114-K118 VanDerWaalsContact CG-O 3.23Å; N114-K118 PolarHBondContact N-O 3.43Å; N114-K118 PolarHBondContact ND2-O 3.03Å; N114-K118 PolarHBondContact OD1-N 2.9Å; N114-K118 PolarHBondContact OD1-O 3.49Å
115V96.6Very high97.5Very high161 Ų16169.8 Ų69.898%0.97638%0.379SS*.THydrogen-bonded Turntrans-59.6-22.2-179.8-62.30000114.4G117V115-G117 VanDerWaalsContact C-N 3.33Å
116A96.9Very high97.6Very high73 Ų7373 Ų7360%0.60339%0.392SS*.THydrogen-bonded Turntrans-90.42.7176.200000112.8N114 K118N114-A116 PolarHBondContact O-N 2.86Å; N114-A116 VanDerWaalsContact O-N 3.1Å; N114-A116 WeakPolarHBondContact OD1-CA 3.46Å; N114-A116 WeakPolarHBondContact OD1-CB 3.42Å; N114-A116 PolarHBondContact OD1-N 2.85Å; A116-K118 VanDerWaalsContact C-N 3.3Å; A116-K118 PolarHBondContact O-N 3.3Å
117G96.2Very high97.6Very high51 Ų5167.7 Ų67.753%0.52637%0.373SS..SBendtrans73.118.5-177.200000114.1N114 V115N114-G117 PolarHBondContact O-N 3.43Å; N114-G117 PolarHBondContact OD1-N 2.87Å; V115-G117 VanDerWaalsContact C-N 3.33Å
118K97.7Very high97.6Very high146 Ų14670.5 Ų70.564%0.63539%0.385SS*.  trans-97.2145.6174.9-62.7-174.9179.7-176.70110.4L113 N114 A116 D120L113-K118 WeakPolarHBondContact CA-O 3.31Å; N114-K118 VanDerWaalsContact CG-O 3.23Å; N114-K118 PolarHBondContact N-O 3.43Å; N114-K118 PolarHBondContact ND2-O 3.03Å; N114-K118 PolarHBondContact OD1-N 2.9Å; N114-K118 PolarHBondContact OD1-O 3.49Å; A116-K118 VanDerWaalsContact C-N 3.3Å; A116-K118 PolarHBondContact O-N 3.3Å; K118-D120 PolarHBondContact O-N 2.04Å
119E98.1Very high97.6Very high64 Ų6474.9 Ų74.930%0.29939%0.393SS..EExtended strand (participates in β ladder)trans-67.1120.7174.2-171.9-177.3-145.100110.3E110 G111 C112 R121E110-E119 PolarHBondContact N-OE1 2.89Å; E110-E119 VanDerWaalsContact N-OE1 3.09Å; G111-E119 PolarHBondContact N-OE1 2.85Å; C112-E119 CarbonylContact O-C 3.47Å; C112-E119 WeakPolarHBondContact O-CA 3.4Å; E119-R121 HydrophobicContact CG-CG 4.15Å; E119-R121 IonicContact OE2-CZ 3.51Å; E119-R121 IonicContact OE2-NE 3.08Å; E119-R121 PolarHBondContact OE2-NE 2.93Å; E119-R121 VanDerWaalsContact OE2-NE 3.08Å; E119-R121 IonicContact OE2-NH2 3.03Å; E119-R121 PolarHBondContact OE2-NH2 2.75Å
120D97.7Very high97.6Very high54 Ų5477.7 Ų77.729%0.28941%0.405SS..EExtended strand (participates in β ladder)trans-98.7112.6168.4-179.92.3000108.9G111 C112 K118 S122G111-D120 WeakPolarHBondContact CA-O 3.49Å; C112-D120 PolarHBondContact N-O 3.21Å; C112-D120 PolarHBondContact O-N 3.23Å; K118-D120 PolarHBondContact O-N 2.04Å; D120-S122 VanDerWaalsContact C-N 3.34Å; D120-S122 VanDerWaalsContact OD1-CB 3.27Å; D120-S122 WeakPolarHBondContact OD1-CB 3.5Å; D120-S122 PolarHBondContact OD1-N 2.84Å; D120-S122 PolarHBondContact OD1-OG 2.79Å; D120-S122 PolarHBondContact OD2-OG 3.25Å; D120-S122 VanDerWaalsContact OD2-OG 3.12Å
121R96.6Very high97.6Very high166 Ų16676.9 Ų76.963%0.62640%0.401SS*.THydrogen-bonded Turntrans-904.1-179-64-176.7173.1-136.9-10.4113.5E110 E119E110-R121 IonicContact OE2-CZ 3.89Å; E110-R121 IonicContact OE2-NH1 3.49Å; E110-R121 PolarHBondContact OE2-NH1 2.93Å; E110-R121 IonicContact OE2-NH2 3.95Å; E119-R121 HydrophobicContact CG-CG 4.15Å; E119-R121 IonicContact OE2-CZ 3.51Å; E119-R121 IonicContact OE2-NE 3.08Å; E119-R121 PolarHBondContact OE2-NE 2.93Å; E119-R121 VanDerWaalsContact OE2-NE 3.08Å; E119-R121 IonicContact OE2-NH2 3.03Å; E119-R121 PolarHBondContact OE2-NH2 2.75Å
122S95.6Very high97.5Very high74 Ų7478.7 Ų78.752%0.51741%0.41SS..THydrogen-bonded Turntrans-76.3-9.6166.873.70000112.6D120 P163D120-S122 VanDerWaalsContact C-N 3.34Å; D120-S122 VanDerWaalsContact OD1-CB 3.27Å; D120-S122 WeakPolarHBondContact OD1-CB 3.5Å; D120-S122 PolarHBondContact OD1-N 2.84Å; D120-S122 PolarHBondContact OD1-OG 2.79Å; D120-S122 PolarHBondContact OD2-OG 3.25Å; D120-S122 VanDerWaalsContact OD2-OG 3.12Å; S122-P163 WeakPolarHBondContact O-CD 3.44Å; S122-P163 VanDerWaalsContact O-CG 3.28Å; S122-P163 WeakPolarHBondContact O-CG 3.43Å
123L97.3Very high97.4Very high48 Ų4883.9 Ų83.925%0.25144%0.437SS..SBendtrans-117.9167173.7-59.6172.3000109.6G111 C112 V161 R162G111-L123 WeakPolarHBondContact CA-O 3.22Å; C112-L123 HydrophobicContact CB-CB 4.25Å; C112-L123 HydrophobicContact CB-CD1 4.37Å; L123-V161 WeakPolarHBondContact CA-O 3.3Å; L123-R162 HydrophobicContact CD2-CG 4.05Å
124E98.1Very high97.3Very high58 Ų5881.6 Ų81.627%0.27143%0.426SS..EExtended strand (participates in β ladder)trans-126.1132.6178.7-58-174.4109.500111.6E110 K126 C160 V161 P163E110-E124 CarbonylContact O-C 3.6Å; E110-E124 WeakPolarHBondContact O-CA 3.44Å; E124-K126 HydrophobicContact CB-CD 4.36Å; E124-K126 HydrophobicContact CB-CG 4.27Å; E124-K126 PolarHBondContact O-N 2.82Å; E124-K126 IonicContact OE1-NZ 4Å; E124-K126 PolarHBondContact OE1-NZ 2.78Å; E124-K126 WeakPolarHBondContact OE2-CE 3.42Å; E124-K126 IonicContact OE2-NZ 3.8Å; E124-K126 PolarHBondContact OE2-NZ 2.85Å; E124-C160 WeakPolarHBondContact O-CA 3.27Å; E124-V161 HydrophobicContact CB-CG2 4.04Å; E124-V161 PolarHBondContact N-O 3.34Å; E124-V161 PolarHBondContact O-N 2.88Å; E124-P163 HydrophobicContact CG-CG 4.21Å
125S98.4Very high97.2Very high11 Ų1179.9 Ų79.98%0.07742%0.416CS..EExtended strand (participates in β ladder)trans-78.2114.7163.7-81.50000109.5S85 L109 E110 G111 T159S85-S125 WeakPolarHBondContact CA-OG 3.38Å; S85-S125 WeakPolarHBondContact CB-OG 3.21Å; L109-S125 VanDerWaalsContact O-CB 3.26Å; L109-S125 WeakPolarHBondContact O-CB 2.95Å; E110-S125 PolarHBondContact O-N 2.96Å; G111-S125 WeakPolarHBondContact O-CB 3.27Å; G111-S125 PolarHBondContact O-OG 3.2Å; S125-T159 WeakPolarHBondContact CA-O 3.47Å
126K98.2Very high97.2Very high85 Ų8574.1 Ų74.137%0.3738%0.377SS..EExtended strand (participates in β ladder)trans-119.2140.6177.6-63-61.8-172-163.10111.5E124 C158 T159 V161E124-K126 HydrophobicContact CB-CD 4.36Å; E124-K126 HydrophobicContact CB-CG 4.27Å; E124-K126 PolarHBondContact O-N 2.82Å; E124-K126 IonicContact OE1-NZ 4Å; E124-K126 PolarHBondContact OE1-NZ 2.78Å; E124-K126 WeakPolarHBondContact OE2-CE 3.42Å; E124-K126 IonicContact OE2-NZ 3.8Å; E124-K126 PolarHBondContact OE2-NZ 2.85Å; K126-C158 CarbonylContact O-C 3.52Å; K126-C158 VanDerWaalsContact O-CA 3.31Å; K126-C158 WeakPolarHBondContact O-CA 3.45Å; K126-T159 PolarHBondContact N-O 3.08Å; K126-T159 PolarHBondContact O-N 3.03Å; K126-V161 HydrophobicContact CB-CG2 4.37Å; K126-V161 HydrophobicContact CG-CG2 3.59Å
127P98.1Very high97Very high39 Ų3974.5 Ų74.525%0.25337%0.365SS..EExtended strand (participates in β ladder)trans-68.7142.3174.529.1-34.1000110.8Y129 A155 G157P127-Y129 HydrophobicContact CB-CE1 4.32Å; P127-Y129 HydrophobicContact CB-CE2 4.36Å; P127-Y129 HydrophobicContact CG-CE1 4.22Å; P127-Y129 HydrophobicContact CG-CE2 3.71Å; P127-Y129 VanDerWaalsContact CG-CZ 3.48Å; P127-Y129 VanDerWaalsContact CG-OH 3.27Å; P127-Y129 WeakPolarHBondContact CG-OH 3.31Å; P127-A155 HydrophobicContact CB-CB 4.03Å; P127-G157 CarbonylContact C-O 3.57Å; P127-G157 WeakPolarHBondContact CA-O 3.28Å
128I98.3Very high96.7Very high82 Ų8273.5 Ų73.542%0.42135%0.349SS..EExtended strand (participates in β ladder)trans-91.5120.1167-56.1175.4000107.4A155 V156 G157 T159I128-A155 WeakPolarHBondContact O-CA 3.44Å; I128-V156 HydrophobicContact CB-CG2 4.37Å; I128-V156 HydrophobicContact CG2-CG2 4.2Å; I128-V156 PolarHBondContact O-N 3.19Å; I128-G157 PolarHBondContact N-O 2.94Å; I128-T159 HydrophobicContact CD1-CG2 4.32Å; I128-T159 HydrophobicContact CG1-CG2 3.9Å
129Y98.3Very high96.2Very high154 Ų15473 Ų7360%0.60435%0.35SS*.EExtended strand (participates in β ladder)trans-93.1143178.8-65.4-68.8000112P127 I153 I154 A155P127-Y129 HydrophobicContact CB-CE1 4.32Å; P127-Y129 HydrophobicContact CB-CE2 4.36Å; P127-Y129 HydrophobicContact CG-CE1 4.22Å; P127-Y129 HydrophobicContact CG-CE2 3.71Å; P127-Y129 VanDerWaalsContact CG-CZ 3.48Å; P127-Y129 VanDerWaalsContact CG-OH 3.27Å; P127-Y129 WeakPolarHBondContact CG-OH 3.31Å; Y129-I153 HydrophobicContact CD1-CG2 3.74Å; Y129-I153 HydrophobicContact CG-CG2 4.02Å; Y129-I154 CarbonylContact C-O 3.53Å; Y129-I154 WeakPolarHBondContact CA-O 3.41Å; Y129-A155 HydrophobicContact CD1-CB 4.25Å; Y129-A155 HydrophobicContact CE1-CB 4.16Å
130H97.5Very high95.3Very high109 Ų10970.8 Ų70.851%0.50535%0.345SS..EExtended strand (participates in β ladder)trans-133.4140.6171.7-171.463.9000109.9I153 I154 V156H130-I153 WeakPolarHBondContact O-CA 3.12Å; H130-I154 PolarHBondContact N-O 3.31Å; H130-I154 WeakPolarHBondContact O-CG1 3.06Å; H130-I154 PolarHBondContact O-N 3.22Å; H130-V156 HydrophobicContact CB-CG1 3.79Å; H130-V156 HydrophobicContact CB-CG2 4.21Å
131Q97.9Very high94.5Very high121 Ų12171.7 Ų71.757%0.56536%0.355SS*.EExtended strand (participates in β ladder)trans-92.8123.3174.7-176.7178.2-5600109.6A151 K152Q131-A151 HydrophobicContact CG-CB 3.99Å; Q131-K152 WeakPolarHBondContact CA-O 3.22Å
132I96.7Very high93.7Very high38 Ų3872.4 Ų72.420%0.19536%0.363CS..EExtended strand (participates in β ladder)trans-112.7159.5174.560.1163.9000110.7I102 V134 A151 K152 I154I102-I132 HydrophobicContact CD1-CD1 3.75Å; I102-I132 HydrophobicContact CG1-CD1 4.46Å; I102-I132 HydrophobicContact CG2-CD1 4.5Å; I132-V134 HydrophobicContact CD1-CG1 3.95Å; I132-V134 HydrophobicContact CG1-CG1 4.27Å; I132-A151 WeakPolarHBondContact O-CA 3.5Å; I132-K152 HydrophobicContact CG1-CB 4.16Å; I132-K152 WeakPolarHBondContact CG1-O 2.95Å; I132-K152 PolarHBondContact N-O 3.23Å; I132-K152 PolarHBondContact O-N 3.48Å; I132-I154 HydrophobicContact CD1-CD1 4.05Å; I132-I154 HydrophobicContact CD1-CG1 4.48Å; I132-I154 HydrophobicContact CD1-CG2 4.05Å; I132-I154 HydrophobicContact CG1-CD1 4.37Å; I132-I154 HydrophobicContact CG1-CG1 4.39Å; I132-I154 HydrophobicContact CG1-CG2 4.27Å; I132-I154 HydrophobicContact CG2-CD1 3.89Å; I132-I154 HydrophobicContact CG2-CG1 4.2Å
133L96.4Very high92.5Very high111 Ų11175.6 Ų75.658%0.58137%0.374SS*.EExtended strand (participates in β ladder)trans-95.3136.7170.6-65.8177.2000110L149 E150L133-L149 HydrophobicContact CB-CD1 4.02Å; L133-L149 HydrophobicContact CD1-CD1 4.4Å; L133-L149 HydrophobicContact CD1-CD2 4.48Å; L133-L149 HydrophobicContact CD2-CD1 4.33Å; L133-L149 HydrophobicContact CD2-CD2 4.44Å; L133-L149 HydrophobicContact CD2-CG 4.31Å; L133-L149 HydrophobicContact CG-CD1 4.48Å; L133-E150 WeakPolarHBondContact CA-O 3.06Å
134V96.3Very high91.8Very high5 Ų581.8 Ų81.83%0.0339%0.394CS..EExtended strand (participates in β ladder)trans-132.2152176.1-56.60000109.7R97 F98 I102 I132 E150 K152R97-V134 HydrophobicContact CG-CB 3.95Å; R97-V134 HydrophobicContact CG-CG1 4.48Å; R97-V134 HydrophobicContact CG-CG2 4.34Å; F98-V134 WeakPolarHBondContact O-CA 3.49Å; I102-V134 HydrophobicContact CD1-CG1 3.84Å; I132-V134 HydrophobicContact CD1-CG1 3.95Å; I132-V134 HydrophobicContact CG1-CG1 4.27Å; V134-E150 HydrophobicContact CG2-CB 3.84Å; V134-E150 PolarHBondContact N-O 3.04Å; V134-E150 PolarHBondContact O-N 3.38Å; V134-K152 HydrophobicContact CG1-CB 4.23Å; V134-K152 HydrophobicContact CG2-CB 4.37Å
135L94.9Very high91.2Very high27 Ų2784.7 Ų84.714%0.14140%0.403CS..EExtended strand (participates in β ladder)trans-103.7122.1174.2-58.5171.3000109.3L63 L65 R97 F98 Y147 R148 L149L63-L135 HydrophobicContact CD2-CD1 3.34Å; L65-L135 HydrophobicContact CD1-CD1 4.38Å; R97-L135 CarbonylContact C-O 3.58Å; R97-L135 VanDerWaalsContact CA-O 3.28Å; R97-L135 WeakPolarHBondContact CA-O 3.41Å; F98-L135 HydrophobicContact CB-CB 4.18Å; F98-L135 HydrophobicContact CB-CD1 4.5Å; F98-L135 HydrophobicContact CD1-CD1 4.12Å; F98-L135 PolarHBondContact N-O 2.93Å; F98-L135 PolarHBondContact O-N 3.4Å; L135-Y147 HydrophobicContact CB-CD1 3.73Å; L135-Y147 HydrophobicContact CB-CG 4.23Å; L135-R148 CarbonylContact C-O 3.55Å; L135-R148 WeakPolarHBondContact CA-O 3.28Å; L135-L149 HydrophobicContact CD2-CB 4.43Å; L135-L149 HydrophobicContact CD2-CD1 3.71Å
136R95.6Very high90.6Very high41 Ų4188.6 Ų88.616%0.15542%0.417CS..EExtended strand (participates in β ladder)trans-96122.8176.7-178.154.840.8-167-1.3110.6D94 S96 R97 V138 Y147 R148 E150D94-R136 IonicContact OD1-NH1 2.71Å; D94-R136 PolarHBondContact OD1-NH1 3.12Å; D94-R136 IonicContact OD2-CZ 2.78Å; D94-R136 IonicContact OD2-NH1 3.2Å; D94-R136 PolarHBondContact OD2-NH1 2.65Å; D94-R136 IonicContact OD2-NH2 3.64Å; D94-R136 PolarHBondContact OD2-NH2 2.59Å; S96-R136 WeakPolarHBondContact O-CD 3.43Å; S96-R136 PolarHBondContact O-NH1 2.02Å; S96-R136 PolarHBondContact OG-NH1 3.03Å; R97-R136 VanDerWaalsContact CD-NH2 3.31Å; R136-V138 HydrophobicContact CG-CG2 4.18Å; R136-V138 PolarHBondContact O-N 3.06Å; R136-Y147 CarbonylContact O-C 3.57Å; R136-Y147 VanDerWaalsContact O-CA 3.3Å; R136-Y147 WeakPolarHBondContact O-CA 3.05Å; R136-R148 HydrophobicContact CB-CB 4.41Å; R136-R148 PolarHBondContact N-O 3.38Å; R136-R148 PolarHBondContact O-N 3.09Å; R136-E150 VanDerWaalsContact CB-CD 3.41Å; R136-E150 HydrophobicContact CB-CG 4.19Å; R136-E150 VanDerWaalsContact CB-OE1 3.32Å; R136-E150 WeakPolarHBondContact CB-OE1 3.4Å; R136-E150 WeakPolarHBondContact CB-OE2 2.98Å; R136-E150 WeakPolarHBondContact CG-OE1 3.48Å; R136-E150 IonicContact NE-OE2 2.73Å
137K92.9Very high90.3Very high81 Ų8190.3 Ų90.335%0.35242%0.422SS..EExtended strand (participates in β ladder)trans-70.7120.1171.4-171.7178.5178.2-178.20108.9S96 Y145 Y147S96-K137 WeakPolarHBondContact O-CB 3.47Å; S96-K137 PolarHBondContact O-N 2.85Å; K137-Y145 HydrophobicContact CD-CD1 4.21Å; K137-Y145 HydrophobicContact CD-CG 4.29Å; K137-Y145 HydrophobicContact CG-CD1 3.93Å; K137-Y145 HydrophobicContact CG-CG 4.1Å; K137-Y147 HydrophobicContact CB-CD1 4.37Å; K137-Y147 HydrophobicContact CB-CE1 3.94Å; K137-Y147 HydrophobicContact CG-CE1 4.48Å
138V90.9Very high90Very high30 Ų3094.3 Ų94.318%0.18243%0.432CS..EExtended strand (participates in β ladder)trans-117.5134.1177.9-174.40000108.9R136 G140 Y145 Y146 R148R136-V138 HydrophobicContact CG-CG2 4.18Å; R136-V138 PolarHBondContact O-N 3.06Å; V138-G140 PolarHBondContact O-N 2.85Å; V138-Y145 VanDerWaalsContact O-CA 3.3Å; V138-Y145 WeakPolarHBondContact O-CA 3.25Å; V138-Y146 HydrophobicContact CB-CD1 4.47Å; V138-Y146 HydrophobicContact CB-CD2 4.23Å; V138-Y146 HydrophobicContact CB-CE1 4.07Å; V138-Y146 HydrophobicContact CB-CE2 3.78Å; V138-Y146 HydrophobicContact CG1-CE1 3.92Å; V138-Y146 HydrophobicContact CG1-CE2 4.11Å; V138-Y146 WeakPolarHBondContact CG1-OH 3.36Å; V138-Y146 HydrophobicContact CG2-CE2 4.13Å; V138-Y146 PolarHBondContact N-O 2.88Å; V138-Y146 PolarHBondContact O-N 2.89Å; V138-R148 HydrophobicContact CG2-CB 4.04Å
139M87.1Confident89.8Confident134 Ų13495.7 Ų95.766%0.6644%0.44SS*.EExtended strand (participates in β ladder)trans-74121.2175-169.1164.766.500109.6Y145M139-Y145 HydrophobicContact CB-CD1 4.11Å; M139-Y145 HydrophobicContact CB-CE1 3.9Å; M139-Y145 HydrophobicContact CG-CD1 4.38Å; M139-Y145 HydrophobicContact CG-CE1 3.89Å; M139-Y145 HydrophobicContact SD-CE1 4.38Å
140G78.5Confident89.7Confident19 Ų1991.6 Ų91.620%0.19643%0.426CS..  trans-97.3-173.9171.800000111.8V138 R144V138-G140 PolarHBondContact O-N 2.85Å; G140-R144 VanDerWaalsContact CA-O 3.26Å; G140-R144 WeakPolarHBondContact CA-O 3.41Å; G140-R144 PolarHBondContact N-O 2.89Å
141S80.4Confident89.7Confident72 Ų7289.4 Ų89.450%0.50343%0.427SS..SBendtrans-67.2144.2174.768.60000111.8
142K80Confident89.6Confident182 Ų18286.1 Ų86.179%0.79141%0.41SS*.THydrogen-bonded Turntrans63.547.4173-51.1-179.3177.9-174.60114.6R144K142-R144 PolarHBondContact O-N 3.4Å
143D71.7Confident89.7Confident140 Ų14089.3 Ų89.375%0.74943%0.427SS*.THydrogen-bonded Turntrans57.419.8177.3-62.3-24.9000115.7
144R82Confident89.8Confident179 Ų17984.8 Ų84.868%0.67540%0.403SS*.  trans-95.1140.7172.3-58.1-167.4-51.1167.89.7109.5G140 K142G140-R144 VanDerWaalsContact CA-O 3.26Å; G140-R144 WeakPolarHBondContact CA-O 3.41Å; G140-R144 PolarHBondContact N-O 2.89Å; K142-R144 PolarHBondContact O-N 3.4Å
145Y84.4Confident89.8Confident119 Ų11984.8 Ų84.847%0.46740%0.404SS..EExtended strand (participates in β ladder)trans-108.8147173.8-56.3-87.2000109.9K137 V138 M139K137-Y145 HydrophobicContact CD-CD1 4.21Å; K137-Y145 HydrophobicContact CD-CG 4.29Å; K137-Y145 HydrophobicContact CG-CD1 3.93Å; K137-Y145 HydrophobicContact CG-CG 4.1Å; V138-Y145 VanDerWaalsContact O-CA 3.3Å; V138-Y145 WeakPolarHBondContact O-CA 3.25Å; M139-Y145 HydrophobicContact CB-CD1 4.11Å; M139-Y145 HydrophobicContact CB-CE1 3.9Å; M139-Y145 HydrophobicContact CG-CD1 4.38Å; M139-Y145 HydrophobicContact CG-CE1 3.89Å; M139-Y145 HydrophobicContact SD-CE1 4.38Å
146Y87.5Confident89.9Confident93 Ų9387 Ų8737%0.36542%0.418SS..EExtended strand (participates in β ladder)trans-123.5162.2166.164.6-90.6000109.3V138 R148V138-Y146 HydrophobicContact CB-CD1 4.47Å; V138-Y146 HydrophobicContact CB-CD2 4.23Å; V138-Y146 HydrophobicContact CB-CE1 4.07Å; V138-Y146 HydrophobicContact CB-CE2 3.78Å; V138-Y146 HydrophobicContact CG1-CE1 3.92Å; V138-Y146 HydrophobicContact CG1-CE2 4.11Å; V138-Y146 WeakPolarHBondContact CG1-OH 3.36Å; V138-Y146 HydrophobicContact CG2-CE2 4.13Å; V138-Y146 PolarHBondContact N-O 2.88Å; V138-Y146 PolarHBondContact O-N 2.89Å; Y146-R148 PolarHBondContact OH-NH2 3.49Å
147Y90.7Very high90Very high121 Ų12185.3 Ų85.348%0.47541%0.414SS..EExtended strand (participates in β ladder)trans-101.4135.6174.9-72.6-82000110.4L135 R136 K137L135-Y147 HydrophobicContact CB-CD1 3.73Å; L135-Y147 HydrophobicContact CB-CG 4.23Å; R136-Y147 CarbonylContact O-C 3.57Å; R136-Y147 VanDerWaalsContact O-CA 3.3Å; R136-Y147 WeakPolarHBondContact O-CA 3.05Å; K137-Y147 HydrophobicContact CB-CD1 4.37Å; K137-Y147 HydrophobicContact CB-CE1 3.94Å; K137-Y147 HydrophobicContact CG-CE1 4.48Å
148R92.6Very high90.3Very high123 Ų12381.9 Ų81.946%0.46440%0.4SS..EExtended strand (participates in β ladder)trans-105.9131.1170.3-176.4-179.4-58.7-178.72.9108.9L135 R136 V138 Y146 E150L135-R148 CarbonylContact C-O 3.55Å; L135-R148 WeakPolarHBondContact CA-O 3.28Å; R136-R148 HydrophobicContact CB-CB 4.41Å; R136-R148 PolarHBondContact N-O 3.38Å; R136-R148 PolarHBondContact O-N 3.09Å; V138-R148 HydrophobicContact CG2-CB 4.04Å; Y146-R148 PolarHBondContact OH-NH2 3.49Å; R148-E150 HydrophobicContact CG-CG 4.41Å
149L94.4Very high90.6Very high111 Ų11183.3 Ų83.358%0.58141%0.409SS*.EExtended strand (participates in β ladder)trans-75.4128.5172.9-171.567000109.6L133 L135L133-L149 HydrophobicContact CB-CD1 4.02Å; L133-L149 HydrophobicContact CD1-CD1 4.4Å; L133-L149 HydrophobicContact CD1-CD2 4.48Å; L133-L149 HydrophobicContact CD2-CD1 4.33Å; L133-L149 HydrophobicContact CD2-CD2 4.44Å; L133-L149 HydrophobicContact CD2-CG 4.31Å; L133-L149 HydrophobicContact CG-CD1 4.48Å; L135-L149 HydrophobicContact CD2-CB 4.43Å; L135-L149 HydrophobicContact CD2-CD1 3.71Å
150E95.6Very high91.1Very high68 Ų6878.3 Ų78.332%0.31839%0.387SS..EExtended strand (participates in β ladder)trans-130.5148.3179.9-66.7177.9174.100110.2L133 V134 R136 R148L133-E150 WeakPolarHBondContact CA-O 3.06Å; V134-E150 HydrophobicContact CG2-CB 3.84Å; V134-E150 PolarHBondContact N-O 3.04Å; V134-E150 PolarHBondContact O-N 3.38Å; R136-E150 VanDerWaalsContact CB-CD 3.41Å; R136-E150 HydrophobicContact CB-CG 4.19Å; R136-E150 VanDerWaalsContact CB-OE1 3.32Å; R136-E150 WeakPolarHBondContact CB-OE1 3.4Å; R136-E150 WeakPolarHBondContact CB-OE2 2.98Å; R136-E150 WeakPolarHBondContact CG-OE1 3.48Å; R136-E150 IonicContact NE-OE2 2.73Å; R148-E150 HydrophobicContact CG-CG 4.41Å
151A96.9Very high92.1Very high62 Ų6279.9 Ų79.951%0.51239%0.393SS..EExtended strand (participates in β ladder)trans-92.1133.2168.900000109.5Q131 I132Q131-A151 HydrophobicContact CG-CB 3.99Å; I132-A151 WeakPolarHBondContact O-CA 3.5Å
152K96.7Very high92.8Very high52 Ų5286.8 Ų86.823%0.22641%0.407CS..EExtended strand (participates in β ladder)trans-125.1130.2173.1176.2169.4163.252.40109.7I102 E104 Q131 I132 V134 I154I102-K152 HydrophobicContact CD1-CD 3.98Å; E104-K152 WeakPolarHBondContact OE1-CE 3.43Å; E104-K152 IonicContact OE1-NZ 2.99Å; E104-K152 PolarHBondContact OE1-NZ 2.92Å; E104-K152 IonicContact OE2-NZ 2.78Å; Q131-K152 WeakPolarHBondContact CA-O 3.22Å; I132-K152 HydrophobicContact CG1-CB 4.16Å; I132-K152 WeakPolarHBondContact CG1-O 2.95Å; I132-K152 PolarHBondContact N-O 3.23Å; I132-K152 PolarHBondContact O-N 3.48Å; V134-K152 HydrophobicContact CG1-CB 4.23Å; V134-K152 HydrophobicContact CG2-CB 4.37Å; K152-I154 HydrophobicContact CD-CG2 4.24Å; K152-I154 HydrophobicContact CG-CG2 3.99Å
153I97.8Very high93.4Very high105 Ų10580.8 Ų80.854%0.53839%0.387SS..EExtended strand (participates in β ladder)trans-84.8132.8169.7-59.9174.9000108Y129 H130Y129-I153 HydrophobicContact CD1-CG2 3.74Å; Y129-I153 HydrophobicContact CG-CG2 4.02Å; H130-I153 WeakPolarHBondContact O-CA 3.12Å
154I97.8Very high94.1Very high16 Ų1679 Ų798%0.08239%0.386CS..EExtended strand (participates in β ladder)trans-130.7148.5175.559.8166.3000110.5I102 E104 Y129 H130 I132 K152 V156I102-I154 HydrophobicContact CG2-CG2 3.88Å; E104-I154 HydrophobicContact CG-CB 3.97Å; E104-I154 HydrophobicContact CG-CG2 3.9Å; E104-I154 WeakPolarHBondContact OE2-CA 3.42Å; Y129-I154 CarbonylContact C-O 3.53Å; Y129-I154 WeakPolarHBondContact CA-O 3.41Å; H130-I154 PolarHBondContact N-O 3.31Å; H130-I154 WeakPolarHBondContact O-CG1 3.06Å; H130-I154 PolarHBondContact O-N 3.22Å; I132-I154 HydrophobicContact CD1-CD1 4.05Å; I132-I154 HydrophobicContact CD1-CG1 4.48Å; I132-I154 HydrophobicContact CD1-CG2 4.05Å; I132-I154 HydrophobicContact CG1-CD1 4.37Å; I132-I154 HydrophobicContact CG1-CG1 4.39Å; I132-I154 HydrophobicContact CG1-CG2 4.27Å; I132-I154 HydrophobicContact CG2-CD1 3.89Å; I132-I154 HydrophobicContact CG2-CG1 4.2Å; K152-I154 HydrophobicContact CD-CG2 4.24Å; K152-I154 HydrophobicContact CG-CG2 3.99Å; I154-V156 HydrophobicContact CD1-CG1 3.76Å; I154-V156 HydrophobicContact CG1-CG1 3.87Å
155A98Very high94Very high6 Ų677.1 Ų77.15%0.0539%0.388CS..EExtended strand (participates in β ladder)trans-83.6126.4167.200000110E104 V105 P127 I128 Y129E104-A155 WeakPolarHBondContact CA-O 3.34Å; V105-A155 HydrophobicContact CG2-CB 3.93Å; V105-A155 PolarHBondContact N-O 3.43Å; V105-A155 VanDerWaalsContact O-CB 3.31Å; V105-A155 WeakPolarHBondContact O-CB 3.26Å; P127-A155 HydrophobicContact CB-CB 4.03Å; I128-A155 WeakPolarHBondContact O-CA 3.44Å; Y129-A155 HydrophobicContact CD1-CB 4.25Å; Y129-A155 HydrophobicContact CE1-CB 4.16Å
156V96.6Very high93.6Very high72 Ų7279.8 Ų79.844%0.43640%0.404SS..EExtended strand (participates in β ladder)trans-110.8-14.9-175.6-63.20000114.1I128 H130 I154I128-V156 HydrophobicContact CB-CG2 4.37Å; I128-V156 HydrophobicContact CG2-CG2 4.2Å; I128-V156 PolarHBondContact O-N 3.19Å; H130-V156 HydrophobicContact CB-CG1 3.79Å; H130-V156 HydrophobicContact CB-CG2 4.21Å; I154-V156 HydrophobicContact CD1-CG1 3.76Å; I154-V156 HydrophobicContact CG1-CG1 3.87Å
157G97.3Very high92.7Very high7 Ų783.2 Ų83.27%0.07242%0.423CS..EExtended strand (participates in β ladder)trans-167.2173178.200000110.2V105 P127 I128V105-G157 VanDerWaalsContact CG2-N 3.26Å; P127-G157 CarbonylContact C-O 3.57Å; P127-G157 WeakPolarHBondContact CA-O 3.28Å; I128-G157 PolarHBondContact N-O 2.94Å
158C98.3Very high91.5Very high8 Ų886.8 Ų86.85%0.05445%0.445CS..EExtended strand (participates in β ladder)trans-118.2145.5164.9-65.40000109.7S85 W87 C107 K126S85-C158 WeakPolarHBondContact O-CB 3.38Å; S85-C158 VanDerWaalsContact OG-C 3.3Å; S85-C158 PolarHBondContact OG-O 2.91Å; W87-C158 HydrophobicContact CB-CB 4.38Å; W87-C158 HydrophobicContact CE3-CB 3.9Å; W87-C158 WeakPolarHBondContact CZ3-O 3.27Å; C107-C158 WeakPolarHBondContact CA-SG 3.37Å; C107-C158 HydrophobicContact CB-CB 3.97Å; C107-C158 WeakPolarHBondContact CB-SG 3.35Å; C107-C158 PolarHBondContact N-SG 2.73Å; C107-C158 WeakPolarHBondContact SG-CB 3.19Å; C107-C158 CovalentContact SG-SG 2.04Å; C107-C158 PolarHBondContact SG-SG 2.73Å; K126-C158 CarbonylContact O-C 3.52Å; K126-C158 VanDerWaalsContact O-CA 3.31Å; K126-C158 WeakPolarHBondContact O-CA 3.45Å
159T98.4Very high89.6Confident60 Ų6093.4 Ų93.437%0.36848%0.481SS..EExtended strand (participates in β ladder)trans-124.2161.6175.1-171.30000110.3S85 S125 K126 I128 V161S85-T159 WeakPolarHBondContact OG-CA 3.46Å; S85-T159 PolarHBondContact OG-N 3.45Å; S125-T159 WeakPolarHBondContact CA-O 3.47Å; K126-T159 PolarHBondContact N-O 3.08Å; K126-T159 PolarHBondContact O-N 3.03Å; I128-T159 HydrophobicContact CD1-CG2 4.32Å; I128-T159 HydrophobicContact CG1-CG2 3.9Å; T159-V161 HydrophobicContact CG2-CG1 3.99Å
160C98.3Very high89.4Confident30 Ų3092.6 Ų92.620%0.20348%0.476CS..EExtended strand (participates in β ladder)trans-101.2125.6176.5-172.40000110.1I84 S85 C112 E124I84-C160 HydrophobicContact CD1-CB 3.82Å; I84-C160 HydrophobicContact CG1-CB 4.13Å; S85-C160 PolarHBondContact OG-N 2.97Å; C112-C160 HydrophobicContact CB-CB 3.94Å; C112-C160 WeakPolarHBondContact CB-SG 3.48Å; C112-C160 VanDerWaalsContact SG-CA 3.51Å; C112-C160 WeakPolarHBondContact SG-CB 3.46Å; C112-C160 CovalentContact SG-SG 2.02Å; C112-C160 PolarHBondContact SG-SG 3.1Å; E124-C160 WeakPolarHBondContact O-CA 3.27Å
161V97.8Very high89Confident52 Ų5293.8 Ų93.832%0.31548%0.484SS..EExtended strand (participates in β ladder)trans-128.9163.4-178.4-57.80000111.4L123 E124 K126 T159L123-V161 WeakPolarHBondContact CA-O 3.3Å; E124-V161 HydrophobicContact CB-CG2 4.04Å; E124-V161 PolarHBondContact N-O 3.34Å; E124-V161 PolarHBondContact O-N 2.88Å; K126-V161 HydrophobicContact CB-CG2 4.37Å; K126-V161 HydrophobicContact CG-CG2 3.59Å; T159-V161 HydrophobicContact CG2-CG1 3.99Å
162R96.7Very high88.6Confident216 Ų21695.6 Ų95.682%0.81548%0.483SS*.PPolyproline II helixtrans-78.6144.7167.4-66.1178.8-178.7162.40.4109.4L123L123-R162 HydrophobicContact CD2-CG 4.05Å
163P92.3Very high88.1Confident56 Ų5698.2 Ų98.236%0.36450%0.498SS..PPolyproline II helixtrans-56.4147.1172.6-21.831.4000111.3S122 E124 I165S122-P163 WeakPolarHBondContact O-CD 3.44Å; S122-P163 VanDerWaalsContact O-CG 3.28Å; S122-P163 WeakPolarHBondContact O-CG 3.43Å; E124-P163 HydrophobicContact CG-CG 4.21Å; P163-I165 PolarHBondContact O-N 3.02Å
164S85.3Confident87.5Confident104 Ų10497.8 Ų97.873%0.72750%0.495SS*.PPolyproline II helixtrans-64.4118.6171.452.40000109.8E166S164-E166 PolarHBondContact O-N 3.26Å
165I79.8Confident86.8Confident139 Ų139103.2 Ų103.271%0.71352%0.523SS*.  trans-86.9104.4169-55.6171.7000106.1P163 H167P163-I165 PolarHBondContact O-N 3.02Å; I165-H167 PolarHBondContact O-N 3.48Å
166E76.4Confident86Confident174 Ų174110.1 Ų110.181%0.81356%0.556SS**  trans-71.9108.7164.9-65.9-143.6165.700107.7S164 Q168S164-E166 PolarHBondContact O-N 3.26Å; E166-Q168 PolarHBondContact O-N 3.33Å; E166-Q168 VanDerWaalsContact O-N 3.09Å
167H68.6Low85.2Confident165 Ų165113.1 Ų113.176%0.76457%0.566SS**  trans-65109.8167.1-79.3-71.9000107.6I165 Q169I165-H167 PolarHBondContact O-N 3.48Å; H167-Q169 PolarHBondContact O-N 3.47Å
168Q66.8Low84.2Confident197 Ų197121.9 Ų121.992%0.92161%0.607SS**  trans-62.8105.3166.2-70.4-177.6-44.100107.5E166E166-Q168 PolarHBondContact O-N 3.33Å; E166-Q168 VanDerWaalsContact O-N 3.09Å
169Q51.8Low82.9Confident262 Ų262132.3 Ų132.3100%1.22466%0.657SS**  trans-83.20166.8-75.7-176.3-58.100110.3H167H167-Q169 PolarHBondContact O-N 3.47Å

Retrieved 169 of 169 residues in 58.3 ms (Link to these results)