A0A087WTM9_HUMAN Loading...

Tumor necrosis factor receptor superfamily member 6

AlphaFold DB , UniProt , Accession A0A087WTM9, Species HUMAN (Homo sapiens, Human), Gene FAS, Length 244 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low44.5Very low241 Ų241148.5 Ų148.5100%1.18780%0.795SS**  072.50-69.6-68.717700108.8
2L45.7Very low44.5Very low179 Ų179148 Ų14894%0.93779%0.791SS**  trans-127.2125172.7-9589.8000106.4
3G44.5Very low44.3Very low70 Ų70144.4 Ų144.472%0.72278%0.777SS**  trans147.742.8171.400000116.5
4I48.8Very low44Very low157 Ų157139.9 Ų139.981%0.80576%0.763SS**SBendtrans-137.62.5164.2-54177.1000112.5T6I4-T6 PolarHBondContact O-N 2.83Å
5W41.9Very low43.9Very low258 Ų258138.5 Ų138.598%0.97776%0.76SS**THydrogen-bonded Turntrans-97.524.3-174.4-135.442.8000116
6T47.6Very low43.8Very low109 Ų109135.8 Ų135.867%0.66976%0.761SS**THydrogen-bonded Turntrans-125.52.4-179.351.80000115.4I4 P9I4-T6 PolarHBondContact O-N 2.83Å; T6-P9 WeakPolarHBondContact O-CD 3.3Å
7L43.9Very low43.9Very low133 Ų133140.5 Ų140.570%0.69677%0.765SS**SBendtrans-96.15.6-179.3-67.3178.1000115
8L45.4Very low43.8Very low164 Ų164142.3 Ų142.386%0.85977%0.772SS**SBendtrans-95.4-4.7179.6-146.371.1000117.3
9P43.5Very low43.8Very low87 Ų87140.6 Ų140.657%0.56577%0.772SS**SBendtrans-104.11.8169.125-10.2000115.1T6T6-P9 WeakPolarHBondContact O-CD 3.3Å
10L40.9Very low43.8Very low126 Ų126139.2 Ų139.266%0.6677%0.773SS**SBendtrans-87.7-4.1-177.9-104.6142.7000115
11V44.2Very low43.3Very low110 Ų110142.5 Ų142.567%0.66778%0.779SS**SBendtrans-97.7-7.5176.1-173.40000112.3
12L44.8Very low43Very low142 Ų142135.3 Ų135.374%0.74375%0.752SS**SBendtrans-95.92-179.9-88155.6000114.7
13T42Very low42.4Very low101 Ų101133.1 Ų133.162%0.6275%0.746SS**SBendtrans-106.22.7176.652.70000114.6
14S39.2Very low42Very low82 Ų82135.9 Ų135.957%0.57374%0.744SS**SBendtrans-102.7-10.2174.752.40000114.6
15V43.3Very low41.6Very low119 Ų119132.6 Ų132.672%0.72174%0.741SS**THydrogen-bonded Turntrans-87-4.1178.4-170.10000113
16A42.5Very low41.3Very low94 Ų94128.3 Ų128.378%0.77773%0.732SS**THydrogen-bonded Turntrans-10023.4174.400000113.9
17R44.8Very low40.8Very low217 Ų217129.4 Ų129.482%0.81974%0.738SS**SBendtrans-127.49.5177.4-126.5-171.5-74.2162.8-4.3115.9
18L42.1Very low40.5Very low173 Ų173128.4 Ų128.491%0.90674%0.738SS**SBendtrans-140.748175-142.578.4000112.6
19S44.5Very low40.2Very low109 Ų109127.4 Ų127.476%0.76273%0.733SS**SBendtrans-150.1134.3158.1-1630000108.3
20S42.5Very low40.4Very low113 Ų113130.4 Ų130.479%0.7974%0.743SS**  trans87.857.9-172.6-40.20000116.1
21K33Very low40.6Very low209 Ų209130 Ų13091%0.90974%0.742SS**  trans-106.967.5139.3-132.2176.2-172.9-177.20108.1V23K21-V23 PolarHBondContact O-N 2.93Å
22S37.9Very low41.1Very low89 Ų89129.8 Ų129.862%0.62274%0.744SS**  trans-59.1114157.4167.80000106.6N24S22-N24 VanDerWaalsContact C-N 3.34Å; S22-N24 PolarHBondContact O-N 3.48Å; S22-N24 VanDerWaalsContact O-N 3.09Å; S22-N24 PolarHBondContact OG-OD1 3.46Å
23V33.6Very low41.1Very low133 Ų133131.5 Ų131.581%0.80675%0.746SS**  trans-71.8101163.2177.10000105.4K21 A25K21-V23 PolarHBondContact O-N 2.93Å; V23-A25 PolarHBondContact O-N 3.3Å
24N35.2Very low41.1Very low128 Ų128129.1 Ų129.168%0.68474%0.742SS**  trans-58.8110.6165.3-76.62.9000107.6S22 Q26S22-N24 VanDerWaalsContact C-N 3.34Å; S22-N24 PolarHBondContact O-N 3.48Å; S22-N24 VanDerWaalsContact O-N 3.09Å; S22-N24 PolarHBondContact OG-OD1 3.46Å; N24-Q26 PolarHBondContact O-N 3.19Å; N24-Q26 VanDerWaalsContact O-N 3.14Å
25A40.8Very low41.4Very low89 Ų89130.4 Ų130.474%0.73674%0.742SS**  trans-64.5107.9155.200000106.5V23 V27V23-A25 PolarHBondContact O-N 3.3Å; A25-V27 PolarHBondContact O-N 2.99Å; A25-V27 VanDerWaalsContact O-N 3.08Å
26Q36.5Very low41.4Very low168 Ų168130.7 Ų130.779%0.78574%0.735SS**  trans-70.4101.8164.8-68.4-166.96.100107N24 T28N24-Q26 PolarHBondContact O-N 3.19Å; N24-Q26 VanDerWaalsContact O-N 3.14Å; Q26-T28 PolarHBondContact O-N 3.08Å
27V37.2Very low41.2Very low131 Ų131133.1 Ų133.179%0.79473%0.734SS**  trans-69.3101.6155.5173.30000105.4A25 D29A25-V27 PolarHBondContact O-N 2.99Å; A25-V27 VanDerWaalsContact O-N 3.08Å; V27-D29 PolarHBondContact O-N 3.08Å; V27-D29 VanDerWaalsContact O-N 3.15Å
28T36.1Very low41.1Very low113 Ų113132.7 Ų132.769%0.69373%0.733SS**  trans-70.2103.9161.844.30000107.1Q26 I30Q26-T28 PolarHBondContact O-N 3.08Å; T28-I30 PolarHBondContact O-N 3.24Å
29D39.3Very low41.1Very low143 Ų143130.7 Ų130.777%0.76572%0.717SS**  trans-55.8116.4165.7-164.1-29.2000108.3V27 N31V27-D29 PolarHBondContact O-N 3.08Å; V27-D29 VanDerWaalsContact O-N 3.15Å; D29-N31 PolarHBondContact O-N 3.02Å
30I47.3Very low40.7Very low150 Ų150130.5 Ų130.577%0.76971%0.711SS**  trans-71.9102.4175.4-61.3177.3000106.1T28 S32T28-I30 PolarHBondContact O-N 3.24Å; I30-S32 PolarHBondContact O-N 3.28Å
31N47Very low40.9Very low118 Ų118130.9 Ų130.963%0.63171%0.708SS**  trans-54.3110.6172.9-174.8-12.6000109.9D29 K33 G34D29-N31 PolarHBondContact O-N 3.02Å; N31-K33 PolarHBondContact O-N 3.39Å; N31-K33 PolarHBondContact OD1-N 3.2Å; N31-G34 PolarHBondContact O-N 3.21Å
32S53.2Low41.3Very low104 Ų104126.6 Ų126.673%0.72770%0.7SS**THydrogen-bonded Turntrans-53.7-8.9-178.7177.70000114.8I30I30-S32 PolarHBondContact O-N 3.28Å
33K45.2Very low41.7Very low178 Ų178127.5 Ų127.577%0.77470%0.702SS**THydrogen-bonded Turntrans-89.5-6.5179.6-62.7-171.8177-178.40115.5N31N31-K33 PolarHBondContact O-N 3.39Å; N31-K33 PolarHBondContact OD1-N 3.2Å
34G41.7Very low42.5Very low52 Ų52126.9 Ų126.954%0.53670%0.698SS.*SBendtrans-89-13.2176.600000115.5N31N31-G34 PolarHBondContact O-N 3.21Å
35L46.1Very low42.9Very low109 Ų109129 Ų12957%0.57170%0.704SS**SBendtrans-84.8-25.6-177.2-169.970.8000112.8K39L35-K39 PolarHBondContact O-N 3.27Å
36E42.3Very low42.7Very low125 Ų125131 Ų13158%0.58471%0.707SS**Hα-helixtrans-78.2-27.5178.9-76-66.2129.100112.6R38 T40E36-R38 VanDerWaalsContact C-N 3.34Å; E36-R38 PolarHBondContact O-N 3.39Å; E36-T40 PolarHBondContact O-OG1 3.46Å; E36-T40 VanDerWaalsContact O-OG1 3.12Å
37L38.8Very low43.3Very low145 Ų145132.4 Ų132.476%0.75971%0.714SS**Hα-helixtrans-80.3-14.4177.2-14680.7000113.5
38R43.9Very low43.1Very low207 Ų207132.3 Ų132.378%0.78171%0.709SS**Hα-helixtrans-93.5-19.5173.9-84.2-175171.2-170.5-2.3113.7E36 T42E36-R38 VanDerWaalsContact C-N 3.34Å; E36-R38 PolarHBondContact O-N 3.39Å; R38-T42 PolarHBondContact O-OG1 2.91Å
39K40.7Very low43.6Very low132 Ų132134.4 Ų134.457%0.57472%0.715SS**Hα-helixtrans-79.8-24176.8-79.9-177.4178.6173.90113.4L35L35-K39 PolarHBondContact O-N 3.27Å
40T36.9Very low43.2Very low104 Ų104136.5 Ų136.564%0.63872%0.72SS**SBendtrans-92.5-4.3-175.9-33.60000114.3E36E36-T40 PolarHBondContact O-OG1 3.46Å; E36-T40 VanDerWaalsContact O-OG1 3.12Å
41V46.2Very low42.7Very low121 Ų121132.5 Ų132.573%0.73372%0.716SS**SBendtrans-100.5-4.7177-178.40000112.5
42T41.5Very low42Very low119 Ų119133.3 Ų133.373%0.7372%0.719SS**SBendtrans-102.629.7-179.5-260000112.8R38R38-T42 PolarHBondContact O-OG1 2.91Å
43T47.5Very low41.4Very low109 Ų109136 Ų13667%0.66972%0.72SS**SBendtrans-143.247.1177.650.70000112.6
44V49.8Very low41.8Very low120 Ų120133.5 Ų133.573%0.72771%0.711SS**SBendtrans-150.8121.9156-177.10000108.8
45E43.3Very low42.7Very low171 Ų171134.3 Ų134.380%0.79970%0.703SS**  trans63.896162.5-71.5173.7146.800119.8
46T35.5Very low43.5Very low131 Ų131129.8 Ų129.880%0.80468%0.683SS**  -142.871.8121.1-40.50000109.1N48T46-N48 HydrophobicContact CG2-CB 4.22Å; T46-N48 PolarHBondContact O-N 3.36Å
47Q50.1Low45.1Very low199 Ų199129.8 Ų129.893%0.9368%0.683SS**  trans-75.888.1143.1-75.3-175.6-16.400105.8
48N33.3Very low47.3Very low128 Ų128127.9 Ų127.968%0.68467%0.669SS**  trans-148.1120.3156.5-153.6-41.6000110.2T46 E50T46-N48 HydrophobicContact CG2-CB 4.22Å; T46-N48 PolarHBondContact O-N 3.36Å; N48-E50 PolarHBondContact O-N 2.95Å
49L47.1Very low49.4Very low157 Ų157118.7 Ų118.782%0.82264%0.636SS**  trans-41105.6171.9-175.673.7000113.8
50E31Very low51.8Low187 Ų187120 Ų12087%0.87464%0.644SS**  trans-124.3116.5149.8-73.1-172.2136.300107.2N48 L52N48-E50 PolarHBondContact O-N 2.95Å; E50-L52 PolarHBondContact O-N 3.37Å
51G35.3Very low54.4Low67 Ų67122.2 Ų122.269%0.69165%0.645SS**  trans-60.794.1-166.900000113.5H53G51-H53 PolarHBondContact O-N 3.32Å; G51-H53 VanDerWaalsContact O-N 3.09Å
52L33.3Very low56.8Low134 Ų134119.5 Ų119.570%0.70263%0.629SS**  trans-74.797.1161.9-163.169.8000106.7E50 H54E50-L52 PolarHBondContact O-N 3.37Å; L52-H54 VanDerWaalsContact C-N 3.29Å; L52-H54 PolarHBondContact O-CD2 2.9Å; L52-H54 PolarHBondContact O-N 3.43Å
53H40.6Very low59.4Low161 Ų161113.9 Ų113.975%0.74560%0.595SS**  trans-52.999.6166-79-106.8000107.6G51 D55G51-H53 PolarHBondContact O-N 3.32Å; G51-H53 VanDerWaalsContact O-N 3.09Å; H53-D55 PolarHBondContact O-N 2.9Å
54H53.8Low61.8Low125 Ų125111.6 Ų111.658%0.57958%0.582SS**  trans-6887169.4-79.7-85.1000106.8L52 G56 Q57L52-H54 VanDerWaalsContact C-N 3.29Å; L52-H54 PolarHBondContact O-CD2 2.9Å; L52-H54 PolarHBondContact O-N 3.43Å; H54-G56 PolarHBondContact O-N 3.23Å; H54-Q57 HydrophobicContact CB-CB 3.88Å; H54-Q57 HydrophobicContact CB-CG 4.34Å; H54-Q57 WeakPolarHBondContact O-CB 3.33Å; H54-Q57 PolarHBondContact O-N 3.38Å
55D60.6Low64.2Low70 Ų70108.6 Ų108.637%0.37457%0.565SS.*THydrogen-bonded Turntrans-46.4111.3178.4-111.219.2000109.1H53 S98H53-D55 PolarHBondContact O-N 2.9Å; D55-S98 PolarHBondContact OD2-OG 3.32Å
56G63.2Low66.8Low14 Ų14100.7 Ų100.714%0.14453%0.53CS..THydrogen-bonded Turntrans8511.3176.300000117.1H54 F58 C59H54-G56 PolarHBondContact O-N 3.23Å; G56-F58 PolarHBondContact O-N 2.94Å; G56-C59 PolarHBondContact O-N 3.11Å
57Q75Confident69.8Low124 Ų12497.6 Ų97.658%0.57951%0.506SS*.THydrogen-bonded Turntrans-54.8-26.1179.6-170.962.149.800114.4H54H54-Q57 HydrophobicContact CB-CB 3.88Å; H54-Q57 HydrophobicContact CB-CG 4.34Å; H54-Q57 WeakPolarHBondContact O-CB 3.33Å; H54-Q57 PolarHBondContact O-N 3.38Å
58F85.4Confident72Confident105 Ų10591.4 Ų91.446%0.46147%0.474SS..THydrogen-bonded Turntrans-107.46.7-178-54.1-61.5000113.7G56 C73 V75G56-F58 PolarHBondContact O-N 2.94Å; F58-C73 HydrophobicContact CB-CB 4.01Å; F58-V75 HydrophobicContact CD1-CB 4.47Å; F58-V75 HydrophobicContact CD1-CG2 3.61Å; F58-V75 HydrophobicContact CD2-CG2 4.12Å; F58-V75 HydrophobicContact CE1-CG2 3.4Å; F58-V75 HydrophobicContact CE2-CG2 3.92Å; F58-V75 HydrophobicContact CG-CG2 3.96Å; F58-V75 HydrophobicContact CZ-CG2 3.55Å
59C88.4Confident75.1Confident14 Ų1485.5 Ų85.510%0.09544%0.442CS..  trans-87.7131.6176.8-56.90000110.1G56 C73 F97G56-C59 PolarHBondContact O-N 3.11Å; C59-C73 WeakPolarHBondContact CA-SG 3.42Å; C59-C73 HydrophobicContact CB-CB 3.96Å; C59-C73 WeakPolarHBondContact CB-SG 3.33Å; C59-C73 WeakPolarHBondContact SG-CB 3.33Å; C59-C73 CovalentContact SG-SG 2.02Å; C59-C73 PolarHBondContact SG-SG 3.19Å; C59-F97 HydrophobicContact CB-CB 3.94Å; C59-F97 HydrophobicContact CB-CD1 3.64Å; C59-F97 HydrophobicContact CB-CG 4.24Å; C59-F97 PolarHBondContact SG-O 2.82Å
60H89.9Confident77.4Confident161 Ų16180 Ų8075%0.74542%0.419SS*.SBendtrans-90.9-32.2177.5-57.2-67.6000112.1E79H60-E79 WeakPolarHBondContact CB-OE2 3.41Å; H60-E79 IonicContact CD2-OE2 3.67Å; H60-E79 IonicContact CG-OE2 3.93Å; H60-E79 PolarHBondContact N-OE1 3.38Å; H60-E79 VanDerWaalsContact N-OE1 3.13Å; H60-E79 PolarHBondContact N-OE2 2.93Å
61K92.3Very high80.3Confident149 Ų14977.4 Ų77.465%0.64840%0.402SS*.SBendtrans-113.5127.8-176.5-62.2179.6-174.3176.30110.9K69 E79 F97K61-K69 WeakPolarHBondContact O-CE 3.4Å; K61-K69 PolarHBondContact O-NZ 3.01Å; K61-E79 PolarHBondContact N-OE1 2.91Å; K61-F97 VanDerWaalsContact C-CE1 3.43Å
62P95.3Very high83Confident64 Ų6477.6 Ų77.642%0.41639%0.387SS..PPolyproline II helixtrans-73.8152.6174.631.4-33.5000110.4A95 H96 F97P62-A95 HydrophobicContact CB-CB 4.33Å; P62-H96 WeakPolarHBondContact CA-O 3.37Å; P62-F97 HydrophobicContact CB-CD1 4.14Å; P62-F97 HydrophobicContact CB-CD2 4.42Å; P62-F97 HydrophobicContact CB-CE1 3.8Å; P62-F97 HydrophobicContact CB-CE2 4.06Å; P62-F97 HydrophobicContact CB-CG 4.46Å; P62-F97 HydrophobicContact CB-CZ 3.74Å; P62-F97 HydrophobicContact CG-CE1 4.19Å; P62-F97 HydrophobicContact CG-CZ 4.04Å
63C97.6Very high85.7Confident1 Ų171.8 Ų71.81%0.00736%0.357CS..BIsolated β-bridgetrans-83.4145.1165.1-64.40000110.1E67 R68 C82 A95 H96C63-E67 HydrophobicContact CB-CB 4.17Å; C63-R68 VanDerWaalsContact SG-C 3.55Å; C63-C82 WeakPolarHBondContact CA-SG 3.05Å; C63-C82 HydrophobicContact CB-CB 3.8Å; C63-C82 WeakPolarHBondContact CB-SG 3.5Å; C63-C82 WeakPolarHBondContact SG-CB 3.02Å; C63-C82 CovalentContact SG-SG 2.04Å; C63-C82 PolarHBondContact SG-SG 2.9Å; C63-A95 CarbonylContact O-C 3.54Å; C63-A95 WeakPolarHBondContact O-CA 3.27Å; C63-A95 VanDerWaalsContact O-CB 3.25Å; C63-A95 WeakPolarHBondContact O-CB 3.25Å; C63-H96 PolarHBondContact N-O 3.2Å; C63-H96 PolarHBondContact O-N 3.47Å; C63-H96 VanDerWaalsContact O-N 3.14Å
64P98.3Very high88Confident61 Ų6168 Ų6840%0.39635%0.346SS..PPolyproline II helixtrans-68.6166.6175.431.2-35.7000111.6G66 E67P64-G66 PolarHBondContact O-N 3.35Å; P64-E67 WeakPolarHBondContact CD-OE2 3.45Å; P64-E67 HydrophobicContact CG-CB 4.39Å; P64-E67 HydrophobicContact CG-CG 4.3Å; P64-E67 WeakPolarHBondContact CG-OE2 3.22Å; P64-E67 PolarHBondContact O-N 3.33Å
65P98.6Very high89.5Confident58 Ų5866.8 Ų66.838%0.37735%0.347SS..THydrogen-bonded Turntrans-53.4139.7170.9-23.333.4000111.6T92 T122P65-T92 CarbonylContact C-O 3.57Å; P65-T92 WeakPolarHBondContact CA-O 3.27Å; P65-T92 WeakPolarHBondContact CB-O 3.4Å; P65-T122 HydrophobicContact CB-CG2 4.07Å
66G98.3Very high90.5Very high5 Ų571.1 Ų71.15%0.05237%0.37CS..THydrogen-bonded Turntrans89.8-5.1-175.800000115.3P64 P84 C85 T92 R121P64-G66 PolarHBondContact O-N 3.35Å; G66-P84 WeakPolarHBondContact O-CA 3.31Å; G66-C85 PolarHBondContact O-N 2.82Å; G66-C85 PolarHBondContact O-SG 2.93Å; G66-T92 WeakPolarHBondContact CA-OG1 3.34Å; G66-T92 PolarHBondContact N-O 3.37Å; G66-T92 PolarHBondContact N-OG1 3.45Å; G66-R121 VanDerWaalsContact CA-O 3.26Å; G66-R121 WeakPolarHBondContact CA-O 3.31Å
67E98.5Very high91.3Very high65 Ų6572.2 Ų72.230%0.30438%0.381SS..EExtended strand (participates in β ladder)trans-129.1163.2-179.2-61.8-178.4-175.100112C63 P64 C82 V83 T92 H96C63-E67 HydrophobicContact CB-CB 4.17Å; P64-E67 WeakPolarHBondContact CD-OE2 3.45Å; P64-E67 HydrophobicContact CG-CB 4.39Å; P64-E67 HydrophobicContact CG-CG 4.3Å; P64-E67 WeakPolarHBondContact CG-OE2 3.22Å; P64-E67 PolarHBondContact O-N 3.33Å; E67-C82 HydrophobicContact CB-CB 4.12Å; E67-C82 WeakPolarHBondContact OE2-CB 3.27Å; E67-V83 CarbonylContact C-O 3.43Å; E67-V83 VanDerWaalsContact CA-O 3.25Å; E67-V83 WeakPolarHBondContact CA-O 3.35Å; E67-V83 WeakPolarHBondContact CB-O 3.5Å; E67-T92 PolarHBondContact N-OG1 3.41Å; E67-T92 PolarHBondContact O-OG1 3.45Å; E67-H96 PolarHBondContact O-NE2 3.42Å
68R97.5Very high91.9Very high69 Ų6973 Ų7326%0.2639%0.389SS..EExtended strand (participates in β ladder)trans-138.6161.1174.663.6-179.3-169.572.34110.1C63 A70 C82 V83 S99 C101C63-R68 VanDerWaalsContact SG-C 3.55Å; R68-A70 PolarHBondContact NH1-O 3.36Å; R68-A70 PolarHBondContact O-N 3.41Å; R68-C82 CarbonylContact O-C 3.58Å; R68-C82 WeakPolarHBondContact O-CA 3.38Å; R68-V83 HydrophobicContact CG-CG2 3.92Å; R68-V83 PolarHBondContact N-O 3.04Å; R68-V83 PolarHBondContact O-N 3.46Å; R68-S99 WeakPolarHBondContact CD-O 3.27Å; R68-S99 PolarHBondContact NH1-O 2.99Å; R68-C101 VanDerWaalsContact CD-SG 3.51Å
69K96.7Very high92Very high5 Ų570.7 Ų70.72%0.02238%0.38CS..EExtended strand (participates in β ladder)trans-62.7137.8169.1-64.8-75.3174.61740110K61 R71 E79 P80 F97 S98 S99K61-K69 WeakPolarHBondContact O-CE 3.4Å; K61-K69 PolarHBondContact O-NZ 3.01Å; K69-R71 VanDerWaalsContact CB-O 3.25Å; K69-R71 WeakPolarHBondContact CB-O 3.25Å; K69-R71 PolarHBondContact O-N 3.46Å; K69-E79 IonicContact NZ-OE1 3.73Å; K69-E79 PolarHBondContact NZ-OE1 3.38Å; K69-P80 HydrophobicContact CB-CB 4.47Å; K69-P80 HydrophobicContact CD-CB 4.44Å; K69-P80 VanDerWaalsContact CD-O 3.28Å; K69-P80 WeakPolarHBondContact CD-O 3.43Å; K69-P80 PolarHBondContact NZ-O 3.28Å; K69-F97 WeakPolarHBondContact CG-O 3.49Å; K69-S98 PolarHBondContact N-O 3.05Å; K69-S98 VanDerWaalsContact N-O 3.13Å; K69-S99 VanDerWaalsContact O-CA 3.26Å; K69-S99 WeakPolarHBondContact O-CA 3.31Å; K69-S99 WeakPolarHBondContact O-CB 3.47Å
70A96.1Very high92.2Very high41 Ų4170.3 Ų70.334%0.33938%0.377SS..SBendtrans-55.9-37.4179.500000112.4R68 P80 D81 V83R68-A70 PolarHBondContact NH1-O 3.36Å; R68-A70 PolarHBondContact O-N 3.41Å; A70-P80 HydrophobicContact CB-CB 4.31Å; A70-D81 WeakPolarHBondContact CB-O 3.25Å; A70-D81 PolarHBondContact N-O 3.05Å; A70-V83 HydrophobicContact CB-CG1 3.93Å; A70-V83 HydrophobicContact CB-CG2 4.28Å
71R92.9Very high92.5Very high132 Ų13268.9 Ų68.950%0.49838%0.375SS..SBendtrans-146.3172.3175.262.8-178.1-179.9-82.7-6.2109.3K69 D78 P80 S99K69-R71 VanDerWaalsContact CB-O 3.25Å; K69-R71 WeakPolarHBondContact CB-O 3.25Å; K69-R71 PolarHBondContact O-N 3.46Å; R71-D78 PolarHBondContact NH2-O 3.26Å; R71-P80 HydrophobicContact CG-CB 3.81Å; R71-P80 HydrophobicContact CG-CG 3.43Å; R71-P80 VanDerWaalsContact CG-CG 3.43Å; R71-P80 WeakPolarHBondContact O-CG 3.33Å; R71-S99 VanDerWaalsContact C-CB 3.46Å
72D91.9Very high92.8Very high71 Ų7163.9 Ų63.938%0.3836%0.358SS..  trans-64.6143.7174.1-66.2-39.7000111.7S99D72-S99 WeakPolarHBondContact OD1-CB 3.45Å; D72-S99 PolarHBondContact OD1-OG 3.04Å
73C89.9Confident93Very high13 Ų1362.8 Ų62.89%0.08835%0.351CS..  trans-73.2140.1173.3-57.90000110.3F58 C59F58-C73 HydrophobicContact CB-CB 4.01Å; C59-C73 WeakPolarHBondContact CA-SG 3.42Å; C59-C73 HydrophobicContact CB-CB 3.96Å; C59-C73 WeakPolarHBondContact CB-SG 3.33Å; C59-C73 WeakPolarHBondContact SG-CB 3.33Å; C59-C73 CovalentContact SG-SG 2.02Å; C59-C73 PolarHBondContact SG-SG 3.19Å
74T88.3Confident93Very high81 Ų8166.5 Ų66.550%0.49738%0.375SS..  trans-119.3147.2177.955.10000109.7N76 G77T74-N76 PolarHBondContact O-N 3.3Å; T74-N76 VanDerWaalsContact O-N 3.13Å; T74-G77 PolarHBondContact O-N 2.9Å; T74-G77 WeakPolarHBondContact OG1-CA 3.34Å; T74-G77 PolarHBondContact OG1-N 3.01Å
75V85.4Confident93Very high99 Ų9963.8 Ų63.860%0.636%0.357SS*.THydrogen-bonded Turntrans-50-42.1-177.8-1730000113.6F58F58-V75 HydrophobicContact CD1-CB 4.47Å; F58-V75 HydrophobicContact CD1-CG2 3.61Å; F58-V75 HydrophobicContact CD2-CG2 4.12Å; F58-V75 HydrophobicContact CE1-CG2 3.4Å; F58-V75 HydrophobicContact CE2-CG2 3.92Å; F58-V75 HydrophobicContact CG-CG2 3.96Å; F58-V75 HydrophobicContact CZ-CG2 3.55Å
76N81.1Confident93Very high161 Ų16165.9 Ų65.986%0.86136%0.362SS*.THydrogen-bonded Turntrans-111.77.6-170.5-58.9-44.7000113.5T74T74-N76 PolarHBondContact O-N 3.3Å; T74-N76 VanDerWaalsContact O-N 3.13Å
77G80.9Confident93Very high37 Ų3769.7 Ų69.738%0.38138%0.378SS..SBendtrans-107.6156.6-175.800000111.9T74 E79T74-G77 PolarHBondContact O-N 2.9Å; T74-G77 WeakPolarHBondContact OG1-CA 3.34Å; T74-G77 PolarHBondContact OG1-N 3.01Å; G77-E79 PolarHBondContact O-N 2.95Å
78D85.9Confident92.8Very high140 Ų14068.8 Ų68.875%0.74939%0.386SS*.PPolyproline II helixtrans-58.6135.6173.7-60.4-54.4000110.7R71 P80R71-D78 PolarHBondContact NH2-O 3.26Å; D78-P80 WeakPolarHBondContact O-CD 3.44Å
79E88.5Confident92.8Very high58 Ų5871.4 Ų71.427%0.27140%0.399SS..PPolyproline II helixtrans-62.2123.4-178.9-174.5158.8-17700110.1H60 K61 K69 G77H60-E79 WeakPolarHBondContact CB-OE2 3.41Å; H60-E79 IonicContact CD2-OE2 3.67Å; H60-E79 IonicContact CG-OE2 3.93Å; H60-E79 PolarHBondContact N-OE1 3.38Å; H60-E79 VanDerWaalsContact N-OE1 3.13Å; H60-E79 PolarHBondContact N-OE2 2.93Å; K61-E79 PolarHBondContact N-OE1 2.91Å; K69-E79 IonicContact NZ-OE1 3.73Å; K69-E79 PolarHBondContact NZ-OE1 3.38Å; G77-E79 PolarHBondContact O-N 2.95Å
80P93.1Very high92.9Very high5 Ų573.5 Ų73.53%0.03241%0.409CS..PPolyproline II helixtrans-64.6142.3-178-22.133.7000112.8K69 A70 R71 D78K69-P80 HydrophobicContact CB-CB 4.47Å; K69-P80 HydrophobicContact CD-CB 4.44Å; K69-P80 VanDerWaalsContact CD-O 3.28Å; K69-P80 WeakPolarHBondContact CD-O 3.43Å; K69-P80 PolarHBondContact NZ-O 3.28Å; A70-P80 HydrophobicContact CB-CB 4.31Å; R71-P80 HydrophobicContact CG-CB 3.81Å; R71-P80 HydrophobicContact CG-CG 3.43Å; R71-P80 VanDerWaalsContact CG-CG 3.43Å; R71-P80 WeakPolarHBondContact O-CG 3.33Å; D78-P80 WeakPolarHBondContact O-CD 3.44Å
81D96.3Very high93Very high132 Ų13272.5 Ų72.571%0.70640%0.397SS*.PPolyproline II helixtrans-61.9155.4170.3-65.8-44.2000111.8A70A70-D81 WeakPolarHBondContact CB-O 3.25Å; A70-D81 PolarHBondContact N-O 3.05Å
82C98Very high93.3Very high43 Ų4366.4 Ų66.429%0.29137%0.374SS..EExtended strand (participates in β ladder)trans-82.6133.9171.5-60.40000109.9C63 E67 R68C63-C82 WeakPolarHBondContact CA-SG 3.05Å; C63-C82 HydrophobicContact CB-CB 3.8Å; C63-C82 WeakPolarHBondContact CB-SG 3.5Å; C63-C82 WeakPolarHBondContact SG-CB 3.02Å; C63-C82 CovalentContact SG-SG 2.04Å; C63-C82 PolarHBondContact SG-SG 2.9Å; E67-C82 HydrophobicContact CB-CB 4.12Å; E67-C82 WeakPolarHBondContact OE2-CB 3.27Å; R68-C82 CarbonylContact O-C 3.58Å; R68-C82 WeakPolarHBondContact O-CA 3.38Å
83V98.4Very high93.6Very high42 Ų4266.6 Ų66.626%0.25538%0.375SS..EExtended strand (participates in β ladder)trans-124.9146.4179.5-63.60000109.6E67 R68 A70E67-V83 CarbonylContact C-O 3.43Å; E67-V83 VanDerWaalsContact CA-O 3.25Å; E67-V83 WeakPolarHBondContact CA-O 3.35Å; E67-V83 WeakPolarHBondContact CB-O 3.5Å; R68-V83 HydrophobicContact CG-CG2 3.92Å; R68-V83 PolarHBondContact N-O 3.04Å; R68-V83 PolarHBondContact O-N 3.46Å; A70-V83 HydrophobicContact CB-CG1 3.93Å; A70-V83 HydrophobicContact CB-CG2 4.28Å
84P98.6Very high94Very high79 Ų7973.2 Ų73.251%0.51340%0.402SS..EExtended strand (participates in β ladder)trans-66.6147-176.126.7-35000112.3G66G66-P84 WeakPolarHBondContact O-CA 3.31Å
85C98.6Very high94.4Very high3 Ų372.2 Ų72.22%0.0240%0.402CS..  trans-63.4158.1166.8-58.20000111.1G66 E87 E90 C101 R121G66-C85 PolarHBondContact O-N 2.82Å; G66-C85 PolarHBondContact O-SG 2.93Å; C85-E87 PolarHBondContact O-N 3.34Å; C85-E90 HydrophobicContact CB-CB 4.12Å; C85-C101 WeakPolarHBondContact CA-SG 3.47Å; C85-C101 HydrophobicContact CB-CB 3.85Å; C85-C101 WeakPolarHBondContact CB-SG 3.48Å; C85-C101 WeakPolarHBondContact SG-CB 3.5Å; C85-C101 CovalentContact SG-SG 2.03Å; C85-C101 PolarHBondContact SG-SG 2.86Å; C85-R121 HydrophobicContact CB-CG 4.22Å; C85-R121 PolarHBondContact O-NE 2.79Å
86Q98.3Very high94.8Very high103 Ų10369.2 Ų69.248%0.48138%0.382SS..  trans-72110.8174.3-171.7167.123.900110.7G88 K89 E90Q86-G88 PolarHBondContact O-N 3.13Å; Q86-K89 HydrophobicContact CB-CB 4.32Å; Q86-K89 HydrophobicContact CG-CB 4.12Å; Q86-K89 HydrophobicContact CG-CD 4.15Å; Q86-K89 HydrophobicContact CG-CG 4.27Å; Q86-K89 PolarHBondContact O-N 3.49Å; Q86-E90 HydrophobicContact CB-CG 4.45Å; Q86-E90 PolarHBondContact O-N 2.04Å
87E97.4Very high95.5Very high85 Ų8565.4 Ų65.440%0.39736%0.358SS..THydrogen-bonded Turntrans-51.6134-179.7-16968-12400111.7C85 K89 T120 R121C85-E87 PolarHBondContact O-N 3.34Å; E87-K89 PolarHBondContact O-N 3.29Å; E87-K89 VanDerWaalsContact O-N 3.13Å; E87-T120 WeakPolarHBondContact OE1-CA 3.43Å; E87-R121 PolarHBondContact OE1-N 2.73Å; E87-R121 WeakPolarHBondContact OE2-CD 3.49Å; E87-R121 VanDerWaalsContact OE2-CG 3.26Å; E87-R121 WeakPolarHBondContact OE2-CG 3.49Å; E87-R121 IonicContact OE2-CZ 2.62Å; E87-R121 IonicContact OE2-NE 2.73Å; E87-R121 PolarHBondContact OE2-NE 2.72Å; E87-R121 IonicContact OE2-NH1 3.33Å; E87-R121 PolarHBondContact OE2-NH1 3.3Å
88G95.5Very high96.2Very high45 Ų4564.6 Ų64.646%0.46435%0.346SS..THydrogen-bonded Turntrans70.9-4.7-179.600000116Q86Q86-G88 PolarHBondContact O-N 3.13Å
89K97.9Very high96.6Very high125 Ų12558.5 Ų58.554%0.54331%0.314SS..THydrogen-bonded Turntrans-121.5-32.6178.5-59.1-167-167.1167.80113.6Q86 E87 C104Q86-K89 HydrophobicContact CB-CB 4.32Å; Q86-K89 HydrophobicContact CG-CB 4.12Å; Q86-K89 HydrophobicContact CG-CD 4.15Å; Q86-K89 HydrophobicContact CG-CG 4.27Å; Q86-K89 PolarHBondContact O-N 3.49Å; E87-K89 PolarHBondContact O-N 3.29Å; E87-K89 VanDerWaalsContact O-N 3.13Å; K89-C104 PolarHBondContact O-N 3.39Å; K89-C104 PolarHBondContact O-SG 2.86Å; K89-C104 VanDerWaalsContact O-SG 3.33Å
90E98.5Very high97Very high49 Ų4961.7 Ų61.723%0.22933%0.328CS..EExtended strand (participates in β ladder)trans-137.4151.6-179.2-57.9-175.9150.200111.9C85 Q86 C101 R102 C104C85-E90 HydrophobicContact CB-CB 4.12Å; Q86-E90 HydrophobicContact CB-CG 4.45Å; Q86-E90 PolarHBondContact O-N 2.04Å; E90-C101 HydrophobicContact CB-CB 3.64Å; E90-C101 HydrophobicContact CG-CB 4.41Å; E90-R102 CarbonylContact C-O 3.34Å; E90-R102 WeakPolarHBondContact CA-O 3.28Å; E90-R102 WeakPolarHBondContact CB-O 3.45Å; E90-C104 PolarHBondContact N-SG 2.02Å; E90-C104 VanDerWaalsContact N-SG 3.36Å
91Y98.5Very high97.2Very high20 Ų2062.3 Ų62.38%0.07833%0.331CS..EExtended strand (participates in β ladder)trans-148.2157.5-179.381.9-78.2000112.4D93 R102 R103 T120 R121 N124Y91-D93 HydrophobicContact CD2-CB 4.28Å; Y91-D93 HydrophobicContact CE2-CB 4.13Å; Y91-R102 HydrophobicContact CD1-CB 4.05Å; Y91-R102 WeakPolarHBondContact CD1-O 3.37Å; Y91-R102 HydrophobicContact CE1-CB 3.66Å; Y91-R102 PolarHBondContact N-O 2.91Å; Y91-R102 WeakPolarHBondContact O-CB 3.36Å; Y91-R102 PolarHBondContact O-N 3.4Å; Y91-R103 WeakPolarHBondContact CE1-O 3.04Å; Y91-T120 WeakPolarHBondContact CB-O 3.01Å; Y91-R121 CarbonylContact C-O 3.59Å; Y91-R121 WeakPolarHBondContact CA-O 3.04Å; Y91-R121 WeakPolarHBondContact CB-O 3.38Å; Y91-N124 HydrophobicContact CD1-CB 4.05Å; Y91-N124 HydrophobicContact CD2-CB 4.1Å; Y91-N124 HydrophobicContact CE1-CB 3.59Å; Y91-N124 WeakPolarHBondContact CE1-OD1 3.46Å; Y91-N124 HydrophobicContact CE2-CB 3.66Å; Y91-N124 HydrophobicContact CG-CB 4.29Å; Y91-N124 VanDerWaalsContact CZ-CG 3.46Å; Y91-N124 PolarHBondContact OH-ND2 2.85Å
92T98.3Very high97.3Very high4 Ų463 Ų633%0.02532%0.324CS..  trans-139.2117.3166.958.60000108P65 G66 E67 H96 C101 R121 T122P65-T92 CarbonylContact C-O 3.57Å; P65-T92 WeakPolarHBondContact CA-O 3.27Å; P65-T92 WeakPolarHBondContact CB-O 3.4Å; G66-T92 WeakPolarHBondContact CA-OG1 3.34Å; G66-T92 PolarHBondContact N-O 3.37Å; G66-T92 PolarHBondContact N-OG1 3.45Å; E67-T92 PolarHBondContact N-OG1 3.41Å; E67-T92 PolarHBondContact O-OG1 3.45Å; T92-H96 WeakPolarHBondContact CG2-NE2 3.24Å; T92-C101 HydrophobicContact CG2-CB 3.85Å; T92-R121 PolarHBondContact N-O 2.74Å; T92-T122 WeakPolarHBondContact O-CA 3.05Å
93D97.9Very high97.3Very high74 Ų7471 Ų7140%0.39635%0.349SS..SBendtrans-89.7-12.2-174.260.9-21.2000113.3Y91 T122Y91-D93 HydrophobicContact CD2-CB 4.28Å; Y91-D93 HydrophobicContact CE2-CB 4.13Å; D93-T122 WeakPolarHBondContact CA-O 3.37Å
94K97.7Very high97.3Very high152 Ų15269.9 Ų69.966%0.66134%0.342SS*.SBendtrans-138.1154.4-179.2-62.8-176.2-176.9-177.10110H96K94-H96 PolarHBondContact O-CD2 2.88Å
95A97.1Very high97.1Very high60 Ų6070.9 Ų70.950%0.49634%0.336SS..  trans-63.5140.3173.800000111.1P62 C63P62-A95 HydrophobicContact CB-CB 4.33Å; C63-A95 CarbonylContact O-C 3.54Å; C63-A95 WeakPolarHBondContact O-CA 3.27Å; C63-A95 VanDerWaalsContact O-CB 3.25Å; C63-A95 WeakPolarHBondContact O-CB 3.25Å
96H95.3Very high97Very high37 Ų3778.3 Ų78.317%0.17137%0.374CS..BIsolated β-bridgetrans-154171.7-178.768.182000112.9P62 C63 E67 T92 K94 S98 K100P62-H96 WeakPolarHBondContact CA-O 3.37Å; C63-H96 PolarHBondContact N-O 3.2Å; C63-H96 PolarHBondContact O-N 3.47Å; C63-H96 VanDerWaalsContact O-N 3.14Å; E67-H96 PolarHBondContact O-NE2 3.42Å; T92-H96 WeakPolarHBondContact CG2-NE2 3.24Å; K94-H96 PolarHBondContact O-CD2 2.88Å; H96-S98 PolarHBondContact CE1-O 2.76Å; H96-S98 PolarHBondContact ND1-N 3.16Å; H96-S98 PolarHBondContact ND1-O 3.49Å; H96-K100 PolarHBondContact CE1-O 3.26Å
97F95.2Very high96.9Very high81 Ų8174.2 Ų74.236%0.35536%0.357SS..  trans-105-8.3-178.7-61.2-87.3000114C59 K61 P62 K69C59-F97 HydrophobicContact CB-CB 3.94Å; C59-F97 HydrophobicContact CB-CD1 3.64Å; C59-F97 HydrophobicContact CB-CG 4.24Å; C59-F97 PolarHBondContact SG-O 2.82Å; K61-F97 VanDerWaalsContact C-CE1 3.43Å; P62-F97 HydrophobicContact CB-CD1 4.14Å; P62-F97 HydrophobicContact CB-CD2 4.42Å; P62-F97 HydrophobicContact CB-CE1 3.8Å; P62-F97 HydrophobicContact CB-CE2 4.06Å; P62-F97 HydrophobicContact CB-CG 4.46Å; P62-F97 HydrophobicContact CB-CZ 3.74Å; P62-F97 HydrophobicContact CG-CE1 4.19Å; P62-F97 HydrophobicContact CG-CZ 4.04Å; K69-F97 WeakPolarHBondContact CG-O 3.49Å
98S94.4Very high96.8Very high19 Ų1974.1 Ų74.113%0.13336%0.359CS..  trans-66.2153178.2179.70000113D55 K69 H96 K100D55-S98 PolarHBondContact OD2-OG 3.32Å; K69-S98 PolarHBondContact N-O 3.05Å; K69-S98 VanDerWaalsContact N-O 3.13Å; H96-S98 PolarHBondContact CE1-O 2.76Å; H96-S98 PolarHBondContact ND1-N 3.16Å; H96-S98 PolarHBondContact ND1-O 3.49Å; S98-K100 VanDerWaalsContact C-N 3.26Å; S98-K100 PolarHBondContact OG-N 2.84Å; S98-K100 VanDerWaalsContact OG-N 3.1Å
99S95.6Very high96.7Very high12 Ų1278.6 Ų78.68%0.08437%0.368CS..SBendtrans-845.8170.268.30000114R68 K69 R71 D72R68-S99 WeakPolarHBondContact CD-O 3.27Å; R68-S99 PolarHBondContact NH1-O 2.99Å; K69-S99 VanDerWaalsContact O-CA 3.26Å; K69-S99 WeakPolarHBondContact O-CA 3.31Å; K69-S99 WeakPolarHBondContact O-CB 3.47Å; R71-S99 VanDerWaalsContact C-CB 3.46Å; D72-S99 WeakPolarHBondContact OD1-CB 3.45Å; D72-S99 PolarHBondContact OD1-OG 3.04Å
100K96.3Very high96.5Very high126 Ų12675.9 Ų75.955%0.54838%0.376SS..  trans-121.5141.9-176-65170.5-175.71520112H96 S98H96-K100 PolarHBondContact CE1-O 3.26Å; S98-K100 VanDerWaalsContact C-N 3.26Å; S98-K100 PolarHBondContact OG-N 2.84Å; S98-K100 VanDerWaalsContact OG-N 3.1Å
101C98.1Very high96.4Very high17 Ų1778.1 Ų78.112%0.11539%0.386CS..PPolyproline II helixtrans-90.8162.5165.8-63.20000110.6R68 C85 E90 T92R68-C101 VanDerWaalsContact CD-SG 3.51Å; C85-C101 WeakPolarHBondContact CA-SG 3.47Å; C85-C101 HydrophobicContact CB-CB 3.85Å; C85-C101 WeakPolarHBondContact CB-SG 3.48Å; C85-C101 WeakPolarHBondContact SG-CB 3.5Å; C85-C101 CovalentContact SG-SG 2.03Å; C85-C101 PolarHBondContact SG-SG 2.86Å; E90-C101 HydrophobicContact CB-CB 3.64Å; E90-C101 HydrophobicContact CG-CB 4.41Å; T92-C101 HydrophobicContact CG2-CB 3.85Å
102R98Very high96.3Very high148 Ų14877.3 Ų77.356%0.55838%0.383SS*.EExtended strand (participates in β ladder)trans-84.3142.1173.4-59.4179.1177.8-165.8-2.1109.3E90 Y91E90-R102 CarbonylContact C-O 3.34Å; E90-R102 WeakPolarHBondContact CA-O 3.28Å; E90-R102 WeakPolarHBondContact CB-O 3.45Å; Y91-R102 HydrophobicContact CD1-CB 4.05Å; Y91-R102 WeakPolarHBondContact CD1-O 3.37Å; Y91-R102 HydrophobicContact CE1-CB 3.66Å; Y91-R102 PolarHBondContact N-O 2.91Å; Y91-R102 WeakPolarHBondContact O-CB 3.36Å; Y91-R102 PolarHBondContact O-N 3.4Å
103R98.2Very high96.2Very high211 Ų21177.6 Ų77.680%0.79639%0.385SS*.EExtended strand (participates in β ladder)trans-71139173.6-68.4-174.6-179.9170.71.3110.5Y91Y91-R103 WeakPolarHBondContact CE1-O 3.04Å
104C97.9Very high96.1Very high18 Ų1876.3 Ų76.312%0.12238%0.377CS..PPolyproline II helixtrans-60.2137.5171.7-62.10000110.1K89 E90 C119 N124K89-C104 PolarHBondContact O-N 3.39Å; K89-C104 PolarHBondContact O-SG 2.86Å; K89-C104 VanDerWaalsContact O-SG 3.33Å; E90-C104 PolarHBondContact N-SG 2.02Å; E90-C104 VanDerWaalsContact N-SG 3.36Å; C104-C119 HydrophobicContact CB-CB 3.55Å; C104-C119 WeakPolarHBondContact CB-SG 3.08Å; C104-C119 WeakPolarHBondContact SG-CB 3.39Å; C104-C119 CovalentContact SG-SG 2.01Å; C104-C119 PolarHBondContact SG-SG 2.79Å; C104-N124 WeakPolarHBondContact CA-OD1 3.46Å
105R95.1Very high96.1Very high99 Ų9972.3 Ų72.337%0.37436%0.364SS..PPolyproline II helixtrans-70.7147.9172.474.4171.6173.1160.1-8.4110.1N124 T125R105-N124 PolarHBondContact N-OD1 3.48Å; R105-T125 PolarHBondContact NE-O 2.82Å; R105-T125 PolarHBondContact NH2-O 3.13Å; R105-T125 VanDerWaalsContact O-CB 3.23Å; R105-T125 WeakPolarHBondContact O-CB 3.49Å; R105-T125 PolarHBondContact O-OG1 3.4Å
106L95.3Very high96Very high159 Ų15974.6 Ų74.683%0.83237%0.365SS*.PPolyproline II helixtrans-96.4146.7170.8-58.9178000109.1
107C95.8Very high96Very high18 Ų1876 Ų7612%0.12237%0.373CS..  trans-98.1100.4171.3-51.70000107E109 L113 V115 C127C107-E109 PolarHBondContact O-N 3.3Å; C107-L113 HydrophobicContact CB-CB 4.16Å; C107-V115 HydrophobicContact CB-CG2 4.01Å; C107-C127 WeakPolarHBondContact CA-SG 3.16Å; C107-C127 HydrophobicContact CB-CB 3.77Å; C107-C127 WeakPolarHBondContact CB-SG 3.5Å; C107-C127 WeakPolarHBondContact SG-CA 3.49Å; C107-C127 WeakPolarHBondContact SG-CB 3.14Å; C107-C127 CovalentContact SG-SG 2.03Å; C107-C127 PolarHBondContact SG-SG 3.07Å
108D95.4Very high96.2Very high83 Ų8377.9 Ų77.944%0.44439%0.387SS..  trans-71.8114.5-176-168.8-19.2000110.5G110 H111 L113D108-G110 PolarHBondContact O-N 3.21Å; D108-G110 PolarHBondContact OD1-N 3.25Å; D108-H111 HydrophobicContact CB-CB 4.15Å; D108-H111 PolarHBondContact O-N 2.99Å; D108-H111 IonicContact OD2-CE1 3.1Å; D108-H111 IonicContact OD2-ND1 3.98Å; D108-L113 WeakPolarHBondContact O-CB 3.3Å; D108-L113 PolarHBondContact O-N 2.89Å
109E94.4Very high96.3Very high138 Ų13877.5 Ų77.565%0.64538%0.384SS*.G310 helixtrans-60.2-30.9177.3-77.2-152.6-159.200113.6C107 H111 G112 L113 K130C107-E109 PolarHBondContact O-N 3.3Å; E109-H111 VanDerWaalsContact C-N 3.27Å; E109-G112 PolarHBondContact O-N 3.21Å; E109-L113 WeakPolarHBondContact CA-O 3.43Å; E109-K130 VanDerWaalsContact CD-NZ 3.35Å; E109-K130 VanDerWaalsContact CG-NZ 3.34Å; E109-K130 PolarHBondContact O-NZ 3.11Å; E109-K130 IonicContact OE2-NZ 2.74Å; E109-K130 PolarHBondContact OE2-NZ 3.24Å
110G94.2Very high96.5Very high69 Ų6979.3 Ų79.371%0.71140%0.395SS*.G310 helixtrans-71.5-22.3176.200000113.1D108 G112D108-G110 PolarHBondContact O-N 3.21Å; D108-G110 PolarHBondContact OD1-N 3.25Å; G110-G112 VanDerWaalsContact C-N 3.28Å
111H95.6Very high96.6Very high96 Ų9678.1 Ų78.144%0.44439%0.387SS..G310 helixtrans-90.112.7171.5-67.7171000113D108 E109 L113 H142 C143D108-H111 HydrophobicContact CB-CB 4.15Å; D108-H111 PolarHBondContact O-N 2.99Å; D108-H111 IonicContact OD2-CE1 3.1Å; D108-H111 IonicContact OD2-ND1 3.98Å; E109-H111 VanDerWaalsContact C-N 3.27Å; H111-L113 VanDerWaalsContact C-N 3.26Å; H111-L113 HydrophobicContact CB-CD1 4.22Å; H111-L113 PolarHBondContact O-N 3.06Å; H111-H142 HydrophobicContact CB-CB 3.88Å; H111-H142 WeakPolarHBondContact O-CA 3.37Å; H111-C143 PolarHBondContact O-N 2.84Å
112G95.8Very high96.6Very high2 Ų280.9 Ų80.92%0.02140%0.403CS..THydrogen-bonded Turntrans7120.7179.700000113.6E109 G110 C129 K130E109-G112 PolarHBondContact O-N 3.21Å; G110-G112 VanDerWaalsContact C-N 3.28Å; G112-C129 WeakPolarHBondContact O-CA 3.38Å; G112-K130 WeakPolarHBondContact O-CB 2.94Å; G112-K130 PolarHBondContact O-N 2.02Å
113L96.9Very high96.6Very high11 Ų1177.2 Ų77.26%0.05839%0.392CS..EExtended strand (participates in β ladder)trans-101.7153.2178.3-65.7162.8000111.3C107 D108 E109 H111 C127 R128 K130 E141 C143C107-L113 HydrophobicContact CB-CB 4.16Å; D108-L113 WeakPolarHBondContact O-CB 3.3Å; D108-L113 PolarHBondContact O-N 2.89Å; E109-L113 WeakPolarHBondContact CA-O 3.43Å; H111-L113 VanDerWaalsContact C-N 3.26Å; H111-L113 HydrophobicContact CB-CD1 4.22Å; H111-L113 PolarHBondContact O-N 3.06Å; L113-C127 HydrophobicContact CD2-CB 4.22Å; L113-R128 CarbonylContact C-O 3.56Å; L113-R128 WeakPolarHBondContact CA-O 3.02Å; L113-K130 VanDerWaalsContact O-CE 3.28Å; L113-K130 WeakPolarHBondContact O-CE 3.4Å; L113-E141 WeakPolarHBondContact CD1-O 3.49Å; L113-C143 VanDerWaalsContact CD2-SG 3.52Å
114E96.1Very high96.5Very high47 Ų4769 Ų6922%0.2236%0.364CS..EExtended strand (participates in β ladder)trans-139.8160.8169.962.4177.7-146.900110.8E116 C127 R128 K130 P131E114-E116 PolarHBondContact O-N 3.37Å; E114-C127 VanDerWaalsContact O-CA 3.31Å; E114-C127 WeakPolarHBondContact O-CA 3.46Å; E114-R128 HydrophobicContact CG-CG 3.74Å; E114-R128 PolarHBondContact N-O 2.92Å; E114-R128 PolarHBondContact O-N 2.84Å; E114-R128 IonicContact OE1-CZ 3.98Å; E114-R128 IonicContact OE1-NE 2.82Å; E114-R128 PolarHBondContact OE1-NE 3.42Å; E114-R128 IonicContact OE1-NH2 3.04Å; E114-R128 PolarHBondContact OE1-NH2 2.04Å; E114-K130 HydrophobicContact CB-CG 3.88Å; E114-K130 HydrophobicContact CG-CG 4.06Å; E114-P131 WeakPolarHBondContact OE2-CD 3.4Å
115V96.6Very high96.5Very high67 Ų6768.7 Ų68.741%0.40636%0.362SS..EExtended strand (participates in β ladder)trans-74.6122.2178.7-178.70000109.7C107 N118 T125C107-V115 HydrophobicContact CB-CG2 4.01Å; V115-N118 WeakPolarHBondContact CG1-OD1 3.37Å; V115-T125 HydrophobicContact CG1-CG2 3.96Å; V115-T125 HydrophobicContact CG2-CG2 4.22Å
116E95.3Very high96.5Very high108 Ų10868.3 Ų68.351%0.50536%0.363SS..EExtended strand (participates in β ladder)trans-92-45.8169.5-173.9179.9-162.300111E114 K126 R128E114-E116 PolarHBondContact O-N 3.37Å; E116-K126 HydrophobicContact CB-CB 4.47Å; E116-K126 WeakPolarHBondContact CB-O 2.9Å; E116-K126 PolarHBondContact N-O 2.82Å; E116-R128 HydrophobicContact CB-CB 4.12Å; E116-R128 HydrophobicContact CB-CG 3.91Å; E116-R128 HydrophobicContact CG-CG 4.49Å
117I96.5Very high96.5Very high68 Ų6861.7 Ų61.735%0.34933%0.33SS..EExtended strand (participates in β ladder)trans-133.1128.8178.2-48.4-175000108.8T125 K126I117-T125 CarbonylContact O-C 3.6Å; I117-T125 WeakPolarHBondContact O-CA 3.12Å; I117-T125 WeakPolarHBondContact O-CG2 3.42Å; I117-K126 HydrophobicContact CB-CB 3.89Å; I117-K126 HydrophobicContact CB-CG 4.17Å; I117-K126 HydrophobicContact CD1-CB 4.4Å; I117-K126 HydrophobicContact CD1-CD 3.75Å; I117-K126 HydrophobicContact CD1-CG 4.26Å; I117-K126 HydrophobicContact CG1-CB 4.04Å; I117-K126 HydrophobicContact CG1-CD 4.32Å; I117-K126 HydrophobicContact CG1-CG 4.37Å; I117-K126 PolarHBondContact N-O 2.03Å; I117-K126 VanDerWaalsContact N-O 3.11Å; I117-K126 PolarHBondContact O-N 2.81Å
118N97.8Very high96.5Very high120 Ų12065.7 Ų65.764%0.64234%0.342SS*.  trans-65150.2176.8-71.3-38.3000111.6V115V115-N118 WeakPolarHBondContact CG1-OD1 3.37Å
119C98.1Very high96.5Very high11 Ų1162.1 Ų62.17%0.07432%0.323CS..  trans-64137.3171.8-160.20000110.7C104 Q123 T125C104-C119 HydrophobicContact CB-CB 3.55Å; C104-C119 WeakPolarHBondContact CB-SG 3.08Å; C104-C119 WeakPolarHBondContact SG-CB 3.39Å; C104-C119 CovalentContact SG-SG 2.01Å; C104-C119 PolarHBondContact SG-SG 2.79Å; C119-Q123 WeakPolarHBondContact CA-O 3.42Å; C119-Q123 PolarHBondContact SG-O 2.86Å; C119-T125 WeakPolarHBondContact CB-OG1 3Å
120T98.3Very high96.6Very high49 Ų4957.5 Ų57.530%0.30130%0.301SS..BIsolated β-bridgetrans-121.6169.416973.60000109.7E87 Y91 T122 Q123E87-T120 WeakPolarHBondContact OE1-CA 3.43Å; Y91-T120 WeakPolarHBondContact CB-O 3.01Å; T120-T122 PolarHBondContact O-N 3.11Å; T120-T122 PolarHBondContact OG1-N 3.4Å; T120-Q123 PolarHBondContact N-O 2.74Å; T120-Q123 PolarHBondContact O-N 3.18Å; T120-Q123 VanDerWaalsContact O-N 3.17Å; T120-Q123 WeakPolarHBondContact OG1-CB 2.98Å; T120-Q123 PolarHBondContact OG1-N 2.94Å
121R98.4Very high96.7Very high101 Ų10158.2 Ų58.238%0.38129%0.293SS..THydrogen-bonded Turntrans-52.7-30.8175.2-72.6173.1-175.4117.7-11.1113.6G66 C85 E87 Y91 T92G66-R121 VanDerWaalsContact CA-O 3.26Å; G66-R121 WeakPolarHBondContact CA-O 3.31Å; C85-R121 HydrophobicContact CB-CG 4.22Å; C85-R121 PolarHBondContact O-NE 2.79Å; E87-R121 PolarHBondContact OE1-N 2.73Å; E87-R121 WeakPolarHBondContact OE2-CD 3.49Å; E87-R121 VanDerWaalsContact OE2-CG 3.26Å; E87-R121 WeakPolarHBondContact OE2-CG 3.49Å; E87-R121 IonicContact OE2-CZ 2.62Å; E87-R121 IonicContact OE2-NE 2.73Å; E87-R121 PolarHBondContact OE2-NE 2.72Å; E87-R121 IonicContact OE2-NH1 3.33Å; E87-R121 PolarHBondContact OE2-NH1 3.3Å; Y91-R121 CarbonylContact C-O 3.59Å; Y91-R121 WeakPolarHBondContact CA-O 3.04Å; Y91-R121 WeakPolarHBondContact CB-O 3.38Å; T92-R121 PolarHBondContact N-O 2.74Å
122T98.3Very high96.6Very high75 Ų7559.7 Ų59.746%0.4630%0.304SS..THydrogen-bonded Turntrans-106.9-2.8-176.358.20000113.8P65 T92 D93 T120P65-T122 HydrophobicContact CB-CG2 4.07Å; T92-T122 WeakPolarHBondContact O-CA 3.05Å; D93-T122 WeakPolarHBondContact CA-O 3.37Å; T120-T122 PolarHBondContact O-N 3.11Å; T120-T122 PolarHBondContact OG1-N 3.4Å
123Q97.8Very high96.7Very high71 Ų7162.5 Ų62.533%0.33232%0.316SS..BIsolated β-bridgetrans-142.2128-173.8-170-179.8113.800111.2C119 T120C119-Q123 WeakPolarHBondContact CA-O 3.42Å; C119-Q123 PolarHBondContact SG-O 2.86Å; T120-Q123 PolarHBondContact N-O 2.74Å; T120-Q123 PolarHBondContact O-N 3.18Å; T120-Q123 VanDerWaalsContact O-N 3.17Å; T120-Q123 WeakPolarHBondContact OG1-CB 2.98Å; T120-Q123 PolarHBondContact OG1-N 2.94Å
124N97.9Very high96.7Very high39 Ų3962.7 Ų62.721%0.20932%0.317CS..PPolyproline II helixtrans-64.2153.4170.7-156.7-3000111.2Y91 C104 R105 K126Y91-N124 HydrophobicContact CD1-CB 4.05Å; Y91-N124 HydrophobicContact CD2-CB 4.1Å; Y91-N124 HydrophobicContact CE1-CB 3.59Å; Y91-N124 WeakPolarHBondContact CE1-OD1 3.46Å; Y91-N124 HydrophobicContact CE2-CB 3.66Å; Y91-N124 HydrophobicContact CG-CB 4.29Å; Y91-N124 VanDerWaalsContact CZ-CG 3.46Å; Y91-N124 PolarHBondContact OH-ND2 2.85Å; C104-N124 WeakPolarHBondContact CA-OD1 3.46Å; R105-N124 PolarHBondContact N-OD1 3.48Å; N124-K126 PolarHBondContact O-N 3.42Å
125T96.7Very high96.7Very high12 Ų1261.1 Ų61.17%0.07431%0.311CS..PPolyproline II helixtrans-47.3137.3168.9-41.70000110.4R105 V115 I117 C119R105-T125 PolarHBondContact NE-O 2.82Å; R105-T125 PolarHBondContact NH2-O 3.13Å; R105-T125 VanDerWaalsContact O-CB 3.23Å; R105-T125 WeakPolarHBondContact O-CB 3.49Å; R105-T125 PolarHBondContact O-OG1 3.4Å; V115-T125 HydrophobicContact CG1-CG2 3.96Å; V115-T125 HydrophobicContact CG2-CG2 4.22Å; I117-T125 CarbonylContact O-C 3.6Å; I117-T125 WeakPolarHBondContact O-CA 3.12Å; I117-T125 WeakPolarHBondContact O-CG2 3.42Å; C119-T125 WeakPolarHBondContact CB-OG1 3Å
126K95.3Very high96.5Very high91 Ų9163.6 Ų63.640%0.39632%0.322SS..EExtended strand (participates in β ladder)trans-101.4124.9165.4-59.8-161.8-166.8172.40110.1E116 I117 N124E116-K126 HydrophobicContact CB-CB 4.47Å; E116-K126 WeakPolarHBondContact CB-O 2.9Å; E116-K126 PolarHBondContact N-O 2.82Å; I117-K126 HydrophobicContact CB-CB 3.89Å; I117-K126 HydrophobicContact CB-CG 4.17Å; I117-K126 HydrophobicContact CD1-CB 4.4Å; I117-K126 HydrophobicContact CD1-CD 3.75Å; I117-K126 HydrophobicContact CD1-CG 4.26Å; I117-K126 HydrophobicContact CG1-CB 4.04Å; I117-K126 HydrophobicContact CG1-CD 4.32Å; I117-K126 HydrophobicContact CG1-CG 4.37Å; I117-K126 PolarHBondContact N-O 2.03Å; I117-K126 VanDerWaalsContact N-O 3.11Å; I117-K126 PolarHBondContact O-N 2.81Å; N124-K126 PolarHBondContact O-N 3.42Å
127C95.6Very high96.3Very high20 Ų2061.7 Ų61.714%0.13532%0.32CS..EExtended strand (participates in β ladder)trans-102.6145.4175.3-52.50000109.6C107 L113 E114C107-C127 WeakPolarHBondContact CA-SG 3.16Å; C107-C127 HydrophobicContact CB-CB 3.77Å; C107-C127 WeakPolarHBondContact CB-SG 3.5Å; C107-C127 WeakPolarHBondContact SG-CA 3.49Å; C107-C127 WeakPolarHBondContact SG-CB 3.14Å; C107-C127 CovalentContact SG-SG 2.03Å; C107-C127 PolarHBondContact SG-SG 3.07Å; L113-C127 HydrophobicContact CD2-CB 4.22Å; E114-C127 VanDerWaalsContact O-CA 3.31Å; E114-C127 WeakPolarHBondContact O-CA 3.46Å
128R94.8Very high95.7Very high102 Ų10265.4 Ų65.439%0.38535%0.346SS..EExtended strand (participates in β ladder)trans-128.1164.9169.167.4179.2-174.1-165.82.6110L113 E114 E116L113-R128 CarbonylContact C-O 3.56Å; L113-R128 WeakPolarHBondContact CA-O 3.02Å; E114-R128 HydrophobicContact CG-CG 3.74Å; E114-R128 PolarHBondContact N-O 2.92Å; E114-R128 PolarHBondContact O-N 2.84Å; E114-R128 IonicContact OE1-CZ 3.98Å; E114-R128 IonicContact OE1-NE 2.82Å; E114-R128 PolarHBondContact OE1-NE 3.42Å; E114-R128 IonicContact OE1-NH2 3.04Å; E114-R128 PolarHBondContact OE1-NH2 2.04Å; E116-R128 HydrophobicContact CB-CB 4.12Å; E116-R128 HydrophobicContact CB-CG 3.91Å; E116-R128 HydrophobicContact CG-CG 4.49Å
129C96.6Very high95.2Very high7 Ų764.8 Ų64.85%0.04735%0.346CS..EExtended strand (participates in β ladder)trans-66.1144.6171.1-60.70000110.7G112 F133 C143 L159G112-C129 WeakPolarHBondContact O-CA 3.38Å; C129-F133 HydrophobicContact CB-CB 4.13Å; C129-C143 WeakPolarHBondContact CA-SG 3.44Å; C129-C143 HydrophobicContact CB-CB 3.69Å; C129-C143 WeakPolarHBondContact CB-SG 3.14Å; C129-C143 WeakPolarHBondContact SG-CB 3.13Å; C129-C143 CovalentContact SG-SG 2.04Å; C129-C143 PolarHBondContact SG-SG 3.42Å; C129-L159 HydrophobicContact CB-CB 4.44Å; C129-L159 HydrophobicContact CB-CD2 4.17Å; C129-L159 WeakPolarHBondContact O-CD2 3.39Å; C129-L159 PolarHBondContact SG-O 3.35Å; C129-L159 VanDerWaalsContact SG-O 3.4Å
130K96.4Very high94.8Very high42 Ų4265.8 Ų65.818%0.18335%0.353CS..PPolyproline II helixtrans-63.2160.5170.3-79.7-179.4170.4-176.30111.1E109 G112 L113 E114 N132 F133E109-K130 VanDerWaalsContact CD-NZ 3.35Å; E109-K130 VanDerWaalsContact CG-NZ 3.34Å; E109-K130 PolarHBondContact O-NZ 3.11Å; E109-K130 IonicContact OE2-NZ 2.74Å; E109-K130 PolarHBondContact OE2-NZ 3.24Å; G112-K130 WeakPolarHBondContact O-CB 2.94Å; G112-K130 PolarHBondContact O-N 2.02Å; L113-K130 VanDerWaalsContact O-CE 3.28Å; L113-K130 WeakPolarHBondContact O-CE 3.4Å; E114-K130 HydrophobicContact CB-CG 3.88Å; E114-K130 HydrophobicContact CG-CG 4.06Å; K130-N132 PolarHBondContact O-N 2.8Å; K130-F133 HydrophobicContact CB-CD2 4Å; K130-F133 WeakPolarHBondContact O-CB 3.23Å; K130-F133 PolarHBondContact O-N 3.35Å
131P95.3Very high94.5Very high83 Ų8371 Ų7154%0.53937%0.374SS..THydrogen-bonded Turntrans-53.1135.8170.5-25.234000111.7E114 F133E114-P131 WeakPolarHBondContact OE2-CD 3.4Å; P131-F133 VanDerWaalsContact C-N 3.29Å; P131-F133 WeakPolarHBondContact O-CD2 3.21Å
132N94.4Very high94.3Very high127 Ų12770.9 Ų70.968%0.67938%0.378SS*.THydrogen-bonded Turntrans68.319.1-174.9-45.1-68.5000115.4K130 C146K130-N132 PolarHBondContact O-N 2.8Å; N132-C146 PolarHBondContact O-N 3.36Å; N132-C146 PolarHBondContact O-SG 2.84Å
133F97.1Very high94.2Very high62 Ų6267.7 Ų67.727%0.27236%0.358SS..EExtended strand (participates in β ladder)trans-122.1155.2169-71.2-107.1000110.6C129 K130 P131 C143 D144 P145C129-F133 HydrophobicContact CB-CB 4.13Å; K130-F133 HydrophobicContact CB-CD2 4Å; K130-F133 WeakPolarHBondContact O-CB 3.23Å; K130-F133 PolarHBondContact O-N 3.35Å; P131-F133 VanDerWaalsContact C-N 3.29Å; P131-F133 WeakPolarHBondContact O-CD2 3.21Å; F133-C143 HydrophobicContact CB-CB 3.79Å; F133-C143 HydrophobicContact CD1-CB 4.33Å; F133-C143 WeakPolarHBondContact CD1-O 3.1Å; F133-D144 CarbonylContact C-O 3.43Å; F133-D144 WeakPolarHBondContact CA-O 3.46Å; F133-D144 WeakPolarHBondContact CB-O 3.27Å; F133-D144 VanDerWaalsContact CD1-C 3.49Å; F133-P145 HydrophobicContact CD1-CB 4.3Å; F133-P145 HydrophobicContact CE1-CB 4.05Å; F133-P145 HydrophobicContact CZ-CB 4.35Å
134F96.6Very high94.2Very high15 Ų1567.9 Ų67.97%0.06636%0.362CS..EExtended strand (participates in β ladder)trans-140.3159.8179.278-82.9000111.8C143 D144 T158 L159 N162F134-C143 CarbonylContact O-C 3.47Å; F134-C143 WeakPolarHBondContact O-CA 3.26Å; F134-D144 HydrophobicContact CD1-CB 4.3Å; F134-D144 VanDerWaalsContact CD1-O 3.3Å; F134-D144 WeakPolarHBondContact CD1-O 3.26Å; F134-D144 HydrophobicContact CE1-CB 3.72Å; F134-D144 HydrophobicContact CZ-CB 3.87Å; F134-D144 PolarHBondContact N-O 3.29Å; F134-D144 PolarHBondContact O-N 2.01Å; F134-T158 WeakPolarHBondContact CB-O 3.07Å; F134-L159 WeakPolarHBondContact CA-O 3.38Å; F134-N162 HydrophobicContact CD1-CB 3.89Å; F134-N162 HydrophobicContact CD2-CB 3.84Å; F134-N162 VanDerWaalsContact CD2-N 3.3Å; F134-N162 HydrophobicContact CE1-CB 3.59Å; F134-N162 WeakPolarHBondContact CE1-OD1 3.38Å; F134-N162 HydrophobicContact CE2-CB 3.57Å; F134-N162 HydrophobicContact CG-CB 4.02Å; F134-N162 HydrophobicContact CZ-CB 3.44Å; F134-N162 VanDerWaalsContact CZ-CB 3.44Å
135C96.4Very high94.1Very high14 Ų1470 Ų7010%0.09538%0.378CS..  trans-147.9129.2167.8165.30000110.2S137 C140 L159 T160C135-S137 VanDerWaalsContact C-N 3.34Å; C135-C140 HydrophobicContact CB-CB 3.68Å; C135-C140 WeakPolarHBondContact CB-SG 3.44Å; C135-C140 WeakPolarHBondContact SG-CB 3.49Å; C135-C140 CovalentContact SG-SG 2.02Å; C135-C140 PolarHBondContact SG-SG 3.32Å; C135-L159 PolarHBondContact N-O 2.9Å; C135-L159 VanDerWaalsContact N-O 3.11Å; C135-T160 CarbonylContact O-C 3.58Å; C135-T160 WeakPolarHBondContact O-CA 3.46Å
136N93.3Very high94.1Very high119 Ų11970.6 Ų70.664%0.63638%0.382SS*.  trans-82.7-11.3-175.4-61.8-30.8000113.8T160N136-T160 PolarHBondContact OD1-O 3.09Å
137S90.7Very high94.1Very high67 Ų6769.5 Ų69.547%0.46938%0.383SS..SBendtrans-83.7158-178.1-176.70000111.5C135 V139 C140C135-S137 VanDerWaalsContact C-N 3.34Å; S137-V139 VanDerWaalsContact C-N 3.29Å; S137-V139 VanDerWaalsContact CB-O 3.27Å; S137-V139 WeakPolarHBondContact CB-O 3.49Å; S137-V139 PolarHBondContact OG-N 3.25Å; S137-V139 PolarHBondContact OG-O 3.13Å; S137-C140 PolarHBondContact O-SG 3.05Å; S137-C140 VanDerWaalsContact O-SG 3.35Å
138T85.1Confident94.1Very high146 Ų14678.1 Ų78.190%0.89642%0.418SS*.SBendtrans-71.1-28.7169.953.70000112.1
139V86.4Confident94Very high107 Ų10774.7 Ų74.765%0.64841%0.41SS*.SBendtrans-122.8118.5175.2-176.70000108S137S137-V139 VanDerWaalsContact C-N 3.29Å; S137-V139 VanDerWaalsContact CB-O 3.27Å; S137-V139 WeakPolarHBondContact CB-O 3.49Å; S137-V139 PolarHBondContact OG-N 3.25Å; S137-V139 PolarHBondContact OG-O 3.13Å
140C89.8Confident93.8Very high32 Ų3282.8 Ų82.822%0.21645%0.447CS..  trans-112.6116.4-175.6-570000109.6C135 S137C135-C140 HydrophobicContact CB-CB 3.68Å; C135-C140 WeakPolarHBondContact CB-SG 3.44Å; C135-C140 WeakPolarHBondContact SG-CB 3.49Å; C135-C140 CovalentContact SG-SG 2.02Å; C135-C140 PolarHBondContact SG-SG 3.32Å; S137-C140 PolarHBondContact O-SG 3.05Å; S137-C140 VanDerWaalsContact O-SG 3.35Å
141E91.1Very high93.5Very high159 Ų15985.1 Ų85.174%0.74346%0.458SS*.SBendtrans-80.9-29.6170.8-64.2-178.1168.900111.5L113L113-E141 WeakPolarHBondContact CD1-O 3.49Å
142H94.7Very high93.3Very high99 Ų9982.9 Ų82.946%0.45845%0.45SS..SBendtrans-144.9162.7172.960.7-79.3000109.9H111 D144H111-H142 HydrophobicContact CB-CB 3.88Å; H111-H142 WeakPolarHBondContact O-CA 3.37Å; H142-D144 IonicContact CD2-OD1 3.17Å
143C96.8Very high93.3Very high7 Ų780.7 Ų80.75%0.04744%0.437CS..  trans-118.2143.4171.6-580000110H111 L113 C129 F133 F134H111-C143 PolarHBondContact O-N 2.84Å; L113-C143 VanDerWaalsContact CD2-SG 3.52Å; C129-C143 WeakPolarHBondContact CA-SG 3.44Å; C129-C143 HydrophobicContact CB-CB 3.69Å; C129-C143 WeakPolarHBondContact CB-SG 3.14Å; C129-C143 WeakPolarHBondContact SG-CB 3.13Å; C129-C143 CovalentContact SG-SG 2.04Å; C129-C143 PolarHBondContact SG-SG 3.42Å; F133-C143 HydrophobicContact CB-CB 3.79Å; F133-C143 HydrophobicContact CD1-CB 4.33Å; F133-C143 WeakPolarHBondContact CD1-O 3.1Å; F134-C143 CarbonylContact O-C 3.47Å; F134-C143 WeakPolarHBondContact O-CA 3.26Å
144D96.5Very high93.1Very high76 Ų7683.3 Ų83.341%0.40645%0.453SS..EExtended strand (participates in β ladder)trans-94.2145.8178.6-68-45.9000110.7F133 F134 H142F133-D144 CarbonylContact C-O 3.43Å; F133-D144 WeakPolarHBondContact CA-O 3.46Å; F133-D144 WeakPolarHBondContact CB-O 3.27Å; F133-D144 VanDerWaalsContact CD1-C 3.49Å; F134-D144 HydrophobicContact CD1-CB 4.3Å; F134-D144 VanDerWaalsContact CD1-O 3.3Å; F134-D144 WeakPolarHBondContact CD1-O 3.26Å; F134-D144 HydrophobicContact CE1-CB 3.72Å; F134-D144 HydrophobicContact CZ-CB 3.87Å; F134-D144 PolarHBondContact N-O 3.29Å; F134-D144 PolarHBondContact O-N 2.01Å; H142-D144 IonicContact CD2-OD1 3.17Å
145P96.6Very high93Very high84 Ų8487.2 Ų87.255%0.54547%0.47SS..EExtended strand (participates in β ladder)trans-65.4139.7174.827.1-33.3000111F133F133-P145 HydrophobicContact CD1-CB 4.3Å; F133-P145 HydrophobicContact CE1-CB 4.05Å; F133-P145 HydrophobicContact CZ-CB 4.35Å
146C96.8Very high93Very high24 Ų2492.6 Ų92.616%0.16249%0.494CS..PPolyproline II helixtrans-60.1137.6177-63.80000111.5N132 C157N132-C146 PolarHBondContact O-N 3.36Å; N132-C146 PolarHBondContact O-SG 2.84Å; C146-C157 HydrophobicContact CB-CB 3.64Å; C146-C157 WeakPolarHBondContact CB-SG 3.34Å; C146-C157 WeakPolarHBondContact SG-CB 3.49Å; C146-C157 CovalentContact SG-SG 2.02Å; C146-C157 PolarHBondContact SG-SG 2.86Å
147T95.5Very high93.1Very high67 Ų6788.5 Ų88.541%0.41147%0.474SS..PPolyproline II helixtrans-68.5135174.5-57.60000110.8N162 T163T147-N162 PolarHBondContact N-OD1 2.72Å; T147-N162 PolarHBondContact OG1-ND2 2.82Å; T147-N162 PolarHBondContact OG1-OD1 2.71Å; T147-T163 VanDerWaalsContact O-CB 3.24Å; T147-T163 WeakPolarHBondContact O-CB 3.46Å; T147-T163 PolarHBondContact O-OG1 3.2Å
148K94.7Very high93.3Very high201 Ų20188.2 Ų88.287%0.87447%0.47SS*.PPolyproline II helixtrans-92.8131171.7-63.4-179.6-177.9177.80109.1
149C93.3Very high93.8Very high31 Ų3185 Ų8521%0.20945%0.446CS..PPolyproline II helixtrans-99.9134.1-177.6-54.50000111.1G152 I153 T163 C165C149-G152 WeakPolarHBondContact CB-O 3.46Å; C149-I153 HydrophobicContact CB-CG1 4.07Å; C149-T163 VanDerWaalsContact SG-CG2 3.51Å; C149-C165 WeakPolarHBondContact CA-SG 3.36Å; C149-C165 HydrophobicContact CB-CB 3.66Å; C149-C165 WeakPolarHBondContact CB-SG 3.47Å; C149-C165 WeakPolarHBondContact SG-CA 3.2Å; C149-C165 WeakPolarHBondContact SG-CB 3.47Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 2.83Å
150E91.6Very high94.1Very high177 Ų17784.6 Ų84.683%0.82744%0.444SS*.SBendtrans-81.2-38.8175.3-65-179.7165.700112.1
151H91.3Very high94.4Very high90 Ų9084.2 Ų84.242%0.41744%0.442SS..SBendtrans-98.819.6-172-60.996.9000114.4E168H151-E168 VanDerWaalsContact CE1-CG 3.41Å; H151-E168 WeakPolarHBondContact CE1-CG 3.25Å; H151-E168 IonicContact CE1-OE1 3.84Å; H151-E168 PolarHBondContact CE1-OE1 3.4Å; H151-E168 WeakPolarHBondContact ND1-CG 3.49Å; H151-E168 IonicContact ND1-OE1 2.74Å; H151-E168 IonicContact NE2-OE1 2.76Å; H151-E168 PolarHBondContact NE2-OE1 3.04Å
152G90.5Very high94.6Very high36 Ų3678.5 Ų78.537%0.37142%0.417SS..  trans92.9165.3-176.400000114.1C149 K166C149-G152 WeakPolarHBondContact CB-O 3.46Å; G152-K166 PolarHBondContact O-N 2.62Å
153I93.9Very high94.7Very high81 Ų8174.4 Ų74.442%0.41540%0.399SS..EExtended strand (participates in β ladder)trans-105.9128.9-171.8-60.6172.3000109.2C149 K155 E156 T163C149-I153 HydrophobicContact CB-CG1 4.07Å; I153-K155 VanDerWaalsContact CG2-O 3.31Å; I153-K155 WeakPolarHBondContact CG2-O 3.06Å; I153-E156 HydrophobicContact CG2-CG 4.43Å; I153-T163 HydrophobicContact CD1-CG2 4.41Å; I153-T163 HydrophobicContact CG1-CG2 4.13Å; I153-T163 HydrophobicContact CG2-CG2 3.76Å
154I94.3Very high94.6Very high117 Ų11780.1 Ų80.160%0.642%0.423SS*.EExtended strand (participates in β ladder)trans-87.4-42.9170.5-62.8177.1000109.9K164 C165 K166I154-K164 HydrophobicContact CB-CB 4.4Å; I154-K164 WeakPolarHBondContact CB-O 3.35Å; I154-K164 PolarHBondContact N-O 3.33Å; I154-C165 WeakPolarHBondContact CD1-O 3.02Å; I154-K166 HydrophobicContact CD1-CB 4.34Å; I154-K166 HydrophobicContact CG1-CB 4.1Å
155K94.7Very high94.5Very high97 Ų9778.7 Ų78.742%0.42242%0.419SS..EExtended strand (participates in β ladder)trans-138127178.1-169.1-171.7176.5-164.80109.1I153 T163 K164I153-K155 VanDerWaalsContact CG2-O 3.31Å; I153-K155 WeakPolarHBondContact CG2-O 3.06Å; K155-T163 WeakPolarHBondContact O-CA 3.46Å; K155-T163 WeakPolarHBondContact O-CG2 3.26Å; K155-K164 HydrophobicContact CB-CB 3.93Å; K155-K164 HydrophobicContact CB-CD 4.44Å; K155-K164 HydrophobicContact CB-CG 4.21Å; K155-K164 PolarHBondContact N-O 2.86Å; K155-K164 PolarHBondContact O-N 3.42Å
156E95.3Very high94.3Very high127 Ų12781 Ų8159%0.59342%0.42SS*.  trans-62.9153.4176.7-66-62.7161.200112.1I153I153-E156 HydrophobicContact CG2-CG 4.43Å
157C95.9Very high93.8Very high34 Ų3488.1 Ų88.123%0.2345%0.451CS..  trans-68.5141.3172.9-158.90000111C146 S161 T163C146-C157 HydrophobicContact CB-CB 3.64Å; C146-C157 WeakPolarHBondContact CB-SG 3.34Å; C146-C157 WeakPolarHBondContact SG-CB 3.49Å; C146-C157 CovalentContact SG-SG 2.02Å; C146-C157 PolarHBondContact SG-SG 2.86Å; C157-S161 PolarHBondContact SG-O 3.39Å; C157-T163 WeakPolarHBondContact CB-OG1 3.09Å
158T95.4Very high92.9Very high61 Ų6191.2 Ų91.237%0.37446%0.461SS..BIsolated β-bridgetrans-126.1167169.770.20000109.5F134 T160 S161F134-T158 WeakPolarHBondContact CB-O 3.07Å; T158-T160 PolarHBondContact O-N 3.28Å; T158-T160 PolarHBondContact OG1-N 3.33Å; T158-T160 PolarHBondContact OG1-OG1 3.14Å; T158-S161 PolarHBondContact N-O 3.07Å; T158-S161 PolarHBondContact O-N 3.25Å; T158-S161 VanDerWaalsContact O-O 3.05Å; T158-S161 WeakPolarHBondContact OG1-CB 3.49Å; T158-S161 PolarHBondContact OG1-N 3.06Å; T158-S161 VanDerWaalsContact OG1-N 3.13Å
159L94.3Very high91.5Very high77 Ų7785 Ų8540%0.40345%0.453SS..THydrogen-bonded Turntrans-56.8-18.3175.7-57.3-179.3000113.2C129 F134 C135C129-L159 HydrophobicContact CB-CB 4.44Å; C129-L159 HydrophobicContact CB-CD2 4.17Å; C129-L159 WeakPolarHBondContact O-CD2 3.39Å; C129-L159 PolarHBondContact SG-O 3.35Å; C129-L159 VanDerWaalsContact SG-O 3.4Å; F134-L159 WeakPolarHBondContact CA-O 3.38Å; C135-L159 PolarHBondContact N-O 2.9Å; C135-L159 VanDerWaalsContact N-O 3.11Å
160T94.1Very high90Very high99 Ų9988.2 Ų88.261%0.60748%0.476SS*.THydrogen-bonded Turntrans-118.61.9-176.457.20000114.6C135 N136 T158C135-T160 CarbonylContact O-C 3.58Å; C135-T160 WeakPolarHBondContact O-CA 3.46Å; N136-T160 PolarHBondContact OD1-O 3.09Å; T158-T160 PolarHBondContact O-N 3.28Å; T158-T160 PolarHBondContact OG1-N 3.33Å; T158-T160 PolarHBondContact OG1-OG1 3.14Å
161S94.7Very high88.6Confident25 Ų2590.8 Ų90.818%0.17548%0.478CS..BIsolated β-bridgetrans-156.9131.8-174.3-167.60000111.2C157 T158C157-S161 PolarHBondContact SG-O 3.39Å; T158-S161 PolarHBondContact N-O 3.07Å; T158-S161 PolarHBondContact O-N 3.25Å; T158-S161 VanDerWaalsContact O-O 3.05Å; T158-S161 WeakPolarHBondContact OG1-CB 3.49Å; T158-S161 PolarHBondContact OG1-N 3.06Å; T158-S161 VanDerWaalsContact OG1-N 3.13Å
162N96.2Very high87.2Confident38 Ų3890.8 Ų90.820%0.20349%0.489CS..PPolyproline II helixtrans-64.5158.3176-159.77000112.7F134 T147F134-N162 HydrophobicContact CD1-CB 3.89Å; F134-N162 HydrophobicContact CD2-CB 3.84Å; F134-N162 VanDerWaalsContact CD2-N 3.3Å; F134-N162 HydrophobicContact CE1-CB 3.59Å; F134-N162 WeakPolarHBondContact CE1-OD1 3.38Å; F134-N162 HydrophobicContact CE2-CB 3.57Å; F134-N162 HydrophobicContact CG-CB 4.02Å; F134-N162 HydrophobicContact CZ-CB 3.44Å; F134-N162 VanDerWaalsContact CZ-CB 3.44Å; T147-N162 PolarHBondContact N-OD1 2.72Å; T147-N162 PolarHBondContact OG1-ND2 2.82Å; T147-N162 PolarHBondContact OG1-OD1 2.71Å
163T95.9Very high85.9Confident14 Ų1495.7 Ų95.79%0.08651%0.506CS..PPolyproline II helixtrans-54.6135.9164.6-40.10000110.6T147 C149 I153 K155 C157T147-T163 VanDerWaalsContact O-CB 3.24Å; T147-T163 WeakPolarHBondContact O-CB 3.46Å; T147-T163 PolarHBondContact O-OG1 3.2Å; C149-T163 VanDerWaalsContact SG-CG2 3.51Å; I153-T163 HydrophobicContact CD1-CG2 4.41Å; I153-T163 HydrophobicContact CG1-CG2 4.13Å; I153-T163 HydrophobicContact CG2-CG2 3.76Å; K155-T163 WeakPolarHBondContact O-CA 3.46Å; K155-T163 WeakPolarHBondContact O-CG2 3.26Å; C157-T163 WeakPolarHBondContact CB-OG1 3.09Å
164K94.8Very high84.4Confident127 Ų12797.4 Ų97.455%0.55252%0.516SS*.EExtended strand (participates in β ladder)trans-102.2118.9166.3-65-169.4174.8-171.80109.8I154 K155I154-K164 HydrophobicContact CB-CB 4.4Å; I154-K164 WeakPolarHBondContact CB-O 3.35Å; I154-K164 PolarHBondContact N-O 3.33Å; K155-K164 HydrophobicContact CB-CB 3.93Å; K155-K164 HydrophobicContact CB-CD 4.44Å; K155-K164 HydrophobicContact CB-CG 4.21Å; K155-K164 PolarHBondContact N-O 2.86Å; K155-K164 PolarHBondContact O-N 3.42Å
165C94.8Very high83.1Confident46 Ų4694.2 Ų94.231%0.31151%0.512SS..EExtended strand (participates in β ladder)trans-86.5150.8-179.8-58.10000112.2C149 I154 E167C149-C165 WeakPolarHBondContact CA-SG 3.36Å; C149-C165 HydrophobicContact CB-CB 3.66Å; C149-C165 WeakPolarHBondContact CB-SG 3.47Å; C149-C165 WeakPolarHBondContact SG-CA 3.2Å; C149-C165 WeakPolarHBondContact SG-CB 3.47Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 2.83Å; I154-C165 WeakPolarHBondContact CD1-O 3.02Å; C165-E167 PolarHBondContact O-N 2.78Å
166K92.7Very high82Confident132 Ų13298 Ų9857%0.57452%0.523SS*.PPolyproline II helixtrans-69.1129168-168.3178.1179.7-179.40109.4G152 I154G152-K166 PolarHBondContact O-N 2.62Å; I154-K166 HydrophobicContact CD1-CB 4.34Å; I154-K166 HydrophobicContact CG1-CB 4.1Å
167E86.1Confident81.1Confident173 Ų17395.7 Ų95.781%0.80852%0.515SS*.PPolyproline II helixtrans-67.5140.4173.3-66.7-176.2174.500109.8C165 G169C165-E167 PolarHBondContact O-N 2.78Å; E167-G169 PolarHBondContact O-N 2.85Å
168E76.1Confident80Confident133 Ų13397.7 Ų97.762%0.62153%0.528SS*.PPolyproline II helixtrans-60.5122.2165.3-80.8-158.7177.700108.2H151 S170H151-E168 VanDerWaalsContact CE1-CG 3.41Å; H151-E168 WeakPolarHBondContact CE1-CG 3.25Å; H151-E168 IonicContact CE1-OE1 3.84Å; H151-E168 PolarHBondContact CE1-OE1 3.4Å; H151-E168 WeakPolarHBondContact ND1-CG 3.49Å; H151-E168 IonicContact ND1-OE1 2.74Å; H151-E168 IonicContact NE2-OE1 2.76Å; H151-E168 PolarHBondContact NE2-OE1 3.04Å; E168-S170 PolarHBondContact O-N 3.19Å
169G66.1Low79.2Confident69 Ų69101 Ų10171%0.71154%0.543SS*.  trans-61.4103.8165.500000107.4E167 R171E167-G169 PolarHBondContact O-N 2.85Å; G169-R171 PolarHBondContact O-N 3.17Å
170S60.8Low78.5Confident100 Ų100103.1 Ų103.170%0.69955%0.554SS**  trans-51104.9171.8174.10000107.2E168 S172E168-S170 PolarHBondContact O-N 3.19Å; S170-S172 PolarHBondContact O-N 3.17Å
171R62.2Low77.9Confident230 Ų230103.3 Ų103.387%0.86855%0.551SS**  trans-64.786.2165.9-86.5173.162177.1-1.5104.9G169 N173G169-R171 PolarHBondContact O-N 3.17Å; R171-N173 PolarHBondContact O-N 3.18Å
172S62.5Low77.4Confident91 Ų91107.9 Ų107.964%0.63657%0.573SS**  trans-47.8113.6169.6-73.70000106.2S170 L174S170-S172 PolarHBondContact O-N 3.17Å; S172-L174 PolarHBondContact O-N 3.08Å
173N63.5Low76.9Confident138 Ų138108.7 Ų108.774%0.73858%0.58SS**  trans-70.447.1177.4-98.4-68.7000110.2R171 G175 W176R171-N173 PolarHBondContact O-N 3.18Å; N173-G175 PolarHBondContact O-N 2.03Å; N173-G175 VanDerWaalsContact O-N 3.13Å; N173-W176 PolarHBondContact O-N 2.89Å
174L62.2Low76.5Confident118 Ų118112.1 Ų112.162%0.61860%0.597SS**THydrogen-bonded Turntrans-69.6-2.7174.8-14178000111.8S172 W176 L177S172-L174 PolarHBondContact O-N 3.08Å; L174-W176 VanDerWaalsContact C-N 3.31Å; L174-L177 HydrophobicContact CD1-CD1 3.66Å; L174-L177 HydrophobicContact CG-CD1 4.17Å; L174-L177 PolarHBondContact O-N 2.87Å
175G65.9Low76.2Confident50 Ų50110.1 Ų110.152%0.51560%0.597SS.*Hα-helixtrans-66.5-30.1170.100000113.1N173 L177 C178N173-G175 PolarHBondContact O-N 2.03Å; N173-G175 VanDerWaalsContact O-N 3.13Å; G175-L177 VanDerWaalsContact C-N 3.29Å; G175-L177 PolarHBondContact O-N 3.47Å; G175-C178 PolarHBondContact O-N 2.88Å
176W73.4Confident75.9Confident175 Ų175113.3 Ų113.366%0.66361%0.61SS**Hα-helixtrans-71.5-24.4179.488.4-34.4000113N173 L174 C178 L179N173-W176 PolarHBondContact O-N 2.89Å; L174-W176 VanDerWaalsContact C-N 3.31Å; W176-C178 VanDerWaalsContact C-N 3.31Å; W176-L179 PolarHBondContact O-N 3.22Å
177L74.7Confident75.7Confident79 Ų79111.9 Ų111.941%0.41461%0.608SS.*Hα-helixtrans-70.2-33.8178.9-99.3116.6000110.1L174 G175 L180 L181L174-L177 HydrophobicContact CD1-CD1 3.66Å; L174-L177 HydrophobicContact CG-CD1 4.17Å; L174-L177 PolarHBondContact O-N 2.87Å; G175-L177 VanDerWaalsContact C-N 3.29Å; G175-L177 PolarHBondContact O-N 3.47Å; L177-L180 PolarHBondContact O-N 2.83Å; L177-L181 WeakPolarHBondContact O-CG 3.05Å; L177-L181 PolarHBondContact O-N 3.36Å
178C73.9Confident75.9Confident76 Ų76106.9 Ų106.951%0.51459%0.589SS.*Hα-helixtrans-66.8-37.5175.7-62.60000112.2G175 W176 L180 L181 L182G175-C178 PolarHBondContact O-N 2.88Å; W176-C178 VanDerWaalsContact C-N 3.31Å; C178-L180 VanDerWaalsContact C-N 3.27Å; C178-L180 PolarHBondContact O-N 3.02Å; C178-L181 PolarHBondContact O-N 3.48Å; C178-L182 VanDerWaalsContact O-CG 3.25Å; C178-L182 WeakPolarHBondContact O-CG 3.25Å; C178-L182 PolarHBondContact O-N 3.21Å
179L78.5Confident76.7Confident130 Ų130107.3 Ų107.368%0.68159%0.585SS**Hα-helixtrans-62.3-32.2177.6-91.2139.8000113.1W176 P183W176-L179 PolarHBondContact O-N 3.22Å; L179-P183 WeakPolarHBondContact O-CD 3.09Å
180L78.8Confident77.9Confident122 Ų122107.5 Ų107.564%0.63957%0.572SS**Hα-helixtrans-80.4-26.7176.6-66.9174000113.2L177 C178 P183L177-L180 PolarHBondContact O-N 2.83Å; C178-L180 VanDerWaalsContact C-N 3.27Å; C178-L180 PolarHBondContact O-N 3.02Å; L180-P183 WeakPolarHBondContact O-CD 3.03Å
181L81.9Confident79.4Confident104 Ų104109.6 Ų109.655%0.54557%0.569SS.*Hα-helixtrans-87.4-30.1-177.8-66.8175.4000113.7L177 C178 I184 P185L177-L181 WeakPolarHBondContact O-CG 3.05Å; L177-L181 PolarHBondContact O-N 3.36Å; C178-L181 PolarHBondContact O-N 3.48Å; L181-I184 HydrophobicContact CD2-CD1 3.76Å; L181-I184 PolarHBondContact O-N 3.15Å; L181-P185 VanDerWaalsContact O-CD 3.25Å; L181-P185 WeakPolarHBondContact O-CD 3.49Å
182L84.2Confident80.6Confident121 Ų121107.3 Ų107.363%0.63456%0.56SS**THydrogen-bonded Turntrans-58-38.5178-74.4169.4000116C178 P185C178-L182 VanDerWaalsContact O-CG 3.25Å; C178-L182 WeakPolarHBondContact O-CG 3.25Å; C178-L182 PolarHBondContact O-N 3.21Å; L182-P185 WeakPolarHBondContact O-CD 3.25Å; L182-P185 WeakPolarHBondContact O-CG 3.49Å
183P86.5Confident81.8Confident55 Ų55107.4 Ų107.436%0.35755%0.549SS..Hα-helixtrans-76.4-20.3-179.927.7-34.7000113.9L179 L180 L186 I187L179-P183 WeakPolarHBondContact O-CD 3.09Å; L180-P183 WeakPolarHBondContact O-CD 3.03Å; P183-L186 PolarHBondContact O-N 3.26Å; P183-I187 HydrophobicContact CB-CD1 4.31Å; P183-I187 VanDerWaalsContact O-CG1 3.27Å; P183-I187 WeakPolarHBondContact O-CG1 3.5Å; P183-I187 PolarHBondContact O-N 3.21Å
184I87.1Confident82.8Confident86 Ų86105.1 Ų105.144%0.44153%0.534SS..Hα-helixtrans-57.9-50-177.2-56.2178.7000112.9L181 L186 I187 V188L181-I184 HydrophobicContact CD2-CD1 3.76Å; L181-I184 PolarHBondContact O-N 3.15Å; I184-L186 VanDerWaalsContact C-N 3.33Å; I184-L186 PolarHBondContact O-N 2.89Å; I184-I187 PolarHBondContact O-N 2.82Å; I184-V188 HydrophobicContact CG2-CG2 4.4Å; I184-V188 WeakPolarHBondContact O-CG2 3.43Å; I184-V188 PolarHBondContact O-N 3.15Å
185P87.6Confident83.9Confident85 Ų85104 Ų10455%0.55253%0.531SS*.Hα-helixtrans-63.8-34.5179.121.1-32.1000113.3L181 L182 W189L181-P185 VanDerWaalsContact O-CD 3.25Å; L181-P185 WeakPolarHBondContact O-CD 3.49Å; L182-P185 WeakPolarHBondContact O-CD 3.25Å; L182-P185 WeakPolarHBondContact O-CG 3.49Å; P185-W189 VanDerWaalsContact O-CB 3.27Å; P185-W189 WeakPolarHBondContact O-CB 3.04Å; P185-W189 PolarHBondContact O-N 3.21Å
186L89.3Confident84.6Confident112 Ų112106 Ų10659%0.58653%0.528SS*.Hα-helixtrans-65.3-44.8174.4-92.3154.6000111.4P183 I184 W189 V190P183-L186 PolarHBondContact O-N 3.26Å; I184-L186 VanDerWaalsContact C-N 3.33Å; I184-L186 PolarHBondContact O-N 2.89Å; L186-W189 PolarHBondContact O-N 3.1Å; L186-V190 WeakPolarHBondContact O-CG2 3.35Å; L186-V190 PolarHBondContact O-N 2.75Å
187I88.6Confident84.9Confident102 Ų102103.3 Ų103.352%0.52352%0.52SS..Hα-helixtrans-62.5-45.5177.1-66164.1000110.5P183 I184 W189 V190 K191P183-I187 HydrophobicContact CB-CD1 4.31Å; P183-I187 VanDerWaalsContact O-CG1 3.27Å; P183-I187 WeakPolarHBondContact O-CG1 3.5Å; P183-I187 PolarHBondContact O-N 3.21Å; I184-I187 PolarHBondContact O-N 2.82Å; I187-W189 VanDerWaalsContact C-N 3.33Å; I187-W189 PolarHBondContact O-N 3.48Å; I187-V190 PolarHBondContact O-N 2.88Å; I187-K191 WeakPolarHBondContact O-CB 3.21Å; I187-K191 VanDerWaalsContact O-CG 3.31Å; I187-K191 WeakPolarHBondContact O-CG 3.28Å; I187-K191 PolarHBondContact O-N 3.13Å
188V90.6Very high84.9Confident68 Ų68103.1 Ų103.141%0.41252%0.523SS..Hα-helixtrans-61.2-41.9176.1172.60000111.1I184 K191 R192I184-V188 HydrophobicContact CG2-CG2 4.4Å; I184-V188 WeakPolarHBondContact O-CG2 3.43Å; I184-V188 PolarHBondContact O-N 3.15Å; V188-K191 PolarHBondContact O-N 3.49Å; V188-R192 HydrophobicContact CG1-CG 4.5Å; V188-R192 WeakPolarHBondContact O-CB 3.42Å; V188-R192 WeakPolarHBondContact O-CG 3.4Å; V188-R192 PolarHBondContact O-N 3.14Å
189W92Very high84.7Confident143 Ų143102.7 Ų102.754%0.54252%0.52SS..Hα-helixtrans-65.2-44.6178.5-177.680.8000112.8P185 L186 I187 R192 K193P185-W189 VanDerWaalsContact O-CB 3.27Å; P185-W189 WeakPolarHBondContact O-CB 3.04Å; P185-W189 PolarHBondContact O-N 3.21Å; L186-W189 PolarHBondContact O-N 3.1Å; I187-W189 VanDerWaalsContact C-N 3.33Å; I187-W189 PolarHBondContact O-N 3.48Å; W189-R192 PolarHBondContact O-N 3.21Å; W189-K193 HydrophobicContact CH2-CD 4.08Å; W189-K193 HydrophobicContact CZ2-CD 3.94Å; W189-K193 VanDerWaalsContact CZ2-CE 3.44Å; W189-K193 HydrophobicContact CZ3-CD 4.5Å; W189-K193 PolarHBondContact O-N 3.22Å
190V92.1Very high84.3Confident72 Ų72104.3 Ų104.344%0.43652%0.517SS..Hα-helixtrans-62.5-44.6176.3172.40000110.6L186 I187 K193 E194L186-V190 WeakPolarHBondContact O-CG2 3.35Å; L186-V190 PolarHBondContact O-N 2.75Å; I187-V190 PolarHBondContact O-N 2.88Å; V190-K193 PolarHBondContact O-N 3.37Å; V190-E194 PolarHBondContact O-N 3.1Å
191K92.4Very high83.9Confident145 Ų145105.7 Ų105.763%0.6352%0.518SS*.Hα-helixtrans-62.9-42.9177.2-71-67.2-175-1790112.1I187 V188 K193 E194 V195I187-K191 WeakPolarHBondContact O-CB 3.21Å; I187-K191 VanDerWaalsContact O-CG 3.31Å; I187-K191 WeakPolarHBondContact O-CG 3.28Å; I187-K191 PolarHBondContact O-N 3.13Å; V188-K191 PolarHBondContact O-N 3.49Å; K191-K193 VanDerWaalsContact C-N 3.31Å; K191-K193 PolarHBondContact O-N 2.82Å; K191-E194 PolarHBondContact O-N 2.53Å; K191-V195 WeakPolarHBondContact O-CG2 3.33Å; K191-V195 PolarHBondContact O-N 2.04Å
192R87.6Confident82.9Confident182 Ų182106.3 Ų106.369%0.68752%0.518SS*.Hα-helixtrans-59.1-41.7173.3-78.2-176.8179.9-170.71.3111.7V188 W189 Q196V188-R192 HydrophobicContact CG1-CG 4.5Å; V188-R192 WeakPolarHBondContact O-CB 3.42Å; V188-R192 WeakPolarHBondContact O-CG 3.4Å; V188-R192 PolarHBondContact O-N 3.14Å; W189-R192 PolarHBondContact O-N 3.21Å; R192-Q196 VanDerWaalsContact O-CB 3.25Å; R192-Q196 WeakPolarHBondContact O-CB 2.99Å; R192-Q196 PolarHBondContact O-N 2.84Å
193K87.9Confident81.6Confident92 Ų92109.7 Ų109.740%0.452%0.522SS..Hα-helixtrans-66.6-41.2176.9-92.5-157.9172.2-178.70113.1W189 V190 K191 Q196 K197W189-K193 HydrophobicContact CH2-CD 4.08Å; W189-K193 HydrophobicContact CZ2-CD 3.94Å; W189-K193 VanDerWaalsContact CZ2-CE 3.44Å; W189-K193 HydrophobicContact CZ3-CD 4.5Å; W189-K193 PolarHBondContact O-N 3.22Å; V190-K193 PolarHBondContact O-N 3.37Å; K191-K193 VanDerWaalsContact C-N 3.31Å; K191-K193 PolarHBondContact O-N 2.82Å; K193-Q196 PolarHBondContact O-N 3.07Å; K193-K197 WeakPolarHBondContact O-CB 3.38Å; K193-K197 VanDerWaalsContact O-CG 3.3Å; K193-K197 WeakPolarHBondContact O-CG 3.42Å; K193-K197 PolarHBondContact O-N 2.96Å
194E84.3Confident80.2Confident91 Ų91115.3 Ų115.343%0.42554%0.541SS..Hα-helixtrans-65.5-43.7177.5-75.6-57.9128.700111.8V190 K191 Q196 K197 T198V190-E194 PolarHBondContact O-N 3.1Å; K191-E194 PolarHBondContact O-N 2.53Å; E194-Q196 PolarHBondContact O-N 3.41Å; E194-K197 PolarHBondContact O-N 2.73Å; E194-K197 IonicContact OE1-NZ 2.83Å; E194-K197 PolarHBondContact OE1-NZ 2.79Å; E194-T198 PolarHBondContact O-N 2.8Å; E194-T198 PolarHBondContact O-OG1 3.23Å; E194-T198 VanDerWaalsContact O-OG1 3.08Å
195V84Confident78.7Confident93 Ų93117.9 Ų117.956%0.56455%0.551SS**Hα-helixtrans-60.6-45.7173172.30000110.9K191 K197 T198 C199K191-V195 WeakPolarHBondContact O-CG2 3.33Å; K191-V195 PolarHBondContact O-N 2.04Å; V195-K197 VanDerWaalsContact C-N 3.33Å; V195-K197 PolarHBondContact O-N 3.09Å; V195-T198 PolarHBondContact O-N 3.4Å; V195-C199 PolarHBondContact O-N 3.04Å; V195-C199 PolarHBondContact O-SG 3.02Å
196Q80.8Confident77Confident94 Ų94120.6 Ų120.644%0.43956%0.561SS.*Hα-helixtrans-62.2-38.3178.8-171.3-178.714.100112.5R192 K193 E194 R200R192-Q196 VanDerWaalsContact O-CB 3.25Å; R192-Q196 WeakPolarHBondContact O-CB 2.99Å; R192-Q196 PolarHBondContact O-N 2.84Å; K193-Q196 PolarHBondContact O-N 3.07Å; E194-Q196 PolarHBondContact O-N 3.41Å; Q196-R200 WeakPolarHBondContact O-CB 3.06Å; Q196-R200 VanDerWaalsContact O-CG 3.27Å; Q196-R200 WeakPolarHBondContact O-CG 3.42Å; Q196-R200 PolarHBondContact O-N 2.86Å
197K81Confident75.2Confident117 Ų117123 Ų12351%0.50957%0.569SS.*Hα-helixtrans-65.7-44.7174.9-75.2177.2-165.7166.80111.5K193 E194 V195 R200 K201K193-K197 WeakPolarHBondContact O-CB 3.38Å; K193-K197 VanDerWaalsContact O-CG 3.3Å; K193-K197 WeakPolarHBondContact O-CG 3.42Å; K193-K197 PolarHBondContact O-N 2.96Å; E194-K197 PolarHBondContact O-N 2.73Å; E194-K197 IonicContact OE1-NZ 2.83Å; E194-K197 PolarHBondContact OE1-NZ 2.79Å; V195-K197 VanDerWaalsContact C-N 3.33Å; V195-K197 PolarHBondContact O-N 3.09Å; K197-R200 PolarHBondContact O-N 3.22Å; K197-K201 PolarHBondContact O-N 3.27Å
198T74.4Confident73Confident75 Ų75121.6 Ų121.646%0.4658%0.58SS.*Hα-helixtrans-62.6-44.2177.7-59.20000111.3E194 V195 R200 K201 H202E194-T198 PolarHBondContact O-N 2.8Å; E194-T198 PolarHBondContact O-OG1 3.23Å; E194-T198 VanDerWaalsContact O-OG1 3.08Å; V195-T198 PolarHBondContact O-N 3.4Å; T198-R200 PolarHBondContact O-N 2.87Å; T198-K201 PolarHBondContact O-N 3.17Å; T198-H202 PolarHBondContact O-CD2 3.29Å; T198-H202 PolarHBondContact O-N 3.04Å; T198-H202 VanDerWaalsContact O-N 3.08Å
199C69.7Low70.5Confident68 Ų68123.9 Ų123.946%0.45960%0.599SS.*Hα-helixtrans-62.9-40173.5-65.10000112.5V195 K201 R203V195-C199 PolarHBondContact O-N 3.04Å; V195-C199 PolarHBondContact O-SG 3.02Å; C199-K201 VanDerWaalsContact C-N 3.31Å; C199-K201 PolarHBondContact O-N 3.35Å; C199-R203 PolarHBondContact O-N 3.31Å; C199-R203 VanDerWaalsContact O-N 3.11Å
200R70.3Confident67.9Low164 Ų164125.7 Ų125.762%0.61961%0.613SS**Hα-helixtrans-66-31.9175.4-79.7178.6176.2-171.4-0.7112.7Q196 K197 T198 K204Q196-R200 WeakPolarHBondContact O-CB 3.06Å; Q196-R200 VanDerWaalsContact O-CG 3.27Å; Q196-R200 WeakPolarHBondContact O-CG 3.42Å; Q196-R200 PolarHBondContact O-N 2.86Å; K197-R200 PolarHBondContact O-N 3.22Å; T198-R200 PolarHBondContact O-N 2.87Å; R200-K204 PolarHBondContact O-N 3.03Å
201K69.2Low65Low150 Ų150131.6 Ų131.665%0.65264%0.636SS**Hα-helixtrans-71-48.5177.5-169.7178.3178.1-174.40111.2K197 T198 C199 R203 K204 E205K197-K201 PolarHBondContact O-N 3.27Å; T198-K201 PolarHBondContact O-N 3.17Å; C199-K201 VanDerWaalsContact C-N 3.31Å; C199-K201 PolarHBondContact O-N 3.35Å; K201-R203 PolarHBondContact O-N 2.89Å; K201-K204 PolarHBondContact O-N 3.13Å; K201-E205 PolarHBondContact O-N 2.02Å
202H61.5Low62.6Low117 Ų117129 Ų12954%0.54264%0.636SS.*Hα-helixtrans-59.4-34.2174.2-82.4-76.4000112.8T198 K204 N206T198-H202 PolarHBondContact O-CD2 3.29Å; T198-H202 PolarHBondContact O-N 3.04Å; T198-H202 VanDerWaalsContact O-N 3.08Å; H202-K204 VanDerWaalsContact C-N 3.33Å; H202-K204 PolarHBondContact O-N 3.28Å; H202-N206 PolarHBondContact O-N 3.49Å
203R57.2Low61.1Low193 Ų193125.5 Ų125.573%0.72864%0.637SS**Hα-helixtrans-66.5-30.2174.7-171.8174.3178.7176.11.6113.6C199 K201C199-R203 PolarHBondContact O-N 3.31Å; C199-R203 VanDerWaalsContact O-N 3.11Å; K201-R203 PolarHBondContact O-N 2.89Å
204K56.3Low58.3Low172 Ų172127.4 Ų127.475%0.74866%0.657SS**Hα-helixtrans-81.8-29.4179.2-75.1-173.3176.7-170.50113R200 K201 H202 Q207R200-K204 PolarHBondContact O-N 3.03Å; K201-K204 PolarHBondContact O-N 3.13Å; H202-K204 VanDerWaalsContact C-N 3.33Å; H202-K204 PolarHBondContact O-N 3.28Å; K204-Q207 PolarHBondContact O-N 3.29Å
205E56.3Low55.7Low140 Ų140131 Ų13165%0.65468%0.678SS**Hα-helixtrans-72.8-30.7177.1-131.4167.2159.700112.2K201 Q207K201-E205 PolarHBondContact O-N 2.02Å; E205-Q207 VanDerWaalsContact C-N 3.29Å; E205-Q207 PolarHBondContact O-N 3.47Å
206N51.9Low53.2Low142 Ų142133.6 Ų133.676%0.75969%0.688SS**THydrogen-bonded Turntrans-81.10.9176-72.9-5.9000114.6H202H202-N206 PolarHBondContact O-N 3.49Å
207Q51.3Low51.5Low162 Ų162134.3 Ų134.376%0.75770%0.701SS**THydrogen-bonded Turntrans-110.625.3-177.8-151.6161.62000112.8K204 E205K204-Q207 PolarHBondContact O-N 3.29Å; E205-Q207 VanDerWaalsContact C-N 3.29Å; E205-Q207 PolarHBondContact O-N 3.47Å
208G42.8Very low49.2Very low73 Ų73137.4 Ų137.475%0.75372%0.72SS**SBendtrans-118.617.5-179.400000115.7
209S38.5Very low47.2Very low117 Ų117143.4 Ų143.482%0.81874%0.742SS**  trans-146.4104.1167.5-166.10000109.6
210H36Very low45.3Very low181 Ų181144.7 Ų144.784%0.83875%0.752SS**  trans-108.2101.7173.1-156.5-83.3000108
211E32.7Very low43.7Very low196 Ų196142.8 Ų142.892%0.91676%0.763SS**  trans-132.2134.8147.6-127.7-178.9121.500106.2
212S41Very low42.1Very low91 Ų91140.2 Ų140.264%0.63676%0.764SS**  trans-125168.5-168.1-171.50000108.2
213P57.1Low41.1Very low107 Ų107142.2 Ų142.270%0.69578%0.777SS**  cis-120.4164.9-4.116.49.2000111.6
214T29Very low39.8Very low133 Ų133137.9 Ų137.982%0.81678%0.782SS**  -173.814786.4-36.70000111.4
215L29.7Very low38.7Very low166 Ų166138.3 Ų138.387%0.86979%0.787SS**  trans87.6107.8164.7-132.9100.9000119.6
216N30Very low37.5Very low147 Ų147137 Ų13779%0.78680%0.8SS**  trans-74.3178.2166.8-73.3-55.4000112.2
217P45Very low36.5Very low109 Ų109133.7 Ų133.771%0.70880%0.799SS**  cis-132.6180-34.931.9-12.8000112.6
218M33.7Very low35.7Very low183 Ų183133.2 Ų133.290%0.90181%0.807SS**  trans65.6105.1153.2-83.2-178.9157.800117.4
219E31.4Very low35.1Very low200 Ų200138.6 Ų138.694%0.93581%0.813SS**  -143.6131.1125.5-119.3-179.5154.600112.9
220S31.1Very low34.6Very low95 Ų95136.1 Ų136.166%0.66481%0.805SS**  trans-65.5150.5-175.2176.40000111.6S222S220-S222 PolarHBondContact O-N 3.12Å
221C37.1Very low34.2Very low125 Ų125133.7 Ų133.785%0.84581%0.807SS**  trans-6887.1164.2-166.10000108.3
222S33.6Very low34Very low96 Ų96132.6 Ų132.667%0.67181%0.808SS**  trans-90.3132.1174.4-69.30000110S220 A224S220-S222 PolarHBondContact O-N 3.12Å; S222-A224 PolarHBondContact O-N 3.44Å; S222-A224 VanDerWaalsContact O-N 3.16Å
223I41.5Very low33.6Very low159 Ų159137.7 Ų137.782%0.81582%0.821SS**  trans-57.6114.3172.4-63.8178.4000107.9Q225I223-Q225 PolarHBondContact O-N 3.29Å
224A30.8Very low32.5Very low102 Ų102136.2 Ų136.284%0.84383%0.825SS**  trans-68.598.7170.500000109.1S222S222-A224 PolarHBondContact O-N 3.44Å; S222-A224 VanDerWaalsContact O-N 3.16Å
225Q31.5Very low32.6Very low181 Ų181135.1 Ų135.185%0.84682%0.823SS**  trans-73.3118153.1-73.5178.1-73.900107I223 G227I223-Q225 PolarHBondContact O-N 3.29Å; Q225-G227 PolarHBondContact O-N 3.13Å; Q225-G227 VanDerWaalsContact O-N 3.07Å
226A31.9Very low32.7Very low112 Ų112135.6 Ų135.693%0.92683%0.825SS**  trans-68.4101.7165.500000108.3
227G31.7Very low32.8Very low72 Ų72137 Ų13774%0.74283%0.827SS**PPolyproline II helixtrans-102.3126.116700000109.8Q225Q225-G227 PolarHBondContact O-N 3.13Å; Q225-G227 VanDerWaalsContact O-N 3.07Å
228V33.3Very low32.7Very low152 Ų152136.7 Ų136.792%0.92183%0.825SS**PPolyproline II helixtrans-72.8140.9170.4174.50000109.4
229Q31Very low32.6Very low187 Ų187137.8 Ų137.887%0.87483%0.828SS**PPolyproline II helixtrans-83.9135.4-170.3-173.4157.78.800114.4
230G28.5Very low32.9Very low64 Ų64133.5 Ų133.566%0.6682%0.82SS**  trans60.6145.314400000119.5
231C27.5Very low33.4Very low130 Ų130135 Ų13588%0.87883%0.828SS**  cis-149.5141.438.4-640000112.4
232N28.4Very low33.1Very low174 Ų174132.5 Ų132.593%0.9382%0.824SS**  trans-109.3127.4161.4-87-28.5000108.6
233H32.7Very low33.3Very low198 Ų198136 Ų13692%0.91783%0.834SS**  trans-92.4134173.1-142.2-98.8000108.8
234G34.1Very low33.1Very low76 Ų76141.6 Ų141.678%0.78485%0.852SS**  trans-68.7160.2-170.600000115.2
235S29.5Very low33.3Very low110 Ų110143.6 Ų143.677%0.76985%0.853SS**  trans-104.7134.6170.7-176.30000109.5
236L31.6Very low33.4Very low175 Ų175141.6 Ų141.692%0.91685%0.853SS**  trans-140133.4153.6-130.982.2000107.5
237Q33.3Very low33.4Very low176 Ų176143.3 Ų143.382%0.82285%0.849SS**  trans-77.1-157-170.5-61.4179.6-72.100114.2
238P42.7Very low33.5Very low104 Ų104147.5 Ų147.568%0.67586%0.855SS**  -117.1166.4-91.936.7-19.3000112.7
239Q31.2Very low33.6Very low205 Ų205147.2 Ų147.296%0.95885%0.851SS**  trans-169.3136.1152.3-108.4167.536.500112.2
240S37.1Very low33.7Very low110 Ų110144.5 Ų144.577%0.76985%0.85SS**  trans-107.9152.2162.3-177.80000105.7
241P41.6Very low34.1Very low127 Ų127150.3 Ų150.383%0.82586%0.863SS**  -150.9177.752.737.7-14.4000116.7
242G31.6Very low34.6Very low73 Ų73151.8 Ų151.875%0.75386%0.862SS**  trans151.6104154.700000118.1
243L38.3Very low35.1Very low169 Ų169150 Ų15089%0.88586%0.856SS**  trans-14.8128.5155.4-8862.1000118
244K37.9Very low35.4Very low277 Ų277145.6 Ų145.6100%1.20485%0.851SS**  -175.5099.4-103.5178.5-178.7178.30110.6

Retrieved 244 of 244 residues in 50 ms (Link to these results)