A0A077Z5B3_TRITR Loading...

C2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z5B3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 369 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M40.1Very low30.4Very low246 Ų246151.2 Ų151.2100%1.21284%0.844SS**  0109.40-159.6167.49300106.9
2V25.7Very low30.5Very low130 Ų130153 Ų15379%0.78884%0.844SS**  trans-92.3136.3-172.2173.80000108.8
3K31.3Very low31Very low209 Ų209155.9 Ų155.991%0.90985%0.848SS**  trans-152.6113.1146.8-118178.7-179.1-175.60110.4
4T22.7Very low31.7Very low121 Ų121157.4 Ų157.474%0.74284%0.842SS**  trans-105.8142.7170.7-57.30000107.4
5E30.2Very low32.4Very low192 Ų192156.7 Ų156.790%0.89784%0.839SS**  trans164.1153.3150.1-98.6174.9162.400109.1
6A27.3Very low32.9Very low93 Ų93151.8 Ų151.877%0.76984%0.836SS**  cis-171.7147.7-35.100000105.7
7T29.7Very low33.4Very low128 Ų128150.7 Ų150.779%0.78583%0.834SS**  trans-72.7172.5-174.2-25.70000113.8
8P31.8Very low33.9Very low126 Ų126153.6 Ų153.682%0.81884%0.837SS**  -151.116783.535.8-13.8000118
9L27Very low34.1Very low157 Ų157157.7 Ų157.782%0.82284%0.839SS**  trans-75.6156.7175-79.9147.3000114.2
10L33.5Very low34.7Very low164 Ų164158.6 Ų158.686%0.85984%0.842SS**  trans-170.6132.1139.9-105.2152000116.2
11S35.3Very low34.7Very low97 Ų97154.7 Ų154.768%0.67884%0.84SS**  trans53.7121.4147.758.30000121.4
12M31.1Very low34.6Very low173 Ų173147.1 Ų147.185%0.85283%0.825SS**  74.311060.5-74.8-159.974.500117.3
13Q37.6Very low35.2Very low191 Ų191152.4 Ų152.489%0.89383%0.831SS**  trans179.2116.7143.2-104.7179-6800106.5
14K40.3Very low35.9Very low176 Ų176146.7 Ų146.777%0.76582%0.815SS**  cis83.1132.646.9-138.8-169.1-177.1-176.50114.7
15D42Very low36.7Very low148 Ų148147.2 Ų147.279%0.79182%0.818SS**  trans94.7134.4169.6-50.8-30.1000115.8
16G40Very low37.4Very low77 Ų77142.9 Ų142.979%0.79481%0.809SS**  cis-168.2176.510.200000112.4
17V41.4Very low38.2Very low134 Ų134144.3 Ų144.381%0.81281%0.808SS**  trans-97.9148-160165.50000112.3
18K42.6Very low39Very low203 Ų203142.6 Ų142.688%0.88381%0.807SS**  169.7150.8111.2-126.8149-172.5-170.80114.5
19R38.6Very low39.6Very low231 Ų231143.5 Ų143.587%0.87280%0.801SS**  trans-84.5178.6-173.5-70.9178171.1178.2-3114.2
20I45.1Very low40.4Very low175 Ų175145.7 Ų145.790%0.89780%0.798SS**  trans114.7124.4157.4-57.6154.7000108.7
21G35.3Very low40.8Very low78 Ų78145.4 Ų145.480%0.80480%0.797SS**  cis145.7128.313.600000106
22G38.4Very low41.2Very low87 Ų87146.7 Ų146.790%0.89780%0.801SS**  trans157.7113.117500000115.5
23R37.6Very low41.6Very low241 Ų241149.5 Ų149.591%0.90980%0.802SS**  trans-124.9172.3163.3-138.5-161.2163.2177.3-2.8104.9
24P45.5Very low41.9Very low88 Ų88144.5 Ų144.557%0.57179%0.789SS**  cis-141.2-173.1-8.537.5-15.7000115.4
25T40.3Very low42Very low132 Ų132144 Ų14481%0.8180%0.795SS**  trans70123143.554.60000122.5
26S45.1Very low42.1Very low102 Ų102141.5 Ų141.571%0.71379%0.794SS**  -172.2126126.7-160.30000114
27T44.4Very low42.2Very low122 Ų122143.4 Ų143.475%0.74879%0.792SS**  trans47119.5138.756.90000122.3
28A45.6Very low42.3Very low92 Ų92144.5 Ų144.576%0.7680%0.799SS**  84.814091.400000111.7
29E45.1Very low42Very low146 Ų146138.3 Ų138.368%0.68279%0.793SS**  cis-160.2159.231.5-73.5-173.810100111.8
30R43.6Very low41.9Very low203 Ų203130.9 Ų130.977%0.76679%0.788SS**  trans40.6128.5142.1-63.8178.2-136.8-159.33.1122.6
31D42.5Very low41.3Very low158 Ų158130.8 Ų130.885%0.84578%0.784SS**  -170.1148.7100.5-98.4-23.5000114.1
32T42.1Very low41.2Very low124 Ų124132.7 Ų132.776%0.76179%0.785SS**  trans-100.8149.9-169.344.80000114.1
33R41.4Very low41.1Very low231 Ų231137.6 Ų137.687%0.87278%0.782SS**  trans147.8109.1138.3-91.8-179.9170.8175.2-3.1112.1
34S43.5Very low41Very low87 Ų87131 Ų13161%0.60878%0.779SS**  79.3106.292.567.70000114.5
35D41.8Very low40.6Very low166 Ų166132.7 Ų132.789%0.88879%0.787SS**  168.4145.6112.3-86.3-21.8000111.6
36A43.6Very low40.4Very low94 Ų94131.4 Ų131.478%0.77778%0.784SS**  trans-103.3-168-170.900000111.3
37P42.3Very low40.1Very low118 Ų118131.8 Ų131.877%0.76678%0.784SS**  -115.7168-112.733.9-15.3000113
38V43.5Very low40Very low156 Ų156131.9 Ų131.995%0.94578%0.784SS**  trans-178.4136.3148.9161.60000108.1
39G37.2Very low39.7Very low73 Ų73138 Ų13875%0.75379%0.787SS**  trans137.2100.6145.700000117.7
40G36Very low39.7Very low75 Ų75139.7 Ų139.777%0.77379%0.788SS**  77.195126.900000118.7
41H31.8Very low39.5Very low174 Ų174138.4 Ų138.481%0.80679%0.79SS**  trans-64134162.1-62.6-79.7000111.7
42S34.4Very low39.2Very low118 Ų118136.3 Ų136.383%0.82579%0.788SS**  trans-153.786.2159.7-600000108.3
43F35.7Very low38.8Very low190 Ų190137.2 Ų137.283%0.83380%0.798SS**  trans-94.7103.7169.5-77-80.6000108.6T45F43-T45 PolarHBondContact O-N 3.15Å
44A36.1Very low38.9Very low103 Ų103129 Ų12985%0.85179%0.785SS**  trans-76.7114.4167.800000109
45T36.6Very low39Very low122 Ų122133.1 Ų133.175%0.74880%0.799SS**  trans-86112.5170.5390000109.1F43F43-T45 PolarHBondContact O-N 3.15Å
46S35.2Very low39.2Very low105 Ų105134.1 Ų134.173%0.73479%0.791SS**  trans-100.6126.3168.6-106.60000109.5V48S46-V48 PolarHBondContact O-N 3.29Å
47P39.2Very low39.6Very low111 Ų111136 Ų13672%0.72179%0.788SS**  trans-75.5119.5173.129.9-30.3000109.6R49P47-R49 PolarHBondContact O-N 3.1Å
48V42.4Very low40Very low124 Ų124139 Ų13975%0.75280%0.796SS**  trans-86.4108.5174.4177.60000108.8S46S46-V48 PolarHBondContact O-N 3.29Å
49R39.6Very low40.9Very low220 Ų220135.3 Ų135.383%0.8379%0.789SS**  trans-92.2113.4171.2-172.2179.6-174179.52.4108.7P47 Q51P47-R49 PolarHBondContact O-N 3.1Å; R49-Q51 PolarHBondContact O-N 2.93Å
50R45.7Very low41.8Very low182 Ų182136.8 Ų136.869%0.68778%0.784SS**  trans-81115.7176.6-86.3-172.7175.3-172.21.5111.2E64R50-E64 PolarHBondContact NH2-O 3.33Å
51Q38.3Very low42.8Very low175 Ų175139.5 Ų139.582%0.81878%0.779SS**  trans-111.4125.5153.9-80.9-179.8-18.400107.1R49R49-Q51 PolarHBondContact O-N 2.93Å
52S37.5Very low44Very low115 Ų115134.5 Ų134.580%0.80476%0.756SS**  trans-103.1122-178.552.40000111.4
53C33Very low45.1Very low142 Ų142133.2 Ų133.296%0.95975%0.745SS**  trans-178.194.6143.2-94.60000108.6
54G43.8Very low45.8Very low59 Ų59129.5 Ų129.561%0.60873%0.73SS**  trans-148.5128.2171.300000109Y56G54-Y56 VanDerWaalsContact O-CD1 3.29Å; G54-Y56 WeakPolarHBondContact O-CD1 3.33Å; G54-Y56 PolarHBondContact O-N 3.3Å
55I45.4Very low46.5Very low174 Ų174129.5 Ų129.589%0.89272%0.715SS**PPolyproline II helixtrans-60.6116.3-176-61.3161.6000109.1
56Y46.3Very low47.6Very low187 Ų187131.1 Ų131.173%0.73371%0.709SS**PPolyproline II helixtrans-95.8122.3-179.332.4-92.4000111.3G54G54-Y56 VanDerWaalsContact O-CD1 3.29Å; G54-Y56 WeakPolarHBondContact O-CD1 3.33Å; G54-Y56 PolarHBondContact O-N 3.3Å
57N51Low49.1Very low132 Ų132129 Ų12971%0.70669%0.689SS**PPolyproline II helixtrans-77.6130.4168.4-81.5-20.3000109.7G59 T60N57-G59 PolarHBondContact O-N 2.67Å; N57-T60 PolarHBondContact O-OG1 3.05Å
58I51.8Low50.5Low183 Ų183133.4 Ų133.494%0.93869%0.691SS**THydrogen-bonded Turntrans-61.2124.5173-80.9164.9000109.7
59G61.9Low52.1Low78 Ų78137.2 Ų137.280%0.80469%0.692SS**THydrogen-bonded Turntrans120.3-12.7171.300000116.3N57N57-G59 PolarHBondContact O-N 2.67Å
60T56.7Low53.8Low103 Ų103129.1 Ų129.163%0.63268%0.677SS**  trans-85121.817142.50000110.4N57 Q62N57-T60 PolarHBondContact O-OG1 3.05Å; T60-Q62 PolarHBondContact O-N 2.76Å
61I57.1Low55.5Low133 Ų133121.9 Ų121.968%0.68265%0.654SS**  trans-54.4127.4164.5-60.7174.6000106.6P63 Y66I61-P63 VanDerWaalsContact O-CD 3.26Å; I61-P63 WeakPolarHBondContact O-CD 3.42Å; I61-Y66 HydrophobicContact CG2-CD2 4.35Å; I61-Y66 HydrophobicContact CG2-CE2 3.62Å
62Q57.1Low57.7Low68 Ų68117.3 Ų117.332%0.31864%0.638SS.*  trans-99.296.6175.9-73.2-166.1-7700108.4T60 E64 L65 Y66T60-Q62 PolarHBondContact O-N 2.76Å; Q62-E64 HydrophobicContact CB-CG 4.27Å; Q62-E64 WeakPolarHBondContact CB-OE1 2.98Å; Q62-E64 VanDerWaalsContact CG-OE1 3.28Å; Q62-E64 WeakPolarHBondContact CG-OE1 3.27Å; Q62-E64 PolarHBondContact NE2-OE1 2.83Å; Q62-E64 PolarHBondContact O-N 3.16Å; Q62-E64 VanDerWaalsContact O-N 3.1Å; Q62-L65 HydrophobicContact CB-CB 4.32Å; Q62-L65 HydrophobicContact CB-CD1 3.77Å; Q62-L65 HydrophobicContact CB-CG 3.69Å; Q62-L65 HydrophobicContact CG-CD1 4.38Å; Q62-L65 WeakPolarHBondContact O-CB 3.44Å; Q62-L65 PolarHBondContact O-N 3.15Å; Q62-Y66 VanDerWaalsContact O-CD2 3.28Å; Q62-Y66 WeakPolarHBondContact O-CD2 3.34Å
63P56.8Low60Low91 Ų91113.8 Ų113.859%0.59161%0.61SS**G310 helixtrans-55.9-29.5-178.8-22.733.9000112.5I61 L65 Y66I61-P63 VanDerWaalsContact O-CD 3.26Å; I61-P63 WeakPolarHBondContact O-CD 3.42Å; P63-L65 PolarHBondContact O-N 3.19Å; P63-Y66 PolarHBondContact O-N 3.42Å
64E51Low62.5Low112 Ų112110.9 Ų110.952%0.52359%0.588SS.*G310 helixtrans-65.8-11.2175.766.2-84.3-171.300115R50 Q62R50-E64 PolarHBondContact NH2-O 3.33Å; Q62-E64 HydrophobicContact CB-CG 4.27Å; Q62-E64 WeakPolarHBondContact CB-OE1 2.98Å; Q62-E64 VanDerWaalsContact CG-OE1 3.28Å; Q62-E64 WeakPolarHBondContact CG-OE1 3.27Å; Q62-E64 PolarHBondContact NE2-OE1 2.83Å; Q62-E64 PolarHBondContact O-N 3.16Å; Q62-E64 VanDerWaalsContact O-N 3.1Å
65L50.7Low64.3Low103 Ų103111.4 Ų111.454%0.53957%0.574SS.*G310 helixtrans-90.1-14.9170.5-63.8-176.5000112.7Q62 P63Q62-L65 HydrophobicContact CB-CB 4.32Å; Q62-L65 HydrophobicContact CB-CD1 3.77Å; Q62-L65 HydrophobicContact CB-CG 3.69Å; Q62-L65 HydrophobicContact CG-CD1 4.38Å; Q62-L65 WeakPolarHBondContact O-CB 3.44Å; Q62-L65 PolarHBondContact O-N 3.15Å; P63-L65 PolarHBondContact O-N 3.19Å
66Y58.8Low66.1Low157 Ų157107.3 Ų107.362%0.61656%0.558SS**SBendtrans-98.7103.9179.9-62.6-88.3000109.6I61 Q62 P63 R68I61-Y66 HydrophobicContact CG2-CD2 4.35Å; I61-Y66 HydrophobicContact CG2-CE2 3.62Å; Q62-Y66 VanDerWaalsContact O-CD2 3.28Å; Q62-Y66 WeakPolarHBondContact O-CD2 3.34Å; P63-Y66 PolarHBondContact O-N 3.42Å; Y66-R68 PolarHBondContact O-N 2.75Å
67L66.5Low67.3Low60 Ų60101.4 Ų101.431%0.31454%0.544SS..PPolyproline II helixtrans-60.7126.3168.2-69.9168.6000108.9L73 D190 A193L67-L73 HydrophobicContact CD1-CD1 4.43Å; L67-L73 HydrophobicContact CD2-CD1 4.08Å; L67-L73 HydrophobicContact CD2-CD2 3.65Å; L67-L73 HydrophobicContact CD2-CG 4.34Å; L67-D190 HydrophobicContact CD1-CB 3.98Å; L67-A193 HydrophobicContact CB-CB 4.04Å
68R68.6Low68.1Low203 Ų20398.3 Ų98.377%0.76654%0.543SS*.PPolyproline II helixtrans-83.7152173.8-71.5-162.1177.9-1761.4109Y66 G70 S71Y66-R68 PolarHBondContact O-N 2.75Å; R68-G70 PolarHBondContact O-N 3.4Å; R68-S71 PolarHBondContact N-OG 3.3Å; R68-S71 WeakPolarHBondContact O-CB 3.44Å; R68-S71 PolarHBondContact O-N 3.33Å; R68-S71 PolarHBondContact O-OG 2.92Å
69R76.3Confident69.3Low205 Ų20591.1 Ų91.177%0.77451%0.509SS*.THydrogen-bonded Turntrans-56.1125.4175.7-168177.2-180172.41.2110.3A193 D194R69-A193 CarbonylContact C-O 3.55Å; R69-A193 WeakPolarHBondContact CA-O 3.32Å; R69-D194 HydrophobicContact CG-CB 4.14Å; R69-D194 IonicContact NE-OD2 3.01Å; R69-D194 IonicContact NH2-OD2 3.31Å
70G75.3Confident70.2Confident49 Ų4995.3 Ų95.351%0.50551%0.513SS..THydrogen-bonded Turntrans81.916-176.600000115.3R68 A193 D194R68-G70 PolarHBondContact O-N 3.4Å; G70-A193 PolarHBondContact N-O 3.31Å; G70-D194 VanDerWaalsContact CA-O 3.24Å; G70-D194 WeakPolarHBondContact CA-O 3.37Å; G70-D194 PolarHBondContact N-O 3.45Å; G70-D194 VanDerWaalsContact N-O 3.14Å
71S81.1Confident71.6Confident31 Ų3195.3 Ų95.322%0.21750%0.502CS..  trans-57.9139.6172.5-79.80000111.7R68 I195 E196R68-S71 PolarHBondContact N-OG 3.3Å; R68-S71 WeakPolarHBondContact O-CB 3.44Å; R68-S71 PolarHBondContact O-N 3.33Å; R68-S71 PolarHBondContact O-OG 2.92Å; S71-I195 WeakPolarHBondContact O-CA 3.27Å; S71-E196 PolarHBondContact O-N 2.94Å
72V85.4Confident73.2Confident79 Ų7991.5 Ų91.548%0.47949%0.485SS..EExtended strand (participates in β ladder)trans-103.1118.2172.6-175.40000108.4E196V72-E196 CarbonylContact C-O 3.51Å; V72-E196 VanDerWaalsContact CA-O 3.3Å; V72-E196 WeakPolarHBondContact CA-O 3.49Å; V72-E196 HydrophobicContact CG2-CB 4.35Å
73L85.4Confident74.9Confident41 Ų4188.9 Ų88.922%0.21547%0.473CS..EExtended strand (participates in β ladder)trans-105.5142.4179.8-55.8-176.6000110.1L67 I195 E196 V197 A198L67-L73 HydrophobicContact CD1-CD1 4.43Å; L67-L73 HydrophobicContact CD2-CD1 4.08Å; L67-L73 HydrophobicContact CD2-CD2 3.65Å; L67-L73 HydrophobicContact CD2-CG 4.34Å; L73-I195 HydrophobicContact CD1-CD1 3.81Å; L73-E196 PolarHBondContact N-O 2.92Å; L73-V197 HydrophobicContact CB-CG2 4.38Å; L73-V197 CarbonylContact O-C 3.49Å; L73-V197 WeakPolarHBondContact O-CA 3.35Å; L73-A198 PolarHBondContact O-N 3.19Å
74T86.3Confident76.7Confident80 Ų8085.3 Ų85.349%0.49145%0.453SS..EExtended strand (participates in β ladder)trans-118.7119.8172.8-49.80000108.6T76 A198T74-T76 HydrophobicContact CG2-CG2 3.87Å; T74-A198 CarbonylContact C-O 3.5Å; T74-A198 WeakPolarHBondContact CA-O 3.48Å
75Q81.4Confident78.8Confident70 Ų7083.6 Ų83.633%0.32745%0.447SS..EExtended strand (participates in β ladder)trans-106.3101.7176.3-171.7168.2-7.500109.5E183 A198 A199 E200Q75-E183 PolarHBondContact NE2-O 3.44Å; Q75-A198 PolarHBondContact N-O 3.12Å; Q75-A199 HydrophobicContact CB-CB 4.24Å; Q75-E200 PolarHBondContact O-N 2.71Å
76T81.4Confident80.9Confident88 Ų8878.7 Ų78.754%0.5442%0.422SS..  trans-109.8132.8174.359.70000109.4T74 E200T74-T76 HydrophobicContact CG2-CG2 3.87Å; T76-E200 VanDerWaalsContact CA-CD 3.48Å; T76-E200 VanDerWaalsContact CA-OE2 3.26Å; T76-E200 WeakPolarHBondContact CA-OE2 3.28Å; T76-E200 WeakPolarHBondContact CB-OE1 3.4Å; T76-E200 HydrophobicContact CG2-CG 4.4Å; T76-E200 WeakPolarHBondContact CG2-OE1 3.43Å
77S72Confident82.7Confident63 Ų6375.5 Ų75.544%0.44141%0.408SS..  trans-92.9-22172.165.50000112.6S79 E200 E202S77-S79 PolarHBondContact O-N 2.83Å; S77-S79 VanDerWaalsContact OG-CB 3.24Å; S77-S79 WeakPolarHBondContact OG-CB 3.46Å; S77-S79 PolarHBondContact OG-N 2.83Å; S77-S79 VanDerWaalsContact OG-N 3.11Å; S77-E200 PolarHBondContact N-OE2 3.26Å; S77-E200 PolarHBondContact OG-OE2 3.5Å; S77-E202 WeakPolarHBondContact CB-OE1 3.26Å; S77-E202 PolarHBondContact OG-OE1 3.27Å
78G69.3Low84.1Confident67 Ų6772.6 Ų72.669%0.69139%0.393SS*.  trans63.722-170.700000112.9E200G78-E200 PolarHBondContact N-OE2 3.35Å
79S77Confident85.4Confident33 Ų3368.4 Ų68.423%0.23138%0.378CS..  trans-82.5144.5-177.7-177.80000112.2S77 Y81 V82 E202S77-S79 PolarHBondContact O-N 2.83Å; S77-S79 VanDerWaalsContact OG-CB 3.24Å; S77-S79 WeakPolarHBondContact OG-CB 3.46Å; S77-S79 PolarHBondContact OG-N 2.83Å; S77-S79 VanDerWaalsContact OG-N 3.11Å; S79-Y81 PolarHBondContact O-N 3.13Å; S79-Y81 WeakPolarHBondContact OG-CB 3.23Å; S79-Y81 WeakPolarHBondContact OG-CD2 3.32Å; S79-Y81 PolarHBondContact OG-N 3.08Å; S79-Y81 VanDerWaalsContact OG-N 3.14Å; S79-V82 VanDerWaalsContact O-CG2 3.27Å; S79-V82 WeakPolarHBondContact O-CG2 3.45Å; S79-V82 PolarHBondContact O-N 3.21Å; S79-E202 WeakPolarHBondContact CB-OE1 3.3Å
80D80.6Confident86.3Confident165 Ų16558.7 Ų58.788%0.88234%0.341SS*.THydrogen-bonded Turntrans-65.7-3.8168.6-60.7-30.5000113.3
81Y86Confident87.3Confident104 Ų10457 Ų5741%0.40832%0.321SS..THydrogen-bonded Turntrans-93.62.2178.3-55.9-53.4000114S79 V83 E202 R203 R204 P205S79-Y81 PolarHBondContact O-N 3.13Å; S79-Y81 WeakPolarHBondContact OG-CB 3.23Å; S79-Y81 WeakPolarHBondContact OG-CD2 3.32Å; S79-Y81 PolarHBondContact OG-N 3.08Å; S79-Y81 VanDerWaalsContact OG-N 3.14Å; Y81-V83 PolarHBondContact O-N 3.3Å; Y81-E202 CarbonylContact O-C 3.57Å; Y81-E202 WeakPolarHBondContact O-CA 3.39Å; Y81-R203 PolarHBondContact O-N 3.46Å; Y81-R204 HydrophobicContact CD2-CB 4.15Å; Y81-R204 HydrophobicContact CD2-CG 3.6Å; Y81-R204 HydrophobicContact CE2-CG 4.39Å; Y81-R204 HydrophobicContact CG-CB 4.25Å; Y81-R204 HydrophobicContact CG-CG 3.87Å; Y81-P205 HydrophobicContact CD1-CG 4.24Å; Y81-P205 HydrophobicContact CE1-CG 3.57Å
82V90.7Very high88Confident53 Ų5356.5 Ų56.532%0.32132%0.315SS..EExtended strand (participates in β ladder)trans-68.1127.5178.7176.90000109.9S79 E200 I201 E202S79-V82 VanDerWaalsContact O-CG2 3.27Å; S79-V82 WeakPolarHBondContact O-CG2 3.45Å; S79-V82 PolarHBondContact O-N 3.21Å; V82-E200 HydrophobicContact CG1-CB 4.05Å; V82-E200 HydrophobicContact CG1-CG 4.08Å; V82-E200 HydrophobicContact CG2-CB 4.01Å; V82-E200 HydrophobicContact CG2-CG 4.28Å; V82-E200 WeakPolarHBondContact CG2-OE2 3.2Å; V82-I201 CarbonylContact C-O 3.55Å; V82-I201 WeakPolarHBondContact CA-O 3.42Å; V82-E202 HydrophobicContact CG2-CG 4.17Å
83V92.8Very high88.4Confident12 Ų1255.4 Ų55.47%0.07331%0.306CS..EExtended strand (participates in β ladder)trans-123.65.3-178.4-67.10000112.3Y81 V108 E109 L179 I201 R203Y81-V83 PolarHBondContact O-N 3.3Å; V83-V108 HydrophobicContact CG2-CG2 4.23Å; V83-V108 WeakPolarHBondContact O-CA 3.28Å; V83-E109 HydrophobicContact CB-CB 4.41Å; V83-E109 PolarHBondContact O-N 2.88Å; V83-L179 WeakPolarHBondContact CG2-O 3.25Å; V83-I201 HydrophobicContact CG2-CB 4.31Å; V83-I201 HydrophobicContact CG2-CG2 3.83Å; V83-I201 WeakPolarHBondContact CG2-O 3.37Å; V83-I201 PolarHBondContact N-O 3.35Å; V83-R203 HydrophobicContact CB-CB 4.42Å; V83-R203 HydrophobicContact CG1-CB 3.65Å; V83-R203 HydrophobicContact CG2-CB 3.88Å
84G93.6Very high88.8Confident16 Ų1659.4 Ų59.417%0.16532%0.322CS..EExtended strand (participates in β ladder)trans168.4-174.2-176.600000114.8N107 I201G84-N107 CarbonylContact C-O 3.52Å; G84-N107 WeakPolarHBondContact CA-O 3.48Å; G84-I201 PolarHBondContact N-O 3.47Å; G84-I201 PolarHBondContact O-N 3.11Å
85L95.2Very high89.2Confident76 Ų7659.1 Ų59.140%0.39834%0.335SS..EExtended strand (participates in β ladder)trans-137.2136.3176.8-17178.7000109.7A106 N107 A199 E200L85-A106 CarbonylContact O-C 3.32Å; L85-A106 WeakPolarHBondContact O-CA 3.46Å; L85-N107 PolarHBondContact N-O 3.35Å; L85-N107 PolarHBondContact O-N 3.22Å; L85-A199 WeakPolarHBondContact CA-O 3.42Å; L85-A199 WeakPolarHBondContact CD1-O 3.07Å; L85-E200 HydrophobicContact CD1-CG 4.39Å
86I95.7Very high89.7Confident0 Ų064 Ų640%035%0.351CS..EExtended strand (participates in β ladder)trans-119135.9170.8-171161.3000110.3L88 L103 E105 A106 L167 V182 A198 A199 I201I86-L88 HydrophobicContact CG2-CD2 4.12Å; I86-L103 HydrophobicContact CD1-CD2 4.07Å; I86-E105 WeakPolarHBondContact CA-O 3.34Å; I86-A106 HydrophobicContact CB-CB 4.15Å; I86-A106 HydrophobicContact CD1-CB 4.07Å; I86-A106 HydrophobicContact CG1-CB 3.92Å; I86-L167 HydrophobicContact CD1-CD1 4.1Å; I86-L167 HydrophobicContact CG2-CD1 4.41Å; I86-V182 HydrophobicContact CG2-CB 4.46Å; I86-V182 HydrophobicContact CG2-CG2 3.6Å; I86-A198 CarbonylContact O-C 3.42Å; I86-A198 WeakPolarHBondContact O-CA 3.26Å; I86-A199 HydrophobicContact CG2-CB 4.21Å; I86-A199 PolarHBondContact N-O 3.24Å; I86-A199 PolarHBondContact O-N 2.64Å; I86-I201 HydrophobicContact CB-CD1 4.07Å; I86-I201 HydrophobicContact CB-CG1 4.06Å; I86-I201 HydrophobicContact CG2-CG1 4.04Å
87R95.8Very high90.3Very high90 Ų9062.4 Ų62.434%0.3434%0.343SS..EExtended strand (participates in β ladder)trans-105.2134167.9-86.4174.371.4177.16.5110V104 E105 E196 V197 A198R87-V104 HydrophobicContact CB-CB 4.12Å; R87-V104 WeakPolarHBondContact O-CB 3.34Å; R87-V104 PolarHBondContact O-N 3.41Å; R87-E105 HydrophobicContact CB-CG 4.08Å; R87-E105 PolarHBondContact N-O 3.13Å; R87-E105 IonicContact NH1-OE1 3.56Å; R87-E105 PolarHBondContact NH1-OE1 3.03Å; R87-E105 PolarHBondContact O-N 3.33Å; R87-E196 IonicContact CZ-OE1 2.62Å; R87-E196 IonicContact NE-OE1 3.45Å; R87-E196 PolarHBondContact NE-OE1 2.73Å; R87-E196 IonicContact NH2-OE1 2.87Å; R87-E196 PolarHBondContact NH2-OE1 3.26Å; R87-V197 WeakPolarHBondContact CA-O 3.23Å; R87-A198 HydrophobicContact CG-CB 3.89Å
88L96.3Very high91.4Very high0 Ų060.6 Ų60.60%033%0.329CS..EExtended strand (participates in β ladder)trans-146.5157.1178.363.5155.9000111.5I86 L90 V101 R102 L103 L165 L167 L184 E196 V197I86-L88 HydrophobicContact CG2-CD2 4.12Å; L88-L90 HydrophobicContact CD1-CD2 3.69Å; L88-L90 HydrophobicContact CD1-CG 4.37Å; L88-V101 HydrophobicContact CD1-CG1 4.07Å; L88-R102 CarbonylContact C-O 3.16Å; L88-R102 WeakPolarHBondContact CA-O 3.47Å; L88-R102 WeakPolarHBondContact CB-O 3.47Å; L88-L103 HydrophobicContact CB-CD2 4.02Å; L88-L103 HydrophobicContact CD1-CD2 4.41Å; L88-L165 HydrophobicContact CD1-CD2 4.16Å; L88-L167 HydrophobicContact CD1-CD1 3.88Å; L88-L167 HydrophobicContact CD2-CD1 4.22Å; L88-L184 HydrophobicContact CD1-CD1 3.94Å; L88-L184 HydrophobicContact CD2-CD1 4.41Å; L88-E196 CarbonylContact O-C 3.59Å; L88-E196 WeakPolarHBondContact O-CA 3.48Å; L88-V197 HydrophobicContact CD2-CB 4.19Å; L88-V197 WeakPolarHBondContact CD2-O 3.45Å; L88-V197 HydrophobicContact CG-CB 4.31Å; L88-V197 PolarHBondContact N-O 2.8Å; L88-V197 PolarHBondContact O-N 3.14Å
89R95.6Very high92.6Very high115 Ų11557.4 Ų57.443%0.43430%0.296SS..EExtended strand (participates in β ladder)trans-113133.9171.8-64.8178.1176.1169.70.2110.3R102 V104 I195 E196R89-R102 HydrophobicContact CB-CB 4.23Å; R89-R102 PolarHBondContact N-O 3.01Å; R89-R102 PolarHBondContact O-N 2.78Å; R89-V104 HydrophobicContact CG-CG2 4.21Å; R89-I195 CarbonylContact C-O 3.58Å; R89-I195 VanDerWaalsContact CA-O 3.28Å; R89-I195 WeakPolarHBondContact CA-O 3.47Å; R89-E196 HydrophobicContact CG-CB 4.12Å; R89-E196 HydrophobicContact CG-CG 3.87Å; R89-E196 IonicContact CZ-OE2 3.33Å; R89-E196 IonicContact NE-OE2 3.85Å; R89-E196 PolarHBondContact NE-OE2 2.75Å; R89-E196 IonicContact NH2-OE2 3.14Å; R89-E196 PolarHBondContact NH2-OE2 2.9Å
90L95.6Very high93.5Very high0 Ų056.2 Ų56.20%029%0.287CS..EExtended strand (participates in β ladder)trans-113121.4178.2-56.6-174.9000108.5L88 F99 V101 L165 L184 L186 N189 P191 D194 I195 V197L88-L90 HydrophobicContact CD1-CD2 3.69Å; L88-L90 HydrophobicContact CD1-CG 4.37Å; L90-F99 HydrophobicContact CB-CE2 4.22Å; L90-F99 HydrophobicContact CD2-CE2 4.09Å; L90-F99 HydrophobicContact CD2-CZ 3.87Å; L90-V101 HydrophobicContact CD2-CB 4.41Å; L90-V101 HydrophobicContact CD2-CG1 4.09Å; L90-V101 HydrophobicContact CD2-CG2 4.03Å; L90-L165 HydrophobicContact CD2-CD2 3.69Å; L90-L184 HydrophobicContact CD1-CD1 4.01Å; L90-L186 HydrophobicContact CD1-CD2 4.19Å; L90-N189 HydrophobicContact CD1-CB 4.01Å; L90-P191 HydrophobicContact CB-CB 4.28Å; L90-P191 HydrophobicContact CB-CG 4.46Å; L90-D194 CarbonylContact O-C 3.42Å; L90-D194 WeakPolarHBondContact O-CA 3.38Å; L90-I195 HydrophobicContact CB-CD1 4.43Å; L90-I195 HydrophobicContact CB-CG1 3.87Å; L90-I195 HydrophobicContact CD1-CD1 4.27Å; L90-I195 HydrophobicContact CG-CG1 4.49Å; L90-I195 PolarHBondContact N-O 3.21Å; L90-I195 PolarHBondContact O-N 3.24Å; L90-V197 HydrophobicContact CD1-CG2 4.11Å; L90-V197 HydrophobicContact CG-CG2 4.4Å
91S95.4Very high94.3Very high14 Ų1448.4 Ų48.410%0.09825%0.245CC..EExtended strand (participates in β ladder)trans-140.6151.1179.856.60000110.5V100 P191S91-V100 PolarHBondContact N-O 2.62Å; S91-V100 PolarHBondContact O-N 2.97Å; S91-V100 PolarHBondContact OG-O 2.88Å; S91-P191 CarbonylContact C-O 3.58Å; S91-P191 VanDerWaalsContact CA-O 3.25Å; S91-P191 WeakPolarHBondContact CA-O 3.44Å
92Y96.2Very high94.8Very high21 Ų2148.7 Ų48.78%0.08225%0.246CC..EExtended strand (participates in β ladder)trans-118.3125.4175.6-166.3-96.7000111.3F94 S97 F99 I155 P156 I157 L160 P191Y92-F94 AromaticContact CD1-CD1 3.79Å; Y92-F94 HydrophobicContact CD1-CD1 3.79Å; Y92-F94 HydrophobicContact CD1-CD2 4.04Å; Y92-F94 AromaticContact CD1-CE1 3.89Å; Y92-F94 HydrophobicContact CD1-CE1 3.89Å; Y92-F94 HydrophobicContact CD1-CE2 4.14Å; Y92-F94 AromaticContact CD1-CG 3.88Å; Y92-F94 HydrophobicContact CD1-CG 3.88Å; Y92-F94 HydrophobicContact CD1-CZ 4.07Å; Y92-F94 AromaticContact CE1-CD1 3.87Å; Y92-F94 HydrophobicContact CE1-CD1 3.87Å; Y92-F94 HydrophobicContact CE1-CE1 4.19Å; Y92-F94 HydrophobicContact CE1-CG 4.22Å; Y92-F94 PolarHBondContact O-N 2.63Å; Y92-S97 WeakPolarHBondContact OH-CA 3.48Å; Y92-S97 WeakPolarHBondContact OH-CB 3.36Å; Y92-F99 HydrophobicContact CD2-CB 4.11Å; Y92-F99 HydrophobicContact CE2-CB 4.35Å; Y92-I155 VanDerWaalsContact CE2-O 3.26Å; Y92-I155 WeakPolarHBondContact CE2-O 3.21Å; Y92-I155 PolarHBondContact OH-O 3.31Å; Y92-P156 WeakPolarHBondContact OH-CA 3.44Å; Y92-I157 HydrophobicContact CD1-CB 4.26Å; Y92-I157 HydrophobicContact CD1-CD1 4.07Å; Y92-I157 HydrophobicContact CD1-CG1 4.45Å; Y92-I157 HydrophobicContact CD2-CD1 3.93Å; Y92-I157 HydrophobicContact CE1-CB 3.74Å; Y92-I157 HydrophobicContact CE1-CD1 4.35Å; Y92-I157 HydrophobicContact CE1-CG1 4.41Å; Y92-I157 HydrophobicContact CE2-CB 4.31Å; Y92-I157 HydrophobicContact CE2-CD1 4.22Å; Y92-I157 HydrophobicContact CG-CD1 3.85Å; Y92-I157 PolarHBondContact OH-N 2.87Å; Y92-L160 HydrophobicContact CD2-CD2 3.54Å; Y92-L160 HydrophobicContact CE2-CD2 3.86Å; Y92-P191 PolarHBondContact N-O 3.08Å
93D95Very high95Very high55 Ų5546.4 Ų46.429%0.29423%0.231SC..EExtended strand (participates in β ladder)trans-89.998.4172.3-176.1-20.1000109.2G95 R96 S97 D98D93-G95 PolarHBondContact O-N 2.92Å; D93-G95 WeakPolarHBondContact OD1-CA 3.23Å; D93-G95 PolarHBondContact OD1-N 3.4Å; D93-R96 HydrophobicContact CB-CB 4.37Å; D93-R96 PolarHBondContact O-N 3.45Å; D93-R96 PolarHBondContact OD1-N 2.91Å; D93-R96 VanDerWaalsContact OD1-N 3.1Å; D93-R96 VanDerWaalsContact OD2-CD 3.26Å; D93-R96 WeakPolarHBondContact OD2-CD 3.45Å; D93-R96 WeakPolarHBondContact OD2-CG 2.98Å; D93-R96 IonicContact OD2-NE 3.81Å; D93-S97 WeakPolarHBondContact O-CA 3.33Å; D93-S97 PolarHBondContact O-N 3.25Å; D93-D98 HydrophobicContact CB-CB 4.33Å; D93-D98 PolarHBondContact N-O 3.34Å; D93-D98 PolarHBondContact O-N 2.8Å
94F93.3Very high95.1Very high125 Ų12547.9 Ų47.955%0.54824%0.24SC..THydrogen-bonded Turntrans-62.6-26.8178-71.7-83.2000113.8Y92 I157Y92-F94 AromaticContact CD1-CD1 3.79Å; Y92-F94 HydrophobicContact CD1-CD1 3.79Å; Y92-F94 HydrophobicContact CD1-CD2 4.04Å; Y92-F94 AromaticContact CD1-CE1 3.89Å; Y92-F94 HydrophobicContact CD1-CE1 3.89Å; Y92-F94 HydrophobicContact CD1-CE2 4.14Å; Y92-F94 AromaticContact CD1-CG 3.88Å; Y92-F94 HydrophobicContact CD1-CG 3.88Å; Y92-F94 HydrophobicContact CD1-CZ 4.07Å; Y92-F94 AromaticContact CE1-CD1 3.87Å; Y92-F94 HydrophobicContact CE1-CD1 3.87Å; Y92-F94 HydrophobicContact CE1-CE1 4.19Å; Y92-F94 HydrophobicContact CE1-CG 4.22Å; Y92-F94 PolarHBondContact O-N 2.63Å; F94-I157 HydrophobicContact CE1-CB 4.38Å; F94-I157 HydrophobicContact CE1-CG1 4.2Å; F94-I157 HydrophobicContact CE1-CG2 4.29Å
95G93.8Very high95.2Very high75 Ų7549.7 Ų49.777%0.77325%0.245SC*.THydrogen-bonded Turntrans-72.8-32.6178.600000112.3D93D93-G95 PolarHBondContact O-N 2.92Å; D93-G95 WeakPolarHBondContact OD1-CA 3.23Å; D93-G95 PolarHBondContact OD1-N 3.4Å
96R93.1Very high95.2Very high172 Ų17246.1 Ų46.165%0.64923%0.226SC*.THydrogen-bonded Turntrans-102.6-10.9-179.8-61-176.8-171.5-140.1-2.4114.2D93 D98D93-R96 HydrophobicContact CB-CB 4.37Å; D93-R96 PolarHBondContact O-N 3.45Å; D93-R96 PolarHBondContact OD1-N 2.91Å; D93-R96 VanDerWaalsContact OD1-N 3.1Å; D93-R96 VanDerWaalsContact OD2-CD 3.26Å; D93-R96 WeakPolarHBondContact OD2-CD 3.45Å; D93-R96 WeakPolarHBondContact OD2-CG 2.98Å; D93-R96 IonicContact OD2-NE 3.81Å; R96-D98 HydrophobicContact CB-CB 4.16Å; R96-D98 PolarHBondContact O-N 3.25Å
97S93.5Very high95.1Very high55 Ų5549.7 Ų49.739%0.38525%0.245SC..THydrogen-bonded Turntrans54.941.7-167.2-57.40000112.4Y92 D93 I155Y92-S97 WeakPolarHBondContact OH-CA 3.48Å; Y92-S97 WeakPolarHBondContact OH-CB 3.36Å; D93-S97 WeakPolarHBondContact O-CA 3.33Å; D93-S97 PolarHBondContact O-N 3.25Å; S97-I155 CarbonylContact O-C 3.53Å; S97-I155 PolarHBondContact O-N 2.91Å; S97-I155 VanDerWaalsContact O-O 3.05Å
98D94.3Very high94.9Very high25 Ų2545.5 Ų45.513%0.13423%0.229CC..EExtended strand (participates in β ladder)trans-109123.7-178.8-82-20.5000110.5D93 R96 V100 F153 P154D93-D98 HydrophobicContact CB-CB 4.33Å; D93-D98 PolarHBondContact N-O 3.34Å; D93-D98 PolarHBondContact O-N 2.8Å; R96-D98 HydrophobicContact CB-CB 4.16Å; R96-D98 PolarHBondContact O-N 3.25Å; D98-V100 HydrophobicContact CB-CG2 4.4Å; D98-F153 WeakPolarHBondContact CA-O 3.41Å; D98-P154 WeakPolarHBondContact OD1-CA 3.46Å
99F95.3Very high94.6Very high0 Ų051 Ų510%026%0.255CS..EExtended strand (participates in β ladder)trans-78.9125.7162.3172.2-133000109.9L90 Y92 V101 L122 K152 F153 I155 L160 L165 L186 P191L90-F99 HydrophobicContact CB-CE2 4.22Å; L90-F99 HydrophobicContact CD2-CE2 4.09Å; L90-F99 HydrophobicContact CD2-CZ 3.87Å; Y92-F99 HydrophobicContact CD2-CB 4.11Å; Y92-F99 HydrophobicContact CE2-CB 4.35Å; F99-V101 HydrophobicContact CD1-CG2 4.03Å; F99-V101 HydrophobicContact CE1-CG2 3.32Å; F99-V101 HydrophobicContact CE2-CG2 3.98Å; F99-V101 HydrophobicContact CZ-CG2 3.33Å; F99-L122 HydrophobicContact CD1-CD1 4.2Å; F99-L122 HydrophobicContact CD1-CD2 4.02Å; F99-L122 HydrophobicContact CE1-CD2 3.78Å; F99-K152 CarbonylContact O-C 3.54Å; F99-K152 VanDerWaalsContact O-CA 3.3Å; F99-K152 WeakPolarHBondContact O-CA 3.43Å; F99-F153 HydrophobicContact CB-CB 4.28Å; F99-F153 HydrophobicContact CD1-CB 4.35Å; F99-F153 AromaticContact CD1-CD2 3.62Å; F99-F153 HydrophobicContact CD1-CD2 3.62Å; F99-F153 HydrophobicContact CD1-CE2 4.37Å; F99-F153 HydrophobicContact CD1-CG 4.35Å; F99-F153 HydrophobicContact CE1-CD2 4.18Å; F99-F153 PolarHBondContact N-O 3.07Å; F99-F153 PolarHBondContact O-N 3.4Å; F99-I155 HydrophobicContact CB-CG2 3.96Å; F99-L160 HydrophobicContact CB-CD1 3.88Å; F99-L160 HydrophobicContact CB-CD2 3.79Å; F99-L160 HydrophobicContact CD1-CD1 3.71Å; F99-L160 HydrophobicContact CD2-CD1 4.37Å; F99-L160 HydrophobicContact CD2-CD2 3.87Å; F99-L160 HydrophobicContact CE1-CD1 4.28Å; F99-L160 HydrophobicContact CG-CD1 3.73Å; F99-L160 HydrophobicContact CG-CD2 3.86Å; F99-L160 HydrophobicContact CG-CG 4.46Å; F99-L165 HydrophobicContact CE1-CD1 4.25Å; F99-L165 HydrophobicContact CE1-CD2 4.36Å; F99-L165 HydrophobicContact CZ-CD2 4.05Å; F99-L186 HydrophobicContact CE1-CD1 4.08Å; F99-L186 HydrophobicContact CZ-CD1 4.15Å; F99-L186 HydrophobicContact CZ-CD2 4.01Å; F99-P191 HydrophobicContact CD2-CB 3.76Å; F99-P191 HydrophobicContact CD2-CG 3.88Å; F99-P191 HydrophobicContact CE2-CB 3.63Å; F99-P191 HydrophobicContact CE2-CG 3.47Å; F99-P191 VanDerWaalsContact CE2-CG 3.47Å; F99-P191 HydrophobicContact CZ-CG 4.26Å
100V96.3Very high94.1Very high8 Ų847.8 Ų47.85%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-117.3116.7-174.9-173.70000110.2S91 D98 P150 V151 K152S91-V100 PolarHBondContact N-O 2.62Å; S91-V100 PolarHBondContact O-N 2.97Å; S91-V100 PolarHBondContact OG-O 2.88Å; D98-V100 HydrophobicContact CB-CG2 4.4Å; V100-P150 HydrophobicContact CG1-CB 3.98Å; V100-V151 WeakPolarHBondContact CA-O 3.45Å; V100-K152 HydrophobicContact CG1-CG 4.41Å; V100-K152 HydrophobicContact CG2-CD 4.42Å; V100-K152 HydrophobicContact CG2-CG 4.17Å
101V96.2Very high93.7Very high0 Ų051.8 Ų51.80%028%0.282CS..EExtended strand (participates in β ladder)trans-105.2118.6174.8-176.80000108.8L88 L90 F99 L103 V120 P150 V151 F153 L165L88-V101 HydrophobicContact CD1-CG1 4.07Å; L90-V101 HydrophobicContact CD2-CB 4.41Å; L90-V101 HydrophobicContact CD2-CG1 4.09Å; L90-V101 HydrophobicContact CD2-CG2 4.03Å; F99-V101 HydrophobicContact CD1-CG2 4.03Å; F99-V101 HydrophobicContact CE1-CG2 3.32Å; F99-V101 HydrophobicContact CE2-CG2 3.98Å; F99-V101 HydrophobicContact CZ-CG2 3.33Å; V101-L103 HydrophobicContact CG1-CD2 4.1Å; V101-V120 HydrophobicContact CB-CG1 4.35Å; V101-V120 HydrophobicContact CG1-CG1 4.21Å; V101-V120 HydrophobicContact CG2-CG1 4.27Å; V101-P150 WeakPolarHBondContact O-CA 3.05Å; V101-V151 HydrophobicContact CB-CB 4.33Å; V101-V151 PolarHBondContact N-O 2.83Å; V101-V151 PolarHBondContact O-N 3.16Å; V101-F153 HydrophobicContact CG2-CD2 4.45Å; V101-F153 HydrophobicContact CG2-CE2 4.1Å; V101-L165 HydrophobicContact CG1-CD2 4.28Å; V101-L165 HydrophobicContact CG2-CD1 4.26Å; V101-L165 HydrophobicContact CG2-CD2 3.98Å
102R96.5Very high93.2Very high111 Ų11157 Ų5742%0.41931%0.309SS..EExtended strand (participates in β ladder)trans-109107.3170.7-75-176.9-169.399.8-3.5109.3L88 R89 V104 P150L88-R102 CarbonylContact C-O 3.16Å; L88-R102 WeakPolarHBondContact CA-O 3.47Å; L88-R102 WeakPolarHBondContact CB-O 3.47Å; R89-R102 HydrophobicContact CB-CB 4.23Å; R89-R102 PolarHBondContact N-O 3.01Å; R89-R102 PolarHBondContact O-N 2.78Å; R102-V104 PolarHBondContact O-N 3.47Å; R102-P150 HydrophobicContact CG-CB 3.76Å
103L95.9Very high92.9Very high4 Ų456.6 Ų56.62%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-68.3130.4165.8-52.5-179.9000107.2I86 L88 V101 V118 V120 V134 F147 L167I86-L103 HydrophobicContact CD1-CD2 4.07Å; L88-L103 HydrophobicContact CB-CD2 4.02Å; L88-L103 HydrophobicContact CD1-CD2 4.41Å; V101-L103 HydrophobicContact CG1-CD2 4.1Å; L103-V118 HydrophobicContact CD1-CB 3.69Å; L103-V118 HydrophobicContact CD1-CG1 3.67Å; L103-V118 HydrophobicContact CD1-CG2 4Å; L103-V120 HydrophobicContact CD1-CG2 4.24Å; L103-V134 HydrophobicContact CD1-CB 4.34Å; L103-V134 HydrophobicContact CD1-CG2 4.46Å; L103-F147 HydrophobicContact CB-CB 3.65Å; L103-F147 HydrophobicContact CB-CD1 4.31Å; L103-F147 HydrophobicContact CB-CD2 3.69Å; L103-F147 HydrophobicContact CB-CE2 4.43Å; L103-F147 HydrophobicContact CB-CG 3.62Å; L103-F147 HydrophobicContact CD1-CD1 4.09Å; L103-F147 HydrophobicContact CD1-CE1 4.28Å; L103-F147 HydrophobicContact CD1-CG 4.24Å; L103-F147 WeakPolarHBondContact O-CB 3.47Å; L103-L167 HydrophobicContact CD2-CD1 4.14Å; L103-L167 HydrophobicContact CD2-CD2 4.31Å
104V94.4Very high92.6Very high43 Ų4357.3 Ų57.326%0.26131%0.311SS..EExtended strand (participates in β ladder)trans-97.4-65.3-179.2178.60000108.4R87 R89 R102 F147R87-V104 HydrophobicContact CB-CB 4.12Å; R87-V104 WeakPolarHBondContact O-CB 3.34Å; R87-V104 PolarHBondContact O-N 3.41Å; R89-V104 HydrophobicContact CG-CG2 4.21Å; R102-V104 PolarHBondContact O-N 3.47Å; V104-F147 PolarHBondContact O-N 3.44Å
105E95.1Very high92.5Very high55 Ų5556.3 Ų56.326%0.25730%0.303SS..EExtended strand (participates in β ladder)trans-149.2152.8179.262.1-178.8168.600110.9I86 R87 N144 F145I86-E105 WeakPolarHBondContact CA-O 3.34Å; R87-E105 HydrophobicContact CB-CG 4.08Å; R87-E105 PolarHBondContact N-O 3.13Å; R87-E105 IonicContact NH1-OE1 3.56Å; R87-E105 PolarHBondContact NH1-OE1 3.03Å; R87-E105 PolarHBondContact O-N 3.33Å; E105-N144 HydrophobicContact CB-CB 4.33Å; E105-N144 PolarHBondContact OE2-ND2 2.95Å; E105-F145 CarbonylContact C-O 3.58Å; E105-F145 WeakPolarHBondContact CA-O 3.26Å; E105-F145 WeakPolarHBondContact CB-O 3.28Å
106A95.7Very high92.2Very high0 Ų052.7 Ų52.70%027%0.267CS..EExtended strand (participates in β ladder)trans-136.5133.8171.300000110.8L85 I86 N144 F145 F147 L169 I201L85-A106 CarbonylContact O-C 3.32Å; L85-A106 WeakPolarHBondContact O-CA 3.46Å; I86-A106 HydrophobicContact CB-CB 4.15Å; I86-A106 HydrophobicContact CD1-CB 4.07Å; I86-A106 HydrophobicContact CG1-CB 3.92Å; A106-N144 CarbonylContact O-C 3.59Å; A106-N144 WeakPolarHBondContact O-CA 3.49Å; A106-F145 HydrophobicContact CB-CB 4.45Å; A106-F145 PolarHBondContact N-O 2.72Å; A106-F145 WeakPolarHBondContact O-CD2 3.2Å; A106-F145 PolarHBondContact O-N 3.06Å; A106-F147 HydrophobicContact CB-CE2 3.76Å; A106-F147 HydrophobicContact CB-CZ 4.31Å; A106-L169 HydrophobicContact CB-CD2 4.21Å; A106-I201 HydrophobicContact CB-CD1 4.49Å
107N94.3Very high92Very high76 Ų7647.1 Ų47.141%0.40625%0.245SC..EExtended strand (participates in β ladder)trans-109.4126.9165.4-1768.3000107.9G84 L85 I201G84-N107 CarbonylContact C-O 3.52Å; G84-N107 WeakPolarHBondContact CA-O 3.48Å; L85-N107 PolarHBondContact N-O 3.35Å; L85-N107 PolarHBondContact O-N 3.22Å; N107-I201 WeakPolarHBondContact O-CD1 3.38Å
108V92Very high91.8Very high1 Ų144.5 Ų44.51%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-147.8143.3-177.264.10000110.7V83 R138 F145 L169 L179 I201V83-V108 HydrophobicContact CG2-CG2 4.23Å; V83-V108 WeakPolarHBondContact O-CA 3.28Å; V108-R138 PolarHBondContact O-NH2 3.5Å; V108-F145 HydrophobicContact CG1-CD2 4.13Å; V108-F145 HydrophobicContact CG1-CE2 3.65Å; V108-L169 HydrophobicContact CB-CD2 4.47Å; V108-L169 HydrophobicContact CG1-CD2 4.39Å; V108-L179 HydrophobicContact CG1-CD1 3.98Å; V108-L179 HydrophobicContact CG2-CB 3.9Å; V108-I201 HydrophobicContact CB-CD1 4.02Å; V108-I201 HydrophobicContact CG2-CD1 4.31Å; V108-I201 HydrophobicContact CG2-CG2 4.3Å
109E88.4Confident91.4Very high117 Ų11743.9 Ų43.955%0.54722%0.224SC..SBendtrans-82.6145.6171.9-66.7-173.3173.900112V83V83-E109 HydrophobicContact CB-CB 4.41Å; V83-E109 PolarHBondContact O-N 2.88Å
110P85.9Confident91.1Very high47 Ų4743.9 Ų43.931%0.30522%0.224SC..SBendcis-79.8154.62.230.9-31.2000113.3D112 V113P110-D112 WeakPolarHBondContact CB-OD1 3.24Å; P110-D112 WeakPolarHBondContact CG-OD1 3.23Å; P110-D112 PolarHBondContact O-N 3.19Å; P110-V113 HydrophobicContact CG-CG2 3.82Å; P110-V113 WeakPolarHBondContact O-CG2 3.49Å; P110-V113 PolarHBondContact O-N 3.4Å
111A86.5Confident90.6Very high83 Ų8343.5 Ų43.569%0.68622%0.222SC*.THydrogen-bonded Turntrans-70.3-10.3-173.100000114.2R138A111-R138 VanDerWaalsContact C-NH1 3.28Å; A111-R138 PolarHBondContact O-NH1 3.19Å
112D86.6Confident90.1Very high123 Ų12343.5 Ų43.566%0.65822%0.222SC*.THydrogen-bonded Turntrans-84.3-7.8176.363.1-21.6000113.3P110 M114P110-D112 WeakPolarHBondContact CB-OD1 3.24Å; P110-D112 WeakPolarHBondContact CG-OD1 3.23Å; P110-D112 PolarHBondContact O-N 3.19Å; D112-M114 PolarHBondContact O-N 3.32Å; D112-M114 VanDerWaalsContact O-N 3.17Å
113V88Confident89.1Confident14 Ų1438.7 Ų38.79%0.08520%0.204CC..  trans-68114.7175.5-175.70000110P110 R115 R138 F145 L179P110-V113 HydrophobicContact CG-CG2 3.82Å; P110-V113 WeakPolarHBondContact O-CG2 3.49Å; P110-V113 PolarHBondContact O-N 3.4Å; V113-R115 WeakPolarHBondContact CG1-O 3.47Å; V113-R138 VanDerWaalsContact O-CZ 3.32Å; V113-R138 PolarHBondContact O-NE 3.37Å; V113-F145 HydrophobicContact CB-CZ 4.25Å; V113-F145 HydrophobicContact CG1-CZ 3.84Å; V113-F145 VanDerWaalsContact O-CZ 3.26Å; V113-F145 WeakPolarHBondContact O-CZ 3.15Å; V113-L179 HydrophobicContact CG1-CD1 4.01Å; V113-L179 HydrophobicContact CG2-CD1 4.43Å; V113-L179 HydrophobicContact CG2-CD2 3.87Å
114M90.2Very high88.2Confident69 Ų6942 Ų4234%0.3422%0.222SC..  trans-97.5-24.5179.3-67-56.3-62.500114D112 V137 R138D112-M114 PolarHBondContact O-N 3.32Å; D112-M114 VanDerWaalsContact O-N 3.17Å; M114-V137 CarbonylContact O-C 3.58Å; M114-V137 WeakPolarHBondContact O-CA 3.43Å; M114-R138 HydrophobicContact CE-CB 4.15Å; M114-R138 VanDerWaalsContact CE-O 3.3Å; M114-R138 WeakPolarHBondContact CE-O 3.35Å; M114-R138 PolarHBondContact O-N 3.09Å; M114-R138 HydrophobicContact SD-CB 4.34Å
115R90.7Very high87Confident104 Ų10442.6 Ų42.639%0.39224%0.236SC..EExtended strand (participates in β ladder)trans-126.5127.1177.3-65.9-162.8-66.5-156.8-10.3111.4V113 V137 S171 M172 E173V113-R115 WeakPolarHBondContact CG1-O 3.47Å; R115-V137 HydrophobicContact CG-CG1 4.38Å; R115-V137 HydrophobicContact CG-CG2 4.15Å; R115-S171 WeakPolarHBondContact O-CA 3.43Å; R115-M172 HydrophobicContact CB-CB 3.93Å; R115-M172 HydrophobicContact CB-CG 4.46Å; R115-M172 HydrophobicContact CB-SD 4.49Å; R115-M172 PolarHBondContact O-N 2.87Å; R115-E173 HydrophobicContact CB-CG 4.42Å; R115-E173 IonicContact CZ-OE1 3.26Å; R115-E173 IonicContact NE-OE1 3.64Å; R115-E173 PolarHBondContact NE-OE1 3.29Å; R115-E173 IonicContact NH1-OE1 2.73Å; R115-E173 IonicContact NH2-OE1 2.71Å; R115-E173 PolarHBondContact NH2-OE1 2.63Å
116C88Confident85.1Confident0 Ų049.2 Ų49.20%027%0.265CS..EExtended strand (participates in β ladder)trans-125.2132.2-179.3-178.50000110.7E135 A136 F145 I170C116-E135 WeakPolarHBondContact O-CA 3.37Å; C116-A136 PolarHBondContact N-O 3.4Å; C116-A136 PolarHBondContact O-N 2.74Å; C116-F145 HydrophobicContact CB-CD1 3.72Å; C116-F145 HydrophobicContact CB-CD2 4.01Å; C116-F145 HydrophobicContact CB-CE1 3.47Å; C116-F145 VanDerWaalsContact CB-CE1 3.47Å; C116-F145 HydrophobicContact CB-CE2 3.77Å; C116-F145 HydrophobicContact CB-CG 3.99Å; C116-F145 HydrophobicContact CB-CZ 3.52Å; C116-I170 CarbonylContact C-O 3.59Å; C116-I170 VanDerWaalsContact CA-O 3.27Å; C116-I170 WeakPolarHBondContact CA-O 3.24Å
117R87.6Confident83.1Confident54 Ų5456.2 Ų56.220%0.20430%0.297CS..EExtended strand (participates in β ladder)trans-103.3131.8164.8177.3-176.8-70.8164.7-1.3108.3V119 N133 V134 E135 I170 M172R117-V119 HydrophobicContact CG-CG2 4.37Å; R117-N133 HydrophobicContact CG-CB 4.27Å; R117-V134 CarbonylContact C-O 3.38Å; R117-V134 WeakPolarHBondContact CA-O 3.49Å; R117-E135 HydrophobicContact CB-CG 4.12Å; R117-E135 HydrophobicContact CG-CG 4.1Å; R117-E135 IonicContact CZ-OE1 3.56Å; R117-E135 IonicContact NE-OE1 2.78Å; R117-E135 PolarHBondContact NE-OE1 3.25Å; R117-E135 IonicContact NH2-OE1 2.66Å; R117-E135 PolarHBondContact NH2-OE1 3.12Å; R117-I170 HydrophobicContact CB-CB 4.21Å; R117-I170 HydrophobicContact CB-CG2 4.44Å; R117-I170 PolarHBondContact N-O 3.01Å; R117-I170 WeakPolarHBondContact O-CB 3.41Å; R117-I170 PolarHBondContact O-N 2.84Å; R117-M172 HydrophobicContact CB-CG 4.1Å; R117-M172 HydrophobicContact CB-SD 3.95Å
118V89.4Confident81.9Confident0 Ų056.2 Ų56.20%030%0.295CS..EExtended strand (participates in β ladder)trans-108.9118.5170.4-171.70000108.4L103 V120 N133 V134 F147 L167 N168 L169L103-V118 HydrophobicContact CD1-CB 3.69Å; L103-V118 HydrophobicContact CD1-CG1 3.67Å; L103-V118 HydrophobicContact CD1-CG2 4Å; V118-V120 HydrophobicContact CG1-CG2 4.18Å; V118-N133 WeakPolarHBondContact O-CA 3.21Å; V118-V134 PolarHBondContact N-O 2.94Å; V118-V134 PolarHBondContact O-N 2.87Å; V118-F147 HydrophobicContact CB-CE1 4.42Å; V118-F147 HydrophobicContact CG2-CE1 3.5Å; V118-F147 VanDerWaalsContact CG2-CE1 3.5Å; V118-F147 HydrophobicContact CG2-CE2 4.5Å; V118-F147 HydrophobicContact CG2-CZ 3.46Å; V118-F147 VanDerWaalsContact CG2-CZ 3.46Å; V118-L167 HydrophobicContact CG1-CB 4.17Å; V118-N168 CarbonylContact C-O 3.53Å; V118-N168 VanDerWaalsContact CA-O 3.29Å; V118-N168 WeakPolarHBondContact CA-O 3.25Å; V118-L169 HydrophobicContact CG2-CG 4.1Å
119V86.7Confident80.6Confident12 Ų1259.3 Ų59.37%0.07331%0.314CS..EExtended strand (participates in β ladder)trans-93.2118.1169.6-179.50000108.3R117 S131 R132 N133 L167 N168 I170 T211R117-V119 HydrophobicContact CG-CG2 4.37Å; V119-S131 WeakPolarHBondContact CG1-OG 3.06Å; V119-R132 CarbonylContact C-O 3.54Å; V119-R132 WeakPolarHBondContact CA-O 3.22Å; V119-N133 HydrophobicContact CG2-CB 4.44Å; V119-L167 WeakPolarHBondContact O-CA 3.34Å; V119-N168 HydrophobicContact CB-CB 4.33Å; V119-N168 PolarHBondContact N-O 2.75Å; V119-N168 PolarHBondContact O-N 3.4Å; V119-I170 HydrophobicContact CG2-CD1 3.91Å; V119-T211 HydrophobicContact CB-CG2 3.29Å; V119-T211 HydrophobicContact CG1-CG2 3.72Å; V119-T211 HydrophobicContact CG2-CG2 3.37Å
120V89.6Confident79.9Confident0 Ų055.2 Ų55.20%030%0.299CS..EExtended strand (participates in β ladder)trans-101.9115.8-179.5-173.30000107.1V101 L103 V118 S131 R132 V151 F153 L165 H166 L167V101-V120 HydrophobicContact CB-CG1 4.35Å; V101-V120 HydrophobicContact CG1-CG1 4.21Å; V101-V120 HydrophobicContact CG2-CG1 4.27Å; L103-V120 HydrophobicContact CD1-CG2 4.24Å; V118-V120 HydrophobicContact CG1-CG2 4.18Å; V120-S131 WeakPolarHBondContact O-CA 3.12Å; V120-R132 PolarHBondContact N-O 2.93Å; V120-R132 PolarHBondContact O-N 3.22Å; V120-V151 HydrophobicContact CB-CG1 4.34Å; V120-V151 HydrophobicContact CB-CG2 4.45Å; V120-V151 HydrophobicContact CG1-CG1 4.33Å; V120-V151 HydrophobicContact CG2-CG2 4.06Å; V120-F153 HydrophobicContact CB-CZ 4.18Å; V120-F153 HydrophobicContact CG1-CE2 3.74Å; V120-F153 HydrophobicContact CG1-CZ 3.72Å; V120-F153 WeakPolarHBondContact O-CZ 2.92Å; V120-L165 HydrophobicContact CG1-CD1 3.56Å; V120-H166 WeakPolarHBondContact CA-O 3.36Å; V120-L167 HydrophobicContact CB-CD2 4.11Å; V120-L167 HydrophobicContact CG1-CD2 3.72Å; V120-L167 HydrophobicContact CG2-CD2 3.86Å
121S85.8Confident79.5Confident0 Ų054.7 Ų54.70%030%0.296CS..EExtended strand (participates in β ladder)trans-132150.5-179.164.20000113.6E128 S130 H166S121-E128 WeakPolarHBondContact CB-OE2 3.38Å; S121-E128 PolarHBondContact OG-OE2 3Å; S121-S130 CarbonylContact C-O 3.51Å; S121-S130 WeakPolarHBondContact CA-O 3.39Å; S121-S130 VanDerWaalsContact CB-O 3.3Å; S121-S130 WeakPolarHBondContact CB-O 3.37Å; S121-H166 PolarHBondContact N-O 2.89Å; S121-H166 PolarHBondContact O-N 2.85Å
122L84.1Confident79.2Confident1 Ų156.2 Ų56.21%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-103.9126.2173.1-69.2178.2000109.5F99 T129 S130 F153 I155 L160 R163 K164 L165 L186F99-L122 HydrophobicContact CD1-CD1 4.2Å; F99-L122 HydrophobicContact CD1-CD2 4.02Å; F99-L122 HydrophobicContact CE1-CD2 3.78Å; L122-T129 PolarHBondContact O-N 3.28Å; L122-T129 PolarHBondContact O-OG1 2.82Å; L122-S130 PolarHBondContact N-O 2.91Å; L122-F153 HydrophobicContact CD1-CB 3.78Å; L122-F153 HydrophobicContact CD1-CD1 4.07Å; L122-F153 HydrophobicContact CD1-CD2 4.23Å; L122-F153 HydrophobicContact CD1-CG 3.77Å; L122-F153 HydrophobicContact CG-CD1 4.34Å; L122-F153 HydrophobicContact CG-CD2 4.41Å; L122-F153 HydrophobicContact CG-CG 4.26Å; L122-I155 HydrophobicContact CD1-CD1 4.35Å; L122-I155 HydrophobicContact CD1-CG2 4.28Å; L122-L160 HydrophobicContact CD1-CD1 4.27Å; L122-L160 HydrophobicContact CD2-CD1 4.34Å; L122-R163 HydrophobicContact CD2-CB 4.36Å; L122-K164 WeakPolarHBondContact CA-O 3.29Å; L122-L165 HydrophobicContact CD2-CB 4.48Å; L122-L165 HydrophobicContact CD2-CD1 4.26Å; L122-L186 HydrophobicContact CD2-CD1 3.8Å
123Q76.8Confident79.1Confident9 Ų955.2 Ų55.24%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-113.1146.3177.2-62-167.3-10.700111.9E127 R163 K164 H166 E210Q123-E127 CarbonylContact C-O 3.41Å; Q123-E127 VanDerWaalsContact CA-O 3.24Å; Q123-E127 WeakPolarHBondContact CA-O 3.46Å; Q123-R163 CarbonylContact O-C 3.35Å; Q123-R163 WeakPolarHBondContact O-CA 3.23Å; Q123-R163 WeakPolarHBondContact O-CB 3.37Å; Q123-R163 WeakPolarHBondContact O-CD 3.25Å; Q123-K164 PolarHBondContact N-O 2.83Å; Q123-K164 PolarHBondContact O-N 3.38Å; Q123-H166 PolarHBondContact OE1-CE1 2.89Å; Q123-H166 VanDerWaalsContact OE1-CE1 3.32Å; Q123-H166 PolarHBondContact OE1-NE2 2.91Å; Q123-H166 VanDerWaalsContact OE1-NE2 3.13Å; Q123-E210 PolarHBondContact NE2-OE2 2.85Å
124D76.6Confident79Confident75 Ų7554.9 Ų54.940%0.40128%0.276SS..EExtended strand (participates in β ladder)trans-123.8108.5168.3-172.82.6000108.2F126 E127 T129 R163D124-F126 PolarHBondContact O-N 2.93Å; D124-E127 PolarHBondContact N-O 3.32Å; D124-E127 PolarHBondContact O-N 3.4Å; D124-E127 VanDerWaalsContact O-N 3.14Å; D124-T129 HydrophobicContact CB-CG2 4.26Å; D124-R163 VanDerWaalsContact CB-CZ 3.4Å; D124-R163 IonicContact OD2-CZ 2.63Å; D124-R163 IonicContact OD2-NE 3.52Å; D124-R163 IonicContact OD2-NH1 2.72Å; D124-R163 IonicContact OD2-NH2 3.78Å; D124-R163 PolarHBondContact OD2-NH2 3.24Å
125G68.8Low79Confident54 Ų5456.6 Ų56.656%0.55728%0.284SS*.THydrogen-bonded Turntrans61.5-116.2-16300000111.4
126F56.4Low79Confident194 Ų19452 Ų5285%0.85127%0.268SS*.THydrogen-bonded Turntrans-103.72.1178.8-62.1-79.4000113.1D124D124-F126 PolarHBondContact O-N 2.93Å
127E52.2Low79.2Confident147 Ų14756.7 Ų56.769%0.68730%0.296SS*.EExtended strand (participates in β ladder)trans-98.1123.3-177.6-66.6-166.4164.200111.6Q123 D124 T129Q123-E127 CarbonylContact C-O 3.41Å; Q123-E127 VanDerWaalsContact CA-O 3.24Å; Q123-E127 WeakPolarHBondContact CA-O 3.46Å; D124-E127 PolarHBondContact N-O 3.32Å; D124-E127 PolarHBondContact O-N 3.4Å; D124-E127 VanDerWaalsContact O-N 3.14Å; E127-T129 PolarHBondContact O-N 2.77Å
128E68.8Low79.3Confident76 Ų7654.7 Ų54.736%0.35529%0.289SS..EExtended strand (participates in β ladder)trans-71.7122.3167.2-176.4177.6105.800110.5S121 S131S121-E128 WeakPolarHBondContact CB-OE2 3.38Å; S121-E128 PolarHBondContact OG-OE2 3Å; E128-S131 WeakPolarHBondContact OE1-CB 3.26Å
129T66.1Low79.2Confident66 Ų6657.7 Ų57.741%0.40531%0.309SS..EExtended strand (participates in β ladder)trans-106.1-25.6-174.456.80000113.6L122 D124 E127 R163L122-T129 PolarHBondContact O-N 3.28Å; L122-T129 PolarHBondContact O-OG1 2.82Å; D124-T129 HydrophobicContact CB-CG2 4.26Å; E127-T129 PolarHBondContact O-N 2.77Å; T129-R163 VanDerWaalsContact CB-NH1 3.28Å; T129-R163 PolarHBondContact OG1-NH1 2.79Å
130S73.3Confident79Confident32 Ų3264.1 Ų64.122%0.22435%0.347CS..EExtended strand (participates in β ladder)trans-157.1150.1171.365.20000110.1S121 L122 F153S121-S130 CarbonylContact C-O 3.51Å; S121-S130 WeakPolarHBondContact CA-O 3.39Å; S121-S130 VanDerWaalsContact CB-O 3.3Å; S121-S130 WeakPolarHBondContact CB-O 3.37Å; L122-S130 PolarHBondContact N-O 2.91Å; S130-F153 WeakPolarHBondContact OG-CD1 3.27Å; S130-F153 WeakPolarHBondContact OG-CE1 3.4Å
131S78.2Confident78.4Confident36 Ų3668.3 Ų68.325%0.25239%0.391SS..EExtended strand (participates in β ladder)trans-147.1146.4-179.2179.70000111.6V119 V120 E128V119-S131 WeakPolarHBondContact CG1-OG 3.06Å; V120-S131 WeakPolarHBondContact O-CA 3.12Å; E128-S131 WeakPolarHBondContact OE1-CB 3.26Å
132R79.1Confident78.1Confident114 Ų11469.8 Ų69.843%0.4341%0.406SS..EExtended strand (participates in β ladder)trans-146.4154.9-179.2-64.5-68.8-175.4-90.6-0.6108.6V119 V120 V151 F153V119-R132 CarbonylContact C-O 3.54Å; V119-R132 WeakPolarHBondContact CA-O 3.22Å; V120-R132 PolarHBondContact N-O 2.93Å; V120-R132 PolarHBondContact O-N 3.22Å; R132-V151 HydrophobicContact CB-CG1 3.34Å; R132-V151 HydrophobicContact CB-CG2 4.48Å; R132-V151 HydrophobicContact CG-CG1 3.56Å; R132-F153 HydrophobicContact CB-CE1 4.29Å; R132-F153 HydrophobicContact CB-CZ 4.22Å; R132-F153 HydrophobicContact CG-CD1 4.34Å; R132-F153 HydrophobicContact CG-CE1 3.67Å; R132-F153 HydrophobicContact CG-CZ 4Å
133N84.2Confident78.2Confident102 Ų10272.9 Ų72.955%0.54543%0.432SS..EExtended strand (participates in β ladder)trans-124.1142.1-179.139.818.2000111R117 V118 V119R117-N133 HydrophobicContact CG-CB 4.27Å; V118-N133 WeakPolarHBondContact O-CA 3.21Å; V119-N133 HydrophobicContact CG2-CB 4.44Å
134V85.9Confident78.9Confident7 Ų774.7 Ų74.74%0.04244%0.442CS..EExtended strand (participates in β ladder)trans-127.6139.9170.3-169.50000107.6L103 R117 V118 F147 Q149 V151L103-V134 HydrophobicContact CD1-CB 4.34Å; L103-V134 HydrophobicContact CD1-CG2 4.46Å; R117-V134 CarbonylContact C-O 3.38Å; R117-V134 WeakPolarHBondContact CA-O 3.49Å; V118-V134 PolarHBondContact N-O 2.94Å; V118-V134 PolarHBondContact O-N 2.87Å; V134-F147 HydrophobicContact CB-CD1 4.4Å; V134-F147 HydrophobicContact CG1-CD1 3.85Å; V134-Q149 HydrophobicContact CG1-CB 4.38Å; V134-V151 HydrophobicContact CG2-CG2 3.19Å
135E90.6Very high79.7Confident105 Ų10571.1 Ų71.149%0.49142%0.423SS..EExtended strand (participates in β ladder)trans-116.7143.6178.8-61.6-17917400109.2C116 R117 M172C116-E135 WeakPolarHBondContact O-CA 3.37Å; R117-E135 HydrophobicContact CB-CG 4.12Å; R117-E135 HydrophobicContact CG-CG 4.1Å; R117-E135 IonicContact CZ-OE1 3.56Å; R117-E135 IonicContact NE-OE1 2.78Å; R117-E135 PolarHBondContact NE-OE1 3.25Å; R117-E135 IonicContact NH2-OE1 2.66Å; R117-E135 PolarHBondContact NH2-OE1 3.12Å; E135-M172 HydrophobicContact CB-SD 4.48Å; E135-M172 HydrophobicContact CG-SD 4.07Å
136A91.5Very high80.9Confident8 Ų872 Ų727%0.06642%0.417CS..EExtended strand (participates in β ladder)trans-137.9147.6174.400000110.5C116 F145 F147C116-A136 PolarHBondContact N-O 3.4Å; C116-A136 PolarHBondContact O-N 2.74Å; A136-F145 HydrophobicContact CB-CB 4.1Å; A136-F145 HydrophobicContact CB-CD1 4.19Å; A136-F147 HydrophobicContact CB-CD1 3.56Å; A136-F147 HydrophobicContact CB-CE1 3.39Å; A136-F147 HydrophobicContact CB-CG 4.23Å; A136-F147 HydrophobicContact CB-CZ 3.96Å
137V91Very high82.6Confident98 Ų9863.3 Ų63.359%0.59438%0.379SS*.EExtended strand (participates in β ladder)trans-109130.7171.4-174.50000107.3M114 R115M114-V137 CarbonylContact O-C 3.58Å; M114-V137 WeakPolarHBondContact O-CA 3.43Å; R115-V137 HydrophobicContact CG-CG1 4.38Å; R115-V137 HydrophobicContact CG-CG2 4.15Å
138R90.2Very high84.1Confident12 Ų1263.6 Ų63.65%0.04539%0.385CS..PPolyproline II helixtrans-66.6126.8175.1-171.2173-71.2-178.2-4.6108.7V108 A111 V113 M114 G142 A143 F145V108-R138 PolarHBondContact O-NH2 3.5Å; A111-R138 VanDerWaalsContact C-NH1 3.28Å; A111-R138 PolarHBondContact O-NH1 3.19Å; V113-R138 VanDerWaalsContact O-CZ 3.32Å; V113-R138 PolarHBondContact O-NE 3.37Å; M114-R138 HydrophobicContact CE-CB 4.15Å; M114-R138 VanDerWaalsContact CE-O 3.3Å; M114-R138 WeakPolarHBondContact CE-O 3.35Å; M114-R138 PolarHBondContact O-N 3.09Å; M114-R138 HydrophobicContact SD-CB 4.34Å; R138-G142 VanDerWaalsContact CD-O 3.31Å; R138-G142 WeakPolarHBondContact CD-O 3.42Å; R138-G142 WeakPolarHBondContact CG-O 3.41Å; R138-A143 PolarHBondContact NE-O 3.29Å; R138-F145 HydrophobicContact CB-CD1 3.99Å; R138-F145 HydrophobicContact CB-CE1 3.71Å; R138-F145 HydrophobicContact CB-CZ 4.28Å
139P87.6Confident84.9Confident64 Ų6466.1 Ų66.142%0.41640%0.397SS..PPolyproline II helixtrans-58144.7175.2-22.933.3000110.9G141 G142 N144P139-G141 PolarHBondContact O-N 3.06Å; P139-G141 VanDerWaalsContact O-N 3.15Å; P139-G142 PolarHBondContact O-N 2.87Å; P139-N144 VanDerWaalsContact CD-O 3.29Å; P139-N144 WeakPolarHBondContact CD-O 3.36Å
140V81.4Confident86.2Confident146 Ų14665.4 Ų65.489%0.88539%0.394SS*.THydrogen-bonded Turntrans-60.5120.3175.6-178.80000108.9G142V140-G142 VanDerWaalsContact C-N 3.29Å; V140-G142 PolarHBondContact O-N 2.74Å
141G77.8Confident87Confident89 Ų8964.3 Ų64.392%0.91839%0.385SS*.THydrogen-bonded Turntrans80.20-17500000115.3P139P139-G141 PolarHBondContact O-N 3.06Å; P139-G141 VanDerWaalsContact O-N 3.15Å
142G80.4Confident87.8Confident31 Ų3166.7 Ų66.732%0.3239%0.391SS..  trans-88.8146.7174.900000112.5R138 P139 V140R138-G142 VanDerWaalsContact CD-O 3.31Å; R138-G142 WeakPolarHBondContact CD-O 3.42Å; R138-G142 WeakPolarHBondContact CG-O 3.41Å; P139-G142 PolarHBondContact O-N 2.87Å; V140-G142 VanDerWaalsContact C-N 3.29Å; V140-G142 PolarHBondContact O-N 2.74Å
143A84.7Confident88.3Confident65 Ų6561.4 Ų61.454%0.53737%0.371SS..SBendtrans-83.8-27.1175.700000113.2R138R138-A143 PolarHBondContact NE-O 3.29Å
144N92.4Very high88.6Confident48 Ų4861.2 Ų61.226%0.25738%0.376SS..SBendtrans-111.7144.4-168.1-57.6-15.1000111.7E105 A106 P139E105-N144 HydrophobicContact CB-CB 4.33Å; E105-N144 PolarHBondContact OE2-ND2 2.95Å; A106-N144 CarbonylContact O-C 3.59Å; A106-N144 WeakPolarHBondContact O-CA 3.49Å; P139-N144 VanDerWaalsContact CD-O 3.29Å; P139-N144 WeakPolarHBondContact CD-O 3.36Å
145F93.9Very high88.7Confident0 Ų061.7 Ų61.70%038%0.378CS..EExtended strand (participates in β ladder)trans-71.1135.8157.7-64.6-75.8000109E105 A106 V108 V113 C116 A136 R138 F147E105-F145 CarbonylContact C-O 3.58Å; E105-F145 WeakPolarHBondContact CA-O 3.26Å; E105-F145 WeakPolarHBondContact CB-O 3.28Å; A106-F145 HydrophobicContact CB-CB 4.45Å; A106-F145 PolarHBondContact N-O 2.72Å; A106-F145 WeakPolarHBondContact O-CD2 3.2Å; A106-F145 PolarHBondContact O-N 3.06Å; V108-F145 HydrophobicContact CG1-CD2 4.13Å; V108-F145 HydrophobicContact CG1-CE2 3.65Å; V113-F145 HydrophobicContact CB-CZ 4.25Å; V113-F145 HydrophobicContact CG1-CZ 3.84Å; V113-F145 VanDerWaalsContact O-CZ 3.26Å; V113-F145 WeakPolarHBondContact O-CZ 3.15Å; C116-F145 HydrophobicContact CB-CD1 3.72Å; C116-F145 HydrophobicContact CB-CD2 4.01Å; C116-F145 HydrophobicContact CB-CE1 3.47Å; C116-F145 VanDerWaalsContact CB-CE1 3.47Å; C116-F145 HydrophobicContact CB-CE2 3.77Å; C116-F145 HydrophobicContact CB-CG 3.99Å; C116-F145 HydrophobicContact CB-CZ 3.52Å; A136-F145 HydrophobicContact CB-CB 4.1Å; A136-F145 HydrophobicContact CB-CD1 4.19Å; R138-F145 HydrophobicContact CB-CD1 3.99Å; R138-F145 HydrophobicContact CB-CE1 3.71Å; R138-F145 HydrophobicContact CB-CZ 4.28Å; F145-F147 HydrophobicContact CB-CE2 3.81Å; F145-F147 HydrophobicContact CB-CZ 3.87Å
146V93.1Very high88.8Confident72 Ų7259.7 Ų59.744%0.43637%0.374SS..EExtended strand (participates in β ladder)trans-116.3128.7174.9-178.20000108.5
147F92.1Very high88.9Confident11 Ų1161.8 Ų61.85%0.04838%0.384CS..  trans-110.8127.1-177-57.1-91000109.8L103 V104 A106 V118 V134 A136 F145L103-F147 HydrophobicContact CB-CB 3.65Å; L103-F147 HydrophobicContact CB-CD1 4.31Å; L103-F147 HydrophobicContact CB-CD2 3.69Å; L103-F147 HydrophobicContact CB-CE2 4.43Å; L103-F147 HydrophobicContact CB-CG 3.62Å; L103-F147 HydrophobicContact CD1-CD1 4.09Å; L103-F147 HydrophobicContact CD1-CE1 4.28Å; L103-F147 HydrophobicContact CD1-CG 4.24Å; L103-F147 WeakPolarHBondContact O-CB 3.47Å; V104-F147 PolarHBondContact O-N 3.44Å; A106-F147 HydrophobicContact CB-CE2 3.76Å; A106-F147 HydrophobicContact CB-CZ 4.31Å; V118-F147 HydrophobicContact CB-CE1 4.42Å; V118-F147 HydrophobicContact CG2-CE1 3.5Å; V118-F147 VanDerWaalsContact CG2-CE1 3.5Å; V118-F147 HydrophobicContact CG2-CE2 4.5Å; V118-F147 HydrophobicContact CG2-CZ 3.46Å; V118-F147 VanDerWaalsContact CG2-CZ 3.46Å; V134-F147 HydrophobicContact CB-CD1 4.4Å; V134-F147 HydrophobicContact CG1-CD1 3.85Å; A136-F147 HydrophobicContact CB-CD1 3.56Å; A136-F147 HydrophobicContact CB-CE1 3.39Å; A136-F147 HydrophobicContact CB-CG 4.23Å; A136-F147 HydrophobicContact CB-CZ 3.96Å; F145-F147 HydrophobicContact CB-CE2 3.81Å; F145-F147 HydrophobicContact CB-CZ 3.87Å
148N82.8Confident88.8Confident154 Ų15459.5 Ų59.582%0.82438%0.38SS*.  trans-104-9.9-174.9-66.6-28.9000113.4
149Q86.5Confident88.6Confident128 Ų12863.8 Ų63.860%0.59840%0.4SS*.  trans-110.4123.8-171.5-170.3174.45.200112V134V134-Q149 HydrophobicContact CG1-CB 4.38Å
150P93Very high88.7Confident52 Ų5260.7 Ų60.734%0.33838%0.38SS..  trans-70.2142.916927.3-31.7000111.3V100 V101 R102V100-P150 HydrophobicContact CG1-CB 3.98Å; V101-P150 WeakPolarHBondContact O-CA 3.05Å; R102-P150 HydrophobicContact CG-CB 3.76Å
151V91.2Very high88.9Confident8 Ų855.9 Ų55.95%0.04835%0.351CS..EExtended strand (participates in β ladder)trans-96.4136.8166.9-179.20000109.1V100 V101 V120 R132 V134 F153V100-V151 WeakPolarHBondContact CA-O 3.45Å; V101-V151 HydrophobicContact CB-CB 4.33Å; V101-V151 PolarHBondContact N-O 2.83Å; V101-V151 PolarHBondContact O-N 3.16Å; V120-V151 HydrophobicContact CB-CG1 4.34Å; V120-V151 HydrophobicContact CB-CG2 4.45Å; V120-V151 HydrophobicContact CG1-CG1 4.33Å; V120-V151 HydrophobicContact CG2-CG2 4.06Å; R132-V151 HydrophobicContact CB-CG1 3.34Å; R132-V151 HydrophobicContact CB-CG2 4.48Å; R132-V151 HydrophobicContact CG-CG1 3.56Å; V134-V151 HydrophobicContact CG2-CG2 3.19Å; V151-F153 HydrophobicContact CB-CE2 4.4Å; V151-F153 HydrophobicContact CG1-CD2 4.21Å; V151-F153 HydrophobicContact CG1-CE1 4.32Å; V151-F153 HydrophobicContact CG1-CE2 3.45Å; V151-F153 VanDerWaalsContact CG1-CE2 3.45Å; V151-F153 HydrophobicContact CG1-CZ 3.52Å
152K93.7Very high89Confident87 Ų8761 Ų6138%0.37834%0.343SS..EExtended strand (participates in β ladder)trans-123.3138.7178.4-58.6-169.2177.6-173.20112.1F99 V100F99-K152 CarbonylContact O-C 3.54Å; F99-K152 VanDerWaalsContact O-CA 3.3Å; F99-K152 WeakPolarHBondContact O-CA 3.43Å; V100-K152 HydrophobicContact CG1-CG 4.41Å; V100-K152 HydrophobicContact CG2-CD 4.42Å; V100-K152 HydrophobicContact CG2-CG 4.17Å
153F89.3Confident89.2Confident2 Ų261 Ų611%0.00933%0.333CS..EExtended strand (participates in β ladder)trans-124.3117175.4-58.7-82.7000109.8D98 F99 V101 V120 L122 S130 R132 V151 I155D98-F153 WeakPolarHBondContact CA-O 3.41Å; F99-F153 HydrophobicContact CB-CB 4.28Å; F99-F153 HydrophobicContact CD1-CB 4.35Å; F99-F153 AromaticContact CD1-CD2 3.62Å; F99-F153 HydrophobicContact CD1-CD2 3.62Å; F99-F153 HydrophobicContact CD1-CE2 4.37Å; F99-F153 HydrophobicContact CD1-CG 4.35Å; F99-F153 HydrophobicContact CE1-CD2 4.18Å; F99-F153 PolarHBondContact N-O 3.07Å; F99-F153 PolarHBondContact O-N 3.4Å; V101-F153 HydrophobicContact CG2-CD2 4.45Å; V101-F153 HydrophobicContact CG2-CE2 4.1Å; V120-F153 HydrophobicContact CB-CZ 4.18Å; V120-F153 HydrophobicContact CG1-CE2 3.74Å; V120-F153 HydrophobicContact CG1-CZ 3.72Å; V120-F153 WeakPolarHBondContact O-CZ 2.92Å; L122-F153 HydrophobicContact CD1-CB 3.78Å; L122-F153 HydrophobicContact CD1-CD1 4.07Å; L122-F153 HydrophobicContact CD1-CD2 4.23Å; L122-F153 HydrophobicContact CD1-CG 3.77Å; L122-F153 HydrophobicContact CG-CD1 4.34Å; L122-F153 HydrophobicContact CG-CD2 4.41Å; L122-F153 HydrophobicContact CG-CG 4.26Å; S130-F153 WeakPolarHBondContact OG-CD1 3.27Å; S130-F153 WeakPolarHBondContact OG-CE1 3.4Å; R132-F153 HydrophobicContact CB-CE1 4.29Å; R132-F153 HydrophobicContact CB-CZ 4.22Å; R132-F153 HydrophobicContact CG-CD1 4.34Å; R132-F153 HydrophobicContact CG-CE1 3.67Å; R132-F153 HydrophobicContact CG-CZ 4Å; V151-F153 HydrophobicContact CB-CE2 4.4Å; V151-F153 HydrophobicContact CG1-CD2 4.21Å; V151-F153 HydrophobicContact CG1-CE1 4.32Å; V151-F153 HydrophobicContact CG1-CE2 3.45Å; V151-F153 VanDerWaalsContact CG1-CE2 3.45Å; V151-F153 HydrophobicContact CG1-CZ 3.52Å; F153-I155 HydrophobicContact CB-CG2 4.33Å; F153-I155 PolarHBondContact O-N 3.02Å; F153-I155 VanDerWaalsContact O-N 3.1Å
154P91.7Very high89.3Confident99 Ų9961.3 Ų61.364%0.64332%0.322SS*.EExtended strand (participates in β ladder)trans-76.697.5176.330.5-32.3000109.2D98D98-P154 WeakPolarHBondContact OD1-CA 3.46Å
155I88.8Confident89.4Confident16 Ų1659 Ų598%0.08231%0.31CS..  trans-148.1131.6-176.3-174.9171.4000110.1Y92 S97 F99 L122 F153 E159 L160 R163Y92-I155 VanDerWaalsContact CE2-O 3.26Å; Y92-I155 WeakPolarHBondContact CE2-O 3.21Å; Y92-I155 PolarHBondContact OH-O 3.31Å; S97-I155 CarbonylContact O-C 3.53Å; S97-I155 PolarHBondContact O-N 2.91Å; S97-I155 VanDerWaalsContact O-O 3.05Å; F99-I155 HydrophobicContact CB-CG2 3.96Å; L122-I155 HydrophobicContact CD1-CD1 4.35Å; L122-I155 HydrophobicContact CD1-CG2 4.28Å; F153-I155 HydrophobicContact CB-CG2 4.33Å; F153-I155 PolarHBondContact O-N 3.02Å; F153-I155 VanDerWaalsContact O-N 3.1Å; I155-E159 HydrophobicContact CD1-CB 4.1Å; I155-E159 HydrophobicContact CG1-CB 3.98Å; I155-L160 HydrophobicContact CG2-CB 4.31Å; I155-L160 HydrophobicContact CG2-CD1 3.77Å; I155-R163 HydrophobicContact CD1-CG 4.07Å
156P92.2Very high89.1Confident64 Ų6459.7 Ų59.742%0.41631%0.313SS..  trans-59.9142.6175.1-23.634.3000112.8Y92 G158 E159 L160Y92-P156 WeakPolarHBondContact OH-CA 3.44Å; P156-G158 PolarHBondContact O-N 2.86Å; P156-G158 VanDerWaalsContact O-N 3.16Å; P156-E159 PolarHBondContact O-N 2.99Å; P156-L160 PolarHBondContact O-N 3.43Å
157I92.2Very high89.2Confident52 Ų5256.3 Ų56.327%0.26729%0.293SS..Hα-helixtrans-57.1-35.7-176.6-170.859.2000112.9Y92 F94 E159 L160 V161Y92-I157 HydrophobicContact CD1-CB 4.26Å; Y92-I157 HydrophobicContact CD1-CD1 4.07Å; Y92-I157 HydrophobicContact CD1-CG1 4.45Å; Y92-I157 HydrophobicContact CD2-CD1 3.93Å; Y92-I157 HydrophobicContact CE1-CB 3.74Å; Y92-I157 HydrophobicContact CE1-CD1 4.35Å; Y92-I157 HydrophobicContact CE1-CG1 4.41Å; Y92-I157 HydrophobicContact CE2-CB 4.31Å; Y92-I157 HydrophobicContact CE2-CD1 4.22Å; Y92-I157 HydrophobicContact CG-CD1 3.85Å; Y92-I157 PolarHBondContact OH-N 2.87Å; F94-I157 HydrophobicContact CE1-CB 4.38Å; F94-I157 HydrophobicContact CE1-CG1 4.2Å; F94-I157 HydrophobicContact CE1-CG2 4.29Å; I157-E159 VanDerWaalsContact C-N 3.28Å; I157-E159 PolarHBondContact O-N 2.8Å; I157-L160 HydrophobicContact CD1-CD2 3.97Å; I157-L160 PolarHBondContact O-N 2.91Å; I157-V161 PolarHBondContact O-N 3.47Å
158G88.8Confident88.9Confident50 Ų5055.8 Ų55.852%0.51529%0.29SS..Hα-helixtrans-68.4-24.2178.900000114.3P156 V161P156-G158 PolarHBondContact O-N 2.86Å; P156-G158 VanDerWaalsContact O-N 3.16Å; G158-V161 WeakPolarHBondContact O-CG2 3.46Å
159E87.9Confident89.4Confident101 Ų10148.4 Ų48.447%0.47225%0.251SS..Hα-helixtrans-87.9-33.5173-68178.7-150.600111.4I155 P156 I157 V161 R162 R163I155-E159 HydrophobicContact CD1-CB 4.1Å; I155-E159 HydrophobicContact CG1-CB 3.98Å; P156-E159 PolarHBondContact O-N 2.99Å; I157-E159 VanDerWaalsContact C-N 3.28Å; I157-E159 PolarHBondContact O-N 2.8Å; E159-V161 PolarHBondContact O-N 2.96Å; E159-R162 PolarHBondContact O-N 2.82Å; E159-R163 WeakPolarHBondContact O-CG 3.35Å
160L89.6Confident89.4Confident0 Ų042.5 Ų42.50%022%0.223CC..Hα-helixtrans-60.7-42.7-178.7-175.966.6000112.8Y92 F99 L122 I155 P156 I157 R162 R163 L186 P191Y92-L160 HydrophobicContact CD2-CD2 3.54Å; Y92-L160 HydrophobicContact CE2-CD2 3.86Å; F99-L160 HydrophobicContact CB-CD1 3.88Å; F99-L160 HydrophobicContact CB-CD2 3.79Å; F99-L160 HydrophobicContact CD1-CD1 3.71Å; F99-L160 HydrophobicContact CD2-CD1 4.37Å; F99-L160 HydrophobicContact CD2-CD2 3.87Å; F99-L160 HydrophobicContact CE1-CD1 4.28Å; F99-L160 HydrophobicContact CG-CD1 3.73Å; F99-L160 HydrophobicContact CG-CD2 3.86Å; F99-L160 HydrophobicContact CG-CG 4.46Å; L122-L160 HydrophobicContact CD1-CD1 4.27Å; L122-L160 HydrophobicContact CD2-CD1 4.34Å; I155-L160 HydrophobicContact CG2-CB 4.31Å; I155-L160 HydrophobicContact CG2-CD1 3.77Å; P156-L160 PolarHBondContact O-N 3.43Å; I157-L160 HydrophobicContact CD1-CD2 3.97Å; I157-L160 PolarHBondContact O-N 2.91Å; L160-R162 PolarHBondContact O-N 2.87Å; L160-R163 WeakPolarHBondContact O-CB 3.17Å; L160-R163 PolarHBondContact O-N 2.84Å; L160-L186 HydrophobicContact CD1-CD1 3.41Å; L160-L186 VanDerWaalsContact CD1-CD1 3.41Å; L160-L186 HydrophobicContact CG-CD1 3.89Å; L160-P191 HydrophobicContact CD2-CB 4.29Å; L160-P191 HydrophobicContact CD2-CG 3.92Å
161V85.2Confident89.1Confident45 Ų4540.1 Ų40.127%0.27321%0.208SC..THydrogen-bonded Turntrans-63.3-11.1-178.2-65.30000114.1I157 G158 E159I157-V161 PolarHBondContact O-N 3.47Å; G158-V161 WeakPolarHBondContact O-CG2 3.46Å; E159-V161 PolarHBondContact O-N 2.96Å
162R79.9Confident88.5Confident196 Ų19641.7 Ų41.774%0.7422%0.215SC*.THydrogen-bonded Turntrans-98.8-1.9175.6-61.8178.8-180-99.8-1.9113E159 L160E159-R162 PolarHBondContact O-N 2.82Å; L160-R162 PolarHBondContact O-N 2.87Å
163R84.8Confident87.4Confident31 Ų3141.6 Ų41.612%0.11722%0.216CC..PPolyproline II helixtrans-95.4158-175.6-53.9-63.8171.7155.9-27.1111.2L122 Q123 D124 T129 I155 E159 L160 L186L122-R163 HydrophobicContact CD2-CB 4.36Å; Q123-R163 CarbonylContact O-C 3.35Å; Q123-R163 WeakPolarHBondContact O-CA 3.23Å; Q123-R163 WeakPolarHBondContact O-CB 3.37Å; Q123-R163 WeakPolarHBondContact O-CD 3.25Å; D124-R163 VanDerWaalsContact CB-CZ 3.4Å; D124-R163 IonicContact OD2-CZ 2.63Å; D124-R163 IonicContact OD2-NE 3.52Å; D124-R163 IonicContact OD2-NH1 2.72Å; D124-R163 IonicContact OD2-NH2 3.78Å; D124-R163 PolarHBondContact OD2-NH2 3.24Å; T129-R163 VanDerWaalsContact CB-NH1 3.28Å; T129-R163 PolarHBondContact OG1-NH1 2.79Å; I155-R163 HydrophobicContact CD1-CG 4.07Å; E159-R163 WeakPolarHBondContact O-CG 3.35Å; L160-R163 WeakPolarHBondContact O-CB 3.17Å; L160-R163 PolarHBondContact O-N 2.84Å; R163-L186 HydrophobicContact CB-CD1 4.17Å; R163-L186 VanDerWaalsContact O-CB 3.32Å; R163-L186 WeakPolarHBondContact O-CB 3.25Å; R163-L186 WeakPolarHBondContact O-CG 3.38Å; R163-L186 PolarHBondContact O-N 2.85Å
164K86.7Confident86.1Confident71 Ų7148 Ų4831%0.30926%0.258SS..EExtended strand (participates in β ladder)trans-103.9139.5162.9-65-177.1171.6-169.50109.8L122 Q123 E183 L184L122-K164 WeakPolarHBondContact CA-O 3.29Å; Q123-K164 PolarHBondContact N-O 2.83Å; Q123-K164 PolarHBondContact O-N 3.38Å; K164-E183 HydrophobicContact CD-CG 4.24Å; K164-E183 WeakPolarHBondContact CD-OE1 3.34Å; K164-E183 WeakPolarHBondContact CE-OE1 2.97Å; K164-E183 IonicContact NZ-OE1 3.16Å; K164-E183 PolarHBondContact NZ-OE1 3.24Å; K164-L184 CarbonylContact C-O 3.55Å; K164-L184 WeakPolarHBondContact CA-O 3.13Å
165L93.3Very high85Confident0 Ų051.1 Ų51.10%026%0.262CS..EExtended strand (participates in β ladder)trans-93.1120.6168.8174.763.7000109L88 L90 F99 V101 V120 L122 L167 E183 L184 L186L88-L165 HydrophobicContact CD1-CD2 4.16Å; L90-L165 HydrophobicContact CD2-CD2 3.69Å; F99-L165 HydrophobicContact CE1-CD1 4.25Å; F99-L165 HydrophobicContact CE1-CD2 4.36Å; F99-L165 HydrophobicContact CZ-CD2 4.05Å; V101-L165 HydrophobicContact CG1-CD2 4.28Å; V101-L165 HydrophobicContact CG2-CD1 4.26Å; V101-L165 HydrophobicContact CG2-CD2 3.98Å; V120-L165 HydrophobicContact CG1-CD1 3.56Å; L122-L165 HydrophobicContact CD2-CB 4.48Å; L122-L165 HydrophobicContact CD2-CD1 4.26Å; L165-L167 HydrophobicContact CD1-CD2 4.14Å; L165-L167 HydrophobicContact CD2-CD2 4.37Å; L165-L167 HydrophobicContact CG-CD2 4.14Å; L165-E183 WeakPolarHBondContact O-CA 3.24Å; L165-L184 HydrophobicContact CB-CB 4.29Å; L165-L184 HydrophobicContact CD2-CD1 4.18Å; L165-L184 PolarHBondContact N-O 2.93Å; L165-L184 PolarHBondContact O-N 2.87Å; L165-L186 HydrophobicContact CB-CD1 4.42Å; L165-L186 HydrophobicContact CB-CD2 3.86Å; L165-L186 HydrophobicContact CB-CG 4.22Å
166H89.1Confident84.3Confident15 Ų1553.8 Ų53.87%0.06928%0.276CS..EExtended strand (participates in β ladder)trans-109.1132.1175.8-74.3-111.7000109.8V120 S121 Q123 V182 E183V120-H166 WeakPolarHBondContact CA-O 3.36Å; S121-H166 PolarHBondContact N-O 2.89Å; S121-H166 PolarHBondContact O-N 2.85Å; Q123-H166 PolarHBondContact OE1-CE1 2.89Å; Q123-H166 VanDerWaalsContact OE1-CE1 3.32Å; Q123-H166 PolarHBondContact OE1-NE2 2.91Å; Q123-H166 VanDerWaalsContact OE1-NE2 3.13Å; H166-V182 CarbonylContact C-O 3.6Å; H166-V182 WeakPolarHBondContact CA-O 3.33Å; H166-E183 IonicContact CE1-OE2 3.91Å
167L93.4Very high83.8Confident0 Ų055.9 Ų55.90%028%0.28CS..EExtended strand (participates in β ladder)trans-118.4120.1173.1-48.1177000108.1I86 L88 L103 V118 V119 V120 L165 A181 V182I86-L167 HydrophobicContact CD1-CD1 4.1Å; I86-L167 HydrophobicContact CG2-CD1 4.41Å; L88-L167 HydrophobicContact CD1-CD1 3.88Å; L88-L167 HydrophobicContact CD2-CD1 4.22Å; L103-L167 HydrophobicContact CD2-CD1 4.14Å; L103-L167 HydrophobicContact CD2-CD2 4.31Å; V118-L167 HydrophobicContact CG1-CB 4.17Å; V119-L167 WeakPolarHBondContact O-CA 3.34Å; V120-L167 HydrophobicContact CB-CD2 4.11Å; V120-L167 HydrophobicContact CG1-CD2 3.72Å; V120-L167 HydrophobicContact CG2-CD2 3.86Å; L165-L167 HydrophobicContact CD1-CD2 4.14Å; L165-L167 HydrophobicContact CD2-CD2 4.37Å; L165-L167 HydrophobicContact CG-CD2 4.14Å; L167-A181 CarbonylContact O-C 3.55Å; L167-A181 WeakPolarHBondContact O-CA 3.25Å; L167-A181 WeakPolarHBondContact O-CB 3.37Å; L167-V182 HydrophobicContact CB-CB 4.15Å; L167-V182 HydrophobicContact CD1-CB 4.17Å; L167-V182 HydrophobicContact CD1-CG1 4.39Å; L167-V182 HydrophobicContact CG-CB 4.36Å; L167-V182 PolarHBondContact N-O 3.18Å; L167-V182 PolarHBondContact O-N 3.01Å
168N87.6Confident83.3Confident0 Ų054.9 Ų54.90%027%0.274CS..EExtended strand (participates in β ladder)trans-111.2119.2175.9-66.6-55.4000109.5V118 V119 S209 E210 T211V118-N168 CarbonylContact C-O 3.53Å; V118-N168 VanDerWaalsContact CA-O 3.29Å; V118-N168 WeakPolarHBondContact CA-O 3.25Å; V119-N168 HydrophobicContact CB-CB 4.33Å; V119-N168 PolarHBondContact N-O 2.75Å; V119-N168 PolarHBondContact O-N 3.4Å; N168-S209 WeakPolarHBondContact OD1-CB 3.45Å; N168-S209 PolarHBondContact OD1-OG 3.36Å; N168-E210 PolarHBondContact ND2-O 3.21Å; N168-T211 HydrophobicContact CB-CG2 3.31Å
169L92.1Very high83.3Confident0 Ų052.5 Ų52.50%025%0.249CC..EExtended strand (participates in β ladder)trans-97.3131.9179.6-67.583.9000109.9A106 V108 V118 L179 G180 I201A106-L169 HydrophobicContact CB-CD2 4.21Å; V108-L169 HydrophobicContact CB-CD2 4.47Å; V108-L169 HydrophobicContact CG1-CD2 4.39Å; V118-L169 HydrophobicContact CG2-CG 4.1Å; L169-L179 HydrophobicContact CB-CB 4.09Å; L169-L179 WeakPolarHBondContact O-CB 3.44Å; L169-L179 PolarHBondContact O-N 3.37Å; L169-G180 PolarHBondContact N-O 2.9Å; L169-I201 HydrophobicContact CD1-CG1 4.39Å; L169-I201 HydrophobicContact CD1-CG2 4.13Å; L169-I201 HydrophobicContact CD2-CD1 3.68Å; L169-I201 HydrophobicContact CD2-CG1 4.41Å
170I85.9Confident83.4Confident3 Ų347.7 Ų47.72%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-133.3130.4-168.9-64.1170000108.8C116 R117 V119 N176 Q177 T211 E214C116-I170 CarbonylContact C-O 3.59Å; C116-I170 VanDerWaalsContact CA-O 3.27Å; C116-I170 WeakPolarHBondContact CA-O 3.24Å; R117-I170 HydrophobicContact CB-CB 4.21Å; R117-I170 HydrophobicContact CB-CG2 4.44Å; R117-I170 PolarHBondContact N-O 3.01Å; R117-I170 WeakPolarHBondContact O-CB 3.41Å; R117-I170 PolarHBondContact O-N 2.84Å; V119-I170 HydrophobicContact CG2-CD1 3.91Å; I170-N176 HydrophobicContact CG2-CB 4.2Å; I170-Q177 WeakPolarHBondContact CA-O 3.29Å; I170-T211 HydrophobicContact CD1-CG2 3.82Å; I170-T211 WeakPolarHBondContact CD1-OG1 3.32Å; I170-E214 WeakPolarHBondContact CB-OE1 3.04Å; I170-E214 WeakPolarHBondContact CD1-OE1 3.21Å; I170-E214 WeakPolarHBondContact CG1-OE1 3.16Å; I170-E214 WeakPolarHBondContact CG1-OE2 3.49Å; I170-E214 WeakPolarHBondContact CG2-OE1 3.33Å
171S87.5Confident83.5Confident2 Ų248.3 Ų48.31%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-76146.2166.572.40000110.8R115 K175 N176 Q177R115-S171 WeakPolarHBondContact O-CA 3.43Å; S171-K175 PolarHBondContact OG-O 2.92Å; S171-N176 VanDerWaalsContact O-CA 3.25Å; S171-N176 WeakPolarHBondContact O-CA 3.46Å; S171-Q177 PolarHBondContact N-O 2.81Å; S171-Q177 PolarHBondContact O-N 2.84Å; S171-Q177 WeakPolarHBondContact OG-CB 3.34Å; S171-Q177 PolarHBondContact OG-N 2.96Å; S171-Q177 PolarHBondContact OG-O 3.16Å
172M77.7Confident83.9Confident42 Ų4246.5 Ų46.521%0.20722%0.222CC..  trans-106.510.6178.1-59.3179.467.300113.3R115 R117 E135R115-M172 HydrophobicContact CB-CB 3.93Å; R115-M172 HydrophobicContact CB-CG 4.46Å; R115-M172 HydrophobicContact CB-SD 4.49Å; R115-M172 PolarHBondContact O-N 2.87Å; R117-M172 HydrophobicContact CB-CG 4.1Å; R117-M172 HydrophobicContact CB-SD 3.95Å; E135-M172 HydrophobicContact CB-SD 4.48Å; E135-M172 HydrophobicContact CG-SD 4.07Å
173E71.5Confident84.3Confident84 Ų8439.6 Ų39.639%0.39320%0.197SC..SBendtrans-146.5132.9-171.2-67.7-177.4152.300111.8R115R115-E173 HydrophobicContact CB-CG 4.42Å; R115-E173 IonicContact CZ-OE1 3.26Å; R115-E173 IonicContact NE-OE1 3.64Å; R115-E173 PolarHBondContact NE-OE1 3.29Å; R115-E173 IonicContact NH1-OE1 2.73Å; R115-E173 IonicContact NH2-OE1 2.71Å; R115-E173 PolarHBondContact NH2-OE1 2.63Å
174P62.7Low84.6Confident138 Ų13838.1 Ų38.190%0.89619%0.192SC*.SBendcis-75.5-8.8-20.232.2-34.4000113
175K68.8Low84.6Confident164 Ų16437.2 Ų37.271%0.71319%0.19SC*.SBendtrans-133157.8178.1-68.4-179.4-179.7176.10108.7S171 Q177S171-K175 PolarHBondContact OG-O 2.92Å; K175-Q177 PolarHBondContact O-N 2.85Å; K175-Q177 VanDerWaalsContact O-N 3.09Å
176N73.3Confident84.4Confident72 Ų7237.2 Ų37.239%0.38519%0.19SC..  trans-67.4106.5170.9-62.5-1.7000109I170 S171 E214I170-N176 HydrophobicContact CG2-CB 4.2Å; S171-N176 VanDerWaalsContact O-CA 3.25Å; S171-N176 WeakPolarHBondContact O-CA 3.46Å; N176-E214 HydrophobicContact CB-CG 3.77Å; N176-E214 WeakPolarHBondContact CB-OE1 3.21Å
177Q81.1Confident84.3Confident107 Ų10742.3 Ų42.350%0.522%0.218SC..EExtended strand (participates in β ladder)trans-120.2130.3177.4-176.4-175.728.100110I170 S171 K175 L179 E214I170-Q177 WeakPolarHBondContact CA-O 3.29Å; S171-Q177 PolarHBondContact N-O 2.81Å; S171-Q177 PolarHBondContact O-N 2.84Å; S171-Q177 WeakPolarHBondContact OG-CB 3.34Å; S171-Q177 PolarHBondContact OG-N 2.96Å; S171-Q177 PolarHBondContact OG-O 3.16Å; K175-Q177 PolarHBondContact O-N 2.85Å; K175-Q177 VanDerWaalsContact O-N 3.09Å; Q177-L179 PolarHBondContact O-N 3Å; Q177-E214 VanDerWaalsContact C-OE2 3.28Å
178F82.2Confident83.8Confident31 Ų3148.9 Ų48.914%0.13625%0.248CC..EExtended strand (participates in β ladder)trans-64120175.7178.2-110.8000110.5G180 A181 R203 E214F178-G180 WeakPolarHBondContact CE2-O 3.29Å; F178-G180 WeakPolarHBondContact CZ-O 3.41Å; F178-A181 HydrophobicContact CE2-CB 4.06Å; F178-A181 HydrophobicContact CZ-CB 3.76Å; F178-R203 HydrophobicContact CD1-CG 4.31Å; F178-R203 HydrophobicContact CE1-CG 4.14Å; F178-E214 WeakPolarHBondContact CA-OE2 3.32Å; F178-E214 WeakPolarHBondContact CB-OE2 3.4Å; F178-E214 PolarHBondContact N-OE2 2.7Å
179L89.5Confident83.9Confident0 Ų049.2 Ų49.20%025%0.25CS..EExtended strand (participates in β ladder)trans-90.8-40.1-179.8-61.7177.1000111.4V83 V108 V113 L169 Q177 R203V83-L179 WeakPolarHBondContact CG2-O 3.25Å; V108-L179 HydrophobicContact CG1-CD1 3.98Å; V108-L179 HydrophobicContact CG2-CB 3.9Å; V113-L179 HydrophobicContact CG1-CD1 4.01Å; V113-L179 HydrophobicContact CG2-CD1 4.43Å; V113-L179 HydrophobicContact CG2-CD2 3.87Å; L169-L179 HydrophobicContact CB-CB 4.09Å; L169-L179 WeakPolarHBondContact O-CB 3.44Å; L169-L179 PolarHBondContact O-N 3.37Å; Q177-L179 PolarHBondContact O-N 3Å; L179-R203 WeakPolarHBondContact O-CD 3.18Å
180G90Very high83.7Confident0 Ų051.4 Ų51.40%026%0.262CS..EExtended strand (participates in β ladder)trans161.6176.5-176.900000111.4L169 F178 E202L169-G180 PolarHBondContact N-O 2.9Å; F178-G180 WeakPolarHBondContact CE2-O 3.29Å; F178-G180 WeakPolarHBondContact CZ-O 3.41Å; G180-E202 CarbonylContact C-O 3.57Å; G180-E202 VanDerWaalsContact CA-O 3.24Å; G180-E202 WeakPolarHBondContact CA-O 3.49Å
181A90.8Very high83.9Confident14 Ų1451.2 Ų51.212%0.11626%0.261CS..EExtended strand (participates in β ladder)trans-143.1160.8-17600000114L167 F178 E202 S209L167-A181 CarbonylContact O-C 3.55Å; L167-A181 WeakPolarHBondContact O-CA 3.25Å; L167-A181 WeakPolarHBondContact O-CB 3.37Å; F178-A181 HydrophobicContact CE2-CB 4.06Å; F178-A181 HydrophobicContact CZ-CB 3.76Å; A181-E202 PolarHBondContact N-O 3.37Å; A181-E202 PolarHBondContact O-N 2.83Å; A181-S209 WeakPolarHBondContact CB-OG 3.11Å
182V92.9Very high84.1Confident7 Ų753.6 Ų53.64%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-130.5136.3173.5177.90000109I86 H166 L167 L184 A199 I201I86-V182 HydrophobicContact CG2-CB 4.46Å; I86-V182 HydrophobicContact CG2-CG2 3.6Å; H166-V182 CarbonylContact C-O 3.6Å; H166-V182 WeakPolarHBondContact CA-O 3.33Å; L167-V182 HydrophobicContact CB-CB 4.15Å; L167-V182 HydrophobicContact CD1-CB 4.17Å; L167-V182 HydrophobicContact CD1-CG1 4.39Å; L167-V182 HydrophobicContact CG-CB 4.36Å; L167-V182 PolarHBondContact N-O 3.18Å; L167-V182 PolarHBondContact O-N 3.01Å; V182-L184 HydrophobicContact CG1-CD2 3.61Å; V182-L184 HydrophobicContact CG1-CG 4Å; V182-A199 HydrophobicContact CG1-CB 3.53Å; V182-A199 HydrophobicContact CG2-CB 4.34Å; V182-I201 HydrophobicContact CG2-CB 4.42Å; V182-I201 HydrophobicContact CG2-CG1 3.98Å
183E89.1Confident84.5Confident50 Ų5052 Ų5223%0.23427%0.271CS..EExtended strand (participates in β ladder)trans-123.7117.3176.1177.7-177.9151.400108.2Q75 K164 L165 H166 R207Q75-E183 PolarHBondContact NE2-O 3.44Å; K164-E183 HydrophobicContact CD-CG 4.24Å; K164-E183 WeakPolarHBondContact CD-OE1 3.34Å; K164-E183 WeakPolarHBondContact CE-OE1 2.97Å; K164-E183 IonicContact NZ-OE1 3.16Å; K164-E183 PolarHBondContact NZ-OE1 3.24Å; L165-E183 WeakPolarHBondContact O-CA 3.24Å; H166-E183 IonicContact CE1-OE2 3.91Å; E183-R207 IonicContact OE2-CZ 3.85Å; E183-R207 IonicContact OE2-NH1 2.87Å; E183-R207 PolarHBondContact OE2-NH1 2.77Å; E183-R207 IonicContact OE2-NH2 3.41Å
184L90.7Very high85.5Confident0 Ų050.7 Ų50.70%027%0.267CS..EExtended strand (participates in β ladder)trans-113.3123.6176.6-49.4-175.7000109.2L88 L90 K164 L165 V182 L186 V197 A199L88-L184 HydrophobicContact CD1-CD1 3.94Å; L88-L184 HydrophobicContact CD2-CD1 4.41Å; L90-L184 HydrophobicContact CD1-CD1 4.01Å; K164-L184 CarbonylContact C-O 3.55Å; K164-L184 WeakPolarHBondContact CA-O 3.13Å; L165-L184 HydrophobicContact CB-CB 4.29Å; L165-L184 HydrophobicContact CD2-CD1 4.18Å; L165-L184 PolarHBondContact N-O 2.93Å; L165-L184 PolarHBondContact O-N 2.87Å; V182-L184 HydrophobicContact CG1-CD2 3.61Å; V182-L184 HydrophobicContact CG1-CG 4Å; L184-L186 PolarHBondContact O-N 3.29Å; L184-V197 HydrophobicContact CD1-CB 4.49Å; L184-V197 HydrophobicContact CD1-CG1 4.18Å; L184-V197 HydrophobicContact CD2-CG1 4.2Å; L184-A199 HydrophobicContact CD2-CB 4.12Å
185D86.8Confident86.9Confident52 Ų5244.2 Ų44.228%0.27823%0.225SC..EExtended strand (participates in β ladder)trans-73.9120.4166.3-165.1-32.5000108.8L187 E188 N189D185-L187 PolarHBondContact O-N 3.02Å; D185-L187 WeakPolarHBondContact OD1-CB 3.27Å; D185-L187 PolarHBondContact OD1-N 3.28Å; D185-E188 HydrophobicContact CB-CB 4.44Å; D185-E188 HydrophobicContact CB-CG 4.3Å; D185-E188 PolarHBondContact O-N 3.47Å; D185-N189 WeakPolarHBondContact O-CB 3.43Å; D185-N189 PolarHBondContact O-N 2.94Å; D185-N189 PolarHBondContact O-ND2 2.81Å
186L90.5Very high88.1Confident0 Ų037.3 Ų37.30%020%0.195CC..THydrogen-bonded Turntrans-76.8-9.1-178.6-61.8-176.6000112.9L90 F99 L122 L160 R163 L165 L184 P191L90-L186 HydrophobicContact CD1-CD2 4.19Å; F99-L186 HydrophobicContact CE1-CD1 4.08Å; F99-L186 HydrophobicContact CZ-CD1 4.15Å; F99-L186 HydrophobicContact CZ-CD2 4.01Å; L122-L186 HydrophobicContact CD2-CD1 3.8Å; L160-L186 HydrophobicContact CD1-CD1 3.41Å; L160-L186 VanDerWaalsContact CD1-CD1 3.41Å; L160-L186 HydrophobicContact CG-CD1 3.89Å; R163-L186 HydrophobicContact CB-CD1 4.17Å; R163-L186 VanDerWaalsContact O-CB 3.32Å; R163-L186 WeakPolarHBondContact O-CB 3.25Å; R163-L186 WeakPolarHBondContact O-CG 3.38Å; R163-L186 PolarHBondContact O-N 2.85Å; L165-L186 HydrophobicContact CB-CD1 4.42Å; L165-L186 HydrophobicContact CB-CD2 3.86Å; L165-L186 HydrophobicContact CB-CG 4.22Å; L184-L186 PolarHBondContact O-N 3.29Å; L186-P191 HydrophobicContact CD2-CG 4.2Å
187L85.8Confident89.1Confident123 Ų12333.9 Ų33.964%0.64418%0.177SC*.THydrogen-bonded Turntrans-70.8-37.3166.3-17263.2000111.3D185D185-L187 PolarHBondContact O-N 3.02Å; D185-L187 WeakPolarHBondContact OD1-CB 3.27Å; D185-L187 PolarHBondContact OD1-N 3.28Å
188E83.9Confident89.8Confident137 Ų13729.4 Ų29.464%0.6416%0.158SC*.THydrogen-bonded Turntrans-89-28.5179.7-60.6-170.2160.600112.7D185D185-E188 HydrophobicContact CB-CB 4.44Å; D185-E188 HydrophobicContact CB-CG 4.3Å; D185-E188 PolarHBondContact O-N 3.47Å
189N88.3Confident90.3Very high8 Ų828 Ų284%0.04315%0.152CC..SBendtrans-108.664.3-179.5-64.1-88.7000110.2L90 D185 P191 I195L90-N189 HydrophobicContact CD1-CB 4.01Å; D185-N189 WeakPolarHBondContact O-CB 3.43Å; D185-N189 PolarHBondContact O-N 2.94Å; D185-N189 PolarHBondContact O-ND2 2.81Å; N189-P191 WeakPolarHBondContact O-CD 3.38Å; N189-P191 VanDerWaalsContact O-N 3.12Å; N189-I195 HydrophobicContact CB-CD1 3.91Å
190D88.4Confident90.6Very high45 Ų4530.2 Ų30.224%0.24116%0.162CC..  trans-59.7110.3-171.5-177.66000112.9L67 S192 A193L67-D190 HydrophobicContact CD1-CB 3.98Å; D190-S192 PolarHBondContact O-N 2.83Å; D190-S192 WeakPolarHBondContact OD1-CB 3.26Å; D190-S192 PolarHBondContact OD1-N 3.45Å; D190-S192 PolarHBondContact OD1-OG 2.81Å; D190-S192 PolarHBondContact OD2-OG 2.97Å; D190-A193 PolarHBondContact O-N 2.91Å
191P90.9Very high90.8Very high0 Ų030.2 Ų30.20%016%0.162CC..G310 helixtrans-67.3-17.1178.3-2136.3000113.7L90 S91 Y92 F99 L160 L186 N189 A193 D194L90-P191 HydrophobicContact CB-CB 4.28Å; L90-P191 HydrophobicContact CB-CG 4.46Å; S91-P191 CarbonylContact C-O 3.58Å; S91-P191 VanDerWaalsContact CA-O 3.25Å; S91-P191 WeakPolarHBondContact CA-O 3.44Å; Y92-P191 PolarHBondContact N-O 3.08Å; F99-P191 HydrophobicContact CD2-CB 3.76Å; F99-P191 HydrophobicContact CD2-CG 3.88Å; F99-P191 HydrophobicContact CE2-CB 3.63Å; F99-P191 HydrophobicContact CE2-CG 3.47Å; F99-P191 VanDerWaalsContact CE2-CG 3.47Å; F99-P191 HydrophobicContact CZ-CG 4.26Å; L160-P191 HydrophobicContact CD2-CB 4.29Å; L160-P191 HydrophobicContact CD2-CG 3.92Å; L186-P191 HydrophobicContact CD2-CG 4.2Å; N189-P191 WeakPolarHBondContact O-CD 3.38Å; N189-P191 VanDerWaalsContact O-N 3.12Å; P191-A193 PolarHBondContact O-N 3.22Å; P191-D194 PolarHBondContact O-N 3.02Å
192S90.3Very high90.6Very high51 Ų5130.7 Ų30.736%0.35716%0.162SC..G310 helixtrans-65.1-26.1178.188.30000112.5D190 D194D190-S192 PolarHBondContact O-N 2.83Å; D190-S192 WeakPolarHBondContact OD1-CB 3.26Å; D190-S192 PolarHBondContact OD1-N 3.45Å; D190-S192 PolarHBondContact OD1-OG 2.81Å; D190-S192 PolarHBondContact OD2-OG 2.97Å; S192-D194 VanDerWaalsContact C-N 3.34Å
193A87.3Confident90.4Very high10 Ų1035.2 Ų35.28%0.08318%0.178CC..G310 helixtrans-87.45.7179.700000113.6L67 R69 G70 D190 P191 I195L67-A193 HydrophobicContact CB-CB 4.04Å; R69-A193 CarbonylContact C-O 3.55Å; R69-A193 WeakPolarHBondContact CA-O 3.32Å; G70-A193 PolarHBondContact N-O 3.31Å; D190-A193 PolarHBondContact O-N 2.91Å; P191-A193 PolarHBondContact O-N 3.22Å; A193-I195 HydrophobicContact CB-CG2 3.73Å; A193-I195 PolarHBondContact O-N 3.24Å
194D91.5Very high89.5Confident56 Ų5636.7 Ų36.730%0.29918%0.182SC..  trans49.963.6178.1-167.711000111.3R69 G70 L90 P191 S192R69-D194 HydrophobicContact CG-CB 4.14Å; R69-D194 IonicContact NE-OD2 3.01Å; R69-D194 IonicContact NH2-OD2 3.31Å; G70-D194 VanDerWaalsContact CA-O 3.24Å; G70-D194 WeakPolarHBondContact CA-O 3.37Å; G70-D194 PolarHBondContact N-O 3.45Å; G70-D194 VanDerWaalsContact N-O 3.14Å; L90-D194 CarbonylContact O-C 3.42Å; L90-D194 WeakPolarHBondContact O-CA 3.38Å; P191-D194 PolarHBondContact O-N 3.02Å; S192-D194 VanDerWaalsContact C-N 3.34Å
195I92.8Very high87.8Confident1 Ų141.4 Ų41.41%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-98.1155-168.960.4172.1000111.6S71 L73 R89 L90 N189 A193 V197S71-I195 WeakPolarHBondContact O-CA 3.27Å; L73-I195 HydrophobicContact CD1-CD1 3.81Å; R89-I195 CarbonylContact C-O 3.58Å; R89-I195 VanDerWaalsContact CA-O 3.28Å; R89-I195 WeakPolarHBondContact CA-O 3.47Å; L90-I195 HydrophobicContact CB-CD1 4.43Å; L90-I195 HydrophobicContact CB-CG1 3.87Å; L90-I195 HydrophobicContact CD1-CD1 4.27Å; L90-I195 HydrophobicContact CG-CG1 4.49Å; L90-I195 PolarHBondContact N-O 3.21Å; L90-I195 PolarHBondContact O-N 3.24Å; N189-I195 HydrophobicContact CB-CD1 3.91Å; A193-I195 HydrophobicContact CB-CG2 3.73Å; A193-I195 PolarHBondContact O-N 3.24Å; I195-V197 HydrophobicContact CD1-CG2 3.94Å; I195-V197 HydrophobicContact CG1-CG2 4.27Å
196E94.6Very high85.9Confident20 Ų2042.6 Ų42.69%0.09324%0.237CC..EExtended strand (participates in β ladder)trans-108.9133.3168.1-167.2170.3138.900109.4S71 V72 L73 R87 L88 R89S71-E196 PolarHBondContact O-N 2.94Å; V72-E196 CarbonylContact C-O 3.51Å; V72-E196 VanDerWaalsContact CA-O 3.3Å; V72-E196 WeakPolarHBondContact CA-O 3.49Å; V72-E196 HydrophobicContact CG2-CB 4.35Å; L73-E196 PolarHBondContact N-O 2.92Å; R87-E196 IonicContact CZ-OE1 2.62Å; R87-E196 IonicContact NE-OE1 3.45Å; R87-E196 PolarHBondContact NE-OE1 2.73Å; R87-E196 IonicContact NH2-OE1 2.87Å; R87-E196 PolarHBondContact NH2-OE1 3.26Å; L88-E196 CarbonylContact O-C 3.59Å; L88-E196 WeakPolarHBondContact O-CA 3.48Å; R89-E196 HydrophobicContact CG-CB 4.12Å; R89-E196 HydrophobicContact CG-CG 3.87Å; R89-E196 IonicContact CZ-OE2 3.33Å; R89-E196 IonicContact NE-OE2 3.85Å; R89-E196 PolarHBondContact NE-OE2 2.75Å; R89-E196 IonicContact NH2-OE2 3.14Å; R89-E196 PolarHBondContact NH2-OE2 2.9Å
197V93.7Very high83.6Confident0 Ų048.7 Ų48.70%026%0.26CS..EExtended strand (participates in β ladder)trans-121.7127.1-178.3-173.80000108.7L73 R87 L88 L90 L184 I195 A199L73-V197 HydrophobicContact CB-CG2 4.38Å; L73-V197 CarbonylContact O-C 3.49Å; L73-V197 WeakPolarHBondContact O-CA 3.35Å; R87-V197 WeakPolarHBondContact CA-O 3.23Å; L88-V197 HydrophobicContact CD2-CB 4.19Å; L88-V197 WeakPolarHBondContact CD2-O 3.45Å; L88-V197 HydrophobicContact CG-CB 4.31Å; L88-V197 PolarHBondContact N-O 2.8Å; L88-V197 PolarHBondContact O-N 3.14Å; L90-V197 HydrophobicContact CD1-CG2 4.11Å; L90-V197 HydrophobicContact CG-CG2 4.4Å; L184-V197 HydrophobicContact CD1-CB 4.49Å; L184-V197 HydrophobicContact CD1-CG1 4.18Å; L184-V197 HydrophobicContact CD2-CG1 4.2Å; I195-V197 HydrophobicContact CD1-CG2 3.94Å; I195-V197 HydrophobicContact CG1-CG2 4.27Å; V197-A199 HydrophobicContact CG1-CB 4.27Å
198A95.1Very high81.2Confident13 Ų1346.4 Ų46.411%0.10725%0.251CS..EExtended strand (participates in β ladder)trans-104109.6165.200000108.1L73 T74 Q75 I86 R87L73-A198 PolarHBondContact O-N 3.19Å; T74-A198 CarbonylContact C-O 3.5Å; T74-A198 WeakPolarHBondContact CA-O 3.48Å; Q75-A198 PolarHBondContact N-O 3.12Å; I86-A198 CarbonylContact O-C 3.42Å; I86-A198 WeakPolarHBondContact O-CA 3.26Å; R87-A198 HydrophobicContact CG-CB 3.89Å
199A94.2Very high79Confident1 Ų140.7 Ų40.71%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-118.1137.2-174.400000111.5Q75 L85 I86 V182 L184 V197Q75-A199 HydrophobicContact CB-CB 4.24Å; L85-A199 WeakPolarHBondContact CA-O 3.42Å; L85-A199 WeakPolarHBondContact CD1-O 3.07Å; I86-A199 HydrophobicContact CG2-CB 4.21Å; I86-A199 PolarHBondContact N-O 3.24Å; I86-A199 PolarHBondContact O-N 2.64Å; V182-A199 HydrophobicContact CG1-CB 3.53Å; V182-A199 HydrophobicContact CG2-CB 4.34Å; L184-A199 HydrophobicContact CD2-CB 4.12Å; V197-A199 HydrophobicContact CG1-CB 4.27Å
200E94.8Very high76.5Confident46 Ų4645.1 Ų45.122%0.21525%0.247CC..EExtended strand (participates in β ladder)trans-65.9130.9171.2-73.4176.7172.600110.4Q75 T76 S77 G78 V82 L85Q75-E200 PolarHBondContact O-N 2.71Å; T76-E200 VanDerWaalsContact CA-CD 3.48Å; T76-E200 VanDerWaalsContact CA-OE2 3.26Å; T76-E200 WeakPolarHBondContact CA-OE2 3.28Å; T76-E200 WeakPolarHBondContact CB-OE1 3.4Å; T76-E200 HydrophobicContact CG2-CG 4.4Å; T76-E200 WeakPolarHBondContact CG2-OE1 3.43Å; S77-E200 PolarHBondContact N-OE2 3.26Å; S77-E200 PolarHBondContact OG-OE2 3.5Å; G78-E200 PolarHBondContact N-OE2 3.35Å; V82-E200 HydrophobicContact CG1-CB 4.05Å; V82-E200 HydrophobicContact CG1-CG 4.08Å; V82-E200 HydrophobicContact CG2-CB 4.01Å; V82-E200 HydrophobicContact CG2-CG 4.28Å; V82-E200 WeakPolarHBondContact CG2-OE2 3.2Å; L85-E200 HydrophobicContact CD1-CG 4.39Å
201I94.4Very high74.3Confident0 Ų043.1 Ų43.10%024%0.236CC..EExtended strand (participates in β ladder)trans-86.4125.4173.4-57.8161.7000107V82 V83 G84 I86 A106 N107 V108 L169 V182V82-I201 CarbonylContact C-O 3.55Å; V82-I201 WeakPolarHBondContact CA-O 3.42Å; V83-I201 HydrophobicContact CG2-CB 4.31Å; V83-I201 HydrophobicContact CG2-CG2 3.83Å; V83-I201 WeakPolarHBondContact CG2-O 3.37Å; V83-I201 PolarHBondContact N-O 3.35Å; G84-I201 PolarHBondContact N-O 3.47Å; G84-I201 PolarHBondContact O-N 3.11Å; I86-I201 HydrophobicContact CB-CD1 4.07Å; I86-I201 HydrophobicContact CB-CG1 4.06Å; I86-I201 HydrophobicContact CG2-CG1 4.04Å; A106-I201 HydrophobicContact CB-CD1 4.49Å; N107-I201 WeakPolarHBondContact O-CD1 3.38Å; V108-I201 HydrophobicContact CB-CD1 4.02Å; V108-I201 HydrophobicContact CG2-CD1 4.31Å; V108-I201 HydrophobicContact CG2-CG2 4.3Å; L169-I201 HydrophobicContact CD1-CG1 4.39Å; L169-I201 HydrophobicContact CD1-CG2 4.13Å; L169-I201 HydrophobicContact CD2-CD1 3.68Å; L169-I201 HydrophobicContact CD2-CG1 4.41Å; V182-I201 HydrophobicContact CG2-CB 4.42Å; V182-I201 HydrophobicContact CG2-CG1 3.98Å
202E87.7Confident72.2Confident24 Ų2445.3 Ų45.311%0.11225%0.25CS..EExtended strand (participates in β ladder)trans-115.4140.3-179.1-65.2-174.4156.500112.7S77 S79 Y81 V82 G180 A181 R204S77-E202 WeakPolarHBondContact CB-OE1 3.26Å; S77-E202 PolarHBondContact OG-OE1 3.27Å; S79-E202 WeakPolarHBondContact CB-OE1 3.3Å; Y81-E202 CarbonylContact O-C 3.57Å; Y81-E202 WeakPolarHBondContact O-CA 3.39Å; V82-E202 HydrophobicContact CG2-CG 4.17Å; G180-E202 CarbonylContact C-O 3.57Å; G180-E202 VanDerWaalsContact CA-O 3.24Å; G180-E202 WeakPolarHBondContact CA-O 3.49Å; A181-E202 PolarHBondContact N-O 3.37Å; A181-E202 PolarHBondContact O-N 2.83Å; E202-R204 HydrophobicContact CB-CG 4.43Å; E202-R204 IonicContact OE1-NH2 3.77Å; E202-R204 IonicContact OE2-CZ 2.79Å; E202-R204 IonicContact OE2-NE 2.88Å; E202-R204 PolarHBondContact OE2-NE 3.28Å; E202-R204 IonicContact OE2-NH2 3.53Å; E202-R204 PolarHBondContact OE2-NH2 3.49Å
203R87.6Confident70.1Confident103 Ų10346.2 Ų46.239%0.38925%0.254SS..  trans-118.482.4171.5-170.2178.862.6-171.4-4.3109.5Y81 V83 F178 L179Y81-R203 PolarHBondContact O-N 3.46Å; V83-R203 HydrophobicContact CB-CB 4.42Å; V83-R203 HydrophobicContact CG1-CB 3.65Å; V83-R203 HydrophobicContact CG2-CB 3.88Å; F178-R203 HydrophobicContact CD1-CG 4.31Å; F178-R203 HydrophobicContact CE1-CG 4.14Å; L179-R203 WeakPolarHBondContact O-CD 3.18Å
204R70.3Confident68Low80 Ų8047.2 Ų47.230%0.30226%0.256SS..  trans-80.9131.3179.9-56.6-163.9-162.31484.3111.6Y81 E202 G206 R207Y81-R204 HydrophobicContact CD2-CB 4.15Å; Y81-R204 HydrophobicContact CD2-CG 3.6Å; Y81-R204 HydrophobicContact CE2-CG 4.39Å; Y81-R204 HydrophobicContact CG-CB 4.25Å; Y81-R204 HydrophobicContact CG-CG 3.87Å; E202-R204 HydrophobicContact CB-CG 4.43Å; E202-R204 IonicContact OE1-NH2 3.77Å; E202-R204 IonicContact OE2-CZ 2.79Å; E202-R204 IonicContact OE2-NE 2.88Å; E202-R204 PolarHBondContact OE2-NE 3.28Å; E202-R204 IonicContact OE2-NH2 3.53Å; E202-R204 PolarHBondContact OE2-NH2 3.49Å; R204-G206 PolarHBondContact O-N 2.8Å; R204-R207 HydrophobicContact CB-CB 3.69Å; R204-R207 HydrophobicContact CG-CB 4.4Å; R204-R207 VanDerWaalsContact NH1-NE 3.19Å; R204-R207 PolarHBondContact O-N 3.06Å
205P54.4Low66Low99 Ų9947.8 Ų47.864%0.64326%0.257SS*.THydrogen-bonded Turntrans-64.4123.8167.625.6-28.3000109.2Y81 R207Y81-P205 HydrophobicContact CD1-CG 4.24Å; Y81-P205 HydrophobicContact CE1-CG 3.57Å; P205-R207 PolarHBondContact O-N 2.98Å
206G46.7Very low64.5Low77 Ų7748 Ų4879%0.79426%0.259SS*.THydrogen-bonded Turntrans87.9-14.6-179.100000115.8R204 V208R204-G206 PolarHBondContact O-N 2.8Å; G206-V208 VanDerWaalsContact C-N 3.35Å; G206-V208 PolarHBondContact O-N 2.97Å
207R43Very low63.4Low129 Ų12949.6 Ų49.649%0.48727%0.265SS..  trans-9873.4163.9-125.6-161.4-158.5-155.5-3107.7E183 R204 P205 S209E183-R207 IonicContact OE2-CZ 3.85Å; E183-R207 IonicContact OE2-NH1 2.87Å; E183-R207 PolarHBondContact OE2-NH1 2.77Å; E183-R207 IonicContact OE2-NH2 3.41Å; R204-R207 HydrophobicContact CB-CB 3.69Å; R204-R207 HydrophobicContact CG-CB 4.4Å; R204-R207 VanDerWaalsContact NH1-NE 3.19Å; R204-R207 PolarHBondContact O-N 3.06Å; P205-R207 PolarHBondContact O-N 2.98Å; R207-S209 PolarHBondContact O-N 3.1Å; R207-S209 VanDerWaalsContact O-N 3.09Å
208V34.9Very low62.7Low74 Ų7450.8 Ų50.845%0.44827%0.271SS..  trans-71.3101.5178.3171.70000107.4G206 H215G206-V208 VanDerWaalsContact C-N 3.35Å; G206-V208 PolarHBondContact O-N 2.97Å; V208-H215 WeakPolarHBondContact CG1-CD2 3.4Å; V208-H215 WeakPolarHBondContact CG1-CE1 3.41Å; V208-H215 VanDerWaalsContact CG1-ND1 3.29Å; V208-H215 WeakPolarHBondContact CG1-ND1 3.18Å; V208-H215 WeakPolarHBondContact CG1-NE2 2.89Å
209S37.6Very low62.3Low18 Ų1850.2 Ų50.213%0.12627%0.267CS..  trans-74.3132.5-171.3-149.50000111.5N168 A181 R207 T211N168-S209 WeakPolarHBondContact OD1-CB 3.45Å; N168-S209 PolarHBondContact OD1-OG 3.36Å; A181-S209 WeakPolarHBondContact CB-OG 3.11Å; R207-S209 PolarHBondContact O-N 3.1Å; R207-S209 VanDerWaalsContact O-N 3.09Å; S209-T211 PolarHBondContact O-N 2.84Å
210E37.5Very low62.1Low101 Ų10152.1 Ų52.147%0.47228%0.276SS..  trans-81.484.6-156.1-63.6163.3169.100110.7Q123 N168Q123-E210 PolarHBondContact NE2-OE2 2.85Å; N168-E210 PolarHBondContact ND2-O 3.21Å
211T41.9Very low62.1Low3 Ų350 Ų502%0.01827%0.266CS..  trans-104123.4148.844.50000108.9V119 N168 I170 S209 V213 E214V119-T211 HydrophobicContact CB-CG2 3.29Å; V119-T211 HydrophobicContact CG1-CG2 3.72Å; V119-T211 HydrophobicContact CG2-CG2 3.37Å; N168-T211 HydrophobicContact CB-CG2 3.31Å; I170-T211 HydrophobicContact CD1-CG2 3.82Å; I170-T211 WeakPolarHBondContact CD1-OG1 3.32Å; S209-T211 PolarHBondContact O-N 2.84Å; T211-V213 PolarHBondContact O-N 2.92Å; T211-V213 VanDerWaalsContact O-N 3.12Å; T211-E214 PolarHBondContact O-N 2.62Å
212P45.9Very low62.2Low46 Ų4651.2 Ų51.230%0.29927%0.271SS..G310 helixtrans-57.9-36.4-173.1-17.124.2000112E214 Y217P212-E214 PolarHBondContact O-N 3.04Å; P212-Y217 CarbonylContact C-O 3.53Å; P212-Y217 HydrophobicContact CB-CD1 2.99Å; P212-Y217 HydrophobicContact CB-CD2 4.46Å; P212-Y217 HydrophobicContact CB-CE1 3.35Å; P212-Y217 HydrophobicContact CB-CG 3.6Å; P212-Y217 HydrophobicContact CG-CD1 4.22Å; P212-Y217 HydrophobicContact CG-CE1 4.15Å; P212-Y217 CarbonylContact O-C 3.59Å; P212-Y217 WeakPolarHBondContact O-CA 3.29Å; P212-Y217 WeakPolarHBondContact O-CB 3.28Å; P212-Y217 PolarHBondContact O-N 3.31Å
213V46.2Very low62.6Low70 Ų7050.1 Ų50.142%0.42427%0.266SS..G310 helixtrans-65-19.9-175.3-171.90000114.7T211 Y217T211-V213 PolarHBondContact O-N 2.92Å; T211-V213 VanDerWaalsContact O-N 3.12Å; V213-Y217 VanDerWaalsContact CA-O 3.32Å; V213-Y217 WeakPolarHBondContact CA-O 3.21Å; V213-Y217 PolarHBondContact N-O 2.92Å
214E43.9Very low63.1Low30 Ų3045.4 Ų45.414%0.1425%0.249CC..G310 helixtrans-98.7-22.9-171.5-117.5152.7-10100116.2I170 N176 Q177 F178 T211 P212 G216I170-E214 WeakPolarHBondContact CB-OE1 3.04Å; I170-E214 WeakPolarHBondContact CD1-OE1 3.21Å; I170-E214 WeakPolarHBondContact CG1-OE1 3.16Å; I170-E214 WeakPolarHBondContact CG1-OE2 3.49Å; I170-E214 WeakPolarHBondContact CG2-OE1 3.33Å; N176-E214 HydrophobicContact CB-CG 3.77Å; N176-E214 WeakPolarHBondContact CB-OE1 3.21Å; Q177-E214 VanDerWaalsContact C-OE2 3.28Å; F178-E214 WeakPolarHBondContact CA-OE2 3.32Å; F178-E214 WeakPolarHBondContact CB-OE2 3.4Å; F178-E214 PolarHBondContact N-OE2 2.7Å; T211-E214 PolarHBondContact O-N 2.62Å; P212-E214 PolarHBondContact O-N 3.04Å; E214-G216 PolarHBondContact O-N 2.81Å
215H49.8Very low64.4Low69 Ų6941.6 Ų41.632%0.31924%0.235SC..G310 helixtrans-89.832.7165.5-61.1-55000110.7V208 Y217 W359V208-H215 WeakPolarHBondContact CG1-CD2 3.4Å; V208-H215 WeakPolarHBondContact CG1-CE1 3.41Å; V208-H215 VanDerWaalsContact CG1-ND1 3.29Å; V208-H215 WeakPolarHBondContact CG1-ND1 3.18Å; V208-H215 WeakPolarHBondContact CG1-NE2 2.89Å; H215-Y217 PolarHBondContact O-N 2.93Å; H215-W359 PolarHBondContact O-NE1 3.4Å
216G61.4Low66.4Low5 Ų540.7 Ų40.75%0.05222%0.22CC..THydrogen-bonded Turntrans58.311.3-174.600000114.9E214 N218 M357 S358E214-G216 PolarHBondContact O-N 2.81Å; G216-N218 PolarHBondContact O-N 2.87Å; G216-M357 CarbonylContact O-C 3.5Å; G216-M357 WeakPolarHBondContact O-CA 3.11Å; G216-S358 WeakPolarHBondContact CA-OG 3.39Å; G216-S358 PolarHBondContact O-N 2.83Å
217Y69.7Low68.7Low53 Ų5337.6 Ų37.621%0.20819%0.185CC..EExtended strand (participates in β ladder)trans-71.9123.8174.4171.2-64.4000108.5P212 V213 H215 G219 E220 P355 L356 M357P212-Y217 CarbonylContact C-O 3.53Å; P212-Y217 HydrophobicContact CB-CD1 2.99Å; P212-Y217 HydrophobicContact CB-CD2 4.46Å; P212-Y217 HydrophobicContact CB-CE1 3.35Å; P212-Y217 HydrophobicContact CB-CG 3.6Å; P212-Y217 HydrophobicContact CG-CD1 4.22Å; P212-Y217 HydrophobicContact CG-CE1 4.15Å; P212-Y217 CarbonylContact O-C 3.59Å; P212-Y217 WeakPolarHBondContact O-CA 3.29Å; P212-Y217 WeakPolarHBondContact O-CB 3.28Å; P212-Y217 PolarHBondContact O-N 3.31Å; V213-Y217 VanDerWaalsContact CA-O 3.32Å; V213-Y217 WeakPolarHBondContact CA-O 3.21Å; V213-Y217 PolarHBondContact N-O 2.92Å; H215-Y217 PolarHBondContact O-N 2.93Å; Y217-G219 VanDerWaalsContact CE1-N 3.28Å; Y217-E220 HydrophobicContact CE2-CG 3.92Å; Y217-E220 WeakPolarHBondContact OH-CG 3.39Å; Y217-P355 HydrophobicContact CD2-CB 3.47Å; Y217-P355 VanDerWaalsContact CD2-CB 3.47Å; Y217-P355 HydrophobicContact CE2-CB 3.57Å; Y217-L356 CarbonylContact C-O 3.53Å; Y217-L356 WeakPolarHBondContact CA-O 3.26Å; Y217-M357 HydrophobicContact CD2-CE 4.16Å; Y217-M357 HydrophobicContact CD2-SD 4.24Å; Y217-M357 HydrophobicContact CG-SD 4.38Å
218N80.1Confident71.1Confident25 Ų2534.9 Ų34.913%0.13418%0.179CC..EExtended strand (participates in β ladder)trans-123.132.8-173.5-72.4-24.5000110.3G216 I244 A245 L322 L356G216-N218 PolarHBondContact O-N 2.87Å; N218-I244 VanDerWaalsContact O-CA 3.26Å; N218-I244 WeakPolarHBondContact O-CA 3.08Å; N218-I244 WeakPolarHBondContact O-CG1 3.25Å; N218-A245 PolarHBondContact O-N 2.63Å; N218-L322 WeakPolarHBondContact CB-O 3.43Å; N218-L322 PolarHBondContact ND2-O 3.48Å; N218-L356 HydrophobicContact CB-CD2 4.18Å; N218-L356 HydrophobicContact CB-CG 4.42Å; N218-L356 PolarHBondContact N-O 3.16Å
219G85.7Confident73.7Confident1 Ų137.3 Ų37.31%0.0119%0.188CC..EExtended strand (participates in β ladder)trans107.6-168-179.100000112.9Y217 K242 G243 L356Y217-G219 VanDerWaalsContact CE1-N 3.28Å; G219-K242 CarbonylContact C-O 3.55Å; G219-K242 VanDerWaalsContact CA-O 3.32Å; G219-K242 WeakPolarHBondContact CA-O 3.09Å; G219-G243 VanDerWaalsContact CA-O 3.28Å; G219-G243 WeakPolarHBondContact CA-O 3.15Å; G219-L356 WeakPolarHBondContact O-CB 3.4Å; G219-L356 PolarHBondContact O-N 2.73Å
220E90.6Very high76.3Confident42 Ų4241.4 Ų41.420%0.19622%0.217CC..EExtended strand (participates in β ladder)trans-125.3150176.6-49-176.211100110.8Y217 T241 K242 W353 H354Y217-E220 HydrophobicContact CE2-CG 3.92Å; Y217-E220 WeakPolarHBondContact OH-CG 3.39Å; E220-T241 CarbonylContact O-C 3.51Å; E220-T241 WeakPolarHBondContact O-CA 3.3Å; E220-T241 VanDerWaalsContact O-CB 3.25Å; E220-T241 WeakPolarHBondContact O-CB 3.42Å; E220-K242 PolarHBondContact N-O 3.22Å; E220-K242 PolarHBondContact O-N 2.83Å; E220-K242 IonicContact OE2-NZ 3.53Å; E220-W353 HydrophobicContact CB-CE3 3.56Å; E220-W353 HydrophobicContact CB-CZ3 4.09Å; E220-H354 CarbonylContact C-O 3.51Å; E220-H354 VanDerWaalsContact CA-O 3.24Å; E220-H354 WeakPolarHBondContact CA-O 3.16Å
221L94.5Very high79Confident1 Ų140.7 Ų40.71%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-118.6123174.8179.362.8000109.2L223 F238 T241 L287 V309 V325 H354L221-L223 HydrophobicContact CD1-CD2 4.26Å; L221-L223 HydrophobicContact CD2-CD1 4.09Å; L221-L223 HydrophobicContact CD2-CD2 3.7Å; L221-L223 HydrophobicContact CD2-CG 4.1Å; L221-L223 HydrophobicContact CG-CD1 4.25Å; L221-L223 HydrophobicContact CG-CD2 3.65Å; L221-L223 HydrophobicContact CG-CG 3.83Å; L221-F238 HydrophobicContact CD2-CD1 4.26Å; L221-F238 HydrophobicContact CD2-CE1 4.48Å; L221-T241 HydrophobicContact CD1-CG2 3.79Å; L221-L287 HydrophobicContact CD1-CD1 3.89Å; L221-V309 HydrophobicContact CD2-CG2 4Å; L221-V325 HydrophobicContact CD2-CG2 4.46Å; L221-H354 PolarHBondContact N-O 2.84Å; L221-H354 PolarHBondContact O-N 3.45Å
222E97Very high81.4Confident26 Ų2644.6 Ų44.612%0.12123%0.232CC..EExtended strand (participates in β ladder)trans-87.4124.1174.9-161.6178.8-149.500109.7L239 R240 T351 W353E222-L239 HydrophobicContact CB-CB 4.24Å; E222-L239 HydrophobicContact CG-CB 4.4Å; E222-L239 HydrophobicContact CG-CD1 4.06Å; E222-L239 PolarHBondContact O-N 2.84Å; E222-R240 HydrophobicContact CB-CG 4.19Å; E222-R240 PolarHBondContact N-O 3.32Å; E222-R240 IonicContact OE1-NH2 3.04Å; E222-R240 WeakPolarHBondContact OE2-CG 3.42Å; E222-R240 IonicContact OE2-CZ 3.88Å; E222-R240 IonicContact OE2-NE 3.01Å; E222-R240 PolarHBondContact OE2-NE 3.46Å; E222-R240 IonicContact OE2-NH2 3.55Å; E222-R240 PolarHBondContact OE2-NH2 3.29Å; E222-T351 HydrophobicContact CG-CG2 3.81Å; E222-W353 HydrophobicContact CB-CD2 3.82Å; E222-W353 HydrophobicContact CB-CE3 3.69Å; E222-W353 HydrophobicContact CB-CH2 3.77Å; E222-W353 HydrophobicContact CB-CZ2 3.86Å; E222-W353 HydrophobicContact CB-CZ3 3.67Å; E222-W353 HydrophobicContact CG-CD2 4Å; E222-W353 HydrophobicContact CG-CE3 4.39Å; E222-W353 HydrophobicContact CG-CG 4.46Å; E222-W353 HydrophobicContact CG-CH2 4.42Å; E222-W353 HydrophobicContact CG-CZ2 3.99Å; E222-W353 PolarHBondContact OE1-NE1 3.31Å
223L97Very high83.8Confident0 Ų047.4 Ų47.40%024%0.237CC..EExtended strand (participates in β ladder)trans-132.5146.1-173.2-60.1168.8000110.3L221 S237 F238 L307 V325 I327 H339 T351 M352L221-L223 HydrophobicContact CD1-CD2 4.26Å; L221-L223 HydrophobicContact CD2-CD1 4.09Å; L221-L223 HydrophobicContact CD2-CD2 3.7Å; L221-L223 HydrophobicContact CD2-CG 4.1Å; L221-L223 HydrophobicContact CG-CD1 4.25Å; L221-L223 HydrophobicContact CG-CD2 3.65Å; L221-L223 HydrophobicContact CG-CG 3.83Å; L223-S237 CarbonylContact C-O 3.57Å; L223-S237 VanDerWaalsContact CA-O 3.24Å; L223-S237 WeakPolarHBondContact CA-O 3.45Å; L223-F238 HydrophobicContact CD2-CB 4.39Å; L223-F238 HydrophobicContact CD2-CD1 3.26Å; L223-F238 HydrophobicContact CD2-CE1 3.56Å; L223-F238 HydrophobicContact CD2-CG 4.02Å; L223-L307 HydrophobicContact CD1-CD2 3.62Å; L223-L307 HydrophobicContact CD2-CD2 4.15Å; L223-V325 HydrophobicContact CD1-CG1 4.35Å; L223-I327 HydrophobicContact CD1-CD1 4.04Å; L223-H339 PolarHBondContact O-CE1 2.85Å; L223-H339 VanDerWaalsContact O-CE1 3.24Å; L223-T351 CarbonylContact O-C 3.59Å; L223-T351 VanDerWaalsContact O-CA 3.28Å; L223-T351 WeakPolarHBondContact O-CA 3.43Å; L223-M352 PolarHBondContact N-O 3.45Å; L223-M352 PolarHBondContact O-N 2.8Å
224S97.4Very high86.2Confident4 Ų444.1 Ų44.13%0.02822%0.216CC..EExtended strand (participates in β ladder)trans-112.5137.7163.7175.80000111S237 E349 T350 T351S224-S237 PolarHBondContact N-O 2.91Å; S224-S237 PolarHBondContact O-N 2.97Å; S224-E349 WeakPolarHBondContact OG-CG 3.49Å; S224-E349 PolarHBondContact OG-OE1 2.66Å; S224-T350 VanDerWaalsContact CA-O 3.23Å; S224-T350 WeakPolarHBondContact CA-O 2.82Å; S224-T350 PolarHBondContact OG-O 2.69Å; S224-T351 WeakPolarHBondContact CB-OG1 3.33Å
225L97.3Very high88.7Confident0 Ų044.1 Ų44.10%022%0.218CC..EExtended strand (participates in β ladder)trans-119.3134.4173.7-66.7179.8000110.9L234 V235 V236 L305 I327 H339 A343 E349 T350L225-L234 HydrophobicContact CD2-CD1 4.47Å; L225-V235 WeakPolarHBondContact CA-O 3.44Å; L225-V236 HydrophobicContact CD2-CB 4Å; L225-V236 HydrophobicContact CD2-CG1 3.79Å; L225-V236 HydrophobicContact CD2-CG2 3.64Å; L225-L305 HydrophobicContact CD2-CD1 4.15Å; L225-I327 HydrophobicContact CD1-CD1 4.02Å; L225-I327 HydrophobicContact CD1-CG2 3.74Å; L225-H339 HydrophobicContact CD1-CB 4.26Å; L225-H339 VanDerWaalsContact CG-CE1 3.47Å; L225-H339 WeakPolarHBondContact CG-CE1 3.49Å; L225-H339 PolarHBondContact N-NE2 2.79Å; L225-A343 HydrophobicContact CB-CB 3.61Å; L225-E349 WeakPolarHBondContact O-CA 3.26Å; L225-T350 PolarHBondContact N-O 2.62Å; L225-T350 VanDerWaalsContact N-O 3.08Å; L225-T350 PolarHBondContact O-N 3.01Å
226K95.6Very high91Very high80 Ų8040.8 Ų40.835%0.34820%0.203SC..EExtended strand (participates in β ladder)trans-138.9120.9175-177-173.6-158.1140.10110.5L234 V235 E349K226-L234 CarbonylContact O-C 3.57Å; K226-L234 WeakPolarHBondContact O-CA 3.13Å; K226-V235 HydrophobicContact CB-CB 4.41Å; K226-V235 PolarHBondContact N-O 3.18Å; K226-V235 PolarHBondContact O-N 3Å; K226-E349 HydrophobicContact CB-CB 4.14Å; K226-E349 HydrophobicContact CB-CG 4.04Å; K226-E349 HydrophobicContact CD-CB 4.48Å; K226-E349 WeakPolarHBondContact CD-OE2 3.44Å; K226-E349 WeakPolarHBondContact CE-OE2 3.05Å; K226-E349 HydrophobicContact CG-CB 4.14Å; K226-E349 HydrophobicContact CG-CG 4.44Å; K226-E349 IonicContact NZ-OE2 2.84Å; K226-E349 PolarHBondContact NZ-OE2 2.78Å
227Y95.2Very high92.7Very high12 Ų1241.7 Ų41.75%0.04721%0.209CC..EExtended strand (participates in β ladder)trans-106.5119.5172.7-173.2-120.5000111.3I229 K232 L234 L295 D297 L300 A343 I344Y227-I229 HydrophobicContact CD1-CB 4.43Å; Y227-I229 HydrophobicContact CE1-CB 4.15Å; Y227-I229 HydrophobicContact CE1-CG1 4.24Å; Y227-K232 WeakPolarHBondContact OH-CA 3.21Å; Y227-L234 HydrophobicContact CD2-CB 3.99Å; Y227-L234 HydrophobicContact CD2-CD1 4.48Å; Y227-L295 HydrophobicContact CD2-CD1 4.46Å; Y227-L295 HydrophobicContact CE2-CB 4.25Å; Y227-L295 HydrophobicContact CE2-CD1 4.16Å; Y227-L295 HydrophobicContact CE2-CG 4.46Å; Y227-D297 PolarHBondContact OH-OD1 3.23Å; Y227-L300 HydrophobicContact CE1-CD1 4.07Å; Y227-A343 WeakPolarHBondContact CB-O 3.49Å; Y227-I344 HydrophobicContact CD1-CD1 4.08Å; Y227-I344 HydrophobicContact CD2-CD1 4.1Å; Y227-I344 HydrophobicContact CG-CD1 3.67Å
228M93.1Very high94Very high73 Ų7339.2 Ų39.236%0.3620%0.199SC..EExtended strand (participates in β ladder)trans-96.395.1174.9-61.6174.567.400108.5S230 I231 K232 R233M228-S230 VanDerWaalsContact C-N 3.29Å; M228-S230 PolarHBondContact O-N 3.39Å; M228-I231 HydrophobicContact CB-CD1 4.26Å; M228-I231 HydrophobicContact CB-CG1 3.76Å; M228-I231 HydrophobicContact CE-CD1 3.77Å; M228-I231 HydrophobicContact CE-CG1 4.22Å; M228-I231 PolarHBondContact O-N 3.44Å; M228-I231 HydrophobicContact SD-CD1 3.98Å; M228-K232 WeakPolarHBondContact O-CA 3.49Å; M228-K232 PolarHBondContact O-N 3.13Å; M228-R233 PolarHBondContact N-O 2.77Å; M228-R233 PolarHBondContact O-N 2.9Å
229I91Very high94.8Very high125 Ų12540.2 Ų40.264%0.64120%0.204SC*.G310 helixtrans-58.2-38.2-175.6-167.4166.2000112.9Y227 I231 K232Y227-I229 HydrophobicContact CD1-CB 4.43Å; Y227-I229 HydrophobicContact CE1-CB 4.15Å; Y227-I229 HydrophobicContact CE1-CG1 4.24Å; I229-I231 PolarHBondContact O-N 3.21Å; I229-I231 VanDerWaalsContact O-N 3.15Å; I229-K232 PolarHBondContact O-N 3.32Å; I229-K232 VanDerWaalsContact O-N 3.1Å
230S91.5Very high95.2Very high104 Ų10445.5 Ų45.573%0.72722%0.224SC*.G310 helixtrans-58.4-31.7-178.157.50000114.1M228M228-S230 VanDerWaalsContact C-N 3.29Å; M228-S230 PolarHBondContact O-N 3.39Å
231I93.7Very high95.3Very high85 Ų8543.7 Ų43.744%0.43622%0.215SC..G310 helixtrans-118.310.717960.9165.4000112.2M228 I229 R233M228-I231 HydrophobicContact CB-CD1 4.26Å; M228-I231 HydrophobicContact CB-CG1 3.76Å; M228-I231 HydrophobicContact CE-CD1 3.77Å; M228-I231 HydrophobicContact CE-CG1 4.22Å; M228-I231 PolarHBondContact O-N 3.44Å; M228-I231 HydrophobicContact SD-CD1 3.98Å; I229-I231 PolarHBondContact O-N 3.21Å; I229-I231 VanDerWaalsContact O-N 3.15Å; I231-R233 HydrophobicContact CD1-CB 3.67Å; I231-R233 HydrophobicContact CD1-CG 4.38Å; I231-R233 HydrophobicContact CG1-CB 3.69Å; I231-R233 PolarHBondContact O-N 2.83Å; I231-R233 VanDerWaalsContact O-N 3.16Å
232K93.8Very high94.8Very high86 Ų8649.5 Ų49.537%0.37424%0.241SC..THydrogen-bonded Turntrans47.741.9-178.1-45-173.7-172.2-153.50112.9Y227 M228 I229 T294 L295 D297Y227-K232 WeakPolarHBondContact OH-CA 3.21Å; M228-K232 WeakPolarHBondContact O-CA 3.49Å; M228-K232 PolarHBondContact O-N 3.13Å; I229-K232 PolarHBondContact O-N 3.32Å; I229-K232 VanDerWaalsContact O-N 3.1Å; K232-T294 CarbonylContact O-C 3.42Å; K232-T294 VanDerWaalsContact O-CA 3.26Å; K232-T294 WeakPolarHBondContact O-CA 3.39Å; K232-L295 VanDerWaalsContact CB-O 3.23Å; K232-L295 WeakPolarHBondContact CB-O 2.76Å; K232-L295 PolarHBondContact O-N 2.84Å; K232-D297 VanDerWaalsContact CD-OD2 3.27Å; K232-D297 WeakPolarHBondContact CD-OD2 3.35Å; K232-D297 WeakPolarHBondContact CE-OD2 3.2Å; K232-D297 IonicContact NZ-OD2 3.6Å; K232-D297 PolarHBondContact NZ-OD2 3.1Å
233R95.1Very high94Very high105 Ų10551.4 Ų51.440%0.39627%0.267SS..EExtended strand (participates in β ladder)trans-112.8117.3-172.3-169.6177.6-174.9-172.3-1.8110.7M228 I231 S292 F293M228-R233 PolarHBondContact N-O 2.77Å; M228-R233 PolarHBondContact O-N 2.9Å; I231-R233 HydrophobicContact CD1-CB 3.67Å; I231-R233 HydrophobicContact CD1-CG 4.38Å; I231-R233 HydrophobicContact CG1-CB 3.69Å; I231-R233 PolarHBondContact O-N 2.83Å; I231-R233 VanDerWaalsContact O-N 3.16Å; R233-S292 VanDerWaalsContact NE-CB 3.29Å; R233-S292 PolarHBondContact NE-OG 2.72Å; R233-S292 PolarHBondContact NH2-OG 3.34Å; R233-F293 WeakPolarHBondContact CA-O 3.42Å
234L96Very high93.3Very high0 Ų051.9 Ų51.90%027%0.27CS..EExtended strand (participates in β ladder)trans-90.1127.9167.9-17968.3000109.7L225 K226 Y227 V236 S292 F293 L295 L305 W340 I344L225-L234 HydrophobicContact CD2-CD1 4.47Å; K226-L234 CarbonylContact O-C 3.57Å; K226-L234 WeakPolarHBondContact O-CA 3.13Å; Y227-L234 HydrophobicContact CD2-CB 3.99Å; Y227-L234 HydrophobicContact CD2-CD1 4.48Å; L234-V236 HydrophobicContact CD2-CG2 4.09Å; L234-V236 HydrophobicContact CG-CG2 4.16Å; L234-S292 CarbonylContact O-C 3.54Å; L234-S292 VanDerWaalsContact O-CA 3.23Å; L234-S292 WeakPolarHBondContact O-CA 3.11Å; L234-F293 PolarHBondContact N-O 3.14Å; L234-F293 PolarHBondContact O-N 2.46Å; L234-L295 HydrophobicContact CB-CD1 3.77Å; L234-L295 HydrophobicContact CB-CG 4.16Å; L234-L295 HydrophobicContact CD2-CD1 3.97Å; L234-L295 HydrophobicContact CG-CD1 4.46Å; L234-L305 HydrophobicContact CD2-CD1 3.69Å; L234-L305 HydrophobicContact CD2-CD2 3.81Å; L234-L305 HydrophobicContact CD2-CG 4.27Å; L234-W340 HydrophobicContact CD2-CZ3 4.21Å; L234-I344 HydrophobicContact CD1-CD1 4.08Å
235V97Very high92.2Very high30 Ų3053.9 Ų53.918%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-107.4128.6169.9-176.70000108.3L225 K226 A290L225-V235 WeakPolarHBondContact CA-O 3.44Å; K226-V235 HydrophobicContact CB-CB 4.41Å; K226-V235 PolarHBondContact N-O 3.18Å; K226-V235 PolarHBondContact O-N 3Å; V235-A290 HydrophobicContact CG1-CB 4.23Å
236V98Very high91Very high0 Ų055.1 Ų55.10%029%0.293CS..EExtended strand (participates in β ladder)trans-116.1110.1175.9-172.60000107.7L225 L234 F238 A290 L291 F293 L305 L307L225-V236 HydrophobicContact CD2-CB 4Å; L225-V236 HydrophobicContact CD2-CG1 3.79Å; L225-V236 HydrophobicContact CD2-CG2 3.64Å; L234-V236 HydrophobicContact CD2-CG2 4.09Å; L234-V236 HydrophobicContact CG-CG2 4.16Å; V236-F238 HydrophobicContact CB-CE2 4.26Å; V236-F238 HydrophobicContact CB-CZ 4.37Å; V236-F238 HydrophobicContact CG1-CE1 4.26Å; V236-F238 HydrophobicContact CG1-CE2 3.84Å; V236-F238 HydrophobicContact CG1-CZ 3.56Å; V236-F238 WeakPolarHBondContact O-CE2 3.29Å; V236-A290 CarbonylContact O-C 3.4Å; V236-A290 WeakPolarHBondContact O-CA 3.44Å; V236-L291 PolarHBondContact N-O 2.94Å; V236-L291 PolarHBondContact O-N 3.04Å; V236-F293 HydrophobicContact CG2-CD2 4.15Å; V236-F293 HydrophobicContact CG2-CE2 3.99Å; V236-L305 HydrophobicContact CG2-CD1 4.21Å; V236-L307 HydrophobicContact CG1-CD2 4.12Å
237S97.9Very high89.7Confident24 Ų2453 Ų5317%0.16829%0.289CS..EExtended strand (participates in β ladder)trans-102.3131.1179-55.80000110.2L223 S224 Q289L223-S237 CarbonylContact C-O 3.57Å; L223-S237 VanDerWaalsContact CA-O 3.24Å; L223-S237 WeakPolarHBondContact CA-O 3.45Å; S224-S237 PolarHBondContact N-O 2.91Å; S224-S237 PolarHBondContact O-N 2.97Å; S237-Q289 CarbonylContact C-O 3.53Å; S237-Q289 WeakPolarHBondContact CA-O 3.39Å
238F97.7Very high88.2Confident0 Ų060.9 Ų60.90%032%0.324CS..EExtended strand (participates in β ladder)trans-104111.8179.2-58.5-89.5000108.4L221 L223 V236 V260 V262 T276 L287 N288 Q289 L291 L307L221-F238 HydrophobicContact CD2-CD1 4.26Å; L221-F238 HydrophobicContact CD2-CE1 4.48Å; L223-F238 HydrophobicContact CD2-CB 4.39Å; L223-F238 HydrophobicContact CD2-CD1 3.26Å; L223-F238 HydrophobicContact CD2-CE1 3.56Å; L223-F238 HydrophobicContact CD2-CG 4.02Å; V236-F238 HydrophobicContact CB-CE2 4.26Å; V236-F238 HydrophobicContact CB-CZ 4.37Å; V236-F238 HydrophobicContact CG1-CE1 4.26Å; V236-F238 HydrophobicContact CG1-CE2 3.84Å; V236-F238 HydrophobicContact CG1-CZ 3.56Å; V236-F238 WeakPolarHBondContact O-CE2 3.29Å; F238-V260 HydrophobicContact CD1-CB 4.08Å; F238-V260 HydrophobicContact CD1-CG1 4.06Å; F238-V260 HydrophobicContact CD1-CG2 3.89Å; F238-V260 HydrophobicContact CE1-CB 3.93Å; F238-V260 HydrophobicContact CE1-CG1 3.49Å; F238-V260 VanDerWaalsContact CE1-CG1 3.49Å; F238-V260 HydrophobicContact CE1-CG2 4.2Å; F238-V260 HydrophobicContact CZ-CB 4.47Å; F238-V260 HydrophobicContact CZ-CG1 4.1Å; F238-V262 HydrophobicContact CE1-CG2 4.29Å; F238-V262 HydrophobicContact CE2-CG2 4.15Å; F238-V262 HydrophobicContact CZ-CG2 3.42Å; F238-V262 VanDerWaalsContact CZ-CG2 3.42Å; F238-T276 HydrophobicContact CD2-CG2 3.82Å; F238-T276 HydrophobicContact CE2-CG2 4.08Å; F238-T276 HydrophobicContact CG-CG2 4.24Å; F238-L287 HydrophobicContact CB-CB 3.97Å; F238-L287 HydrophobicContact CB-CD1 3.87Å; F238-N288 VanDerWaalsContact O-CA 3.22Å; F238-N288 WeakPolarHBondContact O-CA 3.47Å; F238-N288 PolarHBondContact O-N 3.01Å; F238-Q289 WeakPolarHBondContact CD2-O 3.39Å; F238-Q289 PolarHBondContact N-O 3.23Å; F238-Q289 PolarHBondContact O-N 3.09Å; F238-L291 HydrophobicContact CE2-CB 4.28Å; F238-L291 HydrophobicContact CE2-CD1 3.9Å; F238-L291 HydrophobicContact CE2-CG 4Å; F238-L291 HydrophobicContact CZ-CD1 4.42Å; F238-L307 HydrophobicContact CE1-CD2 3.49Å; F238-L307 VanDerWaalsContact CE1-CD2 3.49Å; F238-L307 HydrophobicContact CZ-CD2 3.85Å
239L96.3Very high86.7Confident47 Ų4762.8 Ų62.825%0.24633%0.332CS..EExtended strand (participates in β ladder)trans-93.5-73.1-172.6-60.8176.4000110.5E222 L287 N288 T351E222-L239 HydrophobicContact CB-CB 4.24Å; E222-L239 HydrophobicContact CG-CB 4.4Å; E222-L239 HydrophobicContact CG-CD1 4.06Å; E222-L239 PolarHBondContact O-N 2.84Å; L239-L287 PolarHBondContact O-N 3.42Å; L239-N288 PolarHBondContact O-N 3.27Å; L239-N288 VanDerWaalsContact O-N 3.16Å; L239-N288 PolarHBondContact O-OD1 3.21Å; L239-T351 HydrophobicContact CD1-CG2 3.49Å; L239-T351 VanDerWaalsContact CD1-CG2 3.49Å
240R94.7Very high85.2Confident111 Ų11157.3 Ų57.342%0.41930%0.304SS..EExtended strand (participates in β ladder)trans-153172.7-178.156.3174.2175.4-178.4-0.6112E222 L285 V286 W353E222-R240 HydrophobicContact CB-CG 4.19Å; E222-R240 PolarHBondContact N-O 3.32Å; E222-R240 IonicContact OE1-NH2 3.04Å; E222-R240 WeakPolarHBondContact OE2-CG 3.42Å; E222-R240 IonicContact OE2-CZ 3.88Å; E222-R240 IonicContact OE2-NE 3.01Å; E222-R240 PolarHBondContact OE2-NE 3.46Å; E222-R240 IonicContact OE2-NH2 3.55Å; E222-R240 PolarHBondContact OE2-NH2 3.29Å; R240-L285 CarbonylContact C-O 3.56Å; R240-L285 WeakPolarHBondContact CA-O 3.22Å; R240-L285 VanDerWaalsContact CB-O 3.26Å; R240-L285 WeakPolarHBondContact CB-O 3.5Å; R240-V286 HydrophobicContact CB-CG2 4.45Å; R240-W353 HydrophobicContact CG-CH2 3.92Å; R240-W353 HydrophobicContact CG-CZ2 4.45Å
241T91.1Very high83.6Confident4 Ų457.8 Ų57.83%0.02530%0.298CS..EExtended strand (participates in β ladder)trans-116.2161170.974.60000111.9E220 L221 I244 P284 L285E220-T241 CarbonylContact O-C 3.51Å; E220-T241 WeakPolarHBondContact O-CA 3.3Å; E220-T241 VanDerWaalsContact O-CB 3.25Å; E220-T241 WeakPolarHBondContact O-CB 3.42Å; L221-T241 HydrophobicContact CD1-CG2 3.79Å; T241-I244 HydrophobicContact CG2-CD1 4.18Å; T241-I244 WeakPolarHBondContact OG1-CG2 3.39Å; T241-P284 WeakPolarHBondContact O-CB 3.29Å; T241-L285 HydrophobicContact CG2-CB 4.25Å; T241-L285 HydrophobicContact CG2-CD2 4.03Å; T241-L285 PolarHBondContact N-O 3.01Å; T241-L285 WeakPolarHBondContact OG1-CB 3.34Å
242K84.6Confident82Confident124 Ų12458.5 Ų58.554%0.53931%0.306SS..EExtended strand (participates in β ladder)trans-131.7130.9173.3179-175.5167.8-159.20109.1G219 E220 I244 W353G219-K242 CarbonylContact C-O 3.55Å; G219-K242 VanDerWaalsContact CA-O 3.32Å; G219-K242 WeakPolarHBondContact CA-O 3.09Å; E220-K242 PolarHBondContact N-O 3.22Å; E220-K242 PolarHBondContact O-N 2.83Å; E220-K242 IonicContact OE2-NZ 3.53Å; K242-I244 VanDerWaalsContact C-N 3.25Å; K242-I244 PolarHBondContact O-N 3.48Å; K242-W353 HydrophobicContact CB-CE3 4.43Å; K242-W353 HydrophobicContact CB-CH2 3.77Å; K242-W353 HydrophobicContact CB-CZ3 3.61Å
243G80.6Confident80.3Confident65 Ų6557.5 Ų57.567%0.6732%0.32SS*.SBendtrans60.529.5174.200000114.8G219 A245G219-G243 VanDerWaalsContact CA-O 3.28Å; G219-G243 WeakPolarHBondContact CA-O 3.15Å; G243-A245 PolarHBondContact O-N 3.13Å
244I81.4Confident78.5Confident11 Ų1158.5 Ų58.56%0.05633%0.329CS..  trans-69.4127.5-178.7-167.9165.5000111N218 T241 K242 V246 Y281 V309 L322 L356N218-I244 VanDerWaalsContact O-CA 3.26Å; N218-I244 WeakPolarHBondContact O-CA 3.08Å; N218-I244 WeakPolarHBondContact O-CG1 3.25Å; T241-I244 HydrophobicContact CG2-CD1 4.18Å; T241-I244 WeakPolarHBondContact OG1-CG2 3.39Å; K242-I244 VanDerWaalsContact C-N 3.25Å; K242-I244 PolarHBondContact O-N 3.48Å; I244-V246 HydrophobicContact CG1-CG1 4.42Å; I244-V246 HydrophobicContact CG2-CG1 4.2Å; I244-V246 PolarHBondContact O-N 2.79Å; I244-Y281 HydrophobicContact CG2-CE2 3.59Å; I244-V309 HydrophobicContact CD1-CG1 4Å; I244-L322 HydrophobicContact CD1-CB 4.37Å; I244-L322 HydrophobicContact CD1-CD1 3.46Å; I244-L322 VanDerWaalsContact CD1-CD1 3.46Å; I244-L322 HydrophobicContact CG1-CD1 3.94Å; I244-L356 HydrophobicContact CD1-CD2 3.78Å; I244-L356 HydrophobicContact CG1-CD2 4.04Å
245A73.7Confident77Confident45 Ų4568 Ų6837%0.37237%0.365SS..  trans-81.8114.8176.600000109.2N218 G243 L322N218-A245 PolarHBondContact O-N 2.63Å; G243-A245 PolarHBondContact O-N 3.13Å; A245-L322 WeakPolarHBondContact O-CD2 3.27Å
246V72.5Confident75.9Confident26 Ų2667.1 Ų67.116%0.15836%0.36CS..  trans-119.6159179.7-68.30000110.7I244 V250 L251 Y281 L322I244-V246 HydrophobicContact CG1-CG1 4.42Å; I244-V246 HydrophobicContact CG2-CG1 4.2Å; I244-V246 PolarHBondContact O-N 2.79Å; V246-V250 HydrophobicContact CB-CB 4.08Å; V246-V250 HydrophobicContact CB-CG1 3.77Å; V246-V250 HydrophobicContact CG1-CG1 4.24Å; V246-V250 HydrophobicContact CG2-CB 4.22Å; V246-V250 HydrophobicContact CG2-CG1 3.61Å; V246-L251 HydrophobicContact CG2-CD2 3.74Å; V246-L251 HydrophobicContact CG2-CG 4.06Å; V246-Y281 HydrophobicContact CG1-CD2 4Å; V246-Y281 HydrophobicContact CG1-CE2 3.67Å; V246-Y281 HydrophobicContact CG2-CD1 4.32Å; V246-Y281 HydrophobicContact CG2-CE1 3.77Å; V246-Y281 HydrophobicContact CG2-CE2 4.08Å; V246-L322 HydrophobicContact CG1-CD1 3.85Å; V246-L322 HydrophobicContact CG1-CD2 4.38Å
247S68.9Low75.4Confident37 Ų3769.5 Ų69.526%0.25937%0.371SS..  trans-63.8158.8177.173.60000112E249 V250 L251 E311S247-E249 PolarHBondContact O-N 2.84Å; S247-V250 WeakPolarHBondContact O-CB 3.47Å; S247-V250 PolarHBondContact O-N 3.48Å; S247-V250 PolarHBondContact OG-N 2.95Å; S247-L251 PolarHBondContact O-N 3.25Å; S247-E311 WeakPolarHBondContact CA-OE1 3.35Å; S247-E311 VanDerWaalsContact CB-OE1 3.22Å; S247-E311 WeakPolarHBondContact CB-OE1 3.26Å; S247-E311 PolarHBondContact N-OE1 2.98Å; S247-E311 PolarHBondContact N-OE2 2.87Å; S247-E311 VanDerWaalsContact OG-CD 3.27Å; S247-E311 PolarHBondContact OG-OE1 2.92Å
248K64.3Low75Confident177 Ų17768.4 Ų68.477%0.7736%0.363SS*.Hα-helixtrans-60.7-31.6174.9-72.2-174.7179.1-179.40112.5V250 L251 T252K248-V250 VanDerWaalsContact C-N 3.28Å; K248-V250 PolarHBondContact O-N 2.97Å; K248-L251 CarbonylContact O-C 3.57Å; K248-L251 WeakPolarHBondContact O-CA 3.47Å; K248-L251 WeakPolarHBondContact O-CB 3.41Å; K248-L251 PolarHBondContact O-N 3.1Å; K248-T252 WeakPolarHBondContact O-CG2 2.99Å; K248-T252 PolarHBondContact O-N 2.9Å; K248-T252 PolarHBondContact O-OG1 3.46Å
249E61.5Low74.8Confident113 Ų11369.4 Ų69.453%0.52837%0.367SS..Hα-helixtrans-61.8-36.9177.8-63175.9-173.600111.9S247 T252 E254S247-E249 PolarHBondContact O-N 2.84Å; E249-T252 WeakPolarHBondContact CA-OG1 2.91Å; E249-T252 PolarHBondContact O-OG1 3.2Å; E249-T252 VanDerWaalsContact O-OG1 3.1Å; E249-E254 PolarHBondContact O-N 3.45Å
250V59Low74.7Confident9 Ų967.1 Ų67.16%0.05536%0.355CS..Hα-helixtrans-66.5-42.3170.9158.30000111.6V246 S247 K248 T252 G253 S256 Y281 E311V246-V250 HydrophobicContact CB-CB 4.08Å; V246-V250 HydrophobicContact CB-CG1 3.77Å; V246-V250 HydrophobicContact CG1-CG1 4.24Å; V246-V250 HydrophobicContact CG2-CB 4.22Å; V246-V250 HydrophobicContact CG2-CG1 3.61Å; S247-V250 WeakPolarHBondContact O-CB 3.47Å; S247-V250 PolarHBondContact O-N 3.48Å; S247-V250 PolarHBondContact OG-N 2.95Å; K248-V250 VanDerWaalsContact C-N 3.28Å; K248-V250 PolarHBondContact O-N 2.97Å; V250-T252 VanDerWaalsContact C-N 3.33Å; V250-T252 PolarHBondContact O-N 3.2Å; V250-G253 PolarHBondContact O-N 2.82Å; V250-S256 WeakPolarHBondContact CG2-OG 2.95Å; V250-Y281 HydrophobicContact CG1-CD1 3.23Å; V250-Y281 HydrophobicContact CG1-CD2 3.95Å; V250-Y281 HydrophobicContact CG1-CE1 3.99Å; V250-Y281 HydrophobicContact CG1-CG 3.19Å; V250-E311 WeakPolarHBondContact CB-OE1 3.15Å; V250-E311 HydrophobicContact CG2-CG 3.61Å; V250-E311 WeakPolarHBondContact CG2-OE1 3.41Å
251L58.6Low74.8Confident115 Ų11565.6 Ų65.660%0.60235%0.352SS*.Hα-helixtrans-68.1-32-179.1-62.4175.6000112.8V246 S247 K248 G253 Y281V246-L251 HydrophobicContact CG2-CD2 3.74Å; V246-L251 HydrophobicContact CG2-CG 4.06Å; S247-L251 PolarHBondContact O-N 3.25Å; K248-L251 CarbonylContact O-C 3.57Å; K248-L251 WeakPolarHBondContact O-CA 3.47Å; K248-L251 WeakPolarHBondContact O-CB 3.41Å; K248-L251 PolarHBondContact O-N 3.1Å; L251-G253 PolarHBondContact O-N 3.3Å; L251-Y281 HydrophobicContact CD2-CE1 4.03Å
252T60.1Low75.1Confident100 Ų10065.4 Ų65.461%0.61335%0.35SS*.THydrogen-bonded Turntrans-79.3-1176.654.20000113.2K248 E249 V250 E254K248-T252 WeakPolarHBondContact O-CG2 2.99Å; K248-T252 PolarHBondContact O-N 2.9Å; K248-T252 PolarHBondContact O-OG1 3.46Å; E249-T252 WeakPolarHBondContact CA-OG1 2.91Å; E249-T252 PolarHBondContact O-OG1 3.2Å; E249-T252 VanDerWaalsContact O-OG1 3.1Å; V250-T252 VanDerWaalsContact C-N 3.33Å; V250-T252 PolarHBondContact O-N 3.2Å; T252-E254 VanDerWaalsContact C-N 3.31Å; T252-E254 PolarHBondContact O-N 3.43Å
253G57.1Low75.7Confident64 Ų6461 Ų6166%0.6633%0.331SS*.THydrogen-bonded Turntrans76.313.8175.900000114.4V250 L251 R255V250-G253 PolarHBondContact O-N 2.82Å; L251-G253 PolarHBondContact O-N 3.3Å; G253-R255 PolarHBondContact O-N 3.49Å
254E58.5Low76.4Confident126 Ų12657.9 Ų57.959%0.58930%0.299SS*.SBendtrans-75.885.8179.6-73.8-169.7152.300111.2E249 T252 S256 H313E249-E254 PolarHBondContact O-N 3.45Å; T252-E254 VanDerWaalsContact C-N 3.31Å; T252-E254 PolarHBondContact O-N 3.43Å; E254-S256 WeakPolarHBondContact O-CB 3.48Å; E254-S256 PolarHBondContact O-N 3.07Å; E254-H313 PolarHBondContact O-CE1 2.84Å
255R64.2Low77Confident201 Ų20158.5 Ų58.576%0.75830%0.301SS*.SBendtrans44.212.4166.1-72.5-171-178.5-172.11.9118G253 H313G253-R255 PolarHBondContact O-N 3.49Å; R255-H313 PolarHBondContact O-CE1 3.35Å; R255-H313 PolarHBondContact O-ND1 3.25Å
256S73.7Confident78Confident10 Ų1057.4 Ų57.47%0.0729%0.288CS..  trans-90.9137.9-172-172.10000109.6V250 E254 G312V250-S256 WeakPolarHBondContact CG2-OG 2.95Å; E254-S256 WeakPolarHBondContact O-CB 3.48Å; E254-S256 PolarHBondContact O-N 3.07Å; S256-G312 WeakPolarHBondContact OG-CA 3.39Å; S256-G312 PolarHBondContact OG-N 2.82Å
257E87.2Confident78.7Confident51 Ų5160 Ų6024%0.23830%0.301CS..EExtended strand (participates in β ladder)trans-123.2152.4-169.8-54.2173.9141.800109.7P278 V279 E311 G312E257-P278 HydrophobicContact CB-CB 3.6Å; E257-P278 HydrophobicContact CG-CB 4.1Å; E257-P278 VanDerWaalsContact OE2-CB 3.25Å; E257-P278 WeakPolarHBondContact OE2-CB 3.34Å; E257-V279 CarbonylContact C-O 3.08Å; E257-V279 WeakPolarHBondContact CA-O 3.39Å; E257-E311 WeakPolarHBondContact O-CA 3.38Å; E257-G312 PolarHBondContact N-O 3.17Å; E257-G312 PolarHBondContact O-N 2.57Å
258V89.6Confident79.5Confident0 Ų061.9 Ų61.90%031%0.314CS..EExtended strand (participates in β ladder)trans-112136.5175.2-177.80000109.5P278 V279 Y281 L285 V309 F310 L322V258-P278 WeakPolarHBondContact O-CA 3.44Å; V258-V279 PolarHBondContact N-O 3.12Å; V258-V279 PolarHBondContact O-N 3.19Å; V258-Y281 HydrophobicContact CG2-CD2 4.07Å; V258-L285 HydrophobicContact CB-CD1 4.38Å; V258-L285 HydrophobicContact CB-CD2 3.69Å; V258-L285 HydrophobicContact CG1-CD2 3.4Å; V258-L285 VanDerWaalsContact CG1-CD2 3.4Å; V258-L285 HydrophobicContact CG2-CD2 4.17Å; V258-V309 HydrophobicContact CG1-CG1 3.71Å; V258-F310 VanDerWaalsContact CA-O 3.27Å; V258-F310 WeakPolarHBondContact CA-O 3.28Å; V258-F310 WeakPolarHBondContact CG1-O 2.93Å; V258-L322 HydrophobicContact CG1-CD1 4.37Å; V258-L322 HydrophobicContact CG2-CD1 4.5Å
259W93Very high80.8Confident21 Ų2160.8 Ų60.88%0.0831%0.309CS..EExtended strand (participates in β ladder)trans-144.3159.9172.668.792.3000111.2T276 F310 Q314W259-T276 WeakPolarHBondContact CA-OG1 3.35Å; W259-F310 HydrophobicContact CD2-CB 3.92Å; W259-F310 VanDerWaalsContact CE2-CB 3.41Å; W259-F310 HydrophobicContact CE3-CB 4.38Å; W259-F310 HydrophobicContact CG-CB 4.47Å; W259-F310 HydrophobicContact CH2-CB 3.98Å; W259-F310 HydrophobicContact CZ2-CB 3.46Å; W259-F310 VanDerWaalsContact CZ2-CB 3.46Å; W259-F310 HydrophobicContact CZ2-CG 4.04Å; W259-F310 HydrophobicContact CZ3-CB 4.4Å; W259-F310 PolarHBondContact N-O 2.81Å; W259-F310 AromaticContact NE1-CD2 3.86Å; W259-F310 AromaticContact NE1-CG 3.99Å; W259-F310 PolarHBondContact O-N 3.42Å; W259-Q314 HydrophobicContact CE3-CG 4.24Å; W259-Q314 HydrophobicContact CZ3-CG 4.3Å
260V95.2Very high82.4Confident0 Ų057.6 Ų57.60%030%0.297CS..EExtended strand (participates in β ladder)trans-110.9128.3176.8-168.10000109.8F238 V262 K275 T276 L287 L307 L308 V309F238-V260 HydrophobicContact CD1-CB 4.08Å; F238-V260 HydrophobicContact CD1-CG1 4.06Å; F238-V260 HydrophobicContact CD1-CG2 3.89Å; F238-V260 HydrophobicContact CE1-CB 3.93Å; F238-V260 HydrophobicContact CE1-CG1 3.49Å; F238-V260 VanDerWaalsContact CE1-CG1 3.49Å; F238-V260 HydrophobicContact CE1-CG2 4.2Å; F238-V260 HydrophobicContact CZ-CB 4.47Å; F238-V260 HydrophobicContact CZ-CG1 4.1Å; V260-V262 HydrophobicContact CG1-CG2 4.43Å; V260-K275 CarbonylContact O-C 3.58Å; V260-K275 WeakPolarHBondContact O-CA 3.4Å; V260-T276 HydrophobicContact CB-CG2 3.9Å; V260-T276 HydrophobicContact CG2-CG2 4.44Å; V260-T276 PolarHBondContact N-OG1 3.04Å; V260-T276 PolarHBondContact O-N 2.86Å; V260-L287 HydrophobicContact CG2-CD1 3.92Å; V260-L307 HydrophobicContact CG1-CB 4.2Å; V260-L308 CarbonylContact C-O 3.55Å; V260-L308 WeakPolarHBondContact CA-O 2.87Å; V260-V309 HydrophobicContact CG1-CG2 4.44Å; V260-V309 HydrophobicContact CG2-CG2 4.18Å
261K95.7Very high84.1Confident79 Ų7960.4 Ų60.434%0.34331%0.314SS..EExtended strand (participates in β ladder)trans-103.5123.7170.8-177.5177.9-175.3171.80109L308 F310K261-L308 HydrophobicContact CB-CB 4.33Å; K261-L308 PolarHBondContact N-O 2.79Å; K261-L308 PolarHBondContact O-N 3.07Å; K261-F310 HydrophobicContact CB-CD2 4.19Å; K261-F310 HydrophobicContact CB-CE2 3.97Å; K261-F310 HydrophobicContact CD-CE2 4.2Å
262V97.4Very high85.9Confident0 Ų058.7 Ų58.70%030%0.302CS..EExtended strand (participates in β ladder)trans-107.3128.4178.6-175.10000109.3F238 V260 K273 K274 L291 F293 E306 L307F238-V262 HydrophobicContact CE1-CG2 4.29Å; F238-V262 HydrophobicContact CE2-CG2 4.15Å; F238-V262 HydrophobicContact CZ-CG2 3.42Å; F238-V262 VanDerWaalsContact CZ-CG2 3.42Å; V260-V262 HydrophobicContact CG1-CG2 4.43Å; V262-K273 WeakPolarHBondContact O-CA 3.38Å; V262-K274 PolarHBondContact N-O 2.84Å; V262-K274 PolarHBondContact O-N 3.27Å; V262-L291 HydrophobicContact CB-CD1 4.3Å; V262-L291 HydrophobicContact CG2-CD1 3.67Å; V262-F293 HydrophobicContact CB-CE2 4.42Å; V262-F293 HydrophobicContact CB-CZ 3.77Å; V262-F293 HydrophobicContact CG1-CE1 4.37Å; V262-F293 HydrophobicContact CG1-CE2 3.9Å; V262-F293 HydrophobicContact CG1-CZ 3.56Å; V262-F293 HydrophobicContact CG2-CZ 4.48Å; V262-E306 CarbonylContact C-O 3.55Å; V262-E306 WeakPolarHBondContact CA-O 3.25Å; V262-L307 HydrophobicContact CG2-CG 4.39Å
263K96.9Very high87.7Confident30 Ų3060.3 Ų60.313%0.1330%0.301CS..EExtended strand (participates in β ladder)trans-113134.3167.9-50.3-166.6-145.9126.40109W265 V270 K272 K273 E306K263-W265 HydrophobicContact CD-CZ2 4.28Å; K263-V270 HydrophobicContact CB-CG1 3.96Å; K263-V270 HydrophobicContact CD-CG1 4.39Å; K263-V270 HydrophobicContact CD-CG2 4.23Å; K263-K272 WeakPolarHBondContact CA-O 3.47Å; K263-K273 HydrophobicContact CG-CG 4.25Å; K263-E306 HydrophobicContact CB-CB 4.32Å; K263-E306 VanDerWaalsContact CD-OE2 3.25Å; K263-E306 WeakPolarHBondContact CD-OE2 3.48Å; K263-E306 WeakPolarHBondContact CE-OE2 3.05Å; K263-E306 PolarHBondContact N-O 3Å; K263-E306 IonicContact NZ-OE1 2.86Å; K263-E306 PolarHBondContact NZ-OE1 2.86Å; K263-E306 IonicContact NZ-OE2 3.2Å; K263-E306 PolarHBondContact NZ-OE2 2.87Å; K263-E306 PolarHBondContact O-N 2.96Å
264V96.5Very high89.6Confident0 Ų061.7 Ų61.70%029%0.288CS..EExtended strand (participates in β ladder)trans-102120.7170.5-1750000107.2V270 V271 K272 F293 L295 T303 L305V264-V270 WeakPolarHBondContact O-CA 3.44Å; V264-V271 HydrophobicContact CB-CG2 4.18Å; V264-V271 HydrophobicContact CG1-CG2 3.97Å; V264-V271 WeakPolarHBondContact O-CG2 3.46Å; V264-V271 PolarHBondContact O-N 2.87Å; V264-K272 HydrophobicContact CB-CB 4.05Å; V264-K272 HydrophobicContact CG2-CB 4.1Å; V264-K272 PolarHBondContact N-O 3.22Å; V264-K272 PolarHBondContact O-N 2.83Å; V264-F293 HydrophobicContact CG2-CB 4.35Å; V264-F293 HydrophobicContact CG2-CD1 3.51Å; V264-F293 HydrophobicContact CG2-CD2 4.38Å; V264-F293 HydrophobicContact CG2-CE1 3.83Å; V264-F293 HydrophobicContact CG2-CG 3.82Å; V264-F293 HydrophobicContact CG2-CZ 4.42Å; V264-L295 HydrophobicContact CG1-CD2 3.89Å; V264-T303 HydrophobicContact CG1-CG2 3.77Å; V264-L305 HydrophobicContact CG1-CD2 4.37Å; V264-L305 HydrophobicContact CG2-CD2 3.9Å
265W94.5Very high91.4Very high25 Ų2561.2 Ų61.210%0.09529%0.285CS..EExtended strand (participates in β ladder)trans-102.6139.4176.4-59.286.8000109.3K263 K269 V270 T303 V304 E306 T362 H364K263-W265 HydrophobicContact CD-CZ2 4.28Å; W265-K269 CarbonylContact C-O 3.58Å; W265-K269 VanDerWaalsContact CA-O 3.29Å; W265-K269 WeakPolarHBondContact CA-O 3.26Å; W265-V270 HydrophobicContact CD2-CB 4.47Å; W265-V270 HydrophobicContact CD2-CG2 3.64Å; W265-V270 HydrophobicContact CE3-CB 4.16Å; W265-V270 HydrophobicContact CE3-CG2 3.32Å; W265-V270 HydrophobicContact CH2-CG2 3.28Å; W265-V270 HydrophobicContact CZ2-CG2 3.5Å; W265-V270 HydrophobicContact CZ3-CB 4.31Å; W265-V270 HydrophobicContact CZ3-CG2 3.15Å; W265-T303 CarbonylContact O-C 3.54Å; W265-T303 VanDerWaalsContact O-CA 3.23Å; W265-T303 WeakPolarHBondContact O-CA 3.46Å; W265-V304 HydrophobicContact CB-CB 4.19Å; W265-V304 PolarHBondContact N-O 2.78Å; W265-V304 PolarHBondContact O-N 2.84Å; W265-E306 VanDerWaalsContact CZ2-OE2 3.29Å; W265-E306 WeakPolarHBondContact CZ2-OE2 3.13Å; W265-E306 VanDerWaalsContact NE1-CB 3.34Å; W265-E306 PolarHBondContact NE1-OE2 2.85Å; W265-T362 HydrophobicContact CH2-CG2 3.44Å; W265-T362 VanDerWaalsContact CH2-CG2 3.44Å; W265-T362 HydrophobicContact CZ2-CG2 3.28Å; W265-H364 AromaticContact CD2-CD2 3.5Å; W265-H364 AromaticContact CD2-NE2 3.18Å; W265-H364 AromaticContact CE3-CD2 2.89Å; W265-H364 AromaticContact CE3-NE2 2.89Å; W265-H364 AromaticContact CG-NE2 3.57Å; W265-H364 AromaticContact CH2-CD2 3.57Å; W265-H364 AromaticContact CZ3-CD2 2.92Å; W265-H364 WeakPolarHBondContact CZ3-CD2 3.29Å; W265-H364 AromaticContact CZ3-CG 3.97Å; W265-H364 AromaticContact CZ3-NE2 3.52Å
266Q92.8Very high92.9Very high21 Ų2151.8 Ų51.810%0.09825%0.249CC..EExtended strand (participates in β ladder)trans-142134.2171.7-68.3-175.2-33.600107.5S268 K269 V271 H299 T303Q266-S268 PolarHBondContact O-N 3.3Å; Q266-K269 PolarHBondContact N-O 2.66Å; Q266-K269 PolarHBondContact O-N 2.9Å; Q266-V271 HydrophobicContact CB-CG1 3.98Å; Q266-V271 HydrophobicContact CB-CG2 4.16Å; Q266-V271 HydrophobicContact CG-CG1 4.48Å; Q266-V271 HydrophobicContact CG-CG2 3.78Å; Q266-H299 HydrophobicContact CB-CB 4.12Å; Q266-H299 HydrophobicContact CG-CB 4.01Å; Q266-T303 HydrophobicContact CG-CG2 4.42Å; Q266-T303 WeakPolarHBondContact CG-OG1 3.39Å; Q266-T303 PolarHBondContact NE2-OG1 2.8Å
267D88.7Confident93.9Very high82 Ų8257.8 Ų57.844%0.43928%0.276SS..THydrogen-bonded Turntrans45.543.3-179.5-54.7-29.2000113.9K269 H299 T302D267-K269 VanDerWaalsContact C-N 3.31Å; D267-K269 PolarHBondContact O-N 3.32Å; D267-H299 IonicContact OD1-ND1 2.67Å; D267-H299 IonicContact OD2-CE1 2.74Å; D267-H299 PolarHBondContact OD2-CE1 3.09Å; D267-H299 IonicContact OD2-CG 3.77Å; D267-H299 IonicContact OD2-ND1 2.76Å; D267-H299 PolarHBondContact OD2-ND1 3.38Å; D267-T302 PolarHBondContact N-OG1 3.2Å; D267-T302 VanDerWaalsContact OD1-CB 3.26Å; D267-T302 WeakPolarHBondContact OD1-CB 3.01Å; D267-T302 VanDerWaalsContact OD1-CG2 3.28Å; D267-T302 WeakPolarHBondContact OD1-CG2 3.35Å; D267-T302 PolarHBondContact OD1-OG1 3.47Å
268S85.1Confident94.1Very high76 Ų7656.7 Ų56.753%0.53127%0.273SS..THydrogen-bonded Turntrans68.614.8-177.7-54.90000119.4Q266 H364Q266-S268 PolarHBondContact O-N 3.3Å; S268-H364 WeakPolarHBondContact CA-CE1 3.31Å; S268-H364 WeakPolarHBondContact CA-ND1 3.33Å; S268-H364 WeakPolarHBondContact CB-ND1 3.3Å; S268-H364 PolarHBondContact OG-ND1 3.5Å
269K92.4Very high94.2Very high154 Ų15458.3 Ų58.367%0.6728%0.283SS*.EExtended strand (participates in β ladder)trans-123.3140.1179-63.6176.6-176.4173.80110.6W265 Q266 D267 V271W265-K269 CarbonylContact C-O 3.58Å; W265-K269 VanDerWaalsContact CA-O 3.29Å; W265-K269 WeakPolarHBondContact CA-O 3.26Å; Q266-K269 PolarHBondContact N-O 2.66Å; Q266-K269 PolarHBondContact O-N 2.9Å; D267-K269 VanDerWaalsContact C-N 3.31Å; D267-K269 PolarHBondContact O-N 3.32Å; K269-V271 PolarHBondContact O-N 3.01Å
270V94.4Very high93.8Very high45 Ų4566.6 Ų66.627%0.27331%0.314SS..EExtended strand (participates in β ladder)trans-72.7114170.2-170.20000108.5K263 V264 W265 K272 K273K263-V270 HydrophobicContact CB-CG1 3.96Å; K263-V270 HydrophobicContact CD-CG1 4.39Å; K263-V270 HydrophobicContact CD-CG2 4.23Å; V264-V270 WeakPolarHBondContact O-CA 3.44Å; W265-V270 HydrophobicContact CD2-CB 4.47Å; W265-V270 HydrophobicContact CD2-CG2 3.64Å; W265-V270 HydrophobicContact CE3-CB 4.16Å; W265-V270 HydrophobicContact CE3-CG2 3.32Å; W265-V270 HydrophobicContact CH2-CG2 3.28Å; W265-V270 HydrophobicContact CZ2-CG2 3.5Å; W265-V270 HydrophobicContact CZ3-CB 4.31Å; W265-V270 HydrophobicContact CZ3-CG2 3.15Å; V270-K272 WeakPolarHBondContact CG1-O 3.49Å; V270-K273 HydrophobicContact CG1-CD 4.14Å; V270-K273 VanDerWaalsContact CG1-CE 3.41Å; V270-K273 HydrophobicContact CG1-CG 3.58Å
271V94.9Very high93.2Very high68 Ų6868.9 Ų68.941%0.41232%0.323SS..EExtended strand (participates in β ladder)trans-96-28.9178.8-670000112.5V264 Q266 K269V264-V271 HydrophobicContact CB-CG2 4.18Å; V264-V271 HydrophobicContact CG1-CG2 3.97Å; V264-V271 WeakPolarHBondContact O-CG2 3.46Å; V264-V271 PolarHBondContact O-N 2.87Å; Q266-V271 HydrophobicContact CB-CG1 3.98Å; Q266-V271 HydrophobicContact CB-CG2 4.16Å; Q266-V271 HydrophobicContact CG-CG1 4.48Å; Q266-V271 HydrophobicContact CG-CG2 3.78Å; K269-V271 PolarHBondContact O-N 3.01Å
272K96.6Very high92.3Very high79 Ų7967.6 Ų67.634%0.34332%0.324SS..EExtended strand (participates in β ladder)trans-141.3145.7-180-59.9-175.2177.6-175.90111.4K263 V264 V270 F293 T294K263-K272 WeakPolarHBondContact CA-O 3.47Å; V264-K272 HydrophobicContact CB-CB 4.05Å; V264-K272 HydrophobicContact CG2-CB 4.1Å; V264-K272 PolarHBondContact N-O 3.22Å; V264-K272 PolarHBondContact O-N 2.83Å; V270-K272 WeakPolarHBondContact CG1-O 3.49Å; K272-F293 HydrophobicContact CB-CD1 4.05Å; K272-F293 HydrophobicContact CB-CE1 4.48Å; K272-F293 HydrophobicContact CD-CD1 4.42Å; K272-T294 WeakPolarHBondContact CE-O 3.01Å; K272-T294 PolarHBondContact NZ-O 2.94Å
273K97.1Very high91.3Very high135 Ų13572.6 Ų72.659%0.58736%0.359SS*.EExtended strand (participates in β ladder)trans-136.9130.9175-61.6177.8-175.1166.80109V262 K263 V270V262-K273 WeakPolarHBondContact O-CA 3.38Å; K263-K273 HydrophobicContact CG-CG 4.25Å; V270-K273 HydrophobicContact CG1-CD 4.14Å; V270-K273 VanDerWaalsContact CG1-CE 3.41Å; V270-K273 HydrophobicContact CG1-CG 3.58Å
274K97.9Very high90.5Very high92 Ų9274.5 Ų74.540%0.438%0.375SS..EExtended strand (participates in β ladder)trans-139161170.5-70.1-171.6174.4-172.80109.6V262 L291 S292 F293V262-K274 PolarHBondContact N-O 2.84Å; V262-K274 PolarHBondContact O-N 3.27Å; K274-L291 HydrophobicContact CB-CD1 3.97Å; K274-L291 HydrophobicContact CB-CD2 4.25Å; K274-S292 PolarHBondContact NZ-O 2.63Å; K274-F293 HydrophobicContact CB-CE1 3.85Å; K274-F293 HydrophobicContact CB-CZ 3.89Å; K274-F293 HydrophobicContact CD-CD1 4.28Å; K274-F293 HydrophobicContact CD-CE1 3.76Å; K274-F293 HydrophobicContact CD-CZ 4.09Å; K274-F293 HydrophobicContact CG-CE1 3.7Å; K274-F293 HydrophobicContact CG-CZ 4.17Å
275K95.8Very high90Very high117 Ų11774.5 Ų74.551%0.50938%0.375SS..EExtended strand (participates in β ladder)trans-133.9150.5172.263.4172.8-176167.80110.3V260 Q314V260-K275 CarbonylContact O-C 3.58Å; V260-K275 WeakPolarHBondContact O-CA 3.4Å; K275-Q314 VanDerWaalsContact NZ-NE2 3.14Å
276T96.4Very high89.9Confident2 Ų276.3 Ų76.31%0.01239%0.389CS..PPolyproline II helixtrans-70.3161.8169.567.50000109.8F238 W259 V260 Q289 L291F238-T276 HydrophobicContact CD2-CG2 3.82Å; F238-T276 HydrophobicContact CE2-CG2 4.08Å; F238-T276 HydrophobicContact CG-CG2 4.24Å; W259-T276 WeakPolarHBondContact CA-OG1 3.35Å; V260-T276 HydrophobicContact CB-CG2 3.9Å; V260-T276 HydrophobicContact CG2-CG2 4.44Å; V260-T276 PolarHBondContact N-OG1 3.04Å; V260-T276 PolarHBondContact O-N 2.86Å; T276-Q289 HydrophobicContact CG2-CB 4.47Å; T276-L291 HydrophobicContact CG2-CD1 4.03Å; T276-L291 HydrophobicContact CG2-CG 4.35Å
277Q94.2Very high89.9Confident136 Ų13675.8 Ų75.864%0.63639%0.386SS*.PPolyproline II helixtrans-65.2142.3162-61.6-61.7-19.400108.8Q289Q277-Q289 PolarHBondContact O-NE2 2.93Å; Q277-Q289 PolarHBondContact O-OE1 3.1Å
278P91.5Very high90.3Very high28 Ų2877.4 Ų77.418%0.18240%0.395CS..PPolyproline II helixtrans-60144.8171.6-19.432.2000111.5E257 V258 Q314E257-P278 HydrophobicContact CB-CB 3.6Å; E257-P278 HydrophobicContact CG-CB 4.1Å; E257-P278 VanDerWaalsContact OE2-CB 3.25Å; E257-P278 WeakPolarHBondContact OE2-CB 3.34Å; V258-P278 WeakPolarHBondContact O-CA 3.44Å; P278-Q314 HydrophobicContact CB-CG 4.27Å; P278-Q314 HydrophobicContact CG-CG 3.38Å; P278-Q314 VanDerWaalsContact CG-OE1 3.23Å
279V90.5Very high90.8Very high34 Ų3475.9 Ų75.921%0.20638%0.379CS..EExtended strand (participates in β ladder)trans-126.4137.4172.5-1730000107.6E257 V258 Y281 L285 L287E257-V279 CarbonylContact C-O 3.08Å; E257-V279 WeakPolarHBondContact CA-O 3.39Å; V258-V279 PolarHBondContact N-O 3.12Å; V258-V279 PolarHBondContact O-N 3.19Å; V279-Y281 PolarHBondContact O-N 2.85Å; V279-L285 HydrophobicContact CB-CD1 4.48Å; V279-L285 HydrophobicContact CG1-CD1 4.38Å; V279-L287 HydrophobicContact CB-CD2 4.49Å; V279-L287 HydrophobicContact CG2-CD2 4.09Å
280R86.5Confident91.1Very high195 Ų19571.4 Ų71.474%0.73637%0.371SS*.EExtended strand (participates in β ladder)trans-61.8138.9171.2-70.4-176-178143.21.6109.4S282R280-S282 PolarHBondContact O-N 2.84Å
281Y80.6Confident91.3Very high48 Ų4870.3 Ų70.319%0.18836%0.364CS..  trans-62.3139.4-178.7-175.8-105.8000112.2I244 V246 V250 L251 V258 V279 L285I244-Y281 HydrophobicContact CG2-CE2 3.59Å; V246-Y281 HydrophobicContact CG1-CD2 4Å; V246-Y281 HydrophobicContact CG1-CE2 3.67Å; V246-Y281 HydrophobicContact CG2-CD1 4.32Å; V246-Y281 HydrophobicContact CG2-CE1 3.77Å; V246-Y281 HydrophobicContact CG2-CE2 4.08Å; V250-Y281 HydrophobicContact CG1-CD1 3.23Å; V250-Y281 HydrophobicContact CG1-CD2 3.95Å; V250-Y281 HydrophobicContact CG1-CE1 3.99Å; V250-Y281 HydrophobicContact CG1-CG 3.19Å; L251-Y281 HydrophobicContact CD2-CE1 4.03Å; V258-Y281 HydrophobicContact CG2-CD2 4.07Å; V279-Y281 PolarHBondContact O-N 2.85Å; Y281-L285 HydrophobicContact CD2-CB 4.34Å; Y281-L285 HydrophobicContact CD2-CD1 4.34Å; Y281-L285 HydrophobicContact CE2-CB 4.27Å
282S77.4Confident91.4Very high52 Ų5268.3 Ų68.336%0.36435%0.353SS..  trans-140160.3169.142.30000107.5R280 P284 L285R280-S282 PolarHBondContact O-N 2.84Å; S282-P284 VanDerWaalsContact C-C 3.46Å; S282-P284 CarbonylContact C-O 3.57Å; S282-P284 CarbonylContact O-C 3.58Å; S282-P284 PolarHBondContact OG-O 2.94Å; S282-L285 WeakPolarHBondContact O-CA 3.16Å; S282-L285 PolarHBondContact O-N 2.5Å
283S76.3Confident91.4Very high105 Ų10564.7 Ų64.773%0.73434%0.337SS*.SBendtrans-119.7111174.7-173.20000109.4
284P81Confident91.4Very high71 Ų7162.1 Ų62.146%0.46133%0.333SS..SBendcis-68.5153.9-3.631-35.3000112.3T241 S282 V286T241-P284 WeakPolarHBondContact O-CB 3.29Å; S282-P284 VanDerWaalsContact C-C 3.46Å; S282-P284 CarbonylContact C-O 3.57Å; S282-P284 CarbonylContact O-C 3.58Å; S282-P284 PolarHBondContact OG-O 2.94Å; P284-V286 PolarHBondContact O-N 3.24Å
285L86.1Confident91.2Very high0 Ų058.1 Ų58.10%032%0.316CS..PPolyproline II helixtrans-75.3121.8174.2173.771.2000108.3R240 T241 V258 V279 Y281 S282 L287R240-L285 CarbonylContact C-O 3.56Å; R240-L285 WeakPolarHBondContact CA-O 3.22Å; R240-L285 VanDerWaalsContact CB-O 3.26Å; R240-L285 WeakPolarHBondContact CB-O 3.5Å; T241-L285 HydrophobicContact CG2-CB 4.25Å; T241-L285 HydrophobicContact CG2-CD2 4.03Å; T241-L285 PolarHBondContact N-O 3.01Å; T241-L285 WeakPolarHBondContact OG1-CB 3.34Å; V258-L285 HydrophobicContact CB-CD1 4.38Å; V258-L285 HydrophobicContact CB-CD2 3.69Å; V258-L285 HydrophobicContact CG1-CD2 3.4Å; V258-L285 VanDerWaalsContact CG1-CD2 3.4Å; V258-L285 HydrophobicContact CG2-CD2 4.17Å; V279-L285 HydrophobicContact CB-CD1 4.48Å; V279-L285 HydrophobicContact CG1-CD1 4.38Å; Y281-L285 HydrophobicContact CD2-CB 4.34Å; Y281-L285 HydrophobicContact CD2-CD1 4.34Å; Y281-L285 HydrophobicContact CE2-CB 4.27Å; S282-L285 WeakPolarHBondContact O-CA 3.16Å; S282-L285 PolarHBondContact O-N 2.5Å; L285-L287 HydrophobicContact CD2-CD2 4.23Å; L285-L287 HydrophobicContact CD2-CG 4.25Å; L285-L287 HydrophobicContact CG-CG 4.34Å
286V92.3Very high90.8Very high63 Ų6354.9 Ų54.938%0.38231%0.308SS..EExtended strand (participates in β ladder)trans-103.8118.1174.7-178.30000109.1R240 P284 N288R240-V286 HydrophobicContact CB-CG2 4.45Å; P284-V286 PolarHBondContact O-N 3.24Å; V286-N288 HydrophobicContact CG1-CB 4.42Å; V286-N288 VanDerWaalsContact CG1-ND2 3.27Å; V286-N288 WeakPolarHBondContact CG1-ND2 3.13Å
287L93.5Very high90.2Very high10 Ų1057.7 Ų57.75%0.05232%0.323CS..EExtended strand (participates in β ladder)trans-93.5-53.7179.7-70.8161.1000110.6L221 F238 L239 V260 V279 L285 Q289L221-L287 HydrophobicContact CD1-CD1 3.89Å; F238-L287 HydrophobicContact CB-CB 3.97Å; F238-L287 HydrophobicContact CB-CD1 3.87Å; L239-L287 PolarHBondContact O-N 3.42Å; V260-L287 HydrophobicContact CG2-CD1 3.92Å; V279-L287 HydrophobicContact CB-CD2 4.49Å; V279-L287 HydrophobicContact CG2-CD2 4.09Å; L285-L287 HydrophobicContact CD2-CD2 4.23Å; L285-L287 HydrophobicContact CD2-CG 4.25Å; L285-L287 HydrophobicContact CG-CG 4.34Å; L287-Q289 VanDerWaalsContact C-N 3.28Å; L287-Q289 WeakPolarHBondContact O-CG 3.46Å; L287-Q289 PolarHBondContact O-N 3.32Å
288N95.2Very high89.9Confident115 Ų11555.3 Ų55.362%0.61533%0.326SS*.EExtended strand (participates in β ladder)trans44.947.6-174.9-70.7-18.3000114.1F238 L239 V286F238-N288 VanDerWaalsContact O-CA 3.22Å; F238-N288 WeakPolarHBondContact O-CA 3.47Å; F238-N288 PolarHBondContact O-N 3.01Å; L239-N288 PolarHBondContact O-N 3.27Å; L239-N288 VanDerWaalsContact O-N 3.16Å; L239-N288 PolarHBondContact O-OD1 3.21Å; V286-N288 HydrophobicContact CG1-CB 4.42Å; V286-N288 VanDerWaalsContact CG1-ND2 3.27Å; V286-N288 WeakPolarHBondContact CG1-ND2 3.13Å
289Q97.6Very high89.8Confident44 Ų4456.9 Ų56.921%0.20633%0.331CS..EExtended strand (participates in β ladder)trans-124.3153.7179.3-70.1-179.234.900111.1S237 F238 T276 Q277 L287S237-Q289 CarbonylContact C-O 3.53Å; S237-Q289 WeakPolarHBondContact CA-O 3.39Å; F238-Q289 WeakPolarHBondContact CD2-O 3.39Å; F238-Q289 PolarHBondContact N-O 3.23Å; F238-Q289 PolarHBondContact O-N 3.09Å; T276-Q289 HydrophobicContact CG2-CB 4.47Å; Q277-Q289 PolarHBondContact O-NE2 2.93Å; Q277-Q289 PolarHBondContact O-OE1 3.1Å; L287-Q289 VanDerWaalsContact C-N 3.28Å; L287-Q289 WeakPolarHBondContact O-CG 3.46Å; L287-Q289 PolarHBondContact O-N 3.32Å
290A97.7Very high89.9Confident60 Ų6056.4 Ų56.450%0.49633%0.327SS..EExtended strand (participates in β ladder)trans-128.5141.2177.300000111.8V235 V236V235-A290 HydrophobicContact CG1-CB 4.23Å; V236-A290 CarbonylContact O-C 3.4Å; V236-A290 WeakPolarHBondContact O-CA 3.44Å
291L98.2Very high90Very high22 Ų2254.2 Ų54.212%0.11533%0.325CS..EExtended strand (participates in β ladder)trans-120.2132.8172.6-62.5177.7000108.9V236 F238 V262 K274 T276 F293V236-L291 PolarHBondContact N-O 2.94Å; V236-L291 PolarHBondContact O-N 3.04Å; F238-L291 HydrophobicContact CE2-CB 4.28Å; F238-L291 HydrophobicContact CE2-CD1 3.9Å; F238-L291 HydrophobicContact CE2-CG 4Å; F238-L291 HydrophobicContact CZ-CD1 4.42Å; V262-L291 HydrophobicContact CB-CD1 4.3Å; V262-L291 HydrophobicContact CG2-CD1 3.67Å; K274-L291 HydrophobicContact CB-CD1 3.97Å; K274-L291 HydrophobicContact CB-CD2 4.25Å; T276-L291 HydrophobicContact CG2-CD1 4.03Å; T276-L291 HydrophobicContact CG2-CG 4.35Å; L291-F293 HydrophobicContact CB-CE2 3.84Å; L291-F293 HydrophobicContact CB-CZ 4.01Å
292S97.3Very high90.5Very high27 Ų2754.8 Ų54.819%0.18933%0.334CS..EExtended strand (participates in β ladder)trans-113.9142.2178.171.50000113R233 L234 K274R233-S292 VanDerWaalsContact NE-CB 3.29Å; R233-S292 PolarHBondContact NE-OG 2.72Å; R233-S292 PolarHBondContact NH2-OG 3.34Å; L234-S292 CarbonylContact O-C 3.54Å; L234-S292 VanDerWaalsContact O-CA 3.23Å; L234-S292 WeakPolarHBondContact O-CA 3.11Å; K274-S292 PolarHBondContact NZ-O 2.63Å
293F97.1Very high91.3Very high2 Ų252.3 Ų52.31%0.00932%0.317CS..EExtended strand (participates in β ladder)trans-130.1126.6-179.6-54.4-89.9000109.5R233 L234 V236 V262 V264 K272 K274 L291 L295R233-F293 WeakPolarHBondContact CA-O 3.42Å; L234-F293 PolarHBondContact N-O 3.14Å; L234-F293 PolarHBondContact O-N 2.46Å; V236-F293 HydrophobicContact CG2-CD2 4.15Å; V236-F293 HydrophobicContact CG2-CE2 3.99Å; V262-F293 HydrophobicContact CB-CE2 4.42Å; V262-F293 HydrophobicContact CB-CZ 3.77Å; V262-F293 HydrophobicContact CG1-CE1 4.37Å; V262-F293 HydrophobicContact CG1-CE2 3.9Å; V262-F293 HydrophobicContact CG1-CZ 3.56Å; V262-F293 HydrophobicContact CG2-CZ 4.48Å; V264-F293 HydrophobicContact CG2-CB 4.35Å; V264-F293 HydrophobicContact CG2-CD1 3.51Å; V264-F293 HydrophobicContact CG2-CD2 4.38Å; V264-F293 HydrophobicContact CG2-CE1 3.83Å; V264-F293 HydrophobicContact CG2-CG 3.82Å; V264-F293 HydrophobicContact CG2-CZ 4.42Å; K272-F293 HydrophobicContact CB-CD1 4.05Å; K272-F293 HydrophobicContact CB-CE1 4.48Å; K272-F293 HydrophobicContact CD-CD1 4.42Å; K274-F293 HydrophobicContact CB-CE1 3.85Å; K274-F293 HydrophobicContact CB-CZ 3.89Å; K274-F293 HydrophobicContact CD-CD1 4.28Å; K274-F293 HydrophobicContact CD-CE1 3.76Å; K274-F293 HydrophobicContact CD-CZ 4.09Å; K274-F293 HydrophobicContact CG-CE1 3.7Å; K274-F293 HydrophobicContact CG-CZ 4.17Å; L291-F293 HydrophobicContact CB-CE2 3.84Å; L291-F293 HydrophobicContact CB-CZ 4.01Å; F293-L295 HydrophobicContact CB-CD2 4.17Å
294T95.9Very high92.1Very high82 Ų8248.7 Ų48.750%0.50329%0.29SS..EExtended strand (participates in β ladder)trans-72130.6163.3-46.80000107.9K232 K272K232-T294 CarbonylContact O-C 3.42Å; K232-T294 VanDerWaalsContact O-CA 3.26Å; K232-T294 WeakPolarHBondContact O-CA 3.39Å; K272-T294 WeakPolarHBondContact CE-O 3.01Å; K272-T294 PolarHBondContact NZ-O 2.94Å
295L93.4Very high92.9Very high8 Ų845.3 Ų45.34%0.04227%0.268CS..  trans-111.6160.6176.2-58.3-177.5000109.4Y227 K232 L234 V264 F293 L300 T303 W340Y227-L295 HydrophobicContact CD2-CD1 4.46Å; Y227-L295 HydrophobicContact CE2-CB 4.25Å; Y227-L295 HydrophobicContact CE2-CD1 4.16Å; Y227-L295 HydrophobicContact CE2-CG 4.46Å; K232-L295 VanDerWaalsContact CB-O 3.23Å; K232-L295 WeakPolarHBondContact CB-O 2.76Å; K232-L295 PolarHBondContact O-N 2.84Å; L234-L295 HydrophobicContact CB-CD1 3.77Å; L234-L295 HydrophobicContact CB-CG 4.16Å; L234-L295 HydrophobicContact CD2-CD1 3.97Å; L234-L295 HydrophobicContact CG-CD1 4.46Å; V264-L295 HydrophobicContact CG1-CD2 3.89Å; F293-L295 HydrophobicContact CB-CD2 4.17Å; L295-L300 HydrophobicContact CB-CD2 4.12Å; L295-L300 HydrophobicContact CD1-CD2 3.83Å; L295-T303 HydrophobicContact CD1-CG2 4.39Å; L295-T303 HydrophobicContact CD2-CG2 4.41Å; L295-W340 HydrophobicContact CD1-CH2 4.32Å
296S88.7Confident93.3Very high48 Ų4845.3 Ų45.334%0.33627%0.268SS..  trans-100.5129.1169.61780000107.8A298 H299S296-A298 PolarHBondContact O-N 2.87Å; S296-H299 PolarHBondContact O-N 3.4Å; S296-H299 VanDerWaalsContact O-N 3.13Å
297D82.7Confident93.5Very high62 Ų6242.3 Ų42.333%0.33225%0.25SC..G310 helixtrans-59.2-31.9-179.9-56.4-37.8000111.7Y227 K232 H299 L300Y227-D297 PolarHBondContact OH-OD1 3.23Å; K232-D297 VanDerWaalsContact CD-OD2 3.27Å; K232-D297 WeakPolarHBondContact CD-OD2 3.35Å; K232-D297 WeakPolarHBondContact CE-OD2 3.2Å; K232-D297 IonicContact NZ-OD2 3.6Å; K232-D297 PolarHBondContact NZ-OD2 3.1Å; D297-H299 PolarHBondContact O-N 3.15Å; D297-H299 VanDerWaalsContact O-N 3.08Å; D297-L300 HydrophobicContact CB-CD1 4.34Å; D297-L300 PolarHBondContact O-N 3.46Å
298A88.8Confident93.5Very high85 Ų8542.1 Ų42.170%0.70225%0.249SC*.G310 helixtrans-61.8-17.9179.900000114.3S296S296-A298 PolarHBondContact O-N 2.87Å
299H90.2Very high93.4Very high61 Ų6136.7 Ų36.728%0.28222%0.22SC..G310 helixtrans-122.312.6-176.4-57.3-71.9000112.7Q266 D267 S296 D297 E301 T302 T303Q266-H299 HydrophobicContact CB-CB 4.12Å; Q266-H299 HydrophobicContact CG-CB 4.01Å; D267-H299 IonicContact OD1-ND1 2.67Å; D267-H299 IonicContact OD2-CE1 2.74Å; D267-H299 PolarHBondContact OD2-CE1 3.09Å; D267-H299 IonicContact OD2-CG 3.77Å; D267-H299 IonicContact OD2-ND1 2.76Å; D267-H299 PolarHBondContact OD2-ND1 3.38Å; S296-H299 PolarHBondContact O-N 3.4Å; S296-H299 VanDerWaalsContact O-N 3.13Å; D297-H299 PolarHBondContact O-N 3.15Å; D297-H299 VanDerWaalsContact O-N 3.08Å; H299-E301 VanDerWaalsContact C-N 3.3Å; H299-E301 PolarHBondContact O-N 3.21Å; H299-T302 CarbonylContact O-C 3.47Å; H299-T302 PolarHBondContact O-N 3.29Å; H299-T302 PolarHBondContact O-OG1 3.3Å; H299-T303 WeakPolarHBondContact O-CB 3.5Å; H299-T303 PolarHBondContact O-N 3.04Å; H299-T303 PolarHBondContact O-OG1 2.85Å
300L90.9Very high93.1Very high25 Ų2536 Ų3613%0.13122%0.216CC..THydrogen-bonded Turntrans-60.7-39.6-177.1-76.4173.1000112.2Y227 L295 D297 T302 T303 W340 I344Y227-L300 HydrophobicContact CE1-CD1 4.07Å; L295-L300 HydrophobicContact CB-CD2 4.12Å; L295-L300 HydrophobicContact CD1-CD2 3.83Å; D297-L300 HydrophobicContact CB-CD1 4.34Å; D297-L300 PolarHBondContact O-N 3.46Å; L300-T302 VanDerWaalsContact C-N 3.27Å; L300-T302 PolarHBondContact O-N 3.4Å; L300-T303 WeakPolarHBondContact O-CB 3.41Å; L300-T303 PolarHBondContact O-N 3.49Å; L300-T303 VanDerWaalsContact O-N 3.13Å; L300-W340 WeakPolarHBondContact O-CZ2 3.33Å; L300-I344 HydrophobicContact CD1-CG2 4.22Å; L300-I344 HydrophobicContact CD2-CG2 4.33Å
301E89.3Confident92.5Very high149 Ų14933.3 Ų33.370%0.69619%0.193SC*.THydrogen-bonded Turntrans-62.5-33.7177.8-62.9-176.5170.900112.7H299 Q329H299-E301 VanDerWaalsContact C-N 3.3Å; H299-E301 PolarHBondContact O-N 3.21Å; E301-Q329 PolarHBondContact O-OE1 3.03Å
302T91.3Very high91.7Very high60 Ų6032.7 Ų32.737%0.36819%0.192SC..THydrogen-bonded Turntrans-95.41.5178.470.20000113D267 H299 L300 V304D267-T302 PolarHBondContact N-OG1 3.2Å; D267-T302 VanDerWaalsContact OD1-CB 3.26Å; D267-T302 WeakPolarHBondContact OD1-CB 3.01Å; D267-T302 VanDerWaalsContact OD1-CG2 3.28Å; D267-T302 WeakPolarHBondContact OD1-CG2 3.35Å; D267-T302 PolarHBondContact OD1-OG1 3.47Å; H299-T302 CarbonylContact O-C 3.47Å; H299-T302 PolarHBondContact O-N 3.29Å; H299-T302 PolarHBondContact O-OG1 3.3Å; L300-T302 VanDerWaalsContact C-N 3.27Å; L300-T302 PolarHBondContact O-N 3.4Å; T302-V304 PolarHBondContact O-N 2.8Å
303T94Very high90.7Very high0 Ų032 Ų320%019%0.186CC..  trans-76.6127.2-178.3-62.90000110.7V264 W265 Q266 L295 H299 L300 W340V264-T303 HydrophobicContact CG1-CG2 3.77Å; W265-T303 CarbonylContact O-C 3.54Å; W265-T303 VanDerWaalsContact O-CA 3.23Å; W265-T303 WeakPolarHBondContact O-CA 3.46Å; Q266-T303 HydrophobicContact CG-CG2 4.42Å; Q266-T303 WeakPolarHBondContact CG-OG1 3.39Å; Q266-T303 PolarHBondContact NE2-OG1 2.8Å; L295-T303 HydrophobicContact CD1-CG2 4.39Å; L295-T303 HydrophobicContact CD2-CG2 4.41Å; H299-T303 WeakPolarHBondContact O-CB 3.5Å; H299-T303 PolarHBondContact O-N 3.04Å; H299-T303 PolarHBondContact O-OG1 2.85Å; L300-T303 WeakPolarHBondContact O-CB 3.41Å; L300-T303 PolarHBondContact O-N 3.49Å; L300-T303 VanDerWaalsContact O-N 3.13Å; T303-W340 HydrophobicContact CG2-CH2 3.43Å; T303-W340 VanDerWaalsContact CG2-CH2 3.43Å; T303-W340 HydrophobicContact CG2-CZ2 4.06Å; T303-W340 HydrophobicContact CG2-CZ3 4.28Å
304V93.8Very high89.2Confident28 Ų2835.5 Ų35.517%0.1720%0.203CC..EExtended strand (participates in β ladder)trans-127.8129.6174.1179.50000109.6W265 T302 V326 P363W265-V304 HydrophobicContact CB-CB 4.19Å; W265-V304 PolarHBondContact N-O 2.78Å; W265-V304 PolarHBondContact O-N 2.84Å; T302-V304 PolarHBondContact O-N 2.8Å; V304-V326 HydrophobicContact CG1-CG1 3.51Å; V304-P363 HydrophobicContact CG1-CB 4.17Å; V304-P363 HydrophobicContact CG1-CG 3.89Å
305L96.2Very high87.8Confident0 Ų039.9 Ų39.90%021%0.21CC..EExtended strand (participates in β ladder)trans-91.3123169-49.7175.5000108.9L225 L234 V236 V264 L307 V326 I327 W340L225-L305 HydrophobicContact CD2-CD1 4.15Å; L234-L305 HydrophobicContact CD2-CD1 3.69Å; L234-L305 HydrophobicContact CD2-CD2 3.81Å; L234-L305 HydrophobicContact CD2-CG 4.27Å; V236-L305 HydrophobicContact CG2-CD1 4.21Å; V264-L305 HydrophobicContact CG1-CD2 4.37Å; V264-L305 HydrophobicContact CG2-CD2 3.9Å; L305-L307 HydrophobicContact CB-CD1 3.83Å; L305-V326 WeakPolarHBondContact O-CA 3.15Å; L305-I327 HydrophobicContact CB-CB 4.22Å; L305-I327 HydrophobicContact CD1-CB 4.32Å; L305-I327 HydrophobicContact CD1-CG2 4.29Å; L305-I327 PolarHBondContact N-O 2.7Å; L305-I327 PolarHBondContact O-N 2.92Å; L305-W340 HydrophobicContact CD1-CE3 4.32Å; L305-W340 HydrophobicContact CD1-CZ3 3.95Å; L305-W340 HydrophobicContact CD2-CZ3 4.37Å; L305-W340 HydrophobicContact CG-CE3 4.44Å; L305-W340 HydrophobicContact CG-CZ3 3.86Å
306E95.2Very high86.4Confident0 Ų045.9 Ų45.90%023%0.232CC..EExtended strand (participates in β ladder)trans-109.2113.2170-178.7-162.1-16600108V262 K263 W265 L308 R324 P363V262-E306 CarbonylContact C-O 3.55Å; V262-E306 WeakPolarHBondContact CA-O 3.25Å; K263-E306 HydrophobicContact CB-CB 4.32Å; K263-E306 VanDerWaalsContact CD-OE2 3.25Å; K263-E306 WeakPolarHBondContact CD-OE2 3.48Å; K263-E306 WeakPolarHBondContact CE-OE2 3.05Å; K263-E306 PolarHBondContact N-O 3Å; K263-E306 IonicContact NZ-OE1 2.86Å; K263-E306 PolarHBondContact NZ-OE1 2.86Å; K263-E306 IonicContact NZ-OE2 3.2Å; K263-E306 PolarHBondContact NZ-OE2 2.87Å; K263-E306 PolarHBondContact O-N 2.96Å; W265-E306 VanDerWaalsContact CZ2-OE2 3.29Å; W265-E306 WeakPolarHBondContact CZ2-OE2 3.13Å; W265-E306 VanDerWaalsContact NE1-CB 3.34Å; W265-E306 PolarHBondContact NE1-OE2 2.85Å; E306-L308 HydrophobicContact CG-CD2 4.29Å; E306-L308 HydrophobicContact CG-CG 4.25Å; E306-R324 HydrophobicContact CG-CG 4.16Å; E306-R324 IonicContact OE1-CZ 3.88Å; E306-R324 IonicContact OE1-NE 2.72Å; E306-R324 IonicContact OE1-NH1 3.47Å; E306-R324 PolarHBondContact OE1-NH1 3.22Å; E306-R324 IonicContact OE1-NH2 2.7Å; E306-P363 HydrophobicContact CB-CG 4.44Å
307L97Very high84.8Confident0 Ų052.6 Ų52.60%026%0.263CS..EExtended strand (participates in β ladder)trans-106.5122.5-180-52.979.8000107.6L223 V236 F238 V260 V262 L305 R324 V325 I327L223-L307 HydrophobicContact CD1-CD2 3.62Å; L223-L307 HydrophobicContact CD2-CD2 4.15Å; V236-L307 HydrophobicContact CG1-CD2 4.12Å; F238-L307 HydrophobicContact CE1-CD2 3.49Å; F238-L307 VanDerWaalsContact CE1-CD2 3.49Å; F238-L307 HydrophobicContact CZ-CD2 3.85Å; V260-L307 HydrophobicContact CG1-CB 4.2Å; V262-L307 HydrophobicContact CG2-CG 4.39Å; L305-L307 HydrophobicContact CB-CD1 3.83Å; L307-R324 CarbonylContact O-C 3.56Å; L307-R324 VanDerWaalsContact O-CA 3.25Å; L307-R324 WeakPolarHBondContact O-CA 3.24Å; L307-V325 HydrophobicContact CB-CB 4.22Å; L307-V325 HydrophobicContact CD1-CB 4.4Å; L307-V325 HydrophobicContact CD1-CG1 4.32Å; L307-V325 WeakPolarHBondContact CD1-O 3.38Å; L307-V325 PolarHBondContact N-O 2.89Å; L307-V325 PolarHBondContact O-N 2.87Å; L307-I327 HydrophobicContact CD1-CD1 4.15Å; L307-I327 HydrophobicContact CD1-CG1 4.17Å
308L93.6Very high83.6Confident7 Ų753.5 Ų53.54%0.03728%0.279CS..EExtended strand (participates in β ladder)trans-117.5117.1-176.3-62.9166.9000108.8V260 K261 E306 F310 L321 R324V260-L308 CarbonylContact C-O 3.55Å; V260-L308 WeakPolarHBondContact CA-O 2.87Å; K261-L308 HydrophobicContact CB-CB 4.33Å; K261-L308 PolarHBondContact N-O 2.79Å; K261-L308 PolarHBondContact O-N 3.07Å; E306-L308 HydrophobicContact CG-CD2 4.29Å; E306-L308 HydrophobicContact CG-CG 4.25Å; L308-F310 HydrophobicContact CB-CD2 4.07Å; L308-F310 HydrophobicContact CB-CE2 3.47Å; L308-F310 VanDerWaalsContact CB-CE2 3.47Å; L308-F310 HydrophobicContact CB-CZ 4.21Å; L308-F310 HydrophobicContact CD1-CE2 4.08Å; L308-F310 HydrophobicContact CD1-CZ 4.32Å; L308-F310 HydrophobicContact CG-CE2 4.39Å; L308-L321 HydrophobicContact CB-CD1 3.88Å; L308-L321 HydrophobicContact CD2-CD1 3.83Å; L308-L321 HydrophobicContact CD2-CD2 4.32Å; L308-L321 HydrophobicContact CG-CD1 4.43Å; L308-R324 HydrophobicContact CD2-CB 4.06Å; L308-R324 HydrophobicContact CD2-CG 3.84Å
309V92.5Very high83Confident1 Ų151.9 Ų51.91%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-92.7120.5177.9-172.20000108.3L221 I244 V258 V260 L322 G323 L356L221-V309 HydrophobicContact CD2-CG2 4Å; I244-V309 HydrophobicContact CD1-CG1 4Å; V258-V309 HydrophobicContact CG1-CG1 3.71Å; V260-V309 HydrophobicContact CG1-CG2 4.44Å; V260-V309 HydrophobicContact CG2-CG2 4.18Å; V309-L322 HydrophobicContact CB-CB 4.32Å; V309-L322 HydrophobicContact CG1-CB 4.29Å; V309-L322 HydrophobicContact CG1-CD1 4.03Å; V309-L322 WeakPolarHBondContact O-CB 3.37Å; V309-L322 PolarHBondContact O-N 2.82Å; V309-G323 PolarHBondContact N-O 3.48Å; V309-G323 PolarHBondContact O-N 3.46Å; V309-L356 HydrophobicContact CB-CD1 3.96Å; V309-L356 HydrophobicContact CB-CD2 4.14Å; V309-L356 HydrophobicContact CG2-CD1 3.47Å; V309-L356 VanDerWaalsContact CG2-CD1 3.47Å; V309-L356 HydrophobicContact CG2-CD2 4.27Å
310F90.6Very high82.6Confident29 Ų2953.2 Ų53.213%0.12727%0.272CS..EExtended strand (participates in β ladder)trans-113.2150.7-178.7-74.8-85.4000111.2V258 W259 K261 L308 S319 N320 L321V258-F310 VanDerWaalsContact CA-O 3.27Å; V258-F310 WeakPolarHBondContact CA-O 3.28Å; V258-F310 WeakPolarHBondContact CG1-O 2.93Å; W259-F310 HydrophobicContact CD2-CB 3.92Å; W259-F310 VanDerWaalsContact CE2-CB 3.41Å; W259-F310 HydrophobicContact CE3-CB 4.38Å; W259-F310 HydrophobicContact CG-CB 4.47Å; W259-F310 HydrophobicContact CH2-CB 3.98Å; W259-F310 HydrophobicContact CZ2-CB 3.46Å; W259-F310 VanDerWaalsContact CZ2-CB 3.46Å; W259-F310 HydrophobicContact CZ2-CG 4.04Å; W259-F310 HydrophobicContact CZ3-CB 4.4Å; W259-F310 PolarHBondContact N-O 2.81Å; W259-F310 AromaticContact NE1-CD2 3.86Å; W259-F310 AromaticContact NE1-CG 3.99Å; W259-F310 PolarHBondContact O-N 3.42Å; K261-F310 HydrophobicContact CB-CD2 4.19Å; K261-F310 HydrophobicContact CB-CE2 3.97Å; K261-F310 HydrophobicContact CD-CE2 4.2Å; L308-F310 HydrophobicContact CB-CD2 4.07Å; L308-F310 HydrophobicContact CB-CE2 3.47Å; L308-F310 VanDerWaalsContact CB-CE2 3.47Å; L308-F310 HydrophobicContact CB-CZ 4.21Å; L308-F310 HydrophobicContact CD1-CE2 4.08Å; L308-F310 HydrophobicContact CD1-CZ 4.32Å; L308-F310 HydrophobicContact CG-CE2 4.39Å; F310-S319 WeakPolarHBondContact CD1-OG 3.32Å; F310-N320 CarbonylContact C-O 3.56Å; F310-N320 VanDerWaalsContact CA-O 3.27Å; F310-N320 WeakPolarHBondContact CA-O 3.46Å; F310-N320 WeakPolarHBondContact CD1-O 3.43Å; F310-L321 HydrophobicContact CD1-CB 4.3Å; F310-L321 HydrophobicContact CD1-CD1 4.33Å; F310-L321 HydrophobicContact CD2-CD1 4.49Å; F310-L321 HydrophobicContact CE1-CB 4Å; F310-L321 HydrophobicContact CE1-CD1 3.99Å; F310-L321 HydrophobicContact CE2-CD1 4.18Å; F310-L321 HydrophobicContact CZ-CD1 3.91Å
311E86.5Confident82.3Confident3 Ų354.7 Ų54.71%0.01428%0.28CS..EExtended strand (participates in β ladder)trans-120.8145.1171.2164.2-173.6-140.100109.2S247 V250 E257 S319 N320 L322S247-E311 WeakPolarHBondContact CA-OE1 3.35Å; S247-E311 VanDerWaalsContact CB-OE1 3.22Å; S247-E311 WeakPolarHBondContact CB-OE1 3.26Å; S247-E311 PolarHBondContact N-OE1 2.98Å; S247-E311 PolarHBondContact N-OE2 2.87Å; S247-E311 VanDerWaalsContact OG-CD 3.27Å; S247-E311 PolarHBondContact OG-OE1 2.92Å; V250-E311 WeakPolarHBondContact CB-OE1 3.15Å; V250-E311 HydrophobicContact CG2-CG 3.61Å; V250-E311 WeakPolarHBondContact CG2-OE1 3.41Å; E257-E311 WeakPolarHBondContact O-CA 3.38Å; E311-S319 CarbonylContact O-C 3.59Å; E311-S319 WeakPolarHBondContact O-CA 3.37Å; E311-N320 HydrophobicContact CB-CB 4.36Å; E311-N320 PolarHBondContact N-O 2.97Å; E311-N320 PolarHBondContact O-N 3.17Å; E311-N320 PolarHBondContact OE2-ND2 2.9Å; E311-L322 HydrophobicContact CB-CD1 3.98Å; E311-L322 HydrophobicContact CB-CD2 3.67Å; E311-L322 HydrophobicContact CB-CG 3.77Å; E311-L322 HydrophobicContact CG-CD2 4.46Å; E311-L322 VanDerWaalsContact OE2-CD2 3.29Å; E311-L322 WeakPolarHBondContact OE2-CD2 3.24Å
312G80.6Confident82.2Confident9 Ų947.7 Ų47.79%0.09325%0.247CC..EExtended strand (participates in β ladder)trans143.8-155.516700000111.9S256 E257S256-G312 WeakPolarHBondContact OG-CA 3.39Å; S256-G312 PolarHBondContact OG-N 2.82Å; E257-G312 PolarHBondContact N-O 3.17Å; E257-G312 PolarHBondContact O-N 2.57Å
313H77.1Confident82Confident14 Ų1444.9 Ų44.97%0.06523%0.23CC..  trans-105.7124.5174.7-54.9-80.9000109.1E254 R255 W315 R316E254-H313 PolarHBondContact O-CE1 2.84Å; R255-H313 PolarHBondContact O-CE1 3.35Å; R255-H313 PolarHBondContact O-ND1 3.25Å; H313-W315 HydrophobicContact CB-CD2 4.46Å; H313-W315 HydrophobicContact CB-CG 4.48Å; H313-W315 PolarHBondContact O-N 2.96Å; H313-R316 HydrophobicContact CB-CB 4.16Å; H313-R316 HydrophobicContact CB-CG 4.05Å; H313-R316 PolarHBondContact CD2-NH1 3.48Å; H313-R316 PolarHBondContact NE2-NH1 2.82Å; H313-R316 PolarHBondContact O-N 2.82Å
314Q64.7Low81.9Confident75 Ų7546.2 Ų46.235%0.3524%0.235SC..THydrogen-bonded Turntrans-55.6-25.5-177.9-78.4-147.7-39.500114.9W259 K275 P278W259-Q314 HydrophobicContact CE3-CG 4.24Å; W259-Q314 HydrophobicContact CZ3-CG 4.3Å; K275-Q314 VanDerWaalsContact NZ-NE2 3.14Å; P278-Q314 HydrophobicContact CB-CG 4.27Å; P278-Q314 HydrophobicContact CG-CG 3.38Å; P278-Q314 VanDerWaalsContact CG-OE1 3.23Å
315W67.5Low81.9Confident174 Ų17445 Ų4566%0.65923%0.227SC*.THydrogen-bonded Turntrans-91.9-10.6-178.758.7-91.8000113.7H313H313-W315 HydrophobicContact CB-CD2 4.46Å; H313-W315 HydrophobicContact CB-CG 4.48Å; H313-W315 PolarHBondContact O-N 2.96Å
316R63.1Low81.7Confident133 Ų13345.5 Ų45.550%0.50223%0.231SC..SBendtrans-92.8142173.6-69.2-171.4174.2145.1-7.5109.8H313 A318H313-R316 HydrophobicContact CB-CB 4.16Å; H313-R316 HydrophobicContact CB-CG 4.05Å; H313-R316 PolarHBondContact CD2-NH1 3.48Å; H313-R316 PolarHBondContact NE2-NH1 2.82Å; H313-R316 PolarHBondContact O-N 2.82Å; R316-A318 PolarHBondContact O-N 3.02Å
317L55.9Low81.6Confident190 Ų19045.5 Ų45.5100%0.99523%0.231SC*.SBendtrans-61.7-23.6179-76.4143.4000113.1
318A57.1Low81.4Confident80 Ų8045.5 Ų45.566%0.66123%0.231SC*.  trans-95107.4179.500000110.6R316R316-A318 PolarHBondContact O-N 3.02Å
319S74.9Confident81.1Confident52 Ų5248.7 Ų48.736%0.36425%0.245SC..EExtended strand (participates in β ladder)trans-112.8133.1164.661.90000109.1F310 E311F310-S319 WeakPolarHBondContact CD1-OG 3.32Å; E311-S319 CarbonylContact O-C 3.59Å; E311-S319 WeakPolarHBondContact O-CA 3.37Å
320N81.9Confident80.7Confident88 Ų8855.3 Ų55.347%0.47128%0.281SS..EExtended strand (participates in β ladder)trans-84.2132.5175.4-174.429.4000110.1F310 E311 L322F310-N320 CarbonylContact C-O 3.56Å; F310-N320 VanDerWaalsContact CA-O 3.27Å; F310-N320 WeakPolarHBondContact CA-O 3.46Å; F310-N320 WeakPolarHBondContact CD1-O 3.43Å; E311-N320 HydrophobicContact CB-CB 4.36Å; E311-N320 PolarHBondContact N-O 2.97Å; E311-N320 PolarHBondContact O-N 3.17Å; E311-N320 PolarHBondContact OE2-ND2 2.9Å; N320-L322 PolarHBondContact O-N 2.85Å
321L86.1Confident80.3Confident56 Ų5654 Ų5429%0.29328%0.275SS..EExtended strand (participates in β ladder)trans-84.7107.9173176.667.4000108.2L308 F310 G323L308-L321 HydrophobicContact CB-CD1 3.88Å; L308-L321 HydrophobicContact CD2-CD1 3.83Å; L308-L321 HydrophobicContact CD2-CD2 4.32Å; L308-L321 HydrophobicContact CG-CD1 4.43Å; F310-L321 HydrophobicContact CD1-CB 4.3Å; F310-L321 HydrophobicContact CD1-CD1 4.33Å; F310-L321 HydrophobicContact CD2-CD1 4.49Å; F310-L321 HydrophobicContact CE1-CB 4Å; F310-L321 HydrophobicContact CE1-CD1 3.99Å; F310-L321 HydrophobicContact CE2-CD1 4.18Å; F310-L321 HydrophobicContact CZ-CD1 3.91Å; L321-G323 VanDerWaalsContact C-N 3.31Å; L321-G323 WeakPolarHBondContact CD1-O 3.43Å
322L85.8Confident79.7Confident3 Ų357.7 Ų57.72%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-67.8-35.4174.3-60.4-173.6000111.1N218 I244 A245 V246 V258 V309 E311 N320 L356N218-L322 WeakPolarHBondContact CB-O 3.43Å; N218-L322 PolarHBondContact ND2-O 3.48Å; I244-L322 HydrophobicContact CD1-CB 4.37Å; I244-L322 HydrophobicContact CD1-CD1 3.46Å; I244-L322 VanDerWaalsContact CD1-CD1 3.46Å; I244-L322 HydrophobicContact CG1-CD1 3.94Å; A245-L322 WeakPolarHBondContact O-CD2 3.27Å; V246-L322 HydrophobicContact CG1-CD1 3.85Å; V246-L322 HydrophobicContact CG1-CD2 4.38Å; V258-L322 HydrophobicContact CG1-CD1 4.37Å; V258-L322 HydrophobicContact CG2-CD1 4.5Å; V309-L322 HydrophobicContact CB-CB 4.32Å; V309-L322 HydrophobicContact CG1-CB 4.29Å; V309-L322 HydrophobicContact CG1-CD1 4.03Å; V309-L322 WeakPolarHBondContact O-CB 3.37Å; V309-L322 PolarHBondContact O-N 2.82Å; E311-L322 HydrophobicContact CB-CD1 3.98Å; E311-L322 HydrophobicContact CB-CD2 3.67Å; E311-L322 HydrophobicContact CB-CG 3.77Å; E311-L322 HydrophobicContact CG-CD2 4.46Å; E311-L322 VanDerWaalsContact OE2-CD2 3.29Å; E311-L322 WeakPolarHBondContact OE2-CD2 3.24Å; N320-L322 PolarHBondContact O-N 2.85Å; L322-L356 HydrophobicContact CB-CD2 3.98Å
323G88.2Confident79.5Confident0 Ų058.9 Ų58.90%030%0.303CS..EExtended strand (participates in β ladder)trans161.3-166.2169.200000112.6V309 L321V309-G323 PolarHBondContact N-O 3.48Å; V309-G323 PolarHBondContact O-N 3.46Å; L321-G323 VanDerWaalsContact C-N 3.31Å; L321-G323 WeakPolarHBondContact CD1-O 3.43Å
324R91.1Very high79.5Confident28 Ų2861.2 Ų61.211%0.10633%0.325CS..EExtended strand (participates in β ladder)trans-133.8146-168.6-173.2176.1-54.5-173.22.4111.6E306 L307 L308 V326 M357 L360 Q361 T362E306-R324 HydrophobicContact CG-CG 4.16Å; E306-R324 IonicContact OE1-CZ 3.88Å; E306-R324 IonicContact OE1-NE 2.72Å; E306-R324 IonicContact OE1-NH1 3.47Å; E306-R324 PolarHBondContact OE1-NH1 3.22Å; E306-R324 IonicContact OE1-NH2 2.7Å; L307-R324 CarbonylContact O-C 3.56Å; L307-R324 VanDerWaalsContact O-CA 3.25Å; L307-R324 WeakPolarHBondContact O-CA 3.24Å; L308-R324 HydrophobicContact CD2-CB 4.06Å; L308-R324 HydrophobicContact CD2-CG 3.84Å; R324-V326 HydrophobicContact CG-CG2 4.02Å; R324-M357 WeakPolarHBondContact CB-O 3.45Å; R324-M357 PolarHBondContact N-O 3.19Å; R324-M357 PolarHBondContact O-N 3.45Å; R324-L360 HydrophobicContact CB-CB 4.07Å; R324-L360 HydrophobicContact CB-CD1 4.46Å; R324-L360 WeakPolarHBondContact CD-O 3.4Å; R324-L360 HydrophobicContact CG-CB 4.15Å; R324-L360 PolarHBondContact NE-O 2.76Å; R324-L360 PolarHBondContact NH1-O 3.28Å; R324-L360 WeakPolarHBondContact O-CD1 3.28Å; R324-Q361 PolarHBondContact NH1-O 3.05Å; R324-T362 PolarHBondContact NH1-OG1 3.11Å
325V93.7Very high80.5Confident3 Ų358.9 Ų58.92%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-122.8136.2165176.10000107.3L221 L223 L307 I327 H354 L356L221-V325 HydrophobicContact CD2-CG2 4.46Å; L223-V325 HydrophobicContact CD1-CG1 4.35Å; L307-V325 HydrophobicContact CB-CB 4.22Å; L307-V325 HydrophobicContact CD1-CB 4.4Å; L307-V325 HydrophobicContact CD1-CG1 4.32Å; L307-V325 WeakPolarHBondContact CD1-O 3.38Å; L307-V325 PolarHBondContact N-O 2.89Å; L307-V325 PolarHBondContact O-N 2.87Å; V325-I327 HydrophobicContact CG1-CD1 4.24Å; V325-I327 HydrophobicContact CG1-CG1 3.96Å; V325-H354 HydrophobicContact CB-CB 4.44Å; V325-H354 HydrophobicContact CG1-CB 3.6Å; V325-H354 HydrophobicContact CG2-CB 3.93Å; V325-L356 HydrophobicContact CG2-CD1 4.17Å
326V92.2Very high81.4Confident11 Ų1150.6 Ų50.67%0.06729%0.286CS..EExtended strand (participates in β ladder)trans-121126176.71790000108.5V304 L305 R324 A331 P332 L360 P363V304-V326 HydrophobicContact CG1-CG1 3.51Å; L305-V326 WeakPolarHBondContact O-CA 3.15Å; R324-V326 HydrophobicContact CG-CG2 4.02Å; V326-A331 HydrophobicContact CG1-CB 4.43Å; V326-A331 WeakPolarHBondContact O-CB 3.4Å; V326-P332 HydrophobicContact CB-CG 4.33Å; V326-L360 HydrophobicContact CG2-CD1 4.18Å; V326-P363 HydrophobicContact CG1-CG 4.49Å
327I94.2Very high82.5Confident0 Ų047.9 Ų47.90%028%0.279CS..EExtended strand (participates in β ladder)trans-126.5133.6-179.2-59.6-179.1000108.2L223 L225 L305 L307 V325 G336 W340L223-I327 HydrophobicContact CD1-CD1 4.04Å; L225-I327 HydrophobicContact CD1-CD1 4.02Å; L225-I327 HydrophobicContact CD1-CG2 3.74Å; L305-I327 HydrophobicContact CB-CB 4.22Å; L305-I327 HydrophobicContact CD1-CB 4.32Å; L305-I327 HydrophobicContact CD1-CG2 4.29Å; L305-I327 PolarHBondContact N-O 2.7Å; L305-I327 PolarHBondContact O-N 2.92Å; L307-I327 HydrophobicContact CD1-CD1 4.15Å; L307-I327 HydrophobicContact CD1-CG1 4.17Å; V325-I327 HydrophobicContact CG1-CD1 4.24Å; V325-I327 HydrophobicContact CG1-CG1 3.96Å; I327-G336 WeakPolarHBondContact CG2-O 3.44Å; I327-W340 HydrophobicContact CG2-CB 3.9Å; I327-W340 HydrophobicContact CG2-CE3 3.96Å
328G92.4Very high84Confident0 Ų044.1 Ų44.10%026%0.259CS..EExtended strand (participates in β ladder)trans164.7168.8-176.100000110.1N330 A331G328-N330 PolarHBondContact O-N 2.86Å; G328-A331 WeakPolarHBondContact O-CB 3.45Å; G328-A331 PolarHBondContact O-N 3.48Å; G328-A331 VanDerWaalsContact O-N 3.09Å
329Q87.5Confident85.8Confident74 Ų7440.3 Ų40.335%0.34623%0.227SC..THydrogen-bonded Turntrans-55.7-37.9-178-170.7172.31800112.6E301 W340E301-Q329 PolarHBondContact O-OE1 3.03Å; Q329-W340 VanDerWaalsContact N-CD1 3.3Å
330N83.3Confident86.7Confident140 Ų14038 Ų3875%0.74921%0.211SC*.THydrogen-bonded Turntrans-110.333.3179.5-59.2-43.2000112.3G328G328-N330 PolarHBondContact O-N 2.86Å
331A82.2Confident87.1Confident2 Ų236 Ų362%0.01720%0.2CC..  trans-60.5143.7177.800000111.3V326 G328 I333 Q337V326-A331 HydrophobicContact CG1-CB 4.43Å; V326-A331 WeakPolarHBondContact O-CB 3.4Å; G328-A331 WeakPolarHBondContact O-CB 3.45Å; G328-A331 PolarHBondContact O-N 3.48Å; G328-A331 VanDerWaalsContact O-N 3.09Å; A331-I333 PolarHBondContact O-N 2.77Å; A331-Q337 HydrophobicContact CB-CG 3.94Å; A331-Q337 WeakPolarHBondContact O-CG 3.41Å; A331-Q337 PolarHBondContact O-NE2 3.37Å
332P73.7Confident87.3Confident79 Ų7934 Ų3451%0.51319%0.191SC..SBendtrans-68.5-15.3-176.824.6-32.8000114.4V326 L360V326-P332 HydrophobicContact CB-CG 4.33Å; P332-L360 HydrophobicContact CB-CD2 4.01Å; P332-L360 HydrophobicContact CG-CD2 3.31Å
333I75.8Confident87.7Confident34 Ų3433.9 Ų33.917%0.17419%0.19CC..SBendtrans-119.7135.1-179.4-58.4179.1000108.6A331 S335 G336 Q337 P355 M357 L360A331-I333 PolarHBondContact O-N 2.77Å; I333-S335 VanDerWaalsContact C-N 3.3Å; I333-S335 PolarHBondContact O-N 2.87Å; I333-G336 PolarHBondContact O-N 2.92Å; I333-Q337 PolarHBondContact O-N 2.91Å; I333-P355 HydrophobicContact CD1-CG 3.82Å; I333-P355 HydrophobicContact CG2-CG 4Å; I333-M357 HydrophobicContact CD1-CE 3.92Å; I333-M357 HydrophobicContact CD1-CG 3.69Å; I333-L360 HydrophobicContact CD1-CD1 4.11Å; I333-L360 HydrophobicContact CD1-CD2 4.49Å
334A77.7Confident87.8Confident63 Ų6334.9 Ų34.952%0.52120%0.195SC..Hα-helixtrans-56.3-39.3-174.500000113.4G336 Q337 L338A334-G336 PolarHBondContact O-N 2.78Å; A334-Q337 PolarHBondContact O-N 2.77Å; A334-Q337 VanDerWaalsContact O-N 3.12Å; A334-L338 WeakPolarHBondContact O-CG 3.36Å; A334-L338 PolarHBondContact O-N 2.81Å
335S86.3Confident87.5Confident27 Ų2739 Ų3919%0.18922%0.219CC..Hα-helixtrans-56.7-39.9176.566.10000111.9I333 H339 H354I333-S335 VanDerWaalsContact C-N 3.3Å; I333-S335 PolarHBondContact O-N 2.87Å; S335-H339 VanDerWaalsContact O-CB 3.25Å; S335-H339 WeakPolarHBondContact O-CB 3.24Å; S335-H339 PolarHBondContact O-N 3.24Å; S335-H354 PolarHBondContact O-CE1 2.83Å; S335-H354 VanDerWaalsContact O-CE1 3.32Å; S335-H354 PolarHBondContact OG-ND1 3.14Å
336G87.2Confident86.9Confident0 Ų044.6 Ų44.60%024%0.244CC..Hα-helixtrans-67.6-34.9178.300000113.3I327 I333 A334 W340I327-G336 WeakPolarHBondContact CG2-O 3.44Å; I333-G336 PolarHBondContact O-N 2.92Å; A334-G336 PolarHBondContact O-N 2.78Å; G336-W340 WeakPolarHBondContact O-CB 3.49Å; G336-W340 PolarHBondContact O-N 3.09Å
337Q85.2Confident86.6Confident76 Ų7646.1 Ų46.136%0.35526%0.263SS..Hα-helixtrans-71.8-48.7175.4-60178.512.900111.1A331 I333 A334 H339 W340 N341A331-Q337 HydrophobicContact CB-CG 3.94Å; A331-Q337 WeakPolarHBondContact O-CG 3.41Å; A331-Q337 PolarHBondContact O-NE2 3.37Å; I333-Q337 PolarHBondContact O-N 2.91Å; A334-Q337 PolarHBondContact O-N 2.77Å; A334-Q337 VanDerWaalsContact O-N 3.12Å; Q337-H339 VanDerWaalsContact C-N 3.32Å; Q337-H339 PolarHBondContact O-N 3.45Å; Q337-W340 PolarHBondContact O-N 3.33Å; Q337-N341 WeakPolarHBondContact O-CB 3.3Å; Q337-N341 VanDerWaalsContact O-CG 3.28Å; Q337-N341 PolarHBondContact O-N 3.4Å; Q337-N341 PolarHBondContact O-ND2 3.31Å
338L88.5Confident86.3Confident110 Ų11051.6 Ų51.658%0.57629%0.288SS*.Hα-helixtrans-60-43.4179.9-69.9173.7000111.5A334 N341 S342A334-L338 WeakPolarHBondContact O-CG 3.36Å; A334-L338 PolarHBondContact O-N 2.81Å; L338-N341 PolarHBondContact O-N 2.86Å; L338-S342 WeakPolarHBondContact O-CB 3.42Å; L338-S342 PolarHBondContact O-N 2.85Å
339H93.7Very high86.3Confident0 Ų056.5 Ų56.50%031%0.311CS..Hα-helixtrans-65.9-40.7179.4-159-176.9000111.9L223 L225 S335 Q337 A343 T350 M352 H354L223-H339 PolarHBondContact O-CE1 2.85Å; L223-H339 VanDerWaalsContact O-CE1 3.24Å; L225-H339 HydrophobicContact CD1-CB 4.26Å; L225-H339 VanDerWaalsContact CG-CE1 3.47Å; L225-H339 WeakPolarHBondContact CG-CE1 3.49Å; L225-H339 PolarHBondContact N-NE2 2.79Å; S335-H339 VanDerWaalsContact O-CB 3.25Å; S335-H339 WeakPolarHBondContact O-CB 3.24Å; S335-H339 PolarHBondContact O-N 3.24Å; Q337-H339 VanDerWaalsContact C-N 3.32Å; Q337-H339 PolarHBondContact O-N 3.45Å; H339-A343 WeakPolarHBondContact O-CB 3.43Å; H339-A343 PolarHBondContact O-N 2.77Å; H339-A343 VanDerWaalsContact O-N 3.12Å; H339-T350 PolarHBondContact CD2-OG1 2.82Å; H339-T350 VanDerWaalsContact CD2-OG1 3.24Å; H339-T350 PolarHBondContact NE2-O 2.87Å; H339-M352 HydrophobicContact CB-CE 4.48Å; H339-M352 HydrophobicContact CB-SD 3.57Å; H339-M352 VanDerWaalsContact CB-SD 3.57Å; H339-H354 AromaticContact CE1-NE2 3.83Å; H339-H354 AromaticContact CG-NE2 3.7Å; H339-H354 AromaticContact ND1-CD2 3.97Å; H339-H354 AromaticContact ND1-CE1 3.58Å; H339-H354 AromaticContact ND1-NE2 2.93Å; H339-H354 PolarHBondContact ND1-NE2 3.24Å
340W93.3Very high86.5Confident5 Ų554.4 Ų54.42%0.01930%0.303CS..Hα-helixtrans-61.7-49.8174.6-175-101.4000111.5L234 L295 L300 T303 L305 I327 Q329 G336 Q337 S342 A343 I344L234-W340 HydrophobicContact CD2-CZ3 4.21Å; L295-W340 HydrophobicContact CD1-CH2 4.32Å; L300-W340 WeakPolarHBondContact O-CZ2 3.33Å; T303-W340 HydrophobicContact CG2-CH2 3.43Å; T303-W340 VanDerWaalsContact CG2-CH2 3.43Å; T303-W340 HydrophobicContact CG2-CZ2 4.06Å; T303-W340 HydrophobicContact CG2-CZ3 4.28Å; L305-W340 HydrophobicContact CD1-CE3 4.32Å; L305-W340 HydrophobicContact CD1-CZ3 3.95Å; L305-W340 HydrophobicContact CD2-CZ3 4.37Å; L305-W340 HydrophobicContact CG-CE3 4.44Å; L305-W340 HydrophobicContact CG-CZ3 3.86Å; I327-W340 HydrophobicContact CG2-CB 3.9Å; I327-W340 HydrophobicContact CG2-CE3 3.96Å; Q329-W340 VanDerWaalsContact N-CD1 3.3Å; G336-W340 WeakPolarHBondContact O-CB 3.49Å; G336-W340 PolarHBondContact O-N 3.09Å; Q337-W340 PolarHBondContact O-N 3.33Å; W340-S342 PolarHBondContact O-N 3.02Å; W340-A343 PolarHBondContact O-N 2.81Å; W340-I344 HydrophobicContact CD2-CG1 3.61Å; W340-I344 VanDerWaalsContact CE2-CG1 3.49Å; W340-I344 HydrophobicContact CE3-CD1 4.43Å; W340-I344 HydrophobicContact CE3-CG1 3.88Å; W340-I344 HydrophobicContact CG-CG1 4.16Å; W340-I344 HydrophobicContact CH2-CD1 4.05Å; W340-I344 HydrophobicContact CH2-CG1 3.91Å; W340-I344 HydrophobicContact CZ2-CD1 4.24Å; W340-I344 HydrophobicContact CZ2-CG1 3.66Å; W340-I344 HydrophobicContact CZ3-CD1 4.16Å; W340-I344 HydrophobicContact CZ3-CG1 4.02Å; W340-I344 WeakPolarHBondContact O-CB 3.44Å; W340-I344 WeakPolarHBondContact O-CG1 3.27Å; W340-I344 PolarHBondContact O-N 2.85Å
341N90.5Very high87.1Confident44 Ų4451.3 Ų51.324%0.23529%0.289CS..Hα-helixtrans-62.8-43.3-178.6-70-14.8000111.5Q337 L338 A343 L345 H346Q337-N341 WeakPolarHBondContact O-CB 3.3Å; Q337-N341 VanDerWaalsContact O-CG 3.28Å; Q337-N341 PolarHBondContact O-N 3.4Å; Q337-N341 PolarHBondContact O-ND2 3.31Å; L338-N341 PolarHBondContact O-N 2.86Å; N341-A343 PolarHBondContact O-N 2.89Å; N341-L345 HydrophobicContact CB-CD1 3.93Å; N341-L345 WeakPolarHBondContact O-CA 3.38Å; N341-L345 VanDerWaalsContact O-CB 3.23Å; N341-L345 WeakPolarHBondContact O-CB 3.42Å; N341-L345 PolarHBondContact O-N 3.44Å; N341-H346 PolarHBondContact O-N 2.85Å
342S91.6Very high87.6Confident16 Ų1653.7 Ų53.711%0.11230%0.301CS..Hα-helixtrans-58.3-47.3176-173.90000112.6L338 W340 H346 G347 H348 T350L338-S342 WeakPolarHBondContact O-CB 3.42Å; L338-S342 PolarHBondContact O-N 2.85Å; W340-S342 PolarHBondContact O-N 3.02Å; S342-H346 WeakPolarHBondContact O-CB 3.39Å; S342-G347 PolarHBondContact O-N 3.42Å; S342-H348 PolarHBondContact O-N 2.87Å; S342-H348 VanDerWaalsContact O-N 3.15Å; S342-T350 WeakPolarHBondContact OG-CG2 3.44Å; S342-T350 PolarHBondContact OG-OG1 2.93Å
343A93Very high88.5Confident0 Ų053.6 Ų53.60%029%0.29CS..Hα-helixtrans-75.1-44-177.400000113.4L225 Y227 H339 W340 N341 G347 H348L225-A343 HydrophobicContact CB-CB 3.61Å; Y227-A343 WeakPolarHBondContact CB-O 3.49Å; H339-A343 WeakPolarHBondContact O-CB 3.43Å; H339-A343 PolarHBondContact O-N 2.77Å; H339-A343 VanDerWaalsContact O-N 3.12Å; W340-A343 PolarHBondContact O-N 2.81Å; N341-A343 PolarHBondContact O-N 2.89Å; A343-G347 WeakPolarHBondContact O-CA 3.48Å; A343-G347 PolarHBondContact O-N 2.86Å; A343-H348 WeakPolarHBondContact CA-O 3.46Å
344I91.7Very high89.3Confident21 Ų2152 Ų5211%0.10828%0.282CS..Hα-helixtrans-87.9-46-172-56.9-51.7000112.2Y227 L234 L300 W340Y227-I344 HydrophobicContact CD1-CD1 4.08Å; Y227-I344 HydrophobicContact CD2-CD1 4.1Å; Y227-I344 HydrophobicContact CG-CD1 3.67Å; L234-I344 HydrophobicContact CD1-CD1 4.08Å; L300-I344 HydrophobicContact CD1-CG2 4.22Å; L300-I344 HydrophobicContact CD2-CG2 4.33Å; W340-I344 HydrophobicContact CD2-CG1 3.61Å; W340-I344 VanDerWaalsContact CE2-CG1 3.49Å; W340-I344 HydrophobicContact CE3-CD1 4.43Å; W340-I344 HydrophobicContact CE3-CG1 3.88Å; W340-I344 HydrophobicContact CG-CG1 4.16Å; W340-I344 HydrophobicContact CH2-CD1 4.05Å; W340-I344 HydrophobicContact CH2-CG1 3.91Å; W340-I344 HydrophobicContact CZ2-CD1 4.24Å; W340-I344 HydrophobicContact CZ2-CG1 3.66Å; W340-I344 HydrophobicContact CZ3-CD1 4.16Å; W340-I344 HydrophobicContact CZ3-CG1 4.02Å; W340-I344 WeakPolarHBondContact O-CB 3.44Å; W340-I344 WeakPolarHBondContact O-CG1 3.27Å; W340-I344 PolarHBondContact O-N 2.85Å
345L83Confident89.7Confident113 Ų11350 Ų5059%0.59226%0.264SS*.THydrogen-bonded Turntrans-81.8-43.8-175.5-58175.6000111.5N341N341-L345 HydrophobicContact CB-CD1 3.93Å; N341-L345 WeakPolarHBondContact O-CA 3.38Å; N341-L345 VanDerWaalsContact O-CB 3.23Å; N341-L345 WeakPolarHBondContact O-CB 3.42Å; N341-L345 PolarHBondContact O-N 3.44Å
346H83Confident89.8Confident121 Ų12148.9 Ų48.956%0.5626%0.256SS*.SBendtrans-94.1-10.6-176.8-48.3133.8000113.4N341 S342 H348N341-H346 PolarHBondContact O-N 2.85Å; S342-H346 WeakPolarHBondContact O-CB 3.39Å; H346-H348 WeakPolarHBondContact CB-CD2 3.1Å; H346-H348 PolarHBondContact O-N 3.18Å
347G84.6Confident89.6Confident44 Ų4450 Ų5045%0.45426%0.261SS..  trans65.814.1-177.400000113.8S342 A343S342-G347 PolarHBondContact O-N 3.42Å; A343-G347 WeakPolarHBondContact O-CA 3.48Å; A343-G347 PolarHBondContact O-N 2.86Å
348H87.3Confident89.1Confident114 Ų11449.6 Ų49.653%0.52827%0.266SS..  trans-82.4134.1-179-68.1-47.4000110.6S342 A343 H346 T350S342-H348 PolarHBondContact O-N 2.87Å; S342-H348 VanDerWaalsContact O-N 3.15Å; A343-H348 WeakPolarHBondContact CA-O 3.46Å; H346-H348 WeakPolarHBondContact CB-CD2 3.1Å; H346-H348 PolarHBondContact O-N 3.18Å; H348-T350 HydrophobicContact CB-CG2 4.23Å; H348-T350 PolarHBondContact O-N 2.94Å
349E93.5Very high88.1Confident103 Ų10350.7 Ų50.748%0.48126%0.263SS..  trans-75.3114.3164.3-177.9166.4-17300108.5S224 L225 K226S224-E349 WeakPolarHBondContact OG-CG 3.49Å; S224-E349 PolarHBondContact OG-OE1 2.66Å; L225-E349 WeakPolarHBondContact O-CA 3.26Å; K226-E349 HydrophobicContact CB-CB 4.14Å; K226-E349 HydrophobicContact CB-CG 4.04Å; K226-E349 HydrophobicContact CD-CB 4.48Å; K226-E349 WeakPolarHBondContact CD-OE2 3.44Å; K226-E349 WeakPolarHBondContact CE-OE2 3.05Å; K226-E349 HydrophobicContact CG-CB 4.14Å; K226-E349 HydrophobicContact CG-CG 4.44Å; K226-E349 IonicContact NZ-OE2 2.84Å; K226-E349 PolarHBondContact NZ-OE2 2.78Å
350T91.3Very high86.8Confident31 Ų3151 Ų5119%0.1926%0.264CS..EExtended strand (participates in β ladder)trans-123.6146.3178.447.90000111.1S224 L225 H339 S342 H348 M352S224-T350 VanDerWaalsContact CA-O 3.23Å; S224-T350 WeakPolarHBondContact CA-O 2.82Å; S224-T350 PolarHBondContact OG-O 2.69Å; L225-T350 PolarHBondContact N-O 2.62Å; L225-T350 VanDerWaalsContact N-O 3.08Å; L225-T350 PolarHBondContact O-N 3.01Å; H339-T350 PolarHBondContact CD2-OG1 2.82Å; H339-T350 VanDerWaalsContact CD2-OG1 3.24Å; H339-T350 PolarHBondContact NE2-O 2.87Å; S342-T350 WeakPolarHBondContact OG-CG2 3.44Å; S342-T350 PolarHBondContact OG-OG1 2.93Å; H348-T350 HydrophobicContact CB-CG2 4.23Å; H348-T350 PolarHBondContact O-N 2.94Å; T350-M352 HydrophobicContact CG2-CE 4.41Å
351T96.2Very high85.3Confident74 Ų7456 Ų5645%0.45429%0.288SS..EExtended strand (participates in β ladder)trans-110.9129.6173-61.10000109E222 L223 S224 L239E222-T351 HydrophobicContact CG-CG2 3.81Å; L223-T351 CarbonylContact O-C 3.59Å; L223-T351 VanDerWaalsContact O-CA 3.28Å; L223-T351 WeakPolarHBondContact O-CA 3.43Å; S224-T351 WeakPolarHBondContact CB-OG1 3.33Å; L239-T351 HydrophobicContact CD1-CG2 3.49Å; L239-T351 VanDerWaalsContact CD1-CG2 3.49Å
352M93.1Very high84.1Confident52 Ų5256.7 Ų56.726%0.25629%0.294SS..EExtended strand (participates in β ladder)trans-143.4150.3-177.2-61.1-173.6-17400111.2L223 H339 T350 H354L223-M352 PolarHBondContact N-O 3.45Å; L223-M352 PolarHBondContact O-N 2.8Å; H339-M352 HydrophobicContact CB-CE 4.48Å; H339-M352 HydrophobicContact CB-SD 3.57Å; H339-M352 VanDerWaalsContact CB-SD 3.57Å; T350-M352 HydrophobicContact CG2-CE 4.41Å; M352-H354 PolarHBondContact O-CD2 3.37Å
353W93.1Very high82.5Confident78 Ų7858 Ų5830%0.29530%0.302SS..EExtended strand (participates in β ladder)trans-82.1141.7168.1-71.295.4000110.7E220 E222 R240 K242E220-W353 HydrophobicContact CB-CE3 3.56Å; E220-W353 HydrophobicContact CB-CZ3 4.09Å; E222-W353 HydrophobicContact CB-CD2 3.82Å; E222-W353 HydrophobicContact CB-CE3 3.69Å; E222-W353 HydrophobicContact CB-CH2 3.77Å; E222-W353 HydrophobicContact CB-CZ2 3.86Å; E222-W353 HydrophobicContact CB-CZ3 3.67Å; E222-W353 HydrophobicContact CG-CD2 4Å; E222-W353 HydrophobicContact CG-CE3 4.39Å; E222-W353 HydrophobicContact CG-CG 4.46Å; E222-W353 HydrophobicContact CG-CH2 4.42Å; E222-W353 HydrophobicContact CG-CZ2 3.99Å; E222-W353 PolarHBondContact OE1-NE1 3.31Å; R240-W353 HydrophobicContact CG-CH2 3.92Å; R240-W353 HydrophobicContact CG-CZ2 4.45Å; K242-W353 HydrophobicContact CB-CE3 4.43Å; K242-W353 HydrophobicContact CB-CH2 3.77Å; K242-W353 HydrophobicContact CB-CZ3 3.61Å
354H91.3Very high80.7Confident1 Ų161 Ų611%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-130.5131.3176.7-68-93.8000110.3E220 L221 V325 S335 H339 M352 L356E220-H354 CarbonylContact C-O 3.51Å; E220-H354 VanDerWaalsContact CA-O 3.24Å; E220-H354 WeakPolarHBondContact CA-O 3.16Å; L221-H354 PolarHBondContact N-O 2.84Å; L221-H354 PolarHBondContact O-N 3.45Å; V325-H354 HydrophobicContact CB-CB 4.44Å; V325-H354 HydrophobicContact CG1-CB 3.6Å; V325-H354 HydrophobicContact CG2-CB 3.93Å; S335-H354 PolarHBondContact O-CE1 2.83Å; S335-H354 VanDerWaalsContact O-CE1 3.32Å; S335-H354 PolarHBondContact OG-ND1 3.14Å; H339-H354 AromaticContact CE1-NE2 3.83Å; H339-H354 AromaticContact CG-NE2 3.7Å; H339-H354 AromaticContact ND1-CD2 3.97Å; H339-H354 AromaticContact ND1-CE1 3.58Å; H339-H354 AromaticContact ND1-NE2 2.93Å; H339-H354 PolarHBondContact ND1-NE2 3.24Å; M352-H354 PolarHBondContact O-CD2 3.37Å; H354-L356 PolarHBondContact O-N 3.17Å
355P86.3Confident78.1Confident21 Ų2169.4 Ų69.414%0.13635%0.347CS..EExtended strand (participates in β ladder)trans-67.8132.4175.129.9-35.7000110.3Y217 I333 M357Y217-P355 HydrophobicContact CD2-CB 3.47Å; Y217-P355 VanDerWaalsContact CD2-CB 3.47Å; Y217-P355 HydrophobicContact CE2-CB 3.57Å; I333-P355 HydrophobicContact CD1-CG 3.82Å; I333-P355 HydrophobicContact CG2-CG 4Å; P355-M357 HydrophobicContact CB-CE 3.65Å; P355-M357 HydrophobicContact CB-SD 4.31Å; P355-M357 HydrophobicContact CG-CE 3.87Å
356L89.4Confident75.9Confident2 Ų275.3 Ų75.31%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-85.8111176.7-173.468.6000108.7Y217 N218 G219 I244 V309 L322 V325 H354Y217-L356 CarbonylContact C-O 3.53Å; Y217-L356 WeakPolarHBondContact CA-O 3.26Å; N218-L356 HydrophobicContact CB-CD2 4.18Å; N218-L356 HydrophobicContact CB-CG 4.42Å; N218-L356 PolarHBondContact N-O 3.16Å; G219-L356 WeakPolarHBondContact O-CB 3.4Å; G219-L356 PolarHBondContact O-N 2.73Å; I244-L356 HydrophobicContact CD1-CD2 3.78Å; I244-L356 HydrophobicContact CG1-CD2 4.04Å; V309-L356 HydrophobicContact CB-CD1 3.96Å; V309-L356 HydrophobicContact CB-CD2 4.14Å; V309-L356 HydrophobicContact CG2-CD1 3.47Å; V309-L356 VanDerWaalsContact CG2-CD1 3.47Å; V309-L356 HydrophobicContact CG2-CD2 4.27Å; L322-L356 HydrophobicContact CB-CD2 3.98Å; V325-L356 HydrophobicContact CG2-CD1 4.17Å; H354-L356 PolarHBondContact O-N 3.17Å
357M81Confident73.3Confident25 Ų2579.7 Ų79.712%0.12337%0.374CS..EExtended strand (participates in β ladder)trans-112.3139.2-172.9-61.3-60.8-165.400112.8G216 Y217 R324 I333 P355 W359 L360G216-M357 CarbonylContact O-C 3.5Å; G216-M357 WeakPolarHBondContact O-CA 3.11Å; Y217-M357 HydrophobicContact CD2-CE 4.16Å; Y217-M357 HydrophobicContact CD2-SD 4.24Å; Y217-M357 HydrophobicContact CG-SD 4.38Å; R324-M357 WeakPolarHBondContact CB-O 3.45Å; R324-M357 PolarHBondContact N-O 3.19Å; R324-M357 PolarHBondContact O-N 3.45Å; I333-M357 HydrophobicContact CD1-CE 3.92Å; I333-M357 HydrophobicContact CD1-CG 3.69Å; P355-M357 HydrophobicContact CB-CE 3.65Å; P355-M357 HydrophobicContact CB-SD 4.31Å; P355-M357 HydrophobicContact CG-CE 3.87Å; M357-W359 HydrophobicContact CG-CZ2 4.38Å; M357-L360 HydrophobicContact CB-CB 4.27Å; M357-L360 HydrophobicContact CB-CD1 3.67Å; M357-L360 HydrophobicContact CB-CG 3.57Å; M357-L360 HydrophobicContact CG-CD1 4.02Å; M357-L360 HydrophobicContact CG-CG 4.15Å
358S75.2Confident70.7Confident66 Ų6683.1 Ų83.146%0.46239%0.391SS..SBendtrans-87.4-27.1178.875.90000113.4G216G216-S358 WeakPolarHBondContact CA-OG 3.39Å; G216-S358 PolarHBondContact O-N 2.83Å
359W67.7Low67.8Low134 Ų13490 Ų9051%0.50842%0.423SS..SBendtrans-84.8-14.3-179.660.9-90.8000113.9H215 M357 Q361H215-W359 PolarHBondContact O-NE1 3.4Å; M357-W359 HydrophobicContact CG-CZ2 4.38Å; W359-Q361 PolarHBondContact O-N 3.17Å
360L65.9Low66.6Low5 Ų589.4 Ų89.43%0.02642%0.42CS..PPolyproline II helixtrans-57117.4-178.6-81.3178.6000109.3R324 V326 P332 I333 M357R324-L360 HydrophobicContact CB-CB 4.07Å; R324-L360 HydrophobicContact CB-CD1 4.46Å; R324-L360 WeakPolarHBondContact CD-O 3.4Å; R324-L360 HydrophobicContact CG-CB 4.15Å; R324-L360 PolarHBondContact NE-O 2.76Å; R324-L360 PolarHBondContact NH1-O 3.28Å; R324-L360 WeakPolarHBondContact O-CD1 3.28Å; V326-L360 HydrophobicContact CG2-CD1 4.18Å; P332-L360 HydrophobicContact CB-CD2 4.01Å; P332-L360 HydrophobicContact CG-CD2 3.31Å; I333-L360 HydrophobicContact CD1-CD1 4.11Å; I333-L360 HydrophobicContact CD1-CD2 4.49Å; M357-L360 HydrophobicContact CB-CB 4.27Å; M357-L360 HydrophobicContact CB-CD1 3.67Å; M357-L360 HydrophobicContact CB-CG 3.57Å; M357-L360 HydrophobicContact CG-CD1 4.02Å; M357-L360 HydrophobicContact CG-CG 4.15Å
361Q62.1Low65.3Low112 Ų11292.4 Ų92.452%0.52343%0.433SS..PPolyproline II helixtrans-76.9164.1-177.3-65.2-166.56.900111.4R324 W359R324-Q361 PolarHBondContact NH1-O 3.05Å; W359-Q361 PolarHBondContact O-N 3.17Å
362T64.9Low63.5Low57 Ų5793.4 Ų93.435%0.3543%0.431SS..PPolyproline II helixtrans-68.2135177.3-52.60000106W265 R324 H364 R365W265-T362 HydrophobicContact CH2-CG2 3.44Å; W265-T362 VanDerWaalsContact CH2-CG2 3.44Å; W265-T362 HydrophobicContact CZ2-CG2 3.28Å; R324-T362 PolarHBondContact NH1-OG1 3.11Å; T362-H364 PolarHBondContact O-N 2.84Å; T362-R365 PolarHBondContact O-N 3.5Å
363P59.2Low61.8Low44 Ų4495.9 Ų95.929%0.28644%0.442SS..THydrogen-bonded Turntrans-56.55.4-170.1-27.734.7000117.8V304 E306 V326V304-P363 HydrophobicContact CG1-CB 4.17Å; V304-P363 HydrophobicContact CG1-CG 3.89Å; E306-P363 HydrophobicContact CB-CG 4.44Å; V326-P363 HydrophobicContact CG1-CG 4.49Å
364H55.1Low59.9Low62 Ų6297 Ų9729%0.28745%0.451SS..THydrogen-bonded Turntrans-124.19.3-176.9-58.8-50.9000116.7W265 S268 T362 R366W265-H364 AromaticContact CD2-CD2 3.5Å; W265-H364 AromaticContact CD2-NE2 3.18Å; W265-H364 AromaticContact CE3-CD2 2.89Å; W265-H364 AromaticContact CE3-NE2 2.89Å; W265-H364 AromaticContact CG-NE2 3.57Å; W265-H364 AromaticContact CH2-CD2 3.57Å; W265-H364 AromaticContact CZ3-CD2 2.92Å; W265-H364 WeakPolarHBondContact CZ3-CD2 3.29Å; W265-H364 AromaticContact CZ3-CG 3.97Å; W265-H364 AromaticContact CZ3-NE2 3.52Å; S268-H364 WeakPolarHBondContact CA-CE1 3.31Å; S268-H364 WeakPolarHBondContact CA-ND1 3.33Å; S268-H364 WeakPolarHBondContact CB-ND1 3.3Å; S268-H364 PolarHBondContact OG-ND1 3.5Å; T362-H364 PolarHBondContact O-N 2.84Å; H364-R366 PolarHBondContact O-N 2.88Å
365R37.6Very low57.8Low199 Ų199103.4 Ų103.475%0.75148%0.481SS*.  trans-85.786.7160.6-95.5-167.2-175.9-159.71.4109T362 Y367T362-R365 PolarHBondContact O-N 3.5Å; R365-Y367 PolarHBondContact O-N 2.74Å
366R35.4Very low55.7Low236 Ų236109.3 Ų109.389%0.89151%0.505SS*.  trans-62132.7157.8-80.1-167.3-175.1-167.92.4107.8H364 S368H364-R366 PolarHBondContact O-N 2.88Å; R366-S368 PolarHBondContact O-N 3.48Å; R366-S368 VanDerWaalsContact O-N 3.11Å
367Y29.7Very low53.1Low213 Ų213117.5 Ų117.584%0.83554%0.543SS*.  trans-43.4112.3164.5-73.5-100.2000109.8R365 Q369R365-Y367 PolarHBondContact O-N 2.74Å; Y367-Q369 PolarHBondContact O-N 3.15Å
368S28.6Very low50.8Low116 Ų116125.3 Ų125.381%0.81158%0.578SS**  trans-77.9108.715157.70000105.5R366R366-S368 PolarHBondContact O-N 3.48Å; R366-S368 VanDerWaalsContact O-N 3.11Å
369Q28.2Very low48.6Very low259 Ų259130.6 Ų130.6100%1.2159%0.589SS**  trans27.10168.1-69-173.7-9.800118.8Y367Y367-Q369 PolarHBondContact O-N 3.15Å

Retrieved 369 of 369 residues in 102.1 ms (Link to these results)