A0A087YCK7_POEFO Loading...

Complement C1q like 2

AlphaFold DB , UniProt , Accession A0A087YCK7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 299 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
1P46.9Very low36.4Very low173 Ų173157.8 Ų157.8100%1.12386%0.858SS**  0104.6027.4-6.2000111.4
2L29.7Very low36Very low170 Ų170151.6 Ų151.689%0.8986%0.858SS**  trans174.1106.5146.6-106134.6000110.3
3I36.1Very low36.2Very low149 Ų149147.5 Ų147.576%0.76485%0.845SS**  trans-2.8135.2147-38.5178.3000117.3
4T29.2Very low36.6Very low131 Ų131146.7 Ų146.780%0.80484%0.844SS**  166.9141.4104.7-54.90000113.3
5V39.5Very low36.4Very low113 Ų113141.7 Ų141.769%0.68584%0.837SS**  trans-73.9148.4-177.5173.10000113
6T30.3Very low36.3Very low145 Ų145144.9 Ų144.989%0.8984%0.837SS**  trans-152.1132142.9-43.50000110.9
7I40.4Very low36.6Very low144 Ų144144.5 Ų144.574%0.73883%0.831SS**  trans-91.7141.7175.1-64.7168.6000108.8
8A31.8Very low36.9Very low99 Ų99141.4 Ų141.482%0.81883%0.826SS**  trans-131.4131162.500000110.7
9L43.3Very low37Very low164 Ų164140.5 Ų140.586%0.85983%0.828SS**  trans-71.2143.8172-87.6100.3000111.3
10Q31Very low37.5Very low196 Ų196142 Ų14292%0.91683%0.83SS**  trans-155.9137.7142.1-141.7150.6-23.300114.9
11R41.6Very low38.1Very low252 Ų252137.8 Ų137.895%0.95182%0.817SS**  trans-58142.5171.3-90.3170.7162166.8-5.3112.3
12G31.7Very low38.3Very low83 Ų83134.1 Ų134.186%0.85679%0.793SS**  trans-137.3134166.300000111
13S38.7Very low39.4Very low99 Ų99137.2 Ų137.269%0.69279%0.793SS**  trans-99.7146.8-162.4175.90000113
14T41.9Very low40.2Very low136 Ų136134.6 Ų134.683%0.83478%0.784SS**  trans58.5134.4141.554.30000123.5
15G33.5Very low41.3Very low71 Ų71131 Ų13173%0.73277%0.767SS**  trans128.9137.6145.800000113.1
16F34.8Very low42Very low193 Ų193135.6 Ų135.685%0.84677%0.773SS**  cis-169.7135.3-1.2-151.6-110.3000106
17L41.7Very low43.1Very low139 Ų139138.3 Ų138.373%0.72877%0.767SS**  trans31.5114.2152.9-67.1172.8000120.2
18A41.1Very low43.8Very low89 Ų89138.7 Ų138.774%0.73676%0.763SS**  83.3108.186.600000113.9
19S40Very low45Very low124 Ų124142.7 Ų142.787%0.86776%0.757SS**  trans-125.1122.1157.8175.90000108.9
20I46.6Very low46Very low169 Ų169138.6 Ų138.687%0.86774%0.742SS**  trans-83.1113.4-171.4-69.5161.3000108.2
21G50.3Low47.8Very low55 Ų55133.5 Ų133.557%0.56772%0.724SS**  trans-119.2145.216300000109.6R23G21-R23 PolarHBondContact O-N 3.44Å
22P50Low49.2Very low96 Ų96125.6 Ų125.662%0.62370%0.704SS**  trans-61.8129-165.122.3-31.8000112.6T24 A25P22-T24 PolarHBondContact O-N 3.1Å; P22-A25 PolarHBondContact O-N 3.16Å; P22-A25 VanDerWaalsContact O-N 3.12Å
23R54.4Low51.3Low234 Ų234127.5 Ų127.588%0.88369%0.689SS**Hα-helixtrans-53.9-16.1-179.5-79.1177.7163.5167.6-5.2114.6G21G21-R23 PolarHBondContact O-N 3.44Å
24T52.1Low53.1Low95 Ų95125.4 Ų125.458%0.58368%0.677SS**Hα-helixtrans-75.9-28179.350.10000113.5P22 K28P22-T24 PolarHBondContact O-N 3.1Å; T24-K28 WeakPolarHBondContact O-CG 3.43Å; T24-K28 PolarHBondContact O-N 2.76Å
25A51.9Low54.9Low54 Ų54123.3 Ų123.345%0.44666%0.664SS.*Hα-helixtrans-74.9-39.8-17900000112.7P22 K28 W29P22-A25 PolarHBondContact O-N 3.16Å; P22-A25 VanDerWaalsContact O-N 3.12Å; A25-K28 PolarHBondContact O-N 2.8Å; A25-W29 PolarHBondContact O-N 3.39Å; A25-W29 VanDerWaalsContact O-N 3.14Å
26R54Low57.2Low210 Ų210123.3 Ų123.379%0.79265%0.65SS**Hα-helixtrans-64.2-41.2176.7-74.1-172.3-175.6-162.11.2112.4W29 S30R26-W29 PolarHBondContact O-N 3.06Å; R26-S30 PolarHBondContact O-N 2.99Å; R26-S30 PolarHBondContact O-OG 2.95Å; R26-S30 VanDerWaalsContact O-OG 3.1Å
27R54.3Low59.4Low203 Ų203116.8 Ų116.877%0.76663%0.632SS**Hα-helixtrans-68.2-36.6-179.9-143.1177.3-176.3-163.70.6112V31R27-V31 VanDerWaalsContact O-CG2 3.29Å; R27-V31 WeakPolarHBondContact O-CG2 3.41Å; R27-V31 PolarHBondContact O-N 2.98Å; R27-V31 VanDerWaalsContact O-N 3.1Å
28K56Low61.6Low151 Ų151114.3 Ų114.366%0.65762%0.622SS**Hα-helixtrans-64.5-45.3174.3-74.9179.5176.5-170.80111.9T24 A25 V31 V32T24-K28 WeakPolarHBondContact O-CG 3.43Å; T24-K28 PolarHBondContact O-N 2.76Å; A25-K28 PolarHBondContact O-N 2.8Å; K28-V31 PolarHBondContact O-N 3.17Å; K28-V32 VanDerWaalsContact O-CG2 3.26Å; K28-V32 WeakPolarHBondContact O-CG2 3.5Å; K28-V32 PolarHBondContact O-N 3.12Å
29W57Low63.9Low183 Ų183112.7 Ų112.769%0.69361%0.609SS**Hα-helixtrans-64.9-42.6176.7-88.440.2000112.3A25 R26 V31 V32 F33A25-W29 PolarHBondContact O-N 3.39Å; A25-W29 VanDerWaalsContact O-N 3.14Å; R26-W29 PolarHBondContact O-N 3.06Å; W29-V31 VanDerWaalsContact C-N 3.33Å; W29-V31 PolarHBondContact O-N 2.97Å; W29-V32 PolarHBondContact O-N 3.46Å; W29-F33 HydrophobicContact CB-CD2 4.42Å; W29-F33 HydrophobicContact CB-CE2 4.2Å; W29-F33 HydrophobicContact CD2-CE2 4.25Å; W29-F33 AromaticContact CE3-CE2 3.66Å; W29-F33 HydrophobicContact CE3-CE2 3.66Å; W29-F33 HydrophobicContact CE3-CZ 4.07Å; W29-F33 HydrophobicContact CZ3-CE2 4.33Å; W29-F33 HydrophobicContact CZ3-CZ 4.3Å; W29-F33 WeakPolarHBondContact O-CD2 3.48Å; W29-F33 PolarHBondContact O-N 3.36Å
30S63.1Low66.1Low79 Ų79112.8 Ų112.855%0.55260%0.597SS**Hα-helixtrans-61.5-38176.3-61.10000113.4R26 A34R26-S30 PolarHBondContact O-N 2.99Å; R26-S30 PolarHBondContact O-OG 2.95Å; R26-S30 VanDerWaalsContact O-OG 3.1Å; S30-A34 WeakPolarHBondContact O-CB 3.36Å; S30-A34 PolarHBondContact O-N 2.98Å
31V68.3Low68.1Low88 Ų88109 Ų10953%0.53358%0.582SS.*Hα-helixtrans-69.7-40.4175.5174.30000110.9R27 K28 W29 A34 V35R27-V31 VanDerWaalsContact O-CG2 3.29Å; R27-V31 WeakPolarHBondContact O-CG2 3.41Å; R27-V31 PolarHBondContact O-N 2.98Å; R27-V31 VanDerWaalsContact O-N 3.1Å; K28-V31 PolarHBondContact O-N 3.17Å; W29-V31 VanDerWaalsContact C-N 3.33Å; W29-V31 PolarHBondContact O-N 2.97Å; V31-A34 PolarHBondContact O-N 2.72Å; V31-V35 HydrophobicContact CG1-CG2 4.2Å; V31-V35 WeakPolarHBondContact O-CB 3.24Å; V31-V35 VanDerWaalsContact O-CG2 3.24Å; V31-V35 WeakPolarHBondContact O-CG2 3.26Å; V31-V35 PolarHBondContact O-N 2.77Å
32V72.5Confident70Confident86 Ų86111.2 Ų111.252%0.52158%0.58SS.*Hα-helixtrans-62.1-44.8176.1171.80000111K28 W29 A34 V35 T36K28-V32 VanDerWaalsContact O-CG2 3.26Å; K28-V32 WeakPolarHBondContact O-CG2 3.5Å; K28-V32 PolarHBondContact O-N 3.12Å; W29-V32 PolarHBondContact O-N 3.46Å; V32-A34 PolarHBondContact O-N 3.37Å; V32-V35 PolarHBondContact O-N 3.18Å; V32-T36 HydrophobicContact CG1-CG2 4.4Å; V32-T36 WeakPolarHBondContact O-CG2 3.49Å; V32-T36 PolarHBondContact O-N 3.35Å; V32-T36 PolarHBondContact O-OG1 3.01Å; V32-T36 VanDerWaalsContact O-OG1 3.05Å
33F75.3Confident71.9Confident123 Ų123111.2 Ų111.254%0.53957%0.574SS.*Hα-helixtrans-64.8-36.5176.2-74-64.5000113.2W29 T36 A37W29-F33 HydrophobicContact CB-CD2 4.42Å; W29-F33 HydrophobicContact CB-CE2 4.2Å; W29-F33 HydrophobicContact CD2-CE2 4.25Å; W29-F33 AromaticContact CE3-CE2 3.66Å; W29-F33 HydrophobicContact CE3-CE2 3.66Å; W29-F33 HydrophobicContact CE3-CZ 4.07Å; W29-F33 HydrophobicContact CZ3-CE2 4.33Å; W29-F33 HydrophobicContact CZ3-CZ 4.3Å; W29-F33 WeakPolarHBondContact O-CD2 3.48Å; W29-F33 PolarHBondContact O-N 3.36Å; F33-T36 WeakPolarHBondContact CA-OG1 3.19Å; F33-T36 PolarHBondContact O-OG1 3.32Å; F33-T36 VanDerWaalsContact O-OG1 3.08Å; F33-A37 VanDerWaalsContact O-CB 3.25Å; F33-A37 WeakPolarHBondContact O-CB 3.44Å; F33-A37 PolarHBondContact O-N 3.2Å
34A76.6Confident73.5Confident55 Ų55102.8 Ų102.846%0.45555%0.554SS.*Hα-helixtrans-68.1-43.1176.100000111.6S30 V31 V32 A37 V38S30-A34 WeakPolarHBondContact O-CB 3.36Å; S30-A34 PolarHBondContact O-N 2.98Å; V31-A34 PolarHBondContact O-N 2.72Å; V32-A34 PolarHBondContact O-N 3.37Å; A34-A37 PolarHBondContact O-N 3.45Å; A34-V38 VanDerWaalsContact O-CG2 3.29Å; A34-V38 WeakPolarHBondContact O-CG2 3.16Å; A34-V38 PolarHBondContact O-N 3.41Å
35V80.3Confident75.2Confident93 Ų93102.6 Ų102.656%0.56455%0.549SS*.Hα-helixtrans-67.3-40.6178.7173.50000111.1V31 V32 V38 A39V31-V35 HydrophobicContact CG1-CG2 4.2Å; V31-V35 WeakPolarHBondContact O-CB 3.24Å; V31-V35 VanDerWaalsContact O-CG2 3.24Å; V31-V35 WeakPolarHBondContact O-CG2 3.26Å; V31-V35 PolarHBondContact O-N 2.77Å; V32-V35 PolarHBondContact O-N 3.18Å; V35-V38 PolarHBondContact O-N 3.33Å; V35-A39 WeakPolarHBondContact O-CB 3.33Å; V35-A39 PolarHBondContact O-N 3.02Å
36T81Confident76.8Confident70 Ų70104.4 Ų104.443%0.42956%0.555SS.*Hα-helixtrans-67.7-39175.755.30000111.9V32 F33 A39 M40V32-T36 HydrophobicContact CG1-CG2 4.4Å; V32-T36 WeakPolarHBondContact O-CG2 3.49Å; V32-T36 PolarHBondContact O-N 3.35Å; V32-T36 PolarHBondContact O-OG1 3.01Å; V32-T36 VanDerWaalsContact O-OG1 3.05Å; F33-T36 WeakPolarHBondContact CA-OG1 3.19Å; F33-T36 PolarHBondContact O-OG1 3.32Å; F33-T36 VanDerWaalsContact O-OG1 3.08Å; T36-A39 PolarHBondContact O-N 2.8Å; T36-M40 WeakPolarHBondContact O-CB 3.33Å; T36-M40 WeakPolarHBondContact O-CG 3.26Å; T36-M40 PolarHBondContact O-N 2.99Å
37A82Confident78.3Confident56 Ų5699 Ų9946%0.46354%0.541SS..Hα-helixtrans-62.6-44.9175.100000112.1F33 A34 M40 V41F33-A37 VanDerWaalsContact O-CB 3.25Å; F33-A37 WeakPolarHBondContact O-CB 3.44Å; F33-A37 PolarHBondContact O-N 3.2Å; A34-A37 PolarHBondContact O-N 3.45Å; A37-M40 PolarHBondContact O-N 2.82Å; A37-V41 WeakPolarHBondContact O-CG2 3.46Å; A37-V41 PolarHBondContact O-N 2.64Å
38V87.6Confident79.6Confident88 Ų8891.4 Ų91.453%0.53352%0.521SS..Hα-helixtrans-64.3-42.4176.7172.90000111A34 V35 M40 V41 L42A34-V38 VanDerWaalsContact O-CG2 3.29Å; A34-V38 WeakPolarHBondContact O-CG2 3.16Å; A34-V38 PolarHBondContact O-N 3.41Å; V35-V38 PolarHBondContact O-N 3.33Å; V38-M40 VanDerWaalsContact C-N 3.34Å; V38-M40 PolarHBondContact O-N 2.89Å; V38-V41 PolarHBondContact O-N 2.88Å; V38-L42 HydrophobicContact CG1-CD1 4.01Å; V38-L42 HydrophobicContact CG1-CG 4.39Å; V38-L42 WeakPolarHBondContact O-CG 3.44Å; V38-L42 PolarHBondContact O-N 3.02Å
39A88.2Confident80.8Confident54 Ų5487.6 Ų87.645%0.44651%0.511SS..Hα-helixtrans-62-40.1176.600000112.3V35 T36 L42 L43V35-A39 WeakPolarHBondContact O-CB 3.33Å; V35-A39 PolarHBondContact O-N 3.02Å; T36-A39 PolarHBondContact O-N 2.8Å; A39-L42 PolarHBondContact O-N 2.84Å; A39-L43 WeakPolarHBondContact O-CB 3.45Å; A39-L43 PolarHBondContact O-N 2.61Å
40M87.3Confident81.9Confident126 Ų12681.7 Ų81.762%0.62150%0.496SS*.Hα-helixtrans-66.9-37.8176.4-71-65.4-70.100112.3T36 A37 V38 L43 A44T36-M40 WeakPolarHBondContact O-CB 3.33Å; T36-M40 WeakPolarHBondContact O-CG 3.26Å; T36-M40 PolarHBondContact O-N 2.99Å; A37-M40 PolarHBondContact O-N 2.82Å; V38-M40 VanDerWaalsContact C-N 3.34Å; V38-M40 PolarHBondContact O-N 2.89Å; M40-L43 PolarHBondContact O-N 3.08Å; M40-A44 WeakPolarHBondContact O-CB 3.43Å; M40-A44 PolarHBondContact O-N 3.19Å
41V88.8Confident82.5Confident90 Ų9083.1 Ų83.155%0.54550%0.497SS..Hα-helixtrans-66.7-43.7175171.60000111A37 V38 L43 A44 L45A37-V41 WeakPolarHBondContact O-CG2 3.46Å; A37-V41 PolarHBondContact O-N 2.64Å; V38-V41 PolarHBondContact O-N 2.88Å; V41-L43 PolarHBondContact O-N 3.27Å; V41-A44 PolarHBondContact O-N 3.01Å; V41-L45 HydrophobicContact CG1-CD1 4.08Å; V41-L45 WeakPolarHBondContact O-CG 3.43Å; V41-L45 PolarHBondContact O-N 3.4Å
42L89.6Confident82.7Confident102 Ų10284.7 Ų84.753%0.53450%0.501SS..Hα-helixtrans-63.9-41.1177.1-69173.8000111.6V38 A39 L45 T46V38-L42 HydrophobicContact CG1-CD1 4.01Å; V38-L42 HydrophobicContact CG1-CG 4.39Å; V38-L42 WeakPolarHBondContact O-CG 3.44Å; V38-L42 PolarHBondContact O-N 3.02Å; A39-L42 PolarHBondContact O-N 2.84Å; L42-L45 PolarHBondContact O-N 2.81Å; L42-T46 WeakPolarHBondContact O-CG2 3.4Å; L42-T46 PolarHBondContact O-N 3.35Å; L42-T46 PolarHBondContact O-OG1 3.11Å
43L90.1Very high82.6Confident96 Ų9687.2 Ų87.250%0.50351%0.511SS..Hα-helixtrans-64.2-39.6174.5-169.578000112A39 M40 V41 L45 T46 I47A39-L43 WeakPolarHBondContact O-CB 3.45Å; A39-L43 PolarHBondContact O-N 2.61Å; M40-L43 PolarHBondContact O-N 3.08Å; V41-L43 PolarHBondContact O-N 3.27Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-T46 WeakPolarHBondContact CA-OG1 3.01Å; L43-T46 PolarHBondContact O-N 3.19Å; L43-T46 PolarHBondContact O-OG1 3.4Å; L43-I47 HydrophobicContact CG-CD1 4.18Å; L43-I47 WeakPolarHBondContact O-CG1 3.49Å; L43-I47 PolarHBondContact O-N 2.86Å
44A87.4Confident82.1Confident56 Ų5688 Ų8846%0.46352%0.52SS..Hα-helixtrans-64.5-39.8175.600000111.4M40 V41 I47 A48M40-A44 WeakPolarHBondContact O-CB 3.43Å; M40-A44 PolarHBondContact O-N 3.19Å; V41-A44 PolarHBondContact O-N 3.01Å; A44-I47 PolarHBondContact O-N 3.46Å; A44-A48 WeakPolarHBondContact O-CB 3.15Å; A44-A48 PolarHBondContact O-N 2.93Å
45L87.1Confident81.2Confident92 Ų9295 Ų9548%0.48254%0.535SS..Hα-helixtrans-68.3-40.3177.1-70.6170.9000112.2V41 L42 L43 I47 V49V41-L45 HydrophobicContact CG1-CD1 4.08Å; V41-L45 WeakPolarHBondContact O-CG 3.43Å; V41-L45 PolarHBondContact O-N 3.4Å; L42-L45 PolarHBondContact O-N 2.81Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L45-I47 PolarHBondContact O-N 3.47Å; L45-V49 VanDerWaalsContact O-CB 3.29Å; L45-V49 WeakPolarHBondContact O-CB 3.35Å; L45-V49 VanDerWaalsContact O-CG2 3.24Å; L45-V49 WeakPolarHBondContact O-CG2 2.95Å; L45-V49 PolarHBondContact O-N 2.94Å
46T85.6Confident80Confident92 Ų9295.1 Ų95.156%0.56454%0.54SS*.Hα-helixtrans-68.4-20.4177.556.60000113.3L42 L43 P50L42-T46 WeakPolarHBondContact O-CG2 3.4Å; L42-T46 PolarHBondContact O-N 3.35Å; L42-T46 PolarHBondContact O-OG1 3.11Å; L43-T46 WeakPolarHBondContact CA-OG1 3.01Å; L43-T46 PolarHBondContact O-N 3.19Å; L43-T46 PolarHBondContact O-OG1 3.4Å; T46-P50 WeakPolarHBondContact O-CD 3.39Å; T46-P50 WeakPolarHBondContact O-CG 3.37Å
47I86Confident78.7Confident96 Ų9696.9 Ų96.949%0.49255%0.553SS.*Hα-helixtrans-93.2-43.5174.6-63.1169.4000111.2L43 A44 L45 P50 L51L43-I47 HydrophobicContact CG-CD1 4.18Å; L43-I47 WeakPolarHBondContact O-CG1 3.49Å; L43-I47 PolarHBondContact O-N 2.86Å; A44-I47 PolarHBondContact O-N 3.46Å; L45-I47 PolarHBondContact O-N 3.47Å; I47-P50 WeakPolarHBondContact O-CD 3.36Å; I47-L51 HydrophobicContact CG2-CD1 3.89Å; I47-L51 WeakPolarHBondContact O-CD1 3.38Å; I47-L51 WeakPolarHBondContact O-CG 3.44Å; I47-L51 PolarHBondContact O-N 3.01Å
48A81.9Confident77Confident43 Ų43102.7 Ų102.736%0.35557%0.57SS.*Hα-helixtrans-72-37.3-175.400000113.1A44 L51 L52A44-A48 WeakPolarHBondContact O-CB 3.15Å; A44-A48 PolarHBondContact O-N 2.93Å; A48-L51 PolarHBondContact O-N 2.84Å; A48-L52 WeakPolarHBondContact O-CB 3.39Å; A48-L52 PolarHBondContact O-N 2.76Å
49V81.2Confident75Confident72 Ų72104.7 Ų104.744%0.43658%0.583SS.*Hα-helixtrans-66.5-47.4-178.7173.80000111.5L45 L51 L52 L53L45-V49 VanDerWaalsContact O-CB 3.29Å; L45-V49 WeakPolarHBondContact O-CB 3.35Å; L45-V49 VanDerWaalsContact O-CG2 3.24Å; L45-V49 WeakPolarHBondContact O-CG2 2.95Å; L45-V49 PolarHBondContact O-N 2.94Å; V49-L51 VanDerWaalsContact C-N 3.32Å; V49-L51 PolarHBondContact O-N 3.3Å; V49-L52 PolarHBondContact O-N 2.9Å; V49-L53 HydrophobicContact CG1-CD1 3.91Å; V49-L53 HydrophobicContact CG1-CG 4.42Å; V49-L53 VanDerWaalsContact O-CG 3.29Å; V49-L53 WeakPolarHBondContact O-CG 3.25Å; V49-L53 PolarHBondContact O-N 3.49Å
50P79.4Confident72.9Confident59 Ų59106 Ų10638%0.38359%0.589SS.*Hα-helixtrans-61.4-36.6172.8-25.636.4000113.5T46 I47 L52 L53 L54T46-P50 WeakPolarHBondContact O-CD 3.39Å; T46-P50 WeakPolarHBondContact O-CG 3.37Å; I47-P50 WeakPolarHBondContact O-CD 3.36Å; P50-L52 VanDerWaalsContact C-N 3.35Å; P50-L53 PolarHBondContact O-N 3.48Å; P50-L54 VanDerWaalsContact O-CB 3.3Å; P50-L54 WeakPolarHBondContact O-CB 3.42Å; P50-L54 WeakPolarHBondContact O-CD1 3.33Å; P50-L54 VanDerWaalsContact O-CG 3.28Å; P50-L54 WeakPolarHBondContact O-CG 3.48Å; P50-L54 PolarHBondContact O-N 3.03Å
51L77.4Confident70.7Confident109 Ų109103.9 Ų103.957%0.57159%0.592SS**Hα-helixtrans-67.3-33.4176.5-76170.8000113.1I47 A48 V49 R55I47-L51 HydrophobicContact CG2-CD1 3.89Å; I47-L51 WeakPolarHBondContact O-CD1 3.38Å; I47-L51 WeakPolarHBondContact O-CG 3.44Å; I47-L51 PolarHBondContact O-N 3.01Å; A48-L51 PolarHBondContact O-N 2.84Å; V49-L51 VanDerWaalsContact C-N 3.32Å; V49-L51 PolarHBondContact O-N 3.3Å; L51-R55 PolarHBondContact O-N 3.27Å
52L70.4Confident68.4Low120 Ų120107.1 Ų107.163%0.62860%0.6SS**Hα-helixtrans-71.8-34.8172.7-86.7160.4000112.2A48 V49 P50A48-L52 WeakPolarHBondContact O-CB 3.39Å; A48-L52 PolarHBondContact O-N 2.76Å; V49-L52 PolarHBondContact O-N 2.9Å; P50-L52 VanDerWaalsContact C-N 3.35Å
53L70.5Confident65.9Low140 Ų140112.2 Ų112.273%0.73361%0.614SS**Hα-helixtrans-80.5-22.6178.2-64.8174.8000113.5V49 P50V49-L53 HydrophobicContact CG1-CD1 3.91Å; V49-L53 HydrophobicContact CG1-CG 4.42Å; V49-L53 VanDerWaalsContact O-CG 3.29Å; V49-L53 WeakPolarHBondContact O-CG 3.25Å; V49-L53 PolarHBondContact O-N 3.49Å; P50-L53 PolarHBondContact O-N 3.48Å
54L64.9Low63.5Low138 Ų138117.9 Ų117.972%0.72363%0.63SS**SBendtrans-84-10.5173.3-76.7160.9000113.1P50 S56P50-L54 VanDerWaalsContact O-CB 3.3Å; P50-L54 WeakPolarHBondContact O-CB 3.42Å; P50-L54 WeakPolarHBondContact O-CD1 3.33Å; P50-L54 VanDerWaalsContact O-CG 3.28Å; P50-L54 WeakPolarHBondContact O-CG 3.48Å; P50-L54 PolarHBondContact O-N 3.03Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 3.2Å
55R57.5Low61.2Low202 Ų202122.7 Ų122.776%0.76264%0.643SS**SBendtrans-74.892.4163.5-88.1-178173-175.5-2.7107.9L51L51-R55 PolarHBondContact O-N 3.27Å
56S56Low58.9Low96 Ų96126.8 Ų126.867%0.67166%0.662SS**  trans-46.9128.7157.840.90000108.6L54 E58L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 3.2Å; S56-E58 PolarHBondContact O-N 3.15Å; S56-E58 VanDerWaalsContact O-N 3.14Å
57P53.5Low57Low108 Ų108130.8 Ų130.870%0.70168%0.676SS**  trans-59.1123.3163.426.6-29.6000105.6T59P57-T59 PolarHBondContact O-N 3.28Å
58E46.4Very low55.1Low177 Ų177129.1 Ų129.183%0.82768%0.682SS**  trans-51.2111.1163.2-76.9-169.6149.600106.2S56 S60S56-E58 PolarHBondContact O-N 3.15Å; S56-E58 VanDerWaalsContact O-N 3.14Å; E58-S60 PolarHBondContact O-N 2.8Å
59T45.4Very low53.5Low130 Ų130132.3 Ų132.380%0.79870%0.698SS**  trans-71.778172.843.30000107.2P57 A61P57-T59 PolarHBondContact O-N 3.28Å; T59-A61 PolarHBondContact O-N 2.93Å
60S44.3Very low51.7Low81 Ų81135.4 Ų135.457%0.56672%0.721SS**  trans-71.374.5157.2-53.90000106.9E58 H62E58-S60 PolarHBondContact O-N 2.8Å; S60-H62 PolarHBondContact O-N 2.97Å
61A40.8Very low50.1Low83 Ų83142.2 Ų142.269%0.68674%0.739SS**  trans-64.479.8162.300000107.4T59 Y63T59-A61 PolarHBondContact O-N 2.93Å; A61-Y63 PolarHBondContact O-N 3.34Å
62H40.7Very low48.6Very low157 Ų157145 Ų14573%0.72775%0.752SS**  trans-67.693.8162.6-77.4-78.8000107S60 Y64S60-H62 PolarHBondContact O-N 2.97Å; H62-Y64 VanDerWaalsContact C-N 3.34Å; H62-Y64 PolarHBondContact O-N 3Å
63Y36.7Very low47.2Very low210 Ų210145.4 Ų145.482%0.82476%0.758SS**  trans-44.3100.3154.2-105.1-105.1000108.2A61 E65A61-Y63 PolarHBondContact O-N 3.34Å; Y63-E65 PolarHBondContact O-N 3.1Å
64Y40.1Very low45.9Very low215 Ų215143.1 Ų143.184%0.84375%0.753SS**  trans-79.5100.5149.9-89.4-87.2000105.5H62 M66H62-Y64 VanDerWaalsContact C-N 3.34Å; H62-Y64 PolarHBondContact O-N 3Å; Y64-M66 PolarHBondContact O-N 2.71Å
65E38.8Very low44.6Very low157 Ų157143.7 Ų143.773%0.73476%0.757SS**  trans-53.8107.1162-83.4179.7139.700108Y63 M67Y63-E65 PolarHBondContact O-N 3.1Å; E65-M67 HydrophobicContact CB-CG 4.44Å; E65-M67 PolarHBondContact O-N 2.95Å
66M40.3Very low44Very low178 Ų178139.3 Ų139.388%0.87775%0.754SS**  trans-6981159.4-67.7-130.6-80.600107.6Y64 G68Y64-M66 PolarHBondContact O-N 2.71Å; M66-G68 PolarHBondContact O-N 3.21Å
67M45.6Very low43.1Very low176 Ų176145.6 Ų145.687%0.86777%0.765SS**  trans-65.185.1160-80.7-85.7-83.300107.6E65E65-M67 HydrophobicContact CB-CG 4.44Å; E65-M67 PolarHBondContact O-N 2.95Å
68G45.8Very low42.2Very low60 Ų60145.6 Ų145.662%0.61977%0.768SS**  trans171.270.4178.800000112M66 C70M66-G68 PolarHBondContact O-N 3.21Å; G68-C70 PolarHBondContact O-N 2.73Å
69T47.6Very low41.9Very low111 Ų111142.9 Ų142.968%0.68177%0.766SS**  trans-67.5103.5162.7580000107.9R71T69-R71 PolarHBondContact O-N 3.16Å
70C43.9Very low41.4Very low137 Ų137146.3 Ų146.393%0.92677%0.77SS**  trans-68.1101.8168.3-151.80000107.4G68G68-C70 PolarHBondContact O-N 2.73Å
71R45.1Very low41.1Very low202 Ų202148.8 Ų148.876%0.76278%0.783SS**  trans-97.2122.5174.7-64.5-172.5-175.9-152.30.3108T69 V73T69-R71 PolarHBondContact O-N 3.16Å; R71-V73 PolarHBondContact O-N 2.85Å
72M46.3Very low40.8Very low168 Ų168148.5 Ų148.583%0.82879%0.789SS**  trans-57.6106.8165.1-75.2-82.9-74.500108.5C74M72-C74 VanDerWaalsContact C-N 3.25Å; M72-C74 PolarHBondContact O-N 2.82Å; M72-C74 VanDerWaalsContact O-N 3.11Å
73V42.2Very low40.4Very low127 Ų127144.8 Ų144.877%0.7779%0.793SS**  trans-80.184.5164.9-176.80000106.2R71 D75R71-V73 PolarHBondContact O-N 2.85Å; V73-D75 PolarHBondContact O-N 2.83Å
74C41.4Very low40.4Very low93 Ų93139.2 Ų139.263%0.62879%0.79SS**  trans-77108.4159-65.80000106.5M72 P76M72-C74 VanDerWaalsContact C-N 3.25Å; M72-C74 PolarHBondContact O-N 2.82Å; M72-C74 VanDerWaalsContact O-N 3.11Å; C74-P76 VanDerWaalsContact O-CD 3.26Å; C74-P76 WeakPolarHBondContact O-CD 3.36Å
75D39.3Very low40.1Very low150 Ų150135.7 Ų135.780%0.80279%0.791SS**  trans-53.3118.9167.1-96.9-25.1000109.4V73 Y77V73-D75 PolarHBondContact O-N 2.83Å; D75-Y77 PolarHBondContact O-N 2.82Å
76P43.4Very low40Very low109 Ų109133.1 Ų133.171%0.70880%0.797SS**  trans-83103.8170.430.5-25.7000108.4C74 S78C74-P76 VanDerWaalsContact O-CD 3.26Å; C74-P76 WeakPolarHBondContact O-CD 3.36Å; P76-S78 PolarHBondContact O-N 2.76Å
77Y37.6Very low39.8Very low228 Ų228133.8 Ų133.889%0.89480%0.8SS**  trans-52.1112.2162.1-144-95.9000108.1D75 P79D75-Y77 PolarHBondContact O-N 2.82Å; Y77-P79 VanDerWaalsContact O-CD 3.26Å; Y77-P79 WeakPolarHBondContact O-CD 3.29Å
78S35.7Very low39.3Very low109 Ų109134 Ų13476%0.76280%0.799SS**PPolyproline II helixtrans-71.6122.2-174.1-59.90000111.6P76P76-S78 PolarHBondContact O-N 2.76Å
79P39.5Very low38.7Very low120 Ų120137.1 Ų137.178%0.77981%0.806SS**PPolyproline II helixtrans-92.9126.2156.414.55.1000109Y77Y77-P79 VanDerWaalsContact O-CD 3.26Å; Y77-P79 WeakPolarHBondContact O-CD 3.29Å
80K35.2Very low38.1Very low202 Ų202137.6 Ų137.688%0.87881%0.814SS**PPolyproline II helixtrans-56.1147.6175.1-77.1177.6176.4175.50111.9
81P36.8Very low37.8Very low132 Ų132139.6 Ų139.686%0.85781%0.809SS**PPolyproline II helixtrans-81.9136.9-175.631.8-33.2000112.4
82G34.7Very low37.3Very low77 Ų77136.9 Ų136.979%0.79481%0.81SS**  trans-148.794.7170.300000110.8
83G32.5Very low36.9Very low79 Ų79135.2 Ų135.281%0.81481%0.809SS**  trans55.9109.6144.600000120.3
84A36.3Very low36.7Very low94 Ų94136.2 Ų136.278%0.77781%0.81SS**  153.8103.411200000112.2
85T34.7Very low36.4Very low140 Ų140135.2 Ų135.286%0.85982%0.815SS**  trans14.1124.7138.1560000119.5
86A35.5Very low36.4Very low104 Ų104135.3 Ų135.386%0.8682%0.821SS**  -173150.111100000111.2
87M37.8Very low36.4Very low191 Ų191134.4 Ų134.494%0.94182%0.823SS**  trans-70.4164.5-167.2-72.1163.213000115.6
88E34.8Very low36.9Very low181 Ų181129.5 Ų129.585%0.84682%0.819SS**  trans-45.6155.3166.5-65.4173.9118.200114.3
89V31.7Very low37.2Very low125 Ų125132.3 Ų132.376%0.75882%0.824SS**  179.1124109.4157.40000109.3Q91V89-Q91 HydrophobicContact CG1-CG 4.22Å
90S35.3Very low37.9Very low121 Ų121131.8 Ų131.885%0.84682%0.821SS**  trans-73.7122.4163-67.70000110.1
91Q39.4Very low38.5Very low179 Ų179128.3 Ų128.384%0.83682%0.819SS**  trans-147.2127.7149.2-72.5-164.6-27.900110.8V89V89-Q91 HydrophobicContact CG1-CG 4.22Å
92N34.3Very low39Very low146 Ų146131 Ų13178%0.78182%0.822SS**  trans-95.9125176.9-171.821.4000108.6
93V37.5Very low39.9Very low133 Ų133132.5 Ų132.581%0.80683%0.827SS**  trans-142.9124.6164.1-171.90000109.3
94N37.8Very low41.1Very low148 Ų148137.6 Ų137.679%0.79183%0.83SS**  trans-71145178.1-75.5-35.1000113.1
95G35.2Very low42.3Very low71 Ų71136.4 Ų136.473%0.73283%0.827SS**  trans114.6110.3140.800000116.8
96V39.2Very low43.5Very low153 Ų153136.5 Ų136.593%0.92783%0.828SS**  168.6136.4126.41640000109
97A43.5Very low45.2Very low89 Ų89143 Ų14374%0.73683%0.83SS**  trans-81.8173-174.700000113.3
98P47.9Very low46.8Very low125 Ų125136.9 Ų136.981%0.81282%0.815SS**  trans-96.7164.7-13938.3-39000116.8
99L41.8Very low48.8Very low168 Ų168136.9 Ų136.988%0.8882%0.816SS**  trans-116.7151.2166.4-76167.7000111
100P53.6Low51Low110 Ų110136.4 Ų136.471%0.71482%0.815SS**PPolyproline II helixtrans-80.3156.3-164.231.3-34.8000114.5
101P48.7Very low52.8Low128 Ų128134 Ų13483%0.83181%0.809SS**PPolyproline II helixtrans-82.5129.6-170.831.7-32.3000112.5
102M46.7Very low54.8Low188 Ų188137 Ų13793%0.92681%0.813SS**PPolyproline II helixtrans-76.2131.7162.6-74.2-173.5-116.800109.5Q104M102-Q104 PolarHBondContact O-N 3.23Å; M102-Q104 VanDerWaalsContact O-N 3.13Å
103A53.8Low57Low109 Ų109136 Ų13690%0.90181%0.814SS**  trans-66.3103.8-171.600000112.8
104Q57.3Low58.9Low186 Ų186133 Ų13387%0.86981%0.811SS**  trans-88.7115162.7-167.8163.3-7.600108M102 T106M102-Q104 PolarHBondContact O-N 3.23Å; M102-Q104 VanDerWaalsContact O-N 3.13Å; Q104-T106 PolarHBondContact O-N 2.99Å
105G61.1Low61Low70 Ų70135.5 Ų135.572%0.72282%0.815SS**PPolyproline II helixtrans-53.8134.9179.600000111.3R107G105-R107 PolarHBondContact O-N 2.72Å
106T60.6Low63.3Low142 Ų142138.2 Ų138.287%0.87182%0.819SS**PPolyproline II helixtrans-61.6126.3-176.546.60000110.1Q104 G108Q104-T106 PolarHBondContact O-N 2.99Å; T106-G108 PolarHBondContact O-N 3.25Å
107R72.1Confident65.1Low241 Ų241133.9 Ų133.991%0.90981%0.806SS**PPolyproline II helixtrans-56.1126169.9-178178.1-179.1176.80.3107.6G105 E109G105-R107 PolarHBondContact O-N 2.72Å; R107-E109 PolarHBondContact O-N 2.85Å
108G69.8Low67.1Low61 Ų61136 Ų13663%0.62981%0.811SS**PPolyproline II helixtrans-52.7140-179.700000111.7T106T106-G108 PolarHBondContact O-N 3.25Å
109E76.9Confident68.8Low182 Ų182141.7 Ų141.785%0.8582%0.817SS**PPolyproline II helixtrans-48.6130.1178.4-75.9-85.8135.900110.5R107 G111R107-E109 PolarHBondContact O-N 2.85Å; E109-G111 PolarHBondContact O-N 3.26Å
110P79.2Confident70.6Confident114 Ų114136 Ų13674%0.7480%0.799SS**PPolyproline II helixtrans-52.3135.1172.8-25.334.1000110.8R112P110-R112 PolarHBondContact O-N 2.89Å
111G72.9Confident72Confident71 Ų71136.6 Ų136.673%0.73280%0.803SS**PPolyproline II helixtrans-54.5139.9177.100000110.9E109E109-G111 PolarHBondContact O-N 3.26Å
112R80.4Confident73.8Confident241 Ų241136.6 Ų136.691%0.90980%0.803SS**PPolyproline II helixtrans-56.6133.5-177.8-67.5-177.3-179-175.70109.9P110 G114P110-R112 PolarHBondContact O-N 2.89Å; R112-G114 PolarHBondContact O-N 3.26Å
113P81.8Confident75.3Confident125 Ų125131.1 Ų131.181%0.81279%0.794SS**PPolyproline II helixtrans-51.6140.2174.5-26.934.4000111.2
114G76.7Confident76.8Confident71 Ų71134.8 Ų134.873%0.73279%0.793SS**PPolyproline II helixtrans-57.1148.317500000111R112R112-G114 PolarHBondContact O-N 3.26Å
115K81.8Confident78.2Confident201 Ų201131.9 Ų131.987%0.87479%0.79SS**PPolyproline II helixtrans-59.4137177.5-66-175.2-179.5-176.20109.3G117K115-G117 PolarHBondContact O-N 3.01Å
116P83.1Confident79Confident128 Ų128131.6 Ų131.683%0.83179%0.787SS**PPolyproline II helixtrans-51.8139.5173.1-26.534.5000110.9
117G78.5Confident80.2Confident62 Ų62130.7 Ų130.764%0.63978%0.784SS**PPolyproline II helixtrans-60.7157.5175.600000111.6K115 R119K115-G117 PolarHBondContact O-N 3.01Å; G117-R119 PolarHBondContact O-N 2.84Å
118P84.3Confident80.9Confident132 Ų132125.2 Ų125.286%0.85778%0.78SS**PPolyproline II helixtrans-59.2140.3175.825.8-32.9000110.1G120P118-G120 PolarHBondContact O-N 3.45Å
119R83.2Confident81.4Confident245 Ų245125.3 Ų125.393%0.92578%0.781SS**PPolyproline II helixtrans-59.3132.5174.1-170.4176.7178.6-174.5-0.4108.5G117G117-R119 PolarHBondContact O-N 2.84Å
120G79.8Confident81.8Confident49 Ų49122.9 Ų122.951%0.50578%0.78SS.*PPolyproline II helixtrans-58.6158.2174.900000111.8P118P118-G120 PolarHBondContact O-N 3.45Å
121P84.2Confident82Confident122 Ų122128.8 Ų128.879%0.79279%0.788SS**PPolyproline II helixtrans-58.7147.7177.625.2-33.1000110.7G123P121-G123 PolarHBondContact O-N 3.3Å
122P84.7Confident82Confident128 Ų128127.8 Ų127.883%0.83178%0.778SS**PPolyproline II helixtrans-53.2138.4172.1-24.134000110.9
123G79.7Confident81.9Confident73 Ų73122.2 Ų122.275%0.75377%0.773SS**PPolyproline II helixtrans-62.2152.3173.100000111.1P121P121-G123 PolarHBondContact O-N 3.3Å
124E84.1Confident81.9Confident187 Ų187122.1 Ų122.187%0.87477%0.772SS**PPolyproline II helixtrans-60.3142.7177.1-64.8-172.7162.800110.8G126E124-G126 PolarHBondContact O-N 3.46Å
125P86.6Confident81.5Confident125 Ų125122.2 Ų122.281%0.81277%0.773SS**PPolyproline II helixtrans-54.4136.5173.9-24.734.1000111.2
126G79.8Confident81.2Confident63 Ų63121.9 Ų121.965%0.64977%0.774SS**PPolyproline II helixtrans-61154174.700000111.7E124E124-G126 PolarHBondContact O-N 3.46Å
127P84.6Confident80.5Confident123 Ų123127.1 Ų127.180%0.79978%0.778SS**PPolyproline II helixtrans-60.5150.2176.526.1-33.8000110.8G129P127-G129 PolarHBondContact O-N 3.05Å
128P87.5Confident78.9Confident127 Ų127127 Ų12783%0.82578%0.776SS**PPolyproline II helixtrans-53.1138.9173.4-25.234000111.5
129G79.1Confident77.5Confident63 Ų63127.2 Ų127.265%0.64977%0.77SS**PPolyproline II helixtrans-59.6153.5175.200000111.7P127P127-G129 PolarHBondContact O-N 3.05Å
130P84.9Confident76Confident130 Ų130122.9 Ų122.984%0.84477%0.766SS**PPolyproline II helixtrans-59.5145.4176.125.9-33.4000110.5G132P130-G132 PolarHBondContact O-N 2.7Å
131R84.4Confident74.3Confident239 Ų239129.7 Ų129.790%0.90278%0.781SS**PPolyproline II helixtrans-57.3132172.7-177.2177.7171.7-177.2-1.5109.1
132G73.3Confident72.5Confident50 Ų50132.1 Ų132.152%0.51579%0.787SS.*PPolyproline II helixtrans-57.4155.4175.700000112.2P130P130-G132 PolarHBondContact O-N 2.7Å
133P78.8Confident70.1Confident124 Ų124129.9 Ų129.981%0.80578%0.779SS**PPolyproline II helixtrans-57.7146.2178.424.1-32.6000110.9G135P133-G135 PolarHBondContact O-N 3.38Å
134P81.9Confident68.3Low123 Ų123134.2 Ų134.280%0.79978%0.777SS**PPolyproline II helixtrans-53.5133.6170.7-23.333.5000110.4
135G66.9Low66Low73 Ų73129.8 Ų129.875%0.75376%0.763SS**PPolyproline II helixtrans-58.9145177.900000111.5P133 R137P133-G135 PolarHBondContact O-N 3.38Å; G135-R137 PolarHBondContact O-N 3.47Å
136E76.2Confident63.6Low193 Ų193128.1 Ų128.190%0.90276%0.76SS**PPolyproline II helixtrans-60.1135.4177.8-65.1-165.9148.800110.5G138E136-G138 PolarHBondContact O-N 2.68Å; E136-G138 VanDerWaalsContact O-N 3.16Å
137R68.5Low61.8Low238 Ų238132.7 Ų132.790%0.89877%0.769SS**  trans-69.2109.5174.1178.5-172.1-61.9-173.30.5107.4G135 D139G135-R137 PolarHBondContact O-N 3.47Å; R137-D139 PolarHBondContact O-N 2.95Å; R137-D139 VanDerWaalsContact O-N 3.1Å
138G45.5Very low59.8Low59 Ų59131.7 Ų131.761%0.60877%0.771SS**  trans-52.8114.3179.200000112.6E136E136-G138 PolarHBondContact O-N 2.68Å; E136-G138 VanDerWaalsContact O-N 3.16Å
139D53.6Low57.2Low137 Ų137129 Ų12973%0.73377%0.766SS**  trans-73.9113.4157.344-35.9000108.2R137 K141R137-D139 PolarHBondContact O-N 2.95Å; R137-D139 VanDerWaalsContact O-N 3.1Å; D139-K141 PolarHBondContact O-N 2.94Å
140N51.8Low55.4Low155 Ų155131.1 Ų131.183%0.82978%0.778SS**THydrogen-bonded Turntrans-6969.3-175.9-70.4-21.3000112.7
141K43.7Very low53.1Low192 Ų192130.1 Ų130.184%0.83578%0.78SS**THydrogen-bonded Turntrans-119.12.1164.6-81.8-169.9176-177.70114.7D139D139-K141 PolarHBondContact O-N 2.94Å
142L46.8Very low50.7Low173 Ų173122.4 Ų122.491%0.90678%0.775SS**  trans-130.961.8169.3-67.4170000109.7F144L142-F144 PolarHBondContact O-N 3.11Å
143A34Very low49Very low80 Ų80125.2 Ų125.266%0.66179%0.793SS**  trans-70.899.4166.300000108.3T145A143-T145 VanDerWaalsContact C-N 3.26Å; A143-T145 PolarHBondContact O-N 3.04Å
144F42.1Very low46.8Very low164 Ų164122.9 Ų122.972%0.71979%0.792SS**  trans-70.490.6163.8-137-89.6000106.7L142 A146L142-F144 PolarHBondContact O-N 3.11Å; F144-A146 PolarHBondContact O-N 2.87Å
145T35.1Very low44.5Very low94 Ų94124.5 Ų124.558%0.57779%0.794SS**  trans-62.9104.3172.9-410000107.8A143 L147A143-T145 VanDerWaalsContact C-N 3.26Å; A143-T145 PolarHBondContact O-N 3.04Å; T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 HydrophobicContact CG2-CG 4.49Å; T145-L147 PolarHBondContact O-N 2.91Å
146A37.7Very low43.4Very low91 Ų91126.5 Ų126.575%0.75279%0.792SS**  trans-65.295.4165.300000107.5F144 A148F144-A146 PolarHBondContact O-N 2.87Å; A146-A148 VanDerWaalsContact C-N 3.3Å; A146-A148 PolarHBondContact O-N 2.88Å; A146-A148 VanDerWaalsContact O-N 3.12Å
147L42.4Very low41.6Very low159 Ų159124.4 Ų124.483%0.83279%0.791SS**  trans-79.687.6166.9-86.1158.1000107.7T145 G149T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 HydrophobicContact CG2-CG 4.49Å; T145-L147 PolarHBondContact O-N 2.91Å; L147-G149 PolarHBondContact O-N 2.87Å
148A40.8Very low40.4Very low102 Ų102122.5 Ų122.584%0.84379%0.793SS**  trans-71.4112.8153.600000107.9A146A146-A148 VanDerWaalsContact C-N 3.3Å; A146-A148 PolarHBondContact O-N 2.88Å; A146-A148 VanDerWaalsContact O-N 3.12Å
149G34.8Very low39.9Very low71 Ų71123.2 Ų123.273%0.73280%0.8SS**  trans-146.3125.4160.700000106.9L147L147-G149 PolarHBondContact O-N 2.87Å
150A41.3Very low39.2Very low107 Ų107124.7 Ų124.788%0.88481%0.808SS**  cis-157.9141.119.600000111.9
151A36.6Very low38.8Very low109 Ų109121 Ų12190%0.90181%0.806SS**SBendtrans-163.8109.6136.900000109.1
152G32.2Very low39Very low76 Ų76116.7 Ų116.778%0.78481%0.806SS**  trans127.1100160.400000117.1
153A37.7Very low38.7Very low110 Ų110115 Ų11591%0.90980%0.799SS**  trans55.2125.2140.200000121.7
154G34.4Very low39.5Very low75 Ų75117.3 Ų117.377%0.77381%0.809SS**  109110.3129.400000118.3
155D33.7Very low39.4Very low157 Ų157114.1 Ų114.184%0.8480%0.804SS**  trans90.9140.5139.6-138.63.7000121.3
156T42.1Very low40.1Very low115 Ų115116.1 Ų116.171%0.70682%0.815SS**  trans-69.5142.5-172.350.60000114.5
157V39.7Very low41Very low148 Ų148117.1 Ų117.190%0.89782%0.817SS**  trans-157.5125.8139.4178.20000109.3
158E42Very low42.3Very low198 Ų198111.5 Ų111.593%0.92580%0.797SS**  trans-78.5143.4166-67.7179.214300111.3
159G36.8Very low44.4Very low74 Ų74113.2 Ų113.276%0.76378%0.783SS**  trans174.3101.5169.100000115.2
160D38Very low47.2Very low169 Ų169116 Ų11690%0.90477%0.772SS**  trans45.5111.1151.1-74.2-16.4000122
161G42.9Very low49.9Very low76 Ų76111.5 Ų111.578%0.78473%0.732SS**  63.5100108.800000119.5
162A48.2Very low52.8Low102 Ų102107.7 Ų107.784%0.84370%0.701SS**  trans70.979.4151.700000117.7
163N41.1Very low56Low139 Ų139104.4 Ų104.474%0.74367%0.665SS**  -150.287.5125.9-135.81.4000109.3T165N163-T165 HydrophobicContact CB-CG2 4.03Å; N163-T165 VanDerWaalsContact CG-CG2 3.46Å; N163-T165 WeakPolarHBondContact ND2-CG2 3.24Å; N163-T165 PolarHBondContact O-N 3.18Å
164S49.6Very low58.9Low127 Ų127103 Ų10389%0.88864%0.637SS**  trans-71.368.2164.7-152.70000107.5V166S164-V166 PolarHBondContact O-N 3.48Å; S164-V166 VanDerWaalsContact O-N 3.17Å
165T41.1Very low62Low98 Ų9899.4 Ų99.460%0.60160%0.6SS**  trans-74.3103.717250.10000105.9N163 S167N163-T165 HydrophobicContact CB-CG2 4.03Å; N163-T165 VanDerWaalsContact CG-CG2 3.46Å; N163-T165 WeakPolarHBondContact ND2-CG2 3.24Å; N163-T165 PolarHBondContact O-N 3.18Å; T165-S167 PolarHBondContact O-N 2.67Å
166V49.7Very low65.1Low135 Ų13591.9 Ų91.982%0.81856%0.56SS**  trans-12.9101.9169.7-178.40000110.8S164 G168S164-V166 PolarHBondContact O-N 3.48Å; S164-V166 VanDerWaalsContact O-N 3.17Å; V166-G168 PolarHBondContact O-N 2.98Å
167S56.1Low67.7Low112 Ų11286.4 Ų86.478%0.78353%0.526SS*.  trans-65.484167.460.20000106.2T165 Y169T165-S167 PolarHBondContact O-N 2.67Å; S167-Y169 PolarHBondContact O-N 2.79Å
168G69.8Low70.3Confident41 Ų4183.6 Ų83.642%0.42350%0.502SS..  trans-55.8136.8-177.900000108.8V166 R170V166-G168 PolarHBondContact O-N 2.98Å; G168-R170 PolarHBondContact O-N 3.48Å
169Y84.3Confident72.6Confident138 Ų13879.1 Ų79.154%0.54148%0.484SS..  trans-62.6107.2172.4-62-79.1000108.1S167 V211 I295 P298S167-Y169 PolarHBondContact O-N 2.79Å; Y169-V211 HydrophobicContact CD1-CB 4.25Å; Y169-V211 HydrophobicContact CD1-CG1 3.69Å; Y169-V211 HydrophobicContact CD1-CG2 3.56Å; Y169-V211 HydrophobicContact CD2-CG1 4.08Å; Y169-V211 HydrophobicContact CE1-CB 4.5Å; Y169-V211 HydrophobicContact CE1-CG1 3.85Å; Y169-V211 HydrophobicContact CE1-CG2 3.77Å; Y169-V211 HydrophobicContact CE2-CG1 4.23Å; Y169-V211 HydrophobicContact CG-CG1 3.79Å; Y169-V211 HydrophobicContact CG-CG2 4.38Å; Y169-I295 WeakPolarHBondContact O-CG2 3.28Å; Y169-P298 HydrophobicContact CD2-CB 3.51Å; Y169-P298 HydrophobicContact CD2-CG 3.75Å; Y169-P298 HydrophobicContact CE2-CB 3.94Å; Y169-P298 HydrophobicContact CE2-CG 4.31Å; Y169-P298 HydrophobicContact CG-CB 4.35Å
170R93.4Very high75Confident131 Ų13178.7 Ų78.749%0.49447%0.468SS..  trans-104.199.1176.5-60.8-176.6-176-163.91108.1G168 L196G168-R170 PolarHBondContact O-N 3.48Å; R170-L196 HydrophobicContact CB-CD2 3.62Å; R170-L196 HydrophobicContact CB-CG 4.27Å; R170-L196 WeakPolarHBondContact O-CG 3.35Å
171I97.9Very high77.2Confident11 Ų1172 Ų726%0.05643%0.432CS..  trans-127119.4-179.2-59.4162.8000107.7L196 H199 F207 V211 Y215 F294 I295I171-L196 WeakPolarHBondContact CA-O 3.23Å; I171-H199 VanDerWaalsContact CD1-CE1 3.46Å; I171-H199 WeakPolarHBondContact CD1-CE1 3.2Å; I171-H199 HydrophobicContact CG2-CB 4.26Å; I171-F207 HydrophobicContact CG2-CE2 3.75Å; I171-F207 HydrophobicContact CG2-CZ 3.87Å; I171-V211 HydrophobicContact CD1-CB 3.97Å; I171-V211 HydrophobicContact CD1-CG2 3.9Å; I171-Y215 HydrophobicContact CD1-CE1 4.44Å; I171-Y215 HydrophobicContact CG2-CE1 4.2Å; I171-F294 VanDerWaalsContact O-CA 3.24Å; I171-F294 WeakPolarHBondContact O-CA 3.28Å; I171-F294 WeakPolarHBondContact O-CB 3.12Å; I171-I295 HydrophobicContact CB-CB 4.21Å; I171-I295 HydrophobicContact CB-CG2 3.88Å; I171-I295 HydrophobicContact CD1-CD1 4.33Å; I171-I295 HydrophobicContact CG1-CG2 4.44Å; I171-I295 PolarHBondContact O-N 3.41Å
172A98.6Very high78.8Confident30 Ų3074 Ų7425%0.24842%0.42CS..EExtended strand (participates in β ladder)trans-157.6141.1177.400000110.5N195 L196 G293 F294A172-N195 CarbonylContact O-C 3.49Å; A172-L196 PolarHBondContact N-O 3.46Å; A172-L196 PolarHBondContact O-N 2.78Å; A172-G293 CarbonylContact C-O 3.54Å; A172-G293 WeakPolarHBondContact CA-O 3.29Å; A172-F294 HydrophobicContact CB-CB 3.8Å
173F98.9Very high79.8Confident6 Ų670.8 Ų70.83%0.02640%0.397CS..EExtended strand (participates in β ladder)trans-138.1151.7172.475.7-79.6000111.7V175 T194 Y200 F207 F217 F291 S292 G293F173-V175 HydrophobicContact CD2-CG1 4.23Å; F173-V175 HydrophobicContact CD2-CG2 4.14Å; F173-V175 HydrophobicContact CE2-CG2 4.21Å; F173-T194 CarbonylContact C-O 3.52Å; F173-T194 WeakPolarHBondContact CA-O 3.42Å; F173-T194 WeakPolarHBondContact CB-O 3.43Å; F173-Y200 AromaticContact CD2-CD2 3.87Å; F173-Y200 HydrophobicContact CD2-CD2 3.87Å; F173-Y200 AromaticContact CD2-CG 3.95Å; F173-Y200 HydrophobicContact CD2-CG 3.95Å; F173-Y200 AromaticContact CE2-CD2 3.85Å; F173-Y200 HydrophobicContact CE2-CD2 3.85Å; F173-Y200 HydrophobicContact CE2-CE2 4.4Å; F173-Y200 HydrophobicContact CE2-CG 4.4Å; F173-Y200 HydrophobicContact CG-CG 4.39Å; F173-F207 AromaticContact CD1-CD2 3.53Å; F173-F207 HydrophobicContact CD1-CD2 3.53Å; F173-F207 AromaticContact CD1-CE2 3.99Å; F173-F207 HydrophobicContact CD1-CE2 3.99Å; F173-F207 HydrophobicContact CD1-CG 4.45Å; F173-F207 HydrophobicContact CE1-CB 4.11Å; F173-F207 AromaticContact CE1-CD2 3.49Å; F173-F207 HydrophobicContact CE1-CD2 3.49Å; F173-F207 VanDerWaalsContact CE1-CD2 3.49Å; F173-F207 HydrophobicContact CE1-CE2 4.16Å; F173-F207 AromaticContact CE1-CG 3.99Å; F173-F207 HydrophobicContact CE1-CG 3.99Å; F173-F207 HydrophobicContact CG-CD2 4.49Å; F173-F207 HydrophobicContact CZ-CB 4.3Å; F173-F207 HydrophobicContact CZ-CD2 4.43Å; F173-F217 HydrophobicContact CE1-CD1 4.07Å; F173-F217 AromaticContact CE1-CE1 3.83Å; F173-F217 HydrophobicContact CE1-CE1 3.83Å; F173-F217 HydrophobicContact CZ-CD1 4.11Å; F173-F217 HydrophobicContact CZ-CE1 4.21Å; F173-F291 HydrophobicContact CE2-CB 4.49Å; F173-F291 AromaticContact CE2-CD1 3.56Å; F173-F291 HydrophobicContact CE2-CD1 3.56Å; F173-F291 HydrophobicContact CE2-CD2 4.37Å; F173-F291 AromaticContact CE2-CE1 3.77Å; F173-F291 HydrophobicContact CE2-CE1 3.77Å; F173-F291 AromaticContact CE2-CG 3.87Å; F173-F291 HydrophobicContact CE2-CG 3.87Å; F173-F291 HydrophobicContact CE2-CZ 4.26Å; F173-F291 AromaticContact CZ-CD1 3.85Å; F173-F291 HydrophobicContact CZ-CD1 3.85Å; F173-F291 HydrophobicContact CZ-CD2 4.28Å; F173-F291 AromaticContact CZ-CE1 3.58Å; F173-F291 HydrophobicContact CZ-CE1 3.58Å; F173-F291 HydrophobicContact CZ-CE2 4.04Å; F173-F291 HydrophobicContact CZ-CG 4.19Å; F173-F291 AromaticContact CZ-CZ 3.68Å; F173-F291 HydrophobicContact CZ-CZ 3.68Å; F173-S292 VanDerWaalsContact O-CA 3.26Å; F173-S292 WeakPolarHBondContact O-CA 3.48Å; F173-S292 WeakPolarHBondContact O-CB 3.32Å; F173-G293 WeakPolarHBondContact CD1-O 3.4Å; F173-G293 VanDerWaalsContact CE1-CA 3.49Å; F173-G293 VanDerWaalsContact CE1-N 3.29Å; F173-G293 PolarHBondContact N-O 3.41Å; F173-G293 PolarHBondContact O-N 3.14Å; F173-G293 VanDerWaalsContact O-N 3.11Å
174Y98.9Very high81.4Confident80 Ų8071.6 Ų71.631%0.31439%0.391SS..EExtended strand (participates in β ladder)trans-145.4122.7170.6173.7-126.4000108.5I193 T194 T290Y174-I193 HydrophobicContact CD1-CB 3.73Å; Y174-I193 HydrophobicContact CD1-CD1 3.94Å; Y174-I193 HydrophobicContact CD1-CG1 4.21Å; Y174-I193 HydrophobicContact CD1-CG2 3.87Å; Y174-I193 HydrophobicContact CE1-CB 4.25Å; Y174-I193 HydrophobicContact CE1-CD1 3.88Å; Y174-I193 HydrophobicContact CE1-CG1 4.27Å; Y174-I193 HydrophobicContact CE1-CG2 4.32Å; Y174-I193 PolarHBondContact O-N 2.8Å; Y174-T194 PolarHBondContact N-O 2.83Å; Y174-T194 PolarHBondContact O-N 3.34Å; Y174-T290 HydrophobicContact CE2-CG2 3.8Å; Y174-T290 WeakPolarHBondContact OH-CG2 3.22Å
175V98.8Very high83Confident0 Ų070.3 Ų70.30%037%0.371CS..EExtended strand (participates in β ladder)trans-134.4143.1-174-62.30000110.9F173 F189 D191 V192 Y200 T290 F291F173-V175 HydrophobicContact CD2-CG1 4.23Å; F173-V175 HydrophobicContact CD2-CG2 4.14Å; F173-V175 HydrophobicContact CE2-CG2 4.21Å; V175-F189 HydrophobicContact CB-CB 3.81Å; V175-F189 HydrophobicContact CG2-CB 3.38Å; V175-F189 HydrophobicContact CG2-CD2 4.32Å; V175-F189 HydrophobicContact CG2-CG 3.88Å; V175-D191 CarbonylContact C-O 3.48Å; V175-D191 VanDerWaalsContact CA-O 3.28Å; V175-D191 WeakPolarHBondContact CA-O 3.18Å; V175-V192 HydrophobicContact CG1-CB 4.33Å; V175-V192 HydrophobicContact CG1-CG1 4.31Å; V175-V192 HydrophobicContact CG1-CG2 4.01Å; V175-Y200 HydrophobicContact CB-CE1 4.19Å; V175-Y200 HydrophobicContact CG1-CD1 3.61Å; V175-Y200 HydrophobicContact CG1-CE1 3.59Å; V175-Y200 HydrophobicContact CG1-CG 4.22Å; V175-Y200 HydrophobicContact CG2-CE1 4.11Å; V175-Y200 HydrophobicContact CG2-CE2 4.12Å; V175-T290 VanDerWaalsContact O-CA 3.24Å; V175-T290 WeakPolarHBondContact O-CA 3.48Å; V175-F291 HydrophobicContact CG2-CB 3.93Å; V175-F291 VanDerWaalsContact CG2-O 3.29Å; V175-F291 WeakPolarHBondContact CG2-O 3.39Å; V175-F291 PolarHBondContact N-O 3.01Å; V175-F291 PolarHBondContact O-N 2.85Å
176G98.4Very high85.6Confident0 Ų067 Ų670%035%0.35CS..EExtended strand (participates in β ladder)trans-110176.9172.300000111.7F189 D190 D191 N286 S289G176-F189 CarbonylContact O-C 3.23Å; G176-F189 WeakPolarHBondContact O-CA 3.42Å; G176-F189 VanDerWaalsContact O-CB 3.3Å; G176-F189 WeakPolarHBondContact O-CB 3.3Å; G176-D190 PolarHBondContact O-N 3.32Å; G176-D191 PolarHBondContact N-O 2.74Å; G176-D191 WeakPolarHBondContact O-CB 3.28Å; G176-D191 PolarHBondContact O-N 3.3Å; G176-N286 WeakPolarHBondContact CA-O 3.38Å; G176-S289 CarbonylContact C-O 3.41Å; G176-S289 WeakPolarHBondContact CA-O 3.01Å
177L97.8Very high87.8Confident0 Ų060.5 Ų60.50%031%0.311CS..  trans-112.9121.7-179.7-173.268.4000109.5N179 L187 K188 F189 A280 G282 N286 S289L177-N179 WeakPolarHBondContact CD1-O 3.45Å; L177-N179 WeakPolarHBondContact CG-O 3.31Å; L177-L187 HydrophobicContact CD1-CD1 3.85Å; L177-L187 HydrophobicContact CD2-CD1 4.11Å; L177-K188 WeakPolarHBondContact CD1-O 3.48Å; L177-F189 HydrophobicContact CB-CD1 4.09Å; L177-A280 HydrophobicContact CD2-CB 3.72Å; L177-G282 WeakPolarHBondContact O-CA 3.41Å; L177-N286 PolarHBondContact N-O 3.4Å; L177-N286 VanDerWaalsContact N-O 3.15Å; L177-N286 WeakPolarHBondContact O-CA 3.04Å; L177-N286 VanDerWaalsContact O-CB 3.22Å; L177-N286 WeakPolarHBondContact O-CB 3.29Å; L177-S289 PolarHBondContact N-O 3.47Å; L177-S289 VanDerWaalsContact N-O 3.14Å
178K95.1Very high89.8Confident89 Ų8959 Ų5939%0.38729%0.29SS..SBendtrans-88.6-54.1172.6-52.8-172.2167.8121.30110.7D190 D191 N286K178-D190 WeakPolarHBondContact CA-OD1 3.38Å; K178-D190 WeakPolarHBondContact CB-OD1 3.34Å; K178-D190 PolarHBondContact N-OD1 3.04Å; K178-D190 PolarHBondContact NZ-O 2.98Å; K178-D191 HydrophobicContact CD-CB 4.34Å; K178-D191 WeakPolarHBondContact CE-OD1 3.27Å; K178-D191 HydrophobicContact CG-CB 3.67Å; K178-D191 IonicContact NZ-OD1 2.74Å; K178-D191 PolarHBondContact NZ-OD1 2.85Å; K178-N286 HydrophobicContact CG-CB 4.24Å
179N89.3Confident91.1Very high103 Ų10357 Ų5755%0.55127%0.27SS*.SBendtrans-94.1125.1-173.6-68-60.5000109.8L177 H181 D190L177-N179 WeakPolarHBondContact CD1-O 3.45Å; L177-N179 WeakPolarHBondContact CG-O 3.31Å; N179-H181 PolarHBondContact O-N 2.93Å; N179-D190 PolarHBondContact ND2-OD2 2.83Å
180P87.1Confident91.7Very high66 Ų6652 Ų5243%0.42925%0.253SS..  trans-56.5135.9172.9-2433.9000110.8K279 A280P180-K279 HydrophobicContact CB-CD 4.35Å; P180-K279 HydrophobicContact CB-CG 4.48Å; P180-A280 VanDerWaalsContact CA-O 3.27Å; P180-A280 WeakPolarHBondContact CA-O 3.48Å
181H83.9Confident91.9Very high29 Ų2946.8 Ų46.813%0.13424%0.235CC..BIsolated β-bridgetrans-120.5133.4-172.7-153.2-82.3000109.6N179 E185 V186 L187 K279 A280N179-H181 PolarHBondContact O-N 2.93Å; H181-E185 IonicContact CE1-OE1 3.51Å; H181-E185 PolarHBondContact CE1-OE1 2.7Å; H181-E185 IonicContact ND1-OE1 3.82Å; H181-E185 IonicContact NE2-OE1 3.58Å; H181-V186 PolarHBondContact CE1-O 3.3Å; H181-L187 HydrophobicContact CB-CD1 3.35Å; H181-K279 WeakPolarHBondContact O-CA 3.41Å; H181-K279 WeakPolarHBondContact O-CG 3.39Å; H181-A280 PolarHBondContact N-O 3.44Å; H181-A280 PolarHBondContact O-N 3.02Å
182E76.9Confident91.9Very high116 Ų11648.8 Ų48.854%0.54225%0.247SC..  trans-118.1160.1178.5-68.1-178.9-162.900110K279E182-K279 HydrophobicContact CG-CB 3.85Å; E182-K279 HydrophobicContact CG-CD 3.52Å; E182-K279 HydrophobicContact CG-CG 3.49Å; E182-K279 VanDerWaalsContact CG-CG 3.49Å; E182-K279 WeakPolarHBondContact OE1-CD 3.3Å; E182-K279 WeakPolarHBondContact OE1-CE 3.29Å; E182-K279 IonicContact OE1-NZ 2.76Å; E182-K279 PolarHBondContact OE1-NZ 3.27Å
183G69Low91.9Very high35 Ų3551 Ų5136%0.36125%0.254SS..SBendtrans101.4174.6167.500000115.6E185G183-E185 PolarHBondContact O-N 3.37Å; G183-E185 VanDerWaalsContact O-N 3.14Å
184Y74.8Confident91.9Very high156 Ų15653.7 Ų53.761%0.61227%0.271SS*.SBendtrans-86.242.1-175.7-72.5-96000112.7K274 D276Y184-K274 VanDerWaalsContact O-CE 3.29Å; Y184-K274 WeakPolarHBondContact O-CE 3.32Å; Y184-D276 HydrophobicContact CD1-CB 4.37Å; Y184-D276 HydrophobicContact CE1-CB 4.16Å; Y184-D276 WeakPolarHBondContact CE1-OD1 3.29Å; Y184-D276 WeakPolarHBondContact CE1-OD2 3.25Å; Y184-D276 PolarHBondContact OH-OD1 2.92Å
185E83.1Confident91.9Very high100 Ų10051.5 Ų51.547%0.46727%0.265SS..SBendtrans-128.7176.3-171.854.7171.2-179.200112.1H181 G183 L187 L275H181-E185 IonicContact CE1-OE1 3.51Å; H181-E185 PolarHBondContact CE1-OE1 2.7Å; H181-E185 IonicContact ND1-OE1 3.82Å; H181-E185 IonicContact NE2-OE1 3.58Å; G183-E185 PolarHBondContact O-N 3.37Å; G183-E185 VanDerWaalsContact O-N 3.14Å; E185-L187 PolarHBondContact O-N 2.69Å; E185-L275 PolarHBondContact O-N 3.33Å
186V95.8Very high91.9Very high28 Ų2855.3 Ų55.317%0.1729%0.285CS..BIsolated β-bridgetrans-62.4127.2177.5-178.30000108.9H181 K188 T204 K206 Y272H181-V186 PolarHBondContact CE1-O 3.3Å; V186-K188 PolarHBondContact O-N 2.94Å; V186-T204 VanDerWaalsContact CG1-O 3.31Å; V186-T204 WeakPolarHBondContact CG1-O 3.14Å; V186-K206 HydrophobicContact CG1-CG 4.33Å; V186-Y272 HydrophobicContact CB-CD2 4.27Å; V186-Y272 HydrophobicContact CG1-CD2 3.89Å; V186-Y272 HydrophobicContact CG1-CG 4.03Å; V186-Y272 HydrophobicContact CG2-CD2 3.63Å; V186-Y272 HydrophobicContact CG2-CE2 3.71Å; V186-Y272 HydrophobicContact CG2-CG 4.24Å
187L96.9Very high91.7Very high0 Ų057.2 Ų57.20%031%0.305CS..  trans-74.8112.4175178.955.1000109.8L177 H181 E185 F189 V221 V273 L275 A280L177-L187 HydrophobicContact CD1-CD1 3.85Å; L177-L187 HydrophobicContact CD2-CD1 4.11Å; H181-L187 HydrophobicContact CB-CD1 3.35Å; E185-L187 PolarHBondContact O-N 2.69Å; L187-F189 HydrophobicContact CB-CE2 4.14Å; L187-F189 HydrophobicContact CD2-CE1 3.8Å; L187-F189 HydrophobicContact CD2-CE2 3.73Å; L187-F189 HydrophobicContact CD2-CZ 3.3Å; L187-F189 HydrophobicContact CG-CD2 4.17Å; L187-F189 HydrophobicContact CG-CE1 4.31Å; L187-F189 HydrophobicContact CG-CE2 3.73Å; L187-F189 HydrophobicContact CG-CZ 3.81Å; L187-F189 WeakPolarHBondContact O-CD2 3.43Å; L187-F189 PolarHBondContact O-N 3.44Å; L187-V221 HydrophobicContact CD2-CG1 3.93Å; L187-V221 HydrophobicContact CD2-CG2 3.98Å; L187-V273 HydrophobicContact CB-CB 4.46Å; L187-V273 PolarHBondContact N-O 3.5Å; L187-L275 HydrophobicContact CB-CD1 4.38Å; L187-L275 HydrophobicContact CB-CG 4.17Å; L187-L275 HydrophobicContact CD1-CD1 4.07Å; L187-L275 HydrophobicContact CD2-CD1 4.2Å; L187-L275 HydrophobicContact CD2-CD2 4.04Å; L187-L275 HydrophobicContact CD2-CG 4.33Å; L187-L275 HydrophobicContact CG-CD1 4.45Å; L187-A280 HydrophobicContact CD1-CB 3.92Å; L187-A280 HydrophobicContact CD2-CB 3.87Å
188K96.8Very high91.7Very high79 Ų7963.3 Ų63.334%0.34334%0.337SS..  trans-88.194.5180-60.5176.2-175.3-179.50110.9L177 V186 D190 S203L177-K188 WeakPolarHBondContact CD1-O 3.48Å; V186-K188 PolarHBondContact O-N 2.94Å; K188-D190 PolarHBondContact O-N 3.18Å; K188-S203 WeakPolarHBondContact CD-O 3.29Å; K188-S203 WeakPolarHBondContact CE-O 3.46Å; K188-S203 PolarHBondContact NZ-O 3.15Å
189F97.6Very high91.9Very high0 Ų059.9 Ų59.90%032%0.323CS..  trans-71.6112.1169.8-57.6-95000109V175 G176 L177 L187 Y200 V221 V273 F291V175-F189 HydrophobicContact CB-CB 3.81Å; V175-F189 HydrophobicContact CG2-CB 3.38Å; V175-F189 HydrophobicContact CG2-CD2 4.32Å; V175-F189 HydrophobicContact CG2-CG 3.88Å; G176-F189 CarbonylContact O-C 3.23Å; G176-F189 WeakPolarHBondContact O-CA 3.42Å; G176-F189 VanDerWaalsContact O-CB 3.3Å; G176-F189 WeakPolarHBondContact O-CB 3.3Å; L177-F189 HydrophobicContact CB-CD1 4.09Å; L187-F189 HydrophobicContact CB-CE2 4.14Å; L187-F189 HydrophobicContact CD2-CE1 3.8Å; L187-F189 HydrophobicContact CD2-CE2 3.73Å; L187-F189 HydrophobicContact CD2-CZ 3.3Å; L187-F189 HydrophobicContact CG-CD2 4.17Å; L187-F189 HydrophobicContact CG-CE1 4.31Å; L187-F189 HydrophobicContact CG-CE2 3.73Å; L187-F189 HydrophobicContact CG-CZ 3.81Å; L187-F189 WeakPolarHBondContact O-CD2 3.43Å; L187-F189 PolarHBondContact O-N 3.44Å; F189-Y200 WeakPolarHBondContact CA-OH 3.33Å; F189-Y200 VanDerWaalsContact CB-OH 3.31Å; F189-Y200 WeakPolarHBondContact CB-OH 3.42Å; F189-Y200 PolarHBondContact N-OH 2.83Å; F189-Y200 VanDerWaalsContact N-OH 3.16Å; F189-Y200 WeakPolarHBondContact O-CE1 3.45Å; F189-Y200 PolarHBondContact O-OH 3.11Å; F189-V221 HydrophobicContact CZ-CG2 4.2Å; F189-V273 HydrophobicContact CE2-CB 4.06Å; F189-V273 HydrophobicContact CE2-CG2 4.1Å; F189-V273 HydrophobicContact CZ-CG2 4.46Å; F189-F291 HydrophobicContact CD1-CB 4.31Å; F189-F291 HydrophobicContact CD2-CB 3.72Å; F189-F291 HydrophobicContact CD2-CD1 4.21Å; F189-F291 HydrophobicContact CD2-CG 4.41Å; F189-F291 HydrophobicContact CE1-CB 4.1Å; F189-F291 HydrophobicContact CE2-CB 3.47Å; F189-F291 VanDerWaalsContact CE2-CB 3.47Å; F189-F291 HydrophobicContact CE2-CD1 4.17Å; F189-F291 HydrophobicContact CE2-CG 4.11Å; F189-F291 HydrophobicContact CG-CB 4.14Å; F189-F291 HydrophobicContact CZ-CB 3.67Å
190D96.6Very high92.3Very high32 Ų3255.3 Ų55.317%0.17130%0.298CS..  trans-110.68.7-169.462.4-18.4000113.5G176 K178 N179 K188G176-D190 PolarHBondContact O-N 3.32Å; K178-D190 WeakPolarHBondContact CA-OD1 3.38Å; K178-D190 WeakPolarHBondContact CB-OD1 3.34Å; K178-D190 PolarHBondContact N-OD1 3.04Å; K178-D190 PolarHBondContact NZ-O 2.98Å; N179-D190 PolarHBondContact ND2-OD2 2.83Å; K188-D190 PolarHBondContact O-N 3.18Å
191D98Very high92.9Very high23 Ų2355.2 Ų55.212%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-106.188.8168.1-162.730.5000111.1V175 G176 K178 I193 N286 K287V175-D191 CarbonylContact C-O 3.48Å; V175-D191 VanDerWaalsContact CA-O 3.28Å; V175-D191 WeakPolarHBondContact CA-O 3.18Å; G176-D191 PolarHBondContact N-O 2.74Å; G176-D191 WeakPolarHBondContact O-CB 3.28Å; G176-D191 PolarHBondContact O-N 3.3Å; K178-D191 HydrophobicContact CD-CB 4.34Å; K178-D191 WeakPolarHBondContact CE-OD1 3.27Å; K178-D191 HydrophobicContact CG-CB 3.67Å; K178-D191 IonicContact NZ-OD1 2.74Å; K178-D191 PolarHBondContact NZ-OD1 2.85Å; D191-I193 WeakPolarHBondContact O-CD1 3.41Å; D191-I193 PolarHBondContact O-N 2.82Å; D191-N286 HydrophobicContact CB-CB 4.14Å; D191-N286 WeakPolarHBondContact OD2-CB 3.35Å; D191-K287 IonicContact OD2-NZ 2.64Å; D191-K287 PolarHBondContact OD2-NZ 2.91Å
192V98.4Very high93.4Very high52 Ų5258.6 Ų58.632%0.31531%0.309SS..EExtended strand (participates in β ladder)trans-80.2115.2-179.8-177.50000111V175 N195 Y200 Q202V175-V192 HydrophobicContact CG1-CB 4.33Å; V175-V192 HydrophobicContact CG1-CG1 4.31Å; V175-V192 HydrophobicContact CG1-CG2 4.01Å; V192-N195 HydrophobicContact CG1-CB 3.72Å; V192-Y200 HydrophobicContact CG2-CD1 4.42Å; V192-Y200 HydrophobicContact CG2-CE1 4.42Å; V192-Q202 HydrophobicContact CG2-CB 3.99Å
193I98.5Very high94.3Very high76 Ų7656.8 Ų56.839%0.3931%0.309SS..EExtended strand (participates in β ladder)trans-99-39.5175.8-59.2101.5000111Y174 D191 K287Y174-I193 HydrophobicContact CD1-CB 3.73Å; Y174-I193 HydrophobicContact CD1-CD1 3.94Å; Y174-I193 HydrophobicContact CD1-CG1 4.21Å; Y174-I193 HydrophobicContact CD1-CG2 3.87Å; Y174-I193 HydrophobicContact CE1-CB 4.25Å; Y174-I193 HydrophobicContact CE1-CD1 3.88Å; Y174-I193 HydrophobicContact CE1-CG1 4.27Å; Y174-I193 HydrophobicContact CE1-CG2 4.32Å; Y174-I193 PolarHBondContact O-N 2.8Å; D191-I193 WeakPolarHBondContact O-CD1 3.41Å; D191-I193 PolarHBondContact O-N 2.82Å; I193-K287 HydrophobicContact CD1-CD 4.28Å
194T98.6Very high95.7Very high63 Ų6357.6 Ų57.639%0.38731%0.307SS..EExtended strand (participates in β ladder)trans-140.5136.9176-58.90000109.1F173 Y174F173-T194 CarbonylContact C-O 3.52Å; F173-T194 WeakPolarHBondContact CA-O 3.42Å; F173-T194 WeakPolarHBondContact CB-O 3.43Å; Y174-T194 PolarHBondContact N-O 2.83Å; Y174-T194 PolarHBondContact O-N 3.34Å
195N98.3Very high96.7Very high34 Ų3450.1 Ų50.118%0.18228%0.278CS..EExtended strand (participates in β ladder)trans-152.156.8175.8-163.58.2000110.9A172 V192 G197 N198 H199 Y200A172-N195 CarbonylContact O-C 3.49Å; V192-N195 HydrophobicContact CG1-CB 3.72Å; N195-G197 PolarHBondContact O-N 2.8Å; N195-N198 PolarHBondContact O-N 2.82Å; N195-N198 PolarHBondContact O-OD1 3.22Å; N195-N198 WeakPolarHBondContact OD1-CA 3.3Å; N195-H199 PolarHBondContact OD1-N 2.8Å; N195-Y200 PolarHBondContact ND2-O 3.5Å; N195-Y200 PolarHBondContact OD1-N 2.84Å
196L98.1Very high97.5Very high81 Ų8147.3 Ų47.342%0.42426%0.264SS..EExtended strand (participates in β ladder)trans-66124.1178.5-172.664.9000109.7R170 I171 A172 N198R170-L196 HydrophobicContact CB-CD2 3.62Å; R170-L196 HydrophobicContact CB-CG 4.27Å; R170-L196 WeakPolarHBondContact O-CG 3.35Å; I171-L196 WeakPolarHBondContact CA-O 3.23Å; A172-L196 PolarHBondContact N-O 3.46Å; A172-L196 PolarHBondContact O-N 2.78Å; L196-N198 VanDerWaalsContact C-N 3.34Å
197G95.8Very high97.6Very high40 Ų4046 Ų4641%0.41226%0.256SS..THydrogen-bonded Turntrans91.9-17.1-172.100000113.9N195 H199N195-G197 PolarHBondContact O-N 2.8Å; G197-H199 PolarHBondContact O-CD2 3.3Å
198N97.4Very high97.7Very high128 Ų12847.7 Ų47.768%0.68427%0.267SS*.SBendtrans5940-177.1-57.6-55.6000114.2N195 L196N195-N198 PolarHBondContact O-N 2.82Å; N195-N198 PolarHBondContact O-OD1 3.22Å; N195-N198 WeakPolarHBondContact OD1-CA 3.3Å; L196-N198 VanDerWaalsContact C-N 3.34Å
199H98.3Very high97.8Very high17 Ų1744 Ų448%0.07925%0.25CS..  trans-88.8-18.4179.1-74.8-144.3000113I171 N195 G197 F207 T208 H210I171-H199 VanDerWaalsContact CD1-CE1 3.46Å; I171-H199 WeakPolarHBondContact CD1-CE1 3.2Å; I171-H199 HydrophobicContact CG2-CB 4.26Å; N195-H199 PolarHBondContact OD1-N 2.8Å; G197-H199 PolarHBondContact O-CD2 3.3Å; H199-F207 HydrophobicContact CB-CD2 3.71Å; H199-F207 HydrophobicContact CB-CE2 3.3Å; H199-F207 HydrophobicContact CB-CZ 3.85Å; H199-F207 AromaticContact ND1-CZ 3.83Å; H199-F207 CarbonylContact O-C 3.58Å; H199-F207 WeakPolarHBondContact O-CA 2.78Å; H199-T208 WeakPolarHBondContact CB-O 3.48Å; H199-T208 PolarHBondContact ND1-O 2.91Å; H199-T208 PolarHBondContact O-N 3.04Å; H199-H210 AromaticContact CD2-ND1 3.52Å; H199-H210 AromaticContact CE1-CG 3.82Å; H199-H210 AromaticContact CE1-ND1 3.56Å; H199-H210 AromaticContact CG-ND1 3.85Å; H199-H210 AromaticContact ND1-ND1 3.84Å; H199-H210 AromaticContact NE2-CG 3.97Å; H199-H210 AromaticContact NE2-ND1 3.35Å; H199-H210 PolarHBondContact NE2-ND1 3.38Å
200Y98.8Very high97.7Very high7 Ų749 Ų493%0.02727%0.274CS..EExtended strand (participates in β ladder)trans-90.7131.8172.1-179.2-93000110.8F173 V175 F189 V192 N195 Q202 G205 K206 F291F173-Y200 AromaticContact CD2-CD2 3.87Å; F173-Y200 HydrophobicContact CD2-CD2 3.87Å; F173-Y200 AromaticContact CD2-CG 3.95Å; F173-Y200 HydrophobicContact CD2-CG 3.95Å; F173-Y200 AromaticContact CE2-CD2 3.85Å; F173-Y200 HydrophobicContact CE2-CD2 3.85Å; F173-Y200 HydrophobicContact CE2-CE2 4.4Å; F173-Y200 HydrophobicContact CE2-CG 4.4Å; F173-Y200 HydrophobicContact CG-CG 4.39Å; V175-Y200 HydrophobicContact CB-CE1 4.19Å; V175-Y200 HydrophobicContact CG1-CD1 3.61Å; V175-Y200 HydrophobicContact CG1-CE1 3.59Å; V175-Y200 HydrophobicContact CG1-CG 4.22Å; V175-Y200 HydrophobicContact CG2-CE1 4.11Å; V175-Y200 HydrophobicContact CG2-CE2 4.12Å; F189-Y200 WeakPolarHBondContact CA-OH 3.33Å; F189-Y200 VanDerWaalsContact CB-OH 3.31Å; F189-Y200 WeakPolarHBondContact CB-OH 3.42Å; F189-Y200 PolarHBondContact N-OH 2.83Å; F189-Y200 VanDerWaalsContact N-OH 3.16Å; F189-Y200 WeakPolarHBondContact O-CE1 3.45Å; F189-Y200 PolarHBondContact O-OH 3.11Å; V192-Y200 HydrophobicContact CG2-CD1 4.42Å; V192-Y200 HydrophobicContact CG2-CE1 4.42Å; N195-Y200 PolarHBondContact ND2-O 3.5Å; N195-Y200 PolarHBondContact OD1-N 2.84Å; Y200-Q202 HydrophobicContact CE1-CB 4.08Å; Y200-G205 WeakPolarHBondContact OH-CA 3.43Å; Y200-K206 WeakPolarHBondContact CA-O 3.27Å; Y200-F291 HydrophobicContact CE2-CD1 4.19Å
201D98.4Very high97.8Very high63 Ų6348.7 Ų48.734%0.33727%0.273SS..EExtended strand (participates in β ladder)trans-113.3111.8175.3172.712.2000110.8S203 T204 G205 K206D201-S203 VanDerWaalsContact CG-OG 3.25Å; D201-S203 PolarHBondContact O-N 3.36Å; D201-S203 WeakPolarHBondContact OD1-CB 3.14Å; D201-S203 PolarHBondContact OD1-N 3.36Å; D201-S203 PolarHBondContact OD1-OG 3.02Å; D201-S203 PolarHBondContact OD2-OG 3.41Å; D201-S203 VanDerWaalsContact OD2-OG 3.05Å; D201-T204 WeakPolarHBondContact CB-OG1 3.25Å; D201-T204 PolarHBondContact O-N 3.34Å; D201-T204 PolarHBondContact O-OG1 3.11Å; D201-T204 VanDerWaalsContact OD2-CG2 3.23Å; D201-T204 WeakPolarHBondContact OD2-CG2 3.36Å; D201-T204 PolarHBondContact OD2-OG1 2.97Å; D201-G205 PolarHBondContact O-N 2.89Å; D201-K206 PolarHBondContact N-O 2.82Å; D201-K206 PolarHBondContact O-N 2.64Å
202Q96.4Very high97.8Very high101 Ų10149.4 Ų49.447%0.47228%0.28SS..THydrogen-bonded Turntrans-64.8-22.9-179.768.5178.730.100113.9V192 Y200V192-Q202 HydrophobicContact CG2-CB 3.99Å; Y200-Q202 HydrophobicContact CE1-CB 4.08Å
203S95.6Very high97.7Very high77 Ų7746.9 Ų46.954%0.53827%0.265SS..THydrogen-bonded Turntrans-76.5-28.1-179.274.50000112.2K188 D201K188-S203 WeakPolarHBondContact CD-O 3.29Å; K188-S203 WeakPolarHBondContact CE-O 3.46Å; K188-S203 PolarHBondContact NZ-O 3.15Å; D201-S203 VanDerWaalsContact CG-OG 3.25Å; D201-S203 PolarHBondContact O-N 3.36Å; D201-S203 WeakPolarHBondContact OD1-CB 3.14Å; D201-S203 PolarHBondContact OD1-N 3.36Å; D201-S203 PolarHBondContact OD1-OG 3.02Å; D201-S203 PolarHBondContact OD2-OG 3.41Å; D201-S203 VanDerWaalsContact OD2-OG 3.05Å
204T96.6Very high97.7Very high52 Ų5245.7 Ų45.732%0.31926%0.259SS..THydrogen-bonded Turntrans-104.4-23.7179.757.30000113.1V186 D201 K206V186-T204 VanDerWaalsContact CG1-O 3.31Å; V186-T204 WeakPolarHBondContact CG1-O 3.14Å; D201-T204 WeakPolarHBondContact CB-OG1 3.25Å; D201-T204 PolarHBondContact O-N 3.34Å; D201-T204 PolarHBondContact O-OG1 3.11Å; D201-T204 VanDerWaalsContact OD2-CG2 3.23Å; D201-T204 WeakPolarHBondContact OD2-CG2 3.36Å; D201-T204 PolarHBondContact OD2-OG1 2.97Å; T204-K206 VanDerWaalsContact C-N 3.34Å
205G97.4Very high97.8Very high0 Ų042.7 Ų42.70%024%0.24CC..THydrogen-bonded Turntrans80.315.1-175.200000113.7Y200 D201Y200-G205 WeakPolarHBondContact OH-CA 3.43Å; D201-G205 PolarHBondContact O-N 2.89Å
206K98.6Very high97.8Very high41 Ų4143.6 Ų43.618%0.17824%0.242CC..EExtended strand (participates in β ladder)trans-115.9144.2-169.6-55.3-174.5-177.6179.20112V186 Y200 D201 T204 E270 Y272V186-K206 HydrophobicContact CG1-CG 4.33Å; Y200-K206 WeakPolarHBondContact CA-O 3.27Å; D201-K206 PolarHBondContact N-O 2.82Å; D201-K206 PolarHBondContact O-N 2.64Å; T204-K206 VanDerWaalsContact C-N 3.34Å; K206-E270 HydrophobicContact CD-CB 4.27Å; K206-E270 HydrophobicContact CD-CG 4.27Å; K206-E270 VanDerWaalsContact CD-OE1 3.29Å; K206-E270 WeakPolarHBondContact CD-OE1 3.46Å; K206-E270 IonicContact NZ-OE1 3.15Å; K206-E270 PolarHBondContact NZ-OE1 2.99Å; K206-E270 IonicContact NZ-OE2 3.88Å; K206-E270 PolarHBondContact NZ-OE2 3.49Å; K206-Y272 HydrophobicContact CD-CD1 4.12Å; K206-Y272 HydrophobicContact CG-CD1 4.02Å; K206-Y272 HydrophobicContact CG-CG 4.22Å
207F98.8Very high97.8Very high0 Ų039.7 Ų39.70%022%0.222CC..EExtended strand (participates in β ladder)trans-92125.3160.1174.6-87.5000108.8I171 F173 H199 C209 Y215 F217 L265 E270 V271I171-F207 HydrophobicContact CG2-CE2 3.75Å; I171-F207 HydrophobicContact CG2-CZ 3.87Å; F173-F207 AromaticContact CD1-CD2 3.53Å; F173-F207 HydrophobicContact CD1-CD2 3.53Å; F173-F207 AromaticContact CD1-CE2 3.99Å; F173-F207 HydrophobicContact CD1-CE2 3.99Å; F173-F207 HydrophobicContact CD1-CG 4.45Å; F173-F207 HydrophobicContact CE1-CB 4.11Å; F173-F207 AromaticContact CE1-CD2 3.49Å; F173-F207 HydrophobicContact CE1-CD2 3.49Å; F173-F207 VanDerWaalsContact CE1-CD2 3.49Å; F173-F207 HydrophobicContact CE1-CE2 4.16Å; F173-F207 AromaticContact CE1-CG 3.99Å; F173-F207 HydrophobicContact CE1-CG 3.99Å; F173-F207 HydrophobicContact CG-CD2 4.49Å; F173-F207 HydrophobicContact CZ-CB 4.3Å; F173-F207 HydrophobicContact CZ-CD2 4.43Å; H199-F207 HydrophobicContact CB-CD2 3.71Å; H199-F207 HydrophobicContact CB-CE2 3.3Å; H199-F207 HydrophobicContact CB-CZ 3.85Å; H199-F207 AromaticContact ND1-CZ 3.83Å; H199-F207 CarbonylContact O-C 3.58Å; H199-F207 WeakPolarHBondContact O-CA 2.78Å; F207-C209 HydrophobicContact CE1-CB 4.32Å; F207-Y215 HydrophobicContact CE1-CD1 4.22Å; F207-Y215 HydrophobicContact CE1-CE1 4.09Å; F207-Y215 AromaticContact CZ-CD1 3.94Å; F207-Y215 HydrophobicContact CZ-CD1 3.94Å; F207-Y215 AromaticContact CZ-CE1 3.6Å; F207-Y215 HydrophobicContact CZ-CE1 3.6Å; F207-F217 HydrophobicContact CB-CE1 4.36Å; F207-F217 AromaticContact CD1-CE1 3.93Å; F207-F217 HydrophobicContact CD1-CE1 3.93Å; F207-F217 AromaticContact CD1-CZ 3.85Å; F207-F217 HydrophobicContact CD1-CZ 3.85Å; F207-F217 HydrophobicContact CE1-CE1 4.38Å; F207-F217 HydrophobicContact CE1-CZ 4.01Å; F207-F217 HydrophobicContact CG-CE1 4.02Å; F207-F217 HydrophobicContact CG-CZ 4.41Å; F207-L265 HydrophobicContact CD1-CD1 4.31Å; F207-L265 HydrophobicContact CE1-CD1 3.92Å; F207-E270 CarbonylContact O-C 3.53Å; F207-E270 WeakPolarHBondContact O-CA 3.48Å; F207-V271 HydrophobicContact CB-CB 4.49Å; F207-V271 HydrophobicContact CD1-CB 4.49Å; F207-V271 PolarHBondContact N-O 2.98Å; F207-V271 PolarHBondContact O-N 3.41Å
208T98.8Very high98Very high36 Ų3638.9 Ų38.922%0.22121%0.209CC..EExtended strand (participates in β ladder)trans-107.6122.9174.9-55.30000109.7H199H199-T208 WeakPolarHBondContact CB-O 3.48Å; H199-T208 PolarHBondContact ND1-O 2.91Å; H199-T208 PolarHBondContact O-N 3.04Å
209C98.3Very high98Very high0 Ų032.8 Ų32.80%018%0.177CC..  trans-70.7129.4176.5-174.10000110.3F207 V211 L265 D266 G268 D269F207-C209 HydrophobicContact CE1-CB 4.32Å; C209-V211 PolarHBondContact SG-O 2.86Å; C209-L265 HydrophobicContact CB-CB 4.01Å; C209-L265 HydrophobicContact CB-CD1 4.14Å; C209-D266 VanDerWaalsContact CB-O 3.28Å; C209-D266 WeakPolarHBondContact CB-O 3.32Å; C209-D266 PolarHBondContact SG-O 2.84Å; C209-D266 VanDerWaalsContact SG-O 3.34Å; C209-G268 PolarHBondContact O-N 2.54Å; C209-D269 HydrophobicContact CB-CB 4.23Å; C209-D269 WeakPolarHBondContact CB-O 3.37Å; C209-D269 PolarHBondContact N-O 3.46Å
210H96.8Very high98.1Very high107 Ų10735.9 Ų35.950%0.49519%0.191SC..SBendtrans-117.7-2.5169.1-54.5133.9000112.8H199H199-H210 AromaticContact CD2-ND1 3.52Å; H199-H210 AromaticContact CE1-CG 3.82Å; H199-H210 AromaticContact CE1-ND1 3.56Å; H199-H210 AromaticContact CG-ND1 3.85Å; H199-H210 AromaticContact ND1-ND1 3.84Å; H199-H210 AromaticContact NE2-CG 3.97Å; H199-H210 AromaticContact NE2-ND1 3.35Å; H199-H210 PolarHBondContact NE2-ND1 3.38Å
211V97.2Very high98Very high24 Ų2435.5 Ų35.515%0.14519%0.189CC..SBendtrans-137.5112.5-178.31790000107.2Y169 I171 C209 Y215 I295 P298Y169-V211 HydrophobicContact CD1-CB 4.25Å; Y169-V211 HydrophobicContact CD1-CG1 3.69Å; Y169-V211 HydrophobicContact CD1-CG2 3.56Å; Y169-V211 HydrophobicContact CD2-CG1 4.08Å; Y169-V211 HydrophobicContact CE1-CB 4.5Å; Y169-V211 HydrophobicContact CE1-CG1 3.85Å; Y169-V211 HydrophobicContact CE1-CG2 3.77Å; Y169-V211 HydrophobicContact CE2-CG1 4.23Å; Y169-V211 HydrophobicContact CG-CG1 3.79Å; Y169-V211 HydrophobicContact CG-CG2 4.38Å; I171-V211 HydrophobicContact CD1-CB 3.97Å; I171-V211 HydrophobicContact CD1-CG2 3.9Å; C209-V211 PolarHBondContact SG-O 2.86Å; V211-Y215 WeakPolarHBondContact O-CE2 3.34Å; V211-Y215 PolarHBondContact O-OH 3.45Å; V211-I295 HydrophobicContact CG1-CD1 4.25Å; V211-P298 HydrophobicContact CG1-CB 4.2Å
212S98.2Very high97.9Very high38 Ų3833.6 Ų33.627%0.26618%0.179SC..  trans-60.5141.2178.6-58.70000111.1L265 D266 S267 D299S212-L265 CarbonylContact C-O 3.48Å; S212-L265 WeakPolarHBondContact CA-O 3.41Å; S212-D266 WeakPolarHBondContact OG-CA 3.37Å; S212-S267 PolarHBondContact OG-N 2.88Å; S212-S267 VanDerWaalsContact OG-N 3.1Å; S212-D299 VanDerWaalsContact CB-OD2 3.25Å; S212-D299 WeakPolarHBondContact CB-OD2 3.36Å; S212-D299 PolarHBondContact O-N 3.12Å
213G98Very high97.7Very high0 Ų028.8 Ų28.80%016%0.156CC..EExtended strand (participates in β ladder)trans163.4-173.2-176.700000114.6Y215 H264 L265 Y297 D299G213-Y215 WeakPolarHBondContact O-CD2 3.43Å; G213-H264 WeakPolarHBondContact O-CA 3.25Å; G213-L265 PolarHBondContact N-O 2.82Å; G213-L265 PolarHBondContact O-N 2.98Å; G213-Y297 CarbonylContact C-O 3.52Å; G213-Y297 VanDerWaalsContact CA-O 3.26Å; G213-Y297 WeakPolarHBondContact CA-O 3.32Å; G213-D299 WeakPolarHBondContact CA-OD1 3.26Å; G213-D299 PolarHBondContact N-OD2 3.34Å
214I98.6Very high97.5Very high51 Ų5129.9 Ų29.926%0.26215%0.149SC..EExtended strand (participates in β ladder)trans-94127.1175.9-54.4-61.6000109.7V262 H264 L296 Y297I214-V262 HydrophobicContact CG2-CG1 3.38Å; I214-H264 HydrophobicContact CD1-CB 3.68Å; I214-L296 HydrophobicContact CG2-CB 4.37Å; I214-L296 HydrophobicContact CG2-CD1 4.01Å; I214-L296 WeakPolarHBondContact O-CB 3.37Å; I214-L296 PolarHBondContact O-N 3.14Å; I214-Y297 HydrophobicContact CB-CD2 4.48Å; I214-Y297 PolarHBondContact N-O 3.34Å; I214-Y297 PolarHBondContact O-N 3.43Å
215Y98.8Very high97Very high0 Ų027.7 Ų27.70%014%0.136CC..EExtended strand (participates in β ladder)trans-123.4146.1-178.5-70.4-100.1000111.2I171 F207 V211 G213 F217 V262 L263 L265 F294 I295I171-Y215 HydrophobicContact CD1-CE1 4.44Å; I171-Y215 HydrophobicContact CG2-CE1 4.2Å; F207-Y215 HydrophobicContact CE1-CD1 4.22Å; F207-Y215 HydrophobicContact CE1-CE1 4.09Å; F207-Y215 AromaticContact CZ-CD1 3.94Å; F207-Y215 HydrophobicContact CZ-CD1 3.94Å; F207-Y215 AromaticContact CZ-CE1 3.6Å; F207-Y215 HydrophobicContact CZ-CE1 3.6Å; V211-Y215 WeakPolarHBondContact O-CE2 3.34Å; V211-Y215 PolarHBondContact O-OH 3.45Å; G213-Y215 WeakPolarHBondContact O-CD2 3.43Å; Y215-F217 HydrophobicContact CD1-CZ 4.4Å; Y215-F217 HydrophobicContact CG-CE2 4.32Å; Y215-F217 HydrophobicContact CG-CZ 4.29Å; Y215-V262 CarbonylContact O-C 3.58Å; Y215-V262 VanDerWaalsContact O-CA 3.29Å; Y215-V262 WeakPolarHBondContact O-CA 3.38Å; Y215-L263 PolarHBondContact N-O 3.41Å; Y215-L263 PolarHBondContact O-N 3.35Å; Y215-L265 HydrophobicContact CD2-CB 3.93Å; Y215-L265 HydrophobicContact CD2-CD1 3.72Å; Y215-L265 HydrophobicContact CD2-CG 3.86Å; Y215-L265 HydrophobicContact CE2-CB 4.09Å; Y215-L265 HydrophobicContact CE2-CD1 4.22Å; Y215-L265 HydrophobicContact CE2-CG 4.45Å; Y215-L265 HydrophobicContact CG-CD1 3.9Å; Y215-L265 HydrophobicContact CG-CG 4.4Å; Y215-F294 WeakPolarHBondContact CA-O 3.34Å; Y215-I295 HydrophobicContact CD1-CB 3.9Å; Y215-I295 HydrophobicContact CD1-CG1 4.34Å; Y215-I295 HydrophobicContact CE1-CB 3.54Å; Y215-I295 HydrophobicContact CE1-CD1 4.31Å; Y215-I295 HydrophobicContact CE1-CG1 3.93Å; Y215-I295 HydrophobicContact CE2-CD1 4.35Å; Y215-I295 HydrophobicContact CE2-CG1 4.23Å
216F98.9Very high96.4Very high52 Ų5229 Ų2923%0.22815%0.15CC..EExtended strand (participates in β ladder)trans-101.5139.4167.4175.2-98000109.9T218 V262 G293 F294 L296F216-T218 HydrophobicContact CE1-CG2 3.67Å; F216-T218 HydrophobicContact CZ-CG2 4.07Å; F216-V262 HydrophobicContact CD2-CG2 3.96Å; F216-G293 CarbonylContact O-C 3.54Å; F216-G293 WeakPolarHBondContact O-CA 3Å; F216-F294 HydrophobicContact CB-CE1 4.26Å; F216-F294 HydrophobicContact CB-CE2 4.12Å; F216-F294 HydrophobicContact CB-CZ 3.96Å; F216-F294 HydrophobicContact CD1-CD1 4.14Å; F216-F294 AromaticContact CD1-CE1 3.38Å; F216-F294 HydrophobicContact CD1-CE1 3.38Å; F216-F294 AromaticContact CD1-CZ 3.65Å; F216-F294 HydrophobicContact CD1-CZ 3.65Å; F216-F294 HydrophobicContact CE1-CE1 4.1Å; F216-F294 HydrophobicContact CE1-CZ 4.46Å; F216-F294 HydrophobicContact CG-CE1 4.18Å; F216-F294 HydrophobicContact CG-CZ 4.04Å; F216-F294 PolarHBondContact N-O 3Å; F216-F294 PolarHBondContact O-N 3.38Å; F216-L296 HydrophobicContact CB-CD1 4.17Å; F216-L296 HydrophobicContact CB-CG 4.34Å
217F98.9Very high95.6Very high0 Ų032.4 Ų32.40%017%0.17CC..EExtended strand (participates in β ladder)trans-133.3142.2173.3-63.2-82.7000110.4F173 F207 Y215 L235 S260 A261 L263 L265 V271 F291 S292F173-F217 HydrophobicContact CE1-CD1 4.07Å; F173-F217 AromaticContact CE1-CE1 3.83Å; F173-F217 HydrophobicContact CE1-CE1 3.83Å; F173-F217 HydrophobicContact CZ-CD1 4.11Å; F173-F217 HydrophobicContact CZ-CE1 4.21Å; F207-F217 HydrophobicContact CB-CE1 4.36Å; F207-F217 AromaticContact CD1-CE1 3.93Å; F207-F217 HydrophobicContact CD1-CE1 3.93Å; F207-F217 AromaticContact CD1-CZ 3.85Å; F207-F217 HydrophobicContact CD1-CZ 3.85Å; F207-F217 HydrophobicContact CE1-CE1 4.38Å; F207-F217 HydrophobicContact CE1-CZ 4.01Å; F207-F217 HydrophobicContact CG-CE1 4.02Å; F207-F217 HydrophobicContact CG-CZ 4.41Å; Y215-F217 HydrophobicContact CD1-CZ 4.4Å; Y215-F217 HydrophobicContact CG-CE2 4.32Å; Y215-F217 HydrophobicContact CG-CZ 4.29Å; F217-L235 HydrophobicContact CB-CD1 4.32Å; F217-L235 HydrophobicContact CB-CD2 3.9Å; F217-S260 CarbonylContact O-C 3.59Å; F217-S260 WeakPolarHBondContact O-CA 3.31Å; F217-S260 VanDerWaalsContact O-CB 3.3Å; F217-S260 WeakPolarHBondContact O-CB 3.43Å; F217-A261 PolarHBondContact N-O 3.39Å; F217-A261 PolarHBondContact O-N 3.14Å; F217-L263 HydrophobicContact CD2-CD1 4.18Å; F217-L263 HydrophobicContact CE2-CD1 4.45Å; F217-L265 HydrophobicContact CE2-CD1 3.81Å; F217-L265 HydrophobicContact CZ-CD1 3.68Å; F217-V271 HydrophobicContact CD1-CG1 4.04Å; F217-V271 HydrophobicContact CD2-CG1 4.23Å; F217-V271 HydrophobicContact CE1-CB 4.13Å; F217-V271 HydrophobicContact CE1-CG1 3.99Å; F217-V271 HydrophobicContact CE2-CB 4.44Å; F217-V271 HydrophobicContact CE2-CG1 4.19Å; F217-V271 HydrophobicContact CE2-CG2 4.07Å; F217-V271 HydrophobicContact CG-CG1 4.16Å; F217-V271 HydrophobicContact CZ-CB 4.03Å; F217-V271 HydrophobicContact CZ-CG1 4.08Å; F217-V271 HydrophobicContact CZ-CG2 3.93Å; F217-F291 HydrophobicContact CB-CE2 4.19Å; F217-F291 AromaticContact CD1-CE2 3.97Å; F217-F291 HydrophobicContact CD1-CE2 3.97Å; F217-F291 AromaticContact CD1-CZ 3.88Å; F217-F291 HydrophobicContact CD1-CZ 3.88Å; F217-S292 WeakPolarHBondContact CA-O 3.24Å
218T98.9Very high94.8Very high23 Ų2334.1 Ų34.114%0.14119%0.188CC..EExtended strand (participates in β ladder)trans-145.4142.9168.3-173.60000110.8F216 N259 F291 S292F216-T218 HydrophobicContact CE1-CG2 3.67Å; F216-T218 HydrophobicContact CZ-CG2 4.07Å; T218-N259 WeakPolarHBondContact CA-O 3.49Å; T218-N259 PolarHBondContact OG1-O 3.11Å; T218-N259 VanDerWaalsContact OG1-O 3.11Å; T218-F291 WeakPolarHBondContact O-CD2 3.31Å; T218-S292 WeakPolarHBondContact CG2-OG 3.46Å; T218-S292 PolarHBondContact N-O 3.21Å; T218-S292 PolarHBondContact O-N 3.25Å; T218-S292 PolarHBondContact O-OG 3.1Å
219Y98.8Very high94.3Very high0 Ų035.4 Ų35.40%020%0.196CC..EExtended strand (participates in β ladder)trans-132.3149.817664.9-89.8000110.1V221 A233 L235 A245 A257 S258 N259 V273 T290Y219-V221 HydrophobicContact CD2-CG2 4.04Å; Y219-A233 HydrophobicContact CD2-CB 4.21Å; Y219-A233 HydrophobicContact CE2-CB 3.65Å; Y219-A233 PolarHBondContact OH-O 3.04Å; Y219-L235 HydrophobicContact CD1-CB 4.16Å; Y219-L235 HydrophobicContact CD1-CD1 4.36Å; Y219-L235 HydrophobicContact CE1-CB 3.71Å; Y219-A245 HydrophobicContact CE2-CB 4.25Å; Y219-A245 PolarHBondContact OH-N 3.04Å; Y219-A257 WeakPolarHBondContact CE2-O 3.26Å; Y219-S258 VanDerWaalsContact O-CA 3.29Å; Y219-S258 WeakPolarHBondContact O-CA 3.4Å; Y219-N259 HydrophobicContact CE1-CB 3.7Å; Y219-N259 HydrophobicContact CE2-CB 4.29Å; Y219-N259 VanDerWaalsContact CZ-CB 3.49Å; Y219-N259 PolarHBondContact N-O 3.04Å; Y219-N259 PolarHBondContact O-N 3.28Å; Y219-N259 WeakPolarHBondContact OH-CB 3.38Å; Y219-V273 HydrophobicContact CD1-CG2 4.2Å; Y219-V273 HydrophobicContact CG-CG2 3.98Å; Y219-T290 WeakPolarHBondContact CA-O 3.29Å
220H98.6Very high93.9Very high81 Ų8137.3 Ų37.338%0.37521%0.209SC..EExtended strand (participates in β ladder)trans-134.8113.1170.9-61.8-82.4000106.4Y256 S258 S289 T290H220-Y256 HydrophobicContact CB-CD1 4.05Å; H220-Y256 HydrophobicContact CB-CE1 3.9Å; H220-S258 WeakPolarHBondContact CA-OG 3.17Å; H220-S258 VanDerWaalsContact ND1-CB 3.27Å; H220-S258 WeakPolarHBondContact ND1-CB 3.48Å; H220-S258 PolarHBondContact ND1-OG 3.45Å; H220-S289 CarbonylContact O-C 3.48Å; H220-S289 VanDerWaalsContact O-CA 3.25Å; H220-S289 WeakPolarHBondContact O-CA 3.46Å; H220-T290 PolarHBondContact N-O 2.87Å; H220-T290 PolarHBondContact O-N 2.91Å
221V97.5Very high93.7Very high0 Ų032.4 Ų32.40%019%0.187CC..EExtended strand (participates in β ladder)trans-115.7116.4-179.5-171.80000108.8L187 F189 Y219 M223 A233 Y256 A257 V273 L275 A280L187-V221 HydrophobicContact CD2-CG1 3.93Å; L187-V221 HydrophobicContact CD2-CG2 3.98Å; F189-V221 HydrophobicContact CZ-CG2 4.2Å; Y219-V221 HydrophobicContact CD2-CG2 4.04Å; V221-M223 HydrophobicContact CB-CG 4.05Å; V221-M223 HydrophobicContact CB-SD 4.47Å; V221-M223 HydrophobicContact CG1-CG 3.46Å; V221-M223 VanDerWaalsContact CG1-CG 3.46Å; V221-M223 HydrophobicContact CG1-SD 4.15Å; V221-M223 PolarHBondContact O-N 2.95Å; V221-A233 HydrophobicContact CB-CB 4.35Å; V221-A233 HydrophobicContact CG2-CB 4.14Å; V221-Y256 WeakPolarHBondContact O-CA 3.17Å; V221-A257 PolarHBondContact N-O 2.85Å; V221-A257 PolarHBondContact O-N 3.41Å; V221-V273 HydrophobicContact CG2-CG1 4.25Å; V221-L275 HydrophobicContact CG1-CD2 4.08Å; V221-A280 HydrophobicContact CG1-CB 3.52Å
222L96.1Very high93.5Very high22 Ų2235.8 Ų35.812%0.11520%0.197CC..EExtended strand (participates in β ladder)trans-75.7110.8168.417866.1000107.8Y254 Y256 A280 H281 Y288 S289L222-Y254 HydrophobicContact CD1-CD1 4.05Å; L222-Y254 HydrophobicContact CD1-CG 4.46Å; L222-Y254 HydrophobicContact CD2-CD1 4.16Å; L222-Y254 HydrophobicContact CG-CD1 3.95Å; L222-Y256 HydrophobicContact CB-CE1 4.07Å; L222-Y256 HydrophobicContact CB-CE2 4.34Å; L222-Y256 HydrophobicContact CD1-CD2 4.14Å; L222-Y256 HydrophobicContact CD1-CE2 3.88Å; L222-A280 CarbonylContact O-C 3.58Å; L222-A280 WeakPolarHBondContact O-CA 3.29Å; L222-H281 HydrophobicContact CD2-CB 4.17Å; L222-H281 HydrophobicContact CG-CB 4.35Å; L222-H281 PolarHBondContact O-N 2.94Å; L222-Y288 HydrophobicContact CD2-CD1 3.89Å; L222-Y288 HydrophobicContact CD2-CG 4.03Å; L222-S289 PolarHBondContact N-OG 3.3Å; L222-S289 PolarHBondContact O-OG 3.05Å
223M93.1Very high93.4Very high0 Ų034 Ų340%018%0.184CC..EExtended strand (participates in β ladder)trans-114.6151.9-175-64-173.37200111.7V221 M231 A233 Y254 D255 A257 L275 K279V221-M223 HydrophobicContact CB-CG 4.05Å; V221-M223 HydrophobicContact CB-SD 4.47Å; V221-M223 HydrophobicContact CG1-CG 3.46Å; V221-M223 VanDerWaalsContact CG1-CG 3.46Å; V221-M223 HydrophobicContact CG1-SD 4.15Å; V221-M223 PolarHBondContact O-N 2.95Å; M223-M231 HydrophobicContact CB-CG 4.14Å; M223-M231 HydrophobicContact CB-SD 3.34Å; M223-M231 WeakPolarHBondContact CB-SD 3.27Å; M223-M231 HydrophobicContact CE-CB 4.02Å; M223-M231 HydrophobicContact CE-CG 4.38Å; M223-M231 HydrophobicContact SD-CG 4.31Å; M223-A233 HydrophobicContact SD-CB 4.16Å; M223-Y254 WeakPolarHBondContact O-CA 3.4Å; M223-D255 PolarHBondContact N-O 2.86Å; M223-D255 PolarHBondContact O-N 3.44Å; M223-D255 VanDerWaalsContact O-N 3.11Å; M223-A257 HydrophobicContact SD-CB 3.8Å; M223-L275 HydrophobicContact CE-CB 4.18Å; M223-L275 HydrophobicContact CE-CD1 4.44Å; M223-L275 HydrophobicContact CE-CD2 3.83Å; M223-L275 HydrophobicContact CE-CG 4.36Å; M223-L275 HydrophobicContact SD-CD2 3.97Å; M223-K279 CarbonylContact C-O 3.51Å; M223-K279 VanDerWaalsContact CA-O 3.25Å; M223-K279 WeakPolarHBondContact CA-O 3.45Å
224R90.9Very high93.4Very high101 Ų10135.1 Ų35.138%0.38119%0.19SC..EExtended strand (participates in β ladder)trans-124.4115.7167.5-176.8177.7176.6162.81.2108.7Y254 G278 K279R224-Y254 HydrophobicContact CB-CD1 4.13Å; R224-Y254 HydrophobicContact CB-CE1 3.9Å; R224-G278 WeakPolarHBondContact O-CA 3.18Å; R224-K279 PolarHBondContact N-O 2.94Å; R224-K279 PolarHBondContact O-N 2.83Å
225G85.6Confident93.4Very high5 Ų532.7 Ų32.75%0.05218%0.178CC..EExtended strand (participates in β ladder)trans-100.5-177.7177.700000113M231 Q252G225-M231 VanDerWaalsContact N-CE 3.28Å; G225-Q252 VanDerWaalsContact O-CG 3.31Å; G225-Q252 WeakPolarHBondContact O-CG 3.13Å; G225-Q252 PolarHBondContact O-NE2 2.92Å
226G84.6Confident93.4Very high29 Ų2932.9 Ų32.930%0.29918%0.179SC..  trans-76158.2168.700000112.6G228 T229G226-G228 PolarHBondContact O-N 2.99Å; G226-T229 WeakPolarHBondContact CA-OG1 3.46Å; G226-T229 PolarHBondContact N-OG1 2.78Å; G226-T229 PolarHBondContact O-N 3.17Å; G226-T229 VanDerWaalsContact O-N 3.11Å; G226-T229 PolarHBondContact O-OG1 2.86Å
227D83.3Confident93.4Very high111 Ų11132.3 Ų32.359%0.59418%0.177SC*.THydrogen-bonded Turntrans-54.2124.3175.3-69.9-44.7000111T229 Q252D227-T229 PolarHBondContact O-N 2.96Å; D227-T229 VanDerWaalsContact O-N 3.1Å; D227-Q252 WeakPolarHBondContact OD1-CA 3.27Å; D227-Q252 WeakPolarHBondContact OD1-CB 3.44Å; D227-Q252 WeakPolarHBondContact OD1-CG 3.5Å; D227-Q252 PolarHBondContact OD1-N 3.24Å
228G82Confident93.3Very high37 Ų3736.3 Ų36.338%0.38120%0.198SC..THydrogen-bonded Turntrans66.76.3178.300000115.5G226 Q248 D249 A250G226-G228 PolarHBondContact O-N 2.99Å; G228-Q248 PolarHBondContact O-NE2 3.3Å; G228-D249 WeakPolarHBondContact CA-O 3.34Å; G228-D249 PolarHBondContact N-O 3.14Å; G228-A250 PolarHBondContact N-O 3.05Å
229T87.3Confident93.2Very high63 Ų6337.6 Ų37.639%0.38722%0.216SC..  trans-97.6139.5179.362.60000111.4G226 D227G226-T229 WeakPolarHBondContact CA-OG1 3.46Å; G226-T229 PolarHBondContact N-OG1 2.78Å; G226-T229 PolarHBondContact O-N 3.17Å; G226-T229 VanDerWaalsContact O-N 3.11Å; G226-T229 PolarHBondContact O-OG1 2.86Å; D227-T229 PolarHBondContact O-N 2.96Å; D227-T229 VanDerWaalsContact O-N 3.1Å
230S90Very high93.2Very high39 Ų3943.8 Ų43.827%0.27325%0.245SC..  trans-74.4143.3172.6-41.10000110.6A247 Q248S230-A247 WeakPolarHBondContact CA-O 3.25Å; S230-Q248 PolarHBondContact OG-OE1 2.88Å
231M91.6Very high93.1Very high4 Ų443.5 Ų43.52%0.0225%0.248CC..EExtended strand (participates in β ladder)trans-122.9147.9172.368-164.890.500110M223 G225 I246 A247 D276M223-M231 HydrophobicContact CB-CG 4.14Å; M223-M231 HydrophobicContact CB-SD 3.34Å; M223-M231 WeakPolarHBondContact CB-SD 3.27Å; M223-M231 HydrophobicContact CE-CB 4.02Å; M223-M231 HydrophobicContact CE-CG 4.38Å; M223-M231 HydrophobicContact SD-CG 4.31Å; G225-M231 VanDerWaalsContact N-CE 3.28Å; M231-I246 WeakPolarHBondContact O-CA 3.38Å; M231-A247 HydrophobicContact CG-CB 3.95Å; M231-A247 PolarHBondContact N-O 2.8Å; M231-A247 PolarHBondContact O-N 2.9Å; M231-D276 CarbonylContact C-O 3.59Å; M231-D276 WeakPolarHBondContact CA-O 3.24Å
232W93.3Very high93.2Very high95 Ų9549.6 Ų49.636%0.3627%0.271SS..EExtended strand (participates in β ladder)trans-133.1144.2-173.9-51.774.4000111.4S244 A245 I246 L275 D276W232-S244 VanDerWaalsContact CE3-OG 3.3Å; W232-A245 VanDerWaalsContact CA-O 3.27Å; W232-A245 WeakPolarHBondContact CA-O 3.4Å; W232-I246 HydrophobicContact CD2-CB 3.95Å; W232-I246 HydrophobicContact CD2-CD1 4.31Å; W232-I246 HydrophobicContact CD2-CG1 3.82Å; W232-I246 HydrophobicContact CE3-CB 3.66Å; W232-I246 HydrophobicContact CE3-CG1 4.04Å; W232-I246 HydrophobicContact CG-CG1 4.49Å; W232-I246 HydrophobicContact CH2-CB 3.98Å; W232-I246 HydrophobicContact CH2-CD1 3.53Å; W232-I246 HydrophobicContact CH2-CG1 3.97Å; W232-I246 HydrophobicContact CZ2-CB 4.23Å; W232-I246 HydrophobicContact CZ2-CD1 3.23Å; W232-I246 HydrophobicContact CZ2-CG1 3.72Å; W232-I246 HydrophobicContact CZ3-CB 3.68Å; W232-I246 HydrophobicContact CZ3-CD1 4.17Å; W232-I246 HydrophobicContact CZ3-CG1 4.12Å; W232-I246 HydrophobicContact CZ3-CG2 4.43Å; W232-L275 WeakPolarHBondContact O-CA 3.36Å; W232-D276 HydrophobicContact CB-CB 4.09Å; W232-D276 HydrophobicContact CG-CB 4.49Å; W232-D276 PolarHBondContact N-O 3.46Å; W232-D276 PolarHBondContact O-N 3.27Å
233A96.6Very high93.3Very high0 Ų049.2 Ų49.20%027%0.271CS..EExtended strand (participates in β ladder)trans-121.9125.1161.500000108.5Y219 V221 M223 A245 A257 V273 K274 L275Y219-A233 HydrophobicContact CD2-CB 4.21Å; Y219-A233 HydrophobicContact CE2-CB 3.65Å; Y219-A233 PolarHBondContact OH-O 3.04Å; V221-A233 HydrophobicContact CB-CB 4.35Å; V221-A233 HydrophobicContact CG2-CB 4.14Å; M223-A233 HydrophobicContact SD-CB 4.16Å; A233-A245 PolarHBondContact N-O 3.49Å; A233-A245 PolarHBondContact O-N 3.26Å; A233-A257 HydrophobicContact CB-CB 3.63Å; A233-V273 HydrophobicContact CB-CG1 4.17Å; A233-K274 WeakPolarHBondContact CA-O 3.27Å; A233-L275 HydrophobicContact CB-CD2 4.05Å
234D97.9Very high93.6Very high25 Ų2551.2 Ų51.213%0.13429%0.285CS..EExtended strand (participates in β ladder)trans-115127.6-176.2-71.7-21.7000110.4C236 V241 S244 V273 K274D234-C236 PolarHBondContact O-N 3.39Å; D234-V241 HydrophobicContact CB-CG1 4.04Å; D234-V241 HydrophobicContact CB-CG2 4.04Å; D234-S244 WeakPolarHBondContact OD1-CB 3.47Å; D234-S244 PolarHBondContact OD1-OG 2.78Å; D234-V273 CarbonylContact O-C 3.48Å; D234-V273 VanDerWaalsContact O-CA 3.24Å; D234-V273 WeakPolarHBondContact O-CA 3.17Å; D234-K274 PolarHBondContact N-O 2.98Å; D234-K274 PolarHBondContact O-N 2.88Å
235L98.8Very high93.9Very high0 Ų047 Ų470%027%0.272CS..EExtended strand (participates in β ladder)trans-82.8113.4165.4-174.174.6000108.6F217 Y219 R242 A243 A261 L263 V271 V273 F291F217-L235 HydrophobicContact CB-CD1 4.32Å; F217-L235 HydrophobicContact CB-CD2 3.9Å; Y219-L235 HydrophobicContact CD1-CB 4.16Å; Y219-L235 HydrophobicContact CD1-CD1 4.36Å; Y219-L235 HydrophobicContact CE1-CB 3.71Å; L235-R242 PolarHBondContact O-N 3.17Å; L235-A243 HydrophobicContact CB-CB 4.24Å; L235-A243 PolarHBondContact N-O 3.42Å; L235-A243 PolarHBondContact O-N 2.82Å; L235-A261 HydrophobicContact CD2-CB 3.74Å; L235-L263 HydrophobicContact CD2-CD1 4.18Å; L235-V271 HydrophobicContact CD1-CG1 3.63Å; L235-V271 HydrophobicContact CG-CG1 4.08Å; L235-V273 HydrophobicContact CD1-CG2 4.36Å; L235-F291 HydrophobicContact CD1-CE2 3.67Å; L235-F291 HydrophobicContact CD1-CZ 3.81Å
236C98.6Very high94.3Very high3 Ų351 Ų512%0.0229%0.291CS..EExtended strand (participates in β ladder)trans-104.1140.7-177.9-68.30000111.1D234 Q240 V271 Y272D234-C236 PolarHBondContact O-N 3.39Å; C236-Q240 CarbonylContact C-O 3.52Å; C236-Q240 VanDerWaalsContact CA-O 3.27Å; C236-Q240 WeakPolarHBondContact CA-O 3.45Å; C236-V271 VanDerWaalsContact O-CA 3.25Å; C236-V271 WeakPolarHBondContact O-CA 3.24Å; C236-Y272 HydrophobicContact CB-CD1 4.5Å; C236-Y272 HydrophobicContact CB-CD2 3.88Å; C236-Y272 HydrophobicContact CB-CE1 4.17Å; C236-Y272 HydrophobicContact CB-CE2 3.48Å; C236-Y272 VanDerWaalsContact CB-CE2 3.48Å; C236-Y272 HydrophobicContact CB-CG 4.38Å; C236-Y272 PolarHBondContact N-O 3.1Å; C236-Y272 PolarHBondContact O-N 2.93Å
237K98.7Very high94.6Very high41 Ų4149.9 Ų49.918%0.17828%0.279CS..EExtended strand (participates in β ladder)trans-114.8116.8164.1177.4-174.9177.3171.60107.9G239 Q240 R242 H264 L265 D269 E270K237-G239 PolarHBondContact O-N 2.78Å; K237-G239 VanDerWaalsContact O-N 3.11Å; K237-Q240 PolarHBondContact N-O 3.11Å; K237-Q240 PolarHBondContact O-N 3.25Å; K237-R242 HydrophobicContact CB-CG 3.51Å; K237-H264 PolarHBondContact NZ-O 3.34Å; K237-L265 HydrophobicContact CD-CD2 3.81Å; K237-L265 HydrophobicContact CG-CD2 4.18Å; K237-D269 WeakPolarHBondContact CE-OD2 3.29Å; K237-D269 IonicContact NZ-OD2 3.63Å; K237-D269 PolarHBondContact NZ-OD2 3.02Å; K237-E270 CarbonylContact C-O 3.55Å; K237-E270 VanDerWaalsContact CA-O 3.31Å; K237-E270 WeakPolarHBondContact CA-O 3.16Å
238N97.9Very high94.9Very high84 Ų8449.7 Ų49.745%0.44928%0.275SS..THydrogen-bonded Turntrans48.439-179.7-59.1-19.7000114Q240 D269 E270N238-Q240 VanDerWaalsContact C-N 3.33Å; N238-Q240 PolarHBondContact O-N 2.94Å; N238-D269 PolarHBondContact ND2-OD1 2.96Å; N238-D269 WeakPolarHBondContact OD1-CA 3.16Å; N238-E270 PolarHBondContact N-O 2.94Å; N238-E270 PolarHBondContact OD1-N 3.31Å
239G96.3Very high95Very high50 Ų5050.5 Ų50.552%0.51527%0.27SS..THydrogen-bonded Turntrans83.6-3.9-178.400000115.9K237 Y272K237-G239 PolarHBondContact O-N 2.78Å; K237-G239 VanDerWaalsContact O-N 3.11Å; G239-Y272 VanDerWaalsContact CA-OH 3.29Å; G239-Y272 WeakPolarHBondContact CA-OH 3.12Å; G239-Y272 PolarHBondContact N-OH 3.36Å
240Q97.9Very high94.5Very high130 Ų13051.5 Ų51.561%0.60729%0.285SS*.EExtended strand (participates in β ladder)trans-96.3129.6171.4-66-169.4-500111.3C236 K237 N238 R242C236-Q240 CarbonylContact C-O 3.52Å; C236-Q240 VanDerWaalsContact CA-O 3.27Å; C236-Q240 WeakPolarHBondContact CA-O 3.45Å; K237-Q240 PolarHBondContact N-O 3.11Å; K237-Q240 PolarHBondContact O-N 3.25Å; N238-Q240 VanDerWaalsContact C-N 3.33Å; N238-Q240 PolarHBondContact O-N 2.94Å; Q240-R242 PolarHBondContact O-N 2.93Å
241V98.2Very high93.8Very high74 Ų7455.5 Ų55.545%0.44830%0.303SS..EExtended strand (participates in β ladder)trans-65.6127173.1-177.90000109.7D234D234-V241 HydrophobicContact CB-CG1 4.04Å; D234-V241 HydrophobicContact CB-CG2 4.04Å
242R98.6Very high92.7Very high129 Ų12959 Ų5949%0.48732%0.32SS..EExtended strand (participates in β ladder)trans-110.5-30.2179.1-55.5-49.6-58.5175.80.9112.6L235 K237 Q240 L263L235-R242 PolarHBondContact O-N 3.17Å; K237-R242 HydrophobicContact CB-CG 3.51Å; Q240-R242 PolarHBondContact O-N 2.93Å; R242-L263 HydrophobicContact CB-CD1 4.12Å; R242-L263 HydrophobicContact CB-CD2 4.01Å; R242-L263 HydrophobicContact CG-CD1 4.14Å; R242-L263 HydrophobicContact CG-CD2 4.3Å
243A98.6Very high92Very high13 Ų1359.2 Ų59.211%0.10733%0.328CS..EExtended strand (participates in β ladder)trans-148.7148.1170.900000108.8L235 N259 A261L235-A243 HydrophobicContact CB-CB 4.24Å; L235-A243 PolarHBondContact N-O 3.42Å; L235-A243 PolarHBondContact O-N 2.82Å; A243-N259 HydrophobicContact CB-CB 4.42Å; A243-A261 HydrophobicContact CB-CB 4.25Å
244S98.1Very high91.8Very high42 Ų4263.8 Ų63.829%0.29435%0.346SS..EExtended strand (participates in β ladder)trans-139.3146.3-176.1-174.80000109.8W232 D234 N259W232-S244 VanDerWaalsContact CE3-OG 3.3Å; D234-S244 WeakPolarHBondContact OD1-CB 3.47Å; D234-S244 PolarHBondContact OD1-OG 2.78Å; S244-N259 PolarHBondContact O-ND2 2.99Å
245A97.6Very high91.6Very high12 Ų1265.5 Ų65.510%0.09936%0.355CS..EExtended strand (participates in β ladder)trans-130.2131.6172.200000109.2Y219 W232 A233 A257 S258 N259Y219-A245 HydrophobicContact CE2-CB 4.25Å; Y219-A245 PolarHBondContact OH-N 3.04Å; W232-A245 VanDerWaalsContact CA-O 3.27Å; W232-A245 WeakPolarHBondContact CA-O 3.4Å; A233-A245 PolarHBondContact N-O 3.49Å; A233-A245 PolarHBondContact O-N 3.26Å; A245-A257 HydrophobicContact CB-CB 3.94Å; A245-S258 WeakPolarHBondContact CB-O 3.1Å; A245-N259 HydrophobicContact CB-CB 4.32Å
246I95Very high91.4Very high89 Ų8969.9 Ų69.946%0.45637%0.372SS..EExtended strand (participates in β ladder)trans-110.6139.5177.2-167.7-175.3000109.7M231 W232M231-I246 WeakPolarHBondContact O-CA 3.38Å; W232-I246 HydrophobicContact CD2-CB 3.95Å; W232-I246 HydrophobicContact CD2-CD1 4.31Å; W232-I246 HydrophobicContact CD2-CG1 3.82Å; W232-I246 HydrophobicContact CE3-CB 3.66Å; W232-I246 HydrophobicContact CE3-CG1 4.04Å; W232-I246 HydrophobicContact CG-CG1 4.49Å; W232-I246 HydrophobicContact CH2-CB 3.98Å; W232-I246 HydrophobicContact CH2-CD1 3.53Å; W232-I246 HydrophobicContact CH2-CG1 3.97Å; W232-I246 HydrophobicContact CZ2-CB 4.23Å; W232-I246 HydrophobicContact CZ2-CD1 3.23Å; W232-I246 HydrophobicContact CZ2-CG1 3.72Å; W232-I246 HydrophobicContact CZ3-CB 3.68Å; W232-I246 HydrophobicContact CZ3-CD1 4.17Å; W232-I246 HydrophobicContact CZ3-CG1 4.12Å; W232-I246 HydrophobicContact CZ3-CG2 4.43Å
247A90.7Very high91.3Very high6 Ų669.8 Ų69.85%0.0537%0.371CS..EExtended strand (participates in β ladder)trans-129.4145.7165.100000109.5S230 M231 D255S230-A247 WeakPolarHBondContact CA-O 3.25Å; M231-A247 HydrophobicContact CG-CB 3.95Å; M231-A247 PolarHBondContact N-O 2.8Å; M231-A247 PolarHBondContact O-N 2.9Å; A247-D255 HydrophobicContact CB-CB 3.99Å; A247-D255 WeakPolarHBondContact CB-OD2 3.44Å
248Q89.3Confident91.3Very high108 Ų10869.9 Ų69.951%0.50538%0.377SS..  trans-154.4123.6176.1-178.2177.6-6.700109.8G228 S230G228-Q248 PolarHBondContact O-NE2 3.3Å; S230-Q248 PolarHBondContact OG-OE1 2.88Å
249D83.5Confident91.3Very high54 Ų5468.8 Ų68.829%0.28937%0.372SS..  trans-120.1149.3173.5-73.2-42.8000110.6G228G228-D249 WeakPolarHBondContact CA-O 3.34Å; G228-D249 PolarHBondContact N-O 3.14Å
250A77.8Confident91.5Very high84 Ų8469.1 Ų69.169%0.69437%0.366SS*.SBendtrans-72.6-35.2-177.900000112.3G228G228-A250 PolarHBondContact N-O 3.05Å
251D74.6Confident91.5Very high123 Ų12363.7 Ų63.766%0.65834%0.343SS*.SBendtrans-124.1122.3-177.545.5-22.9000109.2N253D251-N253 PolarHBondContact O-N 3.1Å
252Q68.3Low91.5Very high77 Ų7764.4 Ų64.436%0.3635%0.347SS..  trans-41.2105.6-167.5-105.3-147.24.100113.5G225 D227G225-Q252 VanDerWaalsContact O-CG 3.31Å; G225-Q252 WeakPolarHBondContact O-CG 3.13Å; G225-Q252 PolarHBondContact O-NE2 2.92Å; D227-Q252 WeakPolarHBondContact OD1-CA 3.27Å; D227-Q252 WeakPolarHBondContact OD1-CB 3.44Å; D227-Q252 WeakPolarHBondContact OD1-CG 3.5Å; D227-Q252 PolarHBondContact OD1-N 3.24Å
253N79.9Confident91.5Very high99 Ų9959 Ų5953%0.52933%0.329SS..  trans-131.5167.9175.8-132.541.4000112.1D251D251-N253 PolarHBondContact O-N 3.1Å
254Y90.8Very high91.5Very high96 Ų9661.9 Ų61.938%0.37634%0.339SS..EExtended strand (participates in β ladder)trans-85.5127.3170.9-78.1-88.7000108.6L222 M223 R224 H281L222-Y254 HydrophobicContact CD1-CD1 4.05Å; L222-Y254 HydrophobicContact CD1-CG 4.46Å; L222-Y254 HydrophobicContact CD2-CD1 4.16Å; L222-Y254 HydrophobicContact CG-CD1 3.95Å; M223-Y254 WeakPolarHBondContact O-CA 3.4Å; R224-Y254 HydrophobicContact CB-CD1 4.13Å; R224-Y254 HydrophobicContact CB-CE1 3.9Å; Y254-H281 HydrophobicContact CE1-CB 4.2Å; Y254-H281 AromaticContact CE1-CD2 3.5Å; Y254-H281 VanDerWaalsContact CE1-CD2 3.5Å; Y254-H281 WeakPolarHBondContact CE1-CD2 3.43Å; Y254-H281 AromaticContact CE1-CG 3.68Å; Y254-H281 AromaticContact CE1-NE2 3.75Å; Y254-H281 PolarHBondContact OH-CE1 3.38Å
255D94.1Very high91.6Very high62 Ų6259.9 Ų59.933%0.33233%0.325SS..EExtended strand (participates in β ladder)trans-139.6166.1173.7-161.19.4000111M223 A247M223-D255 PolarHBondContact N-O 2.86Å; M223-D255 PolarHBondContact O-N 3.44Å; M223-D255 VanDerWaalsContact O-N 3.11Å; A247-D255 HydrophobicContact CB-CB 3.99Å; A247-D255 WeakPolarHBondContact CB-OD2 3.44Å
256Y95.7Very high91.6Very high91 Ų9163.2 Ų63.236%0.35734%0.342SS..EExtended strand (participates in β ladder)trans-99.4123.9-178.6-93.6-82.7000112.3H220 V221 L222 Y288H220-Y256 HydrophobicContact CB-CD1 4.05Å; H220-Y256 HydrophobicContact CB-CE1 3.9Å; V221-Y256 WeakPolarHBondContact O-CA 3.17Å; L222-Y256 HydrophobicContact CB-CE1 4.07Å; L222-Y256 HydrophobicContact CB-CE2 4.34Å; L222-Y256 HydrophobicContact CD1-CD2 4.14Å; L222-Y256 HydrophobicContact CD1-CE2 3.88Å; Y256-Y288 WeakPolarHBondContact CE1-O 3.29Å; Y256-Y288 WeakPolarHBondContact OH-CA 3.26Å; Y256-Y288 PolarHBondContact OH-O 3.13Å
257A96.1Very high91.7Very high1 Ų162.6 Ų62.61%0.00835%0.345CS..EExtended strand (participates in β ladder)trans-97104.2160.300000108.4Y219 V221 M223 A233 A245Y219-A257 WeakPolarHBondContact CE2-O 3.26Å; V221-A257 PolarHBondContact N-O 2.85Å; V221-A257 PolarHBondContact O-N 3.41Å; M223-A257 HydrophobicContact SD-CB 3.8Å; A233-A257 HydrophobicContact CB-CB 3.63Å; A245-A257 HydrophobicContact CB-CB 3.94Å
258S98.4Very high92.1Very high43 Ų4364.5 Ų64.530%0.30137%0.365SS..EExtended strand (participates in β ladder)trans-129.7136.2-175.7-56.30000111.9Y219 H220 A245Y219-S258 VanDerWaalsContact O-CA 3.29Å; Y219-S258 WeakPolarHBondContact O-CA 3.4Å; H220-S258 WeakPolarHBondContact CA-OG 3.17Å; H220-S258 VanDerWaalsContact ND1-CB 3.27Å; H220-S258 WeakPolarHBondContact ND1-CB 3.48Å; H220-S258 PolarHBondContact ND1-OG 3.45Å; A245-S258 WeakPolarHBondContact CB-O 3.1Å
259N98.8Very high92.6Very high62 Ų6260.2 Ų60.233%0.33235%0.346SS..EExtended strand (participates in β ladder)trans-154.2176.3171.1-146.7-29.5000111.2T218 Y219 A243 S244 A245T218-N259 WeakPolarHBondContact CA-O 3.49Å; T218-N259 PolarHBondContact OG1-O 3.11Å; T218-N259 VanDerWaalsContact OG1-O 3.11Å; Y219-N259 HydrophobicContact CE1-CB 3.7Å; Y219-N259 HydrophobicContact CE2-CB 4.29Å; Y219-N259 VanDerWaalsContact CZ-CB 3.49Å; Y219-N259 PolarHBondContact N-O 3.04Å; Y219-N259 PolarHBondContact O-N 3.28Å; Y219-N259 WeakPolarHBondContact OH-CB 3.38Å; A243-N259 HydrophobicContact CB-CB 4.42Å; S244-N259 PolarHBondContact O-ND2 2.99Å; A245-N259 HydrophobicContact CB-CB 4.32Å
260S98.8Very high93.3Very high56 Ų5660.6 Ų60.639%0.39235%0.346SS..EExtended strand (participates in β ladder)trans-143.7158.1174.762.60000110.9F217F217-S260 CarbonylContact O-C 3.59Å; F217-S260 WeakPolarHBondContact O-CA 3.31Å; F217-S260 VanDerWaalsContact O-CB 3.3Å; F217-S260 WeakPolarHBondContact O-CB 3.43Å
261A98.8Very high94.3Very high16 Ų1656.6 Ų56.613%0.13231%0.313CS..EExtended strand (participates in β ladder)trans-150.4147.1175.100000111.3F217 L235 A243 L263F217-A261 PolarHBondContact N-O 3.39Å; F217-A261 PolarHBondContact O-N 3.14Å; L235-A261 HydrophobicContact CD2-CB 3.74Å; A243-A261 HydrophobicContact CB-CB 4.25Å; A261-L263 HydrophobicContact CB-CD1 4.43Å; A261-L263 HydrophobicContact CB-CD2 4.12Å; A261-L263 HydrophobicContact CB-CG 4.04Å
262V98.8Very high95.4Very high89 Ų8952.1 Ų52.154%0.53929%0.287SS..EExtended strand (participates in β ladder)trans-102.8121.9163.8178.30000107.5I214 Y215 F216 L296I214-V262 HydrophobicContact CG2-CG1 3.38Å; Y215-V262 CarbonylContact O-C 3.58Å; Y215-V262 VanDerWaalsContact O-CA 3.29Å; Y215-V262 WeakPolarHBondContact O-CA 3.38Å; F216-V262 HydrophobicContact CD2-CG2 3.96Å; V262-L296 HydrophobicContact CG1-CD1 4.07Å; V262-L296 HydrophobicContact CG2-CD1 4.4Å
263L98.8Very high96.9Very high17 Ų1748.4 Ų48.49%0.08927%0.27CS..EExtended strand (participates in β ladder)trans-128.9137.7-173.4-59.2177.2000110.3Y215 F217 L235 R242 A261 L265Y215-L263 PolarHBondContact N-O 3.41Å; Y215-L263 PolarHBondContact O-N 3.35Å; F217-L263 HydrophobicContact CD2-CD1 4.18Å; F217-L263 HydrophobicContact CE2-CD1 4.45Å; L235-L263 HydrophobicContact CD2-CD1 4.18Å; R242-L263 HydrophobicContact CB-CD1 4.12Å; R242-L263 HydrophobicContact CB-CD2 4.01Å; R242-L263 HydrophobicContact CG-CD1 4.14Å; R242-L263 HydrophobicContact CG-CD2 4.3Å; A261-L263 HydrophobicContact CB-CD1 4.43Å; A261-L263 HydrophobicContact CB-CD2 4.12Å; A261-L263 HydrophobicContact CB-CG 4.04Å; L263-L265 HydrophobicContact CB-CD2 4.2Å
264H98.7Very high97.7Very high73 Ų7347.2 Ų47.234%0.33826%0.26SS..EExtended strand (participates in β ladder)trans-77.6131.6159.5-178.1-85.8000109.1G213 I214 K237 D266 D299G213-H264 WeakPolarHBondContact O-CA 3.25Å; I214-H264 HydrophobicContact CD1-CB 3.68Å; K237-H264 PolarHBondContact NZ-O 3.34Å; H264-D266 IonicContact CE1-OD1 3.3Å; H264-D299 IonicContact CD2-OD1 2.94Å; H264-D299 IonicContact CD2-OD2 2.64Å; H264-D299 IonicContact CE1-OD2 3.94Å; H264-D299 IonicContact NE2-OD1 2.69Å; H264-D299 PolarHBondContact NE2-OD1 2.93Å; H264-D299 IonicContact NE2-OD2 3.27Å; H264-D299 PolarHBondContact NE2-OD2 3.01Å
265L98.8Very high97.8Very high0 Ų042.7 Ų42.70%024%0.242CC..EExtended strand (participates in β ladder)trans-124.3138.4177.6-58.4-176.5000109.8F207 C209 S212 G213 Y215 F217 K237 L263 D269 V271F207-L265 HydrophobicContact CD1-CD1 4.31Å; F207-L265 HydrophobicContact CE1-CD1 3.92Å; C209-L265 HydrophobicContact CB-CB 4.01Å; C209-L265 HydrophobicContact CB-CD1 4.14Å; S212-L265 CarbonylContact C-O 3.48Å; S212-L265 WeakPolarHBondContact CA-O 3.41Å; G213-L265 PolarHBondContact N-O 2.82Å; G213-L265 PolarHBondContact O-N 2.98Å; Y215-L265 HydrophobicContact CD2-CB 3.93Å; Y215-L265 HydrophobicContact CD2-CD1 3.72Å; Y215-L265 HydrophobicContact CD2-CG 3.86Å; Y215-L265 HydrophobicContact CE2-CB 4.09Å; Y215-L265 HydrophobicContact CE2-CD1 4.22Å; Y215-L265 HydrophobicContact CE2-CG 4.45Å; Y215-L265 HydrophobicContact CG-CD1 3.9Å; Y215-L265 HydrophobicContact CG-CG 4.4Å; F217-L265 HydrophobicContact CE2-CD1 3.81Å; F217-L265 HydrophobicContact CZ-CD1 3.68Å; K237-L265 HydrophobicContact CD-CD2 3.81Å; K237-L265 HydrophobicContact CG-CD2 4.18Å; L263-L265 HydrophobicContact CB-CD2 4.2Å; L265-D269 WeakPolarHBondContact CA-OD2 3.31Å; L265-D269 HydrophobicContact CB-CB 4.29Å; L265-D269 HydrophobicContact CD2-CB 4.2Å; L265-V271 HydrophobicContact CD1-CG2 3.74Å; L265-V271 HydrophobicContact CD2-CG2 3.63Å; L265-V271 HydrophobicContact CG-CG2 4.37Å
266D98.6Very high97.6Very high82 Ų8242.4 Ų42.444%0.43924%0.241SC..  trans-90.7153.6165.9-69.3-53.1000110C209 S212 H264 G268 D269C209-D266 VanDerWaalsContact CB-O 3.28Å; C209-D266 WeakPolarHBondContact CB-O 3.32Å; C209-D266 PolarHBondContact SG-O 2.84Å; C209-D266 VanDerWaalsContact SG-O 3.34Å; S212-D266 WeakPolarHBondContact OG-CA 3.37Å; H264-D266 IonicContact CE1-OD1 3.3Å; D266-G268 PolarHBondContact O-N 3.21Å; D266-D269 PolarHBondContact N-OD2 3.31Å; D266-D269 VanDerWaalsContact O-CB 3.27Å; D266-D269 WeakPolarHBondContact O-CB 2.8Å; D266-D269 PolarHBondContact O-N 3.4Å
267S97.7Very high97.3Very high76 Ų7639.3 Ų39.353%0.53124%0.236SC..THydrogen-bonded Turntrans-53.9126.8170.51800000110.7S212S212-S267 PolarHBondContact OG-N 2.88Å; S212-S267 VanDerWaalsContact OG-N 3.1Å
268G98.3Very high96.9Very high46 Ų4640.1 Ų40.147%0.47424%0.244SC..THydrogen-bonded Turntrans99.9-14.1-175.300000114.3C209 D266C209-G268 PolarHBondContact O-N 2.54Å; D266-G268 PolarHBondContact O-N 3.21Å
269D98.8Very high96.6Very high18 Ų1840.9 Ų40.910%0.09624%0.242CC..  trans-65.7136.2177-74.7-22.7000111.7C209 K237 N238 L265 D266C209-D269 HydrophobicContact CB-CB 4.23Å; C209-D269 WeakPolarHBondContact CB-O 3.37Å; C209-D269 PolarHBondContact N-O 3.46Å; K237-D269 WeakPolarHBondContact CE-OD2 3.29Å; K237-D269 IonicContact NZ-OD2 3.63Å; K237-D269 PolarHBondContact NZ-OD2 3.02Å; N238-D269 PolarHBondContact ND2-OD1 2.96Å; N238-D269 WeakPolarHBondContact OD1-CA 3.16Å; L265-D269 WeakPolarHBondContact CA-OD2 3.31Å; L265-D269 HydrophobicContact CB-CB 4.29Å; L265-D269 HydrophobicContact CD2-CB 4.2Å; D266-D269 PolarHBondContact N-OD2 3.31Å; D266-D269 VanDerWaalsContact O-CB 3.27Å; D266-D269 WeakPolarHBondContact O-CB 2.8Å; D266-D269 PolarHBondContact O-N 3.4Å
270E98.8Very high96.4Very high61 Ų6138 Ų3829%0.28523%0.227SC..EExtended strand (participates in β ladder)trans-104.1130.3175.7-63-176.9134.900110.6K206 F207 K237 N238 Y272K206-E270 HydrophobicContact CD-CB 4.27Å; K206-E270 HydrophobicContact CD-CG 4.27Å; K206-E270 VanDerWaalsContact CD-OE1 3.29Å; K206-E270 WeakPolarHBondContact CD-OE1 3.46Å; K206-E270 IonicContact NZ-OE1 3.15Å; K206-E270 PolarHBondContact NZ-OE1 2.99Å; K206-E270 IonicContact NZ-OE2 3.88Å; K206-E270 PolarHBondContact NZ-OE2 3.49Å; F207-E270 CarbonylContact O-C 3.53Å; F207-E270 WeakPolarHBondContact O-CA 3.48Å; K237-E270 CarbonylContact C-O 3.55Å; K237-E270 VanDerWaalsContact CA-O 3.31Å; K237-E270 WeakPolarHBondContact CA-O 3.16Å; N238-E270 PolarHBondContact N-O 2.94Å; N238-E270 PolarHBondContact OD1-N 3.31Å; E270-Y272 HydrophobicContact CB-CD1 4.43Å
271V98.9Very high96.2Very high0 Ų036.7 Ų36.70%022%0.215CC..EExtended strand (participates in β ladder)trans-118.9132172.8-176.20000110.2F207 F217 L235 C236 L265 F291F207-V271 HydrophobicContact CB-CB 4.49Å; F207-V271 HydrophobicContact CD1-CB 4.49Å; F207-V271 PolarHBondContact N-O 2.98Å; F207-V271 PolarHBondContact O-N 3.41Å; F217-V271 HydrophobicContact CD1-CG1 4.04Å; F217-V271 HydrophobicContact CD2-CG1 4.23Å; F217-V271 HydrophobicContact CE1-CB 4.13Å; F217-V271 HydrophobicContact CE1-CG1 3.99Å; F217-V271 HydrophobicContact CE2-CB 4.44Å; F217-V271 HydrophobicContact CE2-CG1 4.19Å; F217-V271 HydrophobicContact CE2-CG2 4.07Å; F217-V271 HydrophobicContact CG-CG1 4.16Å; F217-V271 HydrophobicContact CZ-CB 4.03Å; F217-V271 HydrophobicContact CZ-CG1 4.08Å; F217-V271 HydrophobicContact CZ-CG2 3.93Å; L235-V271 HydrophobicContact CD1-CG1 3.63Å; L235-V271 HydrophobicContact CG-CG1 4.08Å; C236-V271 VanDerWaalsContact O-CA 3.25Å; C236-V271 WeakPolarHBondContact O-CA 3.24Å; L265-V271 HydrophobicContact CD1-CG2 3.74Å; L265-V271 HydrophobicContact CD2-CG2 3.63Å; L265-V271 HydrophobicContact CG-CG2 4.37Å; V271-F291 HydrophobicContact CG1-CZ 4.25Å
272Y98.8Very high96.1Very high29 Ų2936 Ų3611%0.11421%0.209CC..EExtended strand (participates in β ladder)trans-157.2164.4-177.956.5-92.3000112.5V186 K206 C236 G239 E270 K274V186-Y272 HydrophobicContact CB-CD2 4.27Å; V186-Y272 HydrophobicContact CG1-CD2 3.89Å; V186-Y272 HydrophobicContact CG1-CG 4.03Å; V186-Y272 HydrophobicContact CG2-CD2 3.63Å; V186-Y272 HydrophobicContact CG2-CE2 3.71Å; V186-Y272 HydrophobicContact CG2-CG 4.24Å; K206-Y272 HydrophobicContact CD-CD1 4.12Å; K206-Y272 HydrophobicContact CG-CD1 4.02Å; K206-Y272 HydrophobicContact CG-CG 4.22Å; C236-Y272 HydrophobicContact CB-CD1 4.5Å; C236-Y272 HydrophobicContact CB-CD2 3.88Å; C236-Y272 HydrophobicContact CB-CE1 4.17Å; C236-Y272 HydrophobicContact CB-CE2 3.48Å; C236-Y272 VanDerWaalsContact CB-CE2 3.48Å; C236-Y272 HydrophobicContact CB-CG 4.38Å; C236-Y272 PolarHBondContact N-O 3.1Å; C236-Y272 PolarHBondContact O-N 2.93Å; G239-Y272 VanDerWaalsContact CA-OH 3.29Å; G239-Y272 WeakPolarHBondContact CA-OH 3.12Å; G239-Y272 PolarHBondContact N-OH 3.36Å; E270-Y272 HydrophobicContact CB-CD1 4.43Å; Y272-K274 HydrophobicContact CE2-CB 4.4Å
273V98.4Very high95.8Very high0 Ų033.6 Ų33.60%020%0.202CC..EExtended strand (participates in β ladder)trans-97.3134.2173-177.80000109.4L187 F189 Y219 V221 A233 D234 L235 L275 F291L187-V273 HydrophobicContact CB-CB 4.46Å; L187-V273 PolarHBondContact N-O 3.5Å; F189-V273 HydrophobicContact CE2-CB 4.06Å; F189-V273 HydrophobicContact CE2-CG2 4.1Å; F189-V273 HydrophobicContact CZ-CG2 4.46Å; Y219-V273 HydrophobicContact CD1-CG2 4.2Å; Y219-V273 HydrophobicContact CG-CG2 3.98Å; V221-V273 HydrophobicContact CG2-CG1 4.25Å; A233-V273 HydrophobicContact CB-CG1 4.17Å; D234-V273 CarbonylContact O-C 3.48Å; D234-V273 VanDerWaalsContact O-CA 3.24Å; D234-V273 WeakPolarHBondContact O-CA 3.17Å; L235-V273 HydrophobicContact CD1-CG2 4.36Å; V273-L275 HydrophobicContact CG1-CD2 4.48Å; V273-F291 HydrophobicContact CG2-CD1 4.28Å; V273-F291 HydrophobicContact CG2-CD2 3.99Å; V273-F291 HydrophobicContact CG2-CE1 4.46Å; V273-F291 HydrophobicContact CG2-CE2 4.18Å; V273-F291 HydrophobicContact CG2-CG 4.07Å; V273-F291 HydrophobicContact CG2-CZ 4.41Å
274K96.3Very high95.6Very high74 Ų7439.7 Ų39.732%0.32224%0.235SC..EExtended strand (participates in β ladder)trans-118.1142.4173.9-176.4-176172.9-166.60109.5Y184 A233 D234 Y272Y184-K274 VanDerWaalsContact O-CE 3.29Å; Y184-K274 WeakPolarHBondContact O-CE 3.32Å; A233-K274 WeakPolarHBondContact CA-O 3.27Å; D234-K274 PolarHBondContact N-O 2.98Å; D234-K274 PolarHBondContact O-N 2.88Å; Y272-K274 HydrophobicContact CE2-CB 4.4Å
275L94.1Very high95.4Very high1 Ų139.9 Ų39.91%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-101.9153176.8-55179.6000112.2E185 L187 V221 M223 W232 A233 V273 A280E185-L275 PolarHBondContact O-N 3.33Å; L187-L275 HydrophobicContact CB-CD1 4.38Å; L187-L275 HydrophobicContact CB-CG 4.17Å; L187-L275 HydrophobicContact CD1-CD1 4.07Å; L187-L275 HydrophobicContact CD2-CD1 4.2Å; L187-L275 HydrophobicContact CD2-CD2 4.04Å; L187-L275 HydrophobicContact CD2-CG 4.33Å; L187-L275 HydrophobicContact CG-CD1 4.45Å; V221-L275 HydrophobicContact CG1-CD2 4.08Å; M223-L275 HydrophobicContact CE-CB 4.18Å; M223-L275 HydrophobicContact CE-CD1 4.44Å; M223-L275 HydrophobicContact CE-CD2 3.83Å; M223-L275 HydrophobicContact CE-CG 4.36Å; M223-L275 HydrophobicContact SD-CD2 3.97Å; W232-L275 WeakPolarHBondContact O-CA 3.36Å; A233-L275 HydrophobicContact CB-CD2 4.05Å; V273-L275 HydrophobicContact CG1-CD2 4.48Å; L275-A280 HydrophobicContact CD1-CB 3.56Å
276D90.4Very high95.3Very high56 Ų5641.8 Ų41.830%0.29925%0.249SC..EExtended strand (participates in β ladder)trans-142.2141167.3-167.2-23.6000109.3Y184 M231 W232 G278Y184-D276 HydrophobicContact CD1-CB 4.37Å; Y184-D276 HydrophobicContact CE1-CB 4.16Å; Y184-D276 WeakPolarHBondContact CE1-OD1 3.29Å; Y184-D276 WeakPolarHBondContact CE1-OD2 3.25Å; Y184-D276 PolarHBondContact OH-OD1 2.92Å; M231-D276 CarbonylContact C-O 3.59Å; M231-D276 WeakPolarHBondContact CA-O 3.24Å; W232-D276 HydrophobicContact CB-CB 4.09Å; W232-D276 HydrophobicContact CG-CB 4.49Å; W232-D276 PolarHBondContact N-O 3.46Å; W232-D276 PolarHBondContact O-N 3.27Å; D276-G278 VanDerWaalsContact C-N 3.27Å; D276-G278 PolarHBondContact O-N 3.43Å; D276-G278 VanDerWaalsContact O-N 3.17Å
277G87.6Confident95.3Very high25 Ų2541.7 Ų41.726%0.25824%0.244SC..SBendtrans72.46.9168.900000116.6
278G88.3Confident95.2Very high18 Ų1843 Ų4319%0.18624%0.238CC..EExtended strand (participates in β ladder)trans-165.4175-179.600000115.9R224 D276R224-G278 WeakPolarHBondContact O-CA 3.18Å; D276-G278 VanDerWaalsContact C-N 3.27Å; D276-G278 PolarHBondContact O-N 3.43Å; D276-G278 VanDerWaalsContact O-N 3.17Å
279K91.7Very high95.2Very high60 Ų6040.8 Ų40.826%0.26122%0.215SC..EExtended strand (participates in β ladder)trans-104.4131.9177-178.4173.4-166158.20110.5P180 H181 E182 M223 R224 H281P180-K279 HydrophobicContact CB-CD 4.35Å; P180-K279 HydrophobicContact CB-CG 4.48Å; H181-K279 WeakPolarHBondContact O-CA 3.41Å; H181-K279 WeakPolarHBondContact O-CG 3.39Å; E182-K279 HydrophobicContact CG-CB 3.85Å; E182-K279 HydrophobicContact CG-CD 3.52Å; E182-K279 HydrophobicContact CG-CG 3.49Å; E182-K279 VanDerWaalsContact CG-CG 3.49Å; E182-K279 WeakPolarHBondContact OE1-CD 3.3Å; E182-K279 WeakPolarHBondContact OE1-CE 3.29Å; E182-K279 IonicContact OE1-NZ 2.76Å; E182-K279 PolarHBondContact OE1-NZ 3.27Å; M223-K279 CarbonylContact C-O 3.51Å; M223-K279 VanDerWaalsContact CA-O 3.25Å; M223-K279 WeakPolarHBondContact CA-O 3.45Å; R224-K279 PolarHBondContact N-O 2.94Å; R224-K279 PolarHBondContact O-N 2.83Å; K279-H281 PolarHBondContact O-CD2 2.93Å; K279-H281 VanDerWaalsContact O-CD2 3.3Å
280A94.9Very high95.2Very high0 Ų040.5 Ų40.50%022%0.215CC..EExtended strand (participates in β ladder)trans-85.2145.9172.900000112.2L177 P180 H181 L187 V221 L222 L275L177-A280 HydrophobicContact CD2-CB 3.72Å; P180-A280 VanDerWaalsContact CA-O 3.27Å; P180-A280 WeakPolarHBondContact CA-O 3.48Å; H181-A280 PolarHBondContact N-O 3.44Å; H181-A280 PolarHBondContact O-N 3.02Å; L187-A280 HydrophobicContact CD1-CB 3.92Å; L187-A280 HydrophobicContact CD2-CB 3.87Å; V221-A280 HydrophobicContact CG1-CB 3.52Å; L222-A280 CarbonylContact O-C 3.58Å; L222-A280 WeakPolarHBondContact O-CA 3.29Å; L275-A280 HydrophobicContact CD1-CB 3.56Å
281H95.4Very high95.2Very high30 Ų3037.6 Ų37.614%0.13920%0.201CC..  trans-129.3129.5-176-72.5-93.9000112.9L222 Y254 K279 S289L222-H281 HydrophobicContact CD2-CB 4.17Å; L222-H281 HydrophobicContact CG-CB 4.35Å; L222-H281 PolarHBondContact O-N 2.94Å; Y254-H281 HydrophobicContact CE1-CB 4.2Å; Y254-H281 AromaticContact CE1-CD2 3.5Å; Y254-H281 VanDerWaalsContact CE1-CD2 3.5Å; Y254-H281 WeakPolarHBondContact CE1-CD2 3.43Å; Y254-H281 AromaticContact CE1-CG 3.68Å; Y254-H281 AromaticContact CE1-NE2 3.75Å; Y254-H281 PolarHBondContact OH-CE1 3.38Å; K279-H281 PolarHBondContact O-CD2 2.93Å; K279-H281 VanDerWaalsContact O-CD2 3.3Å; H281-S289 WeakPolarHBondContact O-CB 3.33Å; H281-S289 PolarHBondContact O-N 3.33Å; H281-S289 PolarHBondContact O-OG 2.93Å
282G95.6Very high95.2Very high2 Ų238.8 Ų38.82%0.02121%0.209CC..  trans-78.6-21.6175.500000115.6L177 N286 K287 Y288L177-G282 WeakPolarHBondContact O-CA 3.41Å; G282-N286 CarbonylContact O-C 3.58Å; G282-N286 VanDerWaalsContact O-C 3.23Å; G282-N286 WeakPolarHBondContact O-CA 3.49Å; G282-N286 PolarHBondContact O-N 2.98Å; G282-K287 PolarHBondContact O-N 2.98Å; G282-Y288 WeakPolarHBondContact O-CD2 3.22Å; G282-Y288 PolarHBondContact O-N 2.91Å
283G93.6Very high95.2Very high38 Ų3837.4 Ų37.439%0.39220%0.204SC..  trans67-169.5-166.400000112.7N285G283-N285 PolarHBondContact O-N 3.47Å
284N93.9Very high95.2Very high144 Ų14441.3 Ų41.377%0.7722%0.221SC*.THydrogen-bonded Turntrans-74.7-21-174.862.7-16.3000114.7
285N95Very high95.3Very high78 Ų7838.8 Ų38.842%0.41721%0.211SC..THydrogen-bonded Turntrans-114.16-177.864.79.2000112.9G283 K287G283-N285 PolarHBondContact O-N 3.47Å; N285-K287 WeakPolarHBondContact O-CG 3.34Å; N285-K287 PolarHBondContact O-N 3.08Å; N285-K287 PolarHBondContact O-NZ 3.37Å; N285-K287 WeakPolarHBondContact OD1-CB 3.36Å; N285-K287 PolarHBondContact OD1-N 3.05Å
286N96.9Very high95.5Very high40 Ų4041.7 Ų41.721%0.21423%0.226CC..SBendtrans66.312.6-180-43.1-34.1000114.9G176 L177 K178 D191 G282G176-N286 WeakPolarHBondContact CA-O 3.38Å; L177-N286 PolarHBondContact N-O 3.4Å; L177-N286 VanDerWaalsContact N-O 3.15Å; L177-N286 WeakPolarHBondContact O-CA 3.04Å; L177-N286 VanDerWaalsContact O-CB 3.22Å; L177-N286 WeakPolarHBondContact O-CB 3.29Å; K178-N286 HydrophobicContact CG-CB 4.24Å; D191-N286 HydrophobicContact CB-CB 4.14Å; D191-N286 WeakPolarHBondContact OD2-CB 3.35Å; G282-N286 CarbonylContact O-C 3.58Å; G282-N286 VanDerWaalsContact O-C 3.23Å; G282-N286 WeakPolarHBondContact O-CA 3.49Å; G282-N286 PolarHBondContact O-N 2.98Å
287K97.1Very high95.6Very high79 Ų7946.6 Ų46.634%0.34324%0.241SC..  trans-1071.7-173.3-55.9-56.2174.2-76.40114.7D191 I193 G282 N285 T290D191-K287 IonicContact OD2-NZ 2.64Å; D191-K287 PolarHBondContact OD2-NZ 2.91Å; I193-K287 HydrophobicContact CD1-CD 4.28Å; G282-K287 PolarHBondContact O-N 2.98Å; N285-K287 WeakPolarHBondContact O-CG 3.34Å; N285-K287 PolarHBondContact O-N 3.08Å; N285-K287 PolarHBondContact O-NZ 3.37Å; N285-K287 WeakPolarHBondContact OD1-CB 3.36Å; N285-K287 PolarHBondContact OD1-N 3.05Å; K287-T290 WeakPolarHBondContact O-CG2 3.47Å
288Y97.3Very high96Very high103 Ų10348.1 Ų48.140%0.40425%0.247SC..SBendtrans-77.5-37.7179.3-74.7-97000112.3L222 Y256 G282L222-Y288 HydrophobicContact CD2-CD1 3.89Å; L222-Y288 HydrophobicContact CD2-CG 4.03Å; Y256-Y288 WeakPolarHBondContact CE1-O 3.29Å; Y256-Y288 WeakPolarHBondContact OH-CA 3.26Å; Y256-Y288 PolarHBondContact OH-O 3.13Å; G282-Y288 WeakPolarHBondContact O-CD2 3.22Å; G282-Y288 PolarHBondContact O-N 2.91Å
289S98Very high96.3Very high0 Ų054.4 Ų54.40%028%0.276CS..SBendtrans-106.6123171.7-66.20000109.9G176 L177 H220 L222 H281G176-S289 CarbonylContact C-O 3.41Å; G176-S289 WeakPolarHBondContact CA-O 3.01Å; L177-S289 PolarHBondContact N-O 3.47Å; L177-S289 VanDerWaalsContact N-O 3.14Å; H220-S289 CarbonylContact O-C 3.48Å; H220-S289 VanDerWaalsContact O-CA 3.25Å; H220-S289 WeakPolarHBondContact O-CA 3.46Å; L222-S289 PolarHBondContact N-OG 3.3Å; L222-S289 PolarHBondContact O-OG 3.05Å; H281-S289 WeakPolarHBondContact O-CB 3.33Å; H281-S289 PolarHBondContact O-N 3.33Å; H281-S289 PolarHBondContact O-OG 2.93Å
290T98.8Very high96.5Very high13 Ų1354.1 Ų54.18%0.0828%0.277CS..EExtended strand (participates in β ladder)trans-139.6150.1-172.962.50000112.6Y174 V175 Y219 H220 K287Y174-T290 HydrophobicContact CE2-CG2 3.8Å; Y174-T290 WeakPolarHBondContact OH-CG2 3.22Å; V175-T290 VanDerWaalsContact O-CA 3.24Å; V175-T290 WeakPolarHBondContact O-CA 3.48Å; Y219-T290 WeakPolarHBondContact CA-O 3.29Å; H220-T290 PolarHBondContact N-O 2.87Å; H220-T290 PolarHBondContact O-N 2.91Å; K287-T290 WeakPolarHBondContact O-CG2 3.47Å
291F98.9Very high96.6Very high0 Ų056.9 Ų56.90%029%0.291CS..EExtended strand (participates in β ladder)trans-135.6137.3170.5-179.6-144.9000109.3F173 V175 F189 Y200 F217 T218 L235 V271 V273F173-F291 HydrophobicContact CE2-CB 4.49Å; F173-F291 AromaticContact CE2-CD1 3.56Å; F173-F291 HydrophobicContact CE2-CD1 3.56Å; F173-F291 HydrophobicContact CE2-CD2 4.37Å; F173-F291 AromaticContact CE2-CE1 3.77Å; F173-F291 HydrophobicContact CE2-CE1 3.77Å; F173-F291 AromaticContact CE2-CG 3.87Å; F173-F291 HydrophobicContact CE2-CG 3.87Å; F173-F291 HydrophobicContact CE2-CZ 4.26Å; F173-F291 AromaticContact CZ-CD1 3.85Å; F173-F291 HydrophobicContact CZ-CD1 3.85Å; F173-F291 HydrophobicContact CZ-CD2 4.28Å; F173-F291 AromaticContact CZ-CE1 3.58Å; F173-F291 HydrophobicContact CZ-CE1 3.58Å; F173-F291 HydrophobicContact CZ-CE2 4.04Å; F173-F291 HydrophobicContact CZ-CG 4.19Å; F173-F291 AromaticContact CZ-CZ 3.68Å; F173-F291 HydrophobicContact CZ-CZ 3.68Å; V175-F291 HydrophobicContact CG2-CB 3.93Å; V175-F291 VanDerWaalsContact CG2-O 3.29Å; V175-F291 WeakPolarHBondContact CG2-O 3.39Å; V175-F291 PolarHBondContact N-O 3.01Å; V175-F291 PolarHBondContact O-N 2.85Å; F189-F291 HydrophobicContact CD1-CB 4.31Å; F189-F291 HydrophobicContact CD2-CB 3.72Å; F189-F291 HydrophobicContact CD2-CD1 4.21Å; F189-F291 HydrophobicContact CD2-CG 4.41Å; F189-F291 HydrophobicContact CE1-CB 4.1Å; F189-F291 HydrophobicContact CE2-CB 3.47Å; F189-F291 VanDerWaalsContact CE2-CB 3.47Å; F189-F291 HydrophobicContact CE2-CD1 4.17Å; F189-F291 HydrophobicContact CE2-CG 4.11Å; F189-F291 HydrophobicContact CG-CB 4.14Å; F189-F291 HydrophobicContact CZ-CB 3.67Å; Y200-F291 HydrophobicContact CE2-CD1 4.19Å; F217-F291 HydrophobicContact CB-CE2 4.19Å; F217-F291 AromaticContact CD1-CE2 3.97Å; F217-F291 HydrophobicContact CD1-CE2 3.97Å; F217-F291 AromaticContact CD1-CZ 3.88Å; F217-F291 HydrophobicContact CD1-CZ 3.88Å; T218-F291 WeakPolarHBondContact O-CD2 3.31Å; L235-F291 HydrophobicContact CD1-CE2 3.67Å; L235-F291 HydrophobicContact CD1-CZ 3.81Å; V271-F291 HydrophobicContact CG1-CZ 4.25Å; V273-F291 HydrophobicContact CG2-CD1 4.28Å; V273-F291 HydrophobicContact CG2-CD2 3.99Å; V273-F291 HydrophobicContact CG2-CE1 4.46Å; V273-F291 HydrophobicContact CG2-CE2 4.18Å; V273-F291 HydrophobicContact CG2-CG 4.07Å; V273-F291 HydrophobicContact CG2-CZ 4.41Å
292S98.9Very high96.6Very high24 Ų2458.4 Ų58.417%0.16830%0.3CS..EExtended strand (participates in β ladder)trans-145157.517859.10000111.6F173 F217 T218F173-S292 VanDerWaalsContact O-CA 3.26Å; F173-S292 WeakPolarHBondContact O-CA 3.48Å; F173-S292 WeakPolarHBondContact O-CB 3.32Å; F217-S292 WeakPolarHBondContact CA-O 3.24Å; T218-S292 WeakPolarHBondContact CG2-OG 3.46Å; T218-S292 PolarHBondContact N-O 3.21Å; T218-S292 PolarHBondContact O-N 3.25Å; T218-S292 PolarHBondContact O-OG 3.1Å
293G98.8Very high96.7Very high0 Ų061.8 Ų61.80%032%0.316CS..EExtended strand (participates in β ladder)trans-170.8162.3171.200000112.3A172 F173 F216A172-G293 CarbonylContact C-O 3.54Å; A172-G293 WeakPolarHBondContact CA-O 3.29Å; F173-G293 WeakPolarHBondContact CD1-O 3.4Å; F173-G293 VanDerWaalsContact CE1-CA 3.49Å; F173-G293 VanDerWaalsContact CE1-N 3.29Å; F173-G293 PolarHBondContact N-O 3.41Å; F173-G293 PolarHBondContact O-N 3.14Å; F173-G293 VanDerWaalsContact O-N 3.11Å; F216-G293 CarbonylContact O-C 3.54Å; F216-G293 WeakPolarHBondContact O-CA 3Å
294F98.7Very high96.9Very high83 Ų8363.3 Ų63.336%0.36431%0.312SS..EExtended strand (participates in β ladder)trans-156.6156.2-179.253.6-89.9000111I171 A172 Y215 F216 L296I171-F294 VanDerWaalsContact O-CA 3.24Å; I171-F294 WeakPolarHBondContact O-CA 3.28Å; I171-F294 WeakPolarHBondContact O-CB 3.12Å; A172-F294 HydrophobicContact CB-CB 3.8Å; Y215-F294 WeakPolarHBondContact CA-O 3.34Å; F216-F294 HydrophobicContact CB-CE1 4.26Å; F216-F294 HydrophobicContact CB-CE2 4.12Å; F216-F294 HydrophobicContact CB-CZ 3.96Å; F216-F294 HydrophobicContact CD1-CD1 4.14Å; F216-F294 AromaticContact CD1-CE1 3.38Å; F216-F294 HydrophobicContact CD1-CE1 3.38Å; F216-F294 AromaticContact CD1-CZ 3.65Å; F216-F294 HydrophobicContact CD1-CZ 3.65Å; F216-F294 HydrophobicContact CE1-CE1 4.1Å; F216-F294 HydrophobicContact CE1-CZ 4.46Å; F216-F294 HydrophobicContact CG-CE1 4.18Å; F216-F294 HydrophobicContact CG-CZ 4.04Å; F216-F294 PolarHBondContact N-O 3Å; F216-F294 PolarHBondContact O-N 3.38Å; F294-L296 HydrophobicContact CD2-CD2 4.24Å; F294-L296 HydrophobicContact CE2-CD2 3.61Å; F294-L296 HydrophobicContact CE2-CG 4.31Å
295I98.2Very high97.1Very high20 Ų2057.9 Ų57.910%0.10328%0.281CS..EExtended strand (participates in β ladder)trans-72.7133.5172.4-167171.3000109.8Y169 I171 V211 Y215 P298Y169-I295 WeakPolarHBondContact O-CG2 3.28Å; I171-I295 HydrophobicContact CB-CB 4.21Å; I171-I295 HydrophobicContact CB-CG2 3.88Å; I171-I295 HydrophobicContact CD1-CD1 4.33Å; I171-I295 HydrophobicContact CG1-CG2 4.44Å; I171-I295 PolarHBondContact O-N 3.41Å; V211-I295 HydrophobicContact CG1-CD1 4.25Å; Y215-I295 HydrophobicContact CD1-CB 3.9Å; Y215-I295 HydrophobicContact CD1-CG1 4.34Å; Y215-I295 HydrophobicContact CE1-CB 3.54Å; Y215-I295 HydrophobicContact CE1-CD1 4.31Å; Y215-I295 HydrophobicContact CE1-CG1 3.93Å; Y215-I295 HydrophobicContact CE2-CD1 4.35Å; Y215-I295 HydrophobicContact CE2-CG1 4.23Å; I295-P298 HydrophobicContact CD1-CB 4.05Å
296L97.3Very high97.3Very high63 Ų6356.4 Ų56.433%0.3327%0.271SS..EExtended strand (participates in β ladder)trans-90.3-56.8170.2-70.9169.6000109.7I214 F216 V262 F294I214-L296 HydrophobicContact CG2-CB 4.37Å; I214-L296 HydrophobicContact CG2-CD1 4.01Å; I214-L296 WeakPolarHBondContact O-CB 3.37Å; I214-L296 PolarHBondContact O-N 3.14Å; F216-L296 HydrophobicContact CB-CD1 4.17Å; F216-L296 HydrophobicContact CB-CG 4.34Å; V262-L296 HydrophobicContact CG1-CD1 4.07Å; V262-L296 HydrophobicContact CG2-CD1 4.4Å; F294-L296 HydrophobicContact CD2-CD2 4.24Å; F294-L296 HydrophobicContact CE2-CD2 3.61Å; F294-L296 HydrophobicContact CE2-CG 4.31Å
297Y93.7Very high97.3Very high158 Ų15857.7 Ų57.762%0.6228%0.276SS*.EExtended strand (participates in β ladder)trans-141.8128.1-178.3-47.8-67.4000109.8G213 I214G213-Y297 CarbonylContact C-O 3.52Å; G213-Y297 VanDerWaalsContact CA-O 3.26Å; G213-Y297 WeakPolarHBondContact CA-O 3.32Å; I214-Y297 HydrophobicContact CB-CD2 4.48Å; I214-Y297 PolarHBondContact N-O 3.34Å; I214-Y297 PolarHBondContact O-N 3.43Å
298P95.9Very high97.3Very high58 Ų5855.9 Ų55.938%0.37727%0.27SS..EExtended strand (participates in β ladder)trans-70.2153.7165.534.9-37.7000110.2Y169 V211 I295Y169-P298 HydrophobicContact CD2-CB 3.51Å; Y169-P298 HydrophobicContact CD2-CG 3.75Å; Y169-P298 HydrophobicContact CE2-CB 3.94Å; Y169-P298 HydrophobicContact CE2-CG 4.31Å; Y169-P298 HydrophobicContact CG-CB 4.35Å; V211-P298 HydrophobicContact CG1-CB 4.2Å; I295-P298 HydrophobicContact CD1-CB 4.05Å
299D93.3Very high97.3Very high149 Ų14951.6 Ų51.680%0.79726%0.258SS*.  trans-70.40170.4-68.6-19.8000113S212 G213 H264S212-D299 VanDerWaalsContact CB-OD2 3.25Å; S212-D299 WeakPolarHBondContact CB-OD2 3.36Å; S212-D299 PolarHBondContact O-N 3.12Å; G213-D299 WeakPolarHBondContact CA-OD1 3.26Å; G213-D299 PolarHBondContact N-OD2 3.34Å; H264-D299 IonicContact CD2-OD1 2.94Å; H264-D299 IonicContact CD2-OD2 2.64Å; H264-D299 IonicContact CE1-OD2 3.94Å; H264-D299 IonicContact NE2-OD1 2.69Å; H264-D299 PolarHBondContact NE2-OD1 2.93Å; H264-D299 IonicContact NE2-OD2 3.27Å; H264-D299 PolarHBondContact NE2-OD2 3.01Å

Retrieved 299 of 299 residues in 114.1 ms (Link to these results)