A0A096NWC6_PAPAN Loading...

Collectin subfamily member 10

AlphaFold DB (A0A2K5KZZ2), UniProt , Accession A0A096NWC6, Species PAPAN (Papio anubis, Olive baboon), Gene COLEC10, Length 277 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
1M51.2Low53.7Low230 Ų230132.7 Ų132.7100%1.13369%0.691SS**  029.50-70.8164.962.300113.3
2N53Low54.8Low151 Ų151133.8 Ų133.881%0.80769%0.69SS**  trans-109.64.2-172.9-64.3-4.5000114.6
3G51.5Low55.9Low47 Ų47135.1 Ų135.149%0.48569%0.688SS.*SBendtrans-89.8-33.1-177.800000115.1S6G3-S6 PolarHBondContact O-OG 3.4Å
4L49.8Very low57.2Low145 Ų145132.1 Ų132.176%0.75967%0.673SS**Hα-helixtrans-75.6-30.3-176.8-98.3111.6000113.5S6 L8L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.38Å; L4-L8 PolarHBondContact O-N 3.36Å
5A52.5Low58Low66 Ų66131.1 Ų131.155%0.54567%0.669SS.*Hα-helixtrans-70.6-26.6-179.200000113.4R9A5-R9 PolarHBondContact O-N 3.46Å
6S54.8Low59Low76 Ų76129.9 Ų129.953%0.53166%0.663SS.*Hα-helixtrans-79.9-34179.576.20000112.5G3 L4 R10G3-S6 PolarHBondContact O-OG 3.4Å; L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.38Å; S6-R10 PolarHBondContact O-N 3.43Å; S6-R10 VanDerWaalsContact O-N 3.15Å
7L53Low59.9Low130 Ų130126.6 Ų126.668%0.68165%0.651SS**Hα-helixtrans-67.6-38.3174.9-93.5118.9000112.3R10 N11L7-R10 PolarHBondContact O-N 3.34Å; L7-N11 PolarHBondContact O-N 3.43Å; L7-N11 VanDerWaalsContact O-N 3.1Å
8L53.8Low60.6Low122 Ų122125.4 Ų125.464%0.63965%0.645SS**Hα-helixtrans-65.5-39.5175.9-92.2144.7000112.8L4 Q12L4-L8 PolarHBondContact O-N 3.36Å; L8-Q12 PolarHBondContact O-N 3.43Å; L8-Q12 VanDerWaalsContact O-N 3.09Å
9R57.4Low61.1Low192 Ų192126.6 Ų126.673%0.72565%0.646SS**Hα-helixtrans-67.4-37174.6-82.9-171.4-173.5-154.41.5113.1A5 Q12 F13A5-R9 PolarHBondContact O-N 3.46Å; R9-Q12 PolarHBondContact O-N 3.42Å; R9-F13 PolarHBondContact O-N 3.49Å
10R58.2Low61.5Low201 Ų201125.3 Ų125.376%0.75864%0.639SS**Hα-helixtrans-68.6-37.2179.5-140.1174-174.8-175.20.4111.4S6 L7 I14S6-R10 PolarHBondContact O-N 3.43Å; S6-R10 VanDerWaalsContact O-N 3.15Å; L7-R10 PolarHBondContact O-N 3.34Å; R10-I14 WeakPolarHBondContact O-CG1 3.37Å; R10-I14 PolarHBondContact O-N 3.5Å
11N55.8Low61.6Low100 Ų100124.1 Ų124.154%0.53563%0.634SS.*Hα-helixtrans-73.3-35.5177.4-134.719.2000112.5L7 F13 I14 L15L7-N11 PolarHBondContact O-N 3.43Å; L7-N11 VanDerWaalsContact O-N 3.1Å; N11-F13 VanDerWaalsContact C-N 3.35Å; N11-F13 PolarHBondContact O-N 3.29Å; N11-I14 PolarHBondContact O-N 3.3Å; N11-L15 WeakPolarHBondContact O-CD1 3.27Å; N11-L15 PolarHBondContact O-N 3.4Å
12Q66Low62Low146 Ų146119.7 Ų119.768%0.68261%0.611SS**Hα-helixtrans-62.7-39.9173.1-112.6-173.1-8.100112.5L8 R9 L15 L16L8-Q12 PolarHBondContact O-N 3.43Å; L8-Q12 VanDerWaalsContact O-N 3.09Å; R9-Q12 PolarHBondContact O-N 3.42Å; Q12-L15 PolarHBondContact O-N 3.44Å; Q12-L16 WeakPolarHBondContact O-CB 3.33Å; Q12-L16 PolarHBondContact O-N 3.48Å
13F69.9Low62.3Low150 Ų150116.9 Ų116.966%0.65860%0.595SS**Hα-helixtrans-65-40.5177-107.7-89.4000112.4R9 N11 L16 V17R9-F13 PolarHBondContact O-N 3.49Å; N11-F13 VanDerWaalsContact C-N 3.35Å; N11-F13 PolarHBondContact O-N 3.29Å; F13-L16 PolarHBondContact O-N 3.41Å; F13-V17 VanDerWaalsContact O-CG2 3.27Å; F13-V17 WeakPolarHBondContact O-CG2 3.49Å; F13-V17 PolarHBondContact O-N 3.48Å
14I73.5Confident62.4Low93 Ų93122.5 Ų122.548%0.47761%0.608SS.*Hα-helixtrans-67.2-41.8178.4-65.8166.4000110.6R10 N11 L16 V17 L18R10-I14 WeakPolarHBondContact O-CG1 3.37Å; R10-I14 PolarHBondContact O-N 3.5Å; N11-I14 PolarHBondContact O-N 3.3Å; I14-L16 PolarHBondContact O-N 3.39Å; I14-V17 PolarHBondContact O-N 3.43Å; I14-L18 HydrophobicContact CG2-CD1 3.94Å; I14-L18 WeakPolarHBondContact O-CB 3.45Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 3.5Å
15L70.3Confident62.4Low117 Ų117119.9 Ų119.961%0.61360%0.602SS**Hα-helixtrans-63.2-39.1173.9-98.7116.7000112.5N11 Q12 L18 F19N11-L15 WeakPolarHBondContact O-CD1 3.27Å; N11-L15 PolarHBondContact O-N 3.4Å; Q12-L15 PolarHBondContact O-N 3.44Å; L15-L18 PolarHBondContact O-N 3.09Å; L15-F19 WeakPolarHBondContact O-CB 3.44Å; L15-F19 PolarHBondContact O-N 3.1Å
16L72.9Confident62.3Low112 Ų112123.2 Ų123.259%0.58661%0.61SS**Hα-helixtrans-67.3-39.8178.5-149.899.4000111.9Q12 F13 I14 F19 L20Q12-L16 WeakPolarHBondContact O-CB 3.33Å; Q12-L16 PolarHBondContact O-N 3.48Å; F13-L16 PolarHBondContact O-N 3.41Å; I14-L16 PolarHBondContact O-N 3.39Å; L16-F19 PolarHBondContact O-N 3.18Å; L16-L20 HydrophobicContact CD2-CD1 4.28Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.04Å
17V74.9Confident62Low74 Ų74122.5 Ų122.545%0.44862%0.615SS.*Hα-helixtrans-69.5-39.6177.6173.20000111.3F13 I14 F19 L20 L21F13-V17 VanDerWaalsContact O-CG2 3.27Å; F13-V17 WeakPolarHBondContact O-CG2 3.49Å; F13-V17 PolarHBondContact O-N 3.48Å; I14-V17 PolarHBondContact O-N 3.43Å; V17-F19 VanDerWaalsContact C-N 3.33Å; V17-L20 PolarHBondContact O-N 3.37Å; V17-L21 HydrophobicContact CG1-CD1 4Å; V17-L21 WeakPolarHBondContact O-CB 3.29Å; V17-L21 PolarHBondContact O-N 3.15Å
18L72.3Confident61.7Low105 Ų105123.3 Ų123.355%0.5562%0.619SS.*Hα-helixtrans-65.6-36174.1-73.9168.3000112.2I14 L15 Q22I14-L18 HydrophobicContact CG2-CD1 3.94Å; I14-L18 WeakPolarHBondContact O-CB 3.45Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 3.5Å; L15-L18 PolarHBondContact O-N 3.09Å; L18-Q22 VanDerWaalsContact O-CG 3.27Å; L18-Q22 WeakPolarHBondContact O-CG 3.49Å; L18-Q22 PolarHBondContact O-N 3.34Å; L18-Q22 VanDerWaalsContact O-N 3.15Å
19F70.6Confident61Low149 Ų149125.2 Ų125.265%0.65463%0.63SS**Hα-helixtrans-68.9-39.5175.3-160-100.5000112L15 L16 V17 Q22 I23L15-F19 WeakPolarHBondContact O-CB 3.44Å; L15-F19 PolarHBondContact O-N 3.1Å; L16-F19 PolarHBondContact O-N 3.18Å; V17-F19 VanDerWaalsContact C-N 3.33Å; F19-Q22 PolarHBondContact O-N 3.49Å; F19-I23 HydrophobicContact CD1-CD1 3.9Å; F19-I23 HydrophobicContact CE1-CD1 3.96Å; F19-I23 WeakPolarHBondContact O-CG1 3.27Å; F19-I23 PolarHBondContact O-N 3.46Å
20L67.8Low60.7Low99 Ų99123.3 Ų123.352%0.51863%0.633SS.*Hα-helixtrans-67.9-35.2175.3-72.7165.3000112.8L16 V17 I23 Q24L16-L20 HydrophobicContact CD2-CD1 4.28Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.04Å; V17-L20 PolarHBondContact O-N 3.37Å; L20-I23 PolarHBondContact O-N 2.99Å; L20-Q24 PolarHBondContact O-N 3Å
21L64.2Low59.8Low102 Ų102120 Ų12053%0.53463%0.63SS.*Hα-helixtrans-69-31.1174.1-85.1157.3000112.9V17V17-L21 HydrophobicContact CG1-CD1 4Å; V17-L21 WeakPolarHBondContact O-CB 3.29Å; V17-L21 PolarHBondContact O-N 3.15Å
22Q59.8Low58.9Low136 Ų136120.5 Ų120.564%0.63664%0.641SS**Hα-helixtrans-70-33.5173.6-70.7-96-61.800112L18 F19 Q24 S25L18-Q22 VanDerWaalsContact O-CG 3.27Å; L18-Q22 WeakPolarHBondContact O-CG 3.49Å; L18-Q22 PolarHBondContact O-N 3.34Å; L18-Q22 VanDerWaalsContact O-N 3.15Å; F19-Q22 PolarHBondContact O-N 3.49Å; Q22-Q24 VanDerWaalsContact C-N 3.32Å; Q22-Q24 PolarHBondContact O-N 2.95Å; Q22-S25 PolarHBondContact O-N 3.5Å; Q22-S25 PolarHBondContact O-OG 2.98Å
23I58.6Low57.6Low92 Ų92123.6 Ų123.647%0.47265%0.647SS.*Hα-helixtrans-68.2-30.6178.5-65.8165.6000111.8F19 L20 S25 L26F19-I23 HydrophobicContact CD1-CD1 3.9Å; F19-I23 HydrophobicContact CE1-CD1 3.96Å; F19-I23 WeakPolarHBondContact O-CG1 3.27Å; F19-I23 PolarHBondContact O-N 3.46Å; L20-I23 PolarHBondContact O-N 2.99Å; I23-S25 PolarHBondContact O-N 3.42Å; I23-L26 PolarHBondContact O-N 3.35Å
24Q53.8Low56.2Low165 Ų165122.2 Ų122.277%0.77165%0.653SS**THydrogen-bonded Turntrans-70.5-15.3175.7-71.1-176-27.200114L20 Q22L20-Q24 PolarHBondContact O-N 3Å; Q22-Q24 VanDerWaalsContact C-N 3.32Å; Q22-Q24 PolarHBondContact O-N 2.95Å
25S50.5Low54.6Low90 Ų90123.9 Ų123.963%0.62967%0.668SS**THydrogen-bonded Turntrans-89.2-11174.169.70000113.9Q22 I23 G27Q22-S25 PolarHBondContact O-N 3.5Å; Q22-S25 PolarHBondContact O-OG 2.98Å; I23-S25 PolarHBondContact O-N 3.42Å; S25-G27 VanDerWaalsContact C-N 3.34Å; S25-G27 PolarHBondContact O-N 3.5Å
26L49.2Very low53.5Low136 Ų136122.5 Ų122.571%0.71267%0.673SS**  trans-98.860.8171.4-72164000109I23 L28I23-L26 PolarHBondContact O-N 3.35Å; L26-L28 VanDerWaalsContact C-N 3.26Å; L26-L28 PolarHBondContact O-N 3.15Å
27G49.6Very low52.1Low62 Ų62124.9 Ų124.964%0.63968%0.681SS**  trans-64.788.3165.100000109.6S25 D29S25-G27 VanDerWaalsContact C-N 3.34Å; S25-G27 PolarHBondContact O-N 3.5Å; G27-D29 PolarHBondContact O-N 3.37Å
28L46.4Very low50.7Low147 Ų147127 Ų12777%0.7769%0.694SS**  trans-79.492.7156.7-75.5171.4000106.6L26 I30L26-L28 VanDerWaalsContact C-N 3.26Å; L26-L28 PolarHBondContact O-N 3.15Å; L28-I30 VanDerWaalsContact C-N 3.28Å; L28-I30 HydrophobicContact CB-CG1 4.37Å; L28-I30 PolarHBondContact O-N 2.98Å
29D39.4Very low49.5Very low162 Ų162126.8 Ų126.887%0.86670%0.7SS**  trans-62.492.8164-76.8-43.8000108.6G27G27-D29 PolarHBondContact O-N 3.37Å
30I50.3Low48.2Very low151 Ų151123.1 Ų123.177%0.77470%0.698SS**  trans-103.976.2165.1-55.2173.9000106.7L28L28-I30 VanDerWaalsContact C-N 3.28Å; L28-I30 HydrophobicContact CB-CG1 4.37Å; L28-I30 PolarHBondContact O-N 2.98Å
31D39.1Very low47.5Very low132 Ų132124.8 Ų124.871%0.70671%0.712SS**  trans-157.367.6150.1-157.48.7000111.1
32S37.8Very low46.8Very low110 Ų110129 Ų12977%0.76973%0.728SS**  trans-116.694.5150.661.40000107.1
33R38.5Very low46Very low211 Ų211127.9 Ų127.980%0.79673%0.731SS**  trans-41.7123164.2-66176.4-173.9-170.3-0.2108.6T35R33-T35 PolarHBondContact O-N 3.27Å
34P40.4Very low45.5Very low121 Ų121130.8 Ų130.879%0.78675%0.746SS**  trans-67.5107.7163.427.4-26.5000105.1A36P34-A36 PolarHBondContact O-N 3.4Å
35T40.3Very low45.1Very low129 Ų129127.3 Ų127.379%0.79174%0.74SS**  trans-50.5116159.745.70000105.3R33 E37R33-T35 PolarHBondContact O-N 3.27Å; T35-E37 VanDerWaalsContact C-N 3.33Å; T35-E37 PolarHBondContact O-N 3.36Å
36A46.8Very low45.4Very low88 Ų88128.9 Ų128.973%0.72775%0.748SS**  trans-5398.6-176.600000109.2P34 V38P34-A36 PolarHBondContact O-N 3.4Å; A36-V38 HydrophobicContact CB-CG2 4.37Å; A36-V38 PolarHBondContact O-N 2.74Å
37E43.1Very low45.5Very low162 Ų162124.7 Ų124.776%0.75774%0.738SS**  trans-78.781.6168.5-157.4173.8-165.100105.5T35 C39T35-E37 VanDerWaalsContact C-N 3.33Å; T35-E37 PolarHBondContact O-N 3.36Å; E37-C39 VanDerWaalsContact C-N 3.33Å; E37-C39 PolarHBondContact O-N 3.22Å
38V46.1Very low46Very low118 Ų118127.6 Ų127.672%0.71575%0.745SS**  trans-56.8101.2172.5177.30000106.5A36 A40A36-V38 HydrophobicContact CB-CG2 4.37Å; A36-V38 PolarHBondContact O-N 2.74Å; V38-A40 PolarHBondContact O-N 3.23Å
39C48Very low46.6Very low100 Ų100129.1 Ų129.168%0.67675%0.745SS**  trans-68.382.4172.7-73.60000108.9E37 T41E37-C39 VanDerWaalsContact C-N 3.33Å; E37-C39 PolarHBondContact O-N 3.22Å; C39-T41 PolarHBondContact O-N 3.44Å
40A42.9Very low47.5Very low73 Ų73123.3 Ų123.360%0.60372%0.724SS**  trans-75.6119.2165.100000108.4V38 H42V38-A40 PolarHBondContact O-N 3.23Å; A40-H42 PolarHBondContact O-N 3.44Å
41T53Low48Very low133 Ų133123.6 Ų123.682%0.81673%0.727SS**SBendtrans-51.6125.917043.70000110.6C39C39-T41 PolarHBondContact O-N 3.44Å
42H49.1Very low49.2Very low191 Ų191123.9 Ų123.988%0.88473%0.729SS**SBendtrans60.366.1166-90-73.8000117.3A40A40-H42 PolarHBondContact O-N 3.44Å
43T42.7Very low50.1Low113 Ų113121.5 Ų121.569%0.69372%0.721SS**  trans-137.9113.8155.3-55.50000110S45T43-S45 PolarHBondContact O-N 2.97Å
44I48.1Very low51.2Low153 Ų153120.6 Ų120.679%0.78573%0.726SS**  trans-76.9108.4166.8-59.9169.4000105.9P46I44-P46 WeakPolarHBondContact O-CD 3.46Å
45S45.5Very low52.2Low92 Ų92124.4 Ų124.464%0.64373%0.73SS**PPolyproline II helixtrans-67125.1171.3-43.40000108.9T43 G47T43-S45 PolarHBondContact O-N 2.97Å; S45-G47 PolarHBondContact O-N 3.46Å
46P56.6Low52.9Low123 Ų123121.3 Ų121.380%0.79972%0.724SS**PPolyproline II helixtrans-57.5135171.1-22.733.5000110I44I44-P46 WeakPolarHBondContact O-CD 3.46Å
47G52.6Low53.6Low48 Ų48124.4 Ų124.450%0.49573%0.728SS.*PPolyproline II helixtrans-60.8162.1173.800000111.9S45S45-G47 PolarHBondContact O-N 3.46Å
48P59.2Low54.5Low122 Ų122122.6 Ų122.679%0.79273%0.73SS**PPolyproline II helixtrans-55.2144.8178.123.9-33000111.2G50P48-G50 PolarHBondContact O-N 3.31Å
49K59.9Low55.1Low179 Ų179120.4 Ų120.478%0.77873%0.732SS**PPolyproline II helixtrans-56.7131.2174.3-172.9-170.6172.1-156.40108D52K49-D52 IonicContact NZ-OD1 2.64Å
50G57.1Low55.8Low40 Ų40124.8 Ų124.841%0.41274%0.743SS.*PPolyproline II helixtrans-59154.8175.400000111.6P48P48-G50 PolarHBondContact O-N 3.31Å
51D61.8Low56.8Low158 Ų158130 Ų13085%0.84575%0.754SS**PPolyproline II helixtrans-59.2149.7-179.4-61.2-44.6000111.7
52D64.5Low57.1Low138 Ų138126.6 Ų126.674%0.73875%0.746SS**PPolyproline II helixtrans-65.6136.2176.2-70.8-24.8000109.7K49K49-D52 IonicContact NZ-OD1 2.64Å
53G56Low57.7Low59 Ų59127.3 Ų127.361%0.60875%0.747SS**PPolyproline II helixtrans-63.4153.5-17700000113.4
54E62.3Low58.5Low192 Ų192130.5 Ų130.590%0.89775%0.753SS**PPolyproline II helixtrans-59.7142.2180-66.9-172.1153.900112.2G56E54-G56 PolarHBondContact O-N 3.33Å
55K60Low58.8Low202 Ų202126.7 Ų126.788%0.87875%0.752SS**PPolyproline II helixtrans-69.7126.1177.8-173.6-178.8-179.5-176.80109.2
56G56.3Low59.5Low64 Ų64132.2 Ų132.266%0.6676%0.764SS**PPolyproline II helixtrans-59.8151179.500000113.8E54E54-G56 PolarHBondContact O-N 3.33Å
57D60.2Low59.9Low152 Ų152133.2 Ų133.281%0.81377%0.768SS**PPolyproline II helixtrans-63.7153.2-177.2-64.8-48.7000113.3
58P63Low60Low124 Ų124134 Ų13481%0.80578%0.777SS**PPolyproline II helixtrans-57.6137.4170.9-21.332.9000111.7
59G58.1Low60.1Low73 Ų73140.2 Ų140.275%0.75378%0.784SS**PPolyproline II helixtrans-63.2148.6178.500000112.7
60E62.8Low60.2Low192 Ų192140.7 Ų140.790%0.89779%0.791SS**PPolyproline II helixtrans-63.9148.4-179.7-65.6-149.4153.300113.1
61E64.7Low60.3Low181 Ų181141.6 Ų141.685%0.84680%0.8SS**PPolyproline II helixtrans-65.2137.8177.8-165175.2-17700111.3
62G57.6Low60.5Low63 Ų63140.3 Ų140.365%0.64980%0.801SS**PPolyproline II helixtrans-61.4137.3-177.100000112.7H64G62-H64 PolarHBondContact O-N 2.89Å
63K63.3Low60.4Low206 Ų206143.8 Ų143.890%0.89681%0.809SS**PPolyproline II helixtrans-62134.8177.1-63.2-176.8-179179.30110.6G65K63-G65 PolarHBondContact O-N 3.3Å
64H58.4Low60.7Low179 Ų179144.2 Ų144.283%0.82981%0.814SS**PPolyproline II helixtrans-55.8138.3176.2-86.363.4000111.4G62G62-H64 PolarHBondContact O-N 2.89Å
65G55.3Low60.6Low73 Ų73143.7 Ų143.775%0.75382%0.816SS**PPolyproline II helixtrans-58.5141.3-17900000112.2K63 V67K63-G65 PolarHBondContact O-N 3.3Å; G65-V67 PolarHBondContact O-N 3.35Å
66K59.7Low60.1Low208 Ų208144 Ų14490%0.90482%0.817SS**PPolyproline II helixtrans-62.5132.3178.8-62.3-178-178.5-179.30110G68K66-G68 PolarHBondContact O-N 2.91Å
67V65.1Low60.1Low144 Ų144144.3 Ų144.387%0.87382%0.82SS**PPolyproline II helixtrans-53.4131.3172.8178.70000109.2G65G65-V67 PolarHBondContact O-N 3.35Å
68G53.7Low59.8Low66 Ų66146.7 Ų146.768%0.6883%0.826SS**PPolyproline II helixtrans-56.1143.3-177.700000111.9K66 M70K66-G68 PolarHBondContact O-N 2.91Å; G68-M70 PolarHBondContact O-N 2.97Å
69R62.2Low59.2Low252 Ų252149.9 Ų149.995%0.95184%0.835SS**PPolyproline II helixtrans-61.9131.7178.5-68.3-177.5176.2-172-1.5109.7G71R69-G71 PolarHBondContact O-N 3.4Å
70M62.6Low58.7Low188 Ų188149.5 Ų149.593%0.92683%0.832SS**PPolyproline II helixtrans-55.8131.7172.4-165.2161.263.700109.2G68G68-M70 PolarHBondContact O-N 2.97Å
71G59.3Low57.9Low59 Ų59148.5 Ų148.561%0.60883%0.833SS**PPolyproline II helixtrans-59.5150.1-175.700000112.3R69 K73R69-G71 PolarHBondContact O-N 3.4Å; G71-K73 PolarHBondContact O-N 2.98Å
72P64.6Low56.9Low131 Ų131148.2 Ų148.285%0.85184%0.835SS**PPolyproline II helixtrans-58.8136.3-17924.1-32.5000111G74P72-G74 PolarHBondContact O-N 3.29Å
73K63.3Low56.3Low211 Ų211148.2 Ų148.292%0.91784%0.835SS**PPolyproline II helixtrans-62.8124.7174.6-155.5177.2-175-178.40108.2G71G71-K73 PolarHBondContact O-N 2.98Å
74G61.1Low55.7Low69 Ų69146.6 Ų146.671%0.71184%0.836SS**PPolyproline II helixtrans-62.4142.5-176.500000113.3P72P72-G74 PolarHBondContact O-N 3.29Å
75I61Low55.2Low181 Ų181147.3 Ų147.393%0.92884%0.84SS**PPolyproline II helixtrans-59.3132.9168.143.9170.8000110.3
76K49.7Very low55.2Low209 Ų209147.1 Ų147.191%0.90984%0.837SS**  trans-119.1130.8174.6-166.1170.1-179.61790109.6
77G56.3Low55Low70 Ų70145.3 Ų145.372%0.72284%0.838SS**  trans-85.8-169.8-160.300000117.2
78E54.7Low54.6Low202 Ų202146.8 Ų146.894%0.94484%0.839SS**SBendtrans-56.9155.2-178-70.3-179.7152.500114.1
79L49.3Very low54.7Low190 Ų190146.8 Ų146.8100%0.99584%0.839SS**SBendtrans-61.8126-168.3-172.472.1000113.7
80G48.3Very low54.5Low66 Ų66144.9 Ų144.968%0.6884%0.837SS**  trans171.6146.7169.300000111.8
81D46.1Very low54.6Low171 Ų171142.9 Ų142.991%0.91484%0.836SS**  trans-63.9165.8-162.7-65-54000117.7
82I43Very low54.3Low175 Ų175142.7 Ų142.790%0.89783%0.834SS**  trans-72146.8-156.9-68.3162.1000117.7
83G46.4Very low54.1Low62 Ų62142.7 Ų142.764%0.63983%0.834SS**  trans131.5132.9154.500000113
84D49.9Very low54.2Low172 Ų172140.8 Ų140.892%0.9283%0.832SS**  cis-144169.621.4-73.1-39.4000112.9
85Q48.6Very low54Low195 Ų195140.7 Ų140.791%0.91183%0.831SS**PPolyproline II helixtrans-70.5139.4-169.5-176.3175.4-22.500115.7
86G53.8Low54.3Low68 Ų68142.1 Ų142.170%0.70183%0.83SS**PPolyproline II helixtrans-88159.1-17000000117.7
87N55.4Low55.2Low171 Ų171141.9 Ų141.991%0.91483%0.829SS**PPolyproline II helixtrans-72.4142.4178.3-68.4-40.4000113.5
88I58.3Low55.4Low174 Ų174141.6 Ų141.689%0.89283%0.827SS**PPolyproline II helixtrans-66.8133179.9-64.6170.3000111.3
89G56.1Low55.9Low66 Ų66139.9 Ų139.968%0.6882%0.824SS**PPolyproline II helixtrans-71.7151.5-177.400000114.6
90K57.1Low56.7Low212 Ų212140.8 Ų140.892%0.92282%0.82SS**PPolyproline II helixtrans-66138.4179.1-62.6179.2179.1179.90111.8
91T64.9Low57.1Low146 Ų146140.8 Ų140.890%0.89682%0.82SS**PPolyproline II helixtrans-57.6136175.4-50.10000112
92G53.7Low58.1Low56 Ų56141.8 Ų141.858%0.57782%0.819SS**PPolyproline II helixtrans-69.9163.9-177.100000114.6
93P60.2Low59.2Low131 Ų131143.3 Ų143.385%0.85182%0.82SS**PPolyproline II helixtrans-68.1145.8-179.327.6-33.5000112.5
94I64.6Low59.8Low171 Ų171143.6 Ų143.688%0.87782%0.822SS**PPolyproline II helixtrans-58.8134.8173.6-70.6168.9000109.9
95G57.8Low60.5Low66 Ų66143.7 Ų143.768%0.6882%0.822SS**PPolyproline II helixtrans-63.6151.8-179.600000113.4
96K66.3Low61.2Low211 Ų211142.6 Ų142.692%0.91782%0.821SS**PPolyproline II helixtrans-66141.7177.7-60.7-174.2179.1-177.20110.7G98K96-G98 PolarHBondContact O-N 2.75Å
97K68.5Low61.4Low204 Ų204142 Ų14289%0.88782%0.815SS**PPolyproline II helixtrans-57.9134.1172.3-174176.2-178.4176.20109.4
98G59.8Low62.2Low65 Ų65141.2 Ų141.267%0.6781%0.809SS**PPolyproline II helixtrans-62.2153179.900000112.8K96K96-G98 PolarHBondContact O-N 2.75Å
99D64.8Low63Low166 Ų166138.5 Ų138.589%0.88880%0.803SS**PPolyproline II helixtrans-63.9150.8178.9-61.6-47.4000111.5G101D99-G101 PolarHBondContact O-N 2.93Å
100K66.4Low63.4Low208 Ų208138 Ų13890%0.90480%0.798SS**PPolyproline II helixtrans-65.5130.2175.3-174.7177.3-179.9178.30108.9
101G58.4Low64.2Low66 Ų66136.7 Ų136.768%0.6880%0.795SS**PPolyproline II helixtrans-54.6149178.200000112.8D99D99-G101 PolarHBondContact O-N 2.93Å
102E66.6Low64.7Low193 Ų193139.5 Ų139.590%0.90280%0.795SS**PPolyproline II helixtrans-62149179.7-66.5-175.5158.500111.4G104E102-G104 PolarHBondContact O-N 3.36Å
103K64.9Low65.2Low207 Ų207139 Ų13990%0.979%0.79SS**PPolyproline II helixtrans-69.4131.7177.3-155.6178.9-173.9-177.10108.3
104G59.1Low65.7Low67 Ų67142.3 Ų142.369%0.69179%0.791SS**PPolyproline II helixtrans-53.2149177.100000112.4E102E102-G104 PolarHBondContact O-N 3.36Å
105L64.6Low65.9Low174 Ų174138.9 Ų138.991%0.91179%0.788SS**PPolyproline II helixtrans-60.1147.8179.9-65170.4000111G107L105-G107 PolarHBondContact O-N 3.46Å
106L63.4Low66Low173 Ų173138.3 Ų138.391%0.90678%0.782SS**PPolyproline II helixtrans-61.3136.1173.4-104.1105.1000110
107G58.6Low65.8Low56 Ų56134.9 Ų134.958%0.57778%0.779SS**PPolyproline II helixtrans-59.6145.217400000111.7L105L105-G107 PolarHBondContact O-N 3.46Å
108I71.1Confident65.7Low154 Ų154131.6 Ų131.679%0.7978%0.776SS**PPolyproline II helixtrans-64.7133.2179.6-55.4172.1000108.2G110I108-G110 PolarHBondContact O-N 3.42Å
109P76.3Confident65.7Low116 Ų116132.9 Ų132.975%0.75377%0.774SS**PPolyproline II helixtrans-54.2135.1174-25.834.5000111.5
110G65.3Low65.9Low56 Ų56130.1 Ų130.158%0.57776%0.759SS**PPolyproline II helixtrans-59.1149.3179.700000112.7I108I108-G110 PolarHBondContact O-N 3.42Å
111E73.6Confident66Low185 Ų185123.5 Ų123.586%0.86474%0.738SS**PPolyproline II helixtrans-60.7143.7179.6-66.4-16515100111.5G113E111-G113 PolarHBondContact O-N 3.05Å
112K73.9Confident66.7Low205 Ų205122 Ų12289%0.89172%0.722SS**PPolyproline II helixtrans-63.5129.4177.3-171.3177.2-179.7178.80109.4
113G64.9Low67.1Low45 Ų45122 Ų12246%0.46471%0.714SS.*PPolyproline II helixtrans-54.8149.7176.600000112.9E111E111-G113 PolarHBondContact O-N 3.05Å
114K70.3Confident67.8Low200 Ų200120.3 Ų120.387%0.8770%0.703SS**PPolyproline II helixtrans-58.1142.8178.9-65.8179.8-179.1175.90110.7
115A70.3Confident69.1Low99 Ų99127.1 Ų127.182%0.81871%0.708SS**PPolyproline II helixtrans-60.6139174.800000110.7
116G59.4Low70.1Confident55 Ų55126.7 Ų126.757%0.56770%0.699SS**PPolyproline II helixtrans-64.7153.1174.700000112.3
117T62.3Low71.2Confident138 Ų138124.3 Ų124.385%0.84768%0.681SS**PPolyproline II helixtrans-74.4136.617748.40000111.3
118V65.4Low72.7Confident136 Ų136125.3 Ų125.382%0.82468%0.676SS**PPolyproline II helixtrans-76.9125.1177.7-179.30000110.1D120V118-D120 PolarHBondContact O-N 3.28Å
119C61Low73.6Confident92 Ų92119.4 Ų119.462%0.62265%0.653SS**  trans-73.6107.5169-73.10000110.4C121C119-C121 PolarHBondContact O-N 3.05Å
120D68.9Low74.4Confident108 Ų108119.9 Ų119.958%0.57865%0.645SS**  trans-80.481.1176.6-17817.9000111.8V118 G122 R123V118-D120 PolarHBondContact O-N 3.28Å; D120-G122 PolarHBondContact O-N 2.87Å; D120-G122 VanDerWaalsContact OD1-CA 3.25Å; D120-G122 WeakPolarHBondContact OD1-CA 3.25Å; D120-G122 PolarHBondContact OD1-N 3.32Å; D120-R123 PolarHBondContact OD1-N 2.83Å
121C67.2Low75.7Confident69 Ų69121 Ų12147%0.46664%0.638SS.*Hα-helixtrans-67.5-10.7168.3-61.20000112.8C119 Y124 R125C119-C121 PolarHBondContact O-N 3.05Å; C121-Y124 PolarHBondContact O-N 3.21Å; C121-R125 WeakPolarHBondContact O-CB 3.45Å; C121-R125 PolarHBondContact O-N 2.87Å
122G73.3Confident76.7Confident34 Ų34116.9 Ų116.935%0.35162%0.622SS.*Hα-helixtrans-67.5-35.4-178.200000112.9D120 R125 K126D120-G122 PolarHBondContact O-N 2.87Å; D120-G122 VanDerWaalsContact OD1-CA 3.25Å; D120-G122 WeakPolarHBondContact OD1-CA 3.25Å; D120-G122 PolarHBondContact OD1-N 3.32Å; G122-R125 PolarHBondContact O-N 2.98Å; G122-K126 PolarHBondContact O-N 3.02Å
123R74.6Confident77.8Confident194 Ų194112.9 Ų112.973%0.73261%0.609SS**Hα-helixtrans-60.9-46.8175-173.2176-178176.2-0.1112.1D120D120-R123 PolarHBondContact OD1-N 2.83Å
124Y80.4Confident79.2Confident170 Ų170113.7 Ų113.767%0.66761%0.607SS**Hα-helixtrans-71.9-36.3179.5-65.4-71000112.4C121 K126 F127 V128C121-Y124 PolarHBondContact O-N 3.21Å; Y124-K126 VanDerWaalsContact C-N 3.29Å; Y124-K126 PolarHBondContact O-N 3.45Å; Y124-F127 PolarHBondContact O-N 3.31Å; Y124-F127 VanDerWaalsContact O-N 3.13Å; Y124-V128 WeakPolarHBondContact O-CG2 3.36Å; Y124-V128 PolarHBondContact O-N 3.49Å
125R86.2Confident80.4Confident211 Ų211107.9 Ų107.980%0.79659%0.585SS**Hα-helixtrans-57.8-40177.8-171.4179.8-179.7106.7-0.5112.8C121 G122 G129C121-R125 WeakPolarHBondContact O-CB 3.45Å; C121-R125 PolarHBondContact O-N 2.87Å; G122-R125 PolarHBondContact O-N 2.98Å; R125-G129 PolarHBondContact O-N 3.13Å
126K85.6Confident81.6Confident165 Ų165105.6 Ų105.672%0.71757%0.566SS**Hα-helixtrans-64.8-42.9176.4-71.9-179.1-178.8177.40111.8G122 Y124 Q130G122-K126 PolarHBondContact O-N 3.02Å; Y124-K126 VanDerWaalsContact C-N 3.29Å; Y124-K126 PolarHBondContact O-N 3.45Å; K126-Q130 WeakPolarHBondContact O-CG 3.44Å; K126-Q130 PolarHBondContact O-N 2.89Å
127F87.1Confident83.3Confident123 Ų123112.2 Ų112.254%0.53957%0.574SS.*Hα-helixtrans-67.5-46.5179.7-175.5-104.1000112.2Y124 G129 Q130 L131Y124-F127 PolarHBondContact O-N 3.31Å; Y124-F127 VanDerWaalsContact O-N 3.13Å; F127-G129 VanDerWaalsContact C-N 3.33Å; F127-G129 PolarHBondContact O-N 3.32Å; F127-Q130 PolarHBondContact O-N 2.97Å; F127-L131 HydrophobicContact CD1-CD1 3.81Å; F127-L131 HydrophobicContact CD1-CG 4.49Å; F127-L131 HydrophobicContact CE1-CD1 3.41Å; F127-L131 VanDerWaalsContact CE1-CD1 3.41Å; F127-L131 HydrophobicContact CE1-CG 4.18Å; F127-L131 HydrophobicContact CZ-CD1 4Å; F127-L131 HydrophobicContact CZ-CG 4.36Å; F127-L131 PolarHBondContact O-N 3.47Å
128V90.5Very high84.9Confident76 Ų76111 Ų11146%0.46156%0.562SS.*Hα-helixtrans-60.5-44175.4174.90000110.7Y124 Q130 L131 D132Y124-V128 WeakPolarHBondContact O-CG2 3.36Å; Y124-V128 PolarHBondContact O-N 3.49Å; V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 PolarHBondContact O-N 3.1Å; V128-L131 WeakPolarHBondContact O-CB 3.34Å; V128-L131 PolarHBondContact O-N 3.03Å; V128-L131 VanDerWaalsContact O-N 3.15Å; V128-D132 PolarHBondContact O-N 3.43Å
129G89.8Confident86.2Confident30 Ų30111.3 Ų111.331%0.30955%0.552SS.*Hα-helixtrans-61.2-39.3176.100000113.3R125 F127 D132 I133R125-G129 PolarHBondContact O-N 3.13Å; F127-G129 VanDerWaalsContact C-N 3.33Å; F127-G129 PolarHBondContact O-N 3.32Å; G129-D132 PolarHBondContact O-N 2.82Å; G129-I133 WeakPolarHBondContact O-CD1 3.44Å; G129-I133 VanDerWaalsContact O-CG1 3.29Å; G129-I133 WeakPolarHBondContact O-CG1 3.39Å; G129-I133 PolarHBondContact O-N 2.82Å; G129-I133 VanDerWaalsContact O-N 3.11Å
130Q92.4Very high87.8Confident127 Ų127111.6 Ų111.659%0.59355%0.551SS**Hα-helixtrans-65.9-38.2174.5-76.7177.9-12.100112.5K126 F127 V128 S134K126-Q130 WeakPolarHBondContact O-CG 3.44Å; K126-Q130 PolarHBondContact O-N 2.89Å; F127-Q130 PolarHBondContact O-N 2.97Å; V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 PolarHBondContact O-N 3.1Å; Q130-S134 WeakPolarHBondContact O-CB 3.5Å; Q130-S134 PolarHBondContact O-N 3.42Å; Q130-S134 PolarHBondContact O-OG 3.16Å
131L93.8Very high88.9Confident80 Ų80109.3 Ų109.342%0.41954%0.543SS..Hα-helixtrans-64.3-44.7174.2-75.8172.2000111.5F127 V128 I133 S134 I135F127-L131 HydrophobicContact CD1-CD1 3.81Å; F127-L131 HydrophobicContact CD1-CG 4.49Å; F127-L131 HydrophobicContact CE1-CD1 3.41Å; F127-L131 VanDerWaalsContact CE1-CD1 3.41Å; F127-L131 HydrophobicContact CE1-CG 4.18Å; F127-L131 HydrophobicContact CZ-CD1 4Å; F127-L131 HydrophobicContact CZ-CG 4.36Å; F127-L131 PolarHBondContact O-N 3.47Å; V128-L131 WeakPolarHBondContact O-CB 3.34Å; V128-L131 PolarHBondContact O-N 3.03Å; V128-L131 VanDerWaalsContact O-N 3.15Å; L131-I133 VanDerWaalsContact C-N 3.34Å; L131-I133 PolarHBondContact O-N 3.46Å; L131-S134 WeakPolarHBondContact O-CB 3.29Å; L131-S134 PolarHBondContact O-N 3.15Å; L131-S134 VanDerWaalsContact O-N 3.1Å; L131-I135 WeakPolarHBondContact O-CG1 3.45Å; L131-I135 PolarHBondContact O-N 2.9Å
132D94Very high90Very high98 Ų98111.4 Ų111.452%0.52455%0.548SS..Hα-helixtrans-60.7-43.1178.6-73.8-29000111.9V128 G129 S134 I135 A136V128-D132 PolarHBondContact O-N 3.43Å; G129-D132 PolarHBondContact O-N 2.82Å; D132-S134 VanDerWaalsContact C-N 3.32Å; D132-S134 PolarHBondContact O-N 3.38Å; D132-I135 PolarHBondContact O-N 3.11Å; D132-A136 WeakPolarHBondContact O-CB 3.4Å; D132-A136 PolarHBondContact O-N 3.33Å
133I95.6Very high90.7Very high120 Ų120116.5 Ų116.562%0.61556%0.56SS**Hα-helixtrans-61.4-43.1174.4-67.6165000110.6G129 L131 A136 R137G129-I133 WeakPolarHBondContact O-CD1 3.44Å; G129-I133 VanDerWaalsContact O-CG1 3.29Å; G129-I133 WeakPolarHBondContact O-CG1 3.39Å; G129-I133 PolarHBondContact O-N 2.82Å; G129-I133 VanDerWaalsContact O-N 3.11Å; L131-I133 VanDerWaalsContact C-N 3.34Å; L131-I133 PolarHBondContact O-N 3.46Å; I133-A136 PolarHBondContact O-N 3.34Å; I133-R137 WeakPolarHBondContact O-CB 3.37Å; I133-R137 PolarHBondContact O-N 2.9Å
134S95.2Very high91.4Very high62 Ų62112.6 Ų112.643%0.43455%0.549SS..Hα-helixtrans-65-44.3179.6-59.60000111.5Q130 L131 D132 R137 L138Q130-S134 WeakPolarHBondContact O-CB 3.5Å; Q130-S134 PolarHBondContact O-N 3.42Å; Q130-S134 PolarHBondContact O-OG 3.16Å; L131-S134 WeakPolarHBondContact O-CB 3.29Å; L131-S134 PolarHBondContact O-N 3.15Å; L131-S134 VanDerWaalsContact O-N 3.1Å; D132-S134 VanDerWaalsContact C-N 3.32Å; D132-S134 PolarHBondContact O-N 3.38Å; S134-R137 PolarHBondContact O-N 3.11Å; S134-L138 WeakPolarHBondContact O-CB 3.43Å; S134-L138 VanDerWaalsContact O-CG 3.31Å; S134-L138 WeakPolarHBondContact O-CG 3.48Å; S134-L138 PolarHBondContact O-N 3.49Å
135I95.9Very high91.6Very high78 Ų78108 Ų10840%0.454%0.538SS..Hα-helixtrans-62.2-43.9175.2-70.1168.7000110.5L131 D132 R137 L138 K139L131-I135 WeakPolarHBondContact O-CG1 3.45Å; L131-I135 PolarHBondContact O-N 2.9Å; D132-I135 PolarHBondContact O-N 3.11Å; I135-R137 PolarHBondContact O-N 2.88Å; I135-L138 PolarHBondContact O-N 3.32Å; I135-K139 HydrophobicContact CG2-CD 4.03Å; I135-K139 HydrophobicContact CG2-CG 4.41Å; I135-K139 WeakPolarHBondContact O-CB 3.31Å; I135-K139 VanDerWaalsContact O-CG 3.31Å; I135-K139 WeakPolarHBondContact O-CG 3.42Å; I135-K139 PolarHBondContact O-N 3.35Å
136A95.3Very high91.4Very high52 Ų52101.3 Ų101.343%0.4352%0.515SS..Hα-helixtrans-61-44.9177.200000111.3D132 I133 L138 K139 T140D132-A136 WeakPolarHBondContact O-CB 3.4Å; D132-A136 PolarHBondContact O-N 3.33Å; I133-A136 PolarHBondContact O-N 3.34Å; A136-L138 PolarHBondContact O-N 2.9Å; A136-K139 PolarHBondContact O-N 2.87Å; A136-T140 PolarHBondContact O-N 3.4Å; A136-T140 PolarHBondContact O-OG1 3.38Å; A136-T140 VanDerWaalsContact O-OG1 3.11Å
137R95.3Very high91.1Very high193 Ų19397.5 Ų97.573%0.72850%0.503SS*.Hα-helixtrans-62.7-43176.8-172.5176.6-179.8174.70.6112.2I133 S134 I135 T140 S141I133-R137 WeakPolarHBondContact O-CB 3.37Å; I133-R137 PolarHBondContact O-N 2.9Å; S134-R137 PolarHBondContact O-N 3.11Å; I135-R137 PolarHBondContact O-N 2.88Å; R137-T140 PolarHBondContact O-N 3.5Å; R137-S141 WeakPolarHBondContact O-CB 3.31Å; R137-S141 PolarHBondContact O-N 2.98Å; R137-S141 PolarHBondContact O-OG 3.46Å
138L94.9Very high90.8Very high113 Ų11396.4 Ų96.459%0.59251%0.505SS*.Hα-helixtrans-62.7-44.9175.8-74171.1000111.5S134 I135 A136 T140 S141 M142S134-L138 WeakPolarHBondContact O-CB 3.43Å; S134-L138 VanDerWaalsContact O-CG 3.31Å; S134-L138 WeakPolarHBondContact O-CG 3.48Å; S134-L138 PolarHBondContact O-N 3.49Å; I135-L138 PolarHBondContact O-N 3.32Å; A136-L138 PolarHBondContact O-N 2.9Å; L138-T140 PolarHBondContact O-N 2.94Å; L138-S141 PolarHBondContact O-N 3.09Å; L138-M142 WeakPolarHBondContact O-CB 3.28Å; L138-M142 WeakPolarHBondContact O-CG 3.4Å; L138-M142 PolarHBondContact O-N 2.85Å
139K93.8Very high90.2Very high142 Ų14298.4 Ų98.462%0.61751%0.513SS*.Hα-helixtrans-58.8-45.5176.3-76.7174.2178.91760112I135 A136 M142 K143I135-K139 HydrophobicContact CG2-CD 4.03Å; I135-K139 HydrophobicContact CG2-CG 4.41Å; I135-K139 WeakPolarHBondContact O-CB 3.31Å; I135-K139 VanDerWaalsContact O-CG 3.31Å; I135-K139 WeakPolarHBondContact O-CG 3.42Å; I135-K139 PolarHBondContact O-N 3.35Å; A136-K139 PolarHBondContact O-N 2.87Å; K139-M142 PolarHBondContact O-N 3.02Å; K139-K143 WeakPolarHBondContact O-CB 3.46Å; K139-K143 PolarHBondContact O-N 3.25Å
140T93.6Very high89.6Confident99 Ų9998.3 Ų98.361%0.60751%0.509SS*.Hα-helixtrans-63.6-43.6177.3-59.10000111.5A136 R137 L138 K143 F144A136-T140 PolarHBondContact O-N 3.4Å; A136-T140 PolarHBondContact O-OG1 3.38Å; A136-T140 VanDerWaalsContact O-OG1 3.11Å; R137-T140 PolarHBondContact O-N 3.5Å; L138-T140 PolarHBondContact O-N 2.94Å; T140-K143 WeakPolarHBondContact O-CB 3.44Å; T140-K143 PolarHBondContact O-N 3.33Å; T140-F144 PolarHBondContact O-N 2.91Å
141S93.1Very high89.2Confident59 Ų5993.1 Ų93.141%0.41349%0.489SS..Hα-helixtrans-64.1-44.3178.9-540000111.3R137 L138 K143 F144 V145R137-S141 WeakPolarHBondContact O-CB 3.31Å; R137-S141 PolarHBondContact O-N 2.98Å; R137-S141 PolarHBondContact O-OG 3.46Å; L138-S141 PolarHBondContact O-N 3.09Å; S141-K143 VanDerWaalsContact C-N 3.33Å; S141-K143 PolarHBondContact O-N 3.15Å; S141-F144 WeakPolarHBondContact O-CB 3.33Å; S141-F144 PolarHBondContact O-N 3.24Å; S141-V145 WeakPolarHBondContact O-CG2 3.49Å; S141-V145 PolarHBondContact O-N 2.91Å
142M90.1Very high88.9Confident114 Ų11490.8 Ų90.856%0.56248%0.477SS*.Hα-helixtrans-62-40.1174.3-77.3-174.169.400112.3L138 K139 F144 V145 K146L138-M142 WeakPolarHBondContact O-CB 3.28Å; L138-M142 WeakPolarHBondContact O-CG 3.4Å; L138-M142 PolarHBondContact O-N 2.85Å; K139-M142 PolarHBondContact O-N 3.02Å; M142-F144 VanDerWaalsContact C-N 3.31Å; M142-F144 PolarHBondContact O-N 3.44Å; M142-V145 PolarHBondContact O-N 2.97Å; M142-K146 WeakPolarHBondContact O-CB 3.47Å; M142-K146 WeakPolarHBondContact O-CG 3.47Å; M142-K146 PolarHBondContact O-N 3.26Å
143K87.6Confident88.7Confident140 Ų14089.8 Ų89.861%0.60947%0.465SS*.Hα-helixtrans-61.5-40.8176.4-173.9179.1-179.9-1790111.5K139 T140 S141 N147K139-K143 WeakPolarHBondContact O-CB 3.46Å; K139-K143 PolarHBondContact O-N 3.25Å; T140-K143 WeakPolarHBondContact O-CB 3.44Å; T140-K143 PolarHBondContact O-N 3.33Å; S141-K143 VanDerWaalsContact C-N 3.33Å; S141-K143 PolarHBondContact O-N 3.15Å; K143-N147 WeakPolarHBondContact O-CB 3.47Å; K143-N147 VanDerWaalsContact O-CG 3.31Å; K143-N147 PolarHBondContact O-N 2.96Å
144F88.6Confident88.3Confident113 Ų11387.8 Ų87.850%0.49645%0.454SS..Hα-helixtrans-62.2-50.3174.6177.5-95.8000111.6T140 S141 M142 K146 N147 V148 I149T140-F144 PolarHBondContact O-N 2.91Å; S141-F144 WeakPolarHBondContact O-CB 3.33Å; S141-F144 PolarHBondContact O-N 3.24Å; M142-F144 VanDerWaalsContact C-N 3.31Å; M142-F144 PolarHBondContact O-N 3.44Å; F144-K146 VanDerWaalsContact C-N 3.34Å; F144-K146 PolarHBondContact O-N 3.01Å; F144-N147 PolarHBondContact O-N 3.47Å; F144-V148 HydrophobicContact CD2-CB 4.07Å; F144-V148 HydrophobicContact CD2-CG2 3.67Å; F144-V148 HydrophobicContact CE2-CB 3.86Å; F144-V148 HydrophobicContact CE2-CG1 3.86Å; F144-V148 HydrophobicContact CE2-CG2 3.74Å; F144-V148 HydrophobicContact CG-CG2 4.41Å; F144-V148 HydrophobicContact CZ-CB 4.14Å; F144-V148 HydrophobicContact CZ-CG1 3.95Å; F144-V148 WeakPolarHBondContact O-CB 3.44Å; F144-V148 PolarHBondContact O-N 2.78Å; F144-I149 HydrophobicContact CD1-CD1 4.28Å; F144-I149 HydrophobicContact CD1-CG1 4.43Å; F144-I149 HydrophobicContact CE1-CD1 3.94Å; F144-I149 HydrophobicContact CE1-CG1 4.02Å
145V85.9Confident88Confident72 Ų7287 Ų8744%0.43645%0.446SS..Iπ-helixtrans-59.2-45.7179.21750000111.2S141 M142 I149 A150S141-V145 WeakPolarHBondContact O-CG2 3.49Å; S141-V145 PolarHBondContact O-N 2.91Å; M142-V145 PolarHBondContact O-N 2.97Å; V145-I149 HydrophobicContact CB-CD1 4.49Å; V145-I149 HydrophobicContact CG2-CD1 4.13Å; V145-I149 WeakPolarHBondContact O-CB 3.33Å; V145-I149 PolarHBondContact O-N 3.23Å; V145-A150 PolarHBondContact O-N 3.04Å
146K81.9Confident87.5Confident71 Ų7192.3 Ų92.331%0.30947%0.469SS..Iπ-helixtrans-61.4-47.9179.4-76.8-177.4167.4-155.90112.8M142 F144 G151 I152 E154M142-K146 WeakPolarHBondContact O-CB 3.47Å; M142-K146 WeakPolarHBondContact O-CG 3.47Å; M142-K146 PolarHBondContact O-N 3.26Å; F144-K146 VanDerWaalsContact C-N 3.34Å; F144-K146 PolarHBondContact O-N 3.01Å; K146-G151 PolarHBondContact O-N 3.25Å; K146-G151 VanDerWaalsContact O-N 3.11Å; K146-I152 PolarHBondContact O-N 3.43Å; K146-E154 IonicContact NZ-OE1 3.54Å; K146-E154 PolarHBondContact NZ-OE1 2.95Å
147N79.9Confident87.3Confident86 Ų8695.1 Ų95.146%0.4647%0.474SS..Iπ-helixtrans-86.8-40.8-169.5-66-0.9000113K143 F144K143-N147 WeakPolarHBondContact O-CB 3.47Å; K143-N147 VanDerWaalsContact O-CG 3.31Å; K143-N147 PolarHBondContact O-N 2.96Å; F144-N147 PolarHBondContact O-N 3.47Å
148V79.3Confident87.3Confident99 Ų9988 Ų8860%0.645%0.448SS*.Iπ-helixtrans-94.6-43-171-176.40000111.4F144F144-V148 HydrophobicContact CD2-CB 4.07Å; F144-V148 HydrophobicContact CD2-CG2 3.67Å; F144-V148 HydrophobicContact CE2-CB 3.86Å; F144-V148 HydrophobicContact CE2-CG1 3.86Å; F144-V148 HydrophobicContact CE2-CG2 3.74Å; F144-V148 HydrophobicContact CG-CG2 4.41Å; F144-V148 HydrophobicContact CZ-CB 4.14Å; F144-V148 HydrophobicContact CZ-CG1 3.95Å; F144-V148 WeakPolarHBondContact O-CB 3.44Å; F144-V148 PolarHBondContact O-N 2.78Å
149I78.5Confident87.2Confident119 Ų11985.6 Ų85.661%0.6143%0.433SS*.Iπ-helixtrans-87.7-54.2-175.6-53.2-178.1000110.5F144 V145F144-I149 HydrophobicContact CD1-CD1 4.28Å; F144-I149 HydrophobicContact CD1-CG1 4.43Å; F144-I149 HydrophobicContact CE1-CD1 3.94Å; F144-I149 HydrophobicContact CE1-CG1 4.02Å; V145-I149 HydrophobicContact CB-CD1 4.49Å; V145-I149 HydrophobicContact CG2-CD1 4.13Å; V145-I149 WeakPolarHBondContact O-CB 3.33Å; V145-I149 PolarHBondContact O-N 3.23Å
150A77.7Confident87.3Confident28 Ų2879 Ų7923%0.23140%0.404CS..SBendtrans-88.7-14.3-17300000113.7V145 I152 Y161 Y198V145-A150 PolarHBondContact O-N 3.04Å; A150-I152 HydrophobicContact CB-CD1 3.75Å; A150-I152 HydrophobicContact CB-CG1 3.72Å; A150-I152 PolarHBondContact O-N 3.36Å; A150-Y161 HydrophobicContact CB-CE2 4.44Å; A150-Y198 PolarHBondContact O-OH 3.45Å
151G82.4Confident87.3Confident17 Ų1778 Ų7818%0.17539%0.39CS..  trans62.69.8-179.500000115.4K146 R153 Y198K146-G151 PolarHBondContact O-N 3.25Å; K146-G151 VanDerWaalsContact O-N 3.11Å; G151-R153 PolarHBondContact O-N 3.44Å; G151-R153 PolarHBondContact O-NH1 3.25Å; G151-Y198 VanDerWaalsContact C-OH 3.25Å; G151-Y198 WeakPolarHBondContact O-CE2 3.45Å; G151-Y198 PolarHBondContact O-OH 3.49Å
152I88.3Confident87.5Confident32 Ų3275.4 Ų75.416%0.16437%0.371CS..  trans-54.6134.1-169.3-63.5166.8000110.8K146 A150 E154 F159 Y161K146-I152 PolarHBondContact O-N 3.43Å; A150-I152 HydrophobicContact CB-CD1 3.75Å; A150-I152 HydrophobicContact CB-CG1 3.72Å; A150-I152 PolarHBondContact O-N 3.36Å; I152-E154 HydrophobicContact CG2-CG 3.97Å; I152-F159 HydrophobicContact CG2-CB 4.04Å; I152-F159 HydrophobicContact CG2-CD2 4.06Å; I152-F159 HydrophobicContact CG2-CG 4.45Å; I152-Y161 HydrophobicContact CG1-CD2 3.94Å
153R89.2Confident87.7Confident76 Ų7670 Ų7029%0.28735%0.345SS..EExtended strand (participates in β ladder)trans-102.5132.5171.8-66.9-65.1-177.7-93.5-0.2109.7G151 F159 Y160 L194 Y198G151-R153 PolarHBondContact O-N 3.44Å; G151-R153 PolarHBondContact O-NH1 3.25Å; R153-F159 CarbonylContact O-C 3.39Å; R153-F159 VanDerWaalsContact O-CA 3.23Å; R153-F159 WeakPolarHBondContact O-CA 3.46Å; R153-Y160 PolarHBondContact N-O 3Å; R153-Y160 PolarHBondContact O-N 3.45Å; R153-L194 HydrophobicContact CB-CD2 3.99Å; R153-Y198 HydrophobicContact CB-CD1 4.06Å; R153-Y198 HydrophobicContact CB-CE1 4.36Å; R153-Y198 HydrophobicContact CB-CG 4.34Å; R153-Y198 HydrophobicContact CG-CD1 3.58Å; R153-Y198 HydrophobicContact CG-CD2 3.65Å; R153-Y198 HydrophobicContact CG-CE1 4Å; R153-Y198 HydrophobicContact CG-CE2 4.11Å; R153-Y198 HydrophobicContact CG-CG 3.39Å
154E88.1Confident88Confident79 Ų7969.9 Ų69.937%0.36935%0.346SS..EExtended strand (participates in β ladder)trans-123.2137.8-176.2-60.4-164.6-171.900110.5K146 I152 F159 K274K146-E154 IonicContact NZ-OE1 3.54Å; K146-E154 PolarHBondContact NZ-OE1 2.95Å; I152-E154 HydrophobicContact CG2-CG 3.97Å; E154-F159 HydrophobicContact CB-CB 4.38Å; E154-F159 HydrophobicContact CG-CB 3.83Å; E154-K274 WeakPolarHBondContact OE2-CE 3.41Å; E154-K274 IonicContact OE2-NZ 3.44Å; E154-K274 PolarHBondContact OE2-NZ 3.44Å
155T89Confident88.4Confident45 Ų4569 Ų6928%0.27634%0.343SS..  trans-105.1-176.1163.467.80000109.3E157 K158 Y160 L194 K274T155-E157 VanDerWaalsContact C-N 3.26Å; T155-E157 PolarHBondContact O-N 3.17Å; T155-E157 PolarHBondContact OG1-N 3.46Å; T155-K158 PolarHBondContact N-O 3.11Å; T155-K158 PolarHBondContact OG1-N 2.98Å; T155-K158 PolarHBondContact OG1-O 2.94Å; T155-Y160 HydrophobicContact CG2-CE2 4.01Å; T155-L194 HydrophobicContact CG2-CD1 3.55Å; T155-K274 VanDerWaalsContact O-CE 3.29Å; T155-K274 WeakPolarHBondContact O-CE 3.4Å; T155-K274 PolarHBondContact O-NZ 3.06Å
156E86.3Confident88.9Confident189 Ų18970.9 Ų70.988%0.88335%0.348SS*.SBendtrans-63.2-35.9174.3-63.2-171170.100112.1K274E156-K274 WeakPolarHBondContact O-CD 3.3Å
157E90.5Very high89.7Confident112 Ų11269.5 Ų69.552%0.52334%0.342SS..SBendtrans-106.6-20.8-172.3-57.2-161.9140.800114.1T155 K274 K276T155-E157 VanDerWaalsContact C-N 3.26Å; T155-E157 PolarHBondContact O-N 3.17Å; T155-E157 PolarHBondContact OG1-N 3.46Å; E157-K274 WeakPolarHBondContact O-CB 3.33Å; E157-K274 PolarHBondContact O-N 2.84Å; E157-K276 IonicContact OE1-NZ 3.06Å
158K93.9Very high90.6Very high44 Ų4467.3 Ų67.319%0.19133%0.33CS..EExtended strand (participates in β ladder)trans-139.3163.8-170.1-61.8173.7176.5-167.30112.3T155 Y160 E271 F272 K274T155-K158 PolarHBondContact N-O 3.11Å; T155-K158 PolarHBondContact OG1-N 2.98Å; T155-K158 PolarHBondContact OG1-O 2.94Å; K158-Y160 HydrophobicContact CB-CE2 4.44Å; K158-E271 HydrophobicContact CB-CG 4.49Å; K158-E271 HydrophobicContact CD-CG 4.08Å; K158-E271 VanDerWaalsContact CD-OE1 3.23Å; K158-E271 WeakPolarHBondContact CD-OE1 3.31Å; K158-E271 WeakPolarHBondContact CE-OE1 3.39Å; K158-E271 IonicContact NZ-OE1 3.83Å; K158-E271 PolarHBondContact NZ-OE1 3.11Å; K158-E271 IonicContact NZ-OE2 2.84Å; K158-F272 CarbonylContact C-O 3.53Å; K158-F272 WeakPolarHBondContact CA-O 3.14Å; K158-K274 WeakPolarHBondContact O-CE 3.48Å
159F93.6Very high91.4Very high61 Ų6162.7 Ų62.727%0.26830%0.302SS..EExtended strand (participates in β ladder)trans-135.4148.3162.866.2-89.5000111.3I152 R153 E154 F272 K274I152-F159 HydrophobicContact CG2-CB 4.04Å; I152-F159 HydrophobicContact CG2-CD2 4.06Å; I152-F159 HydrophobicContact CG2-CG 4.45Å; R153-F159 CarbonylContact O-C 3.39Å; R153-F159 VanDerWaalsContact O-CA 3.23Å; R153-F159 WeakPolarHBondContact O-CA 3.46Å; E154-F159 HydrophobicContact CB-CB 4.38Å; E154-F159 HydrophobicContact CG-CB 3.83Å; F159-F272 HydrophobicContact CD1-CB 3.72Å; F159-F272 HydrophobicContact CD2-CB 3.92Å; F159-F272 AromaticContact CD2-CD2 3.64Å; F159-F272 HydrophobicContact CD2-CD2 3.64Å; F159-F272 HydrophobicContact CD2-CG 4.07Å; F159-F272 HydrophobicContact CE1-CB 3.26Å; F159-F272 HydrophobicContact CE1-CG 4.03Å; F159-F272 HydrophobicContact CE2-CB 3.49Å; F159-F272 VanDerWaalsContact CE2-CB 3.49Å; F159-F272 HydrophobicContact CE2-CD1 4.22Å; F159-F272 AromaticContact CE2-CD2 3.17Å; F159-F272 HydrophobicContact CE2-CD2 3.17Å; F159-F272 AromaticContact CE2-CE2 3.9Å; F159-F272 HydrophobicContact CE2-CE2 3.9Å; F159-F272 AromaticContact CE2-CG 3.37Å; F159-F272 HydrophobicContact CE2-CG 3.37Å; F159-F272 HydrophobicContact CG-CB 4.04Å; F159-F272 HydrophobicContact CZ-CB 3.14Å; F159-F272 AromaticContact CZ-CD1 3.98Å; F159-F272 HydrophobicContact CZ-CD1 3.98Å; F159-F272 AromaticContact CZ-CD2 3.72Å; F159-F272 HydrophobicContact CZ-CD2 3.72Å; F159-F272 AromaticContact CZ-CG 3.35Å; F159-F272 HydrophobicContact CZ-CG 3.35Å; F159-F272 PolarHBondContact N-O 3.11Å; F159-F272 PolarHBondContact O-N 3.07Å; F159-K274 HydrophobicContact CD1-CG 4.21Å
160Y95.7Very high92.4Very high4 Ų466.6 Ų66.62%0.01631%0.309CS..EExtended strand (participates in β ladder)trans-118.4138.3-175.9-57.2-82.5000110.1R153 T155 K158 A184 L194 I195 C270 E271R153-Y160 PolarHBondContact N-O 3Å; R153-Y160 PolarHBondContact O-N 3.45Å; T155-Y160 HydrophobicContact CG2-CE2 4.01Å; K158-Y160 HydrophobicContact CB-CE2 4.44Å; Y160-A184 HydrophobicContact CD1-CB 4.06Å; Y160-A184 HydrophobicContact CE1-CB 4.25Å; Y160-L194 HydrophobicContact CD2-CD2 3.47Å; Y160-L194 VanDerWaalsContact CD2-CD2 3.47Å; Y160-L194 HydrophobicContact CE2-CD2 3.71Å; Y160-L194 HydrophobicContact CG-CD2 4.33Å; Y160-I195 HydrophobicContact CD1-CD1 4.13Å; Y160-I195 HydrophobicContact CD1-CG1 3.99Å; Y160-I195 HydrophobicContact CE1-CD1 3.76Å; Y160-I195 HydrophobicContact CE1-CG1 4Å; Y160-I195 HydrophobicContact CG-CG1 4.31Å; Y160-C270 VanDerWaalsContact CA-O 3.31Å; Y160-C270 WeakPolarHBondContact CA-O 3.27Å; Y160-E271 HydrophobicContact CD1-CB 3.88Å; Y160-E271 HydrophobicContact CD1-CG 4.14Å; Y160-E271 HydrophobicContact CE1-CB 3.82Å; Y160-E271 HydrophobicContact CE1-CG 3.68Å; Y160-E271 WeakPolarHBondContact CE1-OE2 3.33Å
161Y94.9Very high93.3Very high79 Ų7969.9 Ų69.931%0.3132%0.319SS..EExtended strand (participates in β ladder)trans-137.6122.4-179.5175.9-113.6000109.8A150 I152 V163 C270A150-Y161 HydrophobicContact CB-CE2 4.44Å; I152-Y161 HydrophobicContact CG1-CD2 3.94Å; Y161-V163 HydrophobicContact CD1-CG2 3.86Å; Y161-V163 HydrophobicContact CE1-CG2 3.84Å; Y161-C270 PolarHBondContact N-O 2.77Å; Y161-C270 PolarHBondContact O-N 3.31Å
162I95.5Very high94.1Very high3 Ų369 Ų692%0.01531%0.311CS..EExtended strand (participates in β ladder)trans-81.1122.7173.1-64.4164000107.5Y198 V199 F204 V269I162-Y198 HydrophobicContact CB-CE1 4.3Å; I162-Y198 HydrophobicContact CD1-CD1 3.7Å; I162-Y198 HydrophobicContact CD1-CD2 3.72Å; I162-Y198 HydrophobicContact CD1-CE1 3.69Å; I162-Y198 HydrophobicContact CD1-CE2 3.65Å; I162-Y198 HydrophobicContact CD1-CG 3.72Å; I162-Y198 HydrophobicContact CG1-CD1 3.83Å; I162-Y198 HydrophobicContact CG1-CE1 3.52Å; I162-Y198 HydrophobicContact CG1-CE2 4.31Å; I162-Y198 HydrophobicContact CG1-CG 4.37Å; I162-Y198 PolarHBondContact N-OH 2.71Å; I162-V199 HydrophobicContact CD1-CG2 4.34Å; I162-F204 HydrophobicContact CB-CE2 4.48Å; I162-F204 HydrophobicContact CD1-CD2 4.06Å; I162-F204 HydrophobicContact CD1-CE2 4.28Å; I162-F204 HydrophobicContact CG2-CD2 3.92Å; I162-F204 HydrophobicContact CG2-CE2 3.62Å; I162-F204 HydrophobicContact CG2-CZ 4.26Å; I162-V269 HydrophobicContact CG1-CG1 4.46Å; I162-V269 HydrophobicContact CG1-CG2 4.05Å
163V95.7Very high94.5Very high2 Ų268.5 Ų68.51%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-87.6115.1174.2-176.50000108.1Y161 E165 H175 Y267 F268Y161-V163 HydrophobicContact CD1-CG2 3.86Å; Y161-V163 HydrophobicContact CE1-CG2 3.84Å; V163-E165 HydrophobicContact CG1-CB 4.03Å; V163-E165 HydrophobicContact CG1-CG 4.25Å; V163-E165 PolarHBondContact O-N 3.44Å; V163-H175 VanDerWaalsContact CG1-CE1 3.47Å; V163-H175 WeakPolarHBondContact CG1-CE1 3.4Å; V163-Y267 WeakPolarHBondContact O-CD1 3.46Å; V163-F268 HydrophobicContact CB-CD1 4.23Å; V163-F268 HydrophobicContact CB-CD2 4.05Å; V163-F268 HydrophobicContact CB-CE1 3.83Å; V163-F268 HydrophobicContact CB-CE2 3.66Å; V163-F268 HydrophobicContact CB-CG 4.33Å; V163-F268 HydrophobicContact CB-CZ 3.54Å; V163-F268 HydrophobicContact CG1-CE1 3.77Å; V163-F268 HydrophobicContact CG1-CE2 4.08Å; V163-F268 HydrophobicContact CG1-CZ 3.47Å; V163-F268 VanDerWaalsContact CG1-CZ 3.47Å; V163-F268 HydrophobicContact CG2-CD2 4Å; V163-F268 HydrophobicContact CG2-CE2 3.49Å; V163-F268 VanDerWaalsContact CG2-CE2 3.49Å; V163-F268 HydrophobicContact CG2-CZ 3.82Å; V163-F268 PolarHBondContact N-O 2.71Å
164Q94.2Very high94.9Very high136 Ų13668.2 Ų68.264%0.63632%0.315SS*.EExtended strand (participates in β ladder)trans-85.245179.7-54.4-171.4-0.800111.6F204 Y267Q164-F204 HydrophobicContact CG-CE2 4.38Å; Q164-F204 HydrophobicContact CG-CZ 3.73Å; Q164-Y267 VanDerWaalsContact C-CD1 3.49Å; Q164-Y267 HydrophobicContact CB-CE1 4.41Å
165E95.3Very high95.4Very high94 Ų9465.3 Ų65.344%0.43930%0.301SS..EExtended strand (participates in β ladder)trans-129.5123.8172.5-63.9177-152.300108.1V163 K167 F268V163-E165 HydrophobicContact CG1-CB 4.03Å; V163-E165 HydrophobicContact CG1-CG 4.25Å; V163-E165 PolarHBondContact O-N 3.44Å; E165-K167 PolarHBondContact O-N 3.19Å; E165-K167 WeakPolarHBondContact OE2-CE 3.42Å; E165-K167 IonicContact OE2-NZ 2.71Å; E165-K167 PolarHBondContact OE2-NZ 3.43Å; E165-F268 WeakPolarHBondContact O-CE1 3.41Å
166E97.1Very high95.8Very high113 Ų11363.1 Ų63.153%0.52829%0.288SS..EExtended strand (participates in β ladder)trans-70.8126.2176.7-64.7-177.9-169.300110.2M266 Y267E166-M266 WeakPolarHBondContact CA-O 3.47Å; E166-Y267 HydrophobicContact CG-CD1 4.11Å; E166-Y267 HydrophobicContact CG-CE1 3.73Å; E166-Y267 HydrophobicContact CG-CE2 4.42Å
167K98.3Very high96.3Very high42 Ų4260.4 Ų60.418%0.18327%0.27CS..EExtended strand (participates in β ladder)trans-145.4155.4179.6-65.4-168.3-163.2-550109.9E165 E171 H175 F208 T265 M266 F268E165-K167 PolarHBondContact O-N 3.19Å; E165-K167 WeakPolarHBondContact OE2-CE 3.42Å; E165-K167 IonicContact OE2-NZ 2.71Å; E165-K167 PolarHBondContact OE2-NZ 3.43Å; K167-E171 HydrophobicContact CB-CB 3.87Å; K167-E171 HydrophobicContact CD-CB 4.06Å; K167-E171 HydrophobicContact CG-CB 4.37Å; K167-H175 HydrophobicContact CD-CB 4.47Å; K167-F208 WeakPolarHBondContact O-CE2 3.47Å; K167-T265 WeakPolarHBondContact O-CA 3.29Å; K167-M266 PolarHBondContact N-O 2.79Å; K167-M266 VanDerWaalsContact N-O 3.12Å; K167-M266 PolarHBondContact O-N 3.43Å; K167-M266 VanDerWaalsContact O-N 3.17Å; K167-F268 HydrophobicContact CB-CD1 4.42Å; K167-F268 HydrophobicContact CB-CE1 3.93Å; K167-F268 HydrophobicContact CD-CE1 3.87Å; K167-F268 HydrophobicContact CD-CZ 4.05Å; K167-F268 HydrophobicContact CG-CE1 3.95Å
168N98.3Very high96.6Very high39 Ų3961.1 Ų61.121%0.20928%0.276CS..  trans-71.7170.3169.965.151.7000110.9R170 E171 S172 L264 T265N168-R170 VanDerWaalsContact C-N 3.33Å; N168-R170 PolarHBondContact O-N 3.32Å; N168-R170 PolarHBondContact OD1-N 3.31Å; N168-E171 PolarHBondContact N-OE2 3.04Å; N168-E171 VanDerWaalsContact ND2-CD 3.3Å; N168-E171 PolarHBondContact ND2-OE2 2.91Å; N168-E171 PolarHBondContact O-N 2.92Å; N168-E171 WeakPolarHBondContact OD1-CB 3.16Å; N168-E171 WeakPolarHBondContact OD1-CG 3.43Å; N168-E171 PolarHBondContact OD1-N 3.25Å; N168-S172 WeakPolarHBondContact O-CB 3.25Å; N168-S172 PolarHBondContact O-N 2.75Å; N168-S172 PolarHBondContact O-OG 2.91Å; N168-L264 WeakPolarHBondContact CA-O 3.41Å; N168-T265 HydrophobicContact CB-CG2 4.42Å
169Y98.1Very high96.7Very high3 Ų365 Ų651%0.01229%0.289CS..Hα-helixtrans-59.6-43.3-174.1-168-99.2000112.8E171 S172 L173 L183 F208 I209 V211 N212 L214 C248 C262Y169-E171 PolarHBondContact O-N 2.83Å; Y169-S172 WeakPolarHBondContact O-CB 3.2Å; Y169-S172 PolarHBondContact O-N 3.27Å; Y169-L173 HydrophobicContact CD1-CD1 3.67Å; Y169-L173 HydrophobicContact CD1-CG 4.06Å; Y169-L173 HydrophobicContact CE1-CD1 3.55Å; Y169-L173 HydrophobicContact CE1-CD2 4.23Å; Y169-L173 HydrophobicContact CE1-CG 3.89Å; Y169-L173 WeakPolarHBondContact O-CG 3.43Å; Y169-L173 PolarHBondContact O-N 3.48Å; Y169-L183 HydrophobicContact CD2-CD1 4.22Å; Y169-L183 HydrophobicContact CE1-CD1 4.42Å; Y169-L183 HydrophobicContact CE2-CD1 3.76Å; Y169-F208 HydrophobicContact CD2-CB 4.32Å; Y169-F208 AromaticContact CD2-CD1 3.65Å; Y169-F208 HydrophobicContact CD2-CD1 3.65Å; Y169-F208 HydrophobicContact CD2-CD2 4.43Å; Y169-F208 AromaticContact CD2-CE1 3.95Å; Y169-F208 HydrophobicContact CD2-CE1 3.95Å; Y169-F208 AromaticContact CD2-CG 3.91Å; Y169-F208 HydrophobicContact CD2-CG 3.91Å; Y169-F208 HydrophobicContact CD2-CZ 4.45Å; Y169-F208 HydrophobicContact CE2-CD1 4.28Å; Y169-I209 VanDerWaalsContact CE2-O 3.29Å; Y169-I209 WeakPolarHBondContact CE2-O 3.32Å; Y169-I209 PolarHBondContact OH-O 3.24Å; Y169-V211 PolarHBondContact OH-N 3.33Å; Y169-V211 PolarHBondContact OH-O 2.76Å; Y169-N212 HydrophobicContact CE1-CB 4.05Å; Y169-N212 PolarHBondContact OH-ND2 3.02Å; Y169-L214 HydrophobicContact CD1-CD1 4.35Å; Y169-L214 HydrophobicContact CE1-CD1 4.21Å; Y169-C248 WeakPolarHBondContact CB-SG 3.44Å; Y169-C248 HydrophobicContact CD1-CB 4.49Å; Y169-C248 WeakPolarHBondContact CD1-SG 3.24Å; Y169-C248 HydrophobicContact CD2-CB 3.75Å; Y169-C248 VanDerWaalsContact CD2-SG 3.59Å; Y169-C248 HydrophobicContact CE2-CB 4.08Å; Y169-C248 HydrophobicContact CG-CB 3.97Å; Y169-C262 WeakPolarHBondContact CB-O 3.03Å; Y169-C262 PolarHBondContact N-O 2.79Å; Y169-C262 VanDerWaalsContact N-O 3.09Å
170R97.5Very high96.7Very high201 Ų20165.3 Ų65.376%0.75831%0.31SS*.Hα-helixtrans-65-41.3-179.1-177.2175.7-178.9141.10.9112.6N168 T174N168-R170 VanDerWaalsContact C-N 3.33Å; N168-R170 PolarHBondContact O-N 3.32Å; N168-R170 PolarHBondContact OD1-N 3.31Å; R170-T174 PolarHBondContact O-N 3.37Å; R170-T174 VanDerWaalsContact O-N 3.17Å; R170-T174 PolarHBondContact O-OG1 2.9Å
171E98.3Very high96.8Very high96 Ų9665.5 Ų65.545%0.44931%0.313SS..Hα-helixtrans-67-40.3175-74.4176.5162.700111.4K167 N168 Y169 T174 H175K167-E171 HydrophobicContact CB-CB 3.87Å; K167-E171 HydrophobicContact CD-CB 4.06Å; K167-E171 HydrophobicContact CG-CB 4.37Å; N168-E171 PolarHBondContact N-OE2 3.04Å; N168-E171 VanDerWaalsContact ND2-CD 3.3Å; N168-E171 PolarHBondContact ND2-OE2 2.91Å; N168-E171 PolarHBondContact O-N 2.92Å; N168-E171 WeakPolarHBondContact OD1-CB 3.16Å; N168-E171 WeakPolarHBondContact OD1-CG 3.43Å; N168-E171 PolarHBondContact OD1-N 3.25Å; Y169-E171 PolarHBondContact O-N 2.83Å; E171-T174 PolarHBondContact O-N 3.27Å; E171-H175 VanDerWaalsContact O-CB 3.28Å; E171-H175 WeakPolarHBondContact O-CB 3.49Å; E171-H175 PolarHBondContact O-N 3.5Å
172S98.1Very high96.9Very high0 Ų064.2 Ų64.20%031%0.31CS..Hα-helixtrans-61.9-45.5176.9-57.30000111.9N168 Y169 T174 H175 C176 F268N168-S172 WeakPolarHBondContact O-CB 3.25Å; N168-S172 PolarHBondContact O-N 2.75Å; N168-S172 PolarHBondContact O-OG 2.91Å; Y169-S172 WeakPolarHBondContact O-CB 3.2Å; Y169-S172 PolarHBondContact O-N 3.27Å; S172-T174 PolarHBondContact O-N 3.11Å; S172-H175 WeakPolarHBondContact O-CB 3.33Å; S172-H175 PolarHBondContact O-N 3.4Å; S172-C176 PolarHBondContact O-N 2.86Å; S172-C176 VanDerWaalsContact O-N 3.11Å; S172-F268 VanDerWaalsContact OG-CD1 3.25Å; S172-F268 WeakPolarHBondContact OG-CD1 3.33Å
173L97.3Very high97Very high20 Ų2064 Ų6411%0.10531%0.31CS..Hα-helixtrans-54.3-51171.9-77.6172.4000112Y169 H175 C176 R177 L183 T223Y169-L173 HydrophobicContact CD1-CD1 3.67Å; Y169-L173 HydrophobicContact CD1-CG 4.06Å; Y169-L173 HydrophobicContact CE1-CD1 3.55Å; Y169-L173 HydrophobicContact CE1-CD2 4.23Å; Y169-L173 HydrophobicContact CE1-CG 3.89Å; Y169-L173 WeakPolarHBondContact O-CG 3.43Å; Y169-L173 PolarHBondContact O-N 3.48Å; L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 3.33Å; L173-C176 PolarHBondContact O-N 3.05Å; L173-R177 WeakPolarHBondContact O-CB 3.42Å; L173-R177 WeakPolarHBondContact O-CG 3.37Å; L173-R177 PolarHBondContact O-N 2.91Å; L173-L183 HydrophobicContact CD2-CB 4.45Å; L173-L183 HydrophobicContact CD2-CD1 3.55Å; L173-L183 HydrophobicContact CD2-CG 4.02Å; L173-L183 HydrophobicContact CG-CD1 3.78Å; L173-L183 HydrophobicContact CG-CG 4.49Å; L173-T223 HydrophobicContact CD2-CG2 3.38Å
174T97.7Very high97.1Very high71 Ų7164 Ų6444%0.43631%0.309SS..Hα-helixtrans-63.3-41.2-178.9-56.30000110.5R170 E171 S172 C176 R177 I178R170-T174 PolarHBondContact O-N 3.37Å; R170-T174 VanDerWaalsContact O-N 3.17Å; R170-T174 PolarHBondContact O-OG1 2.9Å; E171-T174 PolarHBondContact O-N 3.27Å; S172-T174 PolarHBondContact O-N 3.11Å; T174-C176 PolarHBondContact O-N 3.02Å; T174-R177 PolarHBondContact O-N 2.04Å; T174-I178 HydrophobicContact CG2-CG2 4.16Å; T174-I178 WeakPolarHBondContact O-CG1 3.48Å; T174-I178 WeakPolarHBondContact O-CG2 3.48Å; T174-I178 PolarHBondContact O-N 2.93Å
175H97.8Very high97.2Very high17 Ų1757.9 Ų57.98%0.07928%0.281CS..Hα-helixtrans-61.4-42.1-179.1-174.3-83.6000113.2V163 K167 E171 S172 L173 I178 R179 F268V163-H175 VanDerWaalsContact CG1-CE1 3.47Å; V163-H175 WeakPolarHBondContact CG1-CE1 3.4Å; K167-H175 HydrophobicContact CD-CB 4.47Å; E171-H175 VanDerWaalsContact O-CB 3.28Å; E171-H175 WeakPolarHBondContact O-CB 3.49Å; E171-H175 PolarHBondContact O-N 3.5Å; S172-H175 WeakPolarHBondContact O-CB 3.33Å; S172-H175 PolarHBondContact O-N 3.4Å; L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 3.33Å; H175-I178 WeakPolarHBondContact O-CG1 3.28Å; H175-R179 PolarHBondContact CD2-NH1 2.9Å; H175-R179 PolarHBondContact CE1-NH1 2.9Å; H175-R179 PolarHBondContact CE1-NH2 2.85Å; H175-R179 VanDerWaalsContact CG-NH1 3.28Å; H175-R179 PolarHBondContact ND1-NH1 2.75Å; H175-R179 PolarHBondContact NE2-NH1 2.79Å; H175-R179 PolarHBondContact NE2-NH2 3.02Å; H175-R179 PolarHBondContact O-NH1 3.38Å; H175-F268 HydrophobicContact CB-CE2 3.89Å; H175-F268 HydrophobicContact CB-CZ 3.7Å; H175-F268 AromaticContact CG-CE2 3.87Å; H175-F268 AromaticContact CG-CZ 3.53Å; H175-F268 AromaticContact ND1-CE2 3.49Å; H175-F268 WeakPolarHBondContact ND1-CE2 3.4Å; H175-F268 AromaticContact ND1-CZ 3.43Å; H175-F268 WeakPolarHBondContact ND1-CZ 3.47Å
176C97.8Very high97.2Very high0 Ų053.4 Ų53.40%026%0.26CS..Hα-helixtrans-71-42.7174.2-57.70000111.3S172 L173 T174 I178 R179 G181 M182 C270S172-C176 PolarHBondContact O-N 2.86Å; S172-C176 VanDerWaalsContact O-N 3.11Å; L173-C176 PolarHBondContact O-N 3.05Å; T174-C176 PolarHBondContact O-N 3.02Å; C176-I178 PolarHBondContact O-N 3.35Å; C176-R179 PolarHBondContact O-N 2.91Å; C176-R179 VanDerWaalsContact O-N 3.16Å; C176-G181 CarbonylContact C-O 3.57Å; C176-G181 VanDerWaalsContact C-O 3.3Å; C176-G181 CarbonylContact O-C 3.42Å; C176-G181 WeakPolarHBondContact O-CA 3.11Å; C176-G181 PolarHBondContact O-N 3.46Å; C176-M182 VanDerWaalsContact CB-C 3.43Å; C176-M182 WeakPolarHBondContact CB-O 3.44Å; C176-C270 VanDerWaalsContact CA-SG 3.52Å; C176-C270 HydrophobicContact CB-CB 3.84Å; C176-C270 WeakPolarHBondContact CB-SG 3.08Å; C176-C270 WeakPolarHBondContact SG-CA 3.25Å; C176-C270 WeakPolarHBondContact SG-CB 3.31Å; C176-C270 CovalentContact SG-SG 2.04Å; C176-C270 PolarHBondContact SG-SG 2.91Å
177R96.9Very high97.1Very high131 Ų13151.5 Ų51.549%0.49425%0.25SC..Hα-helixtrans-60-45.9-178.8-78.8179.1-178.7155.90.8113.5L173 T174 R179 G180 G181L173-R177 WeakPolarHBondContact O-CB 3.42Å; L173-R177 WeakPolarHBondContact O-CG 3.37Å; L173-R177 PolarHBondContact O-N 2.91Å; T174-R177 PolarHBondContact O-N 2.04Å; R177-R179 PolarHBondContact O-N 2.77Å; R177-R179 VanDerWaalsContact O-N 3.11Å; R177-G180 PolarHBondContact O-N 2.7Å; R177-G181 VanDerWaalsContact CA-O 3.25Å; R177-G181 WeakPolarHBondContact CA-O 3.09Å; R177-G181 PolarHBondContact N-O 2.86Å
178I96.6Very high96.9Very high127 Ų12753.4 Ų53.465%0.65126%0.262SS*.THydrogen-bonded Turntrans-64.3-18.2-179.664.2175.8000113.2T174 H175 C176T174-I178 HydrophobicContact CG2-CG2 4.16Å; T174-I178 WeakPolarHBondContact O-CG1 3.48Å; T174-I178 WeakPolarHBondContact O-CG2 3.48Å; T174-I178 PolarHBondContact O-N 2.93Å; H175-I178 WeakPolarHBondContact O-CG1 3.28Å; C176-I178 PolarHBondContact O-N 3.35Å
179R95.3Very high96.7Very high125 Ų12558.1 Ų58.147%0.47228%0.283SS..THydrogen-bonded Turntrans-93.73.9175.5-69175.3176.376.4-6.8113H175 C176 R177 F272H175-R179 PolarHBondContact CD2-NH1 2.9Å; H175-R179 PolarHBondContact CE1-NH1 2.9Å; H175-R179 PolarHBondContact CE1-NH2 2.85Å; H175-R179 VanDerWaalsContact CG-NH1 3.28Å; H175-R179 PolarHBondContact ND1-NH1 2.75Å; H175-R179 PolarHBondContact NE2-NH1 2.79Å; H175-R179 PolarHBondContact NE2-NH2 3.02Å; H175-R179 PolarHBondContact O-NH1 3.38Å; C176-R179 PolarHBondContact O-N 2.91Å; C176-R179 VanDerWaalsContact O-N 3.16Å; R177-R179 PolarHBondContact O-N 2.77Å; R177-R179 VanDerWaalsContact O-N 3.11Å; R179-F272 HydrophobicContact CB-CE1 3.79Å; R179-F272 HydrophobicContact CB-CZ 4.08Å; R179-F272 WeakPolarHBondContact O-CE1 3.31Å
180G95.3Very high96.5Very high68 Ų6861.6 Ų61.670%0.70131%0.312SS*.THydrogen-bonded Turntrans76.524.7-176.400000113.7R177R177-G180 PolarHBondContact O-N 2.7Å
181G96.1Very high96.4Very high8 Ų852.5 Ų52.58%0.08228%0.28CS..  trans-123.5-169.5173.600000111.9C176 R177 E271C176-G181 CarbonylContact C-O 3.57Å; C176-G181 VanDerWaalsContact C-O 3.3Å; C176-G181 CarbonylContact O-C 3.42Å; C176-G181 WeakPolarHBondContact O-CA 3.11Å; C176-G181 PolarHBondContact O-N 3.46Å; R177-G181 VanDerWaalsContact CA-O 3.25Å; R177-G181 WeakPolarHBondContact CA-O 3.09Å; R177-G181 PolarHBondContact N-O 2.86Å; G181-E271 CarbonylContact C-O 3.49Å; G181-E271 WeakPolarHBondContact CA-O 3.35Å
182M97.4Very high96.3Very high52 Ų5248.1 Ų48.126%0.25626%0.26SS..EExtended strand (participates in β ladder)trans-138.9168.6177.1-58.7-175.971.300109.1C176 M185 T223 D224 C270 E271C176-M182 VanDerWaalsContact CB-C 3.43Å; C176-M182 WeakPolarHBondContact CB-O 3.44Å; M182-M185 HydrophobicContact CB-CE 4.27Å; M182-M185 HydrophobicContact SD-CE 4.08Å; M182-T223 WeakPolarHBondContact CE-O 3.46Å; M182-D224 HydrophobicContact CE-CB 3.78Å; M182-D224 HydrophobicContact SD-CB 4.19Å; M182-C270 CarbonylContact O-C 3.3Å; M182-C270 VanDerWaalsContact O-CA 3.28Å; M182-C270 WeakPolarHBondContact O-CA 3.29Å; M182-E271 PolarHBondContact N-O 2.67Å; M182-E271 PolarHBondContact O-N 3Å
183L98Very high96.2Very high0 Ų052 Ų520%028%0.283CS..EExtended strand (participates in β ladder)trans-61.4146.8166.2-78.7175.6000108.7Y169 L173 M185 G210 T223 F268 V269Y169-L183 HydrophobicContact CD2-CD1 4.22Å; Y169-L183 HydrophobicContact CE1-CD1 4.42Å; Y169-L183 HydrophobicContact CE2-CD1 3.76Å; L173-L183 HydrophobicContact CD2-CB 4.45Å; L173-L183 HydrophobicContact CD2-CD1 3.55Å; L173-L183 HydrophobicContact CD2-CG 4.02Å; L173-L183 HydrophobicContact CG-CD1 3.78Å; L173-L183 HydrophobicContact CG-CG 4.49Å; L183-M185 WeakPolarHBondContact O-CG 3.44Å; L183-M185 PolarHBondContact O-N 3.28Å; L183-G210 VanDerWaalsContact CB-CA 3.42Å; L183-T223 HydrophobicContact CB-CG2 4.26Å; L183-F268 HydrophobicContact CD2-CB 3.89Å; L183-F268 HydrophobicContact CD2-CD2 3.78Å; L183-F268 HydrophobicContact CD2-CG 4.23Å; L183-V269 CarbonylContact C-O 3.48Å; L183-V269 WeakPolarHBondContact CA-O 3.42Å
184A97.6Very high96.1Very high0 Ų053.3 Ų53.30%029%0.29CS..  trans-63.1130.6-173.100000111.7Y160 P186 I195 G210 V269 E271Y160-A184 HydrophobicContact CD1-CB 4.06Å; Y160-A184 HydrophobicContact CE1-CB 4.25Å; A184-P186 WeakPolarHBondContact O-CD 3.23Å; A184-I195 HydrophobicContact CB-CD1 3.95Å; A184-G210 WeakPolarHBondContact O-CA 3.02Å; A184-G210 PolarHBondContact O-N 2.79Å; A184-V269 HydrophobicContact CB-CB 3.81Å; A184-V269 HydrophobicContact CB-CG1 3.8Å; A184-V269 PolarHBondContact N-O 3.49Å; A184-E271 HydrophobicContact CB-CB 4.17Å
185M96.6Very high96.1Very high8 Ų850 Ų504%0.03927%0.269CS..  trans-114.390.3-175.5-66.8174.6-66.600108.9M182 L183 K187 F222 T223 D224 E271M182-M185 HydrophobicContact CB-CE 4.27Å; M182-M185 HydrophobicContact SD-CE 4.08Å; L183-M185 WeakPolarHBondContact O-CG 3.44Å; L183-M185 PolarHBondContact O-N 3.28Å; M185-K187 VanDerWaalsContact C-N 3.31Å; M185-K187 HydrophobicContact CB-CG 4.32Å; M185-K187 PolarHBondContact O-N 2.81Å; M185-F222 HydrophobicContact CB-CB 4.49Å; M185-F222 HydrophobicContact CB-CD1 3.69Å; M185-F222 HydrophobicContact CB-CE1 4.28Å; M185-F222 HydrophobicContact CB-CG 4.32Å; M185-F222 HydrophobicContact CG-CB 4.03Å; M185-F222 HydrophobicContact CG-CD1 3.89Å; M185-F222 HydrophobicContact CG-CG 4.34Å; M185-F222 HydrophobicContact SD-CB 3.75Å; M185-T223 PolarHBondContact SD-OG1 3.25Å; M185-T223 VanDerWaalsContact SD-OG1 3.35Å; M185-D224 HydrophobicContact CE-CB 4.06Å; M185-D224 HydrophobicContact SD-CB 3.8Å; M185-D224 VanDerWaalsContact SD-CG 3.51Å; M185-E271 PolarHBondContact N-OE2 3.34Å
186P95.8Very high96Very high0 Ų049.6 Ų49.60%027%0.269CS..  trans-70.485.3176.329.2-35.5000110.7A184 D188 N192 I195 I209 Y231 M251 W257A184-P186 WeakPolarHBondContact O-CD 3.23Å; P186-D188 VanDerWaalsContact C-N 3.34Å; P186-N192 HydrophobicContact CB-CB 3.93Å; P186-I195 HydrophobicContact CB-CD1 4.13Å; P186-I209 HydrophobicContact CG-CD1 4.07Å; P186-Y231 WeakPolarHBondContact O-CD1 3.42Å; P186-M251 HydrophobicContact CB-CE 4.27Å; P186-M251 HydrophobicContact CG-CE 3.98Å; P186-W257 HydrophobicContact CB-CZ2 3.86Å; P186-W257 HydrophobicContact CG-CH2 3.97Å; P186-W257 HydrophobicContact CG-CZ2 3.32Å
187K94.3Very high95.9Very high74 Ų7452.5 Ų52.532%0.32229%0.285SS..  trans-82.6-10.4-178.5-61.4-166.7-176.9-164.70114.4M185 F222 D224 T226 Y231M185-K187 VanDerWaalsContact C-N 3.31Å; M185-K187 HydrophobicContact CB-CG 4.32Å; M185-K187 PolarHBondContact O-N 2.81Å; K187-F222 HydrophobicContact CB-CZ 4.49Å; K187-F222 HydrophobicContact CG-CD2 4.36Å; K187-F222 HydrophobicContact CG-CE1 4.18Å; K187-F222 HydrophobicContact CG-CE2 4.03Å; K187-F222 HydrophobicContact CG-CZ 3.93Å; K187-D224 IonicContact NZ-OD1 3.91Å; K187-D224 PolarHBondContact NZ-OD1 3.21Å; K187-D224 IonicContact NZ-OD2 3.82Å; K187-D224 PolarHBondContact NZ-OD2 3.43Å; K187-T226 WeakPolarHBondContact CE-OG1 3.34Å; K187-T226 PolarHBondContact NZ-OG1 3.13Å; K187-Y231 WeakPolarHBondContact O-CB 3.04Å
188D93.9Very high95.8Very high82 Ų8246.5 Ų46.544%0.43926%0.262SS..SBendtrans-147.2166.2179.359.750.4000110.9P186 A190 A191 N192P186-D188 VanDerWaalsContact C-N 3.34Å; D188-A190 VanDerWaalsContact C-N 3.28Å; D188-A190 PolarHBondContact O-N 2.94Å; D188-A190 PolarHBondContact OD1-N 3.42Å; D188-A191 PolarHBondContact O-N 3.45Å; D188-A191 VanDerWaalsContact OD1-CB 3.22Å; D188-A191 WeakPolarHBondContact OD1-CB 3.23Å; D188-A191 PolarHBondContact OD1-N 2.71Å; D188-N192 WeakPolarHBondContact O-CB 3.22Å; D188-N192 PolarHBondContact O-N 3.09Å
189E94.6Very high95.8Very high138 Ų13840.5 Ų40.565%0.64523%0.231SC*.Hα-helixtrans-62.1-34.4-178.5-172.9-179.6-176.200112.8T193 Y231E189-T193 VanDerWaalsContact O-CB 3.31Å; E189-T193 WeakPolarHBondContact O-CB 3.09Å; E189-T193 PolarHBondContact O-N 3.22Å; E189-T193 PolarHBondContact O-OG1 2.64Å; E189-Y231 HydrophobicContact CB-CE2 3.81Å; E189-Y231 HydrophobicContact CG-CE2 4.48Å
190A93.7Very high95.8Very high75 Ų7536.8 Ų36.862%0.6223%0.227SC*.Hα-helixtrans-68-45.9-179.200000111.4D188 L194D188-A190 VanDerWaalsContact C-N 3.28Å; D188-A190 PolarHBondContact O-N 2.94Å; D188-A190 PolarHBondContact OD1-N 3.42Å; A190-L194 VanDerWaalsContact O-CB 3.29Å; A190-L194 WeakPolarHBondContact O-CB 3.35Å; A190-L194 PolarHBondContact O-N 2.59Å
191A94.5Very high95.7Very high10 Ų1040.2 Ų40.28%0.08322%0.223CC..Hα-helixtrans-64.4-44.917500000110.9D188 L194 I195D188-A191 PolarHBondContact O-N 3.45Å; D188-A191 VanDerWaalsContact OD1-CB 3.22Å; D188-A191 WeakPolarHBondContact OD1-CB 3.23Å; D188-A191 PolarHBondContact OD1-N 2.71Å; A191-L194 PolarHBondContact O-N 3.44Å; A191-I195 WeakPolarHBondContact O-CD1 3.35Å; A191-I195 VanDerWaalsContact O-CG1 3.24Å; A191-I195 WeakPolarHBondContact O-CG1 3.42Å; A191-I195 PolarHBondContact O-N 3.12Å
192N96.6Very high95.5Very high5 Ų541.9 Ų41.93%0.02723%0.234CC..Hα-helixtrans-58.6-50.6177.6-173.880.3000112.1P186 D188 L194 I195 A196 Y231 N233 M251 W257P186-N192 HydrophobicContact CB-CB 3.93Å; D188-N192 WeakPolarHBondContact O-CB 3.22Å; D188-N192 PolarHBondContact O-N 3.09Å; N192-L194 VanDerWaalsContact C-N 3.3Å; N192-L194 PolarHBondContact O-N 3.17Å; N192-I195 PolarHBondContact O-N 3.41Å; N192-A196 VanDerWaalsContact O-CB 3.31Å; N192-A196 WeakPolarHBondContact O-CB 3.39Å; N192-A196 PolarHBondContact O-N 3.09Å; N192-Y231 HydrophobicContact CB-CE1 3.79Å; N192-Y231 WeakPolarHBondContact CB-OH 3.29Å; N192-Y231 PolarHBondContact ND2-OH 3.24Å; N192-N233 PolarHBondContact ND2-ND2 3.47Å; N192-M251 VanDerWaalsContact OD1-CE 3.27Å; N192-M251 WeakPolarHBondContact OD1-CE 3.4Å; N192-W257 PolarHBondContact OD1-NE1 3.48Å
193T96.3Very high95.3Very high81 Ų8142 Ų4250%0.49725%0.248SC..Hα-helixtrans-63.2-38.7-179.8-56.20000111.4E189 A196 D197E189-T193 VanDerWaalsContact O-CB 3.31Å; E189-T193 WeakPolarHBondContact O-CB 3.09Å; E189-T193 PolarHBondContact O-N 3.22Å; E189-T193 PolarHBondContact O-OG1 2.64Å; T193-A196 PolarHBondContact O-N 2.87Å; T193-D197 VanDerWaalsContact O-CB 3.27Å; T193-D197 WeakPolarHBondContact O-CB 3.48Å; T193-D197 PolarHBondContact O-N 2.89Å
194L95.7Very high95.2Very high48 Ų4843.2 Ų43.225%0.25125%0.253SS..Hα-helixtrans-64.3-44.2176.4-178.8155.1000112R153 T155 Y160 A190 A191 N192 Y198R153-L194 HydrophobicContact CB-CD2 3.99Å; T155-L194 HydrophobicContact CG2-CD1 3.55Å; Y160-L194 HydrophobicContact CD2-CD2 3.47Å; Y160-L194 VanDerWaalsContact CD2-CD2 3.47Å; Y160-L194 HydrophobicContact CE2-CD2 3.71Å; Y160-L194 HydrophobicContact CG-CD2 4.33Å; A190-L194 VanDerWaalsContact O-CB 3.29Å; A190-L194 WeakPolarHBondContact O-CB 3.35Å; A190-L194 PolarHBondContact O-N 2.59Å; A191-L194 PolarHBondContact O-N 3.44Å; N192-L194 VanDerWaalsContact C-N 3.3Å; N192-L194 PolarHBondContact O-N 3.17Å; L194-Y198 WeakPolarHBondContact O-CB 3.47Å; L194-Y198 PolarHBondContact O-N 2.82Å
195I96.6Very high95Very high0 Ų051.3 Ų51.30%029%0.289CS..Hα-helixtrans-67.4-44.9177.9-62.4160.3000109.7Y160 A184 P186 A191 N192 D197 Y198 V199 M251 V269Y160-I195 HydrophobicContact CD1-CD1 4.13Å; Y160-I195 HydrophobicContact CD1-CG1 3.99Å; Y160-I195 HydrophobicContact CE1-CD1 3.76Å; Y160-I195 HydrophobicContact CE1-CG1 4Å; Y160-I195 HydrophobicContact CG-CG1 4.31Å; A184-I195 HydrophobicContact CB-CD1 3.95Å; P186-I195 HydrophobicContact CB-CD1 4.13Å; A191-I195 WeakPolarHBondContact O-CD1 3.35Å; A191-I195 VanDerWaalsContact O-CG1 3.24Å; A191-I195 WeakPolarHBondContact O-CG1 3.42Å; A191-I195 PolarHBondContact O-N 3.12Å; N192-I195 PolarHBondContact O-N 3.41Å; I195-D197 PolarHBondContact O-N 3.07Å; I195-Y198 WeakPolarHBondContact O-CA 3.42Å; I195-Y198 WeakPolarHBondContact O-CB 3.29Å; I195-Y198 PolarHBondContact O-N 3.04Å; I195-Y198 VanDerWaalsContact O-N 3.1Å; I195-V199 HydrophobicContact CG2-CG2 4.27Å; I195-V199 VanDerWaalsContact O-CG2 3.28Å; I195-V199 WeakPolarHBondContact O-CG2 3.25Å; I195-V199 PolarHBondContact O-N 3Å; I195-M251 HydrophobicContact CB-CE 4.28Å; I195-M251 HydrophobicContact CB-SD 4.05Å; I195-M251 HydrophobicContact CG2-CE 4.11Å; I195-M251 HydrophobicContact CG2-SD 3.55Å; I195-M251 VanDerWaalsContact CG2-SD 3.55Å; I195-V269 HydrophobicContact CG2-CG1 4.31Å; I195-V269 HydrophobicContact CG2-CG2 4.13Å
196A96.9Very high95Very high9 Ų956.3 Ų56.37%0.07431%0.307CS..Hα-helixtrans-58.8-47.9177.800000112.3N192 T193 Y198 V199 A200 M251N192-A196 VanDerWaalsContact O-CB 3.31Å; N192-A196 WeakPolarHBondContact O-CB 3.39Å; N192-A196 PolarHBondContact O-N 3.09Å; T193-A196 PolarHBondContact O-N 2.87Å; A196-Y198 VanDerWaalsContact C-N 3.26Å; A196-Y198 PolarHBondContact O-N 3.24Å; A196-V199 PolarHBondContact O-N 3.06Å; A196-A200 WeakPolarHBondContact O-CB 3.48Å; A196-A200 PolarHBondContact O-N 2.89Å; A196-M251 HydrophobicContact CB-SD 4.37Å
197D95.4Very high95.1Very high62 Ų6256.3 Ų56.333%0.33231%0.307SS..Hα-helixtrans-60.5-37.4174.9178.868.9000111.6T193 I195 K201T193-D197 VanDerWaalsContact O-CB 3.27Å; T193-D197 WeakPolarHBondContact O-CB 3.48Å; T193-D197 PolarHBondContact O-N 2.89Å; I195-D197 PolarHBondContact O-N 3.07Å; D197-K201 VanDerWaalsContact O-CB 3.23Å; D197-K201 WeakPolarHBondContact O-CB 3.17Å; D197-K201 VanDerWaalsContact O-CG 3.29Å; D197-K201 WeakPolarHBondContact O-CG 3.5Å; D197-K201 PolarHBondContact O-N 3.33Å; D197-K201 WeakPolarHBondContact OD1-CD 3.36Å; D197-K201 WeakPolarHBondContact OD1-CE 3.29Å; D197-K201 IonicContact OD1-NZ 2.79Å; D197-K201 PolarHBondContact OD1-NZ 3.5Å; D197-K201 WeakPolarHBondContact OD2-CD 3.36Å; D197-K201 WeakPolarHBondContact OD2-CE 3.29Å; D197-K201 IonicContact OD2-NZ 2.7Å; D197-K201 PolarHBondContact OD2-NZ 2.02Å
198Y95.3Very high95.4Very high5 Ų552.8 Ų52.82%0.0229%0.292CS..Hα-helixtrans-66-45.6176.1-173.6-159.4000112.1A150 G151 R153 I162 L194 I195 A196 S202A150-Y198 PolarHBondContact O-OH 3.45Å; G151-Y198 VanDerWaalsContact C-OH 3.25Å; G151-Y198 WeakPolarHBondContact O-CE2 3.45Å; G151-Y198 PolarHBondContact O-OH 3.49Å; R153-Y198 HydrophobicContact CB-CD1 4.06Å; R153-Y198 HydrophobicContact CB-CE1 4.36Å; R153-Y198 HydrophobicContact CB-CG 4.34Å; R153-Y198 HydrophobicContact CG-CD1 3.58Å; R153-Y198 HydrophobicContact CG-CD2 3.65Å; R153-Y198 HydrophobicContact CG-CE1 4Å; R153-Y198 HydrophobicContact CG-CE2 4.11Å; R153-Y198 HydrophobicContact CG-CG 3.39Å; I162-Y198 HydrophobicContact CB-CE1 4.3Å; I162-Y198 HydrophobicContact CD1-CD1 3.7Å; I162-Y198 HydrophobicContact CD1-CD2 3.72Å; I162-Y198 HydrophobicContact CD1-CE1 3.69Å; I162-Y198 HydrophobicContact CD1-CE2 3.65Å; I162-Y198 HydrophobicContact CD1-CG 3.72Å; I162-Y198 HydrophobicContact CG1-CD1 3.83Å; I162-Y198 HydrophobicContact CG1-CE1 3.52Å; I162-Y198 HydrophobicContact CG1-CE2 4.31Å; I162-Y198 HydrophobicContact CG1-CG 4.37Å; I162-Y198 PolarHBondContact N-OH 2.71Å; L194-Y198 WeakPolarHBondContact O-CB 3.47Å; L194-Y198 PolarHBondContact O-N 2.82Å; I195-Y198 WeakPolarHBondContact O-CA 3.42Å; I195-Y198 WeakPolarHBondContact O-CB 3.29Å; I195-Y198 PolarHBondContact O-N 3.04Å; I195-Y198 VanDerWaalsContact O-N 3.1Å; A196-Y198 VanDerWaalsContact C-N 3.26Å; A196-Y198 PolarHBondContact O-N 3.24Å; Y198-S202 WeakPolarHBondContact CD2-OG 3Å; Y198-S202 WeakPolarHBondContact CE2-OG 3.49Å; Y198-S202 VanDerWaalsContact O-CB 3.25Å; Y198-S202 WeakPolarHBondContact O-CB 3.05Å; Y198-S202 PolarHBondContact O-N 3.04Å; Y198-S202 VanDerWaalsContact O-N 3.07Å; Y198-S202 PolarHBondContact O-OG 3.34Å
199V96.1Very high95.6Very high0 Ų048.9 Ų48.90%027%0.271CS..Hα-helixtrans-60.2-51.2176.8170.50000110.1I162 I195 A196 S202 G203 F204 V207 V269I162-V199 HydrophobicContact CD1-CG2 4.34Å; I195-V199 HydrophobicContact CG2-CG2 4.27Å; I195-V199 VanDerWaalsContact O-CG2 3.28Å; I195-V199 WeakPolarHBondContact O-CG2 3.25Å; I195-V199 PolarHBondContact O-N 3Å; A196-V199 PolarHBondContact O-N 3.06Å; V199-S202 PolarHBondContact O-N 2.88Å; V199-G203 PolarHBondContact O-N 3.41Å; V199-F204 HydrophobicContact CG1-CB 3.98Å; V199-F204 WeakPolarHBondContact CG1-O 3.3Å; V199-F204 PolarHBondContact O-N 2.77Å; V199-F204 VanDerWaalsContact O-N 3.14Å; V199-V207 HydrophobicContact CG1-CG1 4.23Å; V199-V207 HydrophobicContact CG1-CG2 4.3Å; V199-V207 HydrophobicContact CG2-CG1 4.15Å; V199-V207 HydrophobicContact CG2-CG2 3.54Å; V199-V269 HydrophobicContact CG2-CG2 4.25Å
200A95.3Very high95.7Very high47 Ų4742.3 Ų42.339%0.38824%0.24SC..Hα-helixtrans-61.9-48.7-179.700000112.7A196 S202 G203A196-A200 WeakPolarHBondContact O-CB 3.48Å; A196-A200 PolarHBondContact O-N 2.89Å; A200-S202 PolarHBondContact O-N 3.4Å; A200-G203 PolarHBondContact O-N 2.96Å
201K93.5Very high95.9Very high141 Ų14138.7 Ų38.761%0.61321%0.211SC*.Hα-helixtrans-66.8-22.9179.2-75.6175.9176154.40113.4D197 G203D197-K201 VanDerWaalsContact O-CB 3.23Å; D197-K201 WeakPolarHBondContact O-CB 3.17Å; D197-K201 VanDerWaalsContact O-CG 3.29Å; D197-K201 WeakPolarHBondContact O-CG 3.5Å; D197-K201 PolarHBondContact O-N 3.33Å; D197-K201 WeakPolarHBondContact OD1-CD 3.36Å; D197-K201 WeakPolarHBondContact OD1-CE 3.29Å; D197-K201 IonicContact OD1-NZ 2.79Å; D197-K201 PolarHBondContact OD1-NZ 3.5Å; D197-K201 WeakPolarHBondContact OD2-CD 3.36Å; D197-K201 WeakPolarHBondContact OD2-CE 3.29Å; D197-K201 IonicContact OD2-NZ 2.7Å; D197-K201 PolarHBondContact OD2-NZ 2.02Å; K201-G203 VanDerWaalsContact C-N 3.28Å
202S92.3Very high96Very high43 Ų4339 Ų3930%0.30121%0.211SC..THydrogen-bonded Turntrans-86.4-1.4176-54.10000112.7Y198 V199 A200Y198-S202 WeakPolarHBondContact CD2-OG 3Å; Y198-S202 WeakPolarHBondContact CE2-OG 3.49Å; Y198-S202 VanDerWaalsContact O-CB 3.25Å; Y198-S202 WeakPolarHBondContact O-CB 3.05Å; Y198-S202 PolarHBondContact O-N 3.04Å; Y198-S202 VanDerWaalsContact O-N 3.07Å; Y198-S202 PolarHBondContact O-OG 3.34Å; V199-S202 PolarHBondContact O-N 2.88Å; A200-S202 PolarHBondContact O-N 3.4Å
203G93.1Very high95.9Very high54 Ų5438.8 Ų38.856%0.55721%0.21SC*.THydrogen-bonded Turntrans79.715.217700000114.5V199 A200 K201V199-G203 PolarHBondContact O-N 3.41Å; A200-G203 PolarHBondContact O-N 2.96Å; K201-G203 VanDerWaalsContact C-N 3.28Å
204F94.4Very high95.8Very high26 Ų2639 Ų3911%0.11421%0.207CC..  trans-91.6140.6175.9-59.4-67000110.5I162 Q164 V199 V207 S253 Y267I162-F204 HydrophobicContact CB-CE2 4.48Å; I162-F204 HydrophobicContact CD1-CD2 4.06Å; I162-F204 HydrophobicContact CD1-CE2 4.28Å; I162-F204 HydrophobicContact CG2-CD2 3.92Å; I162-F204 HydrophobicContact CG2-CE2 3.62Å; I162-F204 HydrophobicContact CG2-CZ 4.26Å; Q164-F204 HydrophobicContact CG-CE2 4.38Å; Q164-F204 HydrophobicContact CG-CZ 3.73Å; V199-F204 HydrophobicContact CG1-CB 3.98Å; V199-F204 WeakPolarHBondContact CG1-O 3.3Å; V199-F204 PolarHBondContact O-N 2.77Å; V199-F204 VanDerWaalsContact O-N 3.14Å; F204-V207 HydrophobicContact CB-CG1 4.26Å; F204-S253 WeakPolarHBondContact O-CB 3.16Å; F204-Y267 AromaticContact CD1-CD2 3.39Å; F204-Y267 HydrophobicContact CD1-CD2 3.39Å; F204-Y267 AromaticContact CD1-CE2 3.81Å; F204-Y267 HydrophobicContact CD1-CE2 3.81Å; F204-Y267 HydrophobicContact CD1-CG 4.17Å; F204-Y267 AromaticContact CE1-CD2 3.49Å; F204-Y267 HydrophobicContact CE1-CD2 3.49Å; F204-Y267 VanDerWaalsContact CE1-CD2 3.49Å; F204-Y267 AromaticContact CE1-CE2 3.62Å; F204-Y267 HydrophobicContact CE1-CE2 3.62Å; F204-Y267 HydrophobicContact CE1-CG 4.04Å; F204-Y267 HydrophobicContact CG-CD2 4.43Å
205F94.8Very high95.7Very high170 Ų17044.2 Ų44.275%0.74623%0.23SC*.SBendtrans-89.4-32179-63.3-70.7000113.2L252 S253F205-L252 CarbonylContact O-C 3.56Å; F205-L252 WeakPolarHBondContact O-CA 3.49Å; F205-S253 PolarHBondContact O-N 2.87Å
206R96.7Very high95.4Very high112 Ų11252 Ų5242%0.42326%0.26SS..EExtended strand (participates in β ladder)trans-154.8149.7-178.864.4-170.9-173.4156.3-6.1111.2E250 M251 L252R206-E250 WeakPolarHBondContact CD-OE1 3.39Å; R206-E250 WeakPolarHBondContact CD-OE2 3.22Å; R206-E250 IonicContact CZ-OE2 3.72Å; R206-E250 IonicContact NE-OE2 3.82Å; R206-E250 IonicContact NH1-OE1 3.51Å; R206-E250 IonicContact NH1-OE2 3.04Å; R206-E250 PolarHBondContact NH1-OE2 3.21Å; R206-M251 CarbonylContact C-O 3.46Å; R206-M251 VanDerWaalsContact CA-O 3.25Å; R206-M251 WeakPolarHBondContact CA-O 3.29Å; R206-L252 HydrophobicContact CB-CD2 3.99Å
207V98.3Very high95.2Very high0 Ų056.3 Ų56.30%028%0.279CS..EExtended strand (participates in β ladder)trans-148.5150.6179.8-65.70000111.2V199 F204 E250 M251 Y267 V269V199-V207 HydrophobicContact CG1-CG1 4.23Å; V199-V207 HydrophobicContact CG1-CG2 4.3Å; V199-V207 HydrophobicContact CG2-CG1 4.15Å; V199-V207 HydrophobicContact CG2-CG2 3.54Å; F204-V207 HydrophobicContact CB-CG1 4.26Å; V207-E250 CarbonylContact O-C 3.17Å; V207-E250 VanDerWaalsContact O-CA 3.29Å; V207-E250 WeakPolarHBondContact O-CA 3.46Å; V207-M251 HydrophobicContact CG2-CB 4.22Å; V207-M251 PolarHBondContact N-O 2.89Å; V207-M251 PolarHBondContact O-N 2.83Å; V207-Y267 CarbonylContact C-O 3.5Å; V207-Y267 WeakPolarHBondContact CA-O 3.41Å; V207-Y267 WeakPolarHBondContact CB-O 2.94Å; V207-V269 HydrophobicContact CB-CG2 4.08Å; V207-V269 HydrophobicContact CG1-CG2 4.45Å; V207-V269 HydrophobicContact CG2-CG2 3.61Å
208F98.6Very high94.9Very high0 Ų055.9 Ų55.90%029%0.289CS..EExtended strand (participates in β ladder)trans-68.8140169.1-76.4-52.7000112K167 Y169 C248 T260 L264 M266 Y267 F268 V269K167-F208 WeakPolarHBondContact O-CE2 3.47Å; Y169-F208 HydrophobicContact CD2-CB 4.32Å; Y169-F208 AromaticContact CD2-CD1 3.65Å; Y169-F208 HydrophobicContact CD2-CD1 3.65Å; Y169-F208 HydrophobicContact CD2-CD2 4.43Å; Y169-F208 AromaticContact CD2-CE1 3.95Å; Y169-F208 HydrophobicContact CD2-CE1 3.95Å; Y169-F208 AromaticContact CD2-CG 3.91Å; Y169-F208 HydrophobicContact CD2-CG 3.91Å; Y169-F208 HydrophobicContact CD2-CZ 4.45Å; Y169-F208 HydrophobicContact CE2-CD1 4.28Å; F208-C248 HydrophobicContact CE1-CB 4.36Å; F208-T260 HydrophobicContact CE1-CG2 3.74Å; F208-L264 VanDerWaalsContact CE2-O 3.29Å; F208-L264 WeakPolarHBondContact CE2-O 3.33Å; F208-L264 VanDerWaalsContact CZ-O 3.29Å; F208-L264 WeakPolarHBondContact CZ-O 3.37Å; F208-M266 HydrophobicContact CD1-CE 4.17Å; F208-M266 HydrophobicContact CD1-CG 4.22Å; F208-M266 HydrophobicContact CD1-SD 3.79Å; F208-M266 HydrophobicContact CD2-CG 3.36Å; F208-M266 HydrophobicContact CD2-SD 4.05Å; F208-M266 HydrophobicContact CE1-CE 3.63Å; F208-M266 HydrophobicContact CE1-CG 4.31Å; F208-M266 HydrophobicContact CE1-SD 3.89Å; F208-M266 HydrophobicContact CE2-CE 4.11Å; F208-M266 HydrophobicContact CE2-CG 3.46Å; F208-M266 VanDerWaalsContact CE2-CG 3.46Å; F208-M266 HydrophobicContact CE2-SD 4.14Å; F208-M266 HydrophobicContact CG-CG 3.77Å; F208-M266 HydrophobicContact CG-SD 3.87Å; F208-M266 HydrophobicContact CZ-CE 3.59Å; F208-M266 HydrophobicContact CZ-CG 3.95Å; F208-M266 HydrophobicContact CZ-SD 4.07Å; F208-Y267 PolarHBondContact N-O 2.81Å; F208-F268 HydrophobicContact CB-CB 3.82Å; F208-V269 PolarHBondContact O-N 2.85Å
209I98.3Very high94.8Very high0 Ų060.9 Ų60.90%031%0.312CS..EExtended strand (participates in β ladder)trans-121.4165.6171.262.5170.4000110.8Y169 P186 V211 V249 M251 W257Y169-I209 VanDerWaalsContact CE2-O 3.29Å; Y169-I209 WeakPolarHBondContact CE2-O 3.32Å; Y169-I209 PolarHBondContact OH-O 3.24Å; P186-I209 HydrophobicContact CG-CD1 4.07Å; I209-V211 HydrophobicContact CD1-CG2 3.99Å; I209-V211 HydrophobicContact CG1-CG2 4.29Å; I209-V211 PolarHBondContact O-N 3.43Å; I209-V249 HydrophobicContact CD1-CB 4.46Å; I209-V249 HydrophobicContact CD1-CG1 3.74Å; I209-V249 HydrophobicContact CG1-CB 4.1Å; I209-V249 HydrophobicContact CG1-CG1 3.84Å; I209-V249 PolarHBondContact N-O 2.73Å; I209-V249 VanDerWaalsContact N-O 3.13Å; I209-M251 HydrophobicContact CD1-CB 4.27Å; I209-M251 HydrophobicContact CD1-CE 4.37Å; I209-M251 HydrophobicContact CG2-CB 3.55Å; I209-M251 HydrophobicContact CG2-CE 4.08Å; I209-M251 HydrophobicContact CG2-SD 4.39Å; I209-W257 HydrophobicContact CD1-CD2 3.92Å; I209-W257 HydrophobicContact CD1-CG 4Å
210G97.8Very high94.8Very high0 Ų061.8 Ų61.80%032%0.316CS..EExtended strand (participates in β ladder)trans-82.651.4-174.600000113.7L183 A184 F222 T223L183-G210 VanDerWaalsContact CB-CA 3.42Å; A184-G210 WeakPolarHBondContact O-CA 3.02Å; A184-G210 PolarHBondContact O-N 2.79Å; G210-F222 CarbonylContact O-C 3.51Å; G210-F222 VanDerWaalsContact O-CA 3.24Å; G210-F222 WeakPolarHBondContact O-CA 3.36Å; G210-T223 VanDerWaalsContact CA-CG2 3.42Å; G210-T223 PolarHBondContact O-N 3.07Å
211V97.4Very high94.9Very high0 Ų061 Ų610%031%0.306CS..EExtended strand (participates in β ladder)trans-127.9137.6173.4-171.20000108.3Y169 I209 Y220 V221 F222 V249 W257Y169-V211 PolarHBondContact OH-N 3.33Å; Y169-V211 PolarHBondContact OH-O 2.76Å; I209-V211 HydrophobicContact CD1-CG2 3.99Å; I209-V211 HydrophobicContact CG1-CG2 4.29Å; I209-V211 PolarHBondContact O-N 3.43Å; V211-Y220 HydrophobicContact CG1-CD1 3.96Å; V211-Y220 HydrophobicContact CG1-CG 4.48Å; V211-V221 WeakPolarHBondContact CA-O 3.21Å; V211-F222 HydrophobicContact CG2-CD1 3.72Å; V211-F222 HydrophobicContact CG2-CE1 3.66Å; V211-V249 HydrophobicContact CB-CB 3.89Å; V211-V249 HydrophobicContact CB-CG1 4.34Å; V211-V249 HydrophobicContact CB-CG2 3.78Å; V211-V249 HydrophobicContact CG1-CB 4.45Å; V211-V249 HydrophobicContact CG1-CG2 3.82Å; V211-V249 WeakPolarHBondContact O-CB 3.29Å; V211-V249 WeakPolarHBondContact O-CG2 3.4Å; V211-V249 PolarHBondContact O-N 3.42Å; V211-W257 HydrophobicContact CG2-CZ3 4.39Å
212N96.3Very high95Very high15 Ų1554.7 Ų54.78%0.0828%0.279CS..EExtended strand (participates in β ladder)trans-163.4160.8-178.963.4101.1000110.1Y169 L214 Y220 V221 D247Y169-N212 HydrophobicContact CE1-CB 4.05Å; Y169-N212 PolarHBondContact OH-ND2 3.02Å; N212-L214 HydrophobicContact CB-CD1 4.06Å; N212-L214 HydrophobicContact CB-CG 4.07Å; N212-Y220 WeakPolarHBondContact O-CA 3.47Å; N212-V221 PolarHBondContact N-O 3.02Å; N212-V221 WeakPolarHBondContact O-CG2 3.24Å; N212-V221 PolarHBondContact O-N 2.99Å; N212-V221 VanDerWaalsContact O-O 3.1Å; N212-D247 VanDerWaalsContact CA-O 3.23Å; N212-D247 WeakPolarHBondContact CA-O 3.23Å; N212-D247 WeakPolarHBondContact CB-O 3.45Å
213D95.9Very high95.2Very high1 Ų153 Ų531%0.00527%0.267CS..  trans-125.922.6172.359.8-25.1000112.6E215 R216 G218 Y220 D247D213-E215 PolarHBondContact O-N 2.87Å; D213-R216 CarbonylContact O-C 3.5Å; D213-R216 PolarHBondContact O-N 3.14Å; D213-G218 PolarHBondContact OD2-N 3.06Å; D213-Y220 HydrophobicContact CB-CD1 3.96Å; D213-Y220 HydrophobicContact CB-CD2 4.23Å; D213-Y220 HydrophobicContact CB-CE1 4.1Å; D213-Y220 HydrophobicContact CB-CE2 4.31Å; D213-Y220 HydrophobicContact CB-CG 4.05Å; D213-Y220 WeakPolarHBondContact OD1-CE1 3.22Å; D213-Y220 WeakPolarHBondContact OD2-CE2 3.36Å; D213-D247 PolarHBondContact N-O 3.37Å; D213-D247 VanDerWaalsContact N-O 3.11Å; D213-D247 WeakPolarHBondContact OD1-CA 3.44Å
214L94Very high95.2Very high86 Ų8653.1 Ų53.145%0.4525%0.254SS..THydrogen-bonded Turntrans-43-30.7175.9-74.2167.6000116.1Y169 N212 D247Y169-L214 HydrophobicContact CD1-CD1 4.35Å; Y169-L214 HydrophobicContact CE1-CD1 4.21Å; N212-L214 HydrophobicContact CB-CD1 4.06Å; N212-L214 HydrophobicContact CB-CG 4.07Å; L214-D247 HydrophobicContact CD2-CB 3.62Å; L214-D247 HydrophobicContact CG-CB 3.98Å
215E92.1Very high95.2Very high157 Ų15757.6 Ų57.673%0.73428%0.279SS*.THydrogen-bonded Turntrans-85.4-33.9179.5-67.6-166.7177.800113D213D213-E215 PolarHBondContact O-N 2.87Å
216R91.7Very high95.2Very high163 Ų16351.8 Ų51.862%0.61526%0.258SS*.SBendtrans-154.5107.9-171.8-70.4-174-175.1-170.51.4109.7D213 G218 Q219D213-R216 CarbonylContact O-C 3.5Å; D213-R216 PolarHBondContact O-N 3.14Å; R216-G218 PolarHBondContact O-N 2.84Å; R216-Q219 HydrophobicContact CB-CB 3.94Å; R216-Q219 HydrophobicContact CB-CG 4.29Å; R216-Q219 WeakPolarHBondContact O-CA 3.42Å; R216-Q219 WeakPolarHBondContact O-CB 3.42Å; R216-Q219 PolarHBondContact O-N 3.11Å
217E92.1Very high95Very high101 Ų10149.6 Ų49.647%0.47226%0.258SS..THydrogen-bonded Turntrans-42.8127175.4-17351.1-115.500112.9Q219E217-Q219 PolarHBondContact O-N 2.8Å
218G89.9Confident94.8Very high53 Ų5351.6 Ų51.655%0.54627%0.269SS..THydrogen-bonded Turntrans72.6-0.2-178.600000115.5D213 R216D213-G218 PolarHBondContact OD2-N 3.06Å; R216-G218 PolarHBondContact O-N 2.84Å
219Q93.1Very high93.9Very high110 Ų11058.5 Ų58.551%0.51430%0.301SS..  trans-107.578.2174.8-62.4-170.70.800111.1R216 E217 V221R216-Q219 HydrophobicContact CB-CB 3.94Å; R216-Q219 HydrophobicContact CB-CG 4.29Å; R216-Q219 WeakPolarHBondContact O-CA 3.42Å; R216-Q219 WeakPolarHBondContact O-CB 3.42Å; R216-Q219 PolarHBondContact O-N 3.11Å; E217-Q219 PolarHBondContact O-N 2.8Å; Q219-V221 PolarHBondContact O-N 2.68Å
220Y95.2Very high93.1Very high19 Ų1966 Ų668%0.07534%0.341CS..  trans-62.9131.2178.7-70.6-89.8000112.9V211 N212 D213 L228 W234 P239 V249 D259V211-Y220 HydrophobicContact CG1-CD1 3.96Å; V211-Y220 HydrophobicContact CG1-CG 4.48Å; N212-Y220 WeakPolarHBondContact O-CA 3.47Å; D213-Y220 HydrophobicContact CB-CD1 3.96Å; D213-Y220 HydrophobicContact CB-CD2 4.23Å; D213-Y220 HydrophobicContact CB-CE1 4.1Å; D213-Y220 HydrophobicContact CB-CE2 4.31Å; D213-Y220 HydrophobicContact CB-CG 4.05Å; D213-Y220 WeakPolarHBondContact OD1-CE1 3.22Å; D213-Y220 WeakPolarHBondContact OD2-CE2 3.36Å; Y220-L228 WeakPolarHBondContact O-CB 3.49Å; Y220-L228 PolarHBondContact O-N 2.87Å; Y220-W234 AromaticContact CD1-CH2 3.79Å; Y220-W234 HydrophobicContact CD1-CH2 3.79Å; Y220-W234 AromaticContact CD1-CZ2 3.86Å; Y220-W234 HydrophobicContact CD1-CZ2 3.86Å; Y220-W234 HydrophobicContact CD2-CH2 4.48Å; Y220-W234 AromaticContact CD2-CZ2 4Å; Y220-W234 HydrophobicContact CD2-CZ2 4Å; Y220-W234 AromaticContact CE1-CH2 3.53Å; Y220-W234 HydrophobicContact CE1-CH2 3.53Å; Y220-W234 AromaticContact CE1-CZ2 3.98Å; Y220-W234 HydrophobicContact CE1-CZ2 3.98Å; Y220-W234 HydrophobicContact CE2-CH2 4.32Å; Y220-W234 HydrophobicContact CE2-CZ2 4.17Å; Y220-W234 HydrophobicContact CG-CH2 4.24Å; Y220-W234 AromaticContact CG-CZ2 3.84Å; Y220-W234 HydrophobicContact CG-CZ2 3.84Å; Y220-W234 AromaticContact CZ-CH2 3.84Å; Y220-P239 HydrophobicContact CD2-CG 4.39Å; Y220-P239 HydrophobicContact CE2-CB 3.82Å; Y220-P239 HydrophobicContact CE2-CG 3.59Å; Y220-P239 VanDerWaalsContact OH-CB 3.25Å; Y220-P239 WeakPolarHBondContact OH-CB 3.47Å; Y220-V249 HydrophobicContact CD1-CG2 3.92Å; Y220-V249 HydrophobicContact CE1-CG2 3.71Å; Y220-D259 WeakPolarHBondContact OH-CB 3.31Å
221V96.4Very high92.9Very high30 Ų3068.1 Ų68.118%0.18235%0.349CS..EExtended strand (participates in β ladder)trans-126.4149.6176-61.70000110.2V211 N212 Q219V211-V221 WeakPolarHBondContact CA-O 3.21Å; N212-V221 PolarHBondContact N-O 3.02Å; N212-V221 WeakPolarHBondContact O-CG2 3.24Å; N212-V221 PolarHBondContact O-N 2.99Å; N212-V221 VanDerWaalsContact O-O 3.1Å; Q219-V221 PolarHBondContact O-N 2.68Å
222F97.1Very high92.7Very high9 Ų970.9 Ų70.94%0.03937%0.369CS..EExtended strand (participates in β ladder)trans-74.1160.2167.1-67.5-74.1000110.5M185 K187 G210 V211 D224 N225 T226 L228M185-F222 HydrophobicContact CB-CB 4.49Å; M185-F222 HydrophobicContact CB-CD1 3.69Å; M185-F222 HydrophobicContact CB-CE1 4.28Å; M185-F222 HydrophobicContact CB-CG 4.32Å; M185-F222 HydrophobicContact CG-CB 4.03Å; M185-F222 HydrophobicContact CG-CD1 3.89Å; M185-F222 HydrophobicContact CG-CG 4.34Å; M185-F222 HydrophobicContact SD-CB 3.75Å; K187-F222 HydrophobicContact CB-CZ 4.49Å; K187-F222 HydrophobicContact CG-CD2 4.36Å; K187-F222 HydrophobicContact CG-CE1 4.18Å; K187-F222 HydrophobicContact CG-CE2 4.03Å; K187-F222 HydrophobicContact CG-CZ 3.93Å; G210-F222 CarbonylContact O-C 3.51Å; G210-F222 VanDerWaalsContact O-CA 3.24Å; G210-F222 WeakPolarHBondContact O-CA 3.36Å; V211-F222 HydrophobicContact CG2-CD1 3.72Å; V211-F222 HydrophobicContact CG2-CE1 3.66Å; F222-D224 VanDerWaalsContact CB-OD1 3.31Å; F222-D224 WeakPolarHBondContact CB-OD1 3.34Å; F222-D224 PolarHBondContact O-N 3.29Å; F222-N225 WeakPolarHBondContact O-CA 3.44Å; F222-N225 PolarHBondContact O-N 3.24Å; F222-T226 WeakPolarHBondContact CD2-O 3.15Å; F222-T226 WeakPolarHBondContact CD2-OG1 3.25Å; F222-T226 PolarHBondContact N-O 3.27Å; F222-L228 HydrophobicContact CE1-CD1 4.27Å; F222-L228 HydrophobicContact CE2-CD1 3.75Å; F222-L228 HydrophobicContact CZ-CD1 3.5Å; F222-L228 VanDerWaalsContact CZ-CD1 3.5Å
223T95.5Very high92.8Very high8 Ų871.9 Ų71.95%0.04937%0.374CS..THydrogen-bonded Turntrans-64.9-10.8-178.758.30000115.5L173 M182 L183 M185 G210 N225L173-T223 HydrophobicContact CD2-CG2 3.38Å; M182-T223 WeakPolarHBondContact CE-O 3.46Å; L183-T223 HydrophobicContact CB-CG2 4.26Å; M185-T223 PolarHBondContact SD-OG1 3.25Å; M185-T223 VanDerWaalsContact SD-OG1 3.35Å; G210-T223 VanDerWaalsContact CA-CG2 3.42Å; G210-T223 PolarHBondContact O-N 3.07Å; T223-N225 VanDerWaalsContact C-N 3.33Å
224D94.3Very high92.8Very high56 Ų5673.4 Ų73.430%0.29938%0.38SS..THydrogen-bonded Turntrans-9414.5170.271-9.6000113.5M182 M185 K187 F222 T226M182-D224 HydrophobicContact CE-CB 3.78Å; M182-D224 HydrophobicContact SD-CB 4.19Å; M185-D224 HydrophobicContact CE-CB 4.06Å; M185-D224 HydrophobicContact SD-CB 3.8Å; M185-D224 VanDerWaalsContact SD-CG 3.51Å; K187-D224 IonicContact NZ-OD1 3.91Å; K187-D224 PolarHBondContact NZ-OD1 3.21Å; K187-D224 IonicContact NZ-OD2 3.82Å; K187-D224 PolarHBondContact NZ-OD2 3.43Å; F222-D224 VanDerWaalsContact CB-OD1 3.31Å; F222-D224 WeakPolarHBondContact CB-OD1 3.34Å; F222-D224 PolarHBondContact O-N 3.29Å; D224-T226 PolarHBondContact O-N 2.7Å; D224-T226 WeakPolarHBondContact OD1-CB 3.39Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.37Å; D224-T226 PolarHBondContact OD1-N 2.84Å; D224-T226 VanDerWaalsContact OD1-N 3.09Å; D224-T226 PolarHBondContact OD1-OG1 3.19Å
225N93.4Very high92.9Very high119 Ų11972 Ų7264%0.63637%0.373SS*.SBendtrans6413.1-178.4-51.2-29.3000114.1F222 T223F222-N225 WeakPolarHBondContact O-CA 3.44Å; F222-N225 PolarHBondContact O-N 3.24Å; T223-N225 VanDerWaalsContact C-N 3.33Å
226T94.4Very high93Very high48 Ų4873 Ų7329%0.29438%0.378SS..  trans-74.9130.1169.458.70000109.4K187 F222 D224K187-T226 WeakPolarHBondContact CE-OG1 3.34Å; K187-T226 PolarHBondContact NZ-OG1 3.13Å; F222-T226 WeakPolarHBondContact CD2-O 3.15Å; F222-T226 WeakPolarHBondContact CD2-OG1 3.25Å; F222-T226 PolarHBondContact N-O 3.27Å; D224-T226 PolarHBondContact O-N 2.7Å; D224-T226 WeakPolarHBondContact OD1-CB 3.39Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.37Å; D224-T226 PolarHBondContact OD1-N 2.84Å; D224-T226 VanDerWaalsContact OD1-N 3.09Å; D224-T226 PolarHBondContact OD1-OG1 3.19Å
227P94.1Very high93Very high67 Ų6768.2 Ų68.244%0.43538%0.379SS..BIsolated β-bridgetrans-69.8147.9-179.427.9-35.2000111.4Q229P227-Q229 HydrophobicContact CB-CG 4.27Å; P227-Q229 HydrophobicContact CG-CG 4.05Å; P227-Q229 VanDerWaalsContact CG-NE2 3.29Å; P227-Q229 PolarHBondContact O-N 2.79Å; P227-Q229 VanDerWaalsContact O-N 3.14Å
228L92.5Very high93.1Very high41 Ų4165.5 Ų65.522%0.21537%0.366CS..  trans-70.4105.9170.3-164.970.3000108.4Y220 F222 Y231 W234 W257Y220-L228 WeakPolarHBondContact O-CB 3.49Å; Y220-L228 PolarHBondContact O-N 2.87Å; F222-L228 HydrophobicContact CE1-CD1 4.27Å; F222-L228 HydrophobicContact CE2-CD1 3.75Å; F222-L228 HydrophobicContact CZ-CD1 3.5Å; F222-L228 VanDerWaalsContact CZ-CD1 3.5Å; L228-Y231 WeakPolarHBondContact CD1-O 3.29Å; L228-W234 HydrophobicContact CD2-CZ2 4.09Å; L228-W257 HydrophobicContact CD1-CH2 4.38Å; L228-W257 HydrophobicContact CD1-CZ3 3.98Å
229Q79.6Confident93.1Very high145 Ų14565.6 Ų65.668%0.67836%0.357SS*.  trans-117.3-71.2-178.9-67.1-176.48.500111.7P227P227-Q229 HydrophobicContact CB-CG 4.27Å; P227-Q229 HydrophobicContact CG-CG 4.05Å; P227-Q229 VanDerWaalsContact CG-NE2 3.29Å; P227-Q229 PolarHBondContact O-N 2.79Å; P227-Q229 VanDerWaalsContact O-N 3.14Å
230N82.3Confident92.9Very high158 Ų15863.4 Ų63.485%0.84535%0.354SS*.SBendtrans-95.5-14.4-160.4-62.1-22.6000114.2
231Y92.7Very high92.3Very high44 Ų4464.4 Ų64.417%0.17336%0.36CS..  trans-142.7129.9-176.3-179-100.1000109.9P186 K187 E189 N192 L228 N233 W257P186-Y231 WeakPolarHBondContact O-CD1 3.42Å; K187-Y231 WeakPolarHBondContact O-CB 3.04Å; E189-Y231 HydrophobicContact CB-CE2 3.81Å; E189-Y231 HydrophobicContact CG-CE2 4.48Å; N192-Y231 HydrophobicContact CB-CE1 3.79Å; N192-Y231 WeakPolarHBondContact CB-OH 3.29Å; N192-Y231 PolarHBondContact ND2-OH 3.24Å; L228-Y231 WeakPolarHBondContact CD1-O 3.29Å; Y231-N233 HydrophobicContact CE1-CB 4.37Å; Y231-W257 HydrophobicContact CD1-CH2 4.14Å; Y231-W257 HydrophobicContact CD1-CZ2 4.32Å; Y231-W257 HydrophobicContact CE1-CH2 4.1Å; Y231-W257 AromaticContact CE1-CZ2 3.83Å; Y231-W257 HydrophobicContact CE1-CZ2 3.83Å
232S94.8Very high91.1Very high59 Ų5965.2 Ų65.241%0.41337%0.366SS..  trans-145.9153.3166.5630000108.2W234S232-W234 VanDerWaalsContact CB-CD1 3.49Å
233N96.8Very high90.2Very high36 Ų3675 Ų7519%0.19341%0.405CS..  trans-127.742.1178.5-159.246.6000111.7N192 Y231 G255 R256 W257N192-N233 PolarHBondContact ND2-ND2 3.47Å; Y231-N233 HydrophobicContact CE1-CB 4.37Å; N233-G255 VanDerWaalsContact ND2-C 3.26Å; N233-G255 PolarHBondContact ND2-O 3.05Å; N233-R256 CarbonylContact O-C 3.53Å; N233-R256 VanDerWaalsContact O-CA 3.3Å; N233-R256 WeakPolarHBondContact O-CA 3.28Å; N233-W257 HydrophobicContact CB-CD2 4.15Å; N233-W257 HydrophobicContact CB-CG 4.39Å; N233-W257 HydrophobicContact CB-CZ2 4.01Å; N233-W257 PolarHBondContact O-N 2.92Å
234W96.8Very high89.6Confident33 Ų3376.2 Ų76.213%0.12542%0.419CS..BIsolated β-bridgetrans-53.2143.6177.9-63.6117.9000112.2Y220 L228 S232 E238 P239 V249 R256 W257 D259Y220-W234 AromaticContact CD1-CH2 3.79Å; Y220-W234 HydrophobicContact CD1-CH2 3.79Å; Y220-W234 AromaticContact CD1-CZ2 3.86Å; Y220-W234 HydrophobicContact CD1-CZ2 3.86Å; Y220-W234 HydrophobicContact CD2-CH2 4.48Å; Y220-W234 AromaticContact CD2-CZ2 4Å; Y220-W234 HydrophobicContact CD2-CZ2 4Å; Y220-W234 AromaticContact CE1-CH2 3.53Å; Y220-W234 HydrophobicContact CE1-CH2 3.53Å; Y220-W234 AromaticContact CE1-CZ2 3.98Å; Y220-W234 HydrophobicContact CE1-CZ2 3.98Å; Y220-W234 HydrophobicContact CE2-CH2 4.32Å; Y220-W234 HydrophobicContact CE2-CZ2 4.17Å; Y220-W234 HydrophobicContact CG-CH2 4.24Å; Y220-W234 AromaticContact CG-CZ2 3.84Å; Y220-W234 HydrophobicContact CG-CZ2 3.84Å; Y220-W234 AromaticContact CZ-CH2 3.84Å; L228-W234 HydrophobicContact CD2-CZ2 4.09Å; S232-W234 VanDerWaalsContact CB-CD1 3.49Å; W234-E238 HydrophobicContact CB-CB 4.33Å; W234-E238 WeakPolarHBondContact CB-O 3.34Å; W234-E238 HydrophobicContact CE3-CB 4.07Å; W234-P239 HydrophobicContact CD2-CG 4.49Å; W234-P239 HydrophobicContact CE3-CB 4.39Å; W234-P239 HydrophobicContact CH2-CB 4.14Å; W234-P239 HydrophobicContact CH2-CG 4.45Å; W234-P239 HydrophobicContact CZ2-CB 4.4Å; W234-P239 HydrophobicContact CZ2-CG 4.21Å; W234-P239 HydrophobicContact CZ3-CB 4.14Å; W234-V249 HydrophobicContact CH2-CG1 4.12Å; W234-V249 HydrophobicContact CH2-CG2 3.57Å; W234-V249 HydrophobicContact CZ3-CG1 3.94Å; W234-V249 HydrophobicContact CZ3-CG2 4.07Å; W234-R256 PolarHBondContact O-NH1 3.1Å; W234-W257 HydrophobicContact CD2-CB 4.34Å; W234-W257 HydrophobicContact CD2-CE3 4.36Å; W234-W257 HydrophobicContact CE3-CB 3.69Å; W234-W257 HydrophobicContact CZ2-CE3 4.47Å; W234-W257 HydrophobicContact CZ3-CB 4.01Å; W234-D259 HydrophobicContact CZ3-CB 4.43Å
235N96.7Very high89.2Confident56 Ų5679.6 Ų79.630%0.29943%0.432SS..PPolyproline II helixtrans-67.4162.5169.1-165.428.7000110.1G237 E238 R256 W257N235-G237 PolarHBondContact O-N 3.04Å; N235-G237 VanDerWaalsContact O-N 3.14Å; N235-E238 HydrophobicContact CB-CB 4.43Å; N235-E238 HydrophobicContact CB-CG 3.76Å; N235-E238 PolarHBondContact O-N 3.36Å; N235-E238 VanDerWaalsContact O-N 3.09Å; N235-R256 HydrophobicContact CB-CB 3.92Å; N235-W257 WeakPolarHBondContact CB-O 3.44Å; N235-W257 PolarHBondContact N-O 2.98Å
236E94.7Very high89.2Confident179 Ų17975 Ų7584%0.83641%0.407SS*.THydrogen-bonded Turntrans-62.7118177.7-174.5175.2-176.800110.1
237G91.6Very high89.3Confident62 Ų6274.8 Ų74.864%0.63940%0.404SS*.THydrogen-bonded Turntrans99.2-7.3-177.100000115.2N235N235-G237 PolarHBondContact O-N 3.04Å; N235-G237 VanDerWaalsContact O-N 3.14Å
238E93.6Very high89.4Confident44 Ų4471.6 Ų71.621%0.20638%0.384CS..  trans-103155.8-176.9-51.5-55162.400112.8W234 N235 S240 N258W234-E238 HydrophobicContact CB-CB 4.33Å; W234-E238 WeakPolarHBondContact CB-O 3.34Å; W234-E238 HydrophobicContact CE3-CB 4.07Å; N235-E238 HydrophobicContact CB-CB 4.43Å; N235-E238 HydrophobicContact CB-CG 3.76Å; N235-E238 PolarHBondContact O-N 3.36Å; N235-E238 VanDerWaalsContact O-N 3.09Å; E238-S240 WeakPolarHBondContact OE2-CB 3.49Å; E238-S240 PolarHBondContact OE2-N 3.11Å; E238-S240 PolarHBondContact OE2-OG 3.26Å; E238-N258 VanDerWaalsContact CD-OD1 3.28Å; E238-N258 WeakPolarHBondContact CG-OD1 3.45Å; E238-N258 PolarHBondContact OE1-OD1 3.19Å; E238-N258 VanDerWaalsContact OE1-OD1 3.11Å
239P90.1Very high89.7Confident55 Ų5569.7 Ų69.736%0.35737%0.374SS..SBendcis-72.6135.7-6.329.8-32.3000111.9Y220 W234 D259Y220-P239 HydrophobicContact CD2-CG 4.39Å; Y220-P239 HydrophobicContact CE2-CB 3.82Å; Y220-P239 HydrophobicContact CE2-CG 3.59Å; Y220-P239 VanDerWaalsContact OH-CB 3.25Å; Y220-P239 WeakPolarHBondContact OH-CB 3.47Å; W234-P239 HydrophobicContact CD2-CG 4.49Å; W234-P239 HydrophobicContact CE3-CB 4.39Å; W234-P239 HydrophobicContact CH2-CB 4.14Å; W234-P239 HydrophobicContact CH2-CG 4.45Å; W234-P239 HydrophobicContact CZ2-CB 4.4Å; W234-P239 HydrophobicContact CZ2-CG 4.21Å; W234-P239 HydrophobicContact CZ3-CB 4.14Å; P239-D259 VanDerWaalsContact CA-OD1 3.29Å; P239-D259 WeakPolarHBondContact CA-OD1 3.25Å; P239-D259 HydrophobicContact CB-CB 4.12Å; P239-D259 WeakPolarHBondContact CB-OD2 3.34Å
240S87.6Confident90.5Very high64 Ų6463.2 Ų63.245%0.44834%0.343SS..  trans-103.7-16.3-173.259.70000114.5E238 D259E238-S240 WeakPolarHBondContact OE2-CB 3.49Å; E238-S240 PolarHBondContact OE2-N 3.11Å; E238-S240 PolarHBondContact OE2-OG 3.26Å; S240-D259 PolarHBondContact N-OD1 2.95Å; S240-D259 PolarHBondContact N-OD2 3.1Å
241D84.1Confident91.3Very high39 Ų3955.7 Ų55.721%0.20930%0.303CS..  trans31.762.1-176.8-178.737.2000113.3Y243 G244 H245 E246 D259D241-Y243 PolarHBondContact O-N 3.25Å; D241-G244 PolarHBondContact O-N 2.95Å; D241-G244 VanDerWaalsContact OD1-C 3.26Å; D241-G244 WeakPolarHBondContact OD1-CA 3.36Å; D241-G244 PolarHBondContact OD1-N 3.04Å; D241-G244 WeakPolarHBondContact OD2-CA 3.16Å; D241-H245 PolarHBondContact OD1-N 3.34Å; D241-E246 PolarHBondContact OD1-N 3.25Å; D241-D259 WeakPolarHBondContact CA-OD2 3.38Å; D241-D259 PolarHBondContact N-OD2 2.8Å
242P71.5Confident91.5Very high47 Ų4755.7 Ų55.731%0.30531%0.306SS..THydrogen-bonded Turntrans-62114.4176.728.4-33.1000108.4G244 E246P242-G244 PolarHBondContact O-N 3.4Å; P242-E246 VanDerWaalsContact CD-CD 3.48Å; P242-E246 WeakPolarHBondContact CD-OE2 3.4Å; P242-E246 VanDerWaalsContact CG-CD 3.43Å; P242-E246 HydrophobicContact CG-CG 3.95Å; P242-E246 VanDerWaalsContact CG-OE2 3.3Å; P242-E246 WeakPolarHBondContact CG-OE2 3.43Å
243Y76.7Confident91.6Very high215 Ų21555.2 Ų55.284%0.84330%0.302SS*.THydrogen-bonded Turntrans75.75.1175.5-43.6-80.8000117.2D241D241-Y243 PolarHBondContact O-N 3.25Å
244G82.7Confident91.6Very high34 Ų3457.3 Ų57.335%0.35132%0.32SS..SBendtrans84.525.6173.600000115.2D241 P242D241-G244 PolarHBondContact O-N 2.95Å; D241-G244 VanDerWaalsContact OD1-C 3.26Å; D241-G244 WeakPolarHBondContact OD1-CA 3.36Å; D241-G244 PolarHBondContact OD1-N 3.04Å; D241-G244 WeakPolarHBondContact OD2-CA 3.16Å; P242-G244 PolarHBondContact O-N 3.4Å
245H87.8Confident91.6Very high126 Ų12655.8 Ų55.858%0.58331%0.314SS*.  trans-135.74.9-168.2-60.7-30.2000113.8D241 D247D241-H245 PolarHBondContact OD1-N 3.34Å; H245-D247 PolarHBondContact O-N 2.88Å
246E92.4Very high91.6Very high23 Ų2358.2 Ų58.211%0.10732%0.32CS..  trans-99.860.6-176.9-65.6-150.6139.800112.5D241 P242 C248 D259 T260 E261D241-E246 PolarHBondContact OD1-N 3.25Å; P242-E246 VanDerWaalsContact CD-CD 3.48Å; P242-E246 WeakPolarHBondContact CD-OE2 3.4Å; P242-E246 VanDerWaalsContact CG-CD 3.43Å; P242-E246 HydrophobicContact CG-CG 3.95Å; P242-E246 VanDerWaalsContact CG-OE2 3.3Å; P242-E246 WeakPolarHBondContact CG-OE2 3.43Å; E246-C248 VanDerWaalsContact C-N 3.25Å; E246-C248 PolarHBondContact O-N 2.93Å; E246-D259 HydrophobicContact CB-CB 4.13Å; E246-T260 CarbonylContact C-O 3.49Å; E246-E261 HydrophobicContact CG-CG 4.24Å
247D95.6Very high91.8Very high44 Ų4449.7 Ų49.724%0.23528%0.28CS..  trans-78.90.6-172.6-48.1-58.4000115.4N212 D213 L214 H245N212-D247 VanDerWaalsContact CA-O 3.23Å; N212-D247 WeakPolarHBondContact CA-O 3.23Å; N212-D247 WeakPolarHBondContact CB-O 3.45Å; D213-D247 PolarHBondContact N-O 3.37Å; D213-D247 VanDerWaalsContact N-O 3.11Å; D213-D247 WeakPolarHBondContact OD1-CA 3.44Å; L214-D247 HydrophobicContact CD2-CB 3.62Å; L214-D247 HydrophobicContact CG-CB 3.98Å; H245-D247 PolarHBondContact O-N 2.88Å
248C97.3Very high92.1Very high0 Ų048.2 Ų48.20%026%0.257CS..EExtended strand (participates in β ladder)trans-124.9154.1-170.2-73.70000111.8Y169 F208 E246 D259 T260 C262Y169-C248 WeakPolarHBondContact CB-SG 3.44Å; Y169-C248 HydrophobicContact CD1-CB 4.49Å; Y169-C248 WeakPolarHBondContact CD1-SG 3.24Å; Y169-C248 HydrophobicContact CD2-CB 3.75Å; Y169-C248 VanDerWaalsContact CD2-SG 3.59Å; Y169-C248 HydrophobicContact CE2-CB 4.08Å; Y169-C248 HydrophobicContact CG-CB 3.97Å; F208-C248 HydrophobicContact CE1-CB 4.36Å; E246-C248 VanDerWaalsContact C-N 3.25Å; E246-C248 PolarHBondContact O-N 2.93Å; C248-D259 CarbonylContact O-C 3.59Å; C248-D259 VanDerWaalsContact O-CA 3.29Å; C248-D259 WeakPolarHBondContact O-CA 3.27Å; C248-T260 WeakPolarHBondContact CB-O 3.42Å; C248-T260 PolarHBondContact N-O 2.86Å; C248-T260 PolarHBondContact O-N 3Å; C248-C262 HydrophobicContact CB-CB 3.96Å; C248-C262 WeakPolarHBondContact CB-SG 3.3Å; C248-C262 PolarHBondContact N-SG 2.9Å; C248-C262 WeakPolarHBondContact SG-CA 3.18Å; C248-C262 WeakPolarHBondContact SG-CB 3.12Å; C248-C262 CovalentContact SG-SG 2.02Å; C248-C262 PolarHBondContact SG-SG 2.77Å
249V97.9Very high92.2Very high0 Ų046.1 Ų46.10%025%0.247CC..EExtended strand (participates in β ladder)trans-117.3130.5-174.1-175.20000112.6I209 V211 Y220 W234 W257 N258I209-V249 HydrophobicContact CD1-CB 4.46Å; I209-V249 HydrophobicContact CD1-CG1 3.74Å; I209-V249 HydrophobicContact CG1-CB 4.1Å; I209-V249 HydrophobicContact CG1-CG1 3.84Å; I209-V249 PolarHBondContact N-O 2.73Å; I209-V249 VanDerWaalsContact N-O 3.13Å; V211-V249 HydrophobicContact CB-CB 3.89Å; V211-V249 HydrophobicContact CB-CG1 4.34Å; V211-V249 HydrophobicContact CB-CG2 3.78Å; V211-V249 HydrophobicContact CG1-CB 4.45Å; V211-V249 HydrophobicContact CG1-CG2 3.82Å; V211-V249 WeakPolarHBondContact O-CB 3.29Å; V211-V249 WeakPolarHBondContact O-CG2 3.4Å; V211-V249 PolarHBondContact O-N 3.42Å; Y220-V249 HydrophobicContact CD1-CG2 3.92Å; Y220-V249 HydrophobicContact CE1-CG2 3.71Å; W234-V249 HydrophobicContact CH2-CG1 4.12Å; W234-V249 HydrophobicContact CH2-CG2 3.57Å; W234-V249 HydrophobicContact CZ3-CG1 3.94Å; W234-V249 HydrophobicContact CZ3-CG2 4.07Å; V249-W257 HydrophobicContact CG1-CB 3.87Å; V249-W257 HydrophobicContact CG1-CG 4.34Å; V249-N258 WeakPolarHBondContact CA-O 3.35Å
250E97.6Very high92.4Very high10 Ų1043.8 Ų43.85%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-103.1147.6166.665.2172.4-135.200111.9R206 V207 W257 N258 T260 M266R206-E250 WeakPolarHBondContact CD-OE1 3.39Å; R206-E250 WeakPolarHBondContact CD-OE2 3.22Å; R206-E250 IonicContact CZ-OE2 3.72Å; R206-E250 IonicContact NE-OE2 3.82Å; R206-E250 IonicContact NH1-OE1 3.51Å; R206-E250 IonicContact NH1-OE2 3.04Å; R206-E250 PolarHBondContact NH1-OE2 3.21Å; V207-E250 CarbonylContact O-C 3.17Å; V207-E250 VanDerWaalsContact O-CA 3.29Å; V207-E250 WeakPolarHBondContact O-CA 3.46Å; E250-W257 WeakPolarHBondContact O-CA 3.42Å; E250-N258 HydrophobicContact CG-CB 3.82Å; E250-N258 PolarHBondContact N-O 3.36Å; E250-N258 PolarHBondContact O-N 2.96Å; E250-T260 HydrophobicContact CB-CG2 4.29Å; E250-T260 HydrophobicContact CG-CG2 4.2Å; E250-M266 HydrophobicContact CB-CE 4.36Å; E250-M266 HydrophobicContact CB-SD 3.85Å; E250-M266 WeakPolarHBondContact OE2-CE 3.41Å
251M98.3Very high92.8Very high0 Ų044 Ų440%023%0.226CC..EExtended strand (participates in β ladder)trans-106.8125.9170.5177.4-175.1-75.800109.3P186 N192 I195 A196 R206 V207 I209P186-M251 HydrophobicContact CB-CE 4.27Å; P186-M251 HydrophobicContact CG-CE 3.98Å; N192-M251 VanDerWaalsContact OD1-CE 3.27Å; N192-M251 WeakPolarHBondContact OD1-CE 3.4Å; I195-M251 HydrophobicContact CB-CE 4.28Å; I195-M251 HydrophobicContact CB-SD 4.05Å; I195-M251 HydrophobicContact CG2-CE 4.11Å; I195-M251 HydrophobicContact CG2-SD 3.55Å; I195-M251 VanDerWaalsContact CG2-SD 3.55Å; A196-M251 HydrophobicContact CB-SD 4.37Å; R206-M251 CarbonylContact C-O 3.46Å; R206-M251 VanDerWaalsContact CA-O 3.25Å; R206-M251 WeakPolarHBondContact CA-O 3.29Å; V207-M251 HydrophobicContact CG2-CB 4.22Å; V207-M251 PolarHBondContact N-O 2.89Å; V207-M251 PolarHBondContact O-N 2.83Å; I209-M251 HydrophobicContact CD1-CB 4.27Å; I209-M251 HydrophobicContact CD1-CE 4.37Å; I209-M251 HydrophobicContact CG2-CB 3.55Å; I209-M251 HydrophobicContact CG2-CE 4.08Å; I209-M251 HydrophobicContact CG2-SD 4.39Å
252L97.6Very high93.4Very high43 Ų4343.5 Ų43.523%0.22523%0.225CC..EExtended strand (participates in β ladder)trans-77.1162.5174-57.4179000111.4F205 R206 S254 G255 R256F205-L252 CarbonylContact O-C 3.56Å; F205-L252 WeakPolarHBondContact O-CA 3.49Å; R206-L252 HydrophobicContact CB-CD2 3.99Å; L252-S254 PolarHBondContact O-N 2.82Å; L252-S254 VanDerWaalsContact O-N 3.1Å; L252-G255 WeakPolarHBondContact O-CA 3.17Å; L252-G255 PolarHBondContact O-N 3.14Å; L252-R256 PolarHBondContact N-O 3.04Å
253S96Very high94.6Very high49 Ų4947.4 Ų47.434%0.34324%0.239SC..THydrogen-bonded Turntrans-62.3-17.617564.30000113.7F204 F205F204-S253 WeakPolarHBondContact O-CB 3.16Å; F205-S253 PolarHBondContact O-N 2.87Å
254S96.5Very high95.6Very high80 Ų8039.8 Ų39.856%0.55921%0.212SC*.THydrogen-bonded Turntrans-75.1-11.3170620000113.2L252 R256L252-S254 PolarHBondContact O-N 2.82Å; L252-S254 VanDerWaalsContact O-N 3.1Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact OG-N 3.33Å
255G97.2Very high96.3Very high1 Ų141.8 Ų41.81%0.0122%0.218CC..SBendtrans85.9-8-171.700000114.3N233 L252 W257N233-G255 VanDerWaalsContact ND2-C 3.26Å; N233-G255 PolarHBondContact ND2-O 3.05Å; L252-G255 WeakPolarHBondContact O-CA 3.17Å; L252-G255 PolarHBondContact O-N 3.14Å; G255-W257 VanDerWaalsContact O-CD1 3.26Å; G255-W257 PolarHBondContact O-NE1 3.44Å
256R98.1Very high96.8Very high108 Ų10836.2 Ų36.241%0.40819%0.193SC..  trans-71.5148.2177.2-65-60.3-172.1117.85.3111.5N233 W234 N235 L252 S254N233-R256 CarbonylContact O-C 3.53Å; N233-R256 VanDerWaalsContact O-CA 3.3Å; N233-R256 WeakPolarHBondContact O-CA 3.28Å; W234-R256 PolarHBondContact O-NH1 3.1Å; N235-R256 HydrophobicContact CB-CB 3.92Å; L252-R256 PolarHBondContact N-O 3.04Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact OG-N 3.33Å
257W98.1Very high97Very high0 Ų038.4 Ų38.40%020%0.2CC..EExtended strand (participates in β ladder)trans-102.1145.8-177.8-53.4-9.2000111.1P186 N192 I209 V211 L228 Y231 N233 W234 N235 V249 E250 G255P186-W257 HydrophobicContact CB-CZ2 3.86Å; P186-W257 HydrophobicContact CG-CH2 3.97Å; P186-W257 HydrophobicContact CG-CZ2 3.32Å; N192-W257 PolarHBondContact OD1-NE1 3.48Å; I209-W257 HydrophobicContact CD1-CD2 3.92Å; I209-W257 HydrophobicContact CD1-CG 4Å; V211-W257 HydrophobicContact CG2-CZ3 4.39Å; L228-W257 HydrophobicContact CD1-CH2 4.38Å; L228-W257 HydrophobicContact CD1-CZ3 3.98Å; Y231-W257 HydrophobicContact CD1-CH2 4.14Å; Y231-W257 HydrophobicContact CD1-CZ2 4.32Å; Y231-W257 HydrophobicContact CE1-CH2 4.1Å; Y231-W257 AromaticContact CE1-CZ2 3.83Å; Y231-W257 HydrophobicContact CE1-CZ2 3.83Å; N233-W257 HydrophobicContact CB-CD2 4.15Å; N233-W257 HydrophobicContact CB-CG 4.39Å; N233-W257 HydrophobicContact CB-CZ2 4.01Å; N233-W257 PolarHBondContact O-N 2.92Å; W234-W257 HydrophobicContact CD2-CB 4.34Å; W234-W257 HydrophobicContact CD2-CE3 4.36Å; W234-W257 HydrophobicContact CE3-CB 3.69Å; W234-W257 HydrophobicContact CZ2-CE3 4.47Å; W234-W257 HydrophobicContact CZ3-CB 4.01Å; N235-W257 WeakPolarHBondContact CB-O 3.44Å; N235-W257 PolarHBondContact N-O 2.98Å; V249-W257 HydrophobicContact CG1-CB 3.87Å; V249-W257 HydrophobicContact CG1-CG 4.34Å; E250-W257 WeakPolarHBondContact O-CA 3.42Å; G255-W257 VanDerWaalsContact O-CD1 3.26Å; G255-W257 PolarHBondContact O-NE1 3.44Å
258N96.9Very high97.2Very high30 Ų3036.3 Ų36.316%0.1619%0.189CC..EExtended strand (participates in β ladder)trans-132.3132.5174.5-151.283.9000107.4E238 V249 E250E238-N258 VanDerWaalsContact CD-OD1 3.28Å; E238-N258 WeakPolarHBondContact CG-OD1 3.45Å; E238-N258 PolarHBondContact OE1-OD1 3.19Å; E238-N258 VanDerWaalsContact OE1-OD1 3.11Å; V249-N258 WeakPolarHBondContact CA-O 3.35Å; E250-N258 HydrophobicContact CG-CB 3.82Å; E250-N258 PolarHBondContact N-O 3.36Å; E250-N258 PolarHBondContact O-N 2.96Å
259D95.7Very high97.2Very high0 Ų036.3 Ų36.30%019%0.189CC..EExtended strand (participates in β ladder)trans-66.9151.7161.252.8-34.7000109.7Y220 W234 P239 S240 D241 E246 C248Y220-D259 WeakPolarHBondContact OH-CB 3.31Å; W234-D259 HydrophobicContact CZ3-CB 4.43Å; P239-D259 VanDerWaalsContact CA-OD1 3.29Å; P239-D259 WeakPolarHBondContact CA-OD1 3.25Å; P239-D259 HydrophobicContact CB-CB 4.12Å; P239-D259 WeakPolarHBondContact CB-OD2 3.34Å; S240-D259 PolarHBondContact N-OD1 2.95Å; S240-D259 PolarHBondContact N-OD2 3.1Å; D241-D259 WeakPolarHBondContact CA-OD2 3.38Å; D241-D259 PolarHBondContact N-OD2 2.8Å; E246-D259 HydrophobicContact CB-CB 4.13Å; C248-D259 CarbonylContact O-C 3.59Å; C248-D259 VanDerWaalsContact O-CA 3.29Å; C248-D259 WeakPolarHBondContact O-CA 3.27Å
260T95.6Very high97.2Very high6 Ų636.3 Ų36.34%0.03719%0.189CC..EExtended strand (participates in β ladder)trans-162.6157.3-173.7-158.60000111.2F208 E246 C248 E250 C262 L264 M266F208-T260 HydrophobicContact CE1-CG2 3.74Å; E246-T260 CarbonylContact C-O 3.49Å; C248-T260 WeakPolarHBondContact CB-O 3.42Å; C248-T260 PolarHBondContact N-O 2.86Å; C248-T260 PolarHBondContact O-N 3Å; E250-T260 HydrophobicContact CB-CG2 4.29Å; E250-T260 HydrophobicContact CG-CG2 4.2Å; T260-C262 PolarHBondContact O-N 2.7Å; T260-L264 WeakPolarHBondContact OG1-CD1 3.37Å; T260-M266 HydrophobicContact CG2-CE 4.22Å
261E96.1Very high97.2Very high70 Ų7036.1 Ų36.133%0.32719%0.188SC..  trans-59.7122.5175.5-64.3169.5-173.300112E246 H263 L264E246-E261 HydrophobicContact CG-CG 4.24Å; E261-H263 PolarHBondContact O-N 3.02Å; E261-H263 IonicContact OE2-CE1 2.7Å; E261-H263 PolarHBondContact OE2-CE1 3.2Å; E261-H263 IonicContact OE2-ND1 2.75Å; E261-H263 IonicContact OE2-NE2 2.79Å; E261-H263 PolarHBondContact OE2-NE2 2.85Å; E261-L264 HydrophobicContact CB-CD1 4.11Å; E261-L264 HydrophobicContact CB-CG 4.01Å; E261-L264 WeakPolarHBondContact O-CB 3.23Å; E261-L264 PolarHBondContact O-N 2.88Å; E261-L264 VanDerWaalsContact O-N 3.11Å
262C96.8Very high97Very high27 Ų2737.1 Ų37.118%0.18219%0.192CC..THydrogen-bonded Turntrans-61.5-19.9-176.4-64.90000115.6Y169 C248 T260Y169-C262 WeakPolarHBondContact CB-O 3.03Å; Y169-C262 PolarHBondContact N-O 2.79Å; Y169-C262 VanDerWaalsContact N-O 3.09Å; C248-C262 HydrophobicContact CB-CB 3.96Å; C248-C262 WeakPolarHBondContact CB-SG 3.3Å; C248-C262 PolarHBondContact N-SG 2.9Å; C248-C262 WeakPolarHBondContact SG-CA 3.18Å; C248-C262 WeakPolarHBondContact SG-CB 3.12Å; C248-C262 CovalentContact SG-SG 2.02Å; C248-C262 PolarHBondContact SG-SG 2.77Å; T260-C262 PolarHBondContact O-N 2.7Å
263H96.5Very high96.8Very high129 Ų12941.2 Ų41.260%0.59721%0.213SC*.THydrogen-bonded Turntrans-83.7-13.5-179.364.765.7000113.3E261E261-H263 PolarHBondContact O-N 3.02Å; E261-H263 IonicContact OE2-CE1 2.7Å; E261-H263 PolarHBondContact OE2-CE1 3.2Å; E261-H263 IonicContact OE2-ND1 2.75Å; E261-H263 IonicContact OE2-NE2 2.79Å; E261-H263 PolarHBondContact OE2-NE2 2.85Å
264L96.7Very high96.6Very high55 Ų5541.9 Ų41.929%0.28821%0.21SC..  trans-62144174.7-65.4175.9000110.1N168 F208 T260 E261 M266N168-L264 WeakPolarHBondContact CA-O 3.41Å; F208-L264 VanDerWaalsContact CE2-O 3.29Å; F208-L264 WeakPolarHBondContact CE2-O 3.33Å; F208-L264 VanDerWaalsContact CZ-O 3.29Å; F208-L264 WeakPolarHBondContact CZ-O 3.37Å; T260-L264 WeakPolarHBondContact OG1-CD1 3.37Å; E261-L264 HydrophobicContact CB-CD1 4.11Å; E261-L264 HydrophobicContact CB-CG 4.01Å; E261-L264 WeakPolarHBondContact O-CB 3.23Å; E261-L264 PolarHBondContact O-N 2.88Å; E261-L264 VanDerWaalsContact O-N 3.11Å; L264-M266 HydrophobicContact CB-CE 4.26Å
265T97.9Very high96Very high77 Ų7747.5 Ų47.547%0.47223%0.225SC..  trans-102.2128178.656.30000110K167 N168K167-T265 WeakPolarHBondContact O-CA 3.29Å; N168-T265 HydrophobicContact CB-CG2 4.42Å
266M97.4Very high95Very high9 Ų956.2 Ų56.24%0.04426%0.262CS..EExtended strand (participates in β ladder)trans-153.7174.7174.662.4-174.980.100110.5E166 K167 F208 E250 T260 L264E166-M266 WeakPolarHBondContact CA-O 3.47Å; K167-M266 PolarHBondContact N-O 2.79Å; K167-M266 VanDerWaalsContact N-O 3.12Å; K167-M266 PolarHBondContact O-N 3.43Å; K167-M266 VanDerWaalsContact O-N 3.17Å; F208-M266 HydrophobicContact CD1-CE 4.17Å; F208-M266 HydrophobicContact CD1-CG 4.22Å; F208-M266 HydrophobicContact CD1-SD 3.79Å; F208-M266 HydrophobicContact CD2-CG 3.36Å; F208-M266 HydrophobicContact CD2-SD 4.05Å; F208-M266 HydrophobicContact CE1-CE 3.63Å; F208-M266 HydrophobicContact CE1-CG 4.31Å; F208-M266 HydrophobicContact CE1-SD 3.89Å; F208-M266 HydrophobicContact CE2-CE 4.11Å; F208-M266 HydrophobicContact CE2-CG 3.46Å; F208-M266 VanDerWaalsContact CE2-CG 3.46Å; F208-M266 HydrophobicContact CE2-SD 4.14Å; F208-M266 HydrophobicContact CG-CG 3.77Å; F208-M266 HydrophobicContact CG-SD 3.87Å; F208-M266 HydrophobicContact CZ-CE 3.59Å; F208-M266 HydrophobicContact CZ-CG 3.95Å; F208-M266 HydrophobicContact CZ-SD 4.07Å; E250-M266 HydrophobicContact CB-CE 4.36Å; E250-M266 HydrophobicContact CB-SD 3.85Å; E250-M266 WeakPolarHBondContact OE2-CE 3.41Å; T260-M266 HydrophobicContact CG2-CE 4.22Å; L264-M266 HydrophobicContact CB-CE 4.26Å
267Y97.9Very high93Very high68 Ų6864.4 Ų64.427%0.26730%0.3SS..EExtended strand (participates in β ladder)trans-68.7160.4170.6-57.5-58.3000111V163 Q164 E166 F204 V207 F208V163-Y267 WeakPolarHBondContact O-CD1 3.46Å; Q164-Y267 VanDerWaalsContact C-CD1 3.49Å; Q164-Y267 HydrophobicContact CB-CE1 4.41Å; E166-Y267 HydrophobicContact CG-CD1 4.11Å; E166-Y267 HydrophobicContact CG-CE1 3.73Å; E166-Y267 HydrophobicContact CG-CE2 4.42Å; F204-Y267 AromaticContact CD1-CD2 3.39Å; F204-Y267 HydrophobicContact CD1-CD2 3.39Å; F204-Y267 AromaticContact CD1-CE2 3.81Å; F204-Y267 HydrophobicContact CD1-CE2 3.81Å; F204-Y267 HydrophobicContact CD1-CG 4.17Å; F204-Y267 AromaticContact CE1-CD2 3.49Å; F204-Y267 HydrophobicContact CE1-CD2 3.49Å; F204-Y267 VanDerWaalsContact CE1-CD2 3.49Å; F204-Y267 AromaticContact CE1-CE2 3.62Å; F204-Y267 HydrophobicContact CE1-CE2 3.62Å; F204-Y267 HydrophobicContact CE1-CG 4.04Å; F204-Y267 HydrophobicContact CG-CD2 4.43Å; V207-Y267 CarbonylContact C-O 3.5Å; V207-Y267 WeakPolarHBondContact CA-O 3.41Å; V207-Y267 WeakPolarHBondContact CB-O 2.94Å; F208-Y267 PolarHBondContact N-O 2.81Å
268F98.3Very high92.8Very high0 Ų067.6 Ų67.60%032%0.316CS..EExtended strand (participates in β ladder)trans-148.1155.7-174.358.9-85.5000111.6V163 E165 K167 S172 H175 L183 F208V163-F268 HydrophobicContact CB-CD1 4.23Å; V163-F268 HydrophobicContact CB-CD2 4.05Å; V163-F268 HydrophobicContact CB-CE1 3.83Å; V163-F268 HydrophobicContact CB-CE2 3.66Å; V163-F268 HydrophobicContact CB-CG 4.33Å; V163-F268 HydrophobicContact CB-CZ 3.54Å; V163-F268 HydrophobicContact CG1-CE1 3.77Å; V163-F268 HydrophobicContact CG1-CE2 4.08Å; V163-F268 HydrophobicContact CG1-CZ 3.47Å; V163-F268 VanDerWaalsContact CG1-CZ 3.47Å; V163-F268 HydrophobicContact CG2-CD2 4Å; V163-F268 HydrophobicContact CG2-CE2 3.49Å; V163-F268 VanDerWaalsContact CG2-CE2 3.49Å; V163-F268 HydrophobicContact CG2-CZ 3.82Å; V163-F268 PolarHBondContact N-O 2.71Å; E165-F268 WeakPolarHBondContact O-CE1 3.41Å; K167-F268 HydrophobicContact CB-CD1 4.42Å; K167-F268 HydrophobicContact CB-CE1 3.93Å; K167-F268 HydrophobicContact CD-CE1 3.87Å; K167-F268 HydrophobicContact CD-CZ 4.05Å; K167-F268 HydrophobicContact CG-CE1 3.95Å; S172-F268 VanDerWaalsContact OG-CD1 3.25Å; S172-F268 WeakPolarHBondContact OG-CD1 3.33Å; H175-F268 HydrophobicContact CB-CE2 3.89Å; H175-F268 HydrophobicContact CB-CZ 3.7Å; H175-F268 AromaticContact CG-CE2 3.87Å; H175-F268 AromaticContact CG-CZ 3.53Å; H175-F268 AromaticContact ND1-CE2 3.49Å; H175-F268 WeakPolarHBondContact ND1-CE2 3.4Å; H175-F268 AromaticContact ND1-CZ 3.43Å; H175-F268 WeakPolarHBondContact ND1-CZ 3.47Å; L183-F268 HydrophobicContact CD2-CB 3.89Å; L183-F268 HydrophobicContact CD2-CD2 3.78Å; L183-F268 HydrophobicContact CD2-CG 4.23Å; F208-F268 HydrophobicContact CB-CB 3.82Å
269V98.1Very high92.5Very high0 Ų069.6 Ų69.60%032%0.324CS..EExtended strand (participates in β ladder)trans-105.7123.5-179.7-165.90000109.3I162 L183 A184 I195 V199 V207 F208I162-V269 HydrophobicContact CG1-CG1 4.46Å; I162-V269 HydrophobicContact CG1-CG2 4.05Å; L183-V269 CarbonylContact C-O 3.48Å; L183-V269 WeakPolarHBondContact CA-O 3.42Å; A184-V269 HydrophobicContact CB-CB 3.81Å; A184-V269 HydrophobicContact CB-CG1 3.8Å; A184-V269 PolarHBondContact N-O 3.49Å; I195-V269 HydrophobicContact CG2-CG1 4.31Å; I195-V269 HydrophobicContact CG2-CG2 4.13Å; V199-V269 HydrophobicContact CG2-CG2 4.25Å; V207-V269 HydrophobicContact CB-CG2 4.08Å; V207-V269 HydrophobicContact CG1-CG2 4.45Å; V207-V269 HydrophobicContact CG2-CG2 3.61Å; F208-V269 PolarHBondContact O-N 2.85Å
270C97.7Very high92.4Very high0 Ų073.4 Ų73.40%034%0.342CS..EExtended strand (participates in β ladder)trans-92.1143.1167.8-61.40000110.7Y160 Y161 C176 M182 F272Y160-C270 VanDerWaalsContact CA-O 3.31Å; Y160-C270 WeakPolarHBondContact CA-O 3.27Å; Y161-C270 PolarHBondContact N-O 2.77Å; Y161-C270 PolarHBondContact O-N 3.31Å; C176-C270 VanDerWaalsContact CA-SG 3.52Å; C176-C270 HydrophobicContact CB-CB 3.84Å; C176-C270 WeakPolarHBondContact CB-SG 3.08Å; C176-C270 WeakPolarHBondContact SG-CA 3.25Å; C176-C270 WeakPolarHBondContact SG-CB 3.31Å; C176-C270 CovalentContact SG-SG 2.04Å; C176-C270 PolarHBondContact SG-SG 2.91Å; M182-C270 CarbonylContact O-C 3.3Å; M182-C270 VanDerWaalsContact O-CA 3.28Å; M182-C270 WeakPolarHBondContact O-CA 3.29Å; C270-F272 HydrophobicContact CB-CD2 4.38Å; C270-F272 HydrophobicContact CB-CE2 3.52Å; C270-F272 HydrophobicContact CB-CZ 3.9Å
271E96.9Very high92.2Very high7 Ų777.4 Ų77.43%0.03336%0.36CS..EExtended strand (participates in β ladder)trans-113.4142.4170.5173.9-175.8138.700110.3K158 Y160 G181 M182 A184 M185K158-E271 HydrophobicContact CB-CG 4.49Å; K158-E271 HydrophobicContact CD-CG 4.08Å; K158-E271 VanDerWaalsContact CD-OE1 3.23Å; K158-E271 WeakPolarHBondContact CD-OE1 3.31Å; K158-E271 WeakPolarHBondContact CE-OE1 3.39Å; K158-E271 IonicContact NZ-OE1 3.83Å; K158-E271 PolarHBondContact NZ-OE1 3.11Å; K158-E271 IonicContact NZ-OE2 2.84Å; Y160-E271 HydrophobicContact CD1-CB 3.88Å; Y160-E271 HydrophobicContact CD1-CG 4.14Å; Y160-E271 HydrophobicContact CE1-CB 3.82Å; Y160-E271 HydrophobicContact CE1-CG 3.68Å; Y160-E271 WeakPolarHBondContact CE1-OE2 3.33Å; G181-E271 CarbonylContact C-O 3.49Å; G181-E271 WeakPolarHBondContact CA-O 3.35Å; M182-E271 PolarHBondContact N-O 2.67Å; M182-E271 PolarHBondContact O-N 3Å; A184-E271 HydrophobicContact CB-CB 4.17Å; M185-E271 PolarHBondContact N-OE2 3.34Å
272F95.6Very high91.9Very high20 Ų2077.9 Ų77.99%0.08836%0.362CS..EExtended strand (participates in β ladder)trans-135.5136.2178.5-59.7-94.3000110.6K158 F159 R179 C270K158-F272 CarbonylContact C-O 3.53Å; K158-F272 WeakPolarHBondContact CA-O 3.14Å; F159-F272 HydrophobicContact CD1-CB 3.72Å; F159-F272 HydrophobicContact CD2-CB 3.92Å; F159-F272 AromaticContact CD2-CD2 3.64Å; F159-F272 HydrophobicContact CD2-CD2 3.64Å; F159-F272 HydrophobicContact CD2-CG 4.07Å; F159-F272 HydrophobicContact CE1-CB 3.26Å; F159-F272 HydrophobicContact CE1-CG 4.03Å; F159-F272 HydrophobicContact CE2-CB 3.49Å; F159-F272 VanDerWaalsContact CE2-CB 3.49Å; F159-F272 HydrophobicContact CE2-CD1 4.22Å; F159-F272 AromaticContact CE2-CD2 3.17Å; F159-F272 HydrophobicContact CE2-CD2 3.17Å; F159-F272 AromaticContact CE2-CE2 3.9Å; F159-F272 HydrophobicContact CE2-CE2 3.9Å; F159-F272 AromaticContact CE2-CG 3.37Å; F159-F272 HydrophobicContact CE2-CG 3.37Å; F159-F272 HydrophobicContact CG-CB 4.04Å; F159-F272 HydrophobicContact CZ-CB 3.14Å; F159-F272 AromaticContact CZ-CD1 3.98Å; F159-F272 HydrophobicContact CZ-CD1 3.98Å; F159-F272 AromaticContact CZ-CD2 3.72Å; F159-F272 HydrophobicContact CZ-CD2 3.72Å; F159-F272 AromaticContact CZ-CG 3.35Å; F159-F272 HydrophobicContact CZ-CG 3.35Å; F159-F272 PolarHBondContact N-O 3.11Å; F159-F272 PolarHBondContact O-N 3.07Å; R179-F272 HydrophobicContact CB-CE1 3.79Å; R179-F272 HydrophobicContact CB-CZ 4.08Å; R179-F272 WeakPolarHBondContact O-CE1 3.31Å; C270-F272 HydrophobicContact CB-CD2 4.38Å; C270-F272 HydrophobicContact CB-CE2 3.52Å; C270-F272 HydrophobicContact CB-CZ 3.9Å
273I93.4Very high91.6Very high130 Ų13081.3 Ų81.367%0.66737%0.374SS*.EExtended strand (participates in β ladder)trans-83.6129.6178.6-56.6172.5000109.5K275I273-K275 PolarHBondContact O-N 3.09Å
274K92.1Very high91.2Very high62 Ų6277.9 Ų77.927%0.2736%0.358SS..PPolyproline II helixtrans-73.1122.9172.8-67.8179.2167.8-170.60109E154 T155 E156 E157 K158 F159 K276E154-K274 WeakPolarHBondContact OE2-CE 3.41Å; E154-K274 IonicContact OE2-NZ 3.44Å; E154-K274 PolarHBondContact OE2-NZ 3.44Å; T155-K274 VanDerWaalsContact O-CE 3.29Å; T155-K274 WeakPolarHBondContact O-CE 3.4Å; T155-K274 PolarHBondContact O-NZ 3.06Å; E156-K274 WeakPolarHBondContact O-CD 3.3Å; E157-K274 WeakPolarHBondContact O-CB 3.33Å; E157-K274 PolarHBondContact O-N 2.84Å; K158-K274 WeakPolarHBondContact O-CE 3.48Å; F159-K274 HydrophobicContact CD1-CG 4.21Å; K274-K276 PolarHBondContact O-N 3.14Å
275K83.6Confident90.8Very high199 Ų19979.6 Ų79.687%0.86536%0.363SS*.PPolyproline II helixtrans-63.2118.9170.6-67.5-175.3177.8-177.70108.6I273 K277I273-K275 PolarHBondContact O-N 3.09Å; K275-K277 PolarHBondContact O-N 2.95Å
276K76.3Confident90.2Very high183 Ų18379.8 Ų79.880%0.79635%0.354SS*.PPolyproline II helixtrans-58.8127.5169.2-72-175.1177.5178.60107.6E157 K274E157-K276 IonicContact OE1-NZ 3.06Å; K274-K276 PolarHBondContact O-N 3.14Å
277K55.5Low89.6Confident280 Ų28086.3 Ų86.3100%1.21738%0.382SS*.  trans-77.30176-82.1-172.2175.7-176.40110.7K275K275-K277 PolarHBondContact O-N 2.95Å

Retrieved 277 of 277 residues in 73.1 ms (Link to these results)