A0A077ZEV1_TRITR Loading...

HSP20 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEV1, 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
1M38.5Very low34.6Very low249 Ų249144.3 Ų144.3100%1.22779%0.791SS**  097.80-67.6159.8123.600106.9
2S39.6Very low34.8Very low111 Ų111147.6 Ų147.678%0.77679%0.785SS**  trans-154.6110.8175.6-177.10000108.4T4S2-T4 PolarHBondContact O-N 3.46Å
3S34.7Very low35.2Very low121 Ų121148.3 Ų148.385%0.84678%0.781SS**  trans-72116.2178.2-169.10000108.5
4T39.3Very low35.1Very low111 Ų111148.4 Ų148.468%0.68178%0.782SS**  trans-91.6102176.5-50.10000108.1S2 R6S2-T4 PolarHBondContact O-N 3.46Å; T4-R6 PolarHBondContact O-N 3.42Å
5N31Very low35.5Very low161 Ų161141.1 Ų141.186%0.86175%0.748SS**  trans-76.4107.2172.4-149.99.1000108.3
6R34.7Very low35.6Very low211 Ų211139.9 Ų139.980%0.79674%0.742SS**  trans-100.6112.7178.5-106.7-170-79.2175.4-5.1109.7T4T4-R6 PolarHBondContact O-N 3.42Å
7Y29.3Very low36Very low238 Ų238137.8 Ų137.893%0.93373%0.731SS**  trans-53.6130165.7-116.7-107.9000110.1
8V33.1Very low36.2Very low93 Ų93142.2 Ų142.256%0.56474%0.736SS**  trans-112.3126.3171-176.50000109.2
9S32.5Very low36.1Very low109 Ų109143.9 Ų143.976%0.76275%0.745SS**  trans-59132.6-178.845.20000114
10N34.5Very low36.1Very low89 Ų89141.1 Ų141.148%0.47674%0.738SS.*  trans-65.1129170.5-87.90.5000111.5Y12 T119N10-Y12 HydrophobicContact CB-CD2 3.96Å; N10-Y12 HydrophobicContact CB-CE2 3.91Å; N10-Y12 PolarHBondContact O-N 2.95Å; N10-Y12 VanDerWaalsContact O-N 3.11Å; N10-T119 PolarHBondContact ND2-O 2.9Å
11A33.9Very low36.1Very low94 Ų94141.1 Ų141.178%0.77774%0.739SS**  trans-71.297.516000000108.4
12Y36.3Very low35.9Very low184 Ų184141 Ų14172%0.72272%0.724SS**  trans-79.9107.3160.9-83.2-96000107.4N10 N14N10-Y12 HydrophobicContact CB-CD2 3.96Å; N10-Y12 HydrophobicContact CB-CE2 3.91Å; N10-Y12 PolarHBondContact O-N 2.95Å; N10-Y12 VanDerWaalsContact O-N 3.11Å; Y12-N14 PolarHBondContact O-N 3.17Å
13E39.6Very low35.8Very low157 Ų157141.3 Ų141.373%0.73473%0.727SS**  trans-68.1117.1154.8-76.8-176.7133.500106.9C15E13-C15 PolarHBondContact O-N 2.83Å
14N33.8Very low35.8Very low149 Ų149138.6 Ų138.680%0.79772%0.718SS**  trans-64.396.2-173-159.37000109.5Y12 D16Y12-N14 PolarHBondContact O-N 3.17Å; N14-D16 PolarHBondContact O-N 2.6Å
15C41.3Very low35.8Very low39 Ų39143.2 Ų143.226%0.26473%0.729SS.*  trans-75.7108.9166.8-55.30000107.6E13 D17 C123E13-C15 PolarHBondContact O-N 2.83Å; C15-D17 VanDerWaalsContact C-N 3.33Å; C15-D17 PolarHBondContact O-N 2.89Å; C15-C123 HydrophobicContact CB-CB 4.15Å; C15-C123 WeakPolarHBondContact CB-SG 3.44Å; C15-C123 WeakPolarHBondContact SG-CB 3.42Å; C15-C123 CovalentContact SG-SG 2Å; C15-C123 PolarHBondContact SG-SG 2.85Å
16D37.6Very low36.2Very low123 Ų123147.6 Ų147.666%0.65873%0.733SS**  trans-60.786.4-173.8-129.6-42.9000111.5N14 R18N14-D16 PolarHBondContact O-N 2.6Å; D16-R18 PolarHBondContact O-N 3.25Å; D16-R18 WeakPolarHBondContact OD1-CB 3.46Å; D16-R18 WeakPolarHBondContact OD1-CG 3.48Å
17D42.1Very low36.5Very low104 Ų104147.4 Ų147.456%0.55673%0.732SS**  trans-75.238.6168-85.8-37.4000111.2C15 L19 R97C15-D17 VanDerWaalsContact C-N 3.33Å; C15-D17 PolarHBondContact O-N 2.89Å; D17-L19 VanDerWaalsContact C-N 3.26Å; D17-L19 PolarHBondContact O-N 2.75Å; D17-R97 IonicContact OD1-NH2 3.61Å; D17-R97 IonicContact OD2-CZ 3.9Å; D17-R97 IonicContact OD2-NH2 2.73Å; D17-R97 PolarHBondContact OD2-NH2 3.17Å
18R39.4Very low36.8Very low217 Ų217147.8 Ų147.882%0.81973%0.732SS**THydrogen-bonded Turntrans-81.93.5179.7-96.5-171.7150.2178.7-3.6114.8D16D16-R18 PolarHBondContact O-N 3.25Å; D16-R18 WeakPolarHBondContact OD1-CB 3.46Å; D16-R18 WeakPolarHBondContact OD1-CG 3.48Å
19L35Very low37.7Very low175 Ų175148.4 Ų148.492%0.91674%0.741SS**THydrogen-bonded Turntrans-134.738.4-175.8-66.2173.8000114.2D17D17-L19 VanDerWaalsContact C-N 3.26Å; D17-L19 PolarHBondContact O-N 2.75Å
20S35.5Very low38Very low86 Ų86149.3 Ų149.360%0.60174%0.737SS**SBendtrans-154.530.8170.570.70000116.4
21L35.6Very low38.8Very low143 Ų143152.3 Ų152.375%0.74975%0.754SS**  trans-138.560.9172.2-86161.2000111.5
22R34.5Very low39.6Very low245 Ų245156.4 Ų156.493%0.92576%0.761SS**SBendtrans-94.1115.1146.1-83.1-171.9177.4-138.81.1106.9
23S37.5Very low39.8Very low118 Ų118157.2 Ų157.283%0.82576%0.763SS**SBendtrans84.1131.2-178.891.10000115.4
24G36Very low39.9Very low65 Ų65154.8 Ų154.867%0.6776%0.761SS**  trans12963.7167.100000115.7R26G24-R26 PolarHBondContact O-N 3.2Å
25K38Very low40.9Very low207 Ų207155.2 Ų155.290%0.976%0.761SS**  trans-48.7118.8159.5-81.6170.2170177.70110
26R40.6Very low41.2Very low254 Ų254157.5 Ų157.596%0.95878%0.784SS**  trans-148.2137.5140.2-69.8-158.6-159.4179.39.8110.8G24G24-R26 PolarHBondContact O-N 3.2Å
27R39.7Very low41.6Very low206 Ų206161.8 Ų161.878%0.77779%0.79SS**  trans-104.1126.7-169.7164.2-175.7131-161.9-1.9108
28W37.3Very low41.7Very low246 Ų246165.6 Ų165.693%0.93281%0.805SS**  trans-179.8127.4153-86.7-20.2000106.2
29S50.2Low41.9Very low107 Ų107162.9 Ų162.975%0.74881%0.805SS**  cis-143.3139.75.8-66.20000108.7
30D39.8Very low42.2Very low127 Ų127162.9 Ų162.968%0.67980%0.8SS**  trans-56142167.9-54.2-63.9000110.3
31N51.6Low42.7Very low153 Ų153166 Ų16682%0.81881%0.81SS**  trans152.321.3153.6-72.6-18.7000114.9
32L49.7Very low43.4Very low179 Ų179166 Ų16694%0.93781%0.809SS**  trans-118.349.7175.5-66.4178.4000113.5
33W41.1Very low43.7Very low202 Ų202161.7 Ų161.777%0.76581%0.805SS**  trans-158.587.6163.2177.1-82.1000107.8
34P41.8Very low44.1Very low105 Ų105167.3 Ų167.368%0.68281%0.808SS**SBend-142165.8102.627.9-8.1000112.4
35I54.1Low44.6Very low158 Ų158168.4 Ų168.481%0.8181%0.811SS**  trans1047.4172.1-44.6156.5000116.2R37I35-R37 VanDerWaalsContact C-N 3.29Å; I35-R37 PolarHBondContact O-N 3.12Å
36A47.9Very low45.1Very low88 Ų88163.1 Ų163.173%0.72780%0.8SS**  trans-91.844.2165.100000113.3
37R46.8Very low45.6Very low213 Ų213160.2 Ų160.280%0.80480%0.795SS**  trans-153.781168.3-83.4-166.8179.7153.3-0.3109.8I35I35-R37 VanDerWaalsContact C-N 3.29Å; I35-R37 PolarHBondContact O-N 3.12Å
38Q43Very low46Very low184 Ų184156 Ų15686%0.8680%0.797SS**  trans-164.355157.2-117.3178.7-38.900109.1
39I45.2Very low46.1Very low160 Ų160150 Ų15082%0.82179%0.792SS**  trans-112.9134.5155.5-62.3172.9000102.4
40E40.1Very low46.2Very low174 Ų174150 Ų15081%0.81379%0.79SS**  trans95.183.7-162.8-55.8163.5-161.500110.9
41D45.4Very low46.6Very low151 Ų151150.2 Ų150.281%0.80780%0.796SS**  trans-173.8121.9131.8-96-26.7000114
42I52Low46.7Very low144 Ų144148.4 Ų148.474%0.73880%0.795SS**  trans91.687.6141.1-54.7159.9000118R44I42-R44 PolarHBondContact O-N 2.96Å
43D38.9Very low46.7Very low154 Ų154144.2 Ų144.282%0.82479%0.786SS**  trans-37.6115.9136.3-75.1-53.9000112
44R46.2Very low47Very low236 Ų236143.2 Ų143.289%0.89179%0.79SS**  trans172.6139.3134.6-102.8174.316598.9-3113.2I42I42-R44 PolarHBondContact O-N 2.96Å
45A48.1Very low47.3Very low89 Ų89144.2 Ų144.274%0.73680%0.796SS**  trans79.8101.515700000115.8
46S47Very low46.7Very low96 Ų96147.9 Ų147.967%0.67180%0.8SS**  104.1131.462.6-75.90000109.7
47F52.3Low46.8Very low193 Ų193147.4 Ų147.485%0.84680%0.796SS**  trans76.389165.2-50.9-69.7000117.8
48S47.2Very low46.4Very low118 Ų118143.5 Ų143.583%0.82580%0.796SS**  157.8124.2109.552.50000110.4
49S40.6Very low46.3Very low118 Ų118143.3 Ų143.383%0.82580%0.795SS**  trans-87.1144.7173.5-52.30000110.2
50P50.6Low45.8Very low109 Ų109141.2 Ų141.271%0.70879%0.794SS**  -134.4117121.920.7-1.3000110.7
51T49.5Very low46Very low130 Ų130136.8 Ų136.880%0.79879%0.788SS**  68.2119.5101.159.90000116.4
52S53.8Low46.4Very low116 Ų116133.8 Ų133.881%0.81178%0.778SS**  trans62.993.5157.4-143.50000116.8
53A49.2Very low46.8Very low90 Ų90130.2 Ų130.274%0.74477%0.766SS**  62.988.389.500000113.7
54E47.9Very low48.7Very low182 Ų182123.7 Ų123.785%0.8574%0.735SS**  trans-158.3125.5136.2-113.8-167.8112.400109.4R56E54-R56 PolarHBondContact O-N 2.69Å
55P47Very low50.7Low125 Ų125114.5 Ų114.581%0.81271%0.705SS**  trans-73.898171.530.2-29.4000107.7A57P55-A57 PolarHBondContact O-N 3.46Å
56R41.8Very low52.7Low236 Ų236114.8 Ų114.889%0.89169%0.694SS**  trans-63.2106.3174.3-154.2172-178.41671107.7E54 T58E54-R56 PolarHBondContact O-N 2.69Å; R56-T58 PolarHBondContact O-N 3.01Å; R56-T58 VanDerWaalsContact O-N 3.14Å
57A49.5Very low54.9Low78 Ų78112.3 Ų112.365%0.64568%0.676SS**  trans-45121.8176.500000109.3P55 H59P55-A57 PolarHBondContact O-N 3.46Å; A57-H59 PolarHBondContact O-N 3.26Å; A57-H59 VanDerWaalsContact O-N 3.1Å
58T39.9Very low56.9Low130 Ų130106.3 Ų106.380%0.79866%0.655SS**  trans-58113.3172.737.90000107.7R56 S60R56-T58 PolarHBondContact O-N 3.01Å; R56-T58 VanDerWaalsContact O-N 3.14Å; T58-S60 PolarHBondContact O-N 2.86Å
59H40.7Very low59.1Low181 Ų181103.1 Ų103.184%0.83863%0.629SS**  trans-67.575.5165.2-77.2-98.6000108.4A57 A61A57-H59 PolarHBondContact O-N 3.26Å; A57-H59 VanDerWaalsContact O-N 3.1Å; H59-A61 VanDerWaalsContact C-N 3.29Å; H59-A61 PolarHBondContact O-N 2.9Å
60S34.6Very low61.6Low115 Ų115101.6 Ų101.680%0.80461%0.611SS**  trans-80.676.4168-168.60000107.4T58T58-S60 PolarHBondContact O-N 2.86Å
61A44.2Very low63.4Low82 Ų82100.7 Ų100.768%0.67860%0.601SS**  trans-152.914.9-17500000115.5H59H59-A61 VanDerWaalsContact C-N 3.29Å; H59-A61 PolarHBondContact O-N 2.9Å
62S53.7Low65.2Low88 Ų88101.5 Ų101.562%0.61560%0.6SS**  trans-89.72-17871.20000114.4G64S62-G64 PolarHBondContact O-N 3.49Å; S62-G64 VanDerWaalsContact O-N 3.14Å
63S61.2Low66.8Low68 Ų68104.5 Ų104.548%0.47660%0.598SS.*  trans-81.194.3167.8-165.60000106.4V65S63-V65 PolarHBondContact O-N 2.75Å; S63-V65 WeakPolarHBondContact OG-CG2 3.36Å
64G78.7Confident68.8Low17 Ų17103.7 Ų103.718%0.17558%0.578CS.*  trans-5925.4168.800000114.1S62 L79 D80 R120S62-G64 PolarHBondContact O-N 3.49Å; S62-G64 VanDerWaalsContact O-N 3.14Å; G64-L79 CarbonylContact O-C 3.57Å; G64-L79 WeakPolarHBondContact O-CA 3.28Å; G64-D80 PolarHBondContact O-N 3.2Å; G64-R120 PolarHBondContact O-NH1 2.82Å
65V87Confident71Confident44 Ų4495.2 Ų95.227%0.26754%0.539SS..EExtended strand (participates in β ladder)trans-88.9118.6166.1-175.30000106.3S63 V68 L79 R120 Y122S63-V65 PolarHBondContact O-N 2.75Å; S63-V65 WeakPolarHBondContact OG-CG2 3.36Å; V65-V68 HydrophobicContact CG1-CG2 4Å; V65-L79 HydrophobicContact CB-CD2 4.14Å; V65-L79 HydrophobicContact CG1-CD2 4.07Å; V65-L79 HydrophobicContact CG2-CD2 3.92Å; V65-R120 VanDerWaalsContact N-NH1 3.2Å; V65-Y122 VanDerWaalsContact CG2-OH 3.29Å; V65-Y122 WeakPolarHBondContact CG2-OH 3.43Å
66L90.9Very high73.2Confident95 Ų9590.5 Ų90.550%0.49751%0.506SS..EExtended strand (participates in β ladder)trans-92.2-40.7177.3-62.8-176.8000111.5T78 D80 L142L66-T78 HydrophobicContact CB-CG2 4.29Å; L66-T78 HydrophobicContact CD1-CG2 4.34Å; L66-T78 PolarHBondContact N-O 3.45Å; L66-D80 HydrophobicContact CD1-CB 4.26Å; L66-D80 HydrophobicContact CD2-CB 4.31Å; L66-D80 HydrophobicContact CG-CB 4.2Å; L66-L142 HydrophobicContact CD1-CD1 3.86Å; L66-L142 HydrophobicContact CD1-CD2 3.35Å; L66-L142 HydrophobicContact CD1-CG 4.13Å
67S92.8Very high75.8Confident43 Ų4379.3 Ų79.330%0.30146%0.463SS..EExtended strand (participates in β ladder)trans-159.6152.7178.165.40000113.1T78S67-T78 PolarHBondContact N-O 2.66Å; S67-T78 PolarHBondContact O-N 2.83Å; S67-T78 VanDerWaalsContact OG-CB 3.28Å; S67-T78 WeakPolarHBondContact OG-CB 3.24Å; S67-T78 PolarHBondContact OG-OG1 2.96Å
68V94.6Very high78Confident67 Ų6776.2 Ų76.241%0.40644%0.437SS..EExtended strand (participates in β ladder)trans-132.5124.3167.4-1780000107.2V65 F75 Q76 V77 Y122V65-V68 HydrophobicContact CG1-CG2 4Å; V68-F75 HydrophobicContact CG1-CE2 4.29Å; V68-Q76 CarbonylContact C-O 3.48Å; V68-Q76 WeakPolarHBondContact CA-O 3.38Å; V68-V77 HydrophobicContact CG1-CG2 4.35Å; V68-V77 HydrophobicContact CG2-CG2 4.45Å; V68-Y122 HydrophobicContact CG2-CD1 4.32Å; V68-Y122 HydrophobicContact CG2-CE1 3.72Å
69I93.6Very high80.7Confident51 Ų5170 Ų7026%0.26240%0.399SS..EExtended strand (participates in β ladder)trans-118.6131.3-179.8-58.4171.7000107.6D71 F75 Q76I69-D71 VanDerWaalsContact CG2-OD2 3.24Å; I69-D71 WeakPolarHBondContact CG2-OD2 3.29Å; I69-F75 CarbonylContact O-C 3.53Å; I69-F75 WeakPolarHBondContact O-CA 2.98Å; I69-Q76 HydrophobicContact CB-CB 4.23Å; I69-Q76 PolarHBondContact N-O 2.84Å; I69-Q76 PolarHBondContact O-N 2.78Å
70N92.4Very high83.3Confident86 Ų8664.9 Ų64.946%0.4638%0.377SS..EExtended strand (participates in β ladder)trans-140.464.8-177-173.519.2000110.9F75 P125 K149N70-F75 HydrophobicContact CB-CD2 4.21Å; N70-P125 WeakPolarHBondContact OD1-CG 3.33Å; N70-K149 WeakPolarHBondContact OD1-CE 3.38Å; N70-K149 PolarHBondContact OD1-NZ 2.92Å
71D88.7Confident86.2Confident91 Ų9159.5 Ų59.549%0.48734%0.34SS..  trans-90.4167.7-178.3-56.9-32.4000111.2I69 K73 K74 K149I69-D71 VanDerWaalsContact CG2-OD2 3.24Å; I69-D71 WeakPolarHBondContact CG2-OD2 3.29Å; D71-K73 PolarHBondContact O-N 3.06Å; D71-K74 PolarHBondContact N-O 2.66Å; D71-K74 PolarHBondContact O-N 2.81Å; D71-K149 WeakPolarHBondContact O-CD 3.17Å; D71-K149 WeakPolarHBondContact O-CE 3.5Å; D71-K149 PolarHBondContact O-NZ 3.08Å
72D86.5Confident88.6Confident147 Ų14758.3 Ų58.379%0.78633%0.329SS*.SBendtrans-57-21.3179.5-65.2-33.5000114.6
73K87.6Confident90.4Very high178 Ų17859.9 Ų59.977%0.77433%0.327SS*.SBendtrans-95.7-33.5-177-61-179.9-177.5177.60113.5D71 K149D71-K73 PolarHBondContact O-N 3.06Å; K73-K149 PolarHBondContact O-N 2.51Å
74K90.7Very high92Very high73 Ų7358.1 Ų58.132%0.31731%0.311SS..EExtended strand (participates in β ladder)trans-152.8158-170.768.1169.9-178168.30113D71 A147D71-K74 PolarHBondContact N-O 2.66Å; D71-K74 PolarHBondContact O-N 2.81Å; K74-A147 CarbonylContact C-O 3.57Å; K74-A147 VanDerWaalsContact CA-O 3.29Å; K74-A147 WeakPolarHBondContact CA-O 3.44Å; K74-A147 WeakPolarHBondContact CB-O 3.36Å
75F94.1Very high92.7Very high5 Ų562.6 Ų62.62%0.02233%0.325CS..EExtended strand (participates in β ladder)trans-118.9133.6166174.7-100.6000108.3V68 I69 N70 V77 L98 L124 P125 I128 F133 E146 A147V68-F75 HydrophobicContact CG1-CE2 4.29Å; I69-F75 CarbonylContact O-C 3.53Å; I69-F75 WeakPolarHBondContact O-CA 2.98Å; N70-F75 HydrophobicContact CB-CD2 4.21Å; F75-V77 HydrophobicContact CE1-CG2 3.81Å; F75-V77 HydrophobicContact CE2-CG2 4.49Å; F75-V77 HydrophobicContact CZ-CG2 3.66Å; F75-L98 HydrophobicContact CE1-CD2 4Å; F75-L124 HydrophobicContact CD1-CD2 4.1Å; F75-L124 HydrophobicContact CE1-CD2 3.69Å; F75-L124 HydrophobicContact CZ-CD2 4.19Å; F75-P125 HydrophobicContact CB-CG 4.22Å; F75-P125 HydrophobicContact CD2-CG 4.1Å; F75-P125 HydrophobicContact CG-CG 4.32Å; F75-I128 HydrophobicContact CB-CD1 3.34Å; F75-I128 HydrophobicContact CD1-CD1 4.12Å; F75-I128 HydrophobicContact CG-CD1 3.84Å; F75-F133 HydrophobicContact CD1-CE1 4.04Å; F75-F133 HydrophobicContact CD1-CZ 4.33Å; F75-F133 HydrophobicContact CE1-CE1 4.36Å; F75-E146 CarbonylContact O-C 3.53Å; F75-E146 VanDerWaalsContact O-CA 3.27Å; F75-E146 WeakPolarHBondContact O-CA 3.44Å; F75-A147 PolarHBondContact N-O 3.22Å; F75-A147 PolarHBondContact O-N 3.12Å
76Q95.1Very high93.1Very high26 Ų2664.3 Ų64.312%0.12134%0.338CS..EExtended strand (participates in β ladder)trans-144.9137.9-178.7178-173.9-26.800110.7V68 I69 T78 T144 I145 E146V68-Q76 CarbonylContact C-O 3.48Å; V68-Q76 WeakPolarHBondContact CA-O 3.38Å; I69-Q76 HydrophobicContact CB-CB 4.23Å; I69-Q76 PolarHBondContact N-O 2.84Å; I69-Q76 PolarHBondContact O-N 2.78Å; Q76-T78 PolarHBondContact NE2-OG1 2.84Å; Q76-T144 HydrophobicContact CG-CG2 3.86Å; Q76-I145 CarbonylContact C-O 3.59Å; Q76-I145 WeakPolarHBondContact CA-O 3.47Å; Q76-E146 HydrophobicContact CB-CB 4.1Å; Q76-E146 HydrophobicContact CG-CB 4.11Å
77V95.9Very high93.4Very high0 Ų067.3 Ų67.30%035%0.349CS..EExtended strand (participates in β ladder)trans-123.4132.8173.61770000108.2V68 F75 L79 L98 I100 Y122 T144 I145V68-V77 HydrophobicContact CG1-CG2 4.35Å; V68-V77 HydrophobicContact CG2-CG2 4.45Å; F75-V77 HydrophobicContact CE1-CG2 3.81Å; F75-V77 HydrophobicContact CE2-CG2 4.49Å; F75-V77 HydrophobicContact CZ-CG2 3.66Å; V77-L79 HydrophobicContact CG1-CD2 3.59Å; V77-L79 HydrophobicContact CG1-CG 3.98Å; V77-L98 HydrophobicContact CG2-CD2 4.25Å; V77-I100 HydrophobicContact CG1-CD1 4.36Å; V77-Y122 HydrophobicContact CG1-CD2 4.28Å; V77-Y122 HydrophobicContact CG1-CE1 4.31Å; V77-Y122 HydrophobicContact CG1-CE2 3.68Å; V77-Y122 HydrophobicContact CG2-CD1 4.25Å; V77-Y122 HydrophobicContact CG2-CD2 4.14Å; V77-Y122 HydrophobicContact CG2-CE1 4.43Å; V77-Y122 HydrophobicContact CG2-CE2 4.33Å; V77-Y122 HydrophobicContact CG2-CG 4.1Å; V77-T144 CarbonylContact O-C 3.46Å; V77-T144 WeakPolarHBondContact O-CA 3.41Å; V77-I145 PolarHBondContact N-O 3.3Å; V77-I145 PolarHBondContact O-N 3.29Å
78T95.8Very high93.5Very high14 Ų1466.9 Ų66.99%0.08634%0.342CS..EExtended strand (participates in β ladder)trans-122.2123.2175.1-44.50000109.5L66 S67 Q76 L143L66-T78 HydrophobicContact CB-CG2 4.29Å; L66-T78 HydrophobicContact CD1-CG2 4.34Å; L66-T78 PolarHBondContact N-O 3.45Å; S67-T78 PolarHBondContact N-O 2.66Å; S67-T78 PolarHBondContact O-N 2.83Å; S67-T78 VanDerWaalsContact OG-CB 3.28Å; S67-T78 WeakPolarHBondContact OG-CB 3.24Å; S67-T78 PolarHBondContact OG-OG1 2.96Å; Q76-T78 PolarHBondContact NE2-OG1 2.84Å; T78-L143 CarbonylContact C-O 3.52Å; T78-L143 WeakPolarHBondContact CA-O 3.21Å
79L96Very high93.6Very high0 Ų065.1 Ų65.10%033%0.33CS..EExtended strand (participates in β ladder)trans-120.9142-179.2-52.8-170000111.2G64 V65 V77 V81 I100 F118 Y122 L142 L143G64-L79 CarbonylContact O-C 3.57Å; G64-L79 WeakPolarHBondContact O-CA 3.28Å; V65-L79 HydrophobicContact CB-CD2 4.14Å; V65-L79 HydrophobicContact CG1-CD2 4.07Å; V65-L79 HydrophobicContact CG2-CD2 3.92Å; V77-L79 HydrophobicContact CG1-CD2 3.59Å; V77-L79 HydrophobicContact CG1-CG 3.98Å; L79-V81 HydrophobicContact CB-CG1 4.09Å; L79-I100 HydrophobicContact CD1-CB 4.45Å; L79-I100 HydrophobicContact CD1-CD1 3.56Å; L79-I100 HydrophobicContact CD1-CG2 4.12Å; L79-I100 HydrophobicContact CG-CD1 4.35Å; L79-F118 HydrophobicContact CD1-CE2 4.37Å; L79-Y122 WeakPolarHBondContact CD2-OH 3.32Å; L79-L142 CarbonylContact O-C 3.54Å; L79-L142 WeakPolarHBondContact O-CA 3.49Å; L79-L143 HydrophobicContact CB-CB 4.49Å; L79-L143 PolarHBondContact N-O 2.93Å; L79-L143 PolarHBondContact O-N 3.21Å
80D95.6Very high93.8Very high72 Ų7268.1 Ų68.139%0.38534%0.343SS..EExtended strand (participates in β ladder)trans-82.3117.1161.7-176.2-2.1000109.1G64 L66 A82 L142G64-D80 PolarHBondContact O-N 3.2Å; L66-D80 HydrophobicContact CD1-CB 4.26Å; L66-D80 HydrophobicContact CD2-CB 4.31Å; L66-D80 HydrophobicContact CG-CB 4.2Å; D80-A82 WeakPolarHBondContact OD1-CB 3.08Å; D80-A82 PolarHBondContact OD1-N 2.85Å; D80-L142 HydrophobicContact CB-CD2 4.07Å
81V95.5Very high94Very high3 Ų367 Ų672%0.01834%0.337CS..  trans-129.926.9178.9-63.20000110.7L79 H83 F84 L89 F118 L137 G141 L143L79-V81 HydrophobicContact CB-CG1 4.09Å; V81-H83 PolarHBondContact O-N 2.84Å; V81-F84 HydrophobicContact CB-CD2 4.3Å; V81-F84 PolarHBondContact O-N 3.1Å; V81-L89 HydrophobicContact CB-CD1 4.24Å; V81-L89 HydrophobicContact CB-CD2 4.36Å; V81-L89 HydrophobicContact CG1-CD2 4.27Å; V81-L89 HydrophobicContact CG2-CD1 3.84Å; V81-F118 HydrophobicContact CG1-CE1 4.13Å; V81-F118 HydrophobicContact CG1-CZ 3.89Å; V81-L137 HydrophobicContact CG2-CD1 3.65Å; V81-G141 CarbonylContact C-O 3.53Å; V81-G141 VanDerWaalsContact CG2-O 3.23Å; V81-G141 WeakPolarHBondContact CG2-O 3.31Å; V81-G141 PolarHBondContact N-O 2.92Å; V81-L143 HydrophobicContact CG1-CB 4.36Å; V81-L143 HydrophobicContact CG2-CB 3.67Å
82A94.1Very high94.3Very high56 Ų5665.4 Ų65.446%0.46333%0.33SS..THydrogen-bonded Turntrans-58.1-17.5-176.100000114.9D80 G141D80-A82 WeakPolarHBondContact OD1-CB 3.08Å; D80-A82 PolarHBondContact OD1-N 2.85Å; A82-G141 PolarHBondContact N-O 2.83Å
83H92Very high94.6Very high121 Ų12161.1 Ų61.156%0.5631%0.31SS*.THydrogen-bonded Turntrans-92.36.6176.3-59-48.8000114.5V81V81-H83 PolarHBondContact O-N 2.84Å
84F94Very high94.8Very high32 Ų3259 Ų5914%0.1430%0.301CS..SBendtrans-121.1144.1179.3-66.4-92000110.3V81 E88 L89 H104 R116 F118V81-F84 HydrophobicContact CB-CD2 4.3Å; V81-F84 PolarHBondContact O-N 3.1Å; F84-E88 WeakPolarHBondContact CA-OE2 3.39Å; F84-E88 HydrophobicContact CD1-CB 4.37Å; F84-L89 HydrophobicContact CB-CD1 4.4Å; F84-L89 HydrophobicContact CB-CD2 3.83Å; F84-L89 HydrophobicContact CB-CG 4.09Å; F84-L89 HydrophobicContact CD1-CD2 4.41Å; F84-L89 HydrophobicContact CG-CD2 4.07Å; F84-H104 HydrophobicContact CD1-CB 3.96Å; F84-H104 HydrophobicContact CE1-CB 3.83Å; F84-R116 HydrophobicContact CE1-CB 4.09Å; F84-R116 HydrophobicContact CZ-CB 3.69Å; F84-F118 HydrophobicContact CD1-CE1 4.44Å; F84-F118 HydrophobicContact CD2-CD1 4.33Å; F84-F118 AromaticContact CD2-CE1 3.93Å; F84-F118 HydrophobicContact CD2-CE1 3.93Å; F84-F118 HydrophobicContact CE1-CD1 4.04Å; F84-F118 HydrophobicContact CE1-CE1 4.21Å; F84-F118 AromaticContact CE2-CD1 3.62Å; F84-F118 HydrophobicContact CE2-CD1 3.62Å; F84-F118 AromaticContact CE2-CE1 3.69Å; F84-F118 HydrophobicContact CE2-CE1 3.69Å; F84-F118 HydrophobicContact CG-CE1 4.31Å; F84-F118 AromaticContact CZ-CD1 3.46Å; F84-F118 HydrophobicContact CZ-CD1 3.46Å; F84-F118 VanDerWaalsContact CZ-CD1 3.46Å; F84-F118 AromaticContact CZ-CE1 3.85Å; F84-F118 HydrophobicContact CZ-CE1 3.85Å
85K93.7Very high94.7Very high110 Ų11061.5 Ų61.548%0.47832%0.317SS..  trans-79.2157.6168.6-61176-175.4162.20110.4E87 E88K85-E87 VanDerWaalsContact CB-OE2 3.32Å; K85-E87 WeakPolarHBondContact CB-OE2 3.42Å; K85-E87 PolarHBondContact O-N 3.14Å; K85-E88 HydrophobicContact CB-CG 4.04Å; K85-E88 PolarHBondContact N-OE2 3.02Å; K85-E88 WeakPolarHBondContact O-CB 3.24Å; K85-E88 PolarHBondContact O-N 3.03Å
86P95.9Very high94.5Very high81 Ų8167.6 Ų67.653%0.52635%0.35SS..G310 helixtrans-56.6-35.4176.5-21.331.3000113.1E88 L89 L137P86-E88 PolarHBondContact O-N 2.73Å; P86-L89 PolarHBondContact O-N 2.94Å; P86-L137 HydrophobicContact CB-CD2 4.03Å; P86-L137 HydrophobicContact CG-CD2 3.79Å
87E96.3Very high94.4Very high158 Ų15869.4 Ų69.474%0.73836%0.356SS*.G310 helixtrans-75.2-13.7-178.8-48.178.1-152.400113.2K85 L89K85-E87 VanDerWaalsContact CB-OE2 3.32Å; K85-E87 WeakPolarHBondContact CB-OE2 3.42Å; K85-E87 PolarHBondContact O-N 3.14Å; E87-L89 VanDerWaalsContact C-N 3.34Å
88E95.7Very high94.3Very high33 Ų3369.4 Ų69.415%0.15436%0.356CS..G310 helixtrans-90.2-2.5179-66.8171.6173.200112.1F84 K85 P86 G102 M103 H104F84-E88 WeakPolarHBondContact CA-OE2 3.39Å; F84-E88 HydrophobicContact CD1-CB 4.37Å; K85-E88 HydrophobicContact CB-CG 4.04Å; K85-E88 PolarHBondContact N-OE2 3.02Å; K85-E88 WeakPolarHBondContact O-CB 3.24Å; K85-E88 PolarHBondContact O-N 3.03Å; P86-E88 PolarHBondContact O-N 2.73Å; E88-G102 CarbonylContact O-C 3.52Å; E88-G102 VanDerWaalsContact O-CA 3.31Å; E88-G102 WeakPolarHBondContact O-CA 3.43Å; E88-M103 VanDerWaalsContact CB-O 3.31Å; E88-M103 WeakPolarHBondContact CB-O 3.2Å; E88-M103 WeakPolarHBondContact CG-O 3.33Å; E88-M103 PolarHBondContact O-N 3.17Å; E88-H104 IonicContact OE1-CE1 3.59Å; E88-H104 IonicContact OE1-CG 3.9Å; E88-H104 IonicContact OE1-ND1 2.92Å; E88-H104 PolarHBondContact OE1-ND1 2.94Å; E88-H104 IonicContact OE2-CG 3.7Å; E88-H104 IonicContact OE2-ND1 2.92Å; E88-H104 PolarHBondContact OE2-ND1 2.81Å
89L97Very high94.2Very high31 Ų3172 Ų7216%0.16237%0.367CS..EExtended strand (participates in β ladder)trans-110.1132.3-175.5-62.9171.1000111V81 F84 P86 E87 H101 F118 L137V81-L89 HydrophobicContact CB-CD1 4.24Å; V81-L89 HydrophobicContact CB-CD2 4.36Å; V81-L89 HydrophobicContact CG1-CD2 4.27Å; V81-L89 HydrophobicContact CG2-CD1 3.84Å; F84-L89 HydrophobicContact CB-CD1 4.4Å; F84-L89 HydrophobicContact CB-CD2 3.83Å; F84-L89 HydrophobicContact CB-CG 4.09Å; F84-L89 HydrophobicContact CD1-CD2 4.41Å; F84-L89 HydrophobicContact CG-CD2 4.07Å; P86-L89 PolarHBondContact O-N 2.94Å; E87-L89 VanDerWaalsContact C-N 3.34Å; L89-H101 WeakPolarHBondContact CA-O 3.41Å; L89-F118 HydrophobicContact CD2-CE1 3.89Å; L89-F118 HydrophobicContact CD2-CZ 3.9Å; L89-L137 HydrophobicContact CD1-CD2 4.38Å
90E97Very high94.2Very high114 Ų11472 Ų7253%0.53337%0.367SS..EExtended strand (participates in β ladder)trans-126.9135.2176.5-172.3-177.7176.400110.3T92 I100 H101E90-T92 HydrophobicContact CG-CG2 4.1Å; E90-T92 WeakPolarHBondContact OE1-CG2 3.27Å; E90-I100 WeakPolarHBondContact O-CA 3.33Å; E90-H101 HydrophobicContact CB-CB 4.38Å; E90-H101 PolarHBondContact N-O 2.84Å; E90-H101 PolarHBondContact O-N 3Å
91I96.3Very high94.2Very high62 Ų6270.9 Ų70.932%0.31836%0.36SS..EExtended strand (participates in β ladder)trans-123124.2178-57.1164.3000107.9L98 M99 I100 L143 I145I91-L98 HydrophobicContact CG2-CD1 3.54Å; I91-M99 WeakPolarHBondContact CA-O 3.22Å; I91-I100 HydrophobicContact CG1-CG2 4.43Å; I91-L143 HydrophobicContact CD1-CD1 4.23Å; I91-L143 HydrophobicContact CD1-CD2 4.25Å; I91-I145 HydrophobicContact CD1-CD1 3.59Å; I91-I145 HydrophobicContact CD1-CG1 3.84Å; I91-I145 HydrophobicContact CG1-CD1 3.91Å; I91-I145 HydrophobicContact CG2-CD1 4.04Å
92T95.3Very high94.3Very high58 Ų5870.8 Ų70.836%0.35636%0.359SS..EExtended strand (participates in β ladder)trans-132.9152.3179.455.50000111E90 M99E90-T92 HydrophobicContact CG-CG2 4.1Å; E90-T92 WeakPolarHBondContact OE1-CG2 3.27Å; T92-M99 PolarHBondContact N-O 3.3Å; T92-M99 PolarHBondContact O-N 2.83Å; T92-M99 WeakPolarHBondContact OG1-CB 3.35Å
93T93.3Very high94.4Very high57 Ų5772.1 Ų72.135%0.3536%0.357SS..EExtended strand (participates in β ladder)trans-121.6123.8172.455.80000109.5R97 L98 L124 F133T93-R97 CarbonylContact C-O 3.55Å; T93-R97 VanDerWaalsContact CA-O 3.22Å; T93-R97 WeakPolarHBondContact CA-O 3.3Å; T93-L98 HydrophobicContact CG2-CD1 3.95Å; T93-L124 HydrophobicContact CG2-CD1 4.41Å; T93-F133 HydrophobicContact CG2-CD2 3.89Å; T93-F133 HydrophobicContact CG2-CE2 3.83Å
94K90.5Very high94.4Very high134 Ų13467.3 Ų67.358%0.58334%0.335SS*.EExtended strand (participates in β ladder)trans-151.6141.9-179.1-165.9-170.6173.8-172.90110.3D96 R97K94-D96 VanDerWaalsContact C-N 3.33Å; K94-D96 PolarHBondContact O-N 2.87Å; K94-R97 PolarHBondContact N-O 2.97Å; K94-R97 WeakPolarHBondContact O-CA 3.37Å; K94-R97 WeakPolarHBondContact O-CB 3.41Å; K94-R97 PolarHBondContact O-N 2.81Å
95D89Confident94.5Very high124 Ų12471.9 Ų71.966%0.66336%0.357SS*.THydrogen-bonded Turntrans50.448.4172.5-53.9-36.7000113.2R97D95-R97 PolarHBondContact O-N 3.4Å
96D90Very high94.4Very high133 Ų13372.7 Ų72.771%0.71136%0.362SS*.THydrogen-bonded Turntrans5828.7-175.6-59.9-37.9000114.5K94 L124K94-D96 VanDerWaalsContact C-N 3.33Å; K94-D96 PolarHBondContact O-N 2.87Å; D96-L124 WeakPolarHBondContact O-CB 3.43Å; D96-L124 PolarHBondContact O-N 2.77Å
97R92.6Very high94.1Very high64 Ų6471.8 Ų71.824%0.24235%0.353CS..EExtended strand (participates in β ladder)trans-127142.3176.5-58.6179.7-171.9-156.12.3111.6D17 T93 K94 D95 Y122D17-R97 IonicContact OD1-NH2 3.61Å; D17-R97 IonicContact OD2-CZ 3.9Å; D17-R97 IonicContact OD2-NH2 2.73Å; D17-R97 PolarHBondContact OD2-NH2 3.17Å; T93-R97 CarbonylContact C-O 3.55Å; T93-R97 VanDerWaalsContact CA-O 3.22Å; T93-R97 WeakPolarHBondContact CA-O 3.3Å; K94-R97 PolarHBondContact N-O 2.97Å; K94-R97 WeakPolarHBondContact O-CA 3.37Å; K94-R97 WeakPolarHBondContact O-CB 3.41Å; K94-R97 PolarHBondContact O-N 2.81Å; D95-R97 PolarHBondContact O-N 3.4Å; R97-Y122 CarbonylContact C-O 3.6Å; R97-Y122 WeakPolarHBondContact CA-O 3.05Å
98L94.4Very high93.8Very high0 Ų072 Ų720%035%0.351CS..EExtended strand (participates in β ladder)trans-92.5119.3162.5172.569.1000108.1F75 V77 I91 T93 I100 A121 Y122 L124 F133 I145F75-L98 HydrophobicContact CE1-CD2 4Å; V77-L98 HydrophobicContact CG2-CD2 4.25Å; I91-L98 HydrophobicContact CG2-CD1 3.54Å; T93-L98 HydrophobicContact CG2-CD1 3.95Å; L98-I100 HydrophobicContact CD2-CD1 4.42Å; L98-I100 HydrophobicContact CG-CG1 4.32Å; L98-A121 CarbonylContact O-C 3.56Å; L98-A121 WeakPolarHBondContact O-CA 2.9Å; L98-Y122 HydrophobicContact CD2-CD2 4.49Å; L98-Y122 PolarHBondContact N-O 2.82Å; L98-Y122 PolarHBondContact O-N 2.81Å; L98-L124 HydrophobicContact CB-CD2 3.74Å; L98-L124 HydrophobicContact CB-CG 4.35Å; L98-F133 HydrophobicContact CD2-CE1 4.31Å; L98-I145 HydrophobicContact CD1-CG2 4.28Å; L98-I145 HydrophobicContact CD2-CB 4.42Å; L98-I145 HydrophobicContact CD2-CD1 4.36Å; L98-I145 HydrophobicContact CD2-CG2 3.86Å
99M95Very high93.2Very high68 Ų6873.5 Ų73.534%0.33536%0.36SS..EExtended strand (participates in β ladder)trans-109.8132.3177.2-66.1179.863.700109.5I91 T92 T119 R120 A121I91-M99 WeakPolarHBondContact CA-O 3.22Å; T92-M99 PolarHBondContact N-O 3.3Å; T92-M99 PolarHBondContact O-N 2.83Å; T92-M99 WeakPolarHBondContact OG1-CB 3.35Å; M99-T119 HydrophobicContact CE-CG2 4.47Å; M99-R120 CarbonylContact C-O 3.47Å; M99-R120 WeakPolarHBondContact CA-O 3.41Å; M99-A121 HydrophobicContact CG-CB 4.36Å
100I95.6Very high92.7Very high0 Ų079.7 Ų79.70%039%0.394CS..EExtended strand (participates in β ladder)trans-124.9118.8177.9-52.8163.1000106.4V77 L79 E90 I91 L98 F118 T119 R120 Y122 L143 I145V77-I100 HydrophobicContact CG1-CD1 4.36Å; L79-I100 HydrophobicContact CD1-CB 4.45Å; L79-I100 HydrophobicContact CD1-CD1 3.56Å; L79-I100 HydrophobicContact CD1-CG2 4.12Å; L79-I100 HydrophobicContact CG-CD1 4.35Å; E90-I100 WeakPolarHBondContact O-CA 3.33Å; I91-I100 HydrophobicContact CG1-CG2 4.43Å; L98-I100 HydrophobicContact CD2-CD1 4.42Å; L98-I100 HydrophobicContact CG-CG1 4.32Å; I100-F118 HydrophobicContact CB-CE2 4.35Å; I100-F118 HydrophobicContact CG2-CE2 3.79Å; I100-F118 HydrophobicContact CG2-CZ 4.05Å; I100-T119 CarbonylContact O-C 3.55Å; I100-T119 WeakPolarHBondContact O-CA 3.32Å; I100-R120 PolarHBondContact N-O 2.82Å; I100-R120 PolarHBondContact O-N 2.94Å; I100-Y122 HydrophobicContact CD1-CD2 4.27Å; I100-Y122 HydrophobicContact CD1-CE2 3.91Å; I100-L143 HydrophobicContact CG2-CD2 4.1Å; I100-I145 HydrophobicContact CD1-CD1 3.36Å; I100-I145 HydrophobicContact CG1-CD1 3.66Å
101H95.9Very high92.2Very high50 Ų5082.8 Ų82.823%0.23141%0.408CS..EExtended strand (participates in β ladder)trans-114.9135.6179-173.965.7000108.8L89 E90 E117 F118 T119L89-H101 WeakPolarHBondContact CA-O 3.41Å; E90-H101 HydrophobicContact CB-CB 4.38Å; E90-H101 PolarHBondContact N-O 2.84Å; E90-H101 PolarHBondContact O-N 3Å; H101-E117 IonicContact CE1-OE1 3.38Å; H101-E117 PolarHBondContact CE1-OE1 3Å; H101-F118 WeakPolarHBondContact CA-O 3.23Å; H101-F118 PolarHBondContact ND1-O 3.37Å; H101-T119 PolarHBondContact ND1-OG1 2.79Å
102G96.1Very high91.9Very high0 Ų081.1 Ų81.10%041%0.406CS..EExtended strand (participates in β ladder)trans-131.6126.917300000109.4E88 E117 F118E88-G102 CarbonylContact O-C 3.52Å; E88-G102 VanDerWaalsContact O-CA 3.31Å; E88-G102 WeakPolarHBondContact O-CA 3.43Å; G102-E117 CarbonylContact O-C 3.44Å; G102-E117 WeakPolarHBondContact O-CA 3.33Å; G102-F118 PolarHBondContact N-O 2.82Å; G102-F118 PolarHBondContact O-N 2.7Å
103M96Very high91.8Very high84 Ų8485.8 Ų85.841%0.41442%0.418SS..EExtended strand (participates in β ladder)trans-132.3104.7-176.9-172.8-17771.200110.4E88 E117E88-M103 VanDerWaalsContact CB-O 3.31Å; E88-M103 WeakPolarHBondContact CB-O 3.2Å; E88-M103 WeakPolarHBondContact CG-O 3.33Å; E88-M103 PolarHBondContact O-N 3.17Å; M103-E117 HydrophobicContact CG-CG 4.47Å
104H93.8Very high91.7Very high20 Ų2084.6 Ų84.69%0.09341%0.411CS..EExtended strand (participates in β ladder)trans-98.7111.8171.7-174.779.7000108.9F84 E88 N107 V114 K115 R116F84-H104 HydrophobicContact CD1-CB 3.96Å; F84-H104 HydrophobicContact CE1-CB 3.83Å; E88-H104 IonicContact OE1-CE1 3.59Å; E88-H104 IonicContact OE1-CG 3.9Å; E88-H104 IonicContact OE1-ND1 2.92Å; E88-H104 PolarHBondContact OE1-ND1 2.94Å; E88-H104 IonicContact OE2-CG 3.7Å; E88-H104 IonicContact OE2-ND1 2.92Å; E88-H104 PolarHBondContact OE2-ND1 2.81Å; H104-N107 PolarHBondContact CE1-ND2 3.25Å; H104-N107 PolarHBondContact NE2-ND2 2.88Å; H104-V114 PolarHBondContact CD2-O 3.29Å; H104-K115 WeakPolarHBondContact O-CG 3.21Å; H104-R116 WeakPolarHBondContact CA-O 3.42Å; H104-R116 HydrophobicContact CB-CB 4.1Å; H104-R116 PolarHBondContact N-O 2.86Å; H104-R116 PolarHBondContact O-N 3.14Å; H104-R116 VanDerWaalsContact O-O 3.09Å
105E94.1Very high91.8Very high129 Ų12984.6 Ų84.660%0.60341%0.411SS*.EExtended strand (participates in β ladder)trans-61.9162.3174.2-65-17116600111.6N107E105-N107 PolarHBondContact O-N 2.82Å; E105-N107 PolarHBondContact O-ND2 3.21Å; E105-N107 VanDerWaalsContact O-ND2 3.12Å
106E93.6Very high92Very high126 Ų12683 Ų8359%0.58940%0.395SS*.EExtended strand (participates in β ladder)trans-64.8110.5179.9-173.4172.3-10100110.5Y113 V114 K115E106-Y113 HydrophobicContact CG-CD1 4.1Å; E106-Y113 HydrophobicContact CG-CG 4.34Å; E106-V114 WeakPolarHBondContact CA-O 3.46Å; E106-K115 HydrophobicContact CB-CB 4.09Å
107N88.9Confident92.2Very high63 Ų6382.3 Ų82.334%0.33739%0.388SS..EExtended strand (participates in β ladder)trans-119.9149.1178.1-70.8-58.4000110.6H104 E105 Y113 V114H104-N107 PolarHBondContact CE1-ND2 3.25Å; H104-N107 PolarHBondContact NE2-ND2 2.88Å; E105-N107 PolarHBondContact O-N 2.82Å; E105-N107 PolarHBondContact O-ND2 3.21Å; E105-N107 VanDerWaalsContact O-ND2 3.12Å; N107-Y113 CarbonylContact O-C 3.54Å; N107-Y113 WeakPolarHBondContact O-CA 3.4Å; N107-V114 PolarHBondContact N-O 2.77Å; N107-V114 PolarHBondContact O-N 2.8Å
108K89.3Confident92.3Very high162 Ų16280.8 Ų80.870%0.70438%0.383SS*.EExtended strand (participates in β ladder)trans-77.1127.3175-171.2179.4178.4-1770110G112 Y113K108-G112 CarbonylContact C-O 3.58Å; K108-G112 VanDerWaalsContact CA-O 3.29Å; K108-G112 WeakPolarHBondContact CA-O 3.45Å; K108-G112 WeakPolarHBondContact CG-O 3.22Å; K108-Y113 HydrophobicContact CB-CD1 4.25Å; K108-Y113 HydrophobicContact CB-CE1 4.11Å; K108-Y113 HydrophobicContact CG-CE1 4.5Å
109D83.8Confident92.3Very high65 Ų6583.2 Ų83.235%0.34840%0.398SS..EExtended strand (participates in β ladder)trans-113.1-174.1167.973.95.8000110.8H111 G112 V114D109-H111 PolarHBondContact O-N 3.28Å; D109-H111 VanDerWaalsContact O-N 3.13Å; D109-H111 WeakPolarHBondContact OD1-CA 3.38Å; D109-H111 PolarHBondContact OD1-N 3.11Å; D109-G112 PolarHBondContact N-O 2Å; D109-G112 PolarHBondContact OD1-N 2.95Å; D109-V114 WeakPolarHBondContact OD2-CG2 3.29Å
110D86.5Confident92.2Very high160 Ų16082.1 Ų82.186%0.85639%0.39SS*.THydrogen-bonded Turntrans-63.4-15.9-179.1-66.2-32.9000113.6
111H85.9Confident92.1Very high179 Ų17984.5 Ų84.583%0.82941%0.41SS*.THydrogen-bonded Turntrans-120.3-1.7-171.3-61.2-52.8000114.2D109D109-H111 PolarHBondContact O-N 3.28Å; D109-H111 VanDerWaalsContact O-N 3.13Å; D109-H111 WeakPolarHBondContact OD1-CA 3.38Å; D109-H111 PolarHBondContact OD1-N 3.11Å
112G91.4Very high92Very high28 Ų2883.1 Ų83.129%0.28940%0.403SS..EExtended strand (participates in β ladder)trans149.2-135.8177.700000111.9K108 D109K108-G112 CarbonylContact C-O 3.58Å; K108-G112 VanDerWaalsContact CA-O 3.29Å; K108-G112 WeakPolarHBondContact CA-O 3.45Å; K108-G112 WeakPolarHBondContact CG-O 3.22Å; D109-G112 PolarHBondContact N-O 2Å; D109-G112 PolarHBondContact OD1-N 2.95Å
113Y91.9Very high91.8Very high155 Ų15585.5 Ų85.561%0.60842%0.419SS*.EExtended strand (participates in β ladder)trans-116.9137.4177.6-66.7-91.4000108.9E106 N107 K108E106-Y113 HydrophobicContact CG-CD1 4.1Å; E106-Y113 HydrophobicContact CG-CG 4.34Å; N107-Y113 CarbonylContact O-C 3.54Å; N107-Y113 WeakPolarHBondContact O-CA 3.4Å; K108-Y113 HydrophobicContact CB-CD1 4.25Å; K108-Y113 HydrophobicContact CB-CE1 4.11Å; K108-Y113 HydrophobicContact CG-CE1 4.5Å
114V90.7Very high91.6Very high32 Ų3283 Ų8319%0.19441%0.407CS..EExtended strand (participates in β ladder)trans-130.5128.2178.9-174.60000110.8H104 E106 N107 D109 R116H104-V114 PolarHBondContact CD2-O 3.29Å; E106-V114 WeakPolarHBondContact CA-O 3.46Å; N107-V114 PolarHBondContact N-O 2.77Å; N107-V114 PolarHBondContact O-N 2.8Å; D109-V114 WeakPolarHBondContact OD2-CG2 3.29Å; V114-R116 HydrophobicContact CG1-CG 3.95Å
115K93.7Very high91.3Very high134 Ų13483.3 Ų83.358%0.58341%0.411SS*.EExtended strand (participates in β ladder)trans-121.3136.2169.9-174.8179.91781760108.3H104 E106H104-K115 WeakPolarHBondContact O-CG 3.21Å; E106-K115 HydrophobicContact CB-CB 4.09Å
116R92.7Very high91Very high90 Ų9087 Ų8734%0.3443%0.425SS..EExtended strand (participates in β ladder)trans-137.4143.1177.2-58.8-177.3179.290.9-1110.1F84 H104 V114F84-R116 HydrophobicContact CE1-CB 4.09Å; F84-R116 HydrophobicContact CZ-CB 3.69Å; H104-R116 WeakPolarHBondContact CA-O 3.42Å; H104-R116 HydrophobicContact CB-CB 4.1Å; H104-R116 PolarHBondContact N-O 2.86Å; H104-R116 PolarHBondContact O-N 3.14Å; H104-R116 VanDerWaalsContact O-O 3.09Å; V114-R116 HydrophobicContact CG1-CG 3.95Å
117E95.4Very high90.5Very high119 Ų11983.1 Ų83.156%0.55642%0.419SS*.EExtended strand (participates in β ladder)trans-145.7139.6174.2-169.3-176.9153.200108.6H101 G102 M103H101-E117 IonicContact CE1-OE1 3.38Å; H101-E117 PolarHBondContact CE1-OE1 3Å; G102-E117 CarbonylContact O-C 3.44Å; G102-E117 WeakPolarHBondContact O-CA 3.33Å; M103-E117 HydrophobicContact CG-CG 4.47Å
118F94.6Very high90.5Very high33 Ų3381.3 Ų81.315%0.14541%0.409CS..EExtended strand (participates in β ladder)trans-140.9151.7169.877.3-92.5000111.3L79 V81 F84 L89 I100 H101 G102 R120L79-F118 HydrophobicContact CD1-CE2 4.37Å; V81-F118 HydrophobicContact CG1-CE1 4.13Å; V81-F118 HydrophobicContact CG1-CZ 3.89Å; F84-F118 HydrophobicContact CD1-CE1 4.44Å; F84-F118 HydrophobicContact CD2-CD1 4.33Å; F84-F118 AromaticContact CD2-CE1 3.93Å; F84-F118 HydrophobicContact CD2-CE1 3.93Å; F84-F118 HydrophobicContact CE1-CD1 4.04Å; F84-F118 HydrophobicContact CE1-CE1 4.21Å; F84-F118 AromaticContact CE2-CD1 3.62Å; F84-F118 HydrophobicContact CE2-CD1 3.62Å; F84-F118 AromaticContact CE2-CE1 3.69Å; F84-F118 HydrophobicContact CE2-CE1 3.69Å; F84-F118 HydrophobicContact CG-CE1 4.31Å; F84-F118 AromaticContact CZ-CD1 3.46Å; F84-F118 HydrophobicContact CZ-CD1 3.46Å; F84-F118 VanDerWaalsContact CZ-CD1 3.46Å; F84-F118 AromaticContact CZ-CE1 3.85Å; F84-F118 HydrophobicContact CZ-CE1 3.85Å; L89-F118 HydrophobicContact CD2-CE1 3.89Å; L89-F118 HydrophobicContact CD2-CZ 3.9Å; I100-F118 HydrophobicContact CB-CE2 4.35Å; I100-F118 HydrophobicContact CG2-CE2 3.79Å; I100-F118 HydrophobicContact CG2-CZ 4.05Å; H101-F118 WeakPolarHBondContact CA-O 3.23Å; H101-F118 PolarHBondContact ND1-O 3.37Å; G102-F118 PolarHBondContact N-O 2.82Å; G102-F118 PolarHBondContact O-N 2.7Å; F118-R120 HydrophobicContact CD2-CG 4.1Å
119T93.8Very high90.2Very high51 Ų5175.9 Ų75.931%0.31339%0.391SS..EExtended strand (participates in β ladder)trans-133.4127.2166.1-59.50000108.5N10 M99 I100 H101N10-T119 PolarHBondContact ND2-O 2.9Å; M99-T119 HydrophobicContact CE-CG2 4.47Å; I100-T119 CarbonylContact O-C 3.55Å; I100-T119 WeakPolarHBondContact O-CA 3.32Å; H101-T119 PolarHBondContact ND1-OG1 2.79Å
120R92.5Very high90.2Very high44 Ų4476.7 Ų76.717%0.16640%0.4CS..EExtended strand (participates in β ladder)trans-122137.1173.7-72.1-176.3178.6160.82.5110.1G64 V65 M99 I100 F118 Y122G64-R120 PolarHBondContact O-NH1 2.82Å; V65-R120 VanDerWaalsContact N-NH1 3.2Å; M99-R120 CarbonylContact C-O 3.47Å; M99-R120 WeakPolarHBondContact CA-O 3.41Å; I100-R120 PolarHBondContact N-O 2.82Å; I100-R120 PolarHBondContact O-N 2.94Å; F118-R120 HydrophobicContact CD2-CG 4.1Å; R120-Y122 HydrophobicContact CB-CE2 3.95Å
121A93.5Very high90.2Very high50 Ų5077.9 Ų77.941%0.41340%0.401SS..EExtended strand (participates in β ladder)trans-124.9132.7176.700000109.2L98 M99L98-A121 CarbonylContact O-C 3.56Å; L98-A121 WeakPolarHBondContact O-CA 2.9Å; M99-A121 HydrophobicContact CG-CB 4.36Å
122Y93.6Very high90.3Very high21 Ų2170.8 Ų70.88%0.08237%0.371CS..EExtended strand (participates in β ladder)trans-121.6133.3175.5-62.5-85.1000109.2V65 V68 V77 L79 R97 L98 I100 R120V65-Y122 VanDerWaalsContact CG2-OH 3.29Å; V65-Y122 WeakPolarHBondContact CG2-OH 3.43Å; V68-Y122 HydrophobicContact CG2-CD1 4.32Å; V68-Y122 HydrophobicContact CG2-CE1 3.72Å; V77-Y122 HydrophobicContact CG1-CD2 4.28Å; V77-Y122 HydrophobicContact CG1-CE1 4.31Å; V77-Y122 HydrophobicContact CG1-CE2 3.68Å; V77-Y122 HydrophobicContact CG2-CD1 4.25Å; V77-Y122 HydrophobicContact CG2-CD2 4.14Å; V77-Y122 HydrophobicContact CG2-CE1 4.43Å; V77-Y122 HydrophobicContact CG2-CE2 4.33Å; V77-Y122 HydrophobicContact CG2-CG 4.1Å; L79-Y122 WeakPolarHBondContact CD2-OH 3.32Å; R97-Y122 CarbonylContact C-O 3.6Å; R97-Y122 WeakPolarHBondContact CA-O 3.05Å; L98-Y122 HydrophobicContact CD2-CD2 4.49Å; L98-Y122 PolarHBondContact N-O 2.82Å; L98-Y122 PolarHBondContact O-N 2.81Å; I100-Y122 HydrophobicContact CD1-CD2 4.27Å; I100-Y122 HydrophobicContact CD1-CE2 3.91Å; R120-Y122 HydrophobicContact CB-CE2 3.95Å
123C91.7Very high90.5Very high51 Ų5171.3 Ų71.335%0.34537%0.365SS..EExtended strand (participates in β ladder)trans-76.8129.4173.3-74.70000110.9C15C15-C123 HydrophobicContact CB-CB 4.15Å; C15-C123 WeakPolarHBondContact CB-SG 3.44Å; C15-C123 WeakPolarHBondContact SG-CB 3.42Å; C15-C123 CovalentContact SG-SG 2Å; C15-C123 PolarHBondContact SG-SG 2.85Å
124L91.4Very high90.6Very high30 Ų3071 Ų7116%0.15737%0.367CS..PPolyproline II helixtrans-80132.6-177.3-64.6-178.1000109.7F75 T93 D96 L98 F133F75-L124 HydrophobicContact CD1-CD2 4.1Å; F75-L124 HydrophobicContact CE1-CD2 3.69Å; F75-L124 HydrophobicContact CZ-CD2 4.19Å; T93-L124 HydrophobicContact CG2-CD1 4.41Å; D96-L124 WeakPolarHBondContact O-CB 3.43Å; D96-L124 PolarHBondContact O-N 2.77Å; L98-L124 HydrophobicContact CB-CD2 3.74Å; L98-L124 HydrophobicContact CB-CG 4.35Å; L124-F133 HydrophobicContact CD1-CE2 3.99Å; L124-F133 HydrophobicContact CD1-CZ 4.04Å; L124-F133 HydrophobicContact CD2-CE1 4.41Å; L124-F133 HydrophobicContact CD2-CE2 4.35Å; L124-F133 HydrophobicContact CD2-CZ 3.56Å; L124-F133 HydrophobicContact CG-CZ 4.45Å
125P89.3Confident90.9Very high27 Ų2773.3 Ų73.318%0.17539%0.385CS..PPolyproline II helixtrans-64.7153.8169.330.7-37.8000110.1N70 F75 I128N70-P125 WeakPolarHBondContact OD1-CG 3.33Å; F75-P125 HydrophobicContact CB-CG 4.22Å; F75-P125 HydrophobicContact CD2-CG 4.1Å; F75-P125 HydrophobicContact CG-CG 4.32Å; P125-I128 HydrophobicContact CG-CD1 3.37Å; P125-I128 HydrophobicContact CG-CG1 4.01Å
126K86.2Confident91Very high208 Ų20871.9 Ų71.990%0.90438%0.383SS*.THydrogen-bonded Turntrans-60.2142.7175.9-63.1-178.1179.2-179.30110.8
127G84.2Confident91.2Very high44 Ų4470.6 Ų70.645%0.45438%0.383SS..THydrogen-bonded Turntrans87.214.4175.200000114.9V150G127-V150 WeakPolarHBondContact O-CB 3.35Å; G127-V150 PolarHBondContact O-N 2.88Å
128I87.6Confident91.3Very high25 Ų2566.6 Ų66.613%0.12837%0.368CS..BIsolated β-bridgetrans-92.9126.9166.2-65.3-176.4000108.8F75 P125 F133 A147 K149F75-I128 HydrophobicContact CB-CD1 3.34Å; F75-I128 HydrophobicContact CD1-CD1 4.12Å; F75-I128 HydrophobicContact CG-CD1 3.84Å; P125-I128 HydrophobicContact CG-CD1 3.37Å; P125-I128 HydrophobicContact CG-CG1 4.01Å; I128-F133 HydrophobicContact CG2-CD2 4.39Å; I128-F133 HydrophobicContact CG2-CE2 3.55Å; I128-F133 HydrophobicContact CG2-CZ 3.72Å; I128-A147 HydrophobicContact CD1-CB 4.37Å; I128-A147 HydrophobicContact CG2-CB 3.71Å; I128-K149 HydrophobicContact CD1-CG 4.38Å; I128-K149 HydrophobicContact CG1-CG 3.99Å
129S84.2Confident91.3Very high47 Ų4774.2 Ų74.233%0.32941%0.409SS..  trans-83.4135.8167.257.90000109.6E131 S132S129-E131 PolarHBondContact O-N 2.94Å; S129-E131 VanDerWaalsContact O-N 3.17Å; S129-S132 WeakPolarHBondContact O-CB 3.22Å; S129-S132 PolarHBondContact O-N 3.21Å; S129-S132 PolarHBondContact O-OG 3.26Å; S129-S132 WeakPolarHBondContact OG-CB 3.32Å; S129-S132 PolarHBondContact OG-OG 2.73Å
130P84.1Confident91.3Very high83 Ų8376.8 Ų76.854%0.53942%0.421SS..G310 helixtrans-60.5-27179.223.9-33.6000112.5S132 F133P130-S132 VanDerWaalsContact C-N 3.27Å; P130-S132 PolarHBondContact O-N 2.83Å; P130-F133 WeakPolarHBondContact O-CD2 3.38Å
131E85.8Confident91.4Very high185 Ų18575.2 Ų75.286%0.86442%0.419SS*.G310 helixtrans-74-15176.8-60.6178.8179.200113.6S129 F133S129-E131 PolarHBondContact O-N 2.94Å; S129-E131 VanDerWaalsContact O-N 3.17Å; E131-F133 VanDerWaalsContact C-N 3.3Å
132S88.6Confident91.5Very high29 Ų2974.7 Ų74.720%0.20341%0.409CS..G310 helixtrans-81.5-8.2-179.969.10000114S129 P130S129-S132 WeakPolarHBondContact O-CB 3.22Å; S129-S132 PolarHBondContact O-N 3.21Å; S129-S132 PolarHBondContact O-OG 3.26Å; S129-S132 WeakPolarHBondContact OG-CB 3.32Å; S129-S132 PolarHBondContact OG-OG 2.73Å; P130-S132 VanDerWaalsContact C-N 3.27Å; P130-S132 PolarHBondContact O-N 2.83Å
133F94.1Very high91.7Very high39 Ų3974 Ų7417%0.17141%0.407CS..  trans-67.7137.1-179.8-81.1-76.2000112F75 T93 L98 L124 I128 P130 E131 I145 E146 A147F75-F133 HydrophobicContact CD1-CE1 4.04Å; F75-F133 HydrophobicContact CD1-CZ 4.33Å; F75-F133 HydrophobicContact CE1-CE1 4.36Å; T93-F133 HydrophobicContact CG2-CD2 3.89Å; T93-F133 HydrophobicContact CG2-CE2 3.83Å; L98-F133 HydrophobicContact CD2-CE1 4.31Å; L124-F133 HydrophobicContact CD1-CE2 3.99Å; L124-F133 HydrophobicContact CD1-CZ 4.04Å; L124-F133 HydrophobicContact CD2-CE1 4.41Å; L124-F133 HydrophobicContact CD2-CE2 4.35Å; L124-F133 HydrophobicContact CD2-CZ 3.56Å; L124-F133 HydrophobicContact CG-CZ 4.45Å; I128-F133 HydrophobicContact CG2-CD2 4.39Å; I128-F133 HydrophobicContact CG2-CE2 3.55Å; I128-F133 HydrophobicContact CG2-CZ 3.72Å; P130-F133 WeakPolarHBondContact O-CD2 3.38Å; E131-F133 VanDerWaalsContact C-N 3.3Å; F133-I145 HydrophobicContact CD1-CG2 3.69Å; F133-I145 HydrophobicContact CE1-CG2 4.19Å; F133-E146 CarbonylContact C-O 3.54Å; F133-E146 WeakPolarHBondContact CA-O 3.1Å; F133-A147 HydrophobicContact CD1-CB 3.55Å; F133-A147 HydrophobicContact CD2-CB 4.25Å; F133-A147 HydrophobicContact CE1-CB 3.46Å; F133-A147 VanDerWaalsContact CE1-CB 3.46Å; F133-A147 HydrophobicContact CE2-CB 4.17Å; F133-A147 HydrophobicContact CG-CB 3.94Å; F133-A147 HydrophobicContact CZ-CB 3.76Å
134K95.5Very high91.9Very high150 Ų15073.2 Ų73.265%0.65240%0.4SS*.EExtended strand (participates in β ladder)trans-129139.5169.8-64-177.6-178.8179.50108.7I145 E146K134-I145 CarbonylContact O-C 3.52Å; K134-I145 WeakPolarHBondContact O-CA 3.36Å; K134-E146 HydrophobicContact CB-CG 4.37Å; K134-E146 PolarHBondContact N-O 3.34Å; K134-E146 PolarHBondContact O-N 3.23Å
135S95.9Very high92.2Very high80 Ų8071.9 Ų71.956%0.55939%0.393SS*.EExtended strand (participates in β ladder)trans-117.7147.6174.558.50000110.7T144S135-T144 CarbonylContact C-O 3.51Å; S135-T144 VanDerWaalsContact CA-O 3.3Å; S135-T144 WeakPolarHBondContact CA-O 3.32Å
136N96.9Very high92.5Very high104 Ų10474.5 Ų74.556%0.55640%0.403SS*.EExtended strand (participates in β ladder)trans-142132.5173.2-174.4-88.6000109.2T144N136-T144 PolarHBondContact N-O 3.4Å; N136-T144 PolarHBondContact O-N 3.38Å
137L97Very high92.8Very high62 Ų6264.7 Ų64.733%0.32536%0.361SS..EExtended strand (participates in β ladder)trans-111.9116.4173.1179.461.4000108.6V81 P86 L89 L143V81-L137 HydrophobicContact CG2-CD1 3.65Å; P86-L137 HydrophobicContact CB-CD2 4.03Å; P86-L137 HydrophobicContact CG-CD2 3.79Å; L89-L137 HydrophobicContact CD1-CD2 4.38Å; L137-L143 HydrophobicContact CD1-CB 4.2Å
138S96Very high93.1Very high36 Ų3665.5 Ų65.525%0.25236%0.363SS..  trans-80.8161.5179.258.80000112.2N140 G141 L142S138-N140 WeakPolarHBondContact CB-OD1 3.43Å; S138-N140 PolarHBondContact O-N 2.84Å; S138-N140 VanDerWaalsContact O-N 3.17Å; S138-N140 PolarHBondContact OG-OD1 3.06Å; S138-G141 PolarHBondContact O-N 2.92Å; S138-L142 PolarHBondContact N-O 2.88Å; S138-L142 WeakPolarHBondContact OG-CA 3.43Å; S138-L142 VanDerWaalsContact OG-CB 3.24Å; S138-L142 WeakPolarHBondContact OG-CB 3.31Å; S138-L142 PolarHBondContact OG-N 2.8Å; S138-L142 PolarHBondContact OG-O 2.88Å; S138-L142 VanDerWaalsContact OG-O 3.08Å
139L94.9Very high93.2Very high193 Ų19366 Ų66100%1.0136%0.364SS*.THydrogen-bonded Turntrans-61.9-23.4-179.2-66.6172.8000114.2G141L139-G141 VanDerWaalsContact C-N 3.27Å
140N93.5Very high92.7Very high104 Ų10467.9 Ų67.956%0.55637%0.374SS*.THydrogen-bonded Turntrans-88.111174.864.3-24.1000113.1S138 L142S138-N140 WeakPolarHBondContact CB-OD1 3.43Å; S138-N140 PolarHBondContact O-N 2.84Å; S138-N140 VanDerWaalsContact O-N 3.17Å; S138-N140 PolarHBondContact OG-OD1 3.06Å; N140-L142 WeakPolarHBondContact ND2-CD1 3.47Å
141G95Very high91.7Very high11 Ų1166.3 Ų66.311%0.11337%0.373CS..SBendtrans81.122.6174.900000114.8V81 A82 S138 L139V81-G141 CarbonylContact C-O 3.53Å; V81-G141 VanDerWaalsContact CG2-O 3.23Å; V81-G141 WeakPolarHBondContact CG2-O 3.31Å; V81-G141 PolarHBondContact N-O 2.92Å; A82-G141 PolarHBondContact N-O 2.83Å; S138-G141 PolarHBondContact O-N 2.92Å; L139-G141 VanDerWaalsContact C-N 3.27Å
142L96Very high90.2Very high40 Ų4068.2 Ų68.221%0.20937%0.372CS..EExtended strand (participates in β ladder)trans-96.2115.6176.9-49.6-175.6000110.5L66 L79 D80 S138 N140L66-L142 HydrophobicContact CD1-CD1 3.86Å; L66-L142 HydrophobicContact CD1-CD2 3.35Å; L66-L142 HydrophobicContact CD1-CG 4.13Å; L79-L142 CarbonylContact O-C 3.54Å; L79-L142 WeakPolarHBondContact O-CA 3.49Å; D80-L142 HydrophobicContact CB-CD2 4.07Å; S138-L142 PolarHBondContact N-O 2.88Å; S138-L142 WeakPolarHBondContact OG-CA 3.43Å; S138-L142 VanDerWaalsContact OG-CB 3.24Å; S138-L142 WeakPolarHBondContact OG-CB 3.31Å; S138-L142 PolarHBondContact OG-N 2.8Å; S138-L142 PolarHBondContact OG-O 2.88Å; S138-L142 VanDerWaalsContact OG-O 3.08Å; N140-L142 WeakPolarHBondContact ND2-CD1 3.47Å
143L97.3Very high88.4Confident7 Ų774 Ų744%0.03740%0.4CS..EExtended strand (participates in β ladder)trans-87.7115.4173.5177.262.5000109.3T78 L79 V81 I91 I100 L137 I145T78-L143 CarbonylContact C-O 3.52Å; T78-L143 WeakPolarHBondContact CA-O 3.21Å; L79-L143 HydrophobicContact CB-CB 4.49Å; L79-L143 PolarHBondContact N-O 2.93Å; L79-L143 PolarHBondContact O-N 3.21Å; V81-L143 HydrophobicContact CG1-CB 4.36Å; V81-L143 HydrophobicContact CG2-CB 3.67Å; I91-L143 HydrophobicContact CD1-CD1 4.23Å; I91-L143 HydrophobicContact CD1-CD2 4.25Å; I100-L143 HydrophobicContact CG2-CD2 4.1Å; L137-L143 HydrophobicContact CD1-CB 4.2Å; L143-I145 HydrophobicContact CD1-CG1 4.32Å; L143-I145 HydrophobicContact CD2-CD1 4.11Å; L143-I145 HydrophobicContact CD2-CG1 4.5Å; L143-I145 HydrophobicContact CG-CD1 4.27Å; L143-I145 HydrophobicContact CG-CG1 4.14Å
144T96.8Very high86.4Confident33 Ų3379.8 Ų79.820%0.20243%0.427CS..EExtended strand (participates in β ladder)trans-106.8127.4172.3-54.50000109.5Q76 V77 S135 N136Q76-T144 HydrophobicContact CG-CG2 3.86Å; V77-T144 CarbonylContact O-C 3.46Å; V77-T144 WeakPolarHBondContact O-CA 3.41Å; S135-T144 CarbonylContact C-O 3.51Å; S135-T144 VanDerWaalsContact CA-O 3.3Å; S135-T144 WeakPolarHBondContact CA-O 3.32Å; N136-T144 PolarHBondContact N-O 3.4Å; N136-T144 PolarHBondContact O-N 3.38Å
145I96.8Very high84.4Confident2 Ų278.1 Ų78.11%0.0143%0.434CS..EExtended strand (participates in β ladder)trans-121.8123175.4-58.7165.2000107.1Q76 V77 I91 L98 I100 F133 K134 L143Q76-I145 CarbonylContact C-O 3.59Å; Q76-I145 WeakPolarHBondContact CA-O 3.47Å; V77-I145 PolarHBondContact N-O 3.3Å; V77-I145 PolarHBondContact O-N 3.29Å; I91-I145 HydrophobicContact CD1-CD1 3.59Å; I91-I145 HydrophobicContact CD1-CG1 3.84Å; I91-I145 HydrophobicContact CG1-CD1 3.91Å; I91-I145 HydrophobicContact CG2-CD1 4.04Å; L98-I145 HydrophobicContact CD1-CG2 4.28Å; L98-I145 HydrophobicContact CD2-CB 4.42Å; L98-I145 HydrophobicContact CD2-CD1 4.36Å; L98-I145 HydrophobicContact CD2-CG2 3.86Å; I100-I145 HydrophobicContact CD1-CD1 3.36Å; I100-I145 HydrophobicContact CG1-CD1 3.66Å; F133-I145 HydrophobicContact CD1-CG2 3.69Å; F133-I145 HydrophobicContact CE1-CG2 4.19Å; K134-I145 CarbonylContact O-C 3.52Å; K134-I145 WeakPolarHBondContact O-CA 3.36Å; L143-I145 HydrophobicContact CD1-CG1 4.32Å; L143-I145 HydrophobicContact CD2-CD1 4.11Å; L143-I145 HydrophobicContact CD2-CG1 4.5Å; L143-I145 HydrophobicContact CG-CD1 4.27Å; L143-I145 HydrophobicContact CG-CG1 4.14Å
146E95.2Very high82.9Confident82 Ų8278.8 Ų78.838%0.38344%0.435SS..EExtended strand (participates in β ladder)trans-133.3149.1-178.662.3174.5-165.900112.3F75 Q76 F133 K134F75-E146 CarbonylContact O-C 3.53Å; F75-E146 VanDerWaalsContact O-CA 3.27Å; F75-E146 WeakPolarHBondContact O-CA 3.44Å; Q76-E146 HydrophobicContact CB-CB 4.1Å; Q76-E146 HydrophobicContact CG-CB 4.11Å; F133-E146 CarbonylContact C-O 3.54Å; F133-E146 WeakPolarHBondContact CA-O 3.1Å; K134-E146 HydrophobicContact CB-CG 4.37Å; K134-E146 PolarHBondContact N-O 3.34Å; K134-E146 PolarHBondContact O-N 3.23Å
147A94.2Very high81.8Confident3 Ų382.7 Ų82.73%0.02545%0.449CS..EExtended strand (participates in β ladder)trans-140.5141.117200000110.2K74 F75 I128 F133K74-A147 CarbonylContact C-O 3.57Å; K74-A147 VanDerWaalsContact CA-O 3.29Å; K74-A147 WeakPolarHBondContact CA-O 3.44Å; K74-A147 WeakPolarHBondContact CB-O 3.36Å; F75-A147 PolarHBondContact N-O 3.22Å; F75-A147 PolarHBondContact O-N 3.12Å; I128-A147 HydrophobicContact CD1-CB 4.37Å; I128-A147 HydrophobicContact CG2-CB 3.71Å; F133-A147 HydrophobicContact CD1-CB 3.55Å; F133-A147 HydrophobicContact CD2-CB 4.25Å; F133-A147 HydrophobicContact CE1-CB 3.46Å; F133-A147 VanDerWaalsContact CE1-CB 3.46Å; F133-A147 HydrophobicContact CE2-CB 4.17Å; F133-A147 HydrophobicContact CG-CB 3.94Å; F133-A147 HydrophobicContact CZ-CB 3.76Å
148A90.7Very high80.7Confident60 Ų6087 Ų8750%0.49647%0.468SS..EExtended strand (participates in β ladder)trans-76.1133.8170.600000109.3V150A148-V150 PolarHBondContact O-N 3.13Å
149K88Confident80.1Confident37 Ų3794.5 Ų94.516%0.16150%0.496CS..BIsolated β-bridgetrans-74.5130.2167.5-67.3-173.6-175.4171.20107.3N70 D71 K73 I128 G151N70-K149 WeakPolarHBondContact OD1-CE 3.38Å; N70-K149 PolarHBondContact OD1-NZ 2.92Å; D71-K149 WeakPolarHBondContact O-CD 3.17Å; D71-K149 WeakPolarHBondContact O-CE 3.5Å; D71-K149 PolarHBondContact O-NZ 3.08Å; K73-K149 PolarHBondContact O-N 2.51Å; I128-K149 HydrophobicContact CD1-CG 4.38Å; I128-K149 HydrophobicContact CG1-CG 3.99Å; K149-G151 PolarHBondContact O-N 3.17Å
150V75.2Confident79.6Confident86 Ų8692.1 Ų92.152%0.52148%0.483SS..  trans-72.869.6164.7-170.10000106.4G127 A148 R152G127-V150 WeakPolarHBondContact O-CB 3.35Å; G127-V150 PolarHBondContact O-N 2.88Å; A148-V150 PolarHBondContact O-N 3.13Å; V150-R152 PolarHBondContact O-N 2.88Å
151G62.5Low79.2Confident50 Ų5092.2 Ų92.252%0.51549%0.489SS..  trans-57.9122.3169.700000106.3K149 L153K149-G151 PolarHBondContact O-N 3.17Å; G151-L153 PolarHBondContact O-N 2.85Å; G151-L153 VanDerWaalsContact O-N 3.12Å
152R54.4Low78.8Confident224 Ų22499.4 Ų99.485%0.84552%0.523SS*.  trans-6104.3-178.5-65.5-179.6-173.2-175.72110.4V150 H154V150-R152 PolarHBondContact O-N 2.88Å; R152-H154 VanDerWaalsContact C-N 3.29Å; R152-H154 WeakPolarHBondContact O-CA 3.47Å; R152-H154 PolarHBondContact O-N 2.85Å
153L51.4Low78.5Confident151 Ų151106 Ų10679%0.79155%0.553SS**  trans-33.7110156.6-102166.2000104.3G151 S155G151-L153 PolarHBondContact O-N 2.85Å; G151-L153 VanDerWaalsContact O-N 3.12Å; L153-S155 PolarHBondContact O-N 3.43Å
154H51.8Low77.9Confident161 Ų161116.8 Ų116.875%0.74559%0.593SS**  trans-40.9119.5-175.4-47.1-72.7000104.4R152 V156R152-H154 VanDerWaalsContact C-N 3.29Å; R152-H154 WeakPolarHBondContact O-CA 3.47Å; R152-H154 PolarHBondContact O-N 2.85Å; H154-V156 WeakPolarHBondContact O-CG2 3.48Å; H154-V156 PolarHBondContact O-N 2.99Å
155S53.8Low77.1Confident115 Ų115120 Ų12080%0.80462%0.623SS**  trans-62.492.3-179.939.20000104.2L153 E157L153-S155 PolarHBondContact O-N 3.43Å; S155-E157 PolarHBondContact O-N 2.78Å
156V63.6Low76.4Confident94 Ų94130 Ų13057%0.5767%0.666SS**  trans-63.8111.4-176.31760000102H154 H158H154-V156 WeakPolarHBondContact O-CG2 3.48Å; H154-V156 PolarHBondContact O-N 2.99Å; V156-H158 VanDerWaalsContact C-N 3.29Å; V156-H158 PolarHBondContact O-CD2 3.07Å; V156-H158 PolarHBondContact O-N 3.02Å
157E73.4Confident75.2Confident185 Ų185139.2 Ų139.286%0.86471%0.705SS**  trans-62.4101.2175.2-174-179.3174.500106.5S155 K159S155-E157 PolarHBondContact O-N 2.78Å; E157-K159 PolarHBondContact O-N 3.38Å
158H74.7Confident74.2Confident153 Ų153146 Ų14671%0.70874%0.739SS**  trans-85.5108.5174.8-77.7-77.1000107.8V156 I160V156-H158 VanDerWaalsContact C-N 3.29Å; V156-H158 PolarHBondContact O-CD2 3.07Å; V156-H158 PolarHBondContact O-N 3.02Å; H158-I160 PolarHBondContact O-N 3.39Å
159K82.9Confident73.3Confident193 Ų193150.5 Ų150.584%0.83975%0.752SS**  trans-69.9114.4173-170.8174.8-1771780109.3E157 P161E157-K159 PolarHBondContact O-N 3.38Å; K159-P161 WeakPolarHBondContact O-CD 3.29Å
160I84.5Confident72.5Confident144 Ų144156.8 Ų156.874%0.73879%0.785SS**  trans-86.7116.6174.2-56.6173.8000108H158H158-I160 PolarHBondContact O-N 3.39Å
161P85.5Confident72.4Confident106 Ų106161 Ų16169%0.68880%0.8SS**  trans-71.4137.4175.529-32.3000110.6K159K159-P161 WeakPolarHBondContact O-CD 3.29Å
162I86.4Confident73Confident162 Ų162167.9 Ų167.983%0.83182%0.818SS**  trans-99.4113.9172.5-58.6174.4000107.8
163E90.3Very high74.2Confident178 Ų178164.2 Ų164.283%0.83282%0.816SS**PPolyproline II helixtrans-96.5135.8171-64.9-172.4176.900110.4
164R83Confident75.8Confident233 Ų233165.1 Ų165.188%0.87982%0.818SS**PPolyproline II helixtrans-82.3135.6175.2-67-176.6178.8-174.1-0.3109.6K166R164-K166 PolarHBondContact O-N 3.22Å
165A81.4Confident77.7Confident102 Ų102165.5 Ų165.584%0.84382%0.824SS**PPolyproline II helixtrans-60.9133.8171.300000110.6
166K81.5Confident79.7Confident210 Ų210169.7 Ų169.791%0.91383%0.826SS**PPolyproline II helixtrans-74.6132.5170.5-67.5-179.7-178.8175.60108.6R164R164-K166 PolarHBondContact O-N 3.22Å
167K69.2Low81.2Confident276 Ų276176.5 Ų176.5100%1.285%0.849SS**  trans-79.20176.5-171.3178-179.1-178.90110.9

Retrieved 167 of 167 residues in 69.7 ms (Link to these results)