A0A077YVP9_TRITR Loading...

Small heat shock protein

AlphaFold DB , UniProt , Accession A0A077YVP9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 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
1M44.7Very low43.2Very low245 Ų245160.5 Ų160.5100%1.20784%0.842SS**  094.30-64.9173.995.900108.3
2S53.5Low42.4Very low122 Ų122157.4 Ų157.485%0.85383%0.834SS**  trans-173.1118.1151.952.50000107.7
3S45.4Very low41.4Very low127 Ų127152.6 Ų152.689%0.88882%0.821SS**  trans-87.4133.5-177.4-178.50000109.4
4T53.5Low41Very low136 Ų136150.1 Ų150.183%0.83482%0.819SS**  trans-91.7122.1175.4-28.60000108.5
5Q46.8Very low40.1Very low191 Ų191152.5 Ų152.589%0.89381%0.811SS**  trans-94.1112.1174.8-167.9172.821.500109.6
6S42.4Very low39.6Very low105 Ų105153.3 Ų153.373%0.73482%0.815SS**  trans-85.3124.217145.70000110.4
7Y38.3Very low39.2Very low203 Ų203152.3 Ų152.380%0.79681%0.811SS**  trans-91.3115.4173.8-171.3-97.1000109.8K9Y7-K9 HydrophobicContact CD1-CG 4.1Å; Y7-K9 HydrophobicContact CE1-CG 3.7Å
8V37.4Very low39Very low103 Ų103154.4 Ų154.462%0.62481%0.805SS**  trans-90.1113.1173.3178.70000107.9H10V8-H10 PolarHBondContact O-N 2.92Å
9K43Very low38.6Very low182 Ų182151.8 Ų151.879%0.79180%0.802SS**  trans-77.2111.5167.8-92.6-177.7174.61700108.5Y7Y7-K9 HydrophobicContact CD1-CG 4.1Å; Y7-K9 HydrophobicContact CE1-CG 3.7Å
10H34.7Very low38.4Very low164 Ų164148.7 Ų148.776%0.75979%0.793SS**  trans-76.3118.4162.7-80.4-97.1000108.8V8 V12V8-H10 PolarHBondContact O-N 2.92Å; H10-V12 PolarHBondContact O-N 2.95Å
11E34.9Very low38.1Very low188 Ų188150.2 Ų150.288%0.87980%0.8SS**  trans-73.2112.7170.8-160.2171.1151.700107.9S13E11-S13 PolarHBondContact O-N 3.08Å
12V34.6Very low37.6Very low123 Ų123149.7 Ų149.775%0.74579%0.785SS**  trans-80103.4-177.9-170.50000107.7H10 C14H10-V12 PolarHBondContact O-N 2.95Å; V12-C14 PolarHBondContact O-N 3.03Å
13S29.1Very low36.7Very low95 Ų95148 Ų14866%0.66477%0.773SS**  trans-68106.8170.553.20000109.9E11 W15E11-S13 PolarHBondContact O-N 3.08Å; S13-W15 PolarHBondContact O-N 3.2Å
14C35.7Very low36.1Very low118 Ų118149.3 Ų149.380%0.79777%0.769SS**  trans-80.567173.7-690000111.3V12V12-C14 PolarHBondContact O-N 3.03Å
15W27.7Very low35.2Very low186 Ų186151.8 Ų151.871%0.70577%0.769SS**  trans-133.266.6173.8-62.179.1000109.2S13S13-W15 PolarHBondContact O-N 3.2Å
16D32.5Very low34.8Very low164 Ų164152.6 Ų152.688%0.87776%0.763SS**  trans-171.9112.2159.5-112.3-55.2000110.2
17D32.6Very low34.6Very low137 Ų137153.6 Ų153.673%0.73377%0.769SS**  166.584.6122.5-157.7-20.5000108.7S19D17-S19 PolarHBondContact OD1-N 3.47Å
18R34.9Very low34.1Very low190 Ų190155 Ų15572%0.71777%0.773SS**  trans-113.152.7170.2-153177.9-175.7-149.43.7109.7
19S32.1Very low33.9Very low106 Ų106155.1 Ų155.174%0.74178%0.778SS**  trans-108.754170.8-50.10000110.9D17D17-S19 PolarHBondContact OD1-N 3.47Å
20S33.8Very low33.7Very low89 Ų89152.8 Ų152.862%0.62278%0.775SS**  trans-151.585.8168.5-175.50000111.6R22S20-R22 PolarHBondContact O-N 2.9Å
21L32.2Very low34.1Very low180 Ų180152.7 Ų152.794%0.94278%0.78SS**THydrogen-bonded Turntrans-66.465.6160.9-85163.5000109.7
22R34.2Very low34.5Very low234 Ų234152.3 Ų152.388%0.88378%0.783SS**THydrogen-bonded Turntrans-171.831.9169.7-112.2176.5-128.6-104.96.5113.4S20S20-R22 PolarHBondContact O-N 2.9Å
23S35.2Very low35Very low86 Ų86157 Ų15760%0.60179%0.787SS**  trans-155.746.7172.5-152.50000114.3
24L31.6Very low35.9Very low156 Ų156156.4 Ų156.482%0.81778%0.781SS**  trans-101.851.7173.1-142.683.6000110.8
25K36Very low36.8Very low188 Ų188158.2 Ų158.282%0.81779%0.789SS**SBendtrans-155.383167.7-79-163.7-179.2-174.10106.8
26R37.7Very low37.7Very low208 Ų208153.3 Ų153.379%0.78579%0.788SS**SBendtrans154.499.3167.8-90.6172.2-132.8-11213.3107.5
27C38.7Very low38.4Very low126 Ų126156 Ų15685%0.85179%0.786SS**SBendtrans172.1-1.8158.4-100.50000113
28W28.5Very low38.9Very low232 Ų232158.3 Ų158.388%0.87979%0.792SS**SBendtrans-123118162.1-84.4-11000108
29S33.1Very low39.4Very low106 Ų106156.2 Ų156.274%0.74180%0.8SS**SBendtrans8298.5-159.4-44.20000111.6
30D37.1Very low39.7Very low133 Ų133159.8 Ų159.871%0.71181%0.805SS**SBendtrans167.875.5142.6-78.5-24000106.9
31D43.6Very low40.2Very low162 Ų162162.7 Ų162.787%0.86681%0.813SS**SBendtrans-168.42.1159.4-96.4-31.6000114.2
32L44.6Very low41.1Very low180 Ų180162.2 Ų162.294%0.94281%0.81SS**  trans-146.445.9-173.4-67.1173.2000114.2
33W43.7Very low41.7Very low221 Ų221154.6 Ų154.684%0.83781%0.805SS**SBendtrans-120.5136.1160.2173.6-88.1000109.2
34P48.1Very low42Very low82 Ų82163 Ų16353%0.53282%0.823SS.*  trans-83.2121.8-142.730.4-31000114.1A36P34-A36 HydrophobicContact CB-CB 4.48Å; P34-A36 PolarHBondContact O-N 3.2Å
35T55Low42.8Very low157 Ų157159.2 Ų159.296%0.96382%0.815SS**  trans-73.469.1151.6-47.70000108.6
36A47.4Very low43.6Very low83 Ų83157.4 Ų157.469%0.68681%0.813SS**  trans-155.460.3170.900000109.9P34P34-A36 HydrophobicContact CB-CB 4.48Å; P34-A36 PolarHBondContact O-N 3.2Å
37R47.1Very low44.5Very low221 Ų221156.7 Ų156.783%0.83482%0.816SS**SBendtrans-136.7126.7156.6-85.7-171169.3135.4-1.4107.2
38Q41.7Very low44.7Very low185 Ų185156.5 Ų156.586%0.86481%0.813SS**SBendtrans84.868.6-178.5-62.9-156.6-23.700118
39V46.2Very low45.3Very low146 Ų146150.9 Ų150.989%0.88581%0.809SS**  -150.670.5127.2-122.90000108.5
40E38.8Very low46.1Very low180 Ų180151.4 Ų151.484%0.84181%0.81SS**  trans-120.162.6170.1-71.7163.7148.100107.5
41D44.8Very low46.5Very low150 Ų150151.1 Ų151.180%0.80281%0.813SS**SBendtrans-172.8150.6154.8-119.3-45.6000110.4
42I50.9Low46.6Very low171 Ų171148.8 Ų148.888%0.87781%0.81SS**SBendtrans83.686.8177.8-42.3163.8000114.6
43G45.4Very low47.1Very low74 Ų74144.5 Ų144.576%0.76380%0.8SS**  trans153.913.1161.400000119.2A45G43-A45 VanDerWaalsContact C-N 3.33Å; G43-A45 PolarHBondContact O-N 3.28Å; G43-A45 VanDerWaalsContact O-N 3.1Å
44R42.4Very low47.4Very low261 Ų261142 Ų14299%0.98580%0.798SS**  trans-81.574.8171.4-75.4-160.8-175.7-165.33.9111.6
45A48.9Very low47.4Very low78 Ų78144 Ų14465%0.64581%0.81SS**SBendtrans-166.9132.7156.500000108.2G43G43-A45 VanDerWaalsContact C-N 3.33Å; G43-A45 PolarHBondContact O-N 3.28Å; G43-A45 VanDerWaalsContact O-N 3.1Å
46L52.1Low46.9Very low149 Ų149147.5 Ų147.578%0.7881%0.806SS**SBendtrans91.3107.2172.1-48.1156.7000114.2
47F55.7Low46.8Very low194 Ų194147.7 Ų147.785%0.85181%0.807SS**  trans104.9118.3159-52.7-68000118.3
48P43.7Very low46.4Very low121 Ų121143.1 Ų143.179%0.78680%0.804SS**  trans-88.4158.7-172.636.5-34.5000113.8
49S42Very low46.4Very low115 Ų115140.5 Ų140.580%0.80480%0.801SS**  trans-54.2152.1-176.746.50000116.7
50P48.9Very low46.3Very low116 Ų116138.6 Ų138.675%0.75380%0.795SS**  -129.5138.3126.835.2-23.9000113.4
51T46.4Very low46.8Very low128 Ų128134.3 Ų134.379%0.78579%0.79SS**  trans68.789.6148.8-35.40000117.2A53T51-A53 PolarHBondContact O-N 2.99Å
52S45.7Very low47.3Very low113 Ų113132 Ų13279%0.7979%0.785SS**  trans-63.198.3159.8-179.80000109.3
53A54.9Low48Very low90 Ų90125.8 Ų125.874%0.74475%0.753SS**  trans-91.594.2157.300000106.6T51 P55T51-A53 PolarHBondContact O-N 2.99Å; A53-P55 WeakPolarHBondContact O-CD 3.38Å
54E50.2Low49.4Very low169 Ų169124.8 Ų124.879%0.7974%0.738SS**  trans-60.7125.5168.5-89.6-16898.500109.2R56E54-R56 PolarHBondContact O-N 2.97Å
55P48.1Very low51.3Low122 Ų122114.5 Ų114.579%0.79270%0.704SS**  trans-68.7102.3163.427.5-27.9000107A53 A57A53-P55 WeakPolarHBondContact O-CD 3.38Å; P55-A57 VanDerWaalsContact C-N 3.28Å; P55-A57 PolarHBondContact O-N 2.67Å
56R42.9Very low53.1Low232 Ų232115.2 Ų115.288%0.87570%0.696SS**  trans-62.295.8168.9-167.9175.1178174.2-1.3107.1E54 T58E54-R56 PolarHBondContact O-N 2.97Å; R56-T58 VanDerWaalsContact C-N 3.29Å; R56-T58 PolarHBondContact O-N 3.28Å
57A45.5Very low55Low86 Ų86110.4 Ų110.471%0.71168%0.675SS**  trans-63.995.9168.600000107.1P55 T59P55-A57 VanDerWaalsContact C-N 3.28Å; P55-A57 PolarHBondContact O-N 2.67Å; A57-T59 VanDerWaalsContact C-N 3.32Å; A57-T59 PolarHBondContact O-N 2.9Å
58T40.1Very low56.8Low125 Ų125104.7 Ų104.777%0.76766%0.656SS**  trans-59.5103.7163.6-58.90000105.7R56 S60R56-T58 VanDerWaalsContact C-N 3.29Å; R56-T58 PolarHBondContact O-N 3.28Å; T58-S60 PolarHBondContact O-N 2.89Å
59T41.3Very low59.2Low131 Ų131101.7 Ų101.780%0.80463%0.633SS**  trans-60.4105.5-180-25.60000106.4A57 A61A57-T59 VanDerWaalsContact C-N 3.32Å; A57-T59 PolarHBondContact O-N 2.9Å; T59-A61 PolarHBondContact O-N 3.04Å
60S44Very low61.6Low106 Ų106100.3 Ų100.374%0.74162%0.617SS**  trans-51.5125.1174.1-1770000107.9T58 S62T58-S60 PolarHBondContact O-N 2.89Å; S60-S62 PolarHBondContact O-N 3.27Å
61A49.1Very low63.5Low89 Ų8998.9 Ų98.974%0.73660%0.603SS**  trans-66.867.9-172.400000111.5T59 I63T59-A61 PolarHBondContact O-N 3.04Å; A61-I63 PolarHBondContact O-N 3.27Å
62S55.4Low65.4Low101 Ų101100 Ų10071%0.70660%0.604SS**  trans-69.4115.5168.757.90000107.3S60 A64S60-S62 PolarHBondContact O-N 3.27Å; S62-A64 PolarHBondContact O-N 2.8Å
63I65.4Low67.4Low41 Ų41103.1 Ų103.121%0.2160%0.603CS.*PPolyproline II helixtrans-53.3116.3167.1-70.7176.1000108.1A61 V65 D80 F84 F118A61-I63 PolarHBondContact O-N 3.27Å; I63-V65 PolarHBondContact O-N 3.49Å; I63-D80 WeakPolarHBondContact CG2-O 3.17Å; I63-F84 HydrophobicContact CD1-CD2 4.27Å; I63-F84 HydrophobicContact CD1-CE2 3.48Å; I63-F84 VanDerWaalsContact CD1-CE2 3.48Å; I63-F84 HydrophobicContact CD1-CZ 4.04Å; I63-F84 HydrophobicContact CG1-CE2 4.34Å; I63-F118 HydrophobicContact CD1-CB 3.62Å; I63-F118 HydrophobicContact CD1-CD1 3.04Å; I63-F118 HydrophobicContact CD1-CD2 3.8Å; I63-F118 HydrophobicContact CD1-CE1 3.4Å; I63-F118 VanDerWaalsContact CD1-CE1 3.4Å; I63-F118 HydrophobicContact CD1-CE2 4.14Å; I63-F118 HydrophobicContact CD1-CG 3.22Å; I63-F118 HydrophobicContact CD1-CZ 3.96Å; I63-F118 HydrophobicContact CG1-CG 4.5Å
64A75.2Confident69.2Low54 Ų54102.2 Ų102.245%0.44658%0.583SS.*PPolyproline II helixtrans-77.7125.2-178.200000108.7S62 L66 D80S62-A64 PolarHBondContact O-N 2.8Å; A64-L66 PolarHBondContact O-N 2.76Å; A64-D80 PolarHBondContact O-N 3.26Å
65V81Confident71.3Confident44 Ų4494.5 Ų94.527%0.26755%0.546SS..EExtended strand (participates in β ladder)trans-71.8123.5165.2-177.10000107.5I63 V68 L79 R120I63-V65 PolarHBondContact O-N 3.49Å; V65-V68 HydrophobicContact CG1-CG2 3.88Å; V65-L79 HydrophobicContact CB-CD2 4.06Å; V65-L79 HydrophobicContact CG1-CD2 4.16Å; V65-L79 HydrophobicContact CG2-CD2 3.49Å; V65-L79 VanDerWaalsContact CG2-CD2 3.49Å; V65-R120 VanDerWaalsContact CG2-NE 3.3Å
66L88.2Confident73.5Confident93 Ų9390.1 Ų90.149%0.48752%0.515SS..EExtended strand (participates in β ladder)trans-83.1-45.3-179.1-66.9172000110.7A64 T78 D80 L142A64-L66 PolarHBondContact O-N 2.76Å; L66-T78 HydrophobicContact CB-CG2 4.29Å; L66-T78 WeakPolarHBondContact CB-O 3.44Å; L66-T78 HydrophobicContact CD1-CG2 4.23Å; L66-T78 PolarHBondContact N-O 2.83Å; L66-D80 HydrophobicContact CD1-CB 4.21Å; L66-D80 HydrophobicContact CG-CB 4.46Å; L66-L142 HydrophobicContact CD1-CD1 3.9Å; L66-L142 HydrophobicContact CD1-CD2 3.28Å; L66-L142 HydrophobicContact CD1-CG 4.16Å
67S91.6Very high76Confident48 Ų4879 Ų7934%0.33647%0.473SS..EExtended strand (participates in β ladder)trans-162.7142.9179.262.20000113.2D77 T78S67-D77 CarbonylContact O-C 3.59Å; S67-T78 PolarHBondContact N-O 2.81Å; S67-T78 PolarHBondContact O-N 2.84Å; S67-T78 WeakPolarHBondContact OG-CB 3.34Å; S67-T78 PolarHBondContact OG-OG1 2.71Å
68V93.8Very high78.4Confident75 Ų7575.6 Ų75.646%0.45544%0.443SS..EExtended strand (participates in β ladder)trans-120.4124.1167-176.90000108.2V65 F75 Q76 D77 Y122V65-V68 HydrophobicContact CG1-CG2 3.88Å; V68-F75 HydrophobicContact CG1-CE2 3.82Å; V68-F75 HydrophobicContact CG1-CZ 4.22Å; V68-Q76 CarbonylContact C-O 3.53Å; V68-Q76 WeakPolarHBondContact CA-O 3.4Å; V68-D77 WeakPolarHBondContact CG2-OD1 3.26Å; V68-Y122 HydrophobicContact CG2-CE1 4Å
69I93Very high81Confident57 Ų5769.6 Ų69.629%0.29241%0.407SS..EExtended strand (participates in β ladder)trans-111.6130.3178.3-58171.4000108.4D71 F75 Q76I69-D71 WeakPolarHBondContact CG2-OD2 3.42Å; I69-F75 WeakPolarHBondContact O-CA 3.05Å; I69-Q76 HydrophobicContact CB-CB 4.28Å; I69-Q76 PolarHBondContact N-O 3.08Å; I69-Q76 PolarHBondContact O-N 3.02Å
70N91.9Very high83.5Confident87 Ų8766.1 Ų66.147%0.46538%0.383SS..EExtended strand (participates in β ladder)trans-13672.4-175.9-175.825.6000110.6P125 K149N70-P125 WeakPolarHBondContact OD1-CG 3.32Å; N70-K149 WeakPolarHBondContact OD1-CE 3.39Å; N70-K149 PolarHBondContact OD1-NZ 3.13Å
71D89.1Confident86Confident85 Ų8561.1 Ų61.146%0.45535%0.348SS..  trans-88.7163.6-179.6-61.8-35.3000111I69 K73 K74 K149I69-D71 WeakPolarHBondContact CG2-OD2 3.42Å; D71-K73 PolarHBondContact O-N 3.4Å; D71-K74 PolarHBondContact N-O 2.86Å; D71-K74 PolarHBondContact O-N 3.36Å; D71-K149 WeakPolarHBondContact O-CD 3.27Å; D71-K149 WeakPolarHBondContact O-CE 3.34Å; D71-K149 PolarHBondContact O-NZ 2.63Å
72D86.8Confident88.1Confident152 Ų15260.6 Ų60.681%0.81334%0.336SS*.SBendtrans-57.3-22.1177.1-61.7-37.6000114
73K88.5Confident89.8Confident178 Ų17861.3 Ų61.377%0.77433%0.328SS*.SBendtrans-97.2-31.6-176.4-61.1-179.7-177.5177.70113.8D71 K149D71-K73 PolarHBondContact O-N 3.4Å; K73-K149 PolarHBondContact O-N 3.5Å
74K91.6Very high91.1Very high72 Ų7260.4 Ų60.431%0.31332%0.323SS..EExtended strand (participates in β ladder)trans-152155-172.365.6169.7-178165.30112.8D71 A147D71-K74 PolarHBondContact N-O 2.86Å; D71-K74 PolarHBondContact O-N 3.36Å; K74-A147 CarbonylContact C-O 3.58Å; K74-A147 VanDerWaalsContact CA-O 3.26Å; K74-A147 WeakPolarHBondContact CA-O 3.19Å; K74-A147 WeakPolarHBondContact CB-O 3.4Å
75F94.4Very high92Very high6 Ų663 Ų633%0.02632%0.324CS..EExtended strand (participates in β ladder)trans-111134.6165.4174.2-96.9000107.9V68 I69 L98 L124 P125 V128 F133 E146 A147V68-F75 HydrophobicContact CG1-CE2 3.82Å; V68-F75 HydrophobicContact CG1-CZ 4.22Å; I69-F75 WeakPolarHBondContact O-CA 3.05Å; F75-L98 HydrophobicContact CE1-CD2 4.13Å; F75-L124 HydrophobicContact CD1-CD2 3.98Å; F75-L124 HydrophobicContact CE1-CD2 3.68Å; F75-L124 HydrophobicContact CZ-CD2 4.05Å; F75-P125 HydrophobicContact CD2-CG 3.88Å; F75-P125 HydrophobicContact CE2-CG 4.43Å; F75-V128 HydrophobicContact CB-CG2 3.81Å; F75-V128 HydrophobicContact CG-CG2 4.46Å; F75-F133 AromaticContact CD1-CE1 4Å; F75-F133 HydrophobicContact CD1-CE1 4Å; F75-F133 HydrophobicContact CD1-CZ 4.19Å; F75-F133 HydrophobicContact CE1-CE1 4.34Å; F75-E146 CarbonylContact O-C 3.51Å; F75-E146 VanDerWaalsContact O-CA 3.29Å; F75-E146 WeakPolarHBondContact O-CA 3.42Å; F75-A147 PolarHBondContact N-O 3.48Å; F75-A147 PolarHBondContact O-N 2.81Å
76Q95.1Very high92.6Very high30 Ų3064.9 Ų64.914%0.1434%0.337CS..EExtended strand (participates in β ladder)trans-143.9135.8178.6178.5-175.2-36.300110.2V68 I69 T144 T145 E146V68-Q76 CarbonylContact C-O 3.53Å; V68-Q76 WeakPolarHBondContact CA-O 3.4Å; I69-Q76 HydrophobicContact CB-CB 4.28Å; I69-Q76 PolarHBondContact N-O 3.08Å; I69-Q76 PolarHBondContact O-N 3.02Å; Q76-T144 HydrophobicContact CG-CG2 3.78Å; Q76-T145 CarbonylContact C-O 3.53Å; Q76-T145 VanDerWaalsContact CA-O 3.29Å; Q76-T145 WeakPolarHBondContact CA-O 3.22Å; Q76-E146 HydrophobicContact CB-CB 4.15Å; Q76-E146 HydrophobicContact CG-CB 4.15Å
77D94.8Very high93Very high0 Ų068 Ų680%035%0.354CS..EExtended strand (participates in β ladder)trans-119.5152.6171.7179.341.8000110.3S67 V68 L79 Y122 T144 T145S67-D77 CarbonylContact O-C 3.59Å; V68-D77 WeakPolarHBondContact CG2-OD1 3.26Å; D77-L79 VanDerWaalsContact OD2-CG 3.3Å; D77-L79 WeakPolarHBondContact OD2-CG 3.29Å; D77-Y122 HydrophobicContact CB-CE2 4.46Å; D77-Y122 PolarHBondContact OD1-OH 2.86Å; D77-Y122 WeakPolarHBondContact OD2-CE2 3.35Å; D77-Y122 PolarHBondContact OD2-OH 2.83Å; D77-T144 WeakPolarHBondContact O-CA 3.24Å; D77-T145 PolarHBondContact N-O 3.09Å; D77-T145 PolarHBondContact O-N 3.08Å
78T95.5Very high93.2Very high13 Ų1367.3 Ų67.38%0.0835%0.346CS..EExtended strand (participates in β ladder)trans-138.2117.1177-52.90000109.9L66 S67 L142 L143L66-T78 HydrophobicContact CB-CG2 4.29Å; L66-T78 WeakPolarHBondContact CB-O 3.44Å; L66-T78 HydrophobicContact CD1-CG2 4.23Å; L66-T78 PolarHBondContact N-O 2.83Å; S67-T78 PolarHBondContact N-O 2.81Å; S67-T78 PolarHBondContact O-N 2.84Å; S67-T78 WeakPolarHBondContact OG-CB 3.34Å; S67-T78 PolarHBondContact OG-OG1 2.71Å; T78-L142 HydrophobicContact CG2-CB 4.44Å; T78-L143 WeakPolarHBondContact CA-O 3.32Å
79L95.4Very high93.3Very high0 Ų065.2 Ų65.20%033%0.332CS..EExtended strand (participates in β ladder)trans-117.1141-177.6-67.7177.9000111.1V65 D77 V81 I100 R120 Y122 L142 L143V65-L79 HydrophobicContact CB-CD2 4.06Å; V65-L79 HydrophobicContact CG1-CD2 4.16Å; V65-L79 HydrophobicContact CG2-CD2 3.49Å; V65-L79 VanDerWaalsContact CG2-CD2 3.49Å; D77-L79 VanDerWaalsContact OD2-CG 3.3Å; D77-L79 WeakPolarHBondContact OD2-CG 3.29Å; L79-V81 HydrophobicContact CB-CG1 4.27Å; L79-I100 HydrophobicContact CD1-CB 4.16Å; L79-I100 HydrophobicContact CD1-CD1 3.55Å; L79-I100 HydrophobicContact CD1-CG1 4.4Å; L79-I100 HydrophobicContact CD1-CG2 4.01Å; L79-R120 HydrophobicContact CD1-CB 4.46Å; L79-R120 HydrophobicContact CD1-CG 4.38Å; L79-R120 HydrophobicContact CD2-CG 4.48Å; L79-Y122 WeakPolarHBondContact CD2-OH 3.48Å; L79-L142 CarbonylContact O-C 3.54Å; L79-L142 WeakPolarHBondContact O-CA 3.4Å; L79-L143 HydrophobicContact CB-CB 4.49Å; L79-L143 PolarHBondContact N-O 2.97Å; L79-L143 PolarHBondContact O-N 3.05Å
80D94.8Very high93.5Very high57 Ų5767.9 Ų67.931%0.30534%0.343SS..EExtended strand (participates in β ladder)trans-82.7112.4167.3-175.4-2.3000110.4I63 A64 L66 T82 L142I63-D80 WeakPolarHBondContact CG2-O 3.17Å; A64-D80 PolarHBondContact O-N 3.26Å; L66-D80 HydrophobicContact CD1-CB 4.21Å; L66-D80 HydrophobicContact CG-CB 4.46Å; D80-T82 VanDerWaalsContact OD1-CB 3.3Å; D80-T82 WeakPolarHBondContact OD1-CB 3.13Å; D80-T82 PolarHBondContact OD1-N 3.28Å; D80-T82 PolarHBondContact OD1-OG1 2.84Å; D80-L142 HydrophobicContact CB-CD2 4.08Å
81V94.8Very high93.7Very high2 Ų266.4 Ų66.41%0.01233%0.334CS..  trans-122.129.4178.2-62.80000111.3L79 H83 F84 L89 F118 L137 G141 L143L79-V81 HydrophobicContact CB-CG1 4.27Å; V81-H83 PolarHBondContact O-N 3.45Å; V81-F84 HydrophobicContact CB-CB 4.43Å; V81-F84 HydrophobicContact CB-CD2 4.34Å; V81-F84 PolarHBondContact O-N 2.99Å; V81-L89 HydrophobicContact CB-CD1 4.23Å; V81-L89 HydrophobicContact CB-CD2 4.31Å; V81-L89 HydrophobicContact CG1-CD2 4.17Å; V81-L89 HydrophobicContact CG2-CD1 3.85Å; V81-F118 HydrophobicContact CG1-CE1 4.18Å; V81-F118 HydrophobicContact CG1-CZ 3.81Å; V81-L137 HydrophobicContact CG2-CD1 3.5Å; V81-L137 VanDerWaalsContact CG2-CD1 3.5Å; V81-G141 CarbonylContact C-O 3.51Å; V81-G141 WeakPolarHBondContact CA-O 3.44Å; V81-G141 WeakPolarHBondContact CG2-O 3.44Å; V81-G141 PolarHBondContact N-O 2.88Å; V81-L143 HydrophobicContact CG1-CB 4.28Å; V81-L143 HydrophobicContact CG2-CB 3.69Å
82T93.3Very high93.9Very high77 Ų7764.8 Ų64.847%0.47233%0.328SS..THydrogen-bonded Turntrans-53.2-26.6-177.1-58.90000114.2D80 N140 G141D80-T82 VanDerWaalsContact OD1-CB 3.3Å; D80-T82 WeakPolarHBondContact OD1-CB 3.13Å; D80-T82 PolarHBondContact OD1-N 3.28Å; D80-T82 PolarHBondContact OD1-OG1 2.84Å; T82-N140 PolarHBondContact OG1-O 3.12Å; T82-G141 PolarHBondContact N-O 2.99Å
83H91.4Very high94.3Very high117 Ų11760.7 Ų60.754%0.54231%0.308SS..THydrogen-bonded Turntrans-93.39.9-179.5-57.8-54.1000114.7V81V81-H83 PolarHBondContact O-N 3.45Å
84F93.7Very high94.3Very high22 Ų2257.7 Ų57.710%0.09630%0.295CS..SBendtrans-122.4145-178.8-66.8-93.2000110.7I63 V81 L89 H104 R116 F118I63-F84 HydrophobicContact CD1-CD2 4.27Å; I63-F84 HydrophobicContact CD1-CE2 3.48Å; I63-F84 VanDerWaalsContact CD1-CE2 3.48Å; I63-F84 HydrophobicContact CD1-CZ 4.04Å; I63-F84 HydrophobicContact CG1-CE2 4.34Å; V81-F84 HydrophobicContact CB-CB 4.43Å; V81-F84 HydrophobicContact CB-CD2 4.34Å; V81-F84 PolarHBondContact O-N 2.99Å; F84-L89 HydrophobicContact CB-CD2 3.8Å; F84-L89 HydrophobicContact CB-CG 4.17Å; F84-L89 HydrophobicContact CD1-CD2 4.39Å; F84-L89 HydrophobicContact CG-CD2 4.09Å; F84-H104 HydrophobicContact CD1-CB 3.93Å; F84-H104 HydrophobicContact CE1-CB 3.8Å; F84-R116 HydrophobicContact CE1-CB 4.09Å; F84-R116 HydrophobicContact CZ-CB 3.69Å; F84-F118 HydrophobicContact CD1-CD1 4.45Å; F84-F118 HydrophobicContact CD1-CE1 4.23Å; F84-F118 HydrophobicContact CD2-CD1 4.38Å; F84-F118 HydrophobicContact CD2-CE1 4.02Å; F84-F118 AromaticContact CE1-CD1 3.84Å; F84-F118 HydrophobicContact CE1-CD1 3.84Å; F84-F118 HydrophobicContact CE1-CE1 4.08Å; F84-F118 AromaticContact CE2-CD1 3.78Å; F84-F118 HydrophobicContact CE2-CD1 3.78Å; F84-F118 AromaticContact CE2-CE1 3.88Å; F84-F118 HydrophobicContact CE2-CE1 3.88Å; F84-F118 HydrophobicContact CG-CE1 4.21Å; F84-F118 AromaticContact CZ-CD1 3.48Å; F84-F118 HydrophobicContact CZ-CD1 3.48Å; F84-F118 VanDerWaalsContact CZ-CD1 3.48Å; F84-F118 AromaticContact CZ-CE1 3.91Å; F84-F118 HydrophobicContact CZ-CE1 3.91Å
85K93Very high94.1Very high107 Ų10760.4 Ų60.447%0.46531%0.313SS..  trans-80.2155.9169.2-64.9173.4-173.3160.20110.1D87 E88K85-D87 PolarHBondContact O-N 3.33Å; K85-E88 HydrophobicContact CB-CB 4.46Å; K85-E88 HydrophobicContact CB-CG 4.04Å; K85-E88 PolarHBondContact N-OE2 2.89Å; K85-E88 WeakPolarHBondContact O-CB 3.08Å; K85-E88 PolarHBondContact O-N 3.4Å
86P95.1Very high93.7Very high84 Ų8466.2 Ų66.255%0.54534%0.344SS..G310 helixtrans-55.5-38.5175.6-20.128.7000113E88 L89 L137P86-E88 PolarHBondContact O-N 3.39Å; P86-L89 PolarHBondContact O-N 2.94Å; P86-L137 HydrophobicContact CB-CD2 4.06Å; P86-L137 HydrophobicContact CG-CD2 3.78Å
87D95.4Very high93.5Very high160 Ų16065.1 Ų65.186%0.85634%0.342SS*.G310 helixtrans-73-11.3-179-56.3-26.1000113.6K85K85-D87 PolarHBondContact O-N 3.33Å
88E95.3Very high93.5Very high32 Ų3265.1 Ų65.115%0.1534%0.342CS..G310 helixtrans-95-1.8178.8-68.2171.3172.500112.1K85 P86 G102 K103 H104K85-E88 HydrophobicContact CB-CB 4.46Å; K85-E88 HydrophobicContact CB-CG 4.04Å; K85-E88 PolarHBondContact N-OE2 2.89Å; K85-E88 WeakPolarHBondContact O-CB 3.08Å; K85-E88 PolarHBondContact O-N 3.4Å; P86-E88 PolarHBondContact O-N 3.39Å; E88-G102 CarbonylContact O-C 3.59Å; E88-G102 VanDerWaalsContact O-CA 3.27Å; E88-G102 WeakPolarHBondContact O-CA 3.36Å; E88-K103 WeakPolarHBondContact CB-O 3.46Å; E88-K103 WeakPolarHBondContact CG-O 2.91Å; E88-K103 PolarHBondContact O-N 2.8Å; E88-H104 VanDerWaalsContact CD-ND1 3.3Å; E88-H104 IonicContact OE1-CE1 3.94Å; E88-H104 IonicContact OE1-CG 2.84Å; E88-H104 IonicContact OE1-ND1 3.99Å; E88-H104 PolarHBondContact OE1-ND1 2.9Å; E88-H104 VanDerWaalsContact OE1-ND1 3.09Å; E88-H104 IonicContact OE2-CE1 3.99Å; E88-H104 IonicContact OE2-CG 3.09Å; E88-H104 IonicContact OE2-ND1 3.78Å; E88-H104 PolarHBondContact OE2-ND1 3.03Å
89L96.8Very high93.4Very high32 Ų3266.5 Ų66.517%0.16835%0.348CS..EExtended strand (participates in β ladder)trans-108.1134.2-176-61.9171.8000110.9V81 F84 P86 F118 L137V81-L89 HydrophobicContact CB-CD1 4.23Å; V81-L89 HydrophobicContact CB-CD2 4.31Å; V81-L89 HydrophobicContact CG1-CD2 4.17Å; V81-L89 HydrophobicContact CG2-CD1 3.85Å; F84-L89 HydrophobicContact CB-CD2 3.8Å; F84-L89 HydrophobicContact CB-CG 4.17Å; F84-L89 HydrophobicContact CD1-CD2 4.39Å; F84-L89 HydrophobicContact CG-CD2 4.09Å; P86-L89 PolarHBondContact O-N 2.94Å; L89-F118 HydrophobicContact CD2-CE1 3.69Å; L89-F118 HydrophobicContact CD2-CZ 3.79Å; L89-L137 HydrophobicContact CD1-CD2 4.41Å
90E96.6Very high93.5Very high113 Ų11366.5 Ų66.553%0.52835%0.348SS..EExtended strand (participates in β ladder)trans-129.5136.6177.2-169.9-179.7170.500110.4T92 H101E90-T92 HydrophobicContact CG-CG2 4.08Å; E90-T92 WeakPolarHBondContact OE1-CG2 3.29Å; E90-H101 HydrophobicContact CB-CB 4.47Å; E90-H101 PolarHBondContact N-O 3.36Å; E90-H101 PolarHBondContact O-N 3.32Å; E90-H101 VanDerWaalsContact O-O 3.08Å
91I95.7Very high93.5Very high55 Ų5565.8 Ų65.828%0.28234%0.343SS..EExtended strand (participates in β ladder)trans-122.4120.5177.2-57.1175.4000107.8L98 I99 I100 S135 L143I91-L98 HydrophobicContact CG2-CD1 3.39Å; I91-I99 WeakPolarHBondContact CA-O 3.36Å; I91-I100 HydrophobicContact CG1-CG1 4.27Å; I91-I100 HydrophobicContact CG1-CG2 4.32Å; I91-I100 HydrophobicContact CG2-CG1 4.36Å; I91-S135 VanDerWaalsContact CD1-CB 3.49Å; I91-L143 HydrophobicContact CD1-CD1 4.34Å; I91-L143 HydrophobicContact CD1-CD2 4.21Å
92T95.1Very high93.6Very high51 Ų5165.7 Ų65.731%0.31334%0.342SS..EExtended strand (participates in β ladder)trans-123144.3179.358.30000110.7E90 I99E90-T92 HydrophobicContact CG-CG2 4.08Å; E90-T92 WeakPolarHBondContact OE1-CG2 3.29Å; T92-I99 PolarHBondContact N-O 2.81Å; T92-I99 PolarHBondContact O-N 2.88Å
93T93.3Very high93.8Very high66 Ų6665.8 Ų65.841%0.40534%0.336SS..EExtended strand (participates in β ladder)trans-116.9120.817452.80000109.1G97 L98 F133T93-G97 CarbonylContact C-O 3.53Å; T93-G97 VanDerWaalsContact CA-O 3.26Å; T93-G97 WeakPolarHBondContact CA-O 3.31Å; T93-L98 HydrophobicContact CG2-CD1 3.78Å; T93-F133 HydrophobicContact CG2-CD2 3.64Å; T93-F133 HydrophobicContact CG2-CE2 3.89Å; T93-F133 HydrophobicContact CG2-CG 4.36Å
94K89.7Confident93.9Very high116 Ų11660.7 Ų60.750%0.50431%0.313SS..EExtended strand (participates in β ladder)trans-146.2136.4-178.5-172.3-177.2176.4-1790110.2D96 G97K94-D96 PolarHBondContact O-N 2.97Å; K94-G97 PolarHBondContact N-O 2.94Å; K94-G97 VanDerWaalsContact O-CA 3.29Å; K94-G97 WeakPolarHBondContact O-CA 3.43Å; K94-G97 PolarHBondContact O-N 2.88Å
95D86.6Confident93.9Very high129 Ų12963.8 Ų63.869%0.6933%0.327SS*.THydrogen-bonded Turntrans50.649.4172.3-56-37.9000114.4G97D95-G97 PolarHBondContact O-N 3.09Å; D95-G97 VanDerWaalsContact O-N 3.15Å
96D85.7Confident93.9Very high127 Ų12764.7 Ų64.768%0.67933%0.333SS*.THydrogen-bonded Turntrans57.523.5-173.7-57.9-45.2000113.9K94 L124K94-D96 PolarHBondContact O-N 2.97Å; D96-L124 WeakPolarHBondContact O-CA 3.26Å; D96-L124 WeakPolarHBondContact O-CB 3.3Å; D96-L124 WeakPolarHBondContact O-CG 3.13Å; D96-L124 PolarHBondContact O-N 2.92Å
97G91.6Very high93.5Very high8 Ų863.3 Ų63.38%0.08232%0.321CS..EExtended strand (participates in β ladder)trans-115.9149.6173.700000111.7T93 K94 D95 Y122T93-G97 CarbonylContact C-O 3.53Å; T93-G97 VanDerWaalsContact CA-O 3.26Å; T93-G97 WeakPolarHBondContact CA-O 3.31Å; K94-G97 PolarHBondContact N-O 2.94Å; K94-G97 VanDerWaalsContact O-CA 3.29Å; K94-G97 WeakPolarHBondContact O-CA 3.43Å; K94-G97 PolarHBondContact O-N 2.88Å; D95-G97 PolarHBondContact O-N 3.09Å; D95-G97 VanDerWaalsContact O-N 3.15Å; G97-Y122 CarbonylContact C-O 3.59Å; G97-Y122 WeakPolarHBondContact CA-O 3.46Å
98L94.3Very high93.1Very high0 Ų063.5 Ų63.50%031%0.314CS..EExtended strand (participates in β ladder)trans-110.9127.3167.1170.876.9000107.7F75 I91 T93 I100 P121 Y122 L124 F133 T145F75-L98 HydrophobicContact CE1-CD2 4.13Å; I91-L98 HydrophobicContact CG2-CD1 3.39Å; T93-L98 HydrophobicContact CG2-CD1 3.78Å; L98-I100 HydrophobicContact CD2-CD1 4.37Å; L98-I100 HydrophobicContact CG-CG1 4.36Å; L98-P121 CarbonylContact O-C 3.49Å; L98-P121 WeakPolarHBondContact O-CA 3.45Å; L98-Y122 HydrophobicContact CD2-CD2 4.11Å; L98-Y122 HydrophobicContact CG-CD2 4.45Å; L98-Y122 PolarHBondContact N-O 2.71Å; L98-Y122 PolarHBondContact O-N 3.22Å; L98-L124 HydrophobicContact CB-CD1 4.31Å; L98-L124 HydrophobicContact CB-CD2 3.77Å; L98-L124 HydrophobicContact CB-CG 4.22Å; L98-F133 HydrophobicContact CB-CZ 4.4Å; L98-F133 HydrophobicContact CD1-CD1 4.33Å; L98-F133 HydrophobicContact CD1-CE1 4.21Å; L98-F133 HydrophobicContact CD1-CZ 4.4Å; L98-F133 HydrophobicContact CD2-CE1 3.89Å; L98-F133 HydrophobicContact CD2-CZ 4.32Å; L98-T145 HydrophobicContact CD1-CG2 4.26Å; L98-T145 HydrophobicContact CD2-CG2 3.82Å
99I95.1Very high92.5Very high41 Ų4165 Ų6521%0.2132%0.324CS..EExtended strand (participates in β ladder)trans-120.9120.4179.1-55.6170.9000107.4I91 T92 T119 P121I91-I99 WeakPolarHBondContact CA-O 3.36Å; T92-I99 PolarHBondContact N-O 2.81Å; T92-I99 PolarHBondContact O-N 2.88Å; I99-T119 HydrophobicContact CG2-CG2 3.68Å; I99-P121 HydrophobicContact CG1-CB 4.43Å
100I95.7Very high92Very high0 Ų071.4 Ų71.40%036%0.358CS..EExtended strand (participates in β ladder)trans-103.9115.5173.2-55.7-179.9000106.9L79 I91 L98 F118 T119 R120 Y122 L143L79-I100 HydrophobicContact CD1-CB 4.16Å; L79-I100 HydrophobicContact CD1-CD1 3.55Å; L79-I100 HydrophobicContact CD1-CG1 4.4Å; L79-I100 HydrophobicContact CD1-CG2 4.01Å; I91-I100 HydrophobicContact CG1-CG1 4.27Å; I91-I100 HydrophobicContact CG1-CG2 4.32Å; I91-I100 HydrophobicContact CG2-CG1 4.36Å; L98-I100 HydrophobicContact CD2-CD1 4.37Å; L98-I100 HydrophobicContact CG-CG1 4.36Å; I100-F118 HydrophobicContact CB-CE2 4.42Å; I100-F118 HydrophobicContact CG2-CE2 3.79Å; I100-F118 HydrophobicContact CG2-CZ 4.02Å; I100-T119 CarbonylContact O-C 3.57Å; I100-R120 HydrophobicContact CB-CB 4.41Å; I100-R120 PolarHBondContact N-O 3.25Å; I100-R120 PolarHBondContact O-N 2.93Å; I100-Y122 HydrophobicContact CD1-CE2 4.12Å; I100-L143 HydrophobicContact CD1-CD2 4.43Å; I100-L143 HydrophobicContact CG2-CD2 3.84Å
101H96.3Very high91.5Very high42 Ų4275 Ų7519%0.19437%0.374CS..EExtended strand (participates in β ladder)trans-109.4142.7176.4-177.9-119.8000108.8E90 E117 F118 T119E90-H101 HydrophobicContact CB-CB 4.47Å; E90-H101 PolarHBondContact N-O 3.36Å; E90-H101 PolarHBondContact O-N 3.32Å; E90-H101 VanDerWaalsContact O-O 3.08Å; H101-E117 IonicContact CD2-OE1 3.66Å; H101-E117 IonicContact CE1-OE1 2.71Å; H101-E117 IonicContact NE2-OE1 3.57Å; H101-E117 PolarHBondContact NE2-OE1 2.8Å; H101-F118 CarbonylContact C-O 3.54Å; H101-F118 WeakPolarHBondContact CA-O 3.16Å; H101-F118 PolarHBondContact CD2-O 2.78Å; H101-T119 PolarHBondContact CD2-OG1 2.76Å
102G96.3Very high91.3Very high0 Ų073.9 Ų73.90%038%0.376CS..EExtended strand (participates in β ladder)trans-142.3131.117100000110.3E88 E117 F118E88-G102 CarbonylContact O-C 3.59Å; E88-G102 VanDerWaalsContact O-CA 3.27Å; E88-G102 WeakPolarHBondContact O-CA 3.36Å; G102-E117 CarbonylContact O-C 3.41Å; G102-E117 VanDerWaalsContact O-CA 3.24Å; G102-E117 WeakPolarHBondContact O-CA 3.41Å; G102-F118 VanDerWaalsContact CA-CE1 3.41Å; G102-F118 PolarHBondContact N-O 2.81Å; G102-F118 PolarHBondContact O-N 2.85Å
103K96.2Very high91.1Very high79 Ų7978.9 Ų78.934%0.34339%0.39SS..EExtended strand (participates in β ladder)trans-132.6104.8-173.8-167.6-169-169.4-155.40110.2E88 E105 E117E88-K103 WeakPolarHBondContact CB-O 3.46Å; E88-K103 WeakPolarHBondContact CG-O 2.91Å; E88-K103 PolarHBondContact O-N 2.8Å; K103-E105 WeakPolarHBondContact CE-OE1 3.4Å; K103-E105 IonicContact NZ-OE1 3.15Å; K103-E105 PolarHBondContact NZ-OE1 2.93Å; K103-E117 HydrophobicContact CB-CG 4.42Å; K103-E117 HydrophobicContact CG-CG 4.25Å
104H94.3Very high90.9Very high11 Ų1177.5 Ų77.55%0.05138%0.381CS..EExtended strand (participates in β ladder)trans-95110.7172.5-17680.8000109F84 E88 N107 V114 K115 R116F84-H104 HydrophobicContact CD1-CB 3.93Å; F84-H104 HydrophobicContact CE1-CB 3.8Å; E88-H104 VanDerWaalsContact CD-ND1 3.3Å; E88-H104 IonicContact OE1-CE1 3.94Å; E88-H104 IonicContact OE1-CG 2.84Å; E88-H104 IonicContact OE1-ND1 3.99Å; E88-H104 PolarHBondContact OE1-ND1 2.9Å; E88-H104 VanDerWaalsContact OE1-ND1 3.09Å; E88-H104 IonicContact OE2-CE1 3.99Å; E88-H104 IonicContact OE2-CG 3.09Å; E88-H104 IonicContact OE2-ND1 3.78Å; E88-H104 PolarHBondContact OE2-ND1 3.03Å; H104-N107 PolarHBondContact CE1-ND2 3.33Å; H104-N107 PolarHBondContact NE2-ND2 2.59Å; H104-N107 VanDerWaalsContact NE2-ND2 3.18Å; H104-V114 PolarHBondContact CD2-O 3.5Å; H104-K115 WeakPolarHBondContact O-CG 3.49Å; H104-R116 WeakPolarHBondContact CA-O 3.38Å; H104-R116 HydrophobicContact CB-CB 4.07Å; H104-R116 WeakPolarHBondContact CB-O 3.33Å; H104-R116 PolarHBondContact N-O 2.97Å; H104-R116 PolarHBondContact O-N 2.94Å; H104-R116 VanDerWaalsContact O-N 3.13Å; H104-R116 VanDerWaalsContact O-O 3.1Å
105E93.7Very high91.1Very high86 Ų8677.5 Ų77.540%0.40238%0.381SS..EExtended strand (participates in β ladder)trans-66.2163.2172.9-67.8-61.9169.700111.5K103 N107 K115K103-E105 WeakPolarHBondContact CE-OE1 3.4Å; K103-E105 IonicContact NZ-OE1 3.15Å; K103-E105 PolarHBondContact NZ-OE1 2.93Å; E105-N107 PolarHBondContact O-N 2.86Å; E105-N107 PolarHBondContact O-ND2 3.02Å; E105-N107 VanDerWaalsContact O-ND2 3.08Å; E105-K115 IonicContact OE2-NZ 3.99Å; E105-K115 PolarHBondContact OE2-NZ 3.1Å; E105-K115 VanDerWaalsContact OE2-NZ 3.15Å
106E92.2Very high91.4Very high127 Ų12774.6 Ų74.659%0.59336%0.361SS*.EExtended strand (participates in β ladder)trans-61106.4-177.6-172.3173.3-148.800111.1Y113 V114 K115E106-Y113 HydrophobicContact CG-CD1 4.09Å; E106-Y113 HydrophobicContact CG-CG 4.22Å; E106-Y113 VanDerWaalsContact OE1-CB 3.29Å; E106-Y113 WeakPolarHBondContact OE1-CB 3.5Å; E106-V114 WeakPolarHBondContact CA-O 3.33Å; E106-K115 HydrophobicContact CB-CB 4.25Å
107N87.7Confident91.8Very high54 Ų5473.9 Ų73.929%0.28935%0.353SS..EExtended strand (participates in β ladder)trans-113.1151.5176.9-70.6-60.2000110.5H104 E105 D109 Y113 V114H104-N107 PolarHBondContact CE1-ND2 3.33Å; H104-N107 PolarHBondContact NE2-ND2 2.59Å; H104-N107 VanDerWaalsContact NE2-ND2 3.18Å; E105-N107 PolarHBondContact O-N 2.86Å; E105-N107 PolarHBondContact O-ND2 3.02Å; E105-N107 VanDerWaalsContact O-ND2 3.08Å; N107-D109 PolarHBondContact O-N 3.5Å; N107-Y113 CarbonylContact O-C 3.54Å; N107-Y113 VanDerWaalsContact O-CA 3.31Å; N107-Y113 WeakPolarHBondContact O-CA 3.42Å; N107-V114 PolarHBondContact N-O 3.04Å; N107-V114 PolarHBondContact O-N 3.15Å
108K87.7Confident92Very high164 Ų16474.6 Ų74.671%0.71335%0.354SS*.EExtended strand (participates in β ladder)trans-83.2114.3177.1-171.4-179.5178.1-175.60109.8G112 Y113K108-G112 CarbonylContact C-O 3.56Å; K108-G112 WeakPolarHBondContact CA-O 3.5Å; K108-Y113 HydrophobicContact CB-CD1 4.14Å; K108-Y113 HydrophobicContact CB-CE1 3.97Å; K108-Y113 HydrophobicContact CG-CE1 4.27Å
109D82.8Confident92Very high65 Ų6578.8 Ų78.835%0.34838%0.38SS..EExtended strand (participates in β ladder)trans-98.1171.7169.3-70.5-9.1000109.5N107 H111 G112 V114 R116N107-D109 PolarHBondContact O-N 3.5Å; D109-H111 PolarHBondContact O-N 2.91Å; D109-G112 PolarHBondContact N-O 2.66Å; D109-G112 PolarHBondContact O-N 2.71Å; D109-V114 HydrophobicContact CB-CG2 4.19Å; D109-V114 WeakPolarHBondContact OD2-CG2 3.15Å; D109-R116 IonicContact OD2-NH2 2.85Å
110D85.9Confident91.9Very high165 Ų16581.8 Ų81.888%0.88239%0.389SS*.THydrogen-bonded Turntrans-57.1-22.4-179.7-67.7-34.5000113.8
111H85.5Confident91.9Very high190 Ų19085.7 Ų85.788%0.8841%0.414SS*.THydrogen-bonded Turntrans-110.37.4-174.9-59.5-59.9000114.5D109D109-H111 PolarHBondContact O-N 2.91Å
112G90.7Very high91.7Very high30 Ų3084.8 Ų84.831%0.30941%0.409SS..EExtended strand (participates in β ladder)trans138.4-144.3179.900000112.5K108 D109K108-G112 CarbonylContact C-O 3.56Å; K108-G112 WeakPolarHBondContact CA-O 3.5Å; D109-G112 PolarHBondContact N-O 2.66Å; D109-G112 PolarHBondContact O-N 2.71Å
113Y91.1Very high91.5Very high156 Ų15692.9 Ų92.961%0.61244%0.44SS*.EExtended strand (participates in β ladder)trans-109.1138.5176.7-63.7-86.1000109.8E106 N107 K108E106-Y113 HydrophobicContact CG-CD1 4.09Å; E106-Y113 HydrophobicContact CG-CG 4.22Å; E106-Y113 VanDerWaalsContact OE1-CB 3.29Å; E106-Y113 WeakPolarHBondContact OE1-CB 3.5Å; N107-Y113 CarbonylContact O-C 3.54Å; N107-Y113 VanDerWaalsContact O-CA 3.31Å; N107-Y113 WeakPolarHBondContact O-CA 3.42Å; K108-Y113 HydrophobicContact CB-CD1 4.14Å; K108-Y113 HydrophobicContact CB-CE1 3.97Å; K108-Y113 HydrophobicContact CG-CE1 4.27Å
114V90.3Very high91.3Very high37 Ų3790.3 Ų90.322%0.22443%0.43CS..EExtended strand (participates in β ladder)trans-128.7130.9176.8-169.20000110.6H104 E106 N107 D109 R116H104-V114 PolarHBondContact CD2-O 3.5Å; E106-V114 WeakPolarHBondContact CA-O 3.33Å; N107-V114 PolarHBondContact N-O 3.04Å; N107-V114 PolarHBondContact O-N 3.15Å; D109-V114 HydrophobicContact CB-CG2 4.19Å; D109-V114 WeakPolarHBondContact OD2-CG2 3.15Å; V114-R116 HydrophobicContact CG1-CG 3.89Å
115K93.1Very high91Very high116 Ų11691.2 Ų91.250%0.50444%0.437SS..EExtended strand (participates in β ladder)trans-124133.1172.2-177.7172.4178.7146.50108.1H104 E105 E106H104-K115 WeakPolarHBondContact O-CG 3.49Å; E105-K115 IonicContact OE2-NZ 3.99Å; E105-K115 PolarHBondContact OE2-NZ 3.1Å; E105-K115 VanDerWaalsContact OE2-NZ 3.15Å; E106-K115 HydrophobicContact CB-CB 4.25Å
116R92.6Very high90.7Very high68 Ų6895.6 Ų95.626%0.25745%0.454SS..EExtended strand (participates in β ladder)trans-137.6142.8-179.7-54.5-178.4-177.589.3-2.6109.6F84 H104 D109 V114F84-R116 HydrophobicContact CE1-CB 4.09Å; F84-R116 HydrophobicContact CZ-CB 3.69Å; H104-R116 WeakPolarHBondContact CA-O 3.38Å; H104-R116 HydrophobicContact CB-CB 4.07Å; H104-R116 WeakPolarHBondContact CB-O 3.33Å; H104-R116 PolarHBondContact N-O 2.97Å; H104-R116 PolarHBondContact O-N 2.94Å; H104-R116 VanDerWaalsContact O-N 3.13Å; H104-R116 VanDerWaalsContact O-O 3.1Å; D109-R116 IonicContact OD2-NH2 2.85Å; V114-R116 HydrophobicContact CG1-CG 3.89Å
117E95.5Very high90.4Very high112 Ų11291 Ų9152%0.52344%0.441SS..EExtended strand (participates in β ladder)trans-146.8141.6174.2-174.4171.7177.800109.3H101 G102 K103H101-E117 IonicContact CD2-OE1 3.66Å; H101-E117 IonicContact CE1-OE1 2.71Å; H101-E117 IonicContact NE2-OE1 3.57Å; H101-E117 PolarHBondContact NE2-OE1 2.8Å; G102-E117 CarbonylContact O-C 3.41Å; G102-E117 VanDerWaalsContact O-CA 3.24Å; G102-E117 WeakPolarHBondContact O-CA 3.41Å; K103-E117 HydrophobicContact CB-CG 4.42Å; K103-E117 HydrophobicContact CG-CG 4.25Å
118F95.2Very high90.6Very high24 Ų2489.1 Ų89.111%0.10543%0.432CS..EExtended strand (participates in β ladder)trans-142.5149.4174.677.9-88.4000111.9I63 V81 F84 L89 I100 H101 G102 R120I63-F118 HydrophobicContact CD1-CB 3.62Å; I63-F118 HydrophobicContact CD1-CD1 3.04Å; I63-F118 HydrophobicContact CD1-CD2 3.8Å; I63-F118 HydrophobicContact CD1-CE1 3.4Å; I63-F118 VanDerWaalsContact CD1-CE1 3.4Å; I63-F118 HydrophobicContact CD1-CE2 4.14Å; I63-F118 HydrophobicContact CD1-CG 3.22Å; I63-F118 HydrophobicContact CD1-CZ 3.96Å; I63-F118 HydrophobicContact CG1-CG 4.5Å; V81-F118 HydrophobicContact CG1-CE1 4.18Å; V81-F118 HydrophobicContact CG1-CZ 3.81Å; F84-F118 HydrophobicContact CD1-CD1 4.45Å; F84-F118 HydrophobicContact CD1-CE1 4.23Å; F84-F118 HydrophobicContact CD2-CD1 4.38Å; F84-F118 HydrophobicContact CD2-CE1 4.02Å; F84-F118 AromaticContact CE1-CD1 3.84Å; F84-F118 HydrophobicContact CE1-CD1 3.84Å; F84-F118 HydrophobicContact CE1-CE1 4.08Å; F84-F118 AromaticContact CE2-CD1 3.78Å; F84-F118 HydrophobicContact CE2-CD1 3.78Å; F84-F118 AromaticContact CE2-CE1 3.88Å; F84-F118 HydrophobicContact CE2-CE1 3.88Å; F84-F118 HydrophobicContact CG-CE1 4.21Å; F84-F118 AromaticContact CZ-CD1 3.48Å; F84-F118 HydrophobicContact CZ-CD1 3.48Å; F84-F118 VanDerWaalsContact CZ-CD1 3.48Å; F84-F118 AromaticContact CZ-CE1 3.91Å; F84-F118 HydrophobicContact CZ-CE1 3.91Å; L89-F118 HydrophobicContact CD2-CE1 3.69Å; L89-F118 HydrophobicContact CD2-CZ 3.79Å; I100-F118 HydrophobicContact CB-CE2 4.42Å; I100-F118 HydrophobicContact CG2-CE2 3.79Å; I100-F118 HydrophobicContact CG2-CZ 4.02Å; H101-F118 CarbonylContact C-O 3.54Å; H101-F118 WeakPolarHBondContact CA-O 3.16Å; H101-F118 PolarHBondContact CD2-O 2.78Å; G102-F118 VanDerWaalsContact CA-CE1 3.41Å; G102-F118 PolarHBondContact N-O 2.81Å; G102-F118 PolarHBondContact O-N 2.85Å; F118-R120 HydrophobicContact CD2-CB 4.32Å; F118-R120 HydrophobicContact CE2-CB 4.45Å
119T94.6Very high90.5Very high88 Ų8884 Ų8454%0.5441%0.412SS..EExtended strand (participates in β ladder)trans-130.9121.2169.1-50.30000108.5I99 I100 H101I99-T119 HydrophobicContact CG2-CG2 3.68Å; I100-T119 CarbonylContact O-C 3.57Å; H101-T119 PolarHBondContact CD2-OG1 2.76Å
120R93.4Very high90.7Very high103 Ų10383.9 Ų83.939%0.38941%0.414SS..EExtended strand (participates in β ladder)trans-118.899.5179.8-170.372.4-179.4-169.26.2110.5V65 L79 I100 F118 Y122V65-R120 VanDerWaalsContact CG2-NE 3.3Å; L79-R120 HydrophobicContact CD1-CB 4.46Å; L79-R120 HydrophobicContact CD1-CG 4.38Å; L79-R120 HydrophobicContact CD2-CG 4.48Å; I100-R120 HydrophobicContact CB-CB 4.41Å; I100-R120 PolarHBondContact N-O 3.25Å; I100-R120 PolarHBondContact O-N 2.93Å; F118-R120 HydrophobicContact CD2-CB 4.32Å; F118-R120 HydrophobicContact CE2-CB 4.45Å; R120-Y122 HydrophobicContact CB-CE2 4.33Å; R120-Y122 HydrophobicContact CG-CD2 4.29Å; R120-Y122 HydrophobicContact CG-CE1 4.46Å; R120-Y122 HydrophobicContact CG-CE2 3.44Å; R120-Y122 VanDerWaalsContact CG-CE2 3.44Å; R120-Y122 WeakPolarHBondContact CG-OH 3.39Å
121P93.7Very high90.8Very high83 Ų8384.4 Ų84.454%0.53941%0.412SS..EExtended strand (participates in β ladder)trans-84.5142.3173.432.8-33.1000111.7L98 I99L98-P121 CarbonylContact O-C 3.49Å; L98-P121 WeakPolarHBondContact O-CA 3.45Å; I99-P121 HydrophobicContact CG1-CB 4.43Å
122Y93.4Very high91.1Very high22 Ų2276.7 Ų76.79%0.08638%0.379CS..EExtended strand (participates in β ladder)trans-126.5132.7172.6-67.9-77.2000109.8V68 D77 L79 G97 L98 I100 R120V68-Y122 HydrophobicContact CG2-CE1 4Å; D77-Y122 HydrophobicContact CB-CE2 4.46Å; D77-Y122 PolarHBondContact OD1-OH 2.86Å; D77-Y122 WeakPolarHBondContact OD2-CE2 3.35Å; D77-Y122 PolarHBondContact OD2-OH 2.83Å; L79-Y122 WeakPolarHBondContact CD2-OH 3.48Å; G97-Y122 CarbonylContact C-O 3.59Å; G97-Y122 WeakPolarHBondContact CA-O 3.46Å; L98-Y122 HydrophobicContact CD2-CD2 4.11Å; L98-Y122 HydrophobicContact CG-CD2 4.45Å; L98-Y122 PolarHBondContact N-O 2.71Å; L98-Y122 PolarHBondContact O-N 3.22Å; I100-Y122 HydrophobicContact CD1-CE2 4.12Å; R120-Y122 HydrophobicContact CB-CE2 4.33Å; R120-Y122 HydrophobicContact CG-CD2 4.29Å; R120-Y122 HydrophobicContact CG-CE1 4.46Å; R120-Y122 HydrophobicContact CG-CE2 3.44Å; R120-Y122 VanDerWaalsContact CG-CE2 3.44Å; R120-Y122 WeakPolarHBondContact CG-OH 3.39Å
123W91.9Very high91.3Very high171 Ų17177 Ų7765%0.64837%0.372SS*.EExtended strand (participates in β ladder)trans-83121.4168.1-63105.4000108.9
124L91.5Very high91.5Very high25 Ų2576.5 Ų76.513%0.13137%0.373CS..PPolyproline II helixtrans-80136.6-176.7-59.6177.9000110.7F75 D96 L98 V128 F133F75-L124 HydrophobicContact CD1-CD2 3.98Å; F75-L124 HydrophobicContact CE1-CD2 3.68Å; F75-L124 HydrophobicContact CZ-CD2 4.05Å; D96-L124 WeakPolarHBondContact O-CA 3.26Å; D96-L124 WeakPolarHBondContact O-CB 3.3Å; D96-L124 WeakPolarHBondContact O-CG 3.13Å; D96-L124 PolarHBondContact O-N 2.92Å; L98-L124 HydrophobicContact CB-CD1 4.31Å; L98-L124 HydrophobicContact CB-CD2 3.77Å; L98-L124 HydrophobicContact CB-CG 4.22Å; L124-V128 HydrophobicContact CB-CB 4.43Å; L124-V128 HydrophobicContact CD1-CG1 4.33Å; L124-F133 HydrophobicContact CD1-CE2 3.6Å; L124-F133 HydrophobicContact CD1-CZ 3.69Å; L124-F133 HydrophobicContact CD2-CE2 4.44Å; L124-F133 HydrophobicContact CD2-CZ 3.66Å; L124-F133 HydrophobicContact CG-CZ 4.34Å
125P88.9Confident91.7Very high30 Ų3078.5 Ų78.520%0.19539%0.389CS..PPolyproline II helixtrans-55.6145.8166.7-18.526.6000110.5N70 F75 G127 V128N70-P125 WeakPolarHBondContact OD1-CG 3.32Å; F75-P125 HydrophobicContact CD2-CG 3.88Å; F75-P125 HydrophobicContact CE2-CG 4.43Å; P125-G127 PolarHBondContact O-N 2.9Å; P125-V128 HydrophobicContact CB-CG2 4.24Å; P125-V128 HydrophobicContact CG-CG2 4.28Å; P125-V128 WeakPolarHBondContact O-CG2 3.45Å; P125-V128 PolarHBondContact O-N 3.04Å
126K86.2Confident91.9Very high178 Ų17877.8 Ų77.877%0.77439%0.39SS*.THydrogen-bonded Turntrans-56.6138.9172.8-62.6-175.9178.3-175.60109.9L153K126-L153 HydrophobicContact CB-CD1 3.26Å; K126-L153 WeakPolarHBondContact O-CD1 3.4Å
127G86.8Confident92Very high31 Ų3177.5 Ų77.532%0.3239%0.394SS..THydrogen-bonded Turntrans88.6-1.5178.100000115.3P125 N129 K149 V150P125-G127 PolarHBondContact O-N 2.9Å; G127-N129 PolarHBondContact O-N 2.83Å; G127-K149 CarbonylContact O-C 3.55Å; G127-K149 WeakPolarHBondContact O-CA 3.38Å; G127-V150 PolarHBondContact O-N 2.95Å
128V90.8Very high92Very high14 Ų1473.9 Ų73.99%0.08538%0.381CS..BIsolated β-bridgetrans-69.7126.9165.9176.70000108.7F75 L124 P125 P130 F133 A147 K149F75-V128 HydrophobicContact CB-CG2 3.81Å; F75-V128 HydrophobicContact CG-CG2 4.46Å; L124-V128 HydrophobicContact CB-CB 4.43Å; L124-V128 HydrophobicContact CD1-CG1 4.33Å; P125-V128 HydrophobicContact CB-CG2 4.24Å; P125-V128 HydrophobicContact CG-CG2 4.28Å; P125-V128 WeakPolarHBondContact O-CG2 3.45Å; P125-V128 PolarHBondContact O-N 3.04Å; V128-P130 WeakPolarHBondContact O-CD 3.3Å; V128-F133 HydrophobicContact CG1-CE2 3.83Å; V128-F133 HydrophobicContact CG1-CZ 3.75Å; V128-A147 HydrophobicContact CG1-CB 3.63Å; V128-K149 HydrophobicContact CG2-CG 3.87Å
129N86.2Confident92Very high56 Ų5679.7 Ų79.730%0.29942%0.421SS..  trans-83.7117.7174-179.97.2000109.7G127 E131 S132 A148 V150G127-N129 PolarHBondContact O-N 2.83Å; N129-E131 PolarHBondContact O-N 3.24Å; N129-E131 PolarHBondContact OD1-N 3.29Å; N129-E131 VanDerWaalsContact OD1-N 3.08Å; N129-S132 WeakPolarHBondContact O-CB 3Å; N129-S132 PolarHBondContact O-N 3.3Å; N129-S132 PolarHBondContact O-OG 2.86Å; N129-A148 PolarHBondContact N-O 3.35Å; N129-V150 HydrophobicContact CB-CG2 3.8Å
130P88.1Confident91.9Very high62 Ų6279.9 Ų79.940%0.40342%0.419SS..G310 helixtrans-61.5-28.3179.125.6-35000113.3V128 S132 F133V128-P130 WeakPolarHBondContact O-CD 3.3Å; P130-S132 PolarHBondContact O-N 2.97Å; P130-F133 WeakPolarHBondContact O-CD2 3.49Å
131E88.1Confident92Very high176 Ų17675.6 Ų75.682%0.82241%0.406SS*.G310 helixtrans-76.1-13.9177.5-61.8-178.9173.500112.9N129 F133N129-E131 PolarHBondContact O-N 3.24Å; N129-E131 PolarHBondContact OD1-N 3.29Å; N129-E131 VanDerWaalsContact OD1-N 3.08Å; E131-F133 VanDerWaalsContact C-N 3.33Å
132S91Very high92.1Very high29 Ų2973.5 Ų73.520%0.20339%0.39CS..G310 helixtrans-88.1-0.8-178.7770000114N129 P130 K134 A148N129-S132 WeakPolarHBondContact O-CB 3Å; N129-S132 PolarHBondContact O-N 3.3Å; N129-S132 PolarHBondContact O-OG 2.86Å; P130-S132 PolarHBondContact O-N 2.97Å; S132-K134 PolarHBondContact O-N 2.85Å; S132-A148 PolarHBondContact OG-N 3.02Å; S132-A148 PolarHBondContact OG-O 2.87Å
133F94.1Very high92.2Very high37 Ų3772.8 Ų72.816%0.16239%0.388CS..  trans-63.6135.4179.9-86.3-74.4000111.7F75 T93 L98 L124 V128 P130 E131 T145 E146 A147F75-F133 AromaticContact CD1-CE1 4Å; F75-F133 HydrophobicContact CD1-CE1 4Å; F75-F133 HydrophobicContact CD1-CZ 4.19Å; F75-F133 HydrophobicContact CE1-CE1 4.34Å; T93-F133 HydrophobicContact CG2-CD2 3.64Å; T93-F133 HydrophobicContact CG2-CE2 3.89Å; T93-F133 HydrophobicContact CG2-CG 4.36Å; L98-F133 HydrophobicContact CB-CZ 4.4Å; L98-F133 HydrophobicContact CD1-CD1 4.33Å; L98-F133 HydrophobicContact CD1-CE1 4.21Å; L98-F133 HydrophobicContact CD1-CZ 4.4Å; L98-F133 HydrophobicContact CD2-CE1 3.89Å; L98-F133 HydrophobicContact CD2-CZ 4.32Å; L124-F133 HydrophobicContact CD1-CE2 3.6Å; L124-F133 HydrophobicContact CD1-CZ 3.69Å; L124-F133 HydrophobicContact CD2-CE2 4.44Å; L124-F133 HydrophobicContact CD2-CZ 3.66Å; L124-F133 HydrophobicContact CG-CZ 4.34Å; V128-F133 HydrophobicContact CG1-CE2 3.83Å; V128-F133 HydrophobicContact CG1-CZ 3.75Å; P130-F133 WeakPolarHBondContact O-CD2 3.49Å; E131-F133 VanDerWaalsContact C-N 3.33Å; F133-T145 HydrophobicContact CD1-CG2 3.65Å; F133-T145 HydrophobicContact CE1-CG2 4.09Å; F133-E146 CarbonylContact C-O 3.59Å; F133-E146 VanDerWaalsContact CA-O 3.31Å; F133-E146 WeakPolarHBondContact CA-O 3.46Å; F133-A147 HydrophobicContact CD1-CB 3.5Å; F133-A147 VanDerWaalsContact CD1-CB 3.5Å; F133-A147 HydrophobicContact CD2-CB 4Å; F133-A147 HydrophobicContact CE1-CB 3.42Å; F133-A147 VanDerWaalsContact CE1-CB 3.42Å; F133-A147 HydrophobicContact CE2-CB 3.94Å; F133-A147 HydrophobicContact CG-CB 3.78Å; F133-A147 HydrophobicContact CZ-CB 3.64Å
134K95.4Very high92.4Very high145 Ų14566 Ų6663%0.6337%0.365SS*.EExtended strand (participates in β ladder)trans-131.6139171.6-63.7-179.1-178179.20108.4S132 T145 E146S132-K134 PolarHBondContact O-N 2.85Å; K134-T145 CarbonylContact O-C 3.54Å; K134-T145 WeakPolarHBondContact O-CA 3.21Å; K134-E146 HydrophobicContact CB-CG 4.32Å; K134-E146 PolarHBondContact N-O 3.18Å; K134-E146 PolarHBondContact O-N 3Å
135S95.5Very high92.6Very high79 Ų7964.8 Ų64.855%0.55236%0.36SS*.EExtended strand (participates in β ladder)trans-114.4145.7174.356.50000110.4I91 T144I91-S135 VanDerWaalsContact CD1-CB 3.49Å; S135-T144 CarbonylContact C-O 3.55Å; S135-T144 WeakPolarHBondContact CA-O 3.35Å
136N96.4Very high92.9Very high100 Ų10067.2 Ų67.254%0.53537%0.368SS..EExtended strand (participates in β ladder)trans-140.1128.6173.7-173-78.4000109T144N136-T144 PolarHBondContact N-O 3.18Å; N136-T144 PolarHBondContact O-N 2.8Å
137L96.3Very high93.3Very high62 Ų6259 Ų5933%0.32533%0.333SS..EExtended strand (participates in β ladder)trans-104.5114.7174.1-178.962000109.1V81 P86 L89 L143V81-L137 HydrophobicContact CG2-CD1 3.5Å; V81-L137 VanDerWaalsContact CG2-CD1 3.5Å; P86-L137 HydrophobicContact CB-CD2 4.06Å; P86-L137 HydrophobicContact CG-CD2 3.78Å; L89-L137 HydrophobicContact CD1-CD2 4.41Å; L137-L143 HydrophobicContact CD1-CB 4.21Å
138S95.5Very high93.6Very high36 Ų3660 Ų6025%0.25234%0.338SS..  trans-75.9153.4177.6-68.80000111.2N140 G141 L142S138-N140 WeakPolarHBondContact CB-OD1 3.5Å; S138-N140 PolarHBondContact O-N 2.9Å; S138-N140 VanDerWaalsContact O-N 3.09Å; S138-G141 PolarHBondContact O-N 3.34Å; S138-L142 PolarHBondContact N-O 2.84Å
139P94.7Very high93.6Very high146 Ų14661 Ų6195%0.94834%0.342SS*.THydrogen-bonded Turntrans-65.1-15-178.226.5-36.1000114G141P139-G141 VanDerWaalsContact C-N 3.26Å
140N93.2Very high93.5Very high92 Ų9262.9 Ų62.949%0.49236%0.355SS..THydrogen-bonded Turntrans-85.38172.963-8.1000113.3T82 S138 L142T82-N140 PolarHBondContact OG1-O 3.12Å; S138-N140 WeakPolarHBondContact CB-OD1 3.5Å; S138-N140 PolarHBondContact O-N 2.9Å; S138-N140 VanDerWaalsContact O-N 3.09Å; N140-L142 WeakPolarHBondContact ND2-CD1 3.29Å; N140-L142 WeakPolarHBondContact OD1-CG 3.27Å; N140-L142 PolarHBondContact OD1-N 3.32Å
141G94.1Very high92.5Very high13 Ų1363 Ų6313%0.13437%0.368CS..SBendtrans83.413.5179.300000114.7V81 T82 S138 P139V81-G141 CarbonylContact C-O 3.51Å; V81-G141 WeakPolarHBondContact CA-O 3.44Å; V81-G141 WeakPolarHBondContact CG2-O 3.44Å; V81-G141 PolarHBondContact N-O 2.88Å; T82-G141 PolarHBondContact N-O 2.99Å; S138-G141 PolarHBondContact O-N 3.34Å; P139-G141 VanDerWaalsContact C-N 3.26Å
142L95.2Very high90.9Very high39 Ų3964.5 Ų64.520%0.20437%0.366CS..EExtended strand (participates in β ladder)trans-93.7116.6179.1-56.7-171.5000111.8L66 T78 L79 D80 S138 N140L66-L142 HydrophobicContact CD1-CD1 3.9Å; L66-L142 HydrophobicContact CD1-CD2 3.28Å; L66-L142 HydrophobicContact CD1-CG 4.16Å; T78-L142 HydrophobicContact CG2-CB 4.44Å; L79-L142 CarbonylContact O-C 3.54Å; L79-L142 WeakPolarHBondContact O-CA 3.4Å; D80-L142 HydrophobicContact CB-CD2 4.08Å; S138-L142 PolarHBondContact N-O 2.84Å; N140-L142 WeakPolarHBondContact ND2-CD1 3.29Å; N140-L142 WeakPolarHBondContact OD1-CG 3.27Å; N140-L142 PolarHBondContact OD1-N 3.32Å
143L96.8Very high89.2Confident7 Ų768.2 Ų68.24%0.03738%0.383CS..EExtended strand (participates in β ladder)trans-87.5116173.217864.6000109.3T78 L79 V81 I91 I100 L137T78-L143 WeakPolarHBondContact CA-O 3.32Å; L79-L143 HydrophobicContact CB-CB 4.49Å; L79-L143 PolarHBondContact N-O 2.97Å; L79-L143 PolarHBondContact O-N 3.05Å; V81-L143 HydrophobicContact CG1-CB 4.28Å; V81-L143 HydrophobicContact CG2-CB 3.69Å; I91-L143 HydrophobicContact CD1-CD1 4.34Å; I91-L143 HydrophobicContact CD1-CD2 4.21Å; I100-L143 HydrophobicContact CD1-CD2 4.43Å; I100-L143 HydrophobicContact CG2-CD2 3.84Å; L137-L143 HydrophobicContact CD1-CB 4.21Å
144T96.4Very high87.3Confident28 Ų2872.9 Ų72.917%0.17241%0.405CS..EExtended strand (participates in β ladder)trans-105.4124.1172.1-59.10000109.7Q76 D77 S135 N136Q76-T144 HydrophobicContact CG-CG2 3.78Å; D77-T144 WeakPolarHBondContact O-CA 3.24Å; S135-T144 CarbonylContact C-O 3.55Å; S135-T144 WeakPolarHBondContact CA-O 3.35Å; N136-T144 PolarHBondContact N-O 3.18Å; N136-T144 PolarHBondContact O-N 2.8Å
145T95.9Very high85.6Confident1 Ų170.8 Ų70.81%0.00641%0.409CS..EExtended strand (participates in β ladder)trans-118.2118.7176.9-58.10000108.5Q76 D77 L98 F133 K134Q76-T145 CarbonylContact C-O 3.53Å; Q76-T145 VanDerWaalsContact CA-O 3.29Å; Q76-T145 WeakPolarHBondContact CA-O 3.22Å; D77-T145 PolarHBondContact N-O 3.09Å; D77-T145 PolarHBondContact O-N 3.08Å; L98-T145 HydrophobicContact CD1-CG2 4.26Å; L98-T145 HydrophobicContact CD2-CG2 3.82Å; F133-T145 HydrophobicContact CD1-CG2 3.65Å; F133-T145 HydrophobicContact CE1-CG2 4.09Å; K134-T145 CarbonylContact O-C 3.54Å; K134-T145 WeakPolarHBondContact O-CA 3.21Å
146E95.1Very high84.4Confident80 Ų8071.5 Ų71.537%0.37441%0.409SS..EExtended strand (participates in β ladder)trans-126.8148.5-177.163.9172.8-17200112.5F75 Q76 F133 K134F75-E146 CarbonylContact O-C 3.51Å; F75-E146 VanDerWaalsContact O-CA 3.29Å; F75-E146 WeakPolarHBondContact O-CA 3.42Å; Q76-E146 HydrophobicContact CB-CB 4.15Å; Q76-E146 HydrophobicContact CG-CB 4.15Å; F133-E146 CarbonylContact C-O 3.59Å; F133-E146 VanDerWaalsContact CA-O 3.31Å; F133-E146 WeakPolarHBondContact CA-O 3.46Å; K134-E146 HydrophobicContact CB-CG 4.32Å; K134-E146 PolarHBondContact N-O 3.18Å; K134-E146 PolarHBondContact O-N 3Å
147A94.4Very high83.5Confident5 Ų573.9 Ų73.94%0.04142%0.422CS..EExtended strand (participates in β ladder)trans-142.1147.6173.800000111.3K74 F75 V128 F133K74-A147 CarbonylContact C-O 3.58Å; K74-A147 VanDerWaalsContact CA-O 3.26Å; K74-A147 WeakPolarHBondContact CA-O 3.19Å; K74-A147 WeakPolarHBondContact CB-O 3.4Å; F75-A147 PolarHBondContact N-O 3.48Å; F75-A147 PolarHBondContact O-N 2.81Å; V128-A147 HydrophobicContact CG1-CB 3.63Å; F133-A147 HydrophobicContact CD1-CB 3.5Å; F133-A147 VanDerWaalsContact CD1-CB 3.5Å; F133-A147 HydrophobicContact CD2-CB 4Å; F133-A147 HydrophobicContact CE1-CB 3.42Å; F133-A147 VanDerWaalsContact CE1-CB 3.42Å; F133-A147 HydrophobicContact CE2-CB 3.94Å; F133-A147 HydrophobicContact CG-CB 3.78Å; F133-A147 HydrophobicContact CZ-CB 3.64Å
148A92.3Very high82.7Confident52 Ų5278.1 Ų78.143%0.4344%0.44SS..EExtended strand (participates in β ladder)trans-79.7142.2174.200000110.5N129 S132N129-A148 PolarHBondContact N-O 3.35Å; S132-A148 PolarHBondContact OG-N 3.02Å; S132-A148 PolarHBondContact OG-O 2.87Å
149K91.2Very high82.3Confident35 Ų3586 Ų8615%0.15247%0.469CS..BIsolated β-bridgetrans-90.5128.8168.5-68-174.6-176.3176.20109.7N70 D71 K73 G127 V128 G151N70-K149 WeakPolarHBondContact OD1-CE 3.39Å; N70-K149 PolarHBondContact OD1-NZ 3.13Å; D71-K149 WeakPolarHBondContact O-CD 3.27Å; D71-K149 WeakPolarHBondContact O-CE 3.34Å; D71-K149 PolarHBondContact O-NZ 2.63Å; K73-K149 PolarHBondContact O-N 3.5Å; G127-K149 CarbonylContact O-C 3.55Å; G127-K149 WeakPolarHBondContact O-CA 3.38Å; V128-K149 HydrophobicContact CG2-CG 3.87Å; K149-G151 PolarHBondContact O-N 2.77Å
150V83Confident82Confident97 Ų9786 Ų8659%0.58846%0.46SS*.  trans-71.7111.8171.5-173.40000107G127 N129G127-V150 PolarHBondContact O-N 2.95Å; N129-V150 HydrophobicContact CB-CG2 3.8Å
151G67.3Low81.9Confident64 Ų6486.1 Ų86.166%0.6647%0.466SS*.SBendtrans-58.2147.7-169.500000114.9K149K149-G151 PolarHBondContact O-N 2.77Å
152R55.1Low81.7Confident208 Ų20893.2 Ų93.279%0.78550%0.499SS*.  trans7265.2179.3-64.2-161.3-177.2-155.61.7117.2H154R152-H154 WeakPolarHBondContact CD-NE2 3.07Å; R152-H154 PolarHBondContact O-N 3.01Å
153L55.3Low81.6Confident107 Ų107100.3 Ų100.356%0.5653%0.528SS*.  trans-74.1102.8134.4-90.6150.3000107.7K126 S155K126-L153 HydrophobicContact CB-CD1 3.26Å; K126-L153 WeakPolarHBondContact O-CD1 3.4Å; L153-S155 PolarHBondContact O-N 2.84Å
154H55.2Low81.2Confident134 Ų134111.4 Ų111.462%0.6257%0.57SS**  trans-57.5102.4167.4-48.5120.8000107.5R152 V156R152-H154 WeakPolarHBondContact CD-NE2 3.07Å; R152-H154 PolarHBondContact O-N 3.01Å; H154-V156 PolarHBondContact O-N 3.15Å
155S59.3Low80.8Confident102 Ų102114.8 Ų114.871%0.71360%0.601SS**  trans-66.194.8163.6510000106L153 D157L153-S155 PolarHBondContact O-N 2.84Å; S155-D157 PolarHBondContact O-N 2.71Å; S155-D157 VanDerWaalsContact O-N 3.08Å
156V69Low80.2Confident93 Ų93124.7 Ų124.756%0.56464%0.644SS**  trans-67.4109.8169.8-179.90000105.5H154 H158H154-V156 PolarHBondContact O-N 3.15Å; V156-H158 VanDerWaalsContact CG1-CE1 3.42Å; V156-H158 WeakPolarHBondContact CG1-CE1 3.29Å; V156-H158 PolarHBondContact O-CD2 3.25Å; V156-H158 PolarHBondContact O-N 3.21Å
157D78Confident79.4Confident150 Ų150134 Ų13480%0.80268%0.683SS**  trans-61.8105.5174.4-72.2-21.9000108.6S155S155-D157 PolarHBondContact O-N 2.71Å; S155-D157 VanDerWaalsContact O-N 3.08Å
158H78.8Confident78.6Confident152 Ų152140.5 Ų140.570%0.70472%0.715SS**  trans-93.2106177.1-64.9-68.2000109.4V156 I160V156-H158 VanDerWaalsContact CG1-CE1 3.42Å; V156-H158 WeakPolarHBondContact CG1-CE1 3.29Å; V156-H158 PolarHBondContact O-CD2 3.25Å; V156-H158 PolarHBondContact O-N 3.21Å; H158-I160 PolarHBondContact O-N 3.39Å
159K88.6Confident77.9Confident200 Ų200145.1 Ų145.187%0.8773%0.73SS**  trans-68.2113.1172.8-173.5177.8-177.6175.80109.7P161K159-P161 VanDerWaalsContact O-CD 3.27Å; K159-P161 WeakPolarHBondContact O-CD 3.31Å
160I88.3Confident77.2Confident146 Ų146151.2 Ų151.275%0.74976%0.762SS**  trans-89.6109.5175.1-56.2173.3000108.6H158 I162H158-I160 PolarHBondContact O-N 3.39Å; I160-I162 PolarHBondContact O-N 3.41Å
161P90.1Very high76.8Confident95 Ų95154.4 Ų154.462%0.61777%0.772SS**PPolyproline II helixtrans-74128178.429.7-33.5000111K159K159-P161 VanDerWaalsContact O-CD 3.27Å; K159-P161 WeakPolarHBondContact O-CD 3.31Å
162I89.8Confident77.4Confident163 Ų163160.1 Ų160.184%0.83678%0.779SS**PPolyproline II helixtrans-85.1117.8172.3-57.9172.8000108.6I160I160-I162 PolarHBondContact O-N 3.41Å
163K93.5Very high78.9Confident188 Ų188156.9 Ų156.982%0.81778%0.779SS**PPolyproline II helixtrans-103.5129.8170.7-65.5-178-179.1177.70109.1
164R89Confident80.6Confident239 Ų239160.4 Ų160.490%0.90280%0.795SS**PPolyproline II helixtrans-78.7135.8170.7-66.7-176.7179.2-177.4-0.4109.1
165A86.9Confident82.6Confident100 Ų100162.5 Ų162.583%0.82681%0.808SS**PPolyproline II helixtrans-64.1135.5169.900000109.4
166K83.9Confident84.5Confident208 Ų208167.5 Ų167.590%0.90482%0.816SS**PPolyproline II helixtrans-76.7132.8171.9-69.9-174.6177.2-178.60108.5
167K78.1Confident85.9Confident276 Ų276174.3 Ų174.3100%1.284%0.839SS**  trans-75.80173.2-174.5176.9179.6178.30110.3

Retrieved 167 of 167 residues in 175.1 ms (Link to these results)