A0A087Y527_POEFO Loading...

Family with sequence similarity 187 member A

AlphaFold DB , UniProt , Accession A0A087Y527, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 395 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
1M53.3Low55.6Low197 Ų197115.1 Ų115.197%0.9763%0.633SS**  0-480-83.2178.371.300113.1T4 C5M1-T4 VanDerWaalsContact CA-OG1 3.26Å; M1-T4 WeakPolarHBondContact CA-OG1 3.46Å; M1-T4 PolarHBondContact O-N 2.99Å; M1-T4 PolarHBondContact O-OG1 2.89Å; M1-C5 PolarHBondContact O-N 3.48Å; M1-C5 VanDerWaalsContact O-N 3.13Å
2I56.8Low54.9Low141 Ų141111.5 Ų111.572%0.72362%0.62SS**Hα-helixtrans-66.9-40.8178.9-62.9169.9000111.9T4 C5 L6I2-T4 PolarHBondContact O-N 2.81Å; I2-C5 PolarHBondContact O-N 2.87Å; I2-L6 HydrophobicContact CG2-CD1 4.44Å; I2-L6 PolarHBondContact O-N 3.4Å; I2-L6 VanDerWaalsContact O-N 3.09Å
3L51.8Low54Low140 Ų140107.9 Ų107.973%0.73361%0.608SS**Hα-helixtrans-67.6-35.6178.9-158.775000112.8L6 V7L3-L6 PolarHBondContact O-N 3.2Å; L3-V7 WeakPolarHBondContact O-CG2 3.01Å; L3-V7 PolarHBondContact O-N 3.27Å
4T54.9Low53.3Low92 Ų92107.7 Ų107.756%0.56461%0.61SS**Hα-helixtrans-71.4-36.7176.231.90000112.1M1 I2 V8M1-T4 VanDerWaalsContact CA-OG1 3.26Å; M1-T4 WeakPolarHBondContact CA-OG1 3.46Å; M1-T4 PolarHBondContact O-N 2.99Å; M1-T4 PolarHBondContact O-OG1 2.89Å; I2-T4 PolarHBondContact O-N 2.81Å; T4-V8 WeakPolarHBondContact O-CG2 3.33Å; T4-V8 PolarHBondContact O-N 3.39Å; T4-V8 VanDerWaalsContact O-N 3.16Å
5C54.3Low52.3Low86 Ų86108.1 Ų108.158%0.58162%0.615SS**Hα-helixtrans-64.4-39.6171.4-85.40000112.6M1 I2 V8 V9M1-C5 PolarHBondContact O-N 3.48Å; M1-C5 VanDerWaalsContact O-N 3.13Å; I2-C5 PolarHBondContact O-N 2.87Å; C5-V8 PolarHBondContact O-N 3.31Å; C5-V9 VanDerWaalsContact O-CG2 3.3Å; C5-V9 WeakPolarHBondContact O-CG2 3.31Å; C5-V9 PolarHBondContact O-N 2.96Å
6L57.2Low51.3Low98 Ų98115.2 Ų115.251%0.51363%0.629SS.*Hα-helixtrans-64.6-40.9178.9-112.5143.5000112.3I2 L3 V9 L10I2-L6 HydrophobicContact CG2-CD1 4.44Å; I2-L6 PolarHBondContact O-N 3.4Å; I2-L6 VanDerWaalsContact O-N 3.09Å; L3-L6 PolarHBondContact O-N 3.2Å; L6-V9 PolarHBondContact O-N 2.86Å; L6-L10 HydrophobicContact CD2-CD1 4.13Å; L6-L10 WeakPolarHBondContact O-CB 3.28Å; L6-L10 WeakPolarHBondContact O-CD1 3.43Å; L6-L10 PolarHBondContact O-N 3.46Å
7V61Low50.5Low86 Ų86113.6 Ų113.652%0.52163%0.628SS.*Hα-helixtrans-65.8-39.3175.6173.60000111.5L3 L10 M11L3-V7 WeakPolarHBondContact O-CG2 3.01Å; L3-V7 PolarHBondContact O-N 3.27Å; V7-L10 PolarHBondContact O-N 2.91Å; V7-M11 HydrophobicContact CG1-CG 4.37Å; V7-M11 WeakPolarHBondContact O-CB 3.48Å; V7-M11 WeakPolarHBondContact O-CG 3.28Å; V7-M11 PolarHBondContact O-N 3.44Å
8V59.5Low49.9Very low93 Ų93118.3 Ų118.356%0.56464%0.642SS**Hα-helixtrans-67.4-40.7177.1173.30000111.6T4 C5 M11 C12T4-V8 WeakPolarHBondContact O-CG2 3.33Å; T4-V8 PolarHBondContact O-N 3.39Å; T4-V8 VanDerWaalsContact O-N 3.16Å; C5-V8 PolarHBondContact O-N 3.31Å; V8-M11 PolarHBondContact O-N 3.47Å; V8-C12 PolarHBondContact O-N 2.95Å
9V57.8Low49Very low102 Ų102120.8 Ų120.862%0.61865%0.648SS**Hα-helixtrans-67.1-40176.9173.40000111.6C5 L6 C12 S13C5-V9 VanDerWaalsContact O-CG2 3.3Å; C5-V9 WeakPolarHBondContact O-CG2 3.31Å; C5-V9 PolarHBondContact O-N 2.96Å; L6-V9 PolarHBondContact O-N 2.86Å; V9-C12 PolarHBondContact O-N 2.86Å; V9-S13 PolarHBondContact O-N 3.42Å; V9-S13 VanDerWaalsContact O-N 3.12Å
10L54.4Low48.2Very low103 Ų103118.3 Ų118.354%0.53965%0.645SS.*Hα-helixtrans-64-42173.8-92.7145.9000111.8L6 V7 S13 V14L6-L10 HydrophobicContact CD2-CD1 4.13Å; L6-L10 WeakPolarHBondContact O-CB 3.28Å; L6-L10 WeakPolarHBondContact O-CD1 3.43Å; L6-L10 PolarHBondContact O-N 3.46Å; V7-L10 PolarHBondContact O-N 2.91Å; L10-S13 PolarHBondContact O-N 3.13Å; L10-S13 PolarHBondContact O-OG 2.04Å; L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 3.32Å
11M50.8Low47.7Very low128 Ų128118.3 Ų118.363%0.63165%0.651SS**Hα-helixtrans-67.4-34.9176.3-67.7-68.2-87.200112.3V7 V8 V14 V15V7-M11 HydrophobicContact CG1-CG 4.37Å; V7-M11 WeakPolarHBondContact O-CB 3.48Å; V7-M11 WeakPolarHBondContact O-CG 3.28Å; V7-M11 PolarHBondContact O-N 3.44Å; V8-M11 PolarHBondContact O-N 3.47Å; M11-V14 PolarHBondContact O-N 3.42Å; M11-V15 WeakPolarHBondContact O-CG2 3.49Å; M11-V15 PolarHBondContact O-N 3.36Å
12C46.6Very low47.1Very low72 Ų72117.8 Ų117.849%0.48665%0.647SS.*Hα-helixtrans-64.9-36.6173.3-80.60000112.9V8 V9 V14 V15 W16V8-C12 PolarHBondContact O-N 2.95Å; V9-C12 PolarHBondContact O-N 2.86Å; C12-V14 VanDerWaalsContact C-N 3.33Å; C12-V14 PolarHBondContact O-N 3.42Å; C12-V15 PolarHBondContact O-N 3.09Å; C12-W16 PolarHBondContact O-N 2.84Å
13S44.2Very low46.5Very low65 Ų65120 Ų12046%0.45565%0.654SS.*Hα-helixtrans-68.9-29.5178.769.60000113.7V9 L10 W16 S17V9-S13 PolarHBondContact O-N 3.42Å; V9-S13 VanDerWaalsContact O-N 3.12Å; L10-S13 PolarHBondContact O-N 3.13Å; L10-S13 PolarHBondContact O-OG 2.04Å; S13-W16 PolarHBondContact O-N 3Å; S13-S17 PolarHBondContact O-OG 3.18Å
14V43.3Very low46.3Very low105 Ų105122.8 Ų122.864%0.63666%0.66SS**Hα-helixtrans-74.8-29.8175.7177.90000111.6L10 M11 C12 W16L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 3.32Å; M11-V14 PolarHBondContact O-N 3.42Å; C12-V14 VanDerWaalsContact C-N 3.33Å; C12-V14 PolarHBondContact O-N 3.42Å; V14-W16 VanDerWaalsContact C-N 3.31Å
15V38.6Very low46Very low113 Ų113127.1 Ų127.169%0.68567%0.671SS**Hα-helixtrans-75.2-23175.9-178.60000111.8M11 C12M11-V15 WeakPolarHBondContact O-CG2 3.49Å; M11-V15 PolarHBondContact O-N 3.36Å; C12-V15 PolarHBondContact O-N 3.09Å
16W36.6Very low46.1Very low222 Ų222127.4 Ų127.484%0.84167%0.667SS**THydrogen-bonded Turntrans-91.84.2-176.4-85.550.3000115.5C12 S13 V14C12-W16 PolarHBondContact O-N 2.84Å; S13-W16 PolarHBondContact O-N 3Å; V14-W16 VanDerWaalsContact C-N 3.31Å
17S37.2Very low46Very low88 Ų88127.5 Ų127.562%0.61567%0.671SS**THydrogen-bonded Turntrans-114.719.2-177.8320000114.5S13 E19S13-S17 PolarHBondContact O-OG 3.18Å; S17-E19 PolarHBondContact O-N 2.98Å; S17-E19 VanDerWaalsContact O-N 3.15Å
18F39.8Very low45.9Very low199 Ų199124.6 Ų124.687%0.87365%0.652SS**  trans-84.165.4157.3-125-87.1000109.5A20F18-A20 PolarHBondContact O-N 3.2Å; F18-A20 VanDerWaalsContact O-N 3.11Å
19E32.8Very low45.7Very low165 Ų165123.9 Ų123.977%0.77165%0.651SS**  trans-65.4108.1162.9-158.376.8-140.900105.8S17S17-E19 PolarHBondContact O-N 2.98Å; S17-E19 VanDerWaalsContact O-N 3.15Å
20A33.3Very low45.8Very low71 Ų71123.7 Ų123.759%0.58765%0.654SS**  trans-54.3134.7166.600000107F18 E22F18-A20 PolarHBondContact O-N 3.2Å; F18-A20 VanDerWaalsContact O-N 3.11Å; A20-E22 PolarHBondContact O-N 2.92Å; A20-E22 VanDerWaalsContact O-N 3.13Å
21P37.9Very low46.3Very low119 Ų119122.3 Ų122.377%0.77365%0.65SS**  trans-52.8128.1178.820.7-30.2000108.5E23P21-E23 PolarHBondContact O-N 3.45Å
22E39.4Very low47.3Very low186 Ų186120.7 Ų120.787%0.86966%0.657SS**  trans-35.8125.4-179.3-78.3-177.3158.900110.2A20 K24A20-E22 PolarHBondContact O-N 2.92Å; A20-E22 VanDerWaalsContact O-N 3.13Å; E22-K24 PolarHBondContact O-N 3.45Å
23E44.8Very low48.8Very low188 Ų188119.4 Ų119.488%0.87965%0.648SS**  trans-42.1106.6-176.6-73.2178.8153.600110.1P21 K25P21-E23 PolarHBondContact O-N 3.45Å; E23-K25 PolarHBondContact O-N 2.03Å
24K48.4Very low50.3Low198 Ų198118.8 Ų118.886%0.86164%0.643SS**  trans-51.1116.2157.4-92.2-179.8174176.80105.2E22 D26E22-K24 PolarHBondContact O-N 3.45Å; K24-D26 PolarHBondContact O-N 3.39Å
25K48.7Very low51.8Low183 Ų183118.4 Ų118.480%0.79665%0.65SS**  trans-19.1121.6171.3-74.4179.9174.4179.70110.4E23 V27E23-K25 PolarHBondContact O-N 2.03Å; K25-V27 PolarHBondContact O-N 2.84Å
26D56.4Low53.7Low91 Ų91121.4 Ų121.449%0.48765%0.654SS.*  trans-41.6115.6179.5-175.8-3.8000109.1K24 F28 S29K24-D26 PolarHBondContact O-N 3.39Å; D26-F28 PolarHBondContact O-N 3.14Å; D26-F28 WeakPolarHBondContact OD1-CB 3.39Å; D26-F28 WeakPolarHBondContact OD1-CD2 3.17Å; D26-F28 PolarHBondContact OD1-N 2.97Å; D26-S29 WeakPolarHBondContact O-CB 3.46Å; D26-S29 PolarHBondContact O-N 2.84Å; D26-S29 PolarHBondContact O-OG 2.9Å
27V55.3Low55.8Low100 Ų100112.7 Ų112.761%0.60662%0.624SS**THydrogen-bonded Turntrans-57.4-22.2-175.8176.10000110.4K25 S30K25-V27 PolarHBondContact O-N 2.84Å; V27-S30 PolarHBondContact O-OG 3.28Å
28F58.3Low57.9Low26 Ų26110.2 Ų110.211%0.11461%0.605CS.*THydrogen-bonded Turntrans-81.8-21.8176.9-56.8-65.8000114D26 S30 T31 C54 K57 F110D26-F28 PolarHBondContact O-N 3.14Å; D26-F28 WeakPolarHBondContact OD1-CB 3.39Å; D26-F28 WeakPolarHBondContact OD1-CD2 3.17Å; D26-F28 PolarHBondContact OD1-N 2.97Å; F28-S30 VanDerWaalsContact C-N 3.27Å; F28-S30 PolarHBondContact O-N 2.76Å; F28-T31 PolarHBondContact O-N 3.29Å; F28-C54 WeakPolarHBondContact CE1-O 3.24Å; F28-K57 HydrophobicContact CD1-CB 4.13Å; F28-K57 HydrophobicContact CE1-CB 4.39Å; F28-K57 HydrophobicContact CG-CB 4.3Å; F28-F110 AromaticContact CE2-CD2 3.47Å; F28-F110 HydrophobicContact CE2-CD2 3.47Å; F28-F110 VanDerWaalsContact CE2-CD2 3.47Å; F28-F110 AromaticContact CE2-CE2 3.77Å; F28-F110 HydrophobicContact CE2-CE2 3.77Å; F28-F110 HydrophobicContact CE2-CG 4.21Å; F28-F110 HydrophobicContact CZ-CB 4.1Å; F28-F110 AromaticContact CZ-CD2 3.7Å; F28-F110 HydrophobicContact CZ-CD2 3.7Å; F28-F110 HydrophobicContact CZ-CE2 4.44Å; F28-F110 HydrophobicContact CZ-CG 4.09Å
29S55Low60.1Low78 Ų78100.8 Ų100.855%0.54556%0.564SS.*THydrogen-bonded Turntrans-69.7-20.4-179.367.90000114.1D26D26-S29 WeakPolarHBondContact O-CB 3.46Å; D26-S29 PolarHBondContact O-N 2.84Å; D26-S29 PolarHBondContact O-OG 2.9Å
30S60.3Low62.7Low97 Ų9794.1 Ų94.168%0.67853%0.534SS*.THydrogen-bonded Turntrans-89.4-13.1-177.566.80000114.4V27 F28V27-S30 PolarHBondContact O-OG 3.28Å; F28-S30 VanDerWaalsContact C-N 3.27Å; F28-S30 PolarHBondContact O-N 2.76Å
31T65.6Low65.4Low75 Ų7592.1 Ų92.146%0.4651%0.514SS..  trans-138.8107.3-167.6-30.40000111.3F28F28-T31 PolarHBondContact O-N 3.29Å
32A71.6Confident67.9Low94 Ų9487.1 Ų87.178%0.77748%0.483SS*.PPolyproline II helixtrans-64.8142.2174.600000111.3
33C77Confident70.3Confident45 Ų4578.7 Ų78.730%0.30445%0.445SS..PPolyproline II helixtrans-66.1146.4173.5-76.50000111.9A35 C56 K57C33-A35 PolarHBondContact O-N 3.17Å; C33-C56 WeakPolarHBondContact CA-SG 3.09Å; C33-C56 HydrophobicContact CB-CB 3.94Å; C33-C56 WeakPolarHBondContact CB-SG 3.4Å; C33-C56 WeakPolarHBondContact SG-CB 3.05Å; C33-C56 CovalentContact SG-SG 2.04Å; C33-C56 PolarHBondContact SG-SG 2.97Å; C33-K57 PolarHBondContact SG-N 3.33Å
34P76.6Confident72.5Confident52 Ų5271.7 Ų71.734%0.33841%0.411SS..PPolyproline II helixtrans-56.1139.5170-22.833.9000111.3F36P34-F36 WeakPolarHBondContact CB-O 3.47Å; P34-F36 PolarHBondContact O-N 3.34Å
35A73.9Confident74.5Confident97 Ų9762.5 Ų62.580%0.80237%0.372SS*.SBendtrans-64.3-19.6177.900000113.6C33C33-A35 PolarHBondContact O-N 3.17Å
36F78.1Confident76.4Confident175 Ų17554.4 Ų54.477%0.76834%0.339SS*.SBendtrans-130.4145.9175.5-59.3-79.1000109.1P34 T38P34-F36 WeakPolarHBondContact CB-O 3.47Å; P34-F36 PolarHBondContact O-N 3.34Å; F36-T38 PolarHBondContact O-N 3.38Å
37L81.8Confident77.5Confident40 Ų4050.7 Ų50.721%0.20932%0.322CS..  trans-62.3105.8176.9-175.464.6000110.4F39 I126 F134L37-F39 HydrophobicContact CD2-CE2 4.13Å; L37-F39 HydrophobicContact CD2-CZ 3.74Å; L37-F39 HydrophobicContact CG-CE2 4.11Å; L37-F39 HydrophobicContact CG-CZ 4.04Å; L37-I126 HydrophobicContact CD1-CG2 4.17Å; L37-I126 HydrophobicContact CD2-CD1 4.23Å; L37-I126 HydrophobicContact CD2-CG2 4.21Å; L37-F134 HydrophobicContact CD1-CB 4.02Å; L37-F134 HydrophobicContact CD2-CB 3.94Å; L37-F134 HydrophobicContact CD2-CD2 4.16Å; L37-F134 HydrophobicContact CD2-CG 4.33Å
38T81.6Confident78.9Confident35 Ų3546.7 Ų46.722%0.21530%0.298CS..  trans-104.3145.4174.354.10000110.4F36 G137F36-T38 PolarHBondContact O-N 3.38Å; T38-G137 PolarHBondContact O-N 3.44Å
39F85.6Confident80.1Confident1 Ų146.6 Ų46.60%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-104.1124178.6-68-86.9000110.6L37 W72 L124 I126 G137 D139 R205 Y206L37-F39 HydrophobicContact CD2-CE2 4.13Å; L37-F39 HydrophobicContact CD2-CZ 3.74Å; L37-F39 HydrophobicContact CG-CE2 4.11Å; L37-F39 HydrophobicContact CG-CZ 4.04Å; F39-W72 HydrophobicContact CE2-CE3 4.04Å; F39-W72 HydrophobicContact CE2-CH2 4.47Å; F39-W72 AromaticContact CE2-CZ3 3.59Å; F39-W72 HydrophobicContact CE2-CZ3 3.59Å; F39-W72 HydrophobicContact CZ-CE3 4.13Å; F39-W72 AromaticContact CZ-CZ3 3.66Å; F39-W72 HydrophobicContact CZ-CZ3 3.66Å; F39-L124 HydrophobicContact CD1-CB 4.45Å; F39-L124 HydrophobicContact CD1-CD2 3.99Å; F39-L124 HydrophobicContact CE1-CB 3.97Å; F39-L124 HydrophobicContact CE1-CD1 4.21Å; F39-L124 HydrophobicContact CE1-CD2 4.2Å; F39-L124 HydrophobicContact CE1-CG 4.37Å; F39-L124 HydrophobicContact CG-CD2 4.48Å; F39-L124 HydrophobicContact CZ-CD1 4.26Å; F39-I126 HydrophobicContact CE1-CD1 4.11Å; F39-I126 HydrophobicContact CE1-CG1 3.71Å; F39-I126 HydrophobicContact CZ-CD1 4.07Å; F39-I126 HydrophobicContact CZ-CG1 4.12Å; F39-G137 WeakPolarHBondContact CA-O 3.22Å; F39-D139 HydrophobicContact CB-CB 4.16Å; F39-R205 PolarHBondContact N-O 3.12Å; F39-Y206 HydrophobicContact CB-CD1 3.51Å; F39-Y206 HydrophobicContact CB-CE1 3.77Å; F39-Y206 HydrophobicContact CB-CG 4.43Å; F39-Y206 HydrophobicContact CD2-CE1 4.21Å; F39-Y206 HydrophobicContact CG-CD1 4.23Å; F39-Y206 AromaticContact CG-CE1 3.99Å; F39-Y206 HydrophobicContact CG-CE1 3.99Å
40T87.6Confident81.6Confident25 Ų2542.9 Ų42.915%0.15327%0.274CS..EExtended strand (participates in β ladder)trans-85.2124.7171.2-57.90000109.2A42 Y136 G137 Y138 D139 L208T40-A42 PolarHBondContact O-N 2.75Å; T40-Y136 PolarHBondContact OG1-OH 3.49Å; T40-G137 PolarHBondContact N-O 3.09Å; T40-Y138 HydrophobicContact CG2-CD1 4.45Å; T40-Y138 HydrophobicContact CG2-CE1 4.39Å; T40-Y138 WeakPolarHBondContact O-CA 3.11Å; T40-D139 PolarHBondContact O-N 3.16Å; T40-L208 HydrophobicContact CG2-CD1 4.16Å
41N88.6Confident83Confident30 Ų3043.2 Ų43.216%0.1626%0.264CS..EExtended strand (participates in β ladder)trans-69.8124.1174.7-176-105.4000110.3D139 S215 S218N41-D139 PolarHBondContact ND2-OD2 2.7Å; N41-S215 PolarHBondContact ND2-N 3.44Å; N41-S215 WeakPolarHBondContact OD1-CB 3.4Å; N41-S215 PolarHBondContact OD1-N 3.32Å; N41-S218 WeakPolarHBondContact ND2-CB 3.13Å
42A90.8Very high84.2Confident14 Ų1439.7 Ų39.712%0.11624%0.243CC..EExtended strand (participates in β ladder)trans-128125.2177.800000109.3T40 F44 Y138 D139 L140 D141T40-A42 PolarHBondContact O-N 2.75Å; A42-F44 HydrophobicContact CB-CE2 4.07Å; A42-Y138 HydrophobicContact CB-CD1 4.03Å; A42-D139 PolarHBondContact N-O 2.81Å; A42-L140 HydrophobicContact CB-CD1 4.2Å; A42-L140 WeakPolarHBondContact O-CA 3.47Å; A42-D141 PolarHBondContact O-N 3.16Å
43A91Very high85.1Confident8 Ų837.1 Ų37.17%0.06622%0.218CC..EExtended strand (participates in β ladder)trans-123.9132-175.200000111.3D141 L194 Y196 S215A43-D141 WeakPolarHBondContact CA-O 3.37Å; A43-L194 HydrophobicContact CB-CD1 3.93Å; A43-L194 VanDerWaalsContact O-CD1 3.25Å; A43-L194 WeakPolarHBondContact O-CD1 3.33Å; A43-Y196 HydrophobicContact CB-CE1 4.11Å; A43-S215 VanDerWaalsContact CB-OG 3.22Å; A43-S215 WeakPolarHBondContact CB-OG 3.4Å
44F91.3Very high85.6Confident41 Ų4135.3 Ų35.318%0.1821%0.206CC..EExtended strand (participates in β ladder)trans-136.3162.8178.3-63.2-93.9000110.8A42 V48 V50 L140 D141 I142 Q143A42-F44 HydrophobicContact CB-CE2 4.07Å; F44-V48 HydrophobicContact CB-CG2 3.93Å; F44-V48 HydrophobicContact CD1-CG2 4.17Å; F44-V48 HydrophobicContact CG-CG2 4.41Å; F44-V50 HydrophobicContact CB-CG2 4.06Å; F44-V50 HydrophobicContact CD1-CG2 4.13Å; F44-V50 HydrophobicContact CD2-CG1 3.93Å; F44-V50 HydrophobicContact CD2-CG2 3.93Å; F44-V50 HydrophobicContact CE1-CG1 4.48Å; F44-V50 HydrophobicContact CE2-CG1 3.61Å; F44-V50 HydrophobicContact CE2-CG2 4.4Å; F44-V50 HydrophobicContact CG-CG1 4.48Å; F44-V50 HydrophobicContact CG-CG2 3.78Å; F44-V50 HydrophobicContact CZ-CG1 3.92Å; F44-L140 HydrophobicContact CD2-CD1 3.59Å; F44-L140 HydrophobicContact CE2-CD1 3.87Å; F44-D141 PolarHBondContact N-O 2.79Å; F44-I142 HydrophobicContact CB-CD1 3.83Å; F44-I142 HydrophobicContact CD2-CD1 4.43Å; F44-I142 WeakPolarHBondContact O-CA 3.28Å; F44-Q143 PolarHBondContact O-N 2.93Å
45I89.3Confident85.9Confident5 Ų536.8 Ų36.83%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-88.5144.9171.1-169.1161.4000108.8V48 Q143 A145 I192 L194 V234 T328I45-V48 HydrophobicContact CG2-CG1 3.47Å; I45-V48 VanDerWaalsContact CG2-CG1 3.47Å; I45-V48 WeakPolarHBondContact O-CG2 3.25Å; I45-Q143 CarbonylContact C-O 3.58Å; I45-Q143 WeakPolarHBondContact CA-O 3.25Å; I45-A145 HydrophobicContact CD1-CB 3.52Å; I45-A145 HydrophobicContact CG1-CB 3.98Å; I45-I192 HydrophobicContact CB-CG2 4.07Å; I45-I192 HydrophobicContact CD1-CG2 3.82Å; I45-I192 HydrophobicContact CG2-CD1 3.91Å; I45-I192 HydrophobicContact CG2-CG2 4.25Å; I45-L194 HydrophobicContact CB-CD2 4.16Å; I45-V234 HydrophobicContact CD1-CG2 3.4Å; I45-V234 VanDerWaalsContact CD1-CG2 3.4Å; I45-T328 HydrophobicContact CD1-CG2 3.66Å; I45-T328 HydrophobicContact CG1-CG2 4.07Å
46A87.8Confident86.4Confident14 Ų1432.2 Ų32.212%0.11617%0.17CC..THydrogen-bonded Turntrans-55.9150.6175.800000112A117 P119 I142 Q143 T328A46-A117 CarbonylContact C-O 3.51Å; A46-A117 WeakPolarHBondContact CA-O 3.39Å; A46-P119 HydrophobicContact CB-CG 4.48Å; A46-I142 HydrophobicContact CB-CG2 3.93Å; A46-Q143 PolarHBondContact N-O 3.36Å; A46-T328 WeakPolarHBondContact O-CB 3.08Å; A46-T328 PolarHBondContact O-OG1 3.46Å
47G80.7Confident86.6Confident12 Ų1225.2 Ų25.212%0.12414%0.14CC..THydrogen-bonded Turntrans88.8-13179.300000115.3A117 G329 H331G47-A117 PolarHBondContact N-O 3.01Å; G47-G329 VanDerWaalsContact O-CA 3.27Å; G47-G329 WeakPolarHBondContact O-CA 3.12Å; G47-H331 PolarHBondContact O-CE1 3.37Å
48V84.2Confident86.5Confident16 Ų1625.5 Ų25.510%0.09714%0.144CC..SBendtrans-82.4158.3179.1-54.60000112.1F44 I45 V50 A117F44-V48 HydrophobicContact CB-CG2 3.93Å; F44-V48 HydrophobicContact CD1-CG2 4.17Å; F44-V48 HydrophobicContact CG-CG2 4.41Å; I45-V48 HydrophobicContact CG2-CG1 3.47Å; I45-V48 VanDerWaalsContact CG2-CG1 3.47Å; I45-V48 WeakPolarHBondContact O-CG2 3.25Å; V48-V50 HydrophobicContact CG2-CG2 3.97Å; V48-A117 WeakPolarHBondContact O-CB 3.42Å; V48-A117 PolarHBondContact O-N 3.48Å
49T83.3Confident86.2Confident25 Ų2532 Ų3215%0.15317%0.171CC..PPolyproline II helixtrans-81.4125.4164.3-60.20000109.6I114 F115 P296T49-I114 CarbonylContact C-O 3.56Å; T49-I114 VanDerWaalsContact CA-O 3.24Å; T49-I114 WeakPolarHBondContact CA-O 3.43Å; T49-F115 HydrophobicContact CG2-CD1 3.66Å; T49-F115 HydrophobicContact CG2-CE1 3.97Å; T49-P296 HydrophobicContact CG2-CG 4.2Å; T49-P296 WeakPolarHBondContact O-CB 3.41Å; T49-P296 VanDerWaalsContact O-CG 3.3Å; T49-P296 WeakPolarHBondContact O-CG 3.5Å
50V87.9Confident85.6Confident0 Ų039.6 Ų39.60%021%0.207CC..EExtended strand (participates in β ladder)trans-100.4138.3179.2178.10000109.6F44 V48 L52 L113 I114 A117 L140 I142F44-V50 HydrophobicContact CB-CG2 4.06Å; F44-V50 HydrophobicContact CD1-CG2 4.13Å; F44-V50 HydrophobicContact CD2-CG1 3.93Å; F44-V50 HydrophobicContact CD2-CG2 3.93Å; F44-V50 HydrophobicContact CE1-CG1 4.48Å; F44-V50 HydrophobicContact CE2-CG1 3.61Å; F44-V50 HydrophobicContact CE2-CG2 4.4Å; F44-V50 HydrophobicContact CG-CG1 4.48Å; F44-V50 HydrophobicContact CG-CG2 3.78Å; F44-V50 HydrophobicContact CZ-CG1 3.92Å; V48-V50 HydrophobicContact CG2-CG2 3.97Å; V50-L52 HydrophobicContact CG1-CD2 3.78Å; V50-L52 HydrophobicContact CG1-CG 3.96Å; V50-L113 CarbonylContact O-C 3.58Å; V50-L113 WeakPolarHBondContact O-CA 3.2Å; V50-I114 HydrophobicContact CB-CB 4.2Å; V50-I114 HydrophobicContact CB-CD1 4.5Å; V50-I114 HydrophobicContact CB-CG1 4.5Å; V50-I114 PolarHBondContact N-O 3.05Å; V50-I114 PolarHBondContact O-N 2.81Å; V50-A117 HydrophobicContact CG2-CB 3.8Å; V50-L140 HydrophobicContact CG1-CD1 4.12Å; V50-I142 HydrophobicContact CG2-CD1 3.97Å
51E89Confident84.8Confident103 Ų10339.8 Ų39.848%0.48121%0.208SC..EExtended strand (participates in β ladder)trans-118.9119.4171.7-179.3176.8-174.100108.9P53 L112 L113E51-P53 WeakPolarHBondContact O-CD 3.41Å; E51-L112 CarbonylContact C-O 3.59Å; E51-L112 WeakPolarHBondContact CA-O 3.48Å; E51-L113 HydrophobicContact CB-CD2 3.72Å; E51-L113 HydrophobicContact CG-CD2 3.7Å
52L90.8Very high84Confident2 Ų246.8 Ų46.81%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-111.8100.2176.2-58.6-176.9000108.9V50 W66 S111 L112 I114 Y125 Y138 L140V50-L52 HydrophobicContact CG1-CD2 3.78Å; V50-L52 HydrophobicContact CG1-CG 3.96Å; L52-W66 HydrophobicContact CB-CH2 3.86Å; L52-W66 HydrophobicContact CB-CZ2 4.38Å; L52-W66 HydrophobicContact CB-CZ3 4.38Å; L52-W66 WeakPolarHBondContact O-CZ2 3.3Å; L52-S111 CarbonylContact O-C 3.39Å; L52-S111 VanDerWaalsContact O-CA 3.3Å; L52-S111 WeakPolarHBondContact O-CA 3.01Å; L52-L112 HydrophobicContact CB-CB 4.33Å; L52-L112 HydrophobicContact CD1-CD2 4.44Å; L52-L112 PolarHBondContact N-O 2.78Å; L52-L112 PolarHBondContact O-N 2.94Å; L52-I114 HydrophobicContact CD1-CD1 4.41Å; L52-Y125 HydrophobicContact CD1-CD1 4.24Å; L52-Y125 HydrophobicContact CD1-CD2 4.12Å; L52-Y125 HydrophobicContact CD1-CG 3.78Å; L52-Y138 HydrophobicContact CB-CD2 4.09Å; L52-Y138 HydrophobicContact CB-CE2 4.07Å; L52-Y138 HydrophobicContact CD1-CD2 4.34Å; L52-Y138 HydrophobicContact CD1-CG 4.4Å; L52-Y138 HydrophobicContact CD2-CD1 4.17Å; L52-Y138 HydrophobicContact CD2-CD2 4.37Å; L52-Y138 HydrophobicContact CD2-CE1 4.45Å; L52-Y138 HydrophobicContact CD2-CG 4.1Å; L52-L140 HydrophobicContact CD1-CD2 4.37Å; L52-L140 HydrophobicContact CD2-CD1 4.38Å
53P89.9Confident83.1Confident39 Ų3947.9 Ų47.925%0.25325%0.247SC..  trans-75.4136.2175.828.9-32.8000111.1E51 H55 S111 Y138E51-P53 WeakPolarHBondContact O-CD 3.41Å; P53-H55 VanDerWaalsContact CG-CE1 3.48Å; P53-H55 WeakPolarHBondContact CG-CE1 3.39Å; P53-H55 PolarHBondContact O-N 2.99Å; P53-S111 WeakPolarHBondContact CA-OG 3.31Å; P53-Y138 WeakPolarHBondContact CD-OH 3.27Å; P53-Y138 WeakPolarHBondContact O-CE2 3.2Å; P53-Y138 PolarHBondContact O-OH 3.32Å
54C87.3Confident82.6Confident8 Ų848.2 Ų48.25%0.05425%0.248CC..  trans-74.6120.6163.2-167.80000106.9F28 C56 V64 W66 F110 C127F28-C54 WeakPolarHBondContact CE1-O 3.24Å; C54-C56 PolarHBondContact SG-O 3.31Å; C54-C56 VanDerWaalsContact SG-O 3.35Å; C54-V64 HydrophobicContact CB-CG1 4.2Å; C54-W66 HydrophobicContact CB-CZ2 4.02Å; C54-F110 HydrophobicContact CB-CB 4.49Å; C54-C127 HydrophobicContact CB-CB 3.7Å; C54-C127 WeakPolarHBondContact CB-SG 3.43Å; C54-C127 WeakPolarHBondContact SG-CB 3.27Å; C54-C127 CovalentContact SG-SG 2.06Å; C54-C127 PolarHBondContact SG-SG 2.85Å
55H84.4Confident82.2Confident82 Ų8247.5 Ų47.538%0.3825%0.247SC..  trans-91.2-16-171.6-79.1-51000114.4P53 Y136 Y138P53-H55 VanDerWaalsContact CG-CE1 3.48Å; P53-H55 WeakPolarHBondContact CG-CE1 3.39Å; P53-H55 PolarHBondContact O-N 2.99Å; H55-Y136 HydrophobicContact CB-CD2 4.41Å; H55-Y136 HydrophobicContact CB-CE2 4.22Å; H55-Y136 AromaticContact CD2-CE1 3.84Å; H55-Y136 AromaticContact CD2-CZ 3.73Å; H55-Y138 PolarHBondContact CD2-OH 3.04Å; H55-Y138 PolarHBondContact NE2-OH 3.39Å; H55-Y138 VanDerWaalsContact NE2-OH 3.13Å
56C83.5Confident82Confident2 Ų247.3 Ų47.31%0.01425%0.246CC..  trans-149.6149.5-175.883.10000109C33 C54C33-C56 WeakPolarHBondContact CA-SG 3.09Å; C33-C56 HydrophobicContact CB-CB 3.94Å; C33-C56 WeakPolarHBondContact CB-SG 3.4Å; C33-C56 WeakPolarHBondContact SG-CB 3.05Å; C33-C56 CovalentContact SG-SG 2.04Å; C33-C56 PolarHBondContact SG-SG 2.97Å; C54-C56 PolarHBondContact SG-O 3.31Å; C54-C56 VanDerWaalsContact SG-O 3.35Å
57K81.8Confident81.9Confident28 Ų2847.1 Ų47.112%0.12224%0.243CC..  trans-158141.9174.6-164.5-173.980.1174.80108.8F28 C33 V61 Q62 V64 F135F28-K57 HydrophobicContact CD1-CB 4.13Å; F28-K57 HydrophobicContact CE1-CB 4.39Å; F28-K57 HydrophobicContact CG-CB 4.3Å; C33-K57 PolarHBondContact SG-N 3.33Å; K57-V61 HydrophobicContact CD-CB 3.85Å; K57-V61 HydrophobicContact CD-CG1 3.67Å; K57-V61 WeakPolarHBondContact CE-O 3.11Å; K57-V61 HydrophobicContact CG-CB 3.91Å; K57-V61 HydrophobicContact CG-CG1 4.04Å; K57-V61 VanDerWaalsContact NZ-C 3.3Å; K57-V61 PolarHBondContact NZ-O 3.47Å; K57-Q62 PolarHBondContact NZ-O 3.14Å; K57-V64 HydrophobicContact CD-CG2 3.41Å; K57-V64 VanDerWaalsContact CD-CG2 3.41Å; K57-V64 HydrophobicContact CG-CG2 4.19Å; K57-F135 HydrophobicContact CB-CD2 4.42Å; K57-F135 HydrophobicContact CG-CD2 3.83Å; K57-F135 HydrophobicContact CG-CE2 3.68Å
58P81Confident82.2Confident45 Ų4547.3 Ų47.329%0.29224%0.24SC..  trans-59.7148.7169.4-2132.4000111.9E60 V61 F135P58-E60 VanDerWaalsContact CB-OE2 3.27Å; P58-E60 WeakPolarHBondContact CB-OE2 3.35Å; P58-E60 PolarHBondContact O-N 3.02Å; P58-V61 HydrophobicContact CB-CG2 4.14Å; P58-V61 HydrophobicContact CG-CG2 4.27Å; P58-V61 PolarHBondContact O-N 2.95Å; P58-F135 VanDerWaalsContact CD-CE1 3.42Å; P58-F135 HydrophobicContact CG-CD1 3.93Å; P58-F135 HydrophobicContact CG-CE1 3.56Å; P58-F135 HydrophobicContact CG-CZ 4Å
59E74.4Confident82.2Confident171 Ų17147.4 Ų47.480%0.79924%0.238SC*.THydrogen-bonded Turntrans-63.8-30.2-178.2-68.5-174.1176.600112.1V61E59-V61 PolarHBondContact O-N 3.45Å
60E73.3Confident82.1Confident162 Ų16248.8 Ų48.876%0.75724%0.243SC*.THydrogen-bonded Turntrans-72-18.6-177.4-55.579.1-17100112.8P58P58-E60 VanDerWaalsContact CB-OE2 3.27Å; P58-E60 WeakPolarHBondContact CB-OE2 3.35Å; P58-E60 PolarHBondContact O-N 3.02Å
61V71.7Confident81.7Confident28 Ų2853.3 Ų53.317%0.1726%0.263CS..  trans-87.2135.5-178.2-178.60000107.6K57 P58 E59 S63 F135K57-V61 HydrophobicContact CD-CB 3.85Å; K57-V61 HydrophobicContact CD-CG1 3.67Å; K57-V61 WeakPolarHBondContact CE-O 3.11Å; K57-V61 HydrophobicContact CG-CB 3.91Å; K57-V61 HydrophobicContact CG-CG1 4.04Å; K57-V61 VanDerWaalsContact NZ-C 3.3Å; K57-V61 PolarHBondContact NZ-O 3.47Å; P58-V61 HydrophobicContact CB-CG2 4.14Å; P58-V61 HydrophobicContact CG-CG2 4.27Å; P58-V61 PolarHBondContact O-N 2.95Å; E59-V61 PolarHBondContact O-N 3.45Å; V61-S63 WeakPolarHBondContact CG1-O 3.45Å; V61-F135 HydrophobicContact CB-CZ 4.5Å; V61-F135 HydrophobicContact CG1-CE2 4.2Å; V61-F135 HydrophobicContact CG1-CZ 4.39Å; V61-F135 HydrophobicContact CG2-CE2 4.26Å; V61-F135 HydrophobicContact CG2-CZ 3.72Å
62Q69.8Low80.7Confident178 Ų17851.4 Ų51.483%0.83225%0.252SS*.  trans-100.5-32.8178.9-68.5-177.7-7.300112.5K57K57-Q62 PolarHBondContact NZ-O 3.14Å
63S73.8Confident79.6Confident37 Ų3755.9 Ų55.926%0.25928%0.283SS..  trans-125.4151.5-178.660.20000112.2V61V61-S63 WeakPolarHBondContact CG1-O 3.45Å
64V79.8Confident78.4Confident14 Ų1455.2 Ų55.29%0.08528%0.28CS..  trans-107.2132.5176.6174.30000109C54 K57 F110 C127C54-V64 HydrophobicContact CB-CG1 4.2Å; K57-V64 HydrophobicContact CD-CG2 3.41Å; K57-V64 VanDerWaalsContact CD-CG2 3.41Å; K57-V64 HydrophobicContact CG-CG2 4.19Å; V64-F110 HydrophobicContact CB-CB 4.15Å; V64-F110 HydrophobicContact CB-CD1 3.9Å; V64-F110 HydrophobicContact CB-CG 4.46Å; V64-F110 HydrophobicContact CG2-CB 3.97Å; V64-F110 HydrophobicContact CG2-CD1 3.65Å; V64-F110 HydrophobicContact CG2-CE1 4.5Å; V64-F110 HydrophobicContact CG2-CG 4.06Å; V64-C127 HydrophobicContact CG1-CB 3.59Å
65V82.5Confident77.1Confident27 Ų2760.4 Ų60.416%0.16430%0.301CS..EExtended strand (participates in β ladder)trans-106138171.4-176.60000108.7F67 A80 C127 G128 A130V65-F67 HydrophobicContact CB-CE2 3.91Å; V65-F67 HydrophobicContact CB-CZ 4.05Å; V65-F67 HydrophobicContact CG1-CD2 4.44Å; V65-F67 HydrophobicContact CG1-CE1 4.12Å; V65-F67 HydrophobicContact CG1-CE2 3.82Å; V65-F67 HydrophobicContact CG1-CZ 3.63Å; V65-A80 HydrophobicContact CG1-CB 4.48Å; V65-C127 WeakPolarHBondContact O-CA 3.31Å; V65-G128 PolarHBondContact N-O 2.96Å; V65-G128 PolarHBondContact O-N 2.97Å; V65-A130 HydrophobicContact CG2-CB 4.38Å
66W85.9Confident75.8Confident0 Ų064.7 Ų64.70%033%0.327CS..EExtended strand (participates in β ladder)trans-100.9135.8175.7-80.993.7000110.8L52 C54 L81 I107 F110 L112 I126 C127 Y138L52-W66 HydrophobicContact CB-CH2 3.86Å; L52-W66 HydrophobicContact CB-CZ2 4.38Å; L52-W66 HydrophobicContact CB-CZ3 4.38Å; L52-W66 WeakPolarHBondContact O-CZ2 3.3Å; C54-W66 HydrophobicContact CB-CZ2 4.02Å; W66-L81 HydrophobicContact CB-CB 4.19Å; W66-L81 HydrophobicContact CB-CD1 4.25Å; W66-L81 PolarHBondContact O-N 2.85Å; W66-I107 HydrophobicContact CB-CD1 4.36Å; W66-F110 PolarHBondContact NE1-O 3.47Å; W66-L112 HydrophobicContact CB-CD1 4.39Å; W66-L112 HydrophobicContact CB-CD2 4.5Å; W66-L112 HydrophobicContact CD2-CB 3.67Å; W66-L112 HydrophobicContact CD2-CD2 4.16Å; W66-L112 HydrophobicContact CD2-CG 4.43Å; W66-L112 HydrophobicContact CE3-CB 4.21Å; W66-L112 HydrophobicContact CE3-CD2 4.08Å; W66-L112 HydrophobicContact CG-CB 3.91Å; W66-L112 HydrophobicContact CG-CD1 4.32Å; W66-L112 HydrophobicContact CG-CD2 4.35Å; W66-L112 HydrophobicContact CG-CG 4.44Å; W66-L112 HydrophobicContact CZ2-CB 4.03Å; W66-I126 CarbonylContact C-O 3.53Å; W66-I126 WeakPolarHBondContact CA-O 3.48Å; W66-C127 HydrophobicContact CD2-CB 4.03Å; W66-C127 HydrophobicContact CE3-CB 4.12Å; W66-C127 HydrophobicContact CH2-CB 3.96Å; W66-C127 HydrophobicContact CZ2-CB 3.84Å; W66-C127 HydrophobicContact CZ3-CB 4.09Å; W66-Y138 AromaticContact CH2-CD2 3.89Å; W66-Y138 HydrophobicContact CH2-CD2 3.89Å; W66-Y138 AromaticContact CH2-CE2 3.85Å; W66-Y138 HydrophobicContact CH2-CE2 3.85Å; W66-Y138 HydrophobicContact CZ3-CD2 4.12Å
67F85.8Confident74.8Confident11 Ų1168.5 Ų68.55%0.04835%0.345CS..EExtended strand (participates in β ladder)trans-120.9142.9177.9-57.6-89.4000109.8V65 T78 R79 A80 Y125 I126 K132 F134V65-F67 HydrophobicContact CB-CE2 3.91Å; V65-F67 HydrophobicContact CB-CZ 4.05Å; V65-F67 HydrophobicContact CG1-CD2 4.44Å; V65-F67 HydrophobicContact CG1-CE1 4.12Å; V65-F67 HydrophobicContact CG1-CE2 3.82Å; V65-F67 HydrophobicContact CG1-CZ 3.63Å; F67-T78 HydrophobicContact CB-CG2 3.97Å; F67-T78 HydrophobicContact CD1-CG2 4.04Å; F67-T78 HydrophobicContact CG-CG2 4.34Å; F67-R79 CarbonylContact C-O 3.48Å; F67-R79 WeakPolarHBondContact CA-O 3.38Å; F67-A80 HydrophobicContact CD1-CB 4.12Å; F67-A80 HydrophobicContact CE1-CB 4.1Å; F67-Y125 CarbonylContact O-C 3.6Å; F67-Y125 WeakPolarHBondContact O-CA 3.47Å; F67-I126 HydrophobicContact CB-CB 4.35Å; F67-I126 PolarHBondContact N-O 2.96Å; F67-I126 PolarHBondContact O-N 2.74Å; F67-K132 HydrophobicContact CE1-CG 4.27Å; F67-K132 HydrophobicContact CZ-CG 4.17Å; F67-F134 HydrophobicContact CD2-CD1 4.1Å; F67-F134 AromaticContact CD2-CE1 3.63Å; F67-F134 HydrophobicContact CD2-CE1 3.63Å; F67-F134 HydrophobicContact CE2-CD1 4.28Å; F67-F134 AromaticContact CE2-CE1 3.83Å; F67-F134 HydrophobicContact CE2-CE1 3.83Å; F67-F134 HydrophobicContact CG-CE1 4.01Å; F67-F134 HydrophobicContact CZ-CE1 4.36Å
68F86Confident74.2Confident16 Ų1668.8 Ų68.87%0.0735%0.349CS..EExtended strand (participates in β ladder)trans-118.7138.9176.5173.4-108.9000110.6K70 R79 L81 L124 Y125F68-K70 HydrophobicContact CZ-CD 4.14Å; F68-R79 PolarHBondContact N-O 2.82Å; F68-R79 PolarHBondContact O-N 3.03Å; F68-L81 HydrophobicContact CB-CD1 4.18Å; F68-L81 HydrophobicContact CB-CD2 3.93Å; F68-L81 HydrophobicContact CB-CG 4.12Å; F68-L124 CarbonylContact C-O 3.57Å; F68-L124 WeakPolarHBondContact CA-O 3.18Å; F68-Y125 HydrophobicContact CB-CE1 4.36Å; F68-Y125 HydrophobicContact CD2-CD1 4.14Å; F68-Y125 HydrophobicContact CD2-CD2 4.17Å; F68-Y125 AromaticContact CD2-CE1 3.65Å; F68-Y125 HydrophobicContact CD2-CE1 3.65Å; F68-Y125 AromaticContact CD2-CE2 3.65Å; F68-Y125 HydrophobicContact CD2-CE2 3.65Å; F68-Y125 HydrophobicContact CD2-CG 4.39Å; F68-Y125 AromaticContact CD2-CZ 3.39Å; F68-Y125 HydrophobicContact CE2-CE1 4.39Å; F68-Y125 AromaticContact CE2-CE2 3.74Å; F68-Y125 HydrophobicContact CE2-CE2 3.74Å; F68-Y125 AromaticContact CE2-CZ 3.67Å; F68-Y125 HydrophobicContact CG-CE1 4.34Å
69R84.4Confident73.8Confident17 Ų1770.7 Ų70.76%0.06435%0.35CS..EExtended strand (participates in β ladder)trans-135.5135.6170.7-62.5177.2174.7177.7-3.3109.2T78 L124R69-T78 HydrophobicContact CG-CG2 4.11Å; R69-T78 VanDerWaalsContact CZ-OG1 3.26Å; R69-T78 PolarHBondContact NE-OG1 3.07Å; R69-T78 PolarHBondContact NH2-OG1 2.97Å; R69-L124 HydrophobicContact CB-CB 4.27Å; R69-L124 PolarHBondContact N-O 3.4Å; R69-L124 PolarHBondContact O-N 3.39Å
70K81.9Confident73.7Confident55 Ų5564.3 Ų64.324%0.23933%0.326CS..SBendtrans-74.2-41.4176.7-168.863.9175.6175.70112.1F68 E120 S122F68-K70 HydrophobicContact CZ-CD 4.14Å; K70-E120 PolarHBondContact NZ-O 2.92Å; K70-S122 WeakPolarHBondContact CD-O 3.14Å; K70-S122 PolarHBondContact NZ-O 3.12Å
71H78.3Confident73.7Confident95 Ų9557.4 Ų57.444%0.4429%0.294SS..  trans-135.5150.8179.4-60-59.6000110.2S73 S74H71-S73 VanDerWaalsContact C-N 3.32Å; H71-S73 PolarHBondContact O-N 2.75Å; H71-S74 PolarHBondContact O-N 3.05Å
72W69.5Low73.2Confident63 Ų6358.2 Ų58.224%0.23930%0.3CS..THydrogen-bonded Turntrans-62.3-38.5176.5178-100000112.6F39 S74 F75 L124 R205 E219F39-W72 HydrophobicContact CE2-CE3 4.04Å; F39-W72 HydrophobicContact CE2-CH2 4.47Å; F39-W72 AromaticContact CE2-CZ3 3.59Å; F39-W72 HydrophobicContact CE2-CZ3 3.59Å; F39-W72 HydrophobicContact CZ-CE3 4.13Å; F39-W72 AromaticContact CZ-CZ3 3.66Å; F39-W72 HydrophobicContact CZ-CZ3 3.66Å; W72-S74 VanDerWaalsContact C-N 3.26Å; W72-S74 PolarHBondContact O-N 2.83Å; W72-F75 AromaticContact CE2-CZ 3.96Å; W72-F75 HydrophobicContact CH2-CE1 4.46Å; W72-F75 HydrophobicContact CZ2-CE1 4.07Å; W72-F75 AromaticContact CZ2-CZ 3.86Å; W72-F75 HydrophobicContact CZ2-CZ 3.86Å; W72-L124 HydrophobicContact CB-CD1 4.08Å; W72-L124 HydrophobicContact CE3-CD1 3.74Å; W72-R205 VanDerWaalsContact CE2-NH1 3.25Å; W72-E219 VanDerWaalsContact CB-OE1 3.23Å; W72-E219 WeakPolarHBondContact CB-OE1 3.49Å; W72-E219 VanDerWaalsContact N-CD 3.26Å; W72-E219 PolarHBondContact N-OE1 2.94Å; W72-E219 PolarHBondContact N-OE2 3.31Å
73S66.6Low72.5Confident96 Ų9650.6 Ų50.667%0.67127%0.265SS*.THydrogen-bonded Turntrans-72-16.6-176.853.40000114.1H71 F75H71-S73 VanDerWaalsContact C-N 3.32Å; H71-S73 PolarHBondContact O-N 2.75Å; S73-F75 PolarHBondContact O-N 2.84Å
74S64.8Low71.4Confident25 Ų2553.2 Ų53.218%0.17528%0.276CS..  trans-95.873-178-162.80000111.2H71 W72 D76 E77H71-S74 PolarHBondContact O-N 3.05Å; W72-S74 VanDerWaalsContact C-N 3.26Å; W72-S74 PolarHBondContact O-N 2.83Å; S74-D76 PolarHBondContact O-N 2.95Å; S74-E77 PolarHBondContact O-N 2.85Å; S74-E77 WeakPolarHBondContact OG-CB 3.39Å; S74-E77 WeakPolarHBondContact OG-CG 3.38Å; S74-E77 PolarHBondContact OG-OE1 2.87Å
75F59.3Low69.7Low117 Ų11760.2 Ų60.251%0.51331%0.307SS..G310 helixtrans-61.1-32.6178.9-71.7-81.8000112.6W72 S73 E77 T78W72-F75 AromaticContact CE2-CZ 3.96Å; W72-F75 HydrophobicContact CH2-CE1 4.46Å; W72-F75 HydrophobicContact CZ2-CE1 4.07Å; W72-F75 AromaticContact CZ2-CZ 3.86Å; W72-F75 HydrophobicContact CZ2-CZ 3.86Å; S73-F75 PolarHBondContact O-N 2.84Å; F75-E77 PolarHBondContact O-N 2.83Å; F75-T78 PolarHBondContact O-N 3.46Å; F75-T78 PolarHBondContact O-OG1 3.38Å
76D57.4Low67.8Low171 Ų17161.5 Ų61.591%0.91433%0.326SS*.G310 helixtrans-71.3-12.2-179.9-64.1-27.1000113.5S74S74-D76 PolarHBondContact O-N 2.95Å
77E62.1Low65.5Low83 Ų8367.5 Ų67.539%0.38836%0.358SS..G310 helixtrans-99.915.3179.8-75.3176-135.600114S74 F75 R79S74-E77 PolarHBondContact O-N 2.85Å; S74-E77 WeakPolarHBondContact OG-CB 3.39Å; S74-E77 WeakPolarHBondContact OG-CG 3.38Å; S74-E77 PolarHBondContact OG-OE1 2.87Å; F75-E77 PolarHBondContact O-N 2.83Å; E77-R79 WeakPolarHBondContact O-CG 3.35Å; E77-R79 PolarHBondContact O-N 2.7Å
78T69Low63.5Low33 Ų3376 Ų7620%0.20240%0.395CS..  trans-67.6105.1177.6-490000110.7F67 R69 F75F67-T78 HydrophobicContact CB-CG2 3.97Å; F67-T78 HydrophobicContact CD1-CG2 4.04Å; F67-T78 HydrophobicContact CG-CG2 4.34Å; R69-T78 HydrophobicContact CG-CG2 4.11Å; R69-T78 VanDerWaalsContact CZ-OG1 3.26Å; R69-T78 PolarHBondContact NE-OG1 3.07Å; R69-T78 PolarHBondContact NH2-OG1 2.97Å; F75-T78 PolarHBondContact O-N 3.46Å; F75-T78 PolarHBondContact O-OG1 3.38Å
79R73.8Confident61.3Low86 Ų8680.5 Ų80.533%0.32542%0.419SS..EExtended strand (participates in β ladder)trans-99.3128.1-179.3-64.4173.6-164.3-1784.8110.1F67 F68 E77F67-R79 CarbonylContact C-O 3.48Å; F67-R79 WeakPolarHBondContact CA-O 3.38Å; F68-R79 PolarHBondContact N-O 2.82Å; F68-R79 PolarHBondContact O-N 3.03Å; E77-R79 WeakPolarHBondContact O-CG 3.35Å; E77-R79 PolarHBondContact O-N 2.7Å
80A72.4Confident59.2Low36 Ų3686.4 Ų86.430%0.29845%0.451SS..EExtended strand (participates in β ladder)trans-75.2132.5168.600000109.8V65 F67V65-A80 HydrophobicContact CG1-CB 4.48Å; F67-A80 HydrophobicContact CD1-CB 4.12Å; F67-A80 HydrophobicContact CE1-CB 4.1Å
81L73.1Confident57Low17 Ų1790 Ų909%0.08947%0.473CS..EExtended strand (participates in β ladder)trans-89.6127.2176.7-58.7179000109.2W66 F68 F105 L112 Y125W66-L81 HydrophobicContact CB-CB 4.19Å; W66-L81 HydrophobicContact CB-CD1 4.25Å; W66-L81 PolarHBondContact O-N 2.85Å; F68-L81 HydrophobicContact CB-CD1 4.18Å; F68-L81 HydrophobicContact CB-CD2 3.93Å; F68-L81 HydrophobicContact CB-CG 4.12Å; L81-F105 HydrophobicContact CD1-CD1 4.21Å; L81-F105 HydrophobicContact CD1-CE1 4.43Å; L81-L112 HydrophobicContact CD1-CD1 3.98Å; L81-L112 HydrophobicContact CD1-CD2 3.53Å; L81-L112 HydrophobicContact CD1-CG 4.42Å; L81-Y125 HydrophobicContact CD1-CD1 3.9Å; L81-Y125 HydrophobicContact CD1-CE1 3.77Å
82T61Low55.3Low46 Ų4689.7 Ų89.728%0.28248%0.478SS..  trans-118.6138.8179.764.10000110.8R102T82-R102 PolarHBondContact OG1-NE 2.72Å; T82-R102 PolarHBondContact OG1-NH2 3.47Å
83D55.6Low53.7Low17 Ų1790.9 Ų90.99%0.09150%0.496CS..  trans-75.7153.2175.6-175.515.2000112.7H85D83-H85 IonicContact OD1-CD2 2.84Å; D83-H85 PolarHBondContact OD1-N 2.99Å
84N49.5Very low52.3Low92 Ų9294.1 Ų94.149%0.49250%0.5SS..THydrogen-bonded Turntrans-75.2-23.3173.6-68.7-35.5000113.1G86 R102 S103N84-G86 PolarHBondContact O-N 2.58Å; N84-R102 VanDerWaalsContact CG-O 3.27Å; N84-R102 PolarHBondContact ND2-O 2.96Å; N84-R102 PolarHBondContact OD1-O 2.76Å; N84-S103 WeakPolarHBondContact ND2-CA 3.45Å
85H44.5Very low51.2Low162 Ų16295 Ų9575%0.7550%0.504SS*.THydrogen-bonded Turntrans-83.212.9-178.5-71.3-73.9000115D83 N87D83-H85 IonicContact OD1-CD2 2.84Å; D83-H85 PolarHBondContact OD1-N 2.99Å; H85-N87 PolarHBondContact O-N 2.86Å
86G42.3Very low50Low53 Ų5394.9 Ų94.955%0.54652%0.516SS..  trans73.822.7167.100000115.1N84 K88N84-G86 PolarHBondContact O-N 2.58Å; G86-K88 PolarHBondContact O-N 3.44Å
87N39.2Very low49.1Very low127 Ų12792.7 Ų92.768%0.67950%0.499SS*.  trans-66.573.9154.5-75-29000108.4H85H85-N87 PolarHBondContact O-N 2.86Å
88K43.2Very low48Very low190 Ų19091.3 Ų91.383%0.82650%0.499SS*.  trans-76.1121.3169.4-89.8-177172.2-179.40107.2G86G86-K88 PolarHBondContact O-N 3.44Å
89L39.7Very low46.4Very low110 Ų11095.4 Ų95.458%0.57653%0.529SS*.  trans-136.8118151.9-84.3174.5000112.5
90L40.9Very low45.1Very low140 Ų14097.8 Ų97.873%0.73355%0.548SS*.SBendtrans64.6105.8152.1-67.3156.8000118.4
91D36Very low43.9Very low131 Ų13198 Ų9870%0.70154%0.544SS*.  trans53.684.2160.3-151-4.1000117.8S93D91-S93 PolarHBondContact O-N 2.63Å; D91-S93 WeakPolarHBondContact OD1-CB 3.48Å; D91-S93 PolarHBondContact OD1-N 2.84Å; D91-S93 PolarHBondContact OD1-OG 3.18Å
92T42.3Very low42.9Very low88 Ų88102.9 Ų102.954%0.5456%0.562SS.*  trans-81.712.7173.446.10000113.9Q94T92-Q94 PolarHBondContact O-N 3.37Å; T92-Q94 VanDerWaalsContact O-N 3.13Å
93S35.8Very low42.7Very low89 Ų89104.9 Ų104.962%0.62258%0.577SS**THydrogen-bonded Turntrans-68.3-9.9-173.9580000115.2D91D91-S93 PolarHBondContact O-N 2.63Å; D91-S93 WeakPolarHBondContact OD1-CB 3.48Å; D91-S93 PolarHBondContact OD1-N 2.84Å; D91-S93 PolarHBondContact OD1-OG 3.18Å
94Q37.4Very low43.3Very low164 Ų164107.5 Ų107.577%0.76659%0.586SS**THydrogen-bonded Turntrans-122.613.3-174.4-63.2-167.6-300116.2T92T92-Q94 PolarHBondContact O-N 3.37Å; T92-Q94 VanDerWaalsContact O-N 3.13Å
95V40.3Very low44.4Very low43 Ų43103.6 Ų103.626%0.26157%0.565SS.*SBendtrans-124.5115.7-178.3-172.20000110.9H97V95-H97 PolarHBondContact O-N 2.96Å; V95-H97 VanDerWaalsContact O-N 3.16Å
96P34.6Very low45.8Very low115 Ų11596.8 Ų96.875%0.74754%0.535SS*.  trans-61.9117.6-179.1-18.730.1000111.1S98P96-S98 PolarHBondContact O-N 3.21Å
97H39.2Very low47.3Very low124 Ų12495.9 Ų95.957%0.57452%0.518SS*.  trans-69.6113.2179.6-78-70.9000111.3V95V95-H97 PolarHBondContact O-N 2.96Å; V95-H97 VanDerWaalsContact O-N 3.16Å
98S37.6Very low48.8Very low55 Ų5597.5 Ų97.539%0.38551%0.514SS..  trans-90.8117.8164.4175.50000108.9P96 D100P96-S98 PolarHBondContact O-N 3.21Å; S98-D100 VanDerWaalsContact C-N 3.35Å; S98-D100 PolarHBondContact O-N 3.44Å
99S37Very low50.2Low119 Ų11995.1 Ų95.183%0.83251%0.508SS*.THydrogen-bonded Turntrans-77.9-4-16544.50000116.1
100D45.6Very low52Low135 Ų13593.4 Ų93.472%0.72250%0.496SS*.THydrogen-bonded Turntrans-105.8-17.4-171.6-154.326000114.1S98S98-D100 VanDerWaalsContact C-N 3.35Å; S98-D100 PolarHBondContact O-N 3.44Å
101L47.9Very low54.1Low42 Ų4287.4 Ų87.422%0.2247%0.466CS..SBendtrans-85-11.6-177.4-67.2169.2000113.3S103 F105L101-S103 PolarHBondContact O-N 3.04Å; L101-F105 HydrophobicContact CB-CE2 4.23Å; L101-F105 HydrophobicContact CD2-CE2 4.16Å; L101-F105 HydrophobicContact CD2-CZ 4.48Å; L101-F105 WeakPolarHBondContact O-CD2 3.48Å; L101-F105 VanDerWaalsContact O-CE2 3.26Å; L101-F105 WeakPolarHBondContact O-CE2 3.34Å
102R52.2Low56.5Low119 Ų11981.2 Ų81.245%0.44943%0.432SS..THydrogen-bonded Turntrans-77.4-24-164.3-137.1170.6-178-172.5-1.6114.7T82 N84T82-R102 PolarHBondContact OG1-NE 2.72Å; T82-R102 PolarHBondContact OG1-NH2 3.47Å; N84-R102 VanDerWaalsContact CG-O 3.27Å; N84-R102 PolarHBondContact ND2-O 2.96Å; N84-R102 PolarHBondContact OD1-O 2.76Å
103S55.2Low58.4Low88 Ų8878.4 Ų78.462%0.61541%0.414SS*.THydrogen-bonded Turntrans-81.6-18.2-172.1610000115.4N84 L101N84-S103 WeakPolarHBondContact ND2-CA 3.45Å; L101-S103 PolarHBondContact O-N 3.04Å
104R68.1Low60.7Low72 Ų7274.1 Ų74.127%0.27238%0.384SS..SBendtrans-108.61.6-172.5-64.2-169.2-63.91226.6115.2F115 I116 D121R104-F115 PolarHBondContact NH1-O 2.84Å; R104-F115 WeakPolarHBondContact O-CD2 3.21Å; R104-F115 PolarHBondContact O-N 3.35Å; R104-I116 PolarHBondContact NH1-O 2.92Å; R104-D121 IonicContact CZ-OD1 3.88Å; R104-D121 IonicContact CZ-OD2 3.24Å; R104-D121 IonicContact NH1-OD1 3.64Å; R104-D121 IonicContact NH1-OD2 3.77Å; R104-D121 PolarHBondContact NH1-OD2 2.95Å; R104-D121 IonicContact NH2-OD1 2.85Å; R104-D121 PolarHBondContact NH2-OD1 3.37Å; R104-D121 IonicContact NH2-OD2 3.79Å; R104-D121 PolarHBondContact NH2-OD2 2.67Å
105F74.1Confident62.7Low9 Ų970.3 Ų70.34%0.03937%0.365CS..EExtended strand (participates in β ladder)trans-115.3141-179-61-104.6000110.4L81 L101 L112 L113 I114 Y125L81-F105 HydrophobicContact CD1-CD1 4.21Å; L81-F105 HydrophobicContact CD1-CE1 4.43Å; L101-F105 HydrophobicContact CB-CE2 4.23Å; L101-F105 HydrophobicContact CD2-CE2 4.16Å; L101-F105 HydrophobicContact CD2-CZ 4.48Å; L101-F105 WeakPolarHBondContact O-CD2 3.48Å; L101-F105 VanDerWaalsContact O-CE2 3.26Å; L101-F105 WeakPolarHBondContact O-CE2 3.34Å; F105-L112 HydrophobicContact CB-CD1 4.36Å; F105-L112 HydrophobicContact CD1-CD1 4.13Å; F105-L112 HydrophobicContact CD1-CD2 4.42Å; F105-L112 HydrophobicContact CD1-CG 4.46Å; F105-L113 CarbonylContact C-O 3.58Å; F105-L113 VanDerWaalsContact CA-O 3.25Å; F105-L113 WeakPolarHBondContact CA-O 3.36Å; F105-I114 HydrophobicContact CD1-CB 4.23Å; F105-I114 HydrophobicContact CD1-CD1 4.37Å; F105-I114 HydrophobicContact CD1-CG1 3.7Å; F105-I114 HydrophobicContact CD1-CG2 4.08Å; F105-I114 HydrophobicContact CE1-CB 4.1Å; F105-I114 HydrophobicContact CE1-CD1 3.84Å; F105-I114 HydrophobicContact CE1-CG1 3.61Å; F105-I114 HydrophobicContact CE1-CG2 3.59Å; F105-I114 HydrophobicContact CZ-CG2 3.9Å; F105-Y125 HydrophobicContact CE1-CE1 4.08Å
106S73.5Confident64.5Low20 Ų2071.8 Ų71.814%0.1437%0.371CS..EExtended strand (participates in β ladder)trans-139.1143.3172.9-179.60000109.5L113S106-L113 PolarHBondContact N-O 3.39Å; S106-L113 WeakPolarHBondContact O-CA 3.49Å; S106-L113 WeakPolarHBondContact O-CB 3.5Å; S106-L113 PolarHBondContact O-N 3.29Å
107I73.1Confident66.9Low33 Ų3366.3 Ų66.317%0.16934%0.335CS..EExtended strand (participates in β ladder)trans-111.7118.6178.3-60170000107.6W66 S111 L112W66-I107 HydrophobicContact CB-CD1 4.36Å; I107-S111 CarbonylContact C-O 3.59Å; I107-S111 WeakPolarHBondContact CA-O 3.45Å; I107-L112 HydrophobicContact CG1-CD1 3.88Å
108R71.9Confident69.1Low162 Ų16261.3 Ų61.361%0.61132%0.317SS*.EExtended strand (participates in β ladder)trans-135.6124.6-175.2179.5169.1-175.6-175.25110F110 S111 L113R108-F110 PolarHBondContact O-N 3.13Å; R108-S111 PolarHBondContact N-O 3.39Å; R108-S111 WeakPolarHBondContact O-CB 3.37Å; R108-S111 PolarHBondContact O-N 3.15Å; R108-L113 HydrophobicContact CB-CD1 4.12Å
109M71.6Confident71.5Confident140 Ų14060.9 Ų60.969%0.6931%0.313SS*.THydrogen-bonded Turntrans46.947.7-177.2-67.586.1-172.600112.3S111M109-S111 PolarHBondContact O-N 2.88Å
110F78.8Confident73.7Confident74 Ų7462.1 Ų62.133%0.32531%0.306SS..THydrogen-bonded Turntrans66.7-4.5-177.8-40.3-70.3000116.3F28 C54 V64 W66 R108F28-F110 AromaticContact CE2-CD2 3.47Å; F28-F110 HydrophobicContact CE2-CD2 3.47Å; F28-F110 VanDerWaalsContact CE2-CD2 3.47Å; F28-F110 AromaticContact CE2-CE2 3.77Å; F28-F110 HydrophobicContact CE2-CE2 3.77Å; F28-F110 HydrophobicContact CE2-CG 4.21Å; F28-F110 HydrophobicContact CZ-CB 4.1Å; F28-F110 AromaticContact CZ-CD2 3.7Å; F28-F110 HydrophobicContact CZ-CD2 3.7Å; F28-F110 HydrophobicContact CZ-CE2 4.44Å; F28-F110 HydrophobicContact CZ-CG 4.09Å; C54-F110 HydrophobicContact CB-CB 4.49Å; V64-F110 HydrophobicContact CB-CB 4.15Å; V64-F110 HydrophobicContact CB-CD1 3.9Å; V64-F110 HydrophobicContact CB-CG 4.46Å; V64-F110 HydrophobicContact CG2-CB 3.97Å; V64-F110 HydrophobicContact CG2-CD1 3.65Å; V64-F110 HydrophobicContact CG2-CE1 4.5Å; V64-F110 HydrophobicContact CG2-CG 4.06Å; W66-F110 PolarHBondContact NE1-O 3.47Å; R108-F110 PolarHBondContact O-N 3.13Å
111S83.4Confident75.6Confident14 Ų1455.9 Ų55.910%0.09827%0.272CS..EExtended strand (participates in β ladder)trans-84.8140.6171.4-58.50000111.4L52 P53 I107 R108 M109L52-S111 CarbonylContact O-C 3.39Å; L52-S111 VanDerWaalsContact O-CA 3.3Å; L52-S111 WeakPolarHBondContact O-CA 3.01Å; P53-S111 WeakPolarHBondContact CA-OG 3.31Å; I107-S111 CarbonylContact C-O 3.59Å; I107-S111 WeakPolarHBondContact CA-O 3.45Å; R108-S111 PolarHBondContact N-O 3.39Å; R108-S111 WeakPolarHBondContact O-CB 3.37Å; R108-S111 PolarHBondContact O-N 3.15Å; M109-S111 PolarHBondContact O-N 2.88Å
112L86.3Confident77.5Confident0 Ų054.8 Ų54.80%027%0.268CS..EExtended strand (participates in β ladder)trans-88.8127.6168.8-179.369.8000109.9E51 L52 W66 L81 F105 I107 I114 Y125E51-L112 CarbonylContact C-O 3.59Å; E51-L112 WeakPolarHBondContact CA-O 3.48Å; L52-L112 HydrophobicContact CB-CB 4.33Å; L52-L112 HydrophobicContact CD1-CD2 4.44Å; L52-L112 PolarHBondContact N-O 2.78Å; L52-L112 PolarHBondContact O-N 2.94Å; W66-L112 HydrophobicContact CB-CD1 4.39Å; W66-L112 HydrophobicContact CB-CD2 4.5Å; W66-L112 HydrophobicContact CD2-CB 3.67Å; W66-L112 HydrophobicContact CD2-CD2 4.16Å; W66-L112 HydrophobicContact CD2-CG 4.43Å; W66-L112 HydrophobicContact CE3-CB 4.21Å; W66-L112 HydrophobicContact CE3-CD2 4.08Å; W66-L112 HydrophobicContact CG-CB 3.91Å; W66-L112 HydrophobicContact CG-CD1 4.32Å; W66-L112 HydrophobicContact CG-CD2 4.35Å; W66-L112 HydrophobicContact CG-CG 4.44Å; W66-L112 HydrophobicContact CZ2-CB 4.03Å; L81-L112 HydrophobicContact CD1-CD1 3.98Å; L81-L112 HydrophobicContact CD1-CD2 3.53Å; L81-L112 HydrophobicContact CD1-CG 4.42Å; F105-L112 HydrophobicContact CB-CD1 4.36Å; F105-L112 HydrophobicContact CD1-CD1 4.13Å; F105-L112 HydrophobicContact CD1-CD2 4.42Å; F105-L112 HydrophobicContact CD1-CG 4.46Å; I107-L112 HydrophobicContact CG1-CD1 3.88Å; L112-I114 HydrophobicContact CD2-CD1 4.33Å; L112-I114 HydrophobicContact CD2-CG1 4.26Å; L112-I114 HydrophobicContact CG-CG1 4.25Å; L112-Y125 HydrophobicContact CD2-CD1 3.36Å; L112-Y125 HydrophobicContact CD2-CE1 3.69Å; L112-Y125 HydrophobicContact CD2-CG 4.38Å
113L83.6Confident79.3Confident29 Ų2949.4 Ų49.415%0.15225%0.25CS..EExtended strand (participates in β ladder)trans-105.6129.9172-61.8170.5000109V50 E51 F105 S106 R108 F115V50-L113 CarbonylContact O-C 3.58Å; V50-L113 WeakPolarHBondContact O-CA 3.2Å; E51-L113 HydrophobicContact CB-CD2 3.72Å; E51-L113 HydrophobicContact CG-CD2 3.7Å; F105-L113 CarbonylContact C-O 3.58Å; F105-L113 VanDerWaalsContact CA-O 3.25Å; F105-L113 WeakPolarHBondContact CA-O 3.36Å; S106-L113 PolarHBondContact N-O 3.39Å; S106-L113 WeakPolarHBondContact O-CA 3.49Å; S106-L113 WeakPolarHBondContact O-CB 3.5Å; S106-L113 PolarHBondContact O-N 3.29Å; R108-L113 HydrophobicContact CB-CD1 4.12Å; L113-F115 HydrophobicContact CB-CE2 4.48Å; L113-F115 HydrophobicContact CB-CZ 4.25Å; L113-F115 HydrophobicContact CD1-CZ 4.38Å
114I84.4Confident80.9Confident0 Ų045.2 Ų45.20%022%0.221CC..EExtended strand (participates in β ladder)trans-118110.1175.7-45.4178000107.2T49 V50 L52 F105 L112 A117 Y125 L140T49-I114 CarbonylContact C-O 3.56Å; T49-I114 VanDerWaalsContact CA-O 3.24Å; T49-I114 WeakPolarHBondContact CA-O 3.43Å; V50-I114 HydrophobicContact CB-CB 4.2Å; V50-I114 HydrophobicContact CB-CD1 4.5Å; V50-I114 HydrophobicContact CB-CG1 4.5Å; V50-I114 PolarHBondContact N-O 3.05Å; V50-I114 PolarHBondContact O-N 2.81Å; L52-I114 HydrophobicContact CD1-CD1 4.41Å; F105-I114 HydrophobicContact CD1-CB 4.23Å; F105-I114 HydrophobicContact CD1-CD1 4.37Å; F105-I114 HydrophobicContact CD1-CG1 3.7Å; F105-I114 HydrophobicContact CD1-CG2 4.08Å; F105-I114 HydrophobicContact CE1-CB 4.1Å; F105-I114 HydrophobicContact CE1-CD1 3.84Å; F105-I114 HydrophobicContact CE1-CG1 3.61Å; F105-I114 HydrophobicContact CE1-CG2 3.59Å; F105-I114 HydrophobicContact CZ-CG2 3.9Å; L112-I114 HydrophobicContact CD2-CD1 4.33Å; L112-I114 HydrophobicContact CD2-CG1 4.26Å; L112-I114 HydrophobicContact CG-CG1 4.25Å; I114-A117 HydrophobicContact CG2-CB 4.08Å; I114-Y125 HydrophobicContact CD1-CE1 3.81Å; I114-Y125 HydrophobicContact CD1-CE2 4.34Å; I114-L140 HydrophobicContact CD1-CD2 3.69Å
115F77.9Confident81.9Confident84 Ų8441.9 Ų41.937%0.36821%0.208SC..SBendtrans-83.6132-178.9-61-72000111T49 R104 L113T49-F115 HydrophobicContact CG2-CD1 3.66Å; T49-F115 HydrophobicContact CG2-CE1 3.97Å; R104-F115 PolarHBondContact NH1-O 2.84Å; R104-F115 WeakPolarHBondContact O-CD2 3.21Å; R104-F115 PolarHBondContact O-N 3.35Å; L113-F115 HydrophobicContact CB-CE2 4.48Å; L113-F115 HydrophobicContact CB-CZ 4.25Å; L113-F115 HydrophobicContact CD1-CZ 4.38Å
116I79.4Confident82.6Confident73 Ų7341.5 Ų41.537%0.37421%0.206SC..SBendtrans50.762.4177.9-52.5164.7000109.6R104 G118R104-I116 PolarHBondContact NH1-O 2.92Å; I116-G118 PolarHBondContact O-N 3.15Å
117A84.5Confident83.3Confident1 Ų140.5 Ų40.51%0.00820%0.2CC..  trans-66.7131.2-175.300000111.1A46 G47 V48 V50 I114 D121 I142A46-A117 CarbonylContact C-O 3.51Å; A46-A117 WeakPolarHBondContact CA-O 3.39Å; G47-A117 PolarHBondContact N-O 3.01Å; V48-A117 WeakPolarHBondContact O-CB 3.42Å; V48-A117 PolarHBondContact O-N 3.48Å; V50-A117 HydrophobicContact CG2-CB 3.8Å; I114-A117 HydrophobicContact CG2-CB 4.08Å; A117-D121 WeakPolarHBondContact CA-OD2 3.43Å; A117-I142 HydrophobicContact CB-CD1 3.98Å; A117-I142 HydrophobicContact CB-CG1 4.25Å; A117-I142 HydrophobicContact CB-CG2 4.46Å
118G85.9Confident84Confident19 Ų1939 Ų3920%0.19619%0.192CC..  trans-107.7170.6175.700000112.5I116 E120 D121 I142I116-G118 PolarHBondContact O-N 3.15Å; G118-E120 PolarHBondContact O-N 2.04Å; G118-D121 PolarHBondContact N-OD2 3.45Å; G118-D121 WeakPolarHBondContact O-CB 3.41Å; G118-D121 PolarHBondContact O-N 2.78Å; G118-I142 VanDerWaalsContact C-CG2 3.48Å; G118-I142 WeakPolarHBondContact O-CB 3.44Å; G118-I142 WeakPolarHBondContact O-CG2 3.21Å
119P86.2Confident84.5Confident45 Ų4531.5 Ų31.529%0.29216%0.164SC..G310 helixtrans-56.5-31.8177.3-26.237000113.3A46 D121 S122 E144A46-P119 HydrophobicContact CB-CG 4.48Å; P119-D121 PolarHBondContact O-N 3.47Å; P119-S122 WeakPolarHBondContact O-CB 3.31Å; P119-S122 PolarHBondContact O-N 2.79Å; P119-S122 PolarHBondContact O-OG 2.74Å; P119-E144 HydrophobicContact CG-CB 3.78Å; P119-E144 HydrophobicContact CG-CG 4.29Å
120E83.9Confident84.7Confident145 Ų14526.8 Ų26.868%0.67815%0.148SC*.G310 helixtrans-64.6-24.1176.2-60.8-50.5137.700113.7K70 G118 S122K70-E120 PolarHBondContact NZ-O 2.92Å; G118-E120 PolarHBondContact O-N 2.04Å; E120-S122 PolarHBondContact O-N 3.33Å
121D84.9Confident84.6Confident4 Ų431 Ų312%0.02117%0.168CC..G310 helixtrans-79.2-0.8175-55-45.5000111.8R104 A117 G118 P119 Y125R104-D121 IonicContact CZ-OD1 3.88Å; R104-D121 IonicContact CZ-OD2 3.24Å; R104-D121 IonicContact NH1-OD1 3.64Å; R104-D121 IonicContact NH1-OD2 3.77Å; R104-D121 PolarHBondContact NH1-OD2 2.95Å; R104-D121 IonicContact NH2-OD1 2.85Å; R104-D121 PolarHBondContact NH2-OD1 3.37Å; R104-D121 IonicContact NH2-OD2 3.79Å; R104-D121 PolarHBondContact NH2-OD2 2.67Å; A117-D121 WeakPolarHBondContact CA-OD2 3.43Å; G118-D121 PolarHBondContact N-OD2 3.45Å; G118-D121 WeakPolarHBondContact O-CB 3.41Å; G118-D121 PolarHBondContact O-N 2.78Å; P119-D121 PolarHBondContact O-N 3.47Å; D121-Y125 VanDerWaalsContact O-CE2 3.29Å; D121-Y125 WeakPolarHBondContact O-CE2 3.43Å; D121-Y125 PolarHBondContact O-OH 3.05Å
122S89.1Confident84.3Confident19 Ų1935.9 Ų35.913%0.13319%0.188CC..  trans-70.3136.5172.8-49.60000111K70 P119 E120 L140 I142K70-S122 WeakPolarHBondContact CD-O 3.14Å; K70-S122 PolarHBondContact NZ-O 3.12Å; P119-S122 WeakPolarHBondContact O-CB 3.31Å; P119-S122 PolarHBondContact O-N 2.79Å; P119-S122 PolarHBondContact O-OG 2.74Å; E120-S122 PolarHBondContact O-N 3.33Å; S122-L140 CarbonylContact C-O 3.57Å; S122-L140 VanDerWaalsContact CA-O 3.24Å; S122-L140 WeakPolarHBondContact CA-O 3.3Å; S122-L140 WeakPolarHBondContact CB-O 3.45Å; S122-I142 WeakPolarHBondContact OG-CB 3.41Å; S122-I142 PolarHBondContact OG-N 3.48Å
123G88.9Confident84.1Confident7 Ų740 Ų407%0.07221%0.21CC..EExtended strand (participates in β ladder)trans158.4-165.6-177.700000112.6L140G123-L140 PolarHBondContact N-O 3.17Å; G123-L140 WeakPolarHBondContact O-CB 3.37Å; G123-L140 PolarHBondContact O-N 3.49Å
124L89.1Confident84.3Confident0 Ų041.7 Ų41.70%022%0.216CC..EExtended strand (participates in β ladder)trans-95.2124.8-178.4-52.7179.5000110.8F39 F68 R69 W72 Y138 D139 Y206F39-L124 HydrophobicContact CD1-CB 4.45Å; F39-L124 HydrophobicContact CD1-CD2 3.99Å; F39-L124 HydrophobicContact CE1-CB 3.97Å; F39-L124 HydrophobicContact CE1-CD1 4.21Å; F39-L124 HydrophobicContact CE1-CD2 4.2Å; F39-L124 HydrophobicContact CE1-CG 4.37Å; F39-L124 HydrophobicContact CG-CD2 4.48Å; F39-L124 HydrophobicContact CZ-CD1 4.26Å; F68-L124 CarbonylContact C-O 3.57Å; F68-L124 WeakPolarHBondContact CA-O 3.18Å; R69-L124 HydrophobicContact CB-CB 4.27Å; R69-L124 PolarHBondContact N-O 3.4Å; R69-L124 PolarHBondContact O-N 3.39Å; W72-L124 HydrophobicContact CB-CD1 4.08Å; W72-L124 HydrophobicContact CE3-CD1 3.74Å; L124-Y138 CarbonylContact C-O 3.52Å; L124-Y138 WeakPolarHBondContact CA-O 3.47Å; L124-D139 HydrophobicContact CD2-CB 3.93Å; L124-Y206 HydrophobicContact CD2-CE1 3.79Å
125Y90Very high84.4Confident2 Ų242.5 Ų42.51%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-114.2122.7176.8-71.6-95.9000109.7L52 F67 F68 L81 F105 L112 I114 D121 G137 Y138 L140L52-Y125 HydrophobicContact CD1-CD1 4.24Å; L52-Y125 HydrophobicContact CD1-CD2 4.12Å; L52-Y125 HydrophobicContact CD1-CG 3.78Å; F67-Y125 CarbonylContact O-C 3.6Å; F67-Y125 WeakPolarHBondContact O-CA 3.47Å; F68-Y125 HydrophobicContact CB-CE1 4.36Å; F68-Y125 HydrophobicContact CD2-CD1 4.14Å; F68-Y125 HydrophobicContact CD2-CD2 4.17Å; F68-Y125 AromaticContact CD2-CE1 3.65Å; F68-Y125 HydrophobicContact CD2-CE1 3.65Å; F68-Y125 AromaticContact CD2-CE2 3.65Å; F68-Y125 HydrophobicContact CD2-CE2 3.65Å; F68-Y125 HydrophobicContact CD2-CG 4.39Å; F68-Y125 AromaticContact CD2-CZ 3.39Å; F68-Y125 HydrophobicContact CE2-CE1 4.39Å; F68-Y125 AromaticContact CE2-CE2 3.74Å; F68-Y125 HydrophobicContact CE2-CE2 3.74Å; F68-Y125 AromaticContact CE2-CZ 3.67Å; F68-Y125 HydrophobicContact CG-CE1 4.34Å; L81-Y125 HydrophobicContact CD1-CD1 3.9Å; L81-Y125 HydrophobicContact CD1-CE1 3.77Å; F105-Y125 HydrophobicContact CE1-CE1 4.08Å; L112-Y125 HydrophobicContact CD2-CD1 3.36Å; L112-Y125 HydrophobicContact CD2-CE1 3.69Å; L112-Y125 HydrophobicContact CD2-CG 4.38Å; I114-Y125 HydrophobicContact CD1-CE1 3.81Å; I114-Y125 HydrophobicContact CD1-CE2 4.34Å; D121-Y125 VanDerWaalsContact O-CE2 3.29Å; D121-Y125 WeakPolarHBondContact O-CE2 3.43Å; D121-Y125 PolarHBondContact O-OH 3.05Å; Y125-G137 CarbonylContact O-C 3.57Å; Y125-G137 VanDerWaalsContact O-CA 3.32Å; Y125-G137 WeakPolarHBondContact O-CA 3.41Å; Y125-Y138 PolarHBondContact N-O 2.91Å; Y125-Y138 PolarHBondContact O-N 2.98Å; Y125-L140 HydrophobicContact CD2-CB 3.71Å; Y125-L140 HydrophobicContact CD2-CD2 3.9Å; Y125-L140 HydrophobicContact CD2-CG 4.46Å; Y125-L140 HydrophobicContact CE2-CB 3.85Å; Y125-L140 HydrophobicContact CE2-CD2 3.41Å; Y125-L140 VanDerWaalsContact CE2-CD2 3.41Å; Y125-L140 HydrophobicContact CE2-CG 4.24Å
126I88.9Confident84.8Confident0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-123.6127.3-171.8-55.7163.8000108.6L37 F39 W66 F67 F134 Y136L37-I126 HydrophobicContact CD1-CG2 4.17Å; L37-I126 HydrophobicContact CD2-CD1 4.23Å; L37-I126 HydrophobicContact CD2-CG2 4.21Å; F39-I126 HydrophobicContact CE1-CD1 4.11Å; F39-I126 HydrophobicContact CE1-CG1 3.71Å; F39-I126 HydrophobicContact CZ-CD1 4.07Å; F39-I126 HydrophobicContact CZ-CG1 4.12Å; W66-I126 CarbonylContact C-O 3.53Å; W66-I126 WeakPolarHBondContact CA-O 3.48Å; F67-I126 HydrophobicContact CB-CB 4.35Å; F67-I126 PolarHBondContact N-O 2.96Å; F67-I126 PolarHBondContact O-N 2.74Å; I126-F134 HydrophobicContact CB-CD1 4.46Å; I126-F134 HydrophobicContact CG2-CB 3.65Å; I126-F134 HydrophobicContact CG2-CD1 3.44Å; I126-F134 VanDerWaalsContact CG2-CD1 3.44Å; I126-F134 HydrophobicContact CG2-CD2 4.44Å; I126-F134 HydrophobicContact CG2-CE1 4.2Å; I126-F134 HydrophobicContact CG2-CG 3.59Å; I126-Y136 WeakPolarHBondContact CA-O 3.38Å
127C88.3Confident85.3Confident0 Ų036.3 Ų36.30%019%0.189CC..EExtended strand (participates in β ladder)trans-95.2136.9168.673.20000110.5C54 V64 V65 W66 F135 Y136C54-C127 HydrophobicContact CB-CB 3.7Å; C54-C127 WeakPolarHBondContact CB-SG 3.43Å; C54-C127 WeakPolarHBondContact SG-CB 3.27Å; C54-C127 CovalentContact SG-SG 2.06Å; C54-C127 PolarHBondContact SG-SG 2.85Å; V64-C127 HydrophobicContact CG1-CB 3.59Å; V65-C127 WeakPolarHBondContact O-CA 3.31Å; W66-C127 HydrophobicContact CD2-CB 4.03Å; W66-C127 HydrophobicContact CE3-CB 4.12Å; W66-C127 HydrophobicContact CH2-CB 3.96Å; W66-C127 HydrophobicContact CZ2-CB 3.84Å; W66-C127 HydrophobicContact CZ3-CB 4.09Å; C127-F135 PolarHBondContact O-N 3.11Å; C127-Y136 PolarHBondContact N-O 2.98Å; C127-Y136 PolarHBondContact O-N 3.13Å; C127-Y136 VanDerWaalsContact SG-CB 3.56Å
128G86.9Confident85.6Confident0 Ų036.9 Ų36.90%019%0.191CC..EExtended strand (participates in β ladder)trans-161-174.1-176.100000113.9V65 D133 F135V65-G128 PolarHBondContact N-O 2.96Å; V65-G128 PolarHBondContact O-N 2.97Å; G128-D133 CarbonylContact C-O 3.6Å; G128-D133 WeakPolarHBondContact CA-O 3.39Å; G128-F135 VanDerWaalsContact C-CE2 3.42Å
129S81.4Confident85.9Confident5 Ų536.1 Ų36.14%0.03518%0.183CC..  trans-78.3168.3172.677.20000112H131 K132 D133S129-H131 PolarHBondContact O-N 3.16Å; S129-H131 PolarHBondContact OG-N 3.48Å; S129-K132 PolarHBondContact O-N 3.08Å; S129-K132 VanDerWaalsContact O-N 3.1Å; S129-K132 PolarHBondContact OG-N 3.28Å; S129-D133 PolarHBondContact N-O 3.23Å; S129-D133 WeakPolarHBondContact OG-CB 3.49Å; S129-D133 VanDerWaalsContact OG-CG 3.28Å; S129-D133 PolarHBondContact OG-N 3.46Å; S129-D133 PolarHBondContact OG-OD2 2.91Å
130A76.6Confident86.1Confident41 Ų4134 Ų3434%0.33917%0.169SC..THydrogen-bonded Turntrans-60.5-26.7167.900000112.8V65 K132V65-A130 HydrophobicContact CG2-CB 4.38Å; A130-K132 PolarHBondContact O-N 3.04Å
131H76.5Confident86.5Confident162 Ų16227.6 Ų27.675%0.7514%0.139SC*.THydrogen-bonded Turntrans-84.48.5177.2-56.6-61.1000113.3S129 D133S129-H131 PolarHBondContact O-N 3.16Å; S129-H131 PolarHBondContact OG-N 3.48Å; H131-D133 VanDerWaalsContact C-N 3.33Å
132K77.3Confident86.8Confident118 Ų11827.6 Ų27.651%0.51314%0.139SC..  trans67.927.9-178.9-52.3172.5179.4173.30113.8F67 S129 A130 F134F67-K132 HydrophobicContact CE1-CG 4.27Å; F67-K132 HydrophobicContact CZ-CG 4.17Å; S129-K132 PolarHBondContact O-N 3.08Å; S129-K132 VanDerWaalsContact O-N 3.1Å; S129-K132 PolarHBondContact OG-N 3.28Å; A130-K132 PolarHBondContact O-N 3.04Å; K132-F134 HydrophobicContact CB-CE1 4.18Å; K132-F134 HydrophobicContact CB-CZ 4.14Å; K132-F134 PolarHBondContact O-N 3.4Å
133D83.1Confident86.9Confident87 Ų8727.3 Ų27.347%0.46514%0.136SC..  trans-76.3107.4166.2-49.7-57.8000108G128 S129 H131 F135G128-D133 CarbonylContact C-O 3.6Å; G128-D133 WeakPolarHBondContact CA-O 3.39Å; S129-D133 PolarHBondContact N-O 3.23Å; S129-D133 WeakPolarHBondContact OG-CB 3.49Å; S129-D133 VanDerWaalsContact OG-CG 3.28Å; S129-D133 PolarHBondContact OG-N 3.46Å; S129-D133 PolarHBondContact OG-OD2 2.91Å; H131-D133 VanDerWaalsContact C-N 3.33Å; D133-F135 HydrophobicContact CB-CE1 3.71Å; D133-F135 HydrophobicContact CB-CZ 4.11Å; D133-F135 WeakPolarHBondContact O-CE1 3.28Å; D133-F135 WeakPolarHBondContact O-CZ 3.38Å
134F86.9Confident86.7Confident63 Ų6333.3 Ų33.328%0.27616%0.162SC..EExtended strand (participates in β ladder)trans-86.9129.6-175.7-57.8-44.9000111.5L37 F67 I126 K132L37-F134 HydrophobicContact CD1-CB 4.02Å; L37-F134 HydrophobicContact CD2-CB 3.94Å; L37-F134 HydrophobicContact CD2-CD2 4.16Å; L37-F134 HydrophobicContact CD2-CG 4.33Å; F67-F134 HydrophobicContact CD2-CD1 4.1Å; F67-F134 AromaticContact CD2-CE1 3.63Å; F67-F134 HydrophobicContact CD2-CE1 3.63Å; F67-F134 HydrophobicContact CE2-CD1 4.28Å; F67-F134 AromaticContact CE2-CE1 3.83Å; F67-F134 HydrophobicContact CE2-CE1 3.83Å; F67-F134 HydrophobicContact CG-CE1 4.01Å; F67-F134 HydrophobicContact CZ-CE1 4.36Å; I126-F134 HydrophobicContact CB-CD1 4.46Å; I126-F134 HydrophobicContact CG2-CB 3.65Å; I126-F134 HydrophobicContact CG2-CD1 3.44Å; I126-F134 VanDerWaalsContact CG2-CD1 3.44Å; I126-F134 HydrophobicContact CG2-CD2 4.44Å; I126-F134 HydrophobicContact CG2-CE1 4.2Å; I126-F134 HydrophobicContact CG2-CG 3.59Å; K132-F134 HydrophobicContact CB-CE1 4.18Å; K132-F134 HydrophobicContact CB-CZ 4.14Å; K132-F134 PolarHBondContact O-N 3.4Å
135F85.6Confident86Confident17 Ų1734.6 Ų34.68%0.07517%0.172CC..EExtended strand (participates in β ladder)trans-105.7-43.2-174.4-50.6-39.8000112.3K57 P58 V61 C127 G128 D133K57-F135 HydrophobicContact CB-CD2 4.42Å; K57-F135 HydrophobicContact CG-CD2 3.83Å; K57-F135 HydrophobicContact CG-CE2 3.68Å; P58-F135 VanDerWaalsContact CD-CE1 3.42Å; P58-F135 HydrophobicContact CG-CD1 3.93Å; P58-F135 HydrophobicContact CG-CE1 3.56Å; P58-F135 HydrophobicContact CG-CZ 4Å; V61-F135 HydrophobicContact CB-CZ 4.5Å; V61-F135 HydrophobicContact CG1-CE2 4.2Å; V61-F135 HydrophobicContact CG1-CZ 4.39Å; V61-F135 HydrophobicContact CG2-CE2 4.26Å; V61-F135 HydrophobicContact CG2-CZ 3.72Å; C127-F135 PolarHBondContact O-N 3.11Å; G128-F135 VanDerWaalsContact C-CE2 3.42Å; D133-F135 HydrophobicContact CB-CE1 3.71Å; D133-F135 HydrophobicContact CB-CZ 4.11Å; D133-F135 WeakPolarHBondContact O-CE1 3.28Å; D133-F135 WeakPolarHBondContact O-CZ 3.38Å
136Y87.3Confident84.8Confident28 Ų2836.4 Ų36.411%0.1118%0.184CC..EExtended strand (participates in β ladder)trans-151.5146.6-173.5-161.9-92.4000111T40 H55 I126 C127 Y138T40-Y136 PolarHBondContact OG1-OH 3.49Å; H55-Y136 HydrophobicContact CB-CD2 4.41Å; H55-Y136 HydrophobicContact CB-CE2 4.22Å; H55-Y136 AromaticContact CD2-CE1 3.84Å; H55-Y136 AromaticContact CD2-CZ 3.73Å; I126-Y136 WeakPolarHBondContact CA-O 3.38Å; C127-Y136 PolarHBondContact N-O 2.98Å; C127-Y136 PolarHBondContact O-N 3.13Å; C127-Y136 VanDerWaalsContact SG-CB 3.56Å; Y136-Y138 HydrophobicContact CD1-CD2 4.28Å; Y136-Y138 AromaticContact CD1-CE2 3.79Å; Y136-Y138 HydrophobicContact CD1-CE2 3.79Å; Y136-Y138 HydrophobicContact CE1-CD2 4.33Å; Y136-Y138 HydrophobicContact CE1-CE1 4.03Å; Y136-Y138 AromaticContact CE1-CE2 3.75Å; Y136-Y138 HydrophobicContact CE1-CE2 3.75Å; Y136-Y138 AromaticContact CE1-CZ 3.6Å
137G90Very high83.3Confident0 Ų039.4 Ų39.40%021%0.209CC..EExtended strand (participates in β ladder)trans-133.4148.6-177.700000113.4T38 F39 T40 Y125T38-G137 PolarHBondContact O-N 3.44Å; F39-G137 WeakPolarHBondContact CA-O 3.22Å; T40-G137 PolarHBondContact N-O 3.09Å; Y125-G137 CarbonylContact O-C 3.57Å; Y125-G137 VanDerWaalsContact O-CA 3.32Å; Y125-G137 WeakPolarHBondContact O-CA 3.41Å
138Y90.9Very high81.9Confident12 Ų1241.5 Ų41.55%0.04722%0.22CC..EExtended strand (participates in β ladder)trans-116.4139.7168.5-69-84.8000110T40 A42 L52 P53 H55 W66 L124 Y125 Y136T40-Y138 HydrophobicContact CG2-CD1 4.45Å; T40-Y138 HydrophobicContact CG2-CE1 4.39Å; T40-Y138 WeakPolarHBondContact O-CA 3.11Å; A42-Y138 HydrophobicContact CB-CD1 4.03Å; L52-Y138 HydrophobicContact CB-CD2 4.09Å; L52-Y138 HydrophobicContact CB-CE2 4.07Å; L52-Y138 HydrophobicContact CD1-CD2 4.34Å; L52-Y138 HydrophobicContact CD1-CG 4.4Å; L52-Y138 HydrophobicContact CD2-CD1 4.17Å; L52-Y138 HydrophobicContact CD2-CD2 4.37Å; L52-Y138 HydrophobicContact CD2-CE1 4.45Å; L52-Y138 HydrophobicContact CD2-CG 4.1Å; P53-Y138 WeakPolarHBondContact CD-OH 3.27Å; P53-Y138 WeakPolarHBondContact O-CE2 3.2Å; P53-Y138 PolarHBondContact O-OH 3.32Å; H55-Y138 PolarHBondContact CD2-OH 3.04Å; H55-Y138 PolarHBondContact NE2-OH 3.39Å; H55-Y138 VanDerWaalsContact NE2-OH 3.13Å; W66-Y138 AromaticContact CH2-CD2 3.89Å; W66-Y138 HydrophobicContact CH2-CD2 3.89Å; W66-Y138 AromaticContact CH2-CE2 3.85Å; W66-Y138 HydrophobicContact CH2-CE2 3.85Å; W66-Y138 HydrophobicContact CZ3-CD2 4.12Å; L124-Y138 CarbonylContact C-O 3.52Å; L124-Y138 WeakPolarHBondContact CA-O 3.47Å; Y125-Y138 PolarHBondContact N-O 2.91Å; Y125-Y138 PolarHBondContact O-N 2.98Å; Y136-Y138 HydrophobicContact CD1-CD2 4.28Å; Y136-Y138 AromaticContact CD1-CE2 3.79Å; Y136-Y138 HydrophobicContact CD1-CE2 3.79Å; Y136-Y138 HydrophobicContact CE1-CD2 4.33Å; Y136-Y138 HydrophobicContact CE1-CE1 4.03Å; Y136-Y138 AromaticContact CE1-CE2 3.75Å; Y136-Y138 HydrophobicContact CE1-CE2 3.75Å; Y136-Y138 AromaticContact CE1-CZ 3.6Å
139D91.2Very high80.3Confident4 Ų448.3 Ų48.32%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-10198.8162.9165.144.7000107F39 T40 N41 A42 L124 Y206 S218F39-D139 HydrophobicContact CB-CB 4.16Å; T40-D139 PolarHBondContact O-N 3.16Å; N41-D139 PolarHBondContact ND2-OD2 2.7Å; A42-D139 PolarHBondContact N-O 2.81Å; L124-D139 HydrophobicContact CD2-CB 3.93Å; D139-Y206 HydrophobicContact CB-CD1 3.7Å; D139-Y206 HydrophobicContact CB-CE1 3.78Å; D139-S218 WeakPolarHBondContact OD2-CB 3.41Å; D139-S218 PolarHBondContact OD2-OG 3.46Å
140L91.9Very high78.9Confident1 Ų152.2 Ų52.21%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-92.3119.8-173.3-176.665.7000110.1A42 F44 V50 L52 I114 S122 G123 Y125 I142A42-L140 HydrophobicContact CB-CD1 4.2Å; A42-L140 WeakPolarHBondContact O-CA 3.47Å; F44-L140 HydrophobicContact CD2-CD1 3.59Å; F44-L140 HydrophobicContact CE2-CD1 3.87Å; V50-L140 HydrophobicContact CG1-CD1 4.12Å; L52-L140 HydrophobicContact CD1-CD2 4.37Å; L52-L140 HydrophobicContact CD2-CD1 4.38Å; I114-L140 HydrophobicContact CD1-CD2 3.69Å; S122-L140 CarbonylContact C-O 3.57Å; S122-L140 VanDerWaalsContact CA-O 3.24Å; S122-L140 WeakPolarHBondContact CA-O 3.3Å; S122-L140 WeakPolarHBondContact CB-O 3.45Å; G123-L140 PolarHBondContact N-O 3.17Å; G123-L140 WeakPolarHBondContact O-CB 3.37Å; G123-L140 PolarHBondContact O-N 3.49Å; Y125-L140 HydrophobicContact CD2-CB 3.71Å; Y125-L140 HydrophobicContact CD2-CD2 3.9Å; Y125-L140 HydrophobicContact CD2-CG 4.46Å; Y125-L140 HydrophobicContact CE2-CB 3.85Å; Y125-L140 HydrophobicContact CE2-CD2 3.41Å; Y125-L140 VanDerWaalsContact CE2-CD2 3.41Å; Y125-L140 HydrophobicContact CE2-CG 4.24Å; L140-I142 HydrophobicContact CD1-CD1 3.87Å; L140-I142 HydrophobicContact CD2-CD1 3.99Å; L140-I142 HydrophobicContact CD2-CG1 4.26Å; L140-I142 HydrophobicContact CG-CD1 3.85Å; L140-I142 HydrophobicContact CG-CG1 4.18Å
141D91.7Very high77.9Confident9 Ų956.1 Ų56.15%0.04828%0.283CS..EExtended strand (participates in β ladder)trans-112116.3172179.221.6000110.1A42 A43 F44 Q143 S215 G217A42-D141 PolarHBondContact O-N 3.16Å; A43-D141 WeakPolarHBondContact CA-O 3.37Å; F44-D141 PolarHBondContact N-O 2.79Å; D141-Q143 WeakPolarHBondContact OD2-CG 3.41Å; D141-Q143 PolarHBondContact OD2-NE2 3.12Å; D141-S215 WeakPolarHBondContact OD2-CB 3.28Å; D141-S215 PolarHBondContact OD2-OG 3.06Å; D141-G217 WeakPolarHBondContact OD2-CA 3.43Å; D141-G217 PolarHBondContact OD2-N 3.37Å
142I90.9Very high76.6Confident4 Ų457.8 Ų57.82%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-103.1105174.3-53.1-58.6000108.8F44 A46 V50 A117 G118 S122 L140F44-I142 HydrophobicContact CB-CD1 3.83Å; F44-I142 HydrophobicContact CD2-CD1 4.43Å; F44-I142 WeakPolarHBondContact O-CA 3.28Å; A46-I142 HydrophobicContact CB-CG2 3.93Å; V50-I142 HydrophobicContact CG2-CD1 3.97Å; A117-I142 HydrophobicContact CB-CD1 3.98Å; A117-I142 HydrophobicContact CB-CG1 4.25Å; A117-I142 HydrophobicContact CB-CG2 4.46Å; G118-I142 VanDerWaalsContact C-CG2 3.48Å; G118-I142 WeakPolarHBondContact O-CB 3.44Å; G118-I142 WeakPolarHBondContact O-CG2 3.21Å; S122-I142 WeakPolarHBondContact OG-CB 3.41Å; S122-I142 PolarHBondContact OG-N 3.48Å; L140-I142 HydrophobicContact CD1-CD1 3.87Å; L140-I142 HydrophobicContact CD2-CD1 3.99Å; L140-I142 HydrophobicContact CD2-CG1 4.26Å; L140-I142 HydrophobicContact CG-CD1 3.85Å; L140-I142 HydrophobicContact CG-CG1 4.18Å
143Q90.6Very high75.1Confident14 Ų1462.5 Ų62.57%0.06531%0.309CS..EExtended strand (participates in β ladder)trans-89.4125-176.8-59.4-174.95.700111F44 I45 A46 D141 L194 C195 S215 P232F44-Q143 PolarHBondContact O-N 2.93Å; I45-Q143 CarbonylContact C-O 3.58Å; I45-Q143 WeakPolarHBondContact CA-O 3.25Å; A46-Q143 PolarHBondContact N-O 3.36Å; D141-Q143 WeakPolarHBondContact OD2-CG 3.41Å; D141-Q143 PolarHBondContact OD2-NE2 3.12Å; Q143-L194 HydrophobicContact CB-CD2 4.48Å; Q143-C195 PolarHBondContact NE2-O 2.55Å; Q143-S215 PolarHBondContact NE2-OG 3.05Å; Q143-P232 HydrophobicContact CB-CB 4.17Å; Q143-P232 HydrophobicContact CB-CG 3.67Å
144E85.9Confident73.7Confident133 Ų13365.6 Ų65.662%0.62132%0.318SS*.PPolyproline II helixtrans-78126.4174.8-163.5168.8-169.200110.9P119 P232P119-E144 HydrophobicContact CG-CB 3.78Å; P119-E144 HydrophobicContact CG-CG 4.29Å; E144-P232 WeakPolarHBondContact O-CD 3.45Å; E144-P232 VanDerWaalsContact O-CG 3.23Å; E144-P232 WeakPolarHBondContact O-CG 3.35Å
145A73.8Confident72.1Confident26 Ų2673.7 Ų73.722%0.21535%0.347CS..PPolyproline II helixtrans-91135.117500000111.9I45 P232 V234I45-A145 HydrophobicContact CD1-CB 3.52Å; I45-A145 HydrophobicContact CG1-CB 3.98Å; A145-P232 HydrophobicContact CB-CG 3.91Å; A145-V234 HydrophobicContact CB-CG2 4.12Å
146P65.4Low70.8Confident41 Ų4179.1 Ų79.127%0.26637%0.372SS..PPolyproline II helixtrans-61.4160.1166.432.4-41.9000109.9L148 E231P146-L148 PolarHBondContact O-N 2.94Å; P146-E231 WeakPolarHBondContact CB-OE2 3.37Å; P146-E231 HydrophobicContact CG-CB 3.97Å; P146-E231 HydrophobicContact CG-CG 4.32Å; P146-E231 WeakPolarHBondContact CG-OE2 3.23Å
147A56.7Low69.9Low63 Ų6385.8 Ų85.852%0.52140%0.397SS..SBendtrans-43.4139.7176.300000112.6K149A147-K149 PolarHBondContact O-N 3.46Å
148L59.3Low69.1Low44 Ų4490.1 Ų90.123%0.2343%0.427CS..  trans-44121.1-175.4-68.2167.3000111.6P146 V234 I236 R311 T315P146-L148 PolarHBondContact O-N 2.94Å; L148-V234 HydrophobicContact CD2-CB 3.94Å; L148-V234 HydrophobicContact CD2-CG1 3.62Å; L148-I236 HydrophobicContact CD1-CD1 4.09Å; L148-I236 HydrophobicContact CD2-CD1 3.72Å; L148-I236 HydrophobicContact CG-CD1 4.33Å; L148-R311 HydrophobicContact CD1-CB 4.21Å; L148-T315 WeakPolarHBondContact O-CG2 3.27Å
149K54.1Low68.5Low143 Ų14392.2 Ų92.262%0.62244%0.443SS*.  trans-104.8102.9173.8-67.4-178-175.9167.80109A147 R151A147-K149 PolarHBondContact O-N 3.46Å; K149-R151 PolarHBondContact O-N 3.42Å
150S51.2Low68Low87 Ų8794.2 Ų94.261%0.60845%0.452SS*.  trans-65.3115.3168.8-175.90000109.1
151R55.5Low67.5Low122 Ų12298.5 Ų98.546%0.4648%0.478SS..  trans-104.7121.6-175.6-153.6177.9-175-171.71.7110.1K149 E235K149-R151 PolarHBondContact O-N 3.42Å; R151-E235 IonicContact NH1-OE1 2.64Å
152K49.2Very low67Low198 Ų198100.7 Ų100.786%0.86149%0.492SS*.  trans-63.8139168.6-71.2-175.1179.11790110.2K154K152-K154 PolarHBondContact O-N 3.31Å
153K47Very low66.6Low217 Ų217105.5 Ų105.594%0.94351%0.51SS*.  trans-29.5100.3-176.8-74.9176.7174.6174.90113.4
154K52.9Low66.4Low152 Ų152108.4 Ų108.466%0.66153%0.532SS*.  trans-112.5150.1157.6-79.7-169.4177.2-175.70109.2K152 H156K152-K154 PolarHBondContact O-N 3.31Å; K154-H156 PolarHBondContact O-N 3.31Å
155R53.7Low66.3Low232 Ų232105.3 Ų105.388%0.87552%0.517SS*.  trans-42.7123.9-177.1-147.2171-177.1171.2-0.4111.1R157R155-R157 PolarHBondContact O-N 3.35Å
156H58.2Low66.9Low132 Ų132110.1 Ų110.161%0.61155%0.546SS*.  trans-63.2106.2-177.8-64.1-68.4000110.3K154K154-H156 PolarHBondContact O-N 3.31Å
157R67.2Low67.9Low168 Ų168112.6 Ų112.663%0.63456%0.556SS**  trans-109137.6166.3-70.5-174.2174.8173.3-1.9109.1R155 S159R155-R157 PolarHBondContact O-N 3.35Å; R157-S159 VanDerWaalsContact C-N 3.35Å; R157-S159 WeakPolarHBondContact CB-O 3.44Å
158S74.3Confident69.4Low90 Ų90110.7 Ų110.763%0.62954%0.535SS*.SBendtrans-70.8-33.8174.148.50000111.4Y174S158-Y174 WeakPolarHBondContact O-CB 3.32Å; S158-Y174 PolarHBondContact O-N 3.11Å
159S77.4Confident70.8Confident56 Ų56113.4 Ų113.439%0.39255%0.545SS..EExtended strand (participates in β ladder)trans-141.5155.4171.762.50000111.2R157 I172R157-S159 VanDerWaalsContact C-N 3.35Å; R157-S159 WeakPolarHBondContact CB-O 3.44Å; S159-I172 WeakPolarHBondContact CA-O 3.44Å; S159-I172 WeakPolarHBondContact CB-O 3.38Å
160F81.1Confident72.5Confident47 Ų47106.6 Ų106.621%0.20652%0.516CS..EExtended strand (participates in β ladder)trans-143.7136.1170.169.7-81.6000110.5V162 F171 I172 Y174 K233F160-V162 HydrophobicContact CD2-CG2 4.2Å; F160-V162 HydrophobicContact CE2-CG2 3.69Å; F160-V162 HydrophobicContact CZ-CG2 4.29Å; F160-V162 PolarHBondContact O-N 2.95Å; F160-F171 VanDerWaalsContact O-CA 3.27Å; F160-F171 WeakPolarHBondContact O-CA 3.36Å; F160-F171 WeakPolarHBondContact O-CB 3.3Å; F160-I172 HydrophobicContact CD1-CB 4.13Å; F160-I172 HydrophobicContact CE1-CB 3.5Å; F160-I172 HydrophobicContact CE1-CG1 3.89Å; F160-I172 HydrophobicContact CE1-CG2 3.96Å; F160-I172 HydrophobicContact CE2-CG1 4.33Å; F160-I172 HydrophobicContact CZ-CB 3.77Å; F160-I172 HydrophobicContact CZ-CG1 3.59Å; F160-I172 HydrophobicContact CZ-CG2 4.47Å; F160-I172 PolarHBondContact N-O 2.92Å; F160-I172 VanDerWaalsContact N-O 3.16Å; F160-I172 PolarHBondContact O-N 3.39Å; F160-Y174 AromaticContact CD1-CE2 3.87Å; F160-Y174 HydrophobicContact CD1-CE2 3.87Å; F160-Y174 AromaticContact CE1-CE2 3.59Å; F160-Y174 HydrophobicContact CE1-CE2 3.59Å; F160-K233 HydrophobicContact CE1-CD 4.39Å; F160-K233 HydrophobicContact CZ-CD 3.97Å
161V81.3Confident74.3Confident90 Ų90104.1 Ų104.155%0.54549%0.494SS..EExtended strand (participates in β ladder)trans-72.4125.6176.4-178.40000108.1Y163 V170 F171V161-Y163 WeakPolarHBondContact CG1-O 3.27Å; V161-V170 CarbonylContact C-O 3.57Å; V161-V170 WeakPolarHBondContact CA-O 3.45Å; V161-F171 HydrophobicContact CG2-CB 4.47Å
162V81.8Confident75.9Confident55 Ų5598.3 Ų98.333%0.33347%0.472SS..EExtended strand (participates in β ladder)trans-91.4-42.1176.6-172.20000110.1F160 V170 I172 Q230F160-V162 HydrophobicContact CD2-CG2 4.2Å; F160-V162 HydrophobicContact CE2-CG2 3.69Å; F160-V162 HydrophobicContact CZ-CG2 4.29Å; F160-V162 PolarHBondContact O-N 2.95Å; V162-V170 PolarHBondContact N-O 2.87Å; V162-I172 HydrophobicContact CG2-CD1 4.49Å; V162-I172 HydrophobicContact CG2-CG1 3.86Å; V162-Q230 HydrophobicContact CB-CG 4.16Å; V162-Q230 HydrophobicContact CG1-CG 3.58Å; V162-Q230 HydrophobicContact CG2-CG 4.27Å
163Y82.7Confident77.8Confident106 Ų10691 Ų9142%0.41645%0.446SS..EExtended strand (participates in β ladder)trans-142.9141.9-178-179.8-102000109.9V161 H165 Y168 V170V161-Y163 WeakPolarHBondContact CG1-O 3.27Å; Y163-H165 HydrophobicContact CD1-CB 4.46Å; Y163-H165 HydrophobicContact CE1-CB 3.65Å; Y163-Y168 HydrophobicContact CD1-CD2 4.46Å; Y163-Y168 AromaticContact CD1-CE2 3.64Å; Y163-Y168 HydrophobicContact CD1-CE2 3.64Å; Y163-Y168 AromaticContact CE1-CE2 3.61Å; Y163-Y168 HydrophobicContact CE1-CE2 3.61Å; Y163-Y168 AromaticContact CE1-CZ 3.66Å; Y163-Y168 WeakPolarHBondContact CE1-OH 3.26Å; Y163-V170 HydrophobicContact CD1-CG2 4.24Å; Y163-V170 PolarHBondContact N-O 3Å; Y163-V170 PolarHBondContact O-N 3.43Å
164S84.8Confident79.9Confident75 Ų7581.7 Ų81.752%0.52441%0.405SS..EExtended strand (participates in β ladder)trans-133.1124.3-179.2-173.80000109.6
165H85.2Confident81.5Confident67 Ų6780.5 Ų80.531%0.3140%0.396SS..  trans-129.2158.8175.4-161.752.4000109.2Y163 M167 Y168Y163-H165 HydrophobicContact CD1-CB 4.46Å; Y163-H165 HydrophobicContact CE1-CB 3.65Å; H165-M167 PolarHBondContact O-N 2.65Å; H165-Y168 CarbonylContact C-O 3.54Å; H165-Y168 WeakPolarHBondContact CA-O 3.22Å; H165-Y168 HydrophobicContact CB-CD1 4.17Å; H165-Y168 HydrophobicContact CB-CE1 4.02Å; H165-Y168 HydrophobicContact CB-CE2 4.46Å; H165-Y168 HydrophobicContact CB-CG 4.46Å; H165-Y168 WeakPolarHBondContact CB-O 3.36Å; H165-Y168 AromaticContact CD2-CE1 3.61Å; H165-Y168 PolarHBondContact N-O 3.23Å; H165-Y168 PolarHBondContact O-N 3.27Å
166P85.7Confident83.3Confident127 Ų12774.8 Ų74.883%0.82539%0.392SS*.SBendtrans-59-33.4178.9-27.737.8000113.5
167M86.2Confident84.8Confident93 Ų9371.1 Ų71.146%0.45837%0.373SS..SBendtrans-88.8-23.6-177.8-64.9-174.9-76.900114.1H165 S199 F201 F225H165-M167 PolarHBondContact O-N 2.65Å; M167-S199 PolarHBondContact O-OG 3.29Å; M167-F201 HydrophobicContact CB-CD2 4.16Å; M167-F201 HydrophobicContact CB-CE2 4.04Å; M167-F201 HydrophobicContact CG-CE2 4.05Å; M167-F225 HydrophobicContact CB-CZ 4.39Å
168Y87.9Confident85.9Confident24 Ų2464.4 Ų64.49%0.09435%0.352CS..EExtended strand (participates in β ladder)trans-158.9157.7-17766.8-89.4000112.8Y163 H165 V170 V197 Y198 F225 I228Y163-Y168 HydrophobicContact CD1-CD2 4.46Å; Y163-Y168 AromaticContact CD1-CE2 3.64Å; Y163-Y168 HydrophobicContact CD1-CE2 3.64Å; Y163-Y168 AromaticContact CE1-CE2 3.61Å; Y163-Y168 HydrophobicContact CE1-CE2 3.61Å; Y163-Y168 AromaticContact CE1-CZ 3.66Å; Y163-Y168 WeakPolarHBondContact CE1-OH 3.26Å; H165-Y168 CarbonylContact C-O 3.54Å; H165-Y168 WeakPolarHBondContact CA-O 3.22Å; H165-Y168 HydrophobicContact CB-CD1 4.17Å; H165-Y168 HydrophobicContact CB-CE1 4.02Å; H165-Y168 HydrophobicContact CB-CE2 4.46Å; H165-Y168 HydrophobicContact CB-CG 4.46Å; H165-Y168 WeakPolarHBondContact CB-O 3.36Å; H165-Y168 AromaticContact CD2-CE1 3.61Å; H165-Y168 PolarHBondContact N-O 3.23Å; H165-Y168 PolarHBondContact O-N 3.27Å; Y168-V170 HydrophobicContact CD2-CG2 4Å; Y168-V170 HydrophobicContact CE2-CG2 3.95Å; Y168-V197 HydrophobicContact CD2-CG1 4.32Å; Y168-Y198 CarbonylContact C-O 3.58Å; Y168-Y198 WeakPolarHBondContact CA-O 3.28Å; Y168-Y198 WeakPolarHBondContact CB-O 3.32Å; Y168-F225 AromaticContact CD1-CD1 3.52Å; Y168-F225 HydrophobicContact CD1-CD1 3.52Å; Y168-F225 HydrophobicContact CD1-CD2 4.11Å; Y168-F225 AromaticContact CD1-CE1 3.56Å; Y168-F225 HydrophobicContact CD1-CE1 3.56Å; Y168-F225 HydrophobicContact CD1-CE2 4.14Å; Y168-F225 AromaticContact CD1-CG 3.84Å; Y168-F225 HydrophobicContact CD1-CG 3.84Å; Y168-F225 AromaticContact CD1-CZ 3.89Å; Y168-F225 HydrophobicContact CD1-CZ 3.89Å; Y168-F225 HydrophobicContact CE1-CB 4.49Å; Y168-F225 AromaticContact CE1-CD1 3.49Å; Y168-F225 HydrophobicContact CE1-CD1 3.49Å; Y168-F225 VanDerWaalsContact CE1-CD1 3.49Å; Y168-F225 AromaticContact CE1-CE1 3.87Å; Y168-F225 HydrophobicContact CE1-CE1 3.87Å; Y168-F225 AromaticContact CE1-CG 3.99Å; Y168-F225 HydrophobicContact CE1-CG 3.99Å; Y168-F225 HydrophobicContact CG-CD1 4.38Å; Y168-F225 HydrophobicContact CG-CD2 4.23Å; Y168-F225 HydrophobicContact CG-CE2 4.39Å; Y168-F225 HydrophobicContact CG-CG 4.26Å; Y168-I228 HydrophobicContact CD2-CD1 3.92Å; Y168-I228 HydrophobicContact CE2-CD1 3.5Å; Y168-I228 HydrophobicContact CE2-CG1 4.05Å
169K89.6Confident86.8Confident100 Ų10063.6 Ų63.644%0.43534%0.343SS..EExtended strand (participates in β ladder)trans-128.7135.1174.4-61.2-179.8-179.4177.10109.8V197 Y198K169-V197 CarbonylContact O-C 3.5Å; K169-V197 WeakPolarHBondContact O-CA 3.44Å; K169-Y198 PolarHBondContact N-O 2.97Å; K169-Y198 PolarHBondContact O-N 2.9Å
170V89.1Confident87.5Confident1 Ų161.3 Ų61.31%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-104.6131.7176.4-173.20000108.7V161 V162 Y163 Y168 Y196 V197 I228 Q230V161-V170 CarbonylContact C-O 3.57Å; V161-V170 WeakPolarHBondContact CA-O 3.45Å; V162-V170 PolarHBondContact N-O 2.87Å; Y163-V170 HydrophobicContact CD1-CG2 4.24Å; Y163-V170 PolarHBondContact N-O 3Å; Y163-V170 PolarHBondContact O-N 3.43Å; Y168-V170 HydrophobicContact CD2-CG2 4Å; Y168-V170 HydrophobicContact CE2-CG2 3.95Å; V170-Y196 WeakPolarHBondContact CA-O 3.39Å; V170-V197 HydrophobicContact CG2-CG2 4.39Å; V170-I228 HydrophobicContact CB-CG2 4.12Å; V170-I228 HydrophobicContact CG1-CG2 3.44Å; V170-I228 VanDerWaalsContact CG1-CG2 3.44Å; V170-I228 HydrophobicContact CG2-CB 4.36Å; V170-I228 HydrophobicContact CG2-CD1 3.6Å; V170-I228 HydrophobicContact CG2-CG1 3.76Å; V170-I228 HydrophobicContact CG2-CG2 3.57Å; V170-Q230 HydrophobicContact CG1-CB 4.4Å
171F89.4Confident88.1Confident34 Ų3459.1 Ų59.115%0.14932%0.318CS..EExtended strand (participates in β ladder)trans-143153.3177.964.5-80.3000111.2F160 V161 Y196 V213F160-F171 VanDerWaalsContact O-CA 3.27Å; F160-F171 WeakPolarHBondContact O-CA 3.36Å; F160-F171 WeakPolarHBondContact O-CB 3.3Å; V161-F171 HydrophobicContact CG2-CB 4.47Å; F171-Y196 HydrophobicContact CE2-CD2 4.29Å; F171-Y196 HydrophobicContact CE2-CG 4.37Å; F171-Y196 HydrophobicContact CZ-CG 4.28Å; F171-Y196 PolarHBondContact N-O 2.93Å; F171-Y196 PolarHBondContact O-N 3.08Å; F171-V213 HydrophobicContact CE1-CG1 4.24Å; F171-V213 HydrophobicContact CZ-CG1 3.84Å; F171-V213 HydrophobicContact CZ-CG2 4.38Å
172I88.5Confident88.5Confident0 Ų054.9 Ų54.90%029%0.292CS..EExtended strand (participates in β ladder)trans-94128.5166.9-59-56.3000107.7S159 F160 V162 Y174 L194 C195S159-I172 WeakPolarHBondContact CA-O 3.44Å; S159-I172 WeakPolarHBondContact CB-O 3.38Å; F160-I172 HydrophobicContact CD1-CB 4.13Å; F160-I172 HydrophobicContact CE1-CB 3.5Å; F160-I172 HydrophobicContact CE1-CG1 3.89Å; F160-I172 HydrophobicContact CE1-CG2 3.96Å; F160-I172 HydrophobicContact CE2-CG1 4.33Å; F160-I172 HydrophobicContact CZ-CB 3.77Å; F160-I172 HydrophobicContact CZ-CG1 3.59Å; F160-I172 HydrophobicContact CZ-CG2 4.47Å; F160-I172 PolarHBondContact N-O 2.92Å; F160-I172 VanDerWaalsContact N-O 3.16Å; F160-I172 PolarHBondContact O-N 3.39Å; V162-I172 HydrophobicContact CG2-CD1 4.49Å; V162-I172 HydrophobicContact CG2-CG1 3.86Å; I172-Y174 HydrophobicContact CG2-CD2 4.4Å; I172-Y174 HydrophobicContact CG2-CE1 4.43Å; I172-Y174 HydrophobicContact CG2-CE2 4.09Å; I172-L194 VanDerWaalsContact CA-O 3.32Å; I172-L194 WeakPolarHBondContact CA-O 3.33Å; I172-C195 HydrophobicContact CD1-CB 3.9Å
173S90.3Very high89Confident46 Ų4652.7 Ų52.732%0.32228%0.279SS..EExtended strand (participates in β ladder)trans-107.7119.8172.9-166.30000109.9G193 L194S173-G193 VanDerWaalsContact O-CA 3.28Å; S173-G193 WeakPolarHBondContact O-CA 3.42Å; S173-L194 PolarHBondContact N-O 2.97Å; S173-L194 PolarHBondContact O-N 3.44Å
174Y89.8Confident89.2Confident20 Ų2050.4 Ų50.48%0.07829%0.287CS..EExtended strand (participates in β ladder)trans-89136177.7-72.2-78.4000111.6S158 F160 I172 R191 I192 K233 E235S158-Y174 WeakPolarHBondContact O-CB 3.32Å; S158-Y174 PolarHBondContact O-N 3.11Å; F160-Y174 AromaticContact CD1-CE2 3.87Å; F160-Y174 HydrophobicContact CD1-CE2 3.87Å; F160-Y174 AromaticContact CE1-CE2 3.59Å; F160-Y174 HydrophobicContact CE1-CE2 3.59Å; I172-Y174 HydrophobicContact CG2-CD2 4.4Å; I172-Y174 HydrophobicContact CG2-CE1 4.43Å; I172-Y174 HydrophobicContact CG2-CE2 4.09Å; Y174-R191 HydrophobicContact CD1-CG 4.15Å; Y174-I192 WeakPolarHBondContact CA-O 3.25Å; Y174-K233 HydrophobicContact CE1-CB 4.03Å; Y174-K233 WeakPolarHBondContact OH-CB 3.11Å; Y174-K233 WeakPolarHBondContact OH-CD 3.16Å; Y174-E235 HydrophobicContact CE1-CG 4.12Å; Y174-E235 PolarHBondContact OH-OE1 2.95Å; Y174-E235 VanDerWaalsContact OH-OE1 3.08Å
175R88.1Confident89.3Confident127 Ų12748.6 Ų48.648%0.47928%0.277SS..PPolyproline II helixtrans-67.3160.7161.6-63.9-171.5-179.5-167.71.8110.3I192R175-I192 PolarHBondContact N-O 2.89Å
176S90.1Very high89.6Confident113 Ų11348.8 Ų48.879%0.7928%0.284SS*.PPolyproline II helixtrans-56.2151169.2-62.50000110.6S178S176-S178 PolarHBondContact O-N 3.28Å
177W90.4Very high89.9Confident54 Ų5442.8 Ų42.821%0.20525%0.245CC..PPolyproline II helixtrans-57.8137.4171.2-73.4101.1000110.2Q189 R191 E235 R237W177-Q189 HydrophobicContact CE3-CB 3.84Å; W177-Q189 HydrophobicContact CZ3-CB 4.44Å; W177-Q189 WeakPolarHBondContact CZ3-O 3.39Å; W177-R191 HydrophobicContact CD2-CB 4.03Å; W177-R191 HydrophobicContact CD2-CG 3.91Å; W177-R191 HydrophobicContact CE3-CB 3.86Å; W177-R191 HydrophobicContact CE3-CG 3.8Å; W177-R191 HydrophobicContact CG-CB 4.5Å; W177-R191 HydrophobicContact CH2-CG 3.79Å; W177-R191 HydrophobicContact CZ2-CG 3.88Å; W177-R191 HydrophobicContact CZ3-CB 4.22Å; W177-R191 HydrophobicContact CZ3-CG 3.74Å; W177-E235 HydrophobicContact CH2-CB 3.92Å; W177-E235 WeakPolarHBondContact CZ3-O 3.41Å; W177-R237 HydrophobicContact CD2-CG 4.47Å; W177-R237 HydrophobicContact CE3-CG 4Å; W177-R237 HydrophobicContact CH2-CB 4.02Å; W177-R237 HydrophobicContact CH2-CG 3.83Å; W177-R237 HydrophobicContact CZ2-CG 4.31Å; W177-R237 HydrophobicContact CZ3-CB 4.2Å; W177-R237 HydrophobicContact CZ3-CG 3.66Å
178S90.9Very high90.1Very high28 Ų2838.5 Ų38.520%0.19622%0.224CC..PPolyproline II helixtrans-60.1163.5169.971.40000111S176 Q189 V190S176-S178 PolarHBondContact O-N 3.28Å; S178-Q189 WeakPolarHBondContact O-CG 3.32Å; S178-Q189 PolarHBondContact O-NE2 2.71Å; S178-V190 WeakPolarHBondContact CB-O 3.3Å; S178-V190 PolarHBondContact N-O 2.96Å; S178-V190 PolarHBondContact OG-N 2.84Å; S178-V190 PolarHBondContact OG-O 2.93Å
179V92.6Very high90.3Very high73 Ų7338.9 Ų38.944%0.44223%0.227SC..PPolyproline II helixtrans-59.6162.9160-59.30000110.2D181 V299 Q350V179-D181 PolarHBondContact O-N 3.38Å; V179-V299 HydrophobicContact CG2-CG1 3.52Å; V179-Q350 HydrophobicContact CG2-CB 3.83Å; V179-Q350 HydrophobicContact CG2-CG 3.95Å
180C92.9Very high90.2Very high8 Ų834.6 Ų34.65%0.05421%0.209CC..PPolyproline II helixtrans-64.5133.3174.5-160.40000108.9R182 Q189 C239 V241 G351C180-R182 PolarHBondContact O-N 2.81Å; C180-R182 PolarHBondContact SG-O 3.44Å; C180-Q189 HydrophobicContact CB-CG 4.48Å; C180-C239 WeakPolarHBondContact CA-SG 3.38Å; C180-C239 HydrophobicContact CB-CB 3.98Å; C180-C239 WeakPolarHBondContact CB-SG 3.3Å; C180-C239 WeakPolarHBondContact SG-CB 3.4Å; C180-C239 CovalentContact SG-SG 2.03Å; C180-C239 PolarHBondContact SG-SG 3.39Å; C180-V241 HydrophobicContact CB-CG1 4.06Å; C180-V241 HydrophobicContact CB-CG2 3.7Å; C180-G351 PolarHBondContact O-N 3.18Å
181D92.7Very high90.2Very high1 Ų135.6 Ų35.61%0.00521%0.213CC..SBendtrans-67.1-26.2-177.568.6-8.6000113.4V179 G187 E188 V299 W348 G351V179-D181 PolarHBondContact O-N 3.38Å; D181-G187 WeakPolarHBondContact OD1-CA 3.49Å; D181-E188 PolarHBondContact N-O 2.81Å; D181-E188 PolarHBondContact OD1-N 2.93Å; D181-V299 HydrophobicContact CB-CG1 4.4Å; D181-V299 HydrophobicContact CB-CG2 3.88Å; D181-W348 VanDerWaalsContact O-CB 3.27Å; D181-W348 WeakPolarHBondContact O-CB 3.05Å; D181-G351 VanDerWaalsContact O-CA 3.24Å; D181-G351 WeakPolarHBondContact O-CA 3.39Å; D181-G351 PolarHBondContact O-N 3.06Å; D181-G351 VanDerWaalsContact O-N 3.12Å
182R90.6Very high90.1Very high1 Ų135.3 Ų35.30%0.00421%0.212CC..BIsolated β-bridgetrans-128154.7178.1-64.1178.6-17882.7-7.9111.4C180 V241 W302 D303 I309 W348C180-R182 PolarHBondContact O-N 2.81Å; C180-R182 PolarHBondContact SG-O 3.44Å; R182-V241 WeakPolarHBondContact O-CG2 3.4Å; R182-W302 VanDerWaalsContact NH2-C 3.31Å; R182-W302 PolarHBondContact NH2-O 3.35Å; R182-D303 IonicContact CZ-OD1 3.28Å; R182-D303 IonicContact NE-OD1 3.61Å; R182-D303 PolarHBondContact NE-OD1 2.95Å; R182-D303 IonicContact NH2-OD1 2.95Å; R182-D303 PolarHBondContact NH2-OD1 2.9Å; R182-I309 PolarHBondContact NH2-O 3.49Å; R182-W348 HydrophobicContact CB-CE3 4.45Å; R182-W348 HydrophobicContact CG-CD2 3.97Å; R182-W348 HydrophobicContact CG-CE3 4.39Å; R182-W348 HydrophobicContact CG-CG 4.03Å
183C90.6Very high90.1Very high9 Ų935.3 Ų35.36%0.06121%0.212CC..SBendtrans-119.2157166.773.70000110.1A185 V241 C243 G351C183-A185 PolarHBondContact O-N 3.49Å; C183-V241 CarbonylContact C-O 3.59Å; C183-V241 WeakPolarHBondContact CA-O 3.48Å; C183-V241 HydrophobicContact CB-CG2 4.07Å; C183-C243 HydrophobicContact CB-CB 3.89Å; C183-C243 WeakPolarHBondContact CB-SG 3.22Å; C183-C243 PolarHBondContact O-SG 2.9Å; C183-C243 VanDerWaalsContact O-SG 3.42Å; C183-C243 WeakPolarHBondContact SG-CA 3.49Å; C183-C243 WeakPolarHBondContact SG-CB 3.48Å; C183-C243 CovalentContact SG-SG 2.04Å; C183-C243 PolarHBondContact SG-SG 3.33Å; C183-G351 WeakPolarHBondContact CB-O 3.24Å; C183-G351 PolarHBondContact N-O 3.38Å; C183-G351 PolarHBondContact SG-O 2.9Å
184G88.2Confident90.1Very high58 Ų5833.2 Ų33.260%0.59820%0.198SC*.SBendtrans71.4-15.5177.900000115V241 C243G184-V241 PolarHBondContact N-O 3.15Å; G184-C243 PolarHBondContact N-SG 2.88Å; G184-C243 VanDerWaalsContact N-SG 3.42Å
185A86.7Confident90.2Very high37 Ų3732.3 Ų32.331%0.30619%0.194SC..SBendtrans-127.3164.7175.200000110.3C183 G187C183-A185 PolarHBondContact O-N 3.49Å; A185-G187 PolarHBondContact O-N 2.85Å
186P91.2Very high90.3Very high71 Ų7128.3 Ų28.346%0.46118%0.179SC..EExtended strand (participates in β ladder)trans-56.5133.1168.8-2032000110.3Y310P186-Y310 WeakPolarHBondContact O-CE1 3.22Å; P186-Y310 PolarHBondContact O-OH 2.76Å; P186-Y310 VanDerWaalsContact O-OH 3.14Å
187G91.8Very high90.2Very high1 Ų123 Ų231%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-133.4-178.8-179.400000112D181 A185 S238 C239D181-G187 WeakPolarHBondContact OD1-CA 3.49Å; A185-G187 PolarHBondContact O-N 2.85Å; G187-S238 CarbonylContact O-C 3.59Å; G187-S238 WeakPolarHBondContact O-CA 3.2Å; G187-C239 PolarHBondContact N-O 2.87Å; G187-C239 PolarHBondContact O-N 2.85Å; G187-C239 PolarHBondContact O-SG 3.49Å
188E91.4Very high90.2Very high3 Ų324.5 Ų24.51%0.01415%0.148CC..EExtended strand (participates in β ladder)trans-123.5143.7177.8-67.6-178138.600111.9D181 I236 R237 C239 Y310 R311 S312D181-E188 PolarHBondContact N-O 2.81Å; D181-E188 PolarHBondContact OD1-N 2.93Å; E188-I236 HydrophobicContact CB-CG2 4.02Å; E188-I236 HydrophobicContact CG-CG2 4Å; E188-R237 WeakPolarHBondContact CA-O 3.42Å; E188-C239 PolarHBondContact N-SG 3.39Å; E188-C239 VanDerWaalsContact N-SG 3.45Å; E188-Y310 HydrophobicContact CG-CD1 3.92Å; E188-R311 PolarHBondContact OE1-N 2.8Å; E188-R311 VanDerWaalsContact OE2-CB 3.31Å; E188-R311 WeakPolarHBondContact OE2-CB 3.41Å; E188-R311 PolarHBondContact OE2-N 2.64Å; E188-S312 WeakPolarHBondContact OE1-CB 3.34Å; E188-S312 PolarHBondContact OE1-N 2.95Å; E188-S312 PolarHBondContact OE1-OG 2.79Å
189Q91.3Very high90.1Very high32 Ų3223.2 Ų23.215%0.1514%0.139CC..EExtended strand (participates in β ladder)trans-109.5141.9163.6-67.7178.5-56.200108.8W177 S178 C180 I236 R237 C239W177-Q189 HydrophobicContact CE3-CB 3.84Å; W177-Q189 HydrophobicContact CZ3-CB 4.44Å; W177-Q189 WeakPolarHBondContact CZ3-O 3.39Å; S178-Q189 WeakPolarHBondContact O-CG 3.32Å; S178-Q189 PolarHBondContact O-NE2 2.71Å; C180-Q189 HydrophobicContact CB-CG 4.48Å; Q189-I236 WeakPolarHBondContact O-CA 3.27Å; Q189-R237 HydrophobicContact CB-CG 3.97Å; Q189-R237 PolarHBondContact N-O 2.75Å; Q189-R237 PolarHBondContact O-N 3.39Å; Q189-C239 HydrophobicContact CG-CB 3.98Å
190V88Confident89.8Confident10 Ų1029.2 Ų29.26%0.06115%0.154CC..EExtended strand (participates in β ladder)trans-121.3142.4-179.8-174.10000108.9S178 V234 E235 I236S178-V190 WeakPolarHBondContact CB-O 3.3Å; S178-V190 PolarHBondContact N-O 2.96Å; S178-V190 PolarHBondContact OG-N 2.84Å; S178-V190 PolarHBondContact OG-O 2.93Å; V190-V234 HydrophobicContact CG1-CG1 3.81Å; V190-E235 WeakPolarHBondContact CA-O 3.21Å; V190-I236 HydrophobicContact CG2-CG1 4.32Å
191R88.1Confident89.4Confident21 Ų2135 Ų358%0.07918%0.179CC..EExtended strand (participates in β ladder)trans-134.3146.6163.967.2175.2178.3166.45.1110.4Y174 W177 E235Y174-R191 HydrophobicContact CD1-CG 4.15Å; W177-R191 HydrophobicContact CD2-CB 4.03Å; W177-R191 HydrophobicContact CD2-CG 3.91Å; W177-R191 HydrophobicContact CE3-CB 3.86Å; W177-R191 HydrophobicContact CE3-CG 3.8Å; W177-R191 HydrophobicContact CG-CB 4.5Å; W177-R191 HydrophobicContact CH2-CG 3.79Å; W177-R191 HydrophobicContact CZ2-CG 3.88Å; W177-R191 HydrophobicContact CZ3-CB 4.22Å; W177-R191 HydrophobicContact CZ3-CG 3.74Å; R191-E235 HydrophobicContact CG-CB 3.91Å; R191-E235 IonicContact CZ-OE2 3.76Å; R191-E235 PolarHBondContact N-O 3.04Å; R191-E235 IonicContact NE-OE2 3.82Å; R191-E235 PolarHBondContact NE-OE2 3.3Å; R191-E235 IonicContact NH2-OE1 2.75Å; R191-E235 IonicContact NH2-OE2 3.64Å; R191-E235 PolarHBondContact NH2-OE2 3.03Å; R191-E235 PolarHBondContact O-N 3.29Å
192I87.5Confident88.9Confident28 Ų2835.9 Ų35.914%0.14418%0.183CC..EExtended strand (participates in β ladder)trans-113.2132.1-178-61.2156.6000108I45 Y174 R175 L194 K233I45-I192 HydrophobicContact CB-CG2 4.07Å; I45-I192 HydrophobicContact CD1-CG2 3.82Å; I45-I192 HydrophobicContact CG2-CD1 3.91Å; I45-I192 HydrophobicContact CG2-CG2 4.25Å; Y174-I192 WeakPolarHBondContact CA-O 3.25Å; R175-I192 PolarHBondContact N-O 2.89Å; I192-L194 HydrophobicContact CG2-CD2 3.93Å; I192-L194 HydrophobicContact CG2-CG 4.21Å; I192-K233 CarbonylContact C-O 3.58Å
193G89.6Confident88.3Confident0 Ų041 Ų410%021%0.206CC..EExtended strand (participates in β ladder)trans-110.8121.2171.800000110.2S173 P232 K233S173-G193 VanDerWaalsContact O-CA 3.28Å; S173-G193 WeakPolarHBondContact O-CA 3.42Å; G193-P232 CarbonylContact O-C 3.6Å; G193-P232 VanDerWaalsContact O-CA 3.23Å; G193-P232 WeakPolarHBondContact O-CA 3.36Å; G193-P232 VanDerWaalsContact O-CB 3.23Å; G193-P232 WeakPolarHBondContact O-CB 3.2Å; G193-K233 PolarHBondContact N-O 3.15Å; G193-K233 PolarHBondContact O-N 2.7Å
194L90.4Very high87.5Confident3 Ų346 Ų462%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-103.9152.6178.4-60.1173.2000110.4A43 I45 Q143 I172 S173 I192 Y196 P232A43-L194 HydrophobicContact CB-CD1 3.93Å; A43-L194 VanDerWaalsContact O-CD1 3.25Å; A43-L194 WeakPolarHBondContact O-CD1 3.33Å; I45-L194 HydrophobicContact CB-CD2 4.16Å; Q143-L194 HydrophobicContact CB-CD2 4.48Å; I172-L194 VanDerWaalsContact CA-O 3.32Å; I172-L194 WeakPolarHBondContact CA-O 3.33Å; S173-L194 PolarHBondContact N-O 2.97Å; S173-L194 PolarHBondContact O-N 3.44Å; I192-L194 HydrophobicContact CG2-CD2 3.93Å; I192-L194 HydrophobicContact CG2-CG 4.21Å; L194-Y196 HydrophobicContact CB-CD2 4.47Å; L194-Y196 HydrophobicContact CB-CE2 3.67Å; L194-Y196 VanDerWaalsContact O-CD2 3.29Å; L194-Y196 WeakPolarHBondContact O-CD2 3.47Å; L194-P232 HydrophobicContact CD2-CB 4.13Å
195C90.8Very high86.7Confident0 Ų049.9 Ų49.90%023%0.233CC..EExtended strand (participates in β ladder)trans-82129.3178.6-173.20000111.1Q143 I172 S215 C216 Q230Q143-C195 PolarHBondContact NE2-O 2.55Å; I172-C195 HydrophobicContact CD1-CB 3.9Å; C195-S215 PolarHBondContact O-OG 2.86Å; C195-C216 HydrophobicContact CB-CB 3.67Å; C195-C216 WeakPolarHBondContact CB-SG 3.22Å; C195-C216 PolarHBondContact O-N 3.33Å; C195-C216 VanDerWaalsContact O-N 3.07Å; C195-C216 PolarHBondContact O-SG 2.77Å; C195-C216 WeakPolarHBondContact SG-CB 3.38Å; C195-C216 CovalentContact SG-SG 2.03Å; C195-C216 PolarHBondContact SG-SG 3.28Å; C195-Q230 WeakPolarHBondContact CB-O 3.27Å
196Y90.1Very high85.8Confident44 Ų4449.1 Ų49.117%0.17322%0.223CC..EExtended strand (participates in β ladder)trans-131.4149.8175-64.1-83.7000111.8A43 V170 F171 L194 V213 A214 C216A43-Y196 HydrophobicContact CB-CE1 4.11Å; V170-Y196 WeakPolarHBondContact CA-O 3.39Å; F171-Y196 HydrophobicContact CE2-CD2 4.29Å; F171-Y196 HydrophobicContact CE2-CG 4.37Å; F171-Y196 HydrophobicContact CZ-CG 4.28Å; F171-Y196 PolarHBondContact N-O 2.93Å; F171-Y196 PolarHBondContact O-N 3.08Å; L194-Y196 HydrophobicContact CB-CD2 4.47Å; L194-Y196 HydrophobicContact CB-CE2 3.67Å; L194-Y196 VanDerWaalsContact O-CD2 3.29Å; L194-Y196 WeakPolarHBondContact O-CD2 3.47Å; Y196-V213 HydrophobicContact CD1-CG1 4Å; Y196-V213 HydrophobicContact CG-CG1 4.24Å; Y196-A214 CarbonylContact C-O 3.55Å; Y196-A214 WeakPolarHBondContact CA-O 3.23Å; Y196-C216 VanDerWaalsContact C-SG 3.58Å; Y196-C216 PolarHBondContact N-SG 2.78Å
197V89.8Confident84.4Confident0 Ų051.3 Ų51.30%022%0.222CC..EExtended strand (participates in β ladder)trans-112.9124.3172.9-179.80000108.9Y168 K169 V170 V213 A214 C216 V221 I228Y168-V197 HydrophobicContact CD2-CG1 4.32Å; K169-V197 CarbonylContact O-C 3.5Å; K169-V197 WeakPolarHBondContact O-CA 3.44Å; V170-V197 HydrophobicContact CG2-CG2 4.39Å; V197-V213 WeakPolarHBondContact O-CA 2.9Å; V197-A214 PolarHBondContact N-O 2.96Å; V197-A214 PolarHBondContact O-N 3.49Å; V197-C216 HydrophobicContact CG2-CB 4.38Å; V197-V221 HydrophobicContact CB-CG2 4.39Å; V197-I228 HydrophobicContact CG2-CD1 3.78Å
198Y88.9Confident82.9Confident87 Ų8753.9 Ų53.934%0.34124%0.235SC..EExtended strand (participates in β ladder)trans-93.5122.5165.6175.2-85.1000109.2Y168 K169 T212 V213Y168-Y198 CarbonylContact C-O 3.58Å; Y168-Y198 WeakPolarHBondContact CA-O 3.28Å; Y168-Y198 WeakPolarHBondContact CB-O 3.32Å; K169-Y198 PolarHBondContact N-O 2.97Å; K169-Y198 PolarHBondContact O-N 2.9Å; Y198-T212 CarbonylContact C-O 3.6Å; Y198-T212 VanDerWaalsContact CA-O 3.28Å; Y198-T212 WeakPolarHBondContact CA-O 3.34Å; Y198-T212 WeakPolarHBondContact CD2-OG1 3.31Å; Y198-T212 WeakPolarHBondContact CE2-OG1 3.33Å; Y198-V213 HydrophobicContact CD2-CG2 3.85Å
199S88.3Confident80.9Confident1 Ų158 Ų581%0.00727%0.27CS..EExtended strand (participates in β ladder)trans-154151.6172-173.40000111.2M167 F201 T212M167-S199 PolarHBondContact O-OG 3.29Å; S199-F201 VanDerWaalsContact C-N 3.27Å; S199-F201 PolarHBondContact OG-N 3.43Å; S199-F201 VanDerWaalsContact OG-N 3.11Å; S199-T212 PolarHBondContact N-O 2.95Å
200R86.1Confident79.2Confident199 Ų19963.7 Ų63.775%0.75130%0.301SS*.THydrogen-bonded Turntrans-82.1-9.5169.4-66.5-177.5176.6170-1.1112.6
201F84.8Confident78.3Confident130 Ų13067.5 Ų67.557%0.5732%0.318SS*.THydrogen-bonded Turntrans-103.817.7-175.2-55-72.5000113.1M167 S199 P222 F225M167-F201 HydrophobicContact CB-CD2 4.16Å; M167-F201 HydrophobicContact CB-CE2 4.04Å; M167-F201 HydrophobicContact CG-CE2 4.05Å; S199-F201 VanDerWaalsContact C-N 3.27Å; S199-F201 PolarHBondContact OG-N 3.43Å; S199-F201 VanDerWaalsContact OG-N 3.11Å; F201-P222 WeakPolarHBondContact O-CG 3.38Å; F201-F225 HydrophobicContact CB-CZ 4.43Å
202L83Confident78.2Confident19 Ų1968 Ų6810%0.09932%0.324CS..SBendtrans-66.8147.7171.8-60.4175.7000110.1V204 A214 V221L202-V204 PolarHBondContact O-N 2.89Å; L202-A214 HydrophobicContact CD1-CB 3.84Å; L202-A214 HydrophobicContact CD2-CB 4.16Å; L202-V221 HydrophobicContact CD2-CG2 4.01Å
203H78.6Confident78.2Confident107 Ų10769.2 Ų69.250%0.49533%0.332SS..  trans-60.4130.8-180-87.3-71.5000111.9R205 Y206 R207 G220H203-R205 PolarHBondContact O-N 2.8Å; H203-R205 VanDerWaalsContact O-N 3.1Å; H203-Y206 HydrophobicContact CB-CD2 3.55Å; H203-Y206 HydrophobicContact CB-CE2 3.96Å; H203-Y206 PolarHBondContact O-N 3.38Å; H203-R207 PolarHBondContact O-N 2.84Å; H203-G220 PolarHBondContact N-O 3.07Å; H203-G220 VanDerWaalsContact N-O 3.11Å
204V72.2Confident78.2Confident115 Ų11569.4 Ų69.470%0.69733%0.334SS*.G310 helixtrans-57.9-30.5-172.9-177.40000113.1L202 Y206 R207L202-V204 PolarHBondContact O-N 2.89Å; V204-Y206 PolarHBondContact O-N 2.83Å; V204-R207 WeakPolarHBondContact O-CB 3.36Å; V204-R207 PolarHBondContact O-N 3.29Å; V204-R207 VanDerWaalsContact O-N 3.08Å
205R72.8Confident78.2Confident139 Ų13969.3 Ų69.353%0.52533%0.333SS..G310 helixtrans-69.1-20.2179-69.1-173.8178.7167.6-0.6114.5F39 W72 H203F39-R205 PolarHBondContact N-O 3.12Å; W72-R205 VanDerWaalsContact CE2-NH1 3.25Å; H203-R205 PolarHBondContact O-N 2.8Å; H203-R205 VanDerWaalsContact O-N 3.1Å
206Y67.6Low78.1Confident22 Ų2270.4 Ų70.49%0.08634%0.341CS..G310 helixtrans-98.7-5.1174.6-55.5-86.7000111.7F39 L124 D139 H203 V204 L208F39-Y206 HydrophobicContact CB-CD1 3.51Å; F39-Y206 HydrophobicContact CB-CE1 3.77Å; F39-Y206 HydrophobicContact CB-CG 4.43Å; F39-Y206 HydrophobicContact CD2-CE1 4.21Å; F39-Y206 HydrophobicContact CG-CD1 4.23Å; F39-Y206 AromaticContact CG-CE1 3.99Å; F39-Y206 HydrophobicContact CG-CE1 3.99Å; L124-Y206 HydrophobicContact CD2-CE1 3.79Å; D139-Y206 HydrophobicContact CB-CD1 3.7Å; D139-Y206 HydrophobicContact CB-CE1 3.78Å; H203-Y206 HydrophobicContact CB-CD2 3.55Å; H203-Y206 HydrophobicContact CB-CE2 3.96Å; H203-Y206 PolarHBondContact O-N 3.38Å; V204-Y206 PolarHBondContact O-N 2.83Å; Y206-L208 PolarHBondContact O-N 2.8Å
207R61.5Low77.9Confident116 Ų11670.6 Ų70.644%0.43836%0.356SS..  trans-88.997.1174.2-177.9170.3-173.8-161.9-2.5107.7H203 V204 A209 Q211H203-R207 PolarHBondContact O-N 2.84Å; V204-R207 WeakPolarHBondContact O-CB 3.36Å; V204-R207 PolarHBondContact O-N 3.29Å; V204-R207 VanDerWaalsContact O-N 3.08Å; R207-A209 PolarHBondContact O-N 3.25Å; R207-Q211 WeakPolarHBondContact CG-O 3.36Å
208L60.8Low77.8Confident56 Ų5670.9 Ų70.929%0.29336%0.358SS..  trans-54.7133.9149.5-78.9115.2000106.9T40 Y206 N210 Q211T40-L208 HydrophobicContact CG2-CD1 4.16Å; Y206-L208 PolarHBondContact O-N 2.8Å; L208-N210 PolarHBondContact O-N 2.86Å; L208-Q211 HydrophobicContact CB-CG 4.28Å; L208-Q211 PolarHBondContact O-N 3.37Å
209A49.7Very low77.6Confident89 Ų8969.5 Ų69.574%0.73636%0.355SS*.THydrogen-bonded Turntrans-48.2114.4176.700000107.8R207R207-A209 PolarHBondContact O-N 3.25Å
210N55.8Low77.3Confident152 Ų15269.5 Ų69.581%0.81336%0.355SS*.THydrogen-bonded Turntrans100.71-174.9-48.6-35.3000119L208L208-N210 PolarHBondContact O-N 2.86Å
211Q68.8Low77.3Confident89 Ų8960.6 Ų60.642%0.41632%0.323SS..  trans-106.8113177.7-64-174.7-700112.5R207 L208R207-Q211 WeakPolarHBondContact CG-O 3.36Å; L208-Q211 HydrophobicContact CB-CG 4.28Å; L208-Q211 PolarHBondContact O-N 3.37Å
212T85.3Confident77.3Confident33 Ų3355.7 Ų55.720%0.20230%0.304CS..  trans-105.124.5174.355.20000111.9Y198 S199Y198-T212 CarbonylContact C-O 3.6Å; Y198-T212 VanDerWaalsContact CA-O 3.28Å; Y198-T212 WeakPolarHBondContact CA-O 3.34Å; Y198-T212 WeakPolarHBondContact CD2-OG1 3.31Å; Y198-T212 WeakPolarHBondContact CE2-OG1 3.33Å; S199-T212 PolarHBondContact N-O 2.95Å
213V87.7Confident77.2Confident53 Ų5360.8 Ų60.832%0.32134%0.335SS..EExtended strand (participates in β ladder)trans-130.5132.6-175.51790000108.2F171 Y196 V197 Y198F171-V213 HydrophobicContact CE1-CG1 4.24Å; F171-V213 HydrophobicContact CZ-CG1 3.84Å; F171-V213 HydrophobicContact CZ-CG2 4.38Å; Y196-V213 HydrophobicContact CD1-CG1 4Å; Y196-V213 HydrophobicContact CG-CG1 4.24Å; V197-V213 WeakPolarHBondContact O-CA 2.9Å; Y198-V213 HydrophobicContact CD2-CG2 3.85Å
214A89.2Confident77.2Confident4 Ų460.2 Ų60.23%0.03334%0.343CS..EExtended strand (participates in β ladder)trans-134.1157.4170.700000109.6Y196 V197 L202 V221Y196-A214 CarbonylContact C-O 3.55Å; Y196-A214 WeakPolarHBondContact CA-O 3.23Å; V197-A214 PolarHBondContact N-O 2.96Å; V197-A214 PolarHBondContact O-N 3.49Å; L202-A214 HydrophobicContact CD1-CB 3.84Å; L202-A214 HydrophobicContact CD2-CB 4.16Å; A214-V221 HydrophobicContact CB-CG2 3.99Å
215S90.6Very high77.4Confident0 Ų055.1 Ų55.10%031%0.312CS..EExtended strand (participates in β ladder)trans-62.9149.8171.6-157.50000111.2N41 A43 D141 Q143 C195 G217 S218 V221N41-S215 PolarHBondContact ND2-N 3.44Å; N41-S215 WeakPolarHBondContact OD1-CB 3.4Å; N41-S215 PolarHBondContact OD1-N 3.32Å; A43-S215 VanDerWaalsContact CB-OG 3.22Å; A43-S215 WeakPolarHBondContact CB-OG 3.4Å; D141-S215 WeakPolarHBondContact OD2-CB 3.28Å; D141-S215 PolarHBondContact OD2-OG 3.06Å; Q143-S215 PolarHBondContact NE2-OG 3.05Å; C195-S215 PolarHBondContact O-OG 2.86Å; S215-G217 VanDerWaalsContact C-N 3.28Å; S215-G217 PolarHBondContact O-N 3.49Å; S215-S218 WeakPolarHBondContact O-CB 3.08Å; S215-S218 PolarHBondContact O-N 3.44Å; S215-V221 WeakPolarHBondContact O-CG2 3.29Å
216C88.6Confident76.8Confident23 Ų2351.8 Ų51.816%0.15531%0.31CS..THydrogen-bonded Turntrans-63.3-30.6-174.5-67.30000114.2C195 Y196 V197C195-C216 HydrophobicContact CB-CB 3.67Å; C195-C216 WeakPolarHBondContact CB-SG 3.22Å; C195-C216 PolarHBondContact O-N 3.33Å; C195-C216 VanDerWaalsContact O-N 3.07Å; C195-C216 PolarHBondContact O-SG 2.77Å; C195-C216 WeakPolarHBondContact SG-CB 3.38Å; C195-C216 CovalentContact SG-SG 2.03Å; C195-C216 PolarHBondContact SG-SG 3.28Å; Y196-C216 VanDerWaalsContact C-SG 3.58Å; Y196-C216 PolarHBondContact N-SG 2.78Å; V197-C216 HydrophobicContact CG2-CB 4.38Å
217G86.8Confident76.3Confident49 Ų4962.3 Ų62.351%0.50535%0.35SS..THydrogen-bonded Turntrans-90.86175.200000114.6D141 S215D141-G217 WeakPolarHBondContact OD2-CA 3.43Å; D141-G217 PolarHBondContact OD2-N 3.37Å; S215-G217 VanDerWaalsContact C-N 3.28Å; S215-G217 PolarHBondContact O-N 3.49Å
218S87.7Confident76.4Confident6 Ų657.8 Ų57.84%0.04233%0.334CS..  trans-63.4139177.7169.90000112.1N41 D139 S215 G220 V221N41-S218 WeakPolarHBondContact ND2-CB 3.13Å; D139-S218 WeakPolarHBondContact OD2-CB 3.41Å; D139-S218 PolarHBondContact OD2-OG 3.46Å; S215-S218 WeakPolarHBondContact O-CB 3.08Å; S215-S218 PolarHBondContact O-N 3.44Å; S218-G220 PolarHBondContact O-N 2.99Å; S218-G220 PolarHBondContact OG-N 3.29Å; S218-V221 WeakPolarHBondContact O-CB 3.1Å; S218-V221 PolarHBondContact O-N 2.94Å; S218-V221 VanDerWaalsContact O-N 3.14Å
219E83.5Confident76.5Confident58 Ų5861.8 Ų61.827%0.27136%0.355SS..THydrogen-bonded Turntrans-67.9-17.1171.3-171169.9-170.100112.4W72 V221W72-E219 VanDerWaalsContact CB-OE1 3.23Å; W72-E219 WeakPolarHBondContact CB-OE1 3.49Å; W72-E219 VanDerWaalsContact N-CD 3.26Å; W72-E219 PolarHBondContact N-OE1 2.94Å; W72-E219 PolarHBondContact N-OE2 3.31Å; E219-V221 PolarHBondContact O-N 3.42Å
220G82.8Confident77.6Confident0 Ų061.7 Ų61.70%034%0.34CS..THydrogen-bonded Turntrans-69.7-11.6172.900000114.2H203 S218H203-G220 PolarHBondContact N-O 3.07Å; H203-G220 VanDerWaalsContact N-O 3.11Å; S218-G220 PolarHBondContact O-N 2.99Å; S218-G220 PolarHBondContact OG-N 3.29Å
221V86.2Confident78.7Confident13 Ų1359.3 Ų59.38%0.07932%0.324CS..SBendtrans-87.7122.3177.7177.40000109.7V197 L202 A214 S215 S218 E219 F225V197-V221 HydrophobicContact CB-CG2 4.39Å; L202-V221 HydrophobicContact CD2-CG2 4.01Å; A214-V221 HydrophobicContact CB-CG2 3.99Å; S215-V221 WeakPolarHBondContact O-CG2 3.29Å; S218-V221 WeakPolarHBondContact O-CB 3.1Å; S218-V221 PolarHBondContact O-N 2.94Å; S218-V221 VanDerWaalsContact O-N 3.14Å; E219-V221 PolarHBondContact O-N 3.42Å; V221-F225 HydrophobicContact CG1-CB 3.76Å; V221-F225 HydrophobicContact CG1-CD2 4.1Å; V221-F225 HydrophobicContact CG1-CG 4.44Å
222P85.1Confident79.5Confident26 Ų2655.3 Ų55.317%0.16931%0.306CS..  trans-53140.5177.2-29.434.8000113.4F201 S224 F225F201-P222 WeakPolarHBondContact O-CG 3.38Å; P222-S224 PolarHBondContact O-N 3.37Å; P222-S224 VanDerWaalsContact O-N 3.11Å; P222-F225 HydrophobicContact CB-CD2 4.08Å; P222-F225 HydrophobicContact CB-CE2 4.15Å; P222-F225 HydrophobicContact CB-CG 4.27Å; P222-F225 HydrophobicContact CB-CZ 4.4Å; P222-F225 HydrophobicContact CG-CD2 3.93Å; P222-F225 HydrophobicContact CG-CE2 3.68Å; P222-F225 HydrophobicContact CG-CZ 4.16Å; P222-F225 WeakPolarHBondContact O-CA 3.23Å; P222-F225 VanDerWaalsContact O-CB 3.3Å; P222-F225 WeakPolarHBondContact O-CB 3.23Å; P222-F225 PolarHBondContact O-N 3.13Å
223V79.1Confident79.5Confident126 Ų12657.5 Ų57.576%0.76431%0.312SS*.G310 helixtrans-60-27.5-179-175.80000112.7F225 S226V223-F225 PolarHBondContact O-N 3.13Å; V223-F225 VanDerWaalsContact O-N 3.15Å; V223-S226 VanDerWaalsContact CA-OG 3.23Å; V223-S226 WeakPolarHBondContact CA-OG 3.12Å; V223-S226 WeakPolarHBondContact O-CB 3.23Å; V223-S226 PolarHBondContact O-N 2.8Å; V223-S226 PolarHBondContact O-OG 2.67Å
224S79.1Confident79.3Confident95 Ų9555.6 Ų55.666%0.66430%0.301SS*.G310 helixtrans-62.7-18.2172.955.40000113.3P222P222-S224 PolarHBondContact O-N 3.37Å; P222-S224 VanDerWaalsContact O-N 3.11Å
225F77.4Confident79.1Confident8 Ų856.4 Ų56.44%0.03530%0.304CS..G310 helixtrans-94.2-4.5174.3-53.1-12.6000111.6M167 Y168 F201 V221 P222 V223 R227 I228M167-F225 HydrophobicContact CB-CZ 4.39Å; Y168-F225 AromaticContact CD1-CD1 3.52Å; Y168-F225 HydrophobicContact CD1-CD1 3.52Å; Y168-F225 HydrophobicContact CD1-CD2 4.11Å; Y168-F225 AromaticContact CD1-CE1 3.56Å; Y168-F225 HydrophobicContact CD1-CE1 3.56Å; Y168-F225 HydrophobicContact CD1-CE2 4.14Å; Y168-F225 AromaticContact CD1-CG 3.84Å; Y168-F225 HydrophobicContact CD1-CG 3.84Å; Y168-F225 AromaticContact CD1-CZ 3.89Å; Y168-F225 HydrophobicContact CD1-CZ 3.89Å; Y168-F225 HydrophobicContact CE1-CB 4.49Å; Y168-F225 AromaticContact CE1-CD1 3.49Å; Y168-F225 HydrophobicContact CE1-CD1 3.49Å; Y168-F225 VanDerWaalsContact CE1-CD1 3.49Å; Y168-F225 AromaticContact CE1-CE1 3.87Å; Y168-F225 HydrophobicContact CE1-CE1 3.87Å; Y168-F225 AromaticContact CE1-CG 3.99Å; Y168-F225 HydrophobicContact CE1-CG 3.99Å; Y168-F225 HydrophobicContact CG-CD1 4.38Å; Y168-F225 HydrophobicContact CG-CD2 4.23Å; Y168-F225 HydrophobicContact CG-CE2 4.39Å; Y168-F225 HydrophobicContact CG-CG 4.26Å; F201-F225 HydrophobicContact CB-CZ 4.43Å; V221-F225 HydrophobicContact CG1-CB 3.76Å; V221-F225 HydrophobicContact CG1-CD2 4.1Å; V221-F225 HydrophobicContact CG1-CG 4.44Å; P222-F225 HydrophobicContact CB-CD2 4.08Å; P222-F225 HydrophobicContact CB-CE2 4.15Å; P222-F225 HydrophobicContact CB-CG 4.27Å; P222-F225 HydrophobicContact CB-CZ 4.4Å; P222-F225 HydrophobicContact CG-CD2 3.93Å; P222-F225 HydrophobicContact CG-CE2 3.68Å; P222-F225 HydrophobicContact CG-CZ 4.16Å; P222-F225 WeakPolarHBondContact O-CA 3.23Å; P222-F225 VanDerWaalsContact O-CB 3.3Å; P222-F225 WeakPolarHBondContact O-CB 3.23Å; P222-F225 PolarHBondContact O-N 3.13Å; V223-F225 PolarHBondContact O-N 3.13Å; V223-F225 VanDerWaalsContact O-N 3.15Å; F225-R227 PolarHBondContact O-N 2.65Å; F225-I228 HydrophobicContact CB-CD1 3.9Å; F225-I228 WeakPolarHBondContact O-CD1 3.42Å; F225-I228 WeakPolarHBondContact O-CG1 3.38Å; F225-I228 PolarHBondContact O-N 2.85Å
226S59.3Low78.9Confident70 Ų7057.5 Ų57.549%0.4931%0.309SS..THydrogen-bonded Turntrans-66.10.7-174.2-59.50000116.5V223 I228V223-S226 VanDerWaalsContact CA-OG 3.23Å; V223-S226 WeakPolarHBondContact CA-OG 3.12Å; V223-S226 WeakPolarHBondContact O-CB 3.23Å; V223-S226 PolarHBondContact O-N 2.8Å; V223-S226 PolarHBondContact O-OG 2.67Å; S226-I228 PolarHBondContact O-N 2.91Å
227R58.4Low78.8Confident243 Ų24360.9 Ų60.992%0.91732%0.319SS*.THydrogen-bonded Turntrans-76.96.8170.1-65.5-171.5-177.7-171.81.4113.3F225 N229F225-R227 PolarHBondContact O-N 2.65Å; R227-N229 VanDerWaalsContact C-N 3.29Å; R227-N229 PolarHBondContact O-N 3.37Å; R227-N229 VanDerWaalsContact O-N 3.14Å
228I63.6Low79Confident20 Ų2063.7 Ų63.710%0.10333%0.331CS..  trans-88.664.7-178.8-56.2158.3000109.2Y168 V170 V197 F225 S226 Q230Y168-I228 HydrophobicContact CD2-CD1 3.92Å; Y168-I228 HydrophobicContact CE2-CD1 3.5Å; Y168-I228 HydrophobicContact CE2-CG1 4.05Å; V170-I228 HydrophobicContact CB-CG2 4.12Å; V170-I228 HydrophobicContact CG1-CG2 3.44Å; V170-I228 VanDerWaalsContact CG1-CG2 3.44Å; V170-I228 HydrophobicContact CG2-CB 4.36Å; V170-I228 HydrophobicContact CG2-CD1 3.6Å; V170-I228 HydrophobicContact CG2-CG1 3.76Å; V170-I228 HydrophobicContact CG2-CG2 3.57Å; V197-I228 HydrophobicContact CG2-CD1 3.78Å; F225-I228 HydrophobicContact CB-CD1 3.9Å; F225-I228 WeakPolarHBondContact O-CD1 3.42Å; F225-I228 WeakPolarHBondContact O-CG1 3.38Å; F225-I228 PolarHBondContact O-N 2.85Å; S226-I228 PolarHBondContact O-N 2.91Å; I228-Q230 HydrophobicContact CG2-CB 4.19Å; I228-Q230 PolarHBondContact O-N 3.04Å
229N61.3Low79.2Confident140 Ų14064.2 Ų64.275%0.74934%0.335SS*.  trans-80.269.3168.8-76.6-3.5000109R227R227-N229 VanDerWaalsContact C-N 3.29Å; R227-N229 PolarHBondContact O-N 3.37Å; R227-N229 VanDerWaalsContact O-N 3.14Å
230Q73.6Confident79.6Confident87 Ų8768.8 Ų68.841%0.40736%0.356SS..  trans-102.6110.9178.1-120.939.3-92.100110.3V162 V170 C195 I228V162-Q230 HydrophobicContact CB-CG 4.16Å; V162-Q230 HydrophobicContact CG1-CG 3.58Å; V162-Q230 HydrophobicContact CG2-CG 4.27Å; V170-Q230 HydrophobicContact CG1-CB 4.4Å; C195-Q230 WeakPolarHBondContact CB-O 3.27Å; I228-Q230 HydrophobicContact CG2-CB 4.19Å; I228-Q230 PolarHBondContact O-N 3.04Å
231E78.4Confident80.1Confident103 Ų10371.9 Ų71.948%0.48138%0.375SS..  trans-67.5136.9-175.8-72.2171.1178.100111.5P146P146-E231 WeakPolarHBondContact CB-OE2 3.37Å; P146-E231 HydrophobicContact CG-CB 3.97Å; P146-E231 HydrophobicContact CG-CG 4.32Å; P146-E231 WeakPolarHBondContact CG-OE2 3.23Å
232P85.2Confident80.3Confident5 Ų577.5 Ų77.53%0.03241%0.409CS..  trans-61.4160169.230.8-37.1000110.5Q143 E144 A145 G193 L194Q143-P232 HydrophobicContact CB-CB 4.17Å; Q143-P232 HydrophobicContact CB-CG 3.67Å; E144-P232 WeakPolarHBondContact O-CD 3.45Å; E144-P232 VanDerWaalsContact O-CG 3.23Å; E144-P232 WeakPolarHBondContact O-CG 3.35Å; A145-P232 HydrophobicContact CB-CG 3.91Å; G193-P232 CarbonylContact O-C 3.6Å; G193-P232 VanDerWaalsContact O-CA 3.23Å; G193-P232 WeakPolarHBondContact O-CA 3.36Å; G193-P232 VanDerWaalsContact O-CB 3.23Å; G193-P232 WeakPolarHBondContact O-CB 3.2Å; L194-P232 HydrophobicContact CD2-CB 4.13Å
233K85.4Confident80.4Confident78 Ų7879.5 Ų79.534%0.33942%0.423SS..EExtended strand (participates in β ladder)trans-124.5127.7-173.5-64.3-170.1179.8-173.40111.3F160 Y174 I192 G193F160-K233 HydrophobicContact CE1-CD 4.39Å; F160-K233 HydrophobicContact CZ-CD 3.97Å; Y174-K233 HydrophobicContact CE1-CB 4.03Å; Y174-K233 WeakPolarHBondContact OH-CB 3.11Å; Y174-K233 WeakPolarHBondContact OH-CD 3.16Å; I192-K233 CarbonylContact C-O 3.58Å; G193-K233 PolarHBondContact N-O 3.15Å; G193-K233 PolarHBondContact O-N 2.7Å
234V84.1Confident80.6Confident13 Ų1376.3 Ų76.38%0.07941%0.405CS..EExtended strand (participates in β ladder)trans-104.5123170.3-175.50000108.3I45 A145 L148 V190 T328I45-V234 HydrophobicContact CD1-CG2 3.4Å; I45-V234 VanDerWaalsContact CD1-CG2 3.4Å; A145-V234 HydrophobicContact CB-CG2 4.12Å; L148-V234 HydrophobicContact CD2-CB 3.94Å; L148-V234 HydrophobicContact CD2-CG1 3.62Å; V190-V234 HydrophobicContact CG1-CG1 3.81Å; V234-T328 HydrophobicContact CG2-CG2 3.98Å
235E85.2Confident80.6Confident21 Ų2177.3 Ų77.310%0.09841%0.409CS..EExtended strand (participates in β ladder)trans-114.7136.9174.6-65.4-172.117500110R151 Y174 W177 V190 R191R151-E235 IonicContact NH1-OE1 2.64Å; Y174-E235 HydrophobicContact CE1-CG 4.12Å; Y174-E235 PolarHBondContact OH-OE1 2.95Å; Y174-E235 VanDerWaalsContact OH-OE1 3.08Å; W177-E235 HydrophobicContact CH2-CB 3.92Å; W177-E235 WeakPolarHBondContact CZ3-O 3.41Å; V190-E235 WeakPolarHBondContact CA-O 3.21Å; R191-E235 HydrophobicContact CG-CB 3.91Å; R191-E235 IonicContact CZ-OE2 3.76Å; R191-E235 PolarHBondContact N-O 3.04Å; R191-E235 IonicContact NE-OE2 3.82Å; R191-E235 PolarHBondContact NE-OE2 3.3Å; R191-E235 IonicContact NH2-OE1 2.75Å; R191-E235 IonicContact NH2-OE2 3.64Å; R191-E235 PolarHBondContact NH2-OE2 3.03Å; R191-E235 PolarHBondContact O-N 3.29Å
236I85.8Confident80.2Confident23 Ų2385.5 Ų85.512%0.11845%0.447CS..EExtended strand (participates in β ladder)trans-121.9141.5-180-57.4159.1000108.1L148 E188 Q189 V190 R311L148-I236 HydrophobicContact CD1-CD1 4.09Å; L148-I236 HydrophobicContact CD2-CD1 3.72Å; L148-I236 HydrophobicContact CG-CD1 4.33Å; E188-I236 HydrophobicContact CB-CG2 4.02Å; E188-I236 HydrophobicContact CG-CG2 4Å; Q189-I236 WeakPolarHBondContact O-CA 3.27Å; V190-I236 HydrophobicContact CG2-CG1 4.32Å; I236-R311 HydrophobicContact CD1-CB 3.48Å; I236-R311 VanDerWaalsContact CD1-CB 3.48Å; I236-R311 HydrophobicContact CD1-CG 4.5Å; I236-R311 HydrophobicContact CG1-CB 4.45Å
237R87Confident80.5Confident94 Ų9486.6 Ų86.636%0.35545%0.453SS..EExtended strand (participates in β ladder)trans-138.3151.5168.669.7-177.9-174-177.10.1110.2W177 E188 Q189W177-R237 HydrophobicContact CD2-CG 4.47Å; W177-R237 HydrophobicContact CE3-CG 4Å; W177-R237 HydrophobicContact CH2-CB 4.02Å; W177-R237 HydrophobicContact CH2-CG 3.83Å; W177-R237 HydrophobicContact CZ2-CG 4.31Å; W177-R237 HydrophobicContact CZ3-CB 4.2Å; W177-R237 HydrophobicContact CZ3-CG 3.66Å; E188-R237 WeakPolarHBondContact CA-O 3.42Å; Q189-R237 HydrophobicContact CB-CG 3.97Å; Q189-R237 PolarHBondContact N-O 2.75Å; Q189-R237 PolarHBondContact O-N 3.39Å
238S90.4Very high80.6Confident108 Ų10880 Ų8076%0.75544%0.444SS*.EExtended strand (participates in β ladder)trans-71.3148.4171.351.60000111.4G187G187-S238 CarbonylContact O-C 3.59Å; G187-S238 WeakPolarHBondContact O-CA 3.2Å
239C91.6Very high80.6Confident18 Ų1882 Ų8212%0.12246%0.458CS..EExtended strand (participates in β ladder)trans-141.3158.5173.354.60000109.9C180 G187 E188 Q189C180-C239 WeakPolarHBondContact CA-SG 3.38Å; C180-C239 HydrophobicContact CB-CB 3.98Å; C180-C239 WeakPolarHBondContact CB-SG 3.3Å; C180-C239 WeakPolarHBondContact SG-CB 3.4Å; C180-C239 CovalentContact SG-SG 2.03Å; C180-C239 PolarHBondContact SG-SG 3.39Å; G187-C239 PolarHBondContact N-O 2.87Å; G187-C239 PolarHBondContact O-N 2.85Å; G187-C239 PolarHBondContact O-SG 3.49Å; E188-C239 PolarHBondContact N-SG 3.39Å; E188-C239 VanDerWaalsContact N-SG 3.45Å; Q189-C239 HydrophobicContact CG-CB 3.98Å
240Q93.4Very high80.9Confident154 Ų15479.4 Ų79.472%0.7245%0.449SS*.EExtended strand (participates in β ladder)trans-144.5120.1170.8-172.8171.3-6.800107.5
241V92.6Very high80.4Confident65 Ų6579.9 Ų79.939%0.39446%0.462SS..  trans-133.2148.5-176.9-61.30000109.8C180 R182 C183 G184C180-V241 HydrophobicContact CB-CG1 4.06Å; C180-V241 HydrophobicContact CB-CG2 3.7Å; R182-V241 WeakPolarHBondContact O-CG2 3.4Å; C183-V241 CarbonylContact C-O 3.59Å; C183-V241 WeakPolarHBondContact CA-O 3.48Å; C183-V241 HydrophobicContact CB-CG2 4.07Å; G184-V241 PolarHBondContact N-O 3.15Å
242T91.4Very high79.6Confident131 Ų13183.6 Ų83.680%0.80448%0.477SS*.PPolyproline II helixtrans-73145.8174.950.30000110.6
243C87.3Confident78.6Confident67 Ų6787.3 Ų87.345%0.45350%0.496SS..PPolyproline II helixtrans-69.3136.9177.2-70.40000111.7C183 G184C183-C243 HydrophobicContact CB-CB 3.89Å; C183-C243 WeakPolarHBondContact CB-SG 3.22Å; C183-C243 PolarHBondContact O-SG 2.9Å; C183-C243 VanDerWaalsContact O-SG 3.42Å; C183-C243 WeakPolarHBondContact SG-CA 3.49Å; C183-C243 WeakPolarHBondContact SG-CB 3.48Å; C183-C243 CovalentContact SG-SG 2.04Å; C183-C243 PolarHBondContact SG-SG 3.33Å; G184-C243 PolarHBondContact N-SG 2.88Å; G184-C243 VanDerWaalsContact N-SG 3.42Å
244P82.4Confident77.4Confident59 Ų5986.2 Ų86.238%0.38350%0.496SS..PPolyproline II helixtrans-62.2149168.127.6-32.3000109.4R352P244-R352 HydrophobicContact CG-CG 4.42Å
245P78.1Confident76.4Confident116 Ų11688.4 Ų88.475%0.75352%0.515SS*.PPolyproline II helixtrans-58.3147.217624.7-32.8000110.5
246E69.5Low75.5Confident180 Ų18092 Ų9284%0.84153%0.534SS*.PPolyproline II helixtrans-56.6134.2178.4-109.4172.4179.600110.1S248E246-S248 PolarHBondContact O-N 3.4Å
247P65.1Low74.3Confident94 Ų9492.3 Ų92.361%0.6154%0.536SS*.PPolyproline II helixtrans-60.1129.6175.224.5-30.5000108.8
248S61.2Low73.3Confident103 Ų10391.3 Ų91.372%0.7255%0.547SS*.PPolyproline II helixtrans-53.9135.3174.355.20000109.6E246E246-S248 PolarHBondContact O-N 3.4Å
249P64.4Low72.2Confident63 Ų6394.7 Ų94.741%0.40955%0.549SS..PPolyproline II helixtrans-56.4139.2-178.120.3-30.4000110.5S251 F264P249-S251 PolarHBondContact O-N 2.94Å; P249-F264 HydrophobicContact CB-CE1 4.07Å; P249-F264 HydrophobicContact CB-CZ 3.81Å; P249-F264 HydrophobicContact CG-CE1 4.38Å; P249-F264 HydrophobicContact CG-CE2 4.44Å; P249-F264 HydrophobicContact CG-CZ 4.06Å
250P67.3Low71Confident86 Ų8698.2 Ų98.256%0.55857%0.566SS**PPolyproline II helixtrans-60.3132-178.321.6-29.2000109.5K252 L253 T254P250-K252 PolarHBondContact O-N 2.87Å; P250-L253 HydrophobicContact CG-CB 3.86Å; P250-L253 HydrophobicContact CG-CD2 4.4Å; P250-L253 WeakPolarHBondContact O-CA 3.48Å; P250-L253 WeakPolarHBondContact O-CB 3.09Å; P250-L253 PolarHBondContact O-N 3.34Å; P250-T254 PolarHBondContact O-N 2.99Å; P250-T254 VanDerWaalsContact O-N 3.09Å; P250-T254 PolarHBondContact O-OG1 3.21Å
251S62.1Low69.2Low97 Ų9794 Ų9468%0.67856%0.564SS**Hα-helixtrans-52.3-32.3-173.257.10000113.9P249 T254 A255P249-S251 PolarHBondContact O-N 2.94Å; S251-T254 PolarHBondContact O-N 2.87Å; S251-A255 VanDerWaalsContact O-CB 3.31Å; S251-A255 WeakPolarHBondContact O-CB 3.43Å; S251-A255 PolarHBondContact O-N 3.08Å
252K63.2Low67.5Low181 Ų18197.2 Ų97.279%0.78757%0.57SS**Hα-helixtrans-66.6-38.4174.9-71.1-177.1177.5-178.50113.4P250 L256P250-K252 PolarHBondContact O-N 2.87Å; K252-L256 WeakPolarHBondContact O-CB 3.33Å; K252-L256 PolarHBondContact O-N 2.75Å
253L63.1Low65.6Low83 Ų8394.4 Ų94.444%0.43556%0.556SS.*Hα-helixtrans-71.6-40.5175-173.671.4000110.1P250 A255 L256 M257P250-L253 HydrophobicContact CG-CB 3.86Å; P250-L253 HydrophobicContact CG-CD2 4.4Å; P250-L253 WeakPolarHBondContact O-CA 3.48Å; P250-L253 WeakPolarHBondContact O-CB 3.09Å; P250-L253 PolarHBondContact O-N 3.34Å; L253-A255 VanDerWaalsContact C-N 3.32Å; L253-A255 PolarHBondContact O-N 2.97Å; L253-L256 PolarHBondContact O-N 2.97Å; L253-M257 HydrophobicContact CG-CG 4.4Å; L253-M257 WeakPolarHBondContact O-CB 3.28Å; L253-M257 WeakPolarHBondContact O-CG 3.24Å; L253-M257 PolarHBondContact O-N 3.45Å
254T61Low63.6Low55 Ų5596.4 Ų96.434%0.33756%0.557SS.*Hα-helixtrans-60.4-42.5174.2-49.70000111.4P250 S251 A258 F264P250-T254 PolarHBondContact O-N 2.99Å; P250-T254 VanDerWaalsContact O-N 3.09Å; P250-T254 PolarHBondContact O-OG1 3.21Å; S251-T254 PolarHBondContact O-N 2.87Å; T254-A258 VanDerWaalsContact O-CB 3.28Å; T254-A258 WeakPolarHBondContact O-CB 3.47Å; T254-A258 PolarHBondContact O-N 2.92Å; T254-F264 HydrophobicContact CG2-CE2 4.07Å
255A62.6Low61.8Low59 Ų59100.1 Ų100.149%0.48858%0.579SS.*Hα-helixtrans-67-40.8175.700000112.6S251 L253 A258 F259S251-A255 VanDerWaalsContact O-CB 3.31Å; S251-A255 WeakPolarHBondContact O-CB 3.43Å; S251-A255 PolarHBondContact O-N 3.08Å; L253-A255 VanDerWaalsContact C-N 3.32Å; L253-A255 PolarHBondContact O-N 2.97Å; A255-A258 PolarHBondContact O-N 2.48Å; A255-F259 VanDerWaalsContact O-CB 3.28Å; A255-F259 WeakPolarHBondContact O-CB 3.41Å; A255-F259 PolarHBondContact O-N 3.45Å
256L65.7Low60Low96 Ų9698.3 Ų98.350%0.50357%0.568SS.*Hα-helixtrans-67.3-40.2177.2-170.6130.7000111.9K252 L253 F259 L260K252-L256 WeakPolarHBondContact O-CB 3.33Å; K252-L256 PolarHBondContact O-N 2.75Å; L253-L256 PolarHBondContact O-N 2.97Å; L256-F259 PolarHBondContact O-N 2.91Å; L256-L260 HydrophobicContact CD2-CD1 3.66Å; L256-L260 HydrophobicContact CG-CD1 4.25Å; L256-L260 WeakPolarHBondContact O-CB 3.46Å; L256-L260 VanDerWaalsContact O-CG 3.25Å; L256-L260 WeakPolarHBondContact O-CG 3.45Å; L256-L260 PolarHBondContact O-N 2.87Å
257M61.1Low58.5Low29 Ų2992.2 Ų92.214%0.14355%0.545CS..Hα-helixtrans-67.5-41175.4-67.6-68.5-85.100111.7L253 L260 G261 Y262 F264L253-M257 HydrophobicContact CG-CG 4.4Å; L253-M257 WeakPolarHBondContact O-CB 3.28Å; L253-M257 WeakPolarHBondContact O-CG 3.24Å; L253-M257 PolarHBondContact O-N 3.45Å; M257-L260 CarbonylContact O-C 3.58Å; M257-L260 PolarHBondContact O-N 2.84Å; M257-G261 PolarHBondContact O-N 2.99Å; M257-G261 VanDerWaalsContact O-N 3.13Å; M257-Y262 PolarHBondContact O-N 2.03Å; M257-F264 HydrophobicContact CB-CE2 4.5Å; M257-F264 HydrophobicContact CG-CZ 4.4Å
258A66.5Low57.3Low73 Ų7393 Ų9360%0.60355%0.551SS**Hα-helixtrans-63.3-40.8173.400000112.1T254 A255 L260 G261T254-A258 VanDerWaalsContact O-CB 3.28Å; T254-A258 WeakPolarHBondContact O-CB 3.47Å; T254-A258 PolarHBondContact O-N 2.92Å; A255-A258 PolarHBondContact O-N 2.48Å; A258-L260 VanDerWaalsContact C-N 3.34Å; A258-G261 PolarHBondContact O-N 2.85Å
259F65.6Low56.4Low179 Ų17999.3 Ų99.379%0.78556%0.558SS**Hα-helixtrans-63.4-38.7174.8178.6-97.3000112.5A255 L256 G261A255-F259 VanDerWaalsContact O-CB 3.28Å; A255-F259 WeakPolarHBondContact O-CB 3.41Å; A255-F259 PolarHBondContact O-N 3.45Å; L256-F259 PolarHBondContact O-N 2.91Å; F259-G261 PolarHBondContact O-N 2.9Å
260L67.7Low55.1Low93 Ų93102.2 Ų102.249%0.48757%0.57SS.*THydrogen-bonded Turntrans-81.32.6177-66173.7000113.6L256 M257 A258 Y262L256-L260 HydrophobicContact CD2-CD1 3.66Å; L256-L260 HydrophobicContact CG-CD1 4.25Å; L256-L260 WeakPolarHBondContact O-CB 3.46Å; L256-L260 VanDerWaalsContact O-CG 3.25Å; L256-L260 WeakPolarHBondContact O-CG 3.45Å; L256-L260 PolarHBondContact O-N 2.87Å; M257-L260 CarbonylContact O-C 3.58Å; M257-L260 PolarHBondContact O-N 2.84Å; A258-L260 VanDerWaalsContact C-N 3.34Å; L260-Y262 VanDerWaalsContact C-N 3.31Å; L260-Y262 HydrophobicContact CB-CD2 3.61Å; L260-Y262 HydrophobicContact CB-CE2 3.94Å; L260-Y262 WeakPolarHBondContact O-CD2 3.28Å; L260-Y262 PolarHBondContact O-N 3.28Å
261G56.3Low54.1Low66 Ų66101.1 Ų101.168%0.6856%0.563SS**THydrogen-bonded Turntrans73.414.9178.300000115.1M257 A258 F259M257-G261 PolarHBondContact O-N 2.99Å; M257-G261 VanDerWaalsContact O-N 3.13Å; A258-G261 PolarHBondContact O-N 2.85Å; F259-G261 PolarHBondContact O-N 2.9Å
262Y55.3Low54Low132 Ų132102.1 Ų102.152%0.51857%0.567SS.*  trans-94.5127.7178.8-67.5-75.1000111.5M257 L260M257-Y262 PolarHBondContact O-N 2.03Å; L260-Y262 VanDerWaalsContact C-N 3.31Å; L260-Y262 HydrophobicContact CB-CD2 3.61Å; L260-Y262 HydrophobicContact CB-CE2 3.94Å; L260-Y262 WeakPolarHBondContact O-CD2 3.28Å; L260-Y262 PolarHBondContact O-N 3.28Å
263S51.3Low54Low72 Ų7294.2 Ų94.250%0.50353%0.534SS..  trans-87.5141.1166.2-63.70000109.7V265 S266S263-V265 PolarHBondContact O-N 2.79Å; S263-S266 WeakPolarHBondContact O-CB 3.31Å; S263-S266 PolarHBondContact O-N 2.75Å
264F46.5Very low54.2Low108 Ų10893.5 Ų93.547%0.47453%0.534SS..G310 helixtrans-57.2-18.6176.9-80.2-88000113.6P249 T254 M257 S266P249-F264 HydrophobicContact CB-CE1 4.07Å; P249-F264 HydrophobicContact CB-CZ 3.81Å; P249-F264 HydrophobicContact CG-CE1 4.38Å; P249-F264 HydrophobicContact CG-CE2 4.44Å; P249-F264 HydrophobicContact CG-CZ 4.06Å; T254-F264 HydrophobicContact CG2-CE2 4.07Å; M257-F264 HydrophobicContact CB-CE2 4.5Å; M257-F264 HydrophobicContact CG-CZ 4.4Å; F264-S266 VanDerWaalsContact C-N 3.27Å; F264-S266 PolarHBondContact O-N 2.92Å
265V44.9Very low54.3Low138 Ų13892.9 Ų92.984%0.83654%0.535SS*.G310 helixtrans-73.1-19.3175.8-173.20000112.2S263S263-V265 PolarHBondContact O-N 2.79Å
266S38.8Very low54.6Low77 Ų7795.1 Ų95.154%0.53853%0.532SS..G310 helixtrans-105.44.6-164-460000114.9S263 F264 P268S263-S266 WeakPolarHBondContact O-CB 3.31Å; S263-S266 PolarHBondContact O-N 2.75Å; F264-S266 VanDerWaalsContact C-N 3.27Å; F264-S266 PolarHBondContact O-N 2.92Å; S266-P268 WeakPolarHBondContact O-CD 3.34Å
267C38Very low54.2Low52 Ų5297.5 Ų97.535%0.35154%0.538SS..  trans-124.679.6179.8-140.90000112.8W269 L270C267-W269 PolarHBondContact O-N 3.14Å; C267-L270 HydrophobicContact CB-CD1 4.43Å
268P41.4Very low54.3Low112 Ų112100.4 Ų100.473%0.72755%0.551SS**THydrogen-bonded Turntrans-68.8-6.4177.5-17.530.9000114.9S266S266-P268 WeakPolarHBondContact O-CD 3.34Å
269W40.7Very low53.7Low234 Ų234101 Ų10189%0.88655%0.549SS*.THydrogen-bonded Turntrans-99.8-6.2-166.1-63.490000114.7C267 P271C267-W269 PolarHBondContact O-N 3.14Å; W269-P271 VanDerWaalsContact O-CD 3.25Å; W269-P271 WeakPolarHBondContact O-CD 3.39Å
270L38Very low53.2Low124 Ų12492.8 Ų92.865%0.64951%0.514SS*.SBendtrans-79.6112.9169.7-89.1128.9000108.1C267C267-L270 HydrophobicContact CB-CD1 4.43Å
271P46.8Very low52.2Low64 Ų6498.5 Ų98.542%0.41653%0.529SS..  trans-58.7138.2173.225.5-32000108W269 V273W269-P271 VanDerWaalsContact O-CD 3.25Å; W269-P271 WeakPolarHBondContact O-CD 3.39Å; P271-V273 WeakPolarHBondContact CB-O 3.34Å; P271-V273 PolarHBondContact O-N 2.9Å
272P59.3Low52.2Low117 Ų117101.2 Ų101.276%0.7652%0.519SS*.SBendtrans-62.9-7.9-177.122.9-32.3000113.1
273V63.8Low52.1Low15 Ų1596 Ų969%0.09150%0.502CS..SBendtrans-140150.9177.3-68.50000110.8P271 A275 R353 Q356P271-V273 WeakPolarHBondContact CB-O 3.34Å; P271-V273 PolarHBondContact O-N 2.9Å; V273-A275 PolarHBondContact O-N 3.25Å; V273-R353 HydrophobicContact CG1-CB 4.28Å; V273-R353 HydrophobicContact CG1-CG 4.07Å; V273-R353 VanDerWaalsContact CG1-O 3.3Å; V273-R353 WeakPolarHBondContact CG1-O 3.36Å; V273-Q356 HydrophobicContact CG2-CB 3.95Å
274P68.1Low52.5Low68 Ų6898.5 Ų98.544%0.44251%0.509SS..  trans-57.5135.5174.123.3-34.2000111.6Y276 A354 A355 Q356P274-Y276 HydrophobicContact CB-CE2 3.72Å; P274-Y276 HydrophobicContact CG-CE2 3.94Å; P274-A354 WeakPolarHBondContact CD-O 3.37Å; P274-A354 WeakPolarHBondContact CG-O 3.38Å; P274-A355 WeakPolarHBondContact O-CA 3.21Å; P274-Q356 PolarHBondContact O-N 2.91Å
275A63.1Low53.3Low43 Ų4394.4 Ų94.436%0.35550%0.497SS..EExtended strand (participates in β ladder)trans-102126.2179.800000110.8V273 Q356V273-A275 PolarHBondContact O-N 3.25Å; A275-Q356 CarbonylContact C-O 3.42Å; A275-Q356 VanDerWaalsContact CA-O 3.28Å; A275-Q356 WeakPolarHBondContact CA-O 3.06Å; A275-Q356 HydrophobicContact CB-CB 4.48Å
276Y68Low54.7Low106 Ų10691.4 Ų91.442%0.41648%0.479SS..EExtended strand (participates in β ladder)trans-115.6139.6178.4-61.4-91.7000110P274 P292 A355 Q356 I357 R358P274-Y276 HydrophobicContact CB-CE2 3.72Å; P274-Y276 HydrophobicContact CG-CE2 3.94Å; Y276-P292 HydrophobicContact CD2-CG 3.73Å; Y276-P292 HydrophobicContact CE1-CG 4.38Å; Y276-P292 HydrophobicContact CE2-CB 3.83Å; Y276-P292 HydrophobicContact CE2-CG 3.55Å; Y276-P292 HydrophobicContact CG-CG 4.22Å; Y276-A355 HydrophobicContact CD2-CB 4Å; Y276-A355 HydrophobicContact CE2-CB 3.91Å; Y276-Q356 PolarHBondContact N-O 3.03Å; Y276-I357 CarbonylContact O-C 3.58Å; Y276-I357 WeakPolarHBondContact O-CA 3.28Å; Y276-R358 PolarHBondContact O-N 3.46Å
277F58.2Low56.6Low145 Ų14588 Ų8864%0.63646%0.455SS*.EExtended strand (participates in β ladder)trans-103124173.4-70.8-93.7000108.7P279 R358F277-P279 WeakPolarHBondContact O-CD 3.44Å; F277-R358 HydrophobicContact CD1-CB 3.95Å; F277-R358 HydrophobicContact CE1-CB 4.17Å; F277-R358 VanDerWaalsContact CE1-CD 3.41Å; F277-R358 HydrophobicContact CE1-CG 4.36Å
278H63.2Low58.6Low91 Ų9188 Ų8842%0.42145%0.453SS..EExtended strand (participates in β ladder)trans-117.890.8178.7-146.5-62.3000109L289 I357 R358 L360H278-L289 HydrophobicContact CB-CD2 4.24Å; H278-I357 HydrophobicContact CB-CG2 4.1Å; H278-R358 PolarHBondContact N-O 3.39Å; H278-L360 PolarHBondContact O-N 2.87Å
279P52.6Low60.6Low86 Ų8682.7 Ų82.756%0.55842%0.419SS*.EExtended strand (participates in β ladder)trans-70.2130.5174.227.8-30.8000109.3F277F277-P279 WeakPolarHBondContact O-CD 3.44Å
280C55.6Low62.6Low6 Ų673.4 Ų73.44%0.04140%0.396CS..EExtended strand (participates in β ladder)trans-116.4119.6174.9-174.10000110V287 L359 L360 V361 Y362C280-V287 WeakPolarHBondContact SG-CG2 3.36Å; C280-L359 HydrophobicContact CB-CD1 4.26Å; C280-L360 WeakPolarHBondContact CB-O 3.47Å; C280-L360 PolarHBondContact N-O 2.79Å; C280-V361 HydrophobicContact CB-CG2 4.32Å; C280-Y362 WeakPolarHBondContact O-CD2 3.3Å; C280-Y362 PolarHBondContact O-N 2.93Å
281W47.2Very low64.8Low212 Ų21268 Ų6880%0.80337%0.369SS*.  trans-89.8-2.9-167.7-151-87.8000114.7
282Y55.5Low66.5Low123 Ų12367 Ų6748%0.48236%0.362SS..  trans-135.6121.6-175.142.4-93.5000112.2V287Y282-V287 HydrophobicContact CE2-CG2 4.05Å
283T53.4Low67.3Low24 Ų2464.6 Ų64.615%0.14736%0.358CS..SBendtrans-71.7151.9154.940.50000109.8G285 V361 Y362 H364T283-G285 VanDerWaalsContact C-N 3.28Å; T283-G285 PolarHBondContact O-N 3.24Å; T283-V361 HydrophobicContact CG2-CG1 4.03Å; T283-Y362 VanDerWaalsContact CG2-O 3.31Å; T283-Y362 WeakPolarHBondContact CG2-O 3.41Å; T283-H364 WeakPolarHBondContact OG1-CB 3.42Å; T283-H364 PolarHBondContact OG1-N 3Å
284D59Low68.1Low124 Ų12465.9 Ų65.966%0.66337%0.371SS*.SBendtrans77.8-3.7176.7-51.1-42.2000116.7A337D284-A337 PolarHBondContact N-O 3.24Å
285G64.6Low68.5Low21 Ų2170.7 Ų70.722%0.21638%0.38CS..SBendtrans-89.1166.9169.700000114T283 A337T283-G285 VanDerWaalsContact C-N 3.28Å; T283-G285 PolarHBondContact O-N 3.24Å; G285-A337 PolarHBondContact O-N 2.77Å; G285-A337 VanDerWaalsContact O-N 3.08Å
286V74.1Confident68.8Low75 Ų7571.5 Ų71.546%0.45538%0.381SS..  trans-79.5123.3170.8-175.70000108.9V333 F334 N335V286-V333 HydrophobicContact CG1-CG1 3.73Å; V286-F334 VanDerWaalsContact CA-O 3.28Å; V286-F334 WeakPolarHBondContact CA-O 3.25Å; V286-N335 HydrophobicContact CG2-CB 4.26Å
287V78.7Confident69.1Low6 Ų672.3 Ų72.34%0.03639%0.393CS..EExtended strand (participates in β ladder)trans-112.5133.9176.1179.80000108.3C280 Y282 V333 F334 A337 L359C280-V287 WeakPolarHBondContact SG-CG2 3.36Å; Y282-V287 HydrophobicContact CE2-CG2 4.05Å; V287-V333 CarbonylContact O-C 3.46Å; V287-V333 WeakPolarHBondContact O-CA 3.32Å; V287-F334 HydrophobicContact CB-CB 4.19Å; V287-F334 HydrophobicContact CB-CD2 4.09Å; V287-F334 HydrophobicContact CB-CG 4.48Å; V287-F334 HydrophobicContact CG1-CD2 4.2Å; V287-F334 PolarHBondContact N-O 2.79Å; V287-F334 WeakPolarHBondContact O-CD2 3.21Å; V287-F334 PolarHBondContact O-N 3.18Å; V287-A337 HydrophobicContact CB-CB 4.03Å; V287-A337 HydrophobicContact CG2-CB 3.41Å; V287-A337 VanDerWaalsContact CG2-CB 3.41Å; V287-L359 HydrophobicContact CG1-CD1 4.41Å
288T80.2Confident70.3Confident52 Ų5267.3 Ų67.332%0.31937%0.372SS..EExtended strand (participates in β ladder)trans-127122.8-179.7-58.80000109.2H331 L332 V333T288-H331 HydrophobicContact CG2-CB 3.37Å; T288-L332 CarbonylContact C-O 3.47Å; T288-L332 WeakPolarHBondContact CA-O 3.18Å; T288-V333 HydrophobicContact CG2-CG2 4.07Å
289L81.8Confident71.5Confident1 Ų163.2 Ų63.21%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-102.6124.6174.6-63.1179000110.2H278 W302 H331 L332 F334 Y345 L359H278-L289 HydrophobicContact CB-CD2 4.24Å; L289-W302 HydrophobicContact CB-CH2 3.85Å; L289-W302 HydrophobicContact CB-CZ2 4.36Å; L289-W302 HydrophobicContact CB-CZ3 4.34Å; L289-W302 VanDerWaalsContact O-CZ2 3.27Å; L289-W302 WeakPolarHBondContact O-CZ2 2.99Å; L289-H331 WeakPolarHBondContact O-CA 3.41Å; L289-H331 WeakPolarHBondContact O-CB 3.5Å; L289-L332 HydrophobicContact CB-CB 4.28Å; L289-L332 HydrophobicContact CD1-CD2 4.42Å; L289-L332 PolarHBondContact N-O 3.23Å; L289-L332 PolarHBondContact O-N 2.88Å; L289-F334 HydrophobicContact CD1-CE2 3.83Å; L289-F334 HydrophobicContact CD1-CZ 4.25Å; L289-F334 HydrophobicContact CG-CE2 4.04Å; L289-Y345 HydrophobicContact CD1-CD2 4.46Å; L289-L359 HydrophobicContact CD1-CB 4.49Å; L289-L359 HydrophobicContact CD1-CD2 4.29Å; L289-L359 HydrophobicContact CD2-CD1 4.29Å
290G83.9Confident73.4Confident39 Ų3959.2 Ų59.240%0.40233%0.327SS..PPolyproline II helixtrans-95.9146168.600000111.3P292G290-P292 WeakPolarHBondContact O-CD 3.22Å
291C84.1Confident75.1Confident11 Ų1159 Ų597%0.07433%0.326CS..PPolyproline II helixtrans-82124.3173.4-176.60000109.7G293 A294 V300 W302 C347 L349C291-G293 PolarHBondContact O-N 3.28Å; C291-A294 HydrophobicContact CB-CB 4.29Å; C291-A294 VanDerWaalsContact O-CB 3.22Å; C291-A294 WeakPolarHBondContact O-CB 3.44Å; C291-A294 PolarHBondContact O-N 2.9Å; C291-A294 VanDerWaalsContact O-N 3.15Å; C291-V300 HydrophobicContact CB-CG1 3.53Å; C291-V300 HydrophobicContact CB-CG2 4.38Å; C291-W302 HydrophobicContact CB-CH2 4.31Å; C291-W302 HydrophobicContact CB-CZ2 4.04Å; C291-C347 HydrophobicContact CB-CB 3.52Å; C291-C347 WeakPolarHBondContact CB-SG 3.48Å; C291-C347 WeakPolarHBondContact SG-CB 3.29Å; C291-C347 CovalentContact SG-SG 2.04Å; C291-C347 PolarHBondContact SG-SG 3.43Å; C291-L349 HydrophobicContact CB-CD2 4.13Å; C291-L349 WeakPolarHBondContact SG-CD2 3.34Å; C291-L349 VanDerWaalsContact SG-CG 3.59Å
292P83.1Confident77.3Confident42 Ų4248.9 Ų48.927%0.27329%0.287SS..THydrogen-bonded Turntrans-56.8132.2178.5-26.435.5000112Y276 G290 A294 A355Y276-P292 HydrophobicContact CD2-CG 3.73Å; Y276-P292 HydrophobicContact CE1-CG 4.38Å; Y276-P292 HydrophobicContact CE2-CB 3.83Å; Y276-P292 HydrophobicContact CE2-CG 3.55Å; Y276-P292 HydrophobicContact CG-CG 4.22Å; G290-P292 WeakPolarHBondContact O-CD 3.22Å; P292-A294 VanDerWaalsContact C-N 3.27Å; P292-A294 PolarHBondContact O-N 3Å; P292-A355 HydrophobicContact CG-CB 4.09Å
293G75.5Confident79.1Confident66 Ų6643.5 Ų43.568%0.6827%0.267SS*.THydrogen-bonded Turntrans78.80.9-18000000115.4C291 R295C291-G293 PolarHBondContact O-N 3.28Å; G293-R295 PolarHBondContact O-N 3.48Å
294A80.8Confident80.9Confident43 Ų4345.8 Ų45.836%0.35528%0.276SS..  trans-63.2132.2171.800000110.9C291 P292 V300 L349C291-A294 HydrophobicContact CB-CB 4.29Å; C291-A294 VanDerWaalsContact O-CB 3.22Å; C291-A294 WeakPolarHBondContact O-CB 3.44Å; C291-A294 PolarHBondContact O-N 2.9Å; C291-A294 VanDerWaalsContact O-N 3.15Å; P292-A294 VanDerWaalsContact C-N 3.27Å; P292-A294 PolarHBondContact O-N 3Å; A294-V300 HydrophobicContact CB-CG2 4.03Å; A294-L349 HydrophobicContact CB-CD2 3.78Å
295R76.1Confident82.3Confident169 Ų16941.5 Ų41.564%0.63826%0.261SS*.  trans-100.6157.6168.3-58.4-172.9-172.7178.6-1.4110.1G293 N297 M298G293-R295 PolarHBondContact O-N 3.48Å; R295-N297 WeakPolarHBondContact CB-OD1 3.44Å; R295-N297 PolarHBondContact O-N 2.86Å; R295-M298 HydrophobicContact CB-CE 4.27Å; R295-M298 HydrophobicContact CB-CG 3.97Å; R295-M298 HydrophobicContact CB-SD 4Å; R295-M298 HydrophobicContact CG-CE 3.97Å; R295-M298 HydrophobicContact CG-SD 4.06Å; R295-M298 WeakPolarHBondContact O-CB 3.48Å; R295-M298 PolarHBondContact O-N 2.93Å
296P70.1Confident83.3Confident59 Ų5945.7 Ų45.738%0.38329%0.287SS..THydrogen-bonded Turntrans-53.5-27.6-178.9-30.736.6000116.1T49T49-P296 HydrophobicContact CG2-CG 4.2Å; T49-P296 WeakPolarHBondContact O-CB 3.41Å; T49-P296 VanDerWaalsContact O-CG 3.3Å; T49-P296 WeakPolarHBondContact O-CG 3.5Å
297N73.1Confident84.1Confident123 Ų12347.1 Ų47.166%0.65829%0.292SS*.THydrogen-bonded Turntrans-93.1-1.1-17965.8-21.3000113.8R295R295-N297 WeakPolarHBondContact CB-OD1 3.44Å; R295-N297 PolarHBondContact O-N 2.86Å
298M83.9Confident84.6Confident40 Ų4049 Ų4920%0.19730%0.304CS..SBendtrans-92.1142.7-179.1-63.5-176.316900110.9R295 H330 Q350R295-M298 HydrophobicContact CB-CE 4.27Å; R295-M298 HydrophobicContact CB-CG 3.97Å; R295-M298 HydrophobicContact CB-SD 4Å; R295-M298 HydrophobicContact CG-CE 3.97Å; R295-M298 HydrophobicContact CG-SD 4.06Å; R295-M298 WeakPolarHBondContact O-CB 3.48Å; R295-M298 PolarHBondContact O-N 2.93Å; M298-H330 PolarHBondContact O-CD2 3.49Å; M298-H330 PolarHBondContact O-NE2 2.04Å; M298-Q350 HydrophobicContact CB-CG 4.3Å; M298-Q350 HydrophobicContact CG-CG 4.34Å
299V88.8Confident85.1Confident5 Ų547.2 Ų47.23%0.0329%0.293CS..  trans-84.1136.8170.768.50000109.8V179 D181 Q350V179-V299 HydrophobicContact CG2-CG1 3.52Å; D181-V299 HydrophobicContact CB-CG1 4.4Å; D181-V299 HydrophobicContact CB-CG2 3.88Å; V299-Q350 PolarHBondContact O-N 3.33Å; V299-Q350 VanDerWaalsContact O-N 3.14Å
300V91.6Very high85.4Confident3 Ų349.2 Ų49.22%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-118.8131.3174.7-165.30000111.2C291 A294 W302 H330 C347 W348 L349C291-V300 HydrophobicContact CB-CG1 3.53Å; C291-V300 HydrophobicContact CB-CG2 4.38Å; A294-V300 HydrophobicContact CB-CG2 4.03Å; V300-W302 HydrophobicContact CG1-CZ2 4.47Å; V300-H330 HydrophobicContact CB-CB 3.68Å; V300-H330 HydrophobicContact CG2-CB 3.62Å; V300-C347 HydrophobicContact CG1-CB 4.15Å; V300-W348 WeakPolarHBondContact CA-O 3.44Å; V300-W348 WeakPolarHBondContact CG1-O 3.38Å; V300-L349 HydrophobicContact CB-CD2 4.45Å; V300-L349 HydrophobicContact CG1-CD2 4.24Å; V300-L349 HydrophobicContact CG2-CD2 3.73Å
301G92.4Very high85.5Confident0 Ų047.9 Ų47.90%028%0.283CS..EExtended strand (participates in β ladder)trans-107.1153.8168.100000111.2C347 W348G301-C347 CarbonylContact O-C 3.5Å; G301-C347 WeakPolarHBondContact O-CA 3.34Å; G301-W348 PolarHBondContact N-O 2.6Å; G301-W348 PolarHBondContact O-N 3.25Å
302W93.1Very high85.1Confident0 Ų049.8 Ų49.80%030%0.297CS..EExtended strand (participates in β ladder)trans-132.8129.9-175.1-73.898.3000112.1R182 L289 C291 V300 I309 I326 H330 L332 Y346 C347 I357R182-W302 VanDerWaalsContact NH2-C 3.31Å; R182-W302 PolarHBondContact NH2-O 3.35Å; L289-W302 HydrophobicContact CB-CH2 3.85Å; L289-W302 HydrophobicContact CB-CZ2 4.36Å; L289-W302 HydrophobicContact CB-CZ3 4.34Å; L289-W302 VanDerWaalsContact O-CZ2 3.27Å; L289-W302 WeakPolarHBondContact O-CZ2 2.99Å; C291-W302 HydrophobicContact CB-CH2 4.31Å; C291-W302 HydrophobicContact CB-CZ2 4.04Å; V300-W302 HydrophobicContact CG1-CZ2 4.47Å; W302-I309 HydrophobicContact CB-CB 4.46Å; W302-I309 HydrophobicContact CB-CD1 4.48Å; W302-I309 WeakPolarHBondContact O-CA 3.44Å; W302-I309 WeakPolarHBondContact O-CB 3.16Å; W302-I309 PolarHBondContact O-N 2.06Å; W302-I326 HydrophobicContact CB-CD1 4.15Å; W302-I326 HydrophobicContact CG-CD1 4.46Å; W302-H330 PolarHBondContact NE1-O 3.32Å; W302-L332 HydrophobicContact CB-CD1 4.46Å; W302-L332 HydrophobicContact CB-CD2 4.45Å; W302-L332 HydrophobicContact CD2-CB 3.79Å; W302-L332 HydrophobicContact CD2-CD2 4.17Å; W302-L332 HydrophobicContact CE3-CB 4.27Å; W302-L332 HydrophobicContact CE3-CD2 4.03Å; W302-L332 HydrophobicContact CG-CB 4.02Å; W302-L332 HydrophobicContact CG-CD1 4.48Å; W302-L332 HydrophobicContact CG-CD2 4.37Å; W302-L332 HydrophobicContact CZ2-CB 4.21Å; W302-Y346 CarbonylContact C-O 3.56Å; W302-Y346 WeakPolarHBondContact CA-O 3.07Å; W302-C347 HydrophobicContact CD2-CB 4.21Å; W302-C347 HydrophobicContact CE3-CB 3.89Å; W302-C347 HydrophobicContact CH2-CB 3.9Å; W302-C347 HydrophobicContact CZ2-CB 4.2Å; W302-C347 HydrophobicContact CZ3-CB 3.73Å; W302-I357 HydrophobicContact CH2-CD1 3.74Å; W302-I357 HydrophobicContact CZ3-CD1 3.82Å
303D92.5Very high84.4Confident11 Ų1153.5 Ų53.56%0.05931%0.311CS..EExtended strand (participates in β ladder)trans-119144.3174-56.3-14.4000109.9R182 N307 P308 Y345 Y346 W348R182-D303 IonicContact CZ-OD1 3.28Å; R182-D303 IonicContact NE-OD1 3.61Å; R182-D303 PolarHBondContact NE-OD1 2.95Å; R182-D303 IonicContact NH2-OD1 2.95Å; R182-D303 PolarHBondContact NH2-OD1 2.9Å; D303-N307 CarbonylContact C-O 3.59Å; D303-N307 WeakPolarHBondContact CA-O 3.03Å; D303-P308 WeakPolarHBondContact OD1-CA 3.43Å; D303-Y345 CarbonylContact O-C 3.49Å; D303-Y345 WeakPolarHBondContact O-CA 3.4Å; D303-Y346 PolarHBondContact N-O 2.92Å; D303-Y346 PolarHBondContact O-N 2.94Å; D303-W348 PolarHBondContact OD2-NE1 3.31Å
304Q91.6Very high83.5Confident72 Ų7254.1 Ų54.134%0.33629%0.294SS..EExtended strand (participates in β ladder)trans-103.6105.9168.2-174.1-178.318.400108.2S306 N307 I309 Y345Q304-S306 PolarHBondContact O-N 2.9Å; Q304-S306 VanDerWaalsContact O-N 3.16Å; Q304-N307 PolarHBondContact N-O 2.75Å; Q304-N307 WeakPolarHBondContact O-CB 3.4Å; Q304-N307 PolarHBondContact O-N 3.5Å; Q304-I309 HydrophobicContact CB-CD1 4.22Å; Q304-I309 HydrophobicContact CB-CG1 4.49Å; Q304-Y345 HydrophobicContact CB-CD1 4.16Å; Q304-Y345 HydrophobicContact CB-CE1 3.89Å; Q304-Y345 HydrophobicContact CG-CD1 4.35Å; Q304-Y345 HydrophobicContact CG-CE1 3.79Å; Q304-Y345 PolarHBondContact NE2-OH 3.15Å
305G87.8Confident82.1Confident34 Ų3455.3 Ų55.335%0.35130%0.297SS..THydrogen-bonded Turntrans59.3-116.5-169.800000110.9V344 Y346G305-V344 PolarHBondContact N-O 3.14Å; G305-Y346 VanDerWaalsContact O-CD2 3.31Å; G305-Y346 WeakPolarHBondContact O-CD2 3.38Å; G305-Y346 WeakPolarHBondContact O-CE2 3.32Å
306S86.3Confident80.4Confident108 Ų10850.6 Ų50.676%0.75529%0.291SS*.THydrogen-bonded Turntrans-93.7-6.1174.4560000114.1Q304 P308Q304-S306 PolarHBondContact O-N 2.9Å; Q304-S306 VanDerWaalsContact O-N 3.16Å; S306-P308 WeakPolarHBondContact O-CD 3.28Å
307N90.1Very high79Confident106 Ų10654.2 Ų54.257%0.56731%0.314SS*.EExtended strand (participates in β ladder)trans-93.4116.5-173.2-64.1-28.7000110.1D303 Q304D303-N307 CarbonylContact C-O 3.59Å; D303-N307 WeakPolarHBondContact CA-O 3.03Å; Q304-N307 PolarHBondContact N-O 2.75Å; Q304-N307 WeakPolarHBondContact O-CB 3.4Å; Q304-N307 PolarHBondContact O-N 3.5Å
308P90.3Very high77.8Confident45 Ų4551.2 Ų51.229%0.29231%0.312SS..EExtended strand (participates in β ladder)trans-70.6137.1177.528.3-33.1000110.9D303 S306 Y310D303-P308 WeakPolarHBondContact OD1-CA 3.43Å; S306-P308 WeakPolarHBondContact O-CD 3.28Å; P308-Y310 HydrophobicContact CB-CE1 4.2Å; P308-Y310 HydrophobicContact CB-CE2 3.88Å; P308-Y310 HydrophobicContact CG-CE2 3.56Å; P308-Y310 VanDerWaalsContact CG-OH 3.31Å; P308-Y310 WeakPolarHBondContact CG-OH 3.47Å
309I90.8Very high76.1Confident15 Ų1555 Ų558%0.07733%0.333CS..EExtended strand (participates in β ladder)trans-96.7117.6170.6-52.2175.3000107.3R182 W302 Q304 I326 L332 Y345R182-I309 PolarHBondContact NH2-O 3.49Å; W302-I309 HydrophobicContact CB-CB 4.46Å; W302-I309 HydrophobicContact CB-CD1 4.48Å; W302-I309 WeakPolarHBondContact O-CA 3.44Å; W302-I309 WeakPolarHBondContact O-CB 3.16Å; W302-I309 PolarHBondContact O-N 2.06Å; Q304-I309 HydrophobicContact CB-CD1 4.22Å; Q304-I309 HydrophobicContact CB-CG1 4.49Å; I309-I326 HydrophobicContact CB-CD1 4.49Å; I309-I326 HydrophobicContact CG2-CD1 4.19Å; I309-I326 HydrophobicContact CG2-CG1 4.32Å; I309-L332 HydrophobicContact CD1-CD1 3.98Å; I309-L332 HydrophobicContact CD1-CD2 4.13Å; I309-Y345 HydrophobicContact CD1-CD1 4.49Å; I309-Y345 HydrophobicContact CD1-CE1 4.32Å
310Y88.1Confident74.4Confident43 Ų4362.1 Ų62.117%0.16936%0.364CS..PPolyproline II helixtrans-101.7149.7176.3-61.1-68.9000111.7P186 E188 P308 E313P186-Y310 WeakPolarHBondContact O-CE1 3.22Å; P186-Y310 PolarHBondContact O-OH 2.76Å; P186-Y310 VanDerWaalsContact O-OH 3.14Å; E188-Y310 HydrophobicContact CG-CD1 3.92Å; P308-Y310 HydrophobicContact CB-CE1 4.2Å; P308-Y310 HydrophobicContact CB-CE2 3.88Å; P308-Y310 HydrophobicContact CG-CE2 3.56Å; P308-Y310 VanDerWaalsContact CG-OH 3.31Å; P308-Y310 WeakPolarHBondContact CG-OH 3.47Å; Y310-E313 WeakPolarHBondContact CD2-OE2 3.29Å
311R86.4Confident73Confident10 Ų1071 Ų714%0.03840%0.399CS..SBendtrans-71.5-35.4173.6-66.8168.4-179.1-97.8-5.7111.5L148 E188 I236 I326 D327 H330L148-R311 HydrophobicContact CD1-CB 4.21Å; E188-R311 PolarHBondContact OE1-N 2.8Å; E188-R311 VanDerWaalsContact OE2-CB 3.31Å; E188-R311 WeakPolarHBondContact OE2-CB 3.41Å; E188-R311 PolarHBondContact OE2-N 2.64Å; I236-R311 HydrophobicContact CD1-CB 3.48Å; I236-R311 VanDerWaalsContact CD1-CB 3.48Å; I236-R311 HydrophobicContact CD1-CG 4.5Å; I236-R311 HydrophobicContact CG1-CB 4.45Å; R311-I326 HydrophobicContact CG-CB 4.01Å; R311-I326 HydrophobicContact CG-CD1 4.17Å; R311-D327 PolarHBondContact NH1-O 2.75Å; R311-D327 PolarHBondContact NH2-O 3.5Å; R311-H330 PolarHBondContact NH2-ND1 3.01Å
312S75.6Confident72.1Confident51 Ų5172.7 Ų72.736%0.35741%0.409SS..SBendtrans-76.9-30.2-175.858.70000114.3E188 K314 T315E188-S312 WeakPolarHBondContact OE1-CB 3.34Å; E188-S312 PolarHBondContact OE1-N 2.95Å; E188-S312 PolarHBondContact OE1-OG 2.79Å; S312-K314 PolarHBondContact O-N 2.62Å; S312-T315 PolarHBondContact O-N 3.42Å
313E67.7Low71.7Confident121 Ų12176.1 Ų76.157%0.56542%0.423SS*.THydrogen-bonded Turntrans-70-15.8-168.4-167171.5-149.600114Y310Y310-E313 WeakPolarHBondContact CD2-OE2 3.29Å
314K56.9Low71.3Confident78 Ų7876.3 Ų76.334%0.33942%0.423SS..THydrogen-bonded Turntrans-108.511.6-178.4-61.6-171.7-171.5174.50114.9S312 S316 P322 I324S312-K314 PolarHBondContact O-N 2.62Å; K314-S316 PolarHBondContact O-N 2.93Å; K314-P322 HydrophobicContact CB-CB 3.72Å; K314-P322 HydrophobicContact CB-CG 3.82Å; K314-P322 HydrophobicContact CD-CB 3.66Å; K314-P322 HydrophobicContact CD-CG 4.43Å; K314-P322 HydrophobicContact CG-CB 4.3Å; K314-I324 WeakPolarHBondContact CD-O 3.01Å; K314-I324 PolarHBondContact NZ-O 3.42Å
315T50.8Low71Confident68 Ų6877.4 Ų77.442%0.41743%0.427SS..  trans-89.546.5168.8-37.60000111.1L148 S312L148-T315 WeakPolarHBondContact O-CG2 3.27Å; S312-T315 PolarHBondContact O-N 3.42Å
316S41.5Very low71Confident71 Ų7176.2 Ų76.250%0.49741%0.413SS..  trans-73.5141.8174.2-62.10000110.2K314 G318 N319K314-S316 PolarHBondContact O-N 2.93Å; S316-G318 PolarHBondContact O-N 3.5Å; S316-N319 PolarHBondContact O-N 2.86Å
317P40.3Very low70.7Confident135 Ų13572.3 Ų72.388%0.87738%0.383SS*.THydrogen-bonded Turntrans-71.196.1-177.829.5-31.7000109.2
318G46.7Very low70.3Confident60 Ų6068.9 Ų68.962%0.61937%0.366SS*.THydrogen-bonded Turntrans144.3-19.7178.300000115S316S316-G318 PolarHBondContact O-N 3.5Å
319N49.3Very low69.7Low119 Ų11967.4 Ų67.464%0.63636%0.359SS*.  trans-123.775.5177.4-131.6-9.5000109.5S316 Y321S316-N319 PolarHBondContact O-N 2.86Å; N319-Y321 PolarHBondContact O-N 2.97Å; N319-Y321 VanDerWaalsContact O-N 3.11Å
320F53Low69.5Low155 Ų15567.9 Ų67.968%0.6836%0.361SS*.SBendtrans-63.3-17.4-171.3-70.6-84.3000114.1
321Y62.7Low69.3Low189 Ų18967.1 Ų67.174%0.74136%0.359SS*.SBendtrans-13384.5-177.8-59-74.7000110.7N319 R323N319-Y321 PolarHBondContact O-N 2.97Å; N319-Y321 VanDerWaalsContact O-N 3.11Å; Y321-R323 PolarHBondContact O-N 2.81Å
322P72.5Confident69.4Low35 Ų3566.6 Ų66.623%0.22736%0.357CS..  trans-62.4133.3174.424-31.6000110.6K314 I324 K325K314-P322 HydrophobicContact CB-CB 3.72Å; K314-P322 HydrophobicContact CB-CG 3.82Å; K314-P322 HydrophobicContact CD-CB 3.66Å; K314-P322 HydrophobicContact CD-CG 4.43Å; K314-P322 HydrophobicContact CG-CB 4.3Å; P322-I324 VanDerWaalsContact C-N 3.28Å; P322-I324 PolarHBondContact O-N 2.87Å; P322-K325 HydrophobicContact CG-CB 4.23Å
323R84.1Confident69.8Low73 Ų7364.8 Ų64.828%0.27534%0.343SS..SBendtrans-56.8-39.6179-170.9178.563.373.8-2.2112.9Y321 F334 N335 P336 D341Y321-R323 PolarHBondContact O-N 2.81Å; R323-F334 CarbonylContact O-C 3.59Å; R323-F334 WeakPolarHBondContact O-CA 3.35Å; R323-N335 WeakPolarHBondContact CG-O 3.5Å; R323-N335 PolarHBondContact O-N 2.88Å; R323-P336 WeakPolarHBondContact CD-O 2.91Å; R323-P336 VanDerWaalsContact CG-O 3.31Å; R323-P336 WeakPolarHBondContact CG-O 3.47Å; R323-P336 PolarHBondContact NH1-O 2.99Å; R323-P336 VanDerWaalsContact NH1-O 3.08Å; R323-D341 IonicContact CZ-OD1 3.39Å; R323-D341 VanDerWaalsContact CZ-OD1 3.32Å; R323-D341 IonicContact CZ-OD2 3.32Å; R323-D341 IonicContact NH1-OD1 3.82Å; R323-D341 PolarHBondContact NH1-OD1 3.38Å; R323-D341 IonicContact NH1-OD2 3.04Å; R323-D341 PolarHBondContact NH1-OD2 2.99Å; R323-D341 IonicContact NH2-OD1 3.61Å; R323-D341 PolarHBondContact NH2-OD1 3.25Å; R323-D341 IonicContact NH2-OD2 2.71Å
324I86.1Confident70.6Confident15 Ų1559 Ų598%0.07732%0.316CS..EExtended strand (participates in β ladder)trans-113.2115.7175.4-53.8175.3000108K314 P322 L332 V333 F334K314-I324 WeakPolarHBondContact CD-O 3.01Å; K314-I324 PolarHBondContact NZ-O 3.42Å; P322-I324 VanDerWaalsContact C-N 3.28Å; P322-I324 PolarHBondContact O-N 2.87Å; I324-L332 HydrophobicContact CG2-CD1 3.71Å; I324-L332 HydrophobicContact CG2-CG 4.37Å; I324-V333 WeakPolarHBondContact CA-O 3.5Å; I324-F334 HydrophobicContact CD1-CD1 3.87Å; I324-F334 HydrophobicContact CD1-CE1 3.87Å; I324-F334 HydrophobicContact CG1-CD1 3.7Å; I324-F334 HydrophobicContact CG1-CE1 4.12Å; I324-F334 HydrophobicContact CG2-CD1 4.26Å; I324-F334 HydrophobicContact CG2-CE1 4.13Å
325K85.1Confident71.8Confident95 Ų9559.5 Ų59.541%0.41332%0.323SS..EExtended strand (participates in β ladder)trans-136153.3-177.767.8-177.8-178.2178.40111.2P322 V333P322-K325 HydrophobicContact CG-CB 4.23Å; K325-V333 HydrophobicContact CG-CB 4.16Å; K325-V333 PolarHBondContact N-O 2.95Å; K325-V333 PolarHBondContact O-N 3.02Å
326I86.3Confident73.2Confident9 Ų958.3 Ų58.35%0.04632%0.316CS..EExtended strand (participates in β ladder)trans-95.1118.2166.8-51.9169.3000106.9W302 I309 R311 H331 L332W302-I326 HydrophobicContact CB-CD1 4.15Å; W302-I326 HydrophobicContact CG-CD1 4.46Å; I309-I326 HydrophobicContact CB-CD1 4.49Å; I309-I326 HydrophobicContact CG2-CD1 4.19Å; I309-I326 HydrophobicContact CG2-CG1 4.32Å; R311-I326 HydrophobicContact CG-CB 4.01Å; R311-I326 HydrophobicContact CG-CD1 4.17Å; I326-H331 CarbonylContact C-O 3.51Å; I326-H331 VanDerWaalsContact CA-O 3.3Å; I326-H331 WeakPolarHBondContact CA-O 3.3Å; I326-L332 HydrophobicContact CG1-CD1 4.03Å
327D81.3Confident75.1Confident25 Ų2555 Ų5513%0.13429%0.293CS..  trans-73.3175.6-17975.36.3000112.2R311 G329 H330 H331 V333R311-D327 PolarHBondContact NH1-O 2.75Å; R311-D327 PolarHBondContact NH2-O 3.5Å; D327-G329 PolarHBondContact O-N 3.03Å; D327-G329 VanDerWaalsContact OD1-CA 3.23Å; D327-G329 WeakPolarHBondContact OD1-CA 3.36Å; D327-G329 PolarHBondContact OD1-N 3.08Å; D327-H330 PolarHBondContact O-N 3.41Å; D327-H330 VanDerWaalsContact O-N 3.12Å; D327-H330 PolarHBondContact OD1-N 3.4Å; D327-H331 PolarHBondContact N-O 3.03Å; D327-H331 IonicContact OD1-CG 2.63Å; D327-H331 PolarHBondContact OD1-N 2.88Å; D327-H331 IonicContact OD1-ND1 2.81Å; D327-H331 PolarHBondContact OD1-ND1 2.94Å; D327-H331 IonicContact OD2-CG 3.12Å; D327-H331 IonicContact OD2-ND1 3.2Å; D327-H331 PolarHBondContact OD2-ND1 2.87Å; D327-V333 HydrophobicContact CB-CG2 3.97Å
328T80.5Confident77.2Confident34 Ų3452.8 Ų52.821%0.20927%0.27CS..THydrogen-bonded Turntrans-64.5-2417535.10000113.5I45 A46 V234 H330I45-T328 HydrophobicContact CD1-CG2 3.66Å; I45-T328 HydrophobicContact CG1-CG2 4.07Å; A46-T328 WeakPolarHBondContact O-CB 3.08Å; A46-T328 PolarHBondContact O-OG1 3.46Å; V234-T328 HydrophobicContact CG2-CG2 3.98Å; T328-H330 VanDerWaalsContact C-N 3.26Å; T328-H330 PolarHBondContact O-N 2.97Å
329G78.7Confident78.8Confident14 Ų1452.7 Ų52.714%0.14426%0.26CS..THydrogen-bonded Turntrans-79.3-0.7171.200000115.2G47 D327 H331G47-G329 VanDerWaalsContact O-CA 3.27Å; G47-G329 WeakPolarHBondContact O-CA 3.12Å; D327-G329 PolarHBondContact O-N 3.03Å; D327-G329 VanDerWaalsContact OD1-CA 3.23Å; D327-G329 WeakPolarHBondContact OD1-CA 3.36Å; D327-G329 PolarHBondContact OD1-N 3.08Å; G329-H331 VanDerWaalsContact C-N 3.28Å
330H85.6Confident80.4Confident25 Ų2554.6 Ų54.612%0.11626%0.264CS..SBendtrans70.117-174.9-45.7-87.7000115.8M298 V300 W302 R311 D327 T328M298-H330 PolarHBondContact O-CD2 3.49Å; M298-H330 PolarHBondContact O-NE2 2.04Å; V300-H330 HydrophobicContact CB-CB 3.68Å; V300-H330 HydrophobicContact CG2-CB 3.62Å; W302-H330 PolarHBondContact NE1-O 3.32Å; R311-H330 PolarHBondContact NH2-ND1 3.01Å; D327-H330 PolarHBondContact O-N 3.41Å; D327-H330 VanDerWaalsContact O-N 3.12Å; D327-H330 PolarHBondContact OD1-N 3.4Å; T328-H330 VanDerWaalsContact C-N 3.26Å; T328-H330 PolarHBondContact O-N 2.97Å
331H85.1Confident82Confident27 Ų2747.4 Ų47.413%0.12523%0.233CC..  trans-83.7147.6171-43.599.7000111.4G47 T288 L289 I326 D327 G329 V333G47-H331 PolarHBondContact O-CE1 3.37Å; T288-H331 HydrophobicContact CG2-CB 3.37Å; L289-H331 WeakPolarHBondContact O-CA 3.41Å; L289-H331 WeakPolarHBondContact O-CB 3.5Å; I326-H331 CarbonylContact C-O 3.51Å; I326-H331 VanDerWaalsContact CA-O 3.3Å; I326-H331 WeakPolarHBondContact CA-O 3.3Å; D327-H331 PolarHBondContact N-O 3.03Å; D327-H331 IonicContact OD1-CG 2.63Å; D327-H331 PolarHBondContact OD1-N 2.88Å; D327-H331 IonicContact OD1-ND1 2.81Å; D327-H331 PolarHBondContact OD1-ND1 2.94Å; D327-H331 IonicContact OD2-CG 3.12Å; D327-H331 IonicContact OD2-ND1 3.2Å; D327-H331 PolarHBondContact OD2-ND1 2.87Å; G329-H331 VanDerWaalsContact C-N 3.28Å; H331-V333 HydrophobicContact CB-CG2 4.44Å
332L87.1Confident83Confident0 Ų040.2 Ų40.20%021%0.211CC..EExtended strand (participates in β ladder)trans-89.3112.2171.5-176.766.4000109T288 L289 W302 I309 I324 I326 F334 Y345T288-L332 CarbonylContact C-O 3.47Å; T288-L332 WeakPolarHBondContact CA-O 3.18Å; L289-L332 HydrophobicContact CB-CB 4.28Å; L289-L332 HydrophobicContact CD1-CD2 4.42Å; L289-L332 PolarHBondContact N-O 3.23Å; L289-L332 PolarHBondContact O-N 2.88Å; W302-L332 HydrophobicContact CB-CD1 4.46Å; W302-L332 HydrophobicContact CB-CD2 4.45Å; W302-L332 HydrophobicContact CD2-CB 3.79Å; W302-L332 HydrophobicContact CD2-CD2 4.17Å; W302-L332 HydrophobicContact CE3-CB 4.27Å; W302-L332 HydrophobicContact CE3-CD2 4.03Å; W302-L332 HydrophobicContact CG-CB 4.02Å; W302-L332 HydrophobicContact CG-CD1 4.48Å; W302-L332 HydrophobicContact CG-CD2 4.37Å; W302-L332 HydrophobicContact CZ2-CB 4.21Å; I309-L332 HydrophobicContact CD1-CD1 3.98Å; I309-L332 HydrophobicContact CD1-CD2 4.13Å; I324-L332 HydrophobicContact CG2-CD1 3.71Å; I324-L332 HydrophobicContact CG2-CG 4.37Å; I326-L332 HydrophobicContact CG1-CD1 4.03Å; L332-F334 HydrophobicContact CD2-CE2 3.95Å; L332-F334 HydrophobicContact CD2-CZ 3.68Å; L332-F334 HydrophobicContact CG-CE2 3.88Å; L332-F334 HydrophobicContact CG-CZ 3.98Å; L332-Y345 HydrophobicContact CD2-CD1 3.6Å; L332-Y345 HydrophobicContact CD2-CE1 3.8Å; L332-Y345 HydrophobicContact CD2-CG 4.43Å
333V85.3Confident83.8Confident12 Ų1239.9 Ų39.97%0.07321%0.214CC..EExtended strand (participates in β ladder)trans-108.5127.4-174-176.20000110.1V286 V287 T288 I324 K325 D327 H331V286-V333 HydrophobicContact CG1-CG1 3.73Å; V287-V333 CarbonylContact O-C 3.46Å; V287-V333 WeakPolarHBondContact O-CA 3.32Å; T288-V333 HydrophobicContact CG2-CG2 4.07Å; I324-V333 WeakPolarHBondContact CA-O 3.5Å; K325-V333 HydrophobicContact CG-CB 4.16Å; K325-V333 PolarHBondContact N-O 2.95Å; K325-V333 PolarHBondContact O-N 3.02Å; D327-V333 HydrophobicContact CB-CG2 3.97Å; H331-V333 HydrophobicContact CB-CG2 4.44Å
334F83.7Confident84Confident0 Ų038.6 Ų38.60%021%0.214CC..EExtended strand (participates in β ladder)trans-106.3122.4172.7-53.8-102.4000108.6V286 V287 L289 R323 I324 L332 A337 D341 Y345 L359V286-F334 VanDerWaalsContact CA-O 3.28Å; V286-F334 WeakPolarHBondContact CA-O 3.25Å; V287-F334 HydrophobicContact CB-CB 4.19Å; V287-F334 HydrophobicContact CB-CD2 4.09Å; V287-F334 HydrophobicContact CB-CG 4.48Å; V287-F334 HydrophobicContact CG1-CD2 4.2Å; V287-F334 PolarHBondContact N-O 2.79Å; V287-F334 WeakPolarHBondContact O-CD2 3.21Å; V287-F334 PolarHBondContact O-N 3.18Å; L289-F334 HydrophobicContact CD1-CE2 3.83Å; L289-F334 HydrophobicContact CD1-CZ 4.25Å; L289-F334 HydrophobicContact CG-CE2 4.04Å; R323-F334 CarbonylContact O-C 3.59Å; R323-F334 WeakPolarHBondContact O-CA 3.35Å; I324-F334 HydrophobicContact CD1-CD1 3.87Å; I324-F334 HydrophobicContact CD1-CE1 3.87Å; I324-F334 HydrophobicContact CG1-CD1 3.7Å; I324-F334 HydrophobicContact CG1-CE1 4.12Å; I324-F334 HydrophobicContact CG2-CD1 4.26Å; I324-F334 HydrophobicContact CG2-CE1 4.13Å; L332-F334 HydrophobicContact CD2-CE2 3.95Å; L332-F334 HydrophobicContact CD2-CZ 3.68Å; L332-F334 HydrophobicContact CG-CE2 3.88Å; L332-F334 HydrophobicContact CG-CZ 3.98Å; F334-A337 HydrophobicContact CB-CB 3.91Å; F334-D341 HydrophobicContact CD1-CB 3.96Å; F334-D341 HydrophobicContact CE1-CB 3.9Å; F334-Y345 HydrophobicContact CE1-CE1 4.34Å; F334-Y345 AromaticContact CE1-CZ 3.99Å; F334-Y345 WeakPolarHBondContact CE1-OH 3.3Å; F334-Y345 AromaticContact CZ-CE1 3.94Å; F334-Y345 HydrophobicContact CZ-CE1 3.94Å; F334-Y345 HydrophobicContact CZ-CE2 4.35Å; F334-Y345 AromaticContact CZ-CZ 3.74Å; F334-L359 HydrophobicContact CE1-CD2 4.16Å; F334-L359 HydrophobicContact CE2-CD2 4.01Å; F334-L359 HydrophobicContact CZ-CD2 3.73Å
335N82.4Confident84.3Confident89 Ų8937.9 Ų37.948%0.47621%0.21SC..THydrogen-bonded Turntrans-144.494.6-178.3-176.417.4000111.9V286 R323V286-N335 HydrophobicContact CG2-CB 4.26Å; R323-N335 WeakPolarHBondContact CG-O 3.5Å; R323-N335 PolarHBondContact O-N 2.88Å
336P80.1Confident84.6Confident42 Ų4235.7 Ų35.727%0.27320%0.2SC..THydrogen-bonded Turncis-80.9160.2-9.529.5-32.7000113.5R323R323-P336 WeakPolarHBondContact CD-O 2.91Å; R323-P336 VanDerWaalsContact CG-O 3.31Å; R323-P336 WeakPolarHBondContact CG-O 3.47Å; R323-P336 PolarHBondContact NH1-O 2.99Å; R323-P336 VanDerWaalsContact NH1-O 3.08Å
337A81.4Confident84.9Confident1 Ų135.3 Ų35.31%0.00820%0.197CC..  trans-74.2137.9166.800000111.8D284 G285 V287 F334 V361D284-A337 PolarHBondContact N-O 3.24Å; G285-A337 PolarHBondContact O-N 2.77Å; G285-A337 VanDerWaalsContact O-N 3.08Å; V287-A337 HydrophobicContact CB-CB 4.03Å; V287-A337 HydrophobicContact CG2-CB 3.41Å; V287-A337 VanDerWaalsContact CG2-CB 3.41Å; F334-A337 HydrophobicContact CB-CB 3.91Å; A337-V361 HydrophobicContact CB-CG1 4.3Å
338K84Confident85.4Confident90 Ų9035.1 Ų35.139%0.39120%0.195SC..  trans-120.6155.4179.8-65.3-173.7174.8-169.90110.5Q340 D341K338-Q340 PolarHBondContact O-N 3.48Å; K338-Q340 VanDerWaalsContact O-N 3.15Å; K338-D341 PolarHBondContact N-OD2 2.47Å; K338-D341 VanDerWaalsContact O-CB 3.28Å; K338-D341 WeakPolarHBondContact O-CB 3.31Å; K338-D341 PolarHBondContact O-N 2.89Å
339S80.3Confident85.9Confident58 Ų5834.9 Ų34.941%0.40619%0.192SC..G310 helixtrans-55-34.1175.3540000113.1D341 S342S339-D341 PolarHBondContact O-N 3.34Å; S339-S342 VanDerWaalsContact O-CB 3.27Å; S339-S342 WeakPolarHBondContact O-CB 3.35Å; S339-S342 PolarHBondContact O-N 3.07Å; S339-S342 PolarHBondContact O-OG 2.8Å
340Q84Confident86.3Confident158 Ų15838.7 Ų38.774%0.73821%0.206SC*.G310 helixtrans-66.3-16.6175.6-64.2168.8-0.300114.1K338 S342K338-Q340 PolarHBondContact O-N 3.48Å; K338-Q340 VanDerWaalsContact O-N 3.15Å; Q340-S342 PolarHBondContact O-N 2.91Å
341D85.1Confident86.5Confident4 Ų437.8 Ų37.82%0.02120%0.203CC..G310 helixtrans-78.5-8.1175.9-57.9-33.8000112.1R323 F334 K338 S339 G343 Y345R323-D341 IonicContact CZ-OD1 3.39Å; R323-D341 VanDerWaalsContact CZ-OD1 3.32Å; R323-D341 IonicContact CZ-OD2 3.32Å; R323-D341 IonicContact NH1-OD1 3.82Å; R323-D341 PolarHBondContact NH1-OD1 3.38Å; R323-D341 IonicContact NH1-OD2 3.04Å; R323-D341 PolarHBondContact NH1-OD2 2.99Å; R323-D341 IonicContact NH2-OD1 3.61Å; R323-D341 PolarHBondContact NH2-OD1 3.25Å; R323-D341 IonicContact NH2-OD2 2.71Å; F334-D341 HydrophobicContact CD1-CB 3.96Å; F334-D341 HydrophobicContact CE1-CB 3.9Å; K338-D341 PolarHBondContact N-OD2 2.47Å; K338-D341 VanDerWaalsContact O-CB 3.28Å; K338-D341 WeakPolarHBondContact O-CB 3.31Å; K338-D341 PolarHBondContact O-N 2.89Å; S339-D341 PolarHBondContact O-N 3.34Å; D341-G343 PolarHBondContact O-N 2.85Å; D341-Y345 WeakPolarHBondContact O-CE2 3.47Å; D341-Y345 PolarHBondContact O-OH 3.2Å
342S85.6Confident86.6Confident39 Ų3942.2 Ų42.227%0.27322%0.219SC..  trans-59133.9174.9-58.50000110.6S339 Q340 L359 V361S339-S342 VanDerWaalsContact O-CB 3.27Å; S339-S342 WeakPolarHBondContact O-CB 3.35Å; S339-S342 PolarHBondContact O-N 3.07Å; S339-S342 PolarHBondContact O-OG 2.8Å; Q340-S342 PolarHBondContact O-N 2.91Å; S342-L359 CarbonylContact C-O 3.57Å; S342-L359 VanDerWaalsContact CA-O 3.32Å; S342-L359 WeakPolarHBondContact CA-O 3.22Å; S342-V361 PolarHBondContact OG-N 3.44Å; S342-V361 PolarHBondContact OG-O 3.11Å
343G87.7Confident86.6Confident28 Ų2847.6 Ų47.629%0.28924%0.239SC..EExtended strand (participates in β ladder)trans163.4-170.5-177.300000113.7D341 L359D341-G343 PolarHBondContact O-N 2.85Å; G343-L359 PolarHBondContact N-O 2.92Å; G343-L359 PolarHBondContact O-N 3.11Å
344V89.6Confident86.7Confident46 Ų4648.3 Ų48.328%0.27925%0.246SC..EExtended strand (participates in β ladder)trans-98124178.8-176.80000109.2G305 Y346 Q356 R358G305-V344 PolarHBondContact N-O 3.14Å; V344-Y346 HydrophobicContact CG1-CD2 4.43Å; V344-Y346 HydrophobicContact CG1-CE1 4.31Å; V344-Y346 HydrophobicContact CG1-CE2 3.8Å; V344-Q356 HydrophobicContact CG1-CG 3.56Å; V344-R358 HydrophobicContact CG2-CG 4.34Å
345Y91.2Very high86.8Confident0 Ų048.3 Ų48.30%025%0.246CC..EExtended strand (participates in β ladder)trans-111.7139.7174.2-65.7-91.9000109.9L289 D303 Q304 I309 L332 F334 D341 Q356 I357 L359L289-Y345 HydrophobicContact CD1-CD2 4.46Å; D303-Y345 CarbonylContact O-C 3.49Å; D303-Y345 WeakPolarHBondContact O-CA 3.4Å; Q304-Y345 HydrophobicContact CB-CD1 4.16Å; Q304-Y345 HydrophobicContact CB-CE1 3.89Å; Q304-Y345 HydrophobicContact CG-CD1 4.35Å; Q304-Y345 HydrophobicContact CG-CE1 3.79Å; Q304-Y345 PolarHBondContact NE2-OH 3.15Å; I309-Y345 HydrophobicContact CD1-CD1 4.49Å; I309-Y345 HydrophobicContact CD1-CE1 4.32Å; L332-Y345 HydrophobicContact CD2-CD1 3.6Å; L332-Y345 HydrophobicContact CD2-CE1 3.8Å; L332-Y345 HydrophobicContact CD2-CG 4.43Å; F334-Y345 HydrophobicContact CE1-CE1 4.34Å; F334-Y345 AromaticContact CE1-CZ 3.99Å; F334-Y345 WeakPolarHBondContact CE1-OH 3.3Å; F334-Y345 AromaticContact CZ-CE1 3.94Å; F334-Y345 HydrophobicContact CZ-CE1 3.94Å; F334-Y345 HydrophobicContact CZ-CE2 4.35Å; F334-Y345 AromaticContact CZ-CZ 3.74Å; D341-Y345 WeakPolarHBondContact O-CE2 3.47Å; D341-Y345 PolarHBondContact O-OH 3.2Å; Y345-Q356 CarbonylContact O-C 3.57Å; Y345-I357 PolarHBondContact N-O 3.18Å; Y345-I357 PolarHBondContact O-N 2.8Å; Y345-L359 HydrophobicContact CD2-CB 3.85Å; Y345-L359 HydrophobicContact CD2-CD2 4.48Å; Y345-L359 HydrophobicContact CE2-CB 3.76Å; Y345-L359 HydrophobicContact CE2-CD2 3.8Å; Y345-L359 HydrophobicContact CE2-CG 4.41Å
346Y92Very high87.1Confident49 Ų4945.1 Ų45.119%0.19223%0.228CC..EExtended strand (participates in β ladder)trans-113134.1171.7-62.7-80.4000109.2W302 D303 G305 V344 R353 A355 Q356W302-Y346 CarbonylContact C-O 3.56Å; W302-Y346 WeakPolarHBondContact CA-O 3.07Å; D303-Y346 PolarHBondContact N-O 2.92Å; D303-Y346 PolarHBondContact O-N 2.94Å; G305-Y346 VanDerWaalsContact O-CD2 3.31Å; G305-Y346 WeakPolarHBondContact O-CD2 3.38Å; G305-Y346 WeakPolarHBondContact O-CE2 3.32Å; V344-Y346 HydrophobicContact CG1-CD2 4.43Å; V344-Y346 HydrophobicContact CG1-CE1 4.31Å; V344-Y346 HydrophobicContact CG1-CE2 3.8Å; Y346-R353 HydrophobicContact CD1-CG 4.38Å; Y346-A355 WeakPolarHBondContact CA-O 3.16Å; Y346-Q356 HydrophobicContact CD1-CB 3.92Å; Y346-Q356 HydrophobicContact CD1-CG 4.05Å; Y346-Q356 HydrophobicContact CE1-CB 3.74Å; Y346-Q356 HydrophobicContact CE1-CG 3.55Å; Y346-Q356 PolarHBondContact OH-NE2 2.85Å
347C91.6Very high87.2Confident0 Ų043.3 Ų43.30%022%0.217CC..EExtended strand (participates in β ladder)trans-106142.9170.973.30000111.3C291 V300 G301 W302 A354 A355C291-C347 HydrophobicContact CB-CB 3.52Å; C291-C347 WeakPolarHBondContact CB-SG 3.48Å; C291-C347 WeakPolarHBondContact SG-CB 3.29Å; C291-C347 CovalentContact SG-SG 2.04Å; C291-C347 PolarHBondContact SG-SG 3.43Å; V300-C347 HydrophobicContact CG1-CB 4.15Å; G301-C347 CarbonylContact O-C 3.5Å; G301-C347 WeakPolarHBondContact O-CA 3.34Å; W302-C347 HydrophobicContact CD2-CB 4.21Å; W302-C347 HydrophobicContact CE3-CB 3.89Å; W302-C347 HydrophobicContact CH2-CB 3.9Å; W302-C347 HydrophobicContact CZ2-CB 4.2Å; W302-C347 HydrophobicContact CZ3-CB 3.73Å; C347-A354 PolarHBondContact O-N 2.85Å; C347-A355 PolarHBondContact N-O 3.3Å; C347-A355 VanDerWaalsContact N-O 3.07Å
348W92.4Very high87.4Confident22 Ų2249 Ų498%0.08324%0.238CC..EExtended strand (participates in β ladder)trans-110.6129.3176.8-64.877000109.3D181 R182 V300 G301 D303 G351 R352 R353D181-W348 VanDerWaalsContact O-CB 3.27Å; D181-W348 WeakPolarHBondContact O-CB 3.05Å; R182-W348 HydrophobicContact CB-CE3 4.45Å; R182-W348 HydrophobicContact CG-CD2 3.97Å; R182-W348 HydrophobicContact CG-CE3 4.39Å; R182-W348 HydrophobicContact CG-CG 4.03Å; V300-W348 WeakPolarHBondContact CA-O 3.44Å; V300-W348 WeakPolarHBondContact CG1-O 3.38Å; G301-W348 PolarHBondContact N-O 2.6Å; G301-W348 PolarHBondContact O-N 3.25Å; D303-W348 PolarHBondContact OD2-NE1 3.31Å; W348-G351 WeakPolarHBondContact CZ3-O 3.5Å; W348-R352 CarbonylContact C-O 3.57Å; W348-R352 WeakPolarHBondContact CA-O 3.36Å; W348-R352 VanDerWaalsContact CE3-C 3.47Å; W348-R353 HydrophobicContact CD2-CB 4.32Å; W348-R353 HydrophobicContact CE3-CB 4.32Å; W348-R353 VanDerWaalsContact CE3-N 3.33Å; W348-R353 HydrophobicContact CZ3-CB 4.43Å
349L90.3Very high87.5Confident28 Ų2844.9 Ų44.915%0.14722%0.22CC..EExtended strand (participates in β ladder)trans-109.8118.8171.9-65.8-179.5000109.2C291 A294 V300 G351 R352 A354C291-L349 HydrophobicContact CB-CD2 4.13Å; C291-L349 WeakPolarHBondContact SG-CD2 3.34Å; C291-L349 VanDerWaalsContact SG-CG 3.59Å; A294-L349 HydrophobicContact CB-CD2 3.78Å; V300-L349 HydrophobicContact CB-CD2 4.45Å; V300-L349 HydrophobicContact CG1-CD2 4.24Å; V300-L349 HydrophobicContact CG2-CD2 3.73Å; L349-G351 PolarHBondContact O-N 3.28Å; L349-R352 PolarHBondContact N-O 3.29Å; L349-R352 PolarHBondContact O-N 2.75Å; L349-A354 HydrophobicContact CB-CB 3.96Å; L349-A354 HydrophobicContact CD1-CB 3.58Å; L349-A354 HydrophobicContact CG-CB 3.51Å
350Q88.8Confident87.5Confident95 Ų9545.9 Ų45.944%0.44422%0.221SC..THydrogen-bonded Turntrans48.543.8178.3-62-1562.300113.9V179 M298 V299V179-Q350 HydrophobicContact CG2-CB 3.83Å; V179-Q350 HydrophobicContact CG2-CG 3.95Å; M298-Q350 HydrophobicContact CB-CG 4.3Å; M298-Q350 HydrophobicContact CG-CG 4.34Å; V299-Q350 PolarHBondContact O-N 3.33Å; V299-Q350 VanDerWaalsContact O-N 3.14Å
351G88.1Confident87.3Confident5 Ų538.6 Ų38.65%0.05219%0.187CC..BIsolated β-bridgetrans86.1-0.7178.800000115.1C180 D181 C183 W348 L349C180-G351 PolarHBondContact O-N 3.18Å; D181-G351 VanDerWaalsContact O-CA 3.24Å; D181-G351 WeakPolarHBondContact O-CA 3.39Å; D181-G351 PolarHBondContact O-N 3.06Å; D181-G351 VanDerWaalsContact O-N 3.12Å; C183-G351 WeakPolarHBondContact CB-O 3.24Å; C183-G351 PolarHBondContact N-O 3.38Å; C183-G351 PolarHBondContact SG-O 2.9Å; W348-G351 WeakPolarHBondContact CZ3-O 3.5Å; L349-G351 PolarHBondContact O-N 3.28Å
352R87.7Confident86.7Confident120 Ų12044.1 Ų44.145%0.45321%0.208SC..EExtended strand (participates in β ladder)trans-115.5138.5176.8-61.8-175.7-178.5-162.3-3.2111.7P244 W348 L349 A354P244-R352 HydrophobicContact CG-CG 4.42Å; W348-R352 CarbonylContact C-O 3.57Å; W348-R352 WeakPolarHBondContact CA-O 3.36Å; W348-R352 VanDerWaalsContact CE3-C 3.47Å; L349-R352 PolarHBondContact N-O 3.29Å; L349-R352 PolarHBondContact O-N 2.75Å; R352-A354 PolarHBondContact O-N 3.27Å
353R87.5Confident85.7Confident114 Ų11445.3 Ų45.343%0.4322%0.221SC..EExtended strand (participates in β ladder)trans-64.8123.7173-164.8179.1-68.6165.4-1.3108.9V273 Y346 W348V273-R353 HydrophobicContact CG1-CB 4.28Å; V273-R353 HydrophobicContact CG1-CG 4.07Å; V273-R353 VanDerWaalsContact CG1-O 3.3Å; V273-R353 WeakPolarHBondContact CG1-O 3.36Å; Y346-R353 HydrophobicContact CD1-CG 4.38Å; W348-R353 HydrophobicContact CD2-CB 4.32Å; W348-R353 HydrophobicContact CE3-CB 4.32Å; W348-R353 VanDerWaalsContact CE3-N 3.33Å; W348-R353 HydrophobicContact CZ3-CB 4.43Å
354A86.4Confident84.2Confident26 Ų2649.9 Ų49.922%0.21523%0.234CC..EExtended strand (participates in β ladder)trans-112.1-37.7-169.500000113.3P274 C347 L349 R352P274-A354 WeakPolarHBondContact CD-O 3.37Å; P274-A354 WeakPolarHBondContact CG-O 3.38Å; C347-A354 PolarHBondContact O-N 2.85Å; L349-A354 HydrophobicContact CB-CB 3.96Å; L349-A354 HydrophobicContact CD1-CB 3.58Å; L349-A354 HydrophobicContact CG-CB 3.51Å; R352-A354 PolarHBondContact O-N 3.27Å
355A86Confident82.4Confident0 Ų052.8 Ų52.80%025%0.247CC..EExtended strand (participates in β ladder)trans-150.6154.9-179.700000112P274 Y276 P292 Y346 C347P274-A355 WeakPolarHBondContact O-CA 3.21Å; Y276-A355 HydrophobicContact CD2-CB 4Å; Y276-A355 HydrophobicContact CE2-CB 3.91Å; P292-A355 HydrophobicContact CG-CB 4.09Å; Y346-A355 WeakPolarHBondContact CA-O 3.16Å; C347-A355 PolarHBondContact N-O 3.3Å; C347-A355 VanDerWaalsContact N-O 3.07Å
356Q88.5Confident80.3Confident22 Ų2254.1 Ų54.110%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-107.1128.3166.1-178.4-179.312.500108.4V273 P274 A275 Y276 V344 Y345 Y346V273-Q356 HydrophobicContact CG2-CB 3.95Å; P274-Q356 PolarHBondContact O-N 2.91Å; A275-Q356 CarbonylContact C-O 3.42Å; A275-Q356 VanDerWaalsContact CA-O 3.28Å; A275-Q356 WeakPolarHBondContact CA-O 3.06Å; A275-Q356 HydrophobicContact CB-CB 4.48Å; Y276-Q356 PolarHBondContact N-O 3.03Å; V344-Q356 HydrophobicContact CG1-CG 3.56Å; Y345-Q356 CarbonylContact O-C 3.57Å; Y346-Q356 HydrophobicContact CD1-CB 3.92Å; Y346-Q356 HydrophobicContact CD1-CG 4.05Å; Y346-Q356 HydrophobicContact CE1-CB 3.74Å; Y346-Q356 HydrophobicContact CE1-CG 3.55Å; Y346-Q356 PolarHBondContact OH-NE2 2.85Å
357I84.1Confident78.1Confident5 Ų561.6 Ų61.63%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-120.6120.2-179.7-52.6-177.4000108.2Y276 H278 W302 Y345Y276-I357 CarbonylContact O-C 3.58Å; Y276-I357 WeakPolarHBondContact O-CA 3.28Å; H278-I357 HydrophobicContact CB-CG2 4.1Å; W302-I357 HydrophobicContact CH2-CD1 3.74Å; W302-I357 HydrophobicContact CZ3-CD1 3.82Å; Y345-I357 PolarHBondContact N-O 3.18Å; Y345-I357 PolarHBondContact O-N 2.8Å
358R85.5Confident76Confident119 Ų11969.2 Ų69.245%0.44934%0.336SS..EExtended strand (participates in β ladder)trans-93.5105.4172.8-65.4-177.4-178.6-172.84.8108.1Y276 F277 H278 V344Y276-R358 PolarHBondContact O-N 3.46Å; F277-R358 HydrophobicContact CD1-CB 3.95Å; F277-R358 HydrophobicContact CE1-CB 4.17Å; F277-R358 VanDerWaalsContact CE1-CD 3.41Å; F277-R358 HydrophobicContact CE1-CG 4.36Å; H278-R358 PolarHBondContact N-O 3.39Å; V344-R358 HydrophobicContact CG2-CG 4.34Å
359L84.3Confident73.7Confident5 Ų574.1 Ų74.13%0.02636%0.36CS..EExtended strand (participates in β ladder)trans-91128.5176.5177.769000108.9C280 V287 L289 F334 S342 G343 Y345 V361C280-L359 HydrophobicContact CB-CD1 4.26Å; V287-L359 HydrophobicContact CG1-CD1 4.41Å; L289-L359 HydrophobicContact CD1-CB 4.49Å; L289-L359 HydrophobicContact CD1-CD2 4.29Å; L289-L359 HydrophobicContact CD2-CD1 4.29Å; F334-L359 HydrophobicContact CE1-CD2 4.16Å; F334-L359 HydrophobicContact CE2-CD2 4.01Å; F334-L359 HydrophobicContact CZ-CD2 3.73Å; S342-L359 CarbonylContact C-O 3.57Å; S342-L359 VanDerWaalsContact CA-O 3.32Å; S342-L359 WeakPolarHBondContact CA-O 3.22Å; G343-L359 PolarHBondContact N-O 2.92Å; G343-L359 PolarHBondContact O-N 3.11Å; Y345-L359 HydrophobicContact CD2-CB 3.85Å; Y345-L359 HydrophobicContact CD2-CD2 4.48Å; Y345-L359 HydrophobicContact CE2-CB 3.76Å; Y345-L359 HydrophobicContact CE2-CD2 3.8Å; Y345-L359 HydrophobicContact CE2-CG 4.41Å; L359-V361 HydrophobicContact CD1-CG2 4.22Å; L359-V361 HydrophobicContact CD2-CG2 3.94Å; L359-V361 HydrophobicContact CG-CG2 3.89Å
360L82.1Confident71.7Confident79 Ų7977 Ų7741%0.41438%0.378SS..EExtended strand (participates in β ladder)trans-123.8116.7173.6-172.861.7000108.9H278 C280 Y362H278-L360 PolarHBondContact O-N 2.87Å; C280-L360 WeakPolarHBondContact CB-O 3.47Å; C280-L360 PolarHBondContact N-O 2.79Å; L360-Y362 HydrophobicContact CD2-CE1 3.86Å; L360-Y362 HydrophobicContact CD2-CE2 3.88Å; L360-Y362 WeakPolarHBondContact CD2-OH 3.44Å; L360-Y362 HydrophobicContact CG-CE1 4.14Å; L360-Y362 HydrophobicContact CG-CE2 3.97Å
361V79.9Confident69.8Low5 Ų576.6 Ų76.63%0.0338%0.384CS..EExtended strand (participates in β ladder)trans-110.4113.3179.8-174.50000108.4C280 T283 A337 S342 L359C280-V361 HydrophobicContact CB-CG2 4.32Å; T283-V361 HydrophobicContact CG2-CG1 4.03Å; A337-V361 HydrophobicContact CB-CG1 4.3Å; S342-V361 PolarHBondContact OG-N 3.44Å; S342-V361 PolarHBondContact OG-O 3.11Å; L359-V361 HydrophobicContact CD1-CG2 4.22Å; L359-V361 HydrophobicContact CD2-CG2 3.94Å; L359-V361 HydrophobicContact CG-CG2 3.89Å
362Y72.6Confident67.9Low119 Ų11985.5 Ų85.547%0.46742%0.417SS..  trans-87.8135.8179-62.6-81.2000111.4C280 T283 L360 H364C280-Y362 WeakPolarHBondContact O-CD2 3.3Å; C280-Y362 PolarHBondContact O-N 2.93Å; T283-Y362 VanDerWaalsContact CG2-O 3.31Å; T283-Y362 WeakPolarHBondContact CG2-O 3.41Å; L360-Y362 HydrophobicContact CD2-CE1 3.86Å; L360-Y362 HydrophobicContact CD2-CE2 3.88Å; L360-Y362 WeakPolarHBondContact CD2-OH 3.44Å; L360-Y362 HydrophobicContact CG-CE1 4.14Å; L360-Y362 HydrophobicContact CG-CE2 3.97Å; Y362-H364 PolarHBondContact O-N 2.84Å
363A63.4Low65.9Low65 Ų6583.1 Ų83.154%0.53742%0.423SS..  trans-64.7126.3170.100000110.4L365A363-L365 PolarHBondContact O-N 2.9Å
364H57.2Low64.1Low123 Ų12382.5 Ų82.557%0.56942%0.424SS*.  trans-69.499.7173.9-174.6-80.7000109.1T283 Y362 G366T283-H364 WeakPolarHBondContact OG1-CB 3.42Å; T283-H364 PolarHBondContact OG1-N 3Å; Y362-H364 PolarHBondContact O-N 2.84Å; H364-G366 PolarHBondContact O-N 2.89Å
365L52.1Low62.7Low107 Ų10785.8 Ų85.856%0.5644%0.443SS*.  trans-67.8109.9160.6-77.1144.5000106.5A363A363-L365 PolarHBondContact O-N 2.9Å
366G45Very low61.4Low29 Ų2990.8 Ų90.830%0.29947%0.47SS..  trans-49149.1-179.500000112.3H364 D368 Q369H364-G366 PolarHBondContact O-N 2.89Å; G366-D368 PolarHBondContact O-N 2.9Å; G366-Q369 PolarHBondContact O-N 3.04Å
367K47Very low60.2Low206 Ų20693.5 Ų93.590%0.89648%0.481SS*.THydrogen-bonded Turntrans-56.9-10.1175.6-157.3171.8-178.4178.90113.6
368D46.7Very low59.4Low160 Ų16097.5 Ų97.586%0.85651%0.506SS*.THydrogen-bonded Turntrans-107.93.5177.1-59.6-33000114.4G366G366-D368 PolarHBondContact O-N 2.9Å
369Q45.3Very low58.5Low124 Ų12497.8 Ų97.858%0.57951%0.513SS*.  trans-111.794.1167.5-73.5-173-1.900108.5G366G366-Q369 PolarHBondContact O-N 3.04Å
370T48.5Very low58Low88 Ų88100.8 Ų100.854%0.5453%0.534SS..  trans-52.9141.7164.849.80000108.5W372 A373T370-W372 PolarHBondContact O-N 2.76Å; T370-A373 PolarHBondContact O-N 3.1Å
371P48.7Very low57.7Low88 Ų88100.5 Ų100.557%0.57153%0.532SS*.G310 helixtrans-58-3.2176.517.9-28.1000114.2F377P371-F377 WeakPolarHBondContact O-CG 3.27Å
372W47Very low57.6Low192 Ų192108.8 Ų108.873%0.72756%0.562SS**G310 helixtrans-82.9-14.4179.6-6054.9000112.9T370 F377T370-W372 PolarHBondContact O-N 2.76Å; W372-F377 HydrophobicContact CG-CE1 4.47Å
373A45.7Very low58Low70 Ų70106.5 Ų106.558%0.57956%0.561SS**G310 helixtrans-92.3-2.9-177.600000114T370T370-A373 PolarHBondContact O-N 3.1Å
374H50.3Low59Low101 Ų101108.9 Ų108.947%0.46856%0.564SS.*SBendtrans-77.7127.2176-139.1-78.4000109.5D376 F377H374-D376 IonicContact CE1-OD2 2.77Å; H374-D376 IonicContact ND1-OD2 3.48Å; H374-D376 PolarHBondContact ND1-OD2 2.79Å; H374-D376 PolarHBondContact O-N 3.3Å; H374-D376 VanDerWaalsContact O-N 3.15Å; H374-F377 HydrophobicContact CB-CB 4.34Å; H374-F377 WeakPolarHBondContact O-CB 2.83Å; H374-F377 PolarHBondContact O-N 2.85Å
375P57.2Low60.2Low94 Ų94109.2 Ų109.261%0.6156%0.564SS**Hα-helixtrans-57.2-32.9-178.519.5-30.4000112.7F377 E379P375-F377 VanDerWaalsContact C-N 3.32Å; P375-F377 PolarHBondContact O-N 2.89Å; P375-E379 PolarHBondContact O-N 2.8Å
376D59.4Low61.7Low105 Ų105108 Ų10856%0.56156%0.561SS**Hα-helixtrans-70.3-23.5177.9-57-41.8000113.9H374 S380H374-D376 IonicContact CE1-OD2 2.77Å; H374-D376 IonicContact ND1-OD2 3.48Å; H374-D376 PolarHBondContact ND1-OD2 2.79Å; H374-D376 PolarHBondContact O-N 3.3Å; H374-D376 VanDerWaalsContact O-N 3.15Å; D376-S380 VanDerWaalsContact O-CB 3.28Å; D376-S380 WeakPolarHBondContact O-CB 3.07Å; D376-S380 PolarHBondContact O-N 3.28Å; D376-S380 PolarHBondContact O-OG 2.94Å
377F63Low63.7Low79 Ų79114.2 Ų114.235%0.34658%0.577SS.*Hα-helixtrans-72.9-40.3179-175.7-101.7000111.1P371 W372 H374 P375 S380 M381P371-F377 WeakPolarHBondContact O-CG 3.27Å; W372-F377 HydrophobicContact CG-CE1 4.47Å; H374-F377 HydrophobicContact CB-CB 4.34Å; H374-F377 WeakPolarHBondContact O-CB 2.83Å; H374-F377 PolarHBondContact O-N 2.85Å; P375-F377 VanDerWaalsContact C-N 3.32Å; P375-F377 PolarHBondContact O-N 2.89Å; F377-S380 PolarHBondContact O-N 2.94Å; F377-M381 HydrophobicContact CD1-CG 4.07Å; F377-M381 HydrophobicContact CD2-CG 4.44Å; F377-M381 HydrophobicContact CE1-CG 3.69Å; F377-M381 HydrophobicContact CE2-CG 4.09Å; F377-M381 HydrophobicContact CE2-SD 4.44Å; F377-M381 HydrophobicContact CG-CG 4.44Å; F377-M381 HydrophobicContact CZ-CG 3.69Å; F377-M381 HydrophobicContact CZ-SD 4.05Å; F377-M381 WeakPolarHBondContact O-CB 3.34Å; F377-M381 VanDerWaalsContact O-CG 3.31Å; F377-M381 WeakPolarHBondContact O-CG 3.46Å; F377-M381 PolarHBondContact O-N 3.11Å
378T66Low65.5Low89 Ų89112 Ų11255%0.54656%0.564SS.*Hα-helixtrans-64.7-42.3177.3-42.90000111.2R382T378-R382 VanDerWaalsContact O-CB 3.3Å; T378-R382 WeakPolarHBondContact O-CB 3.44Å; T378-R382 PolarHBondContact O-N 2.65Å
379E67Low67.4Low125 Ų125108.4 Ų108.458%0.58455%0.547SS*.Hα-helixtrans-63.4-46.1176-149.377.1-159.100110.7P375 R382 T383P375-E379 PolarHBondContact O-N 2.8Å; E379-R382 PolarHBondContact O-N 2.88Å; E379-T383 PolarHBondContact O-N 2.86Å; E379-T383 PolarHBondContact O-OG1 3.1Å
380S74.7Confident69.3Low69 Ų69106 Ų10648%0.48354%0.541SS..Hα-helixtrans-63.8-45.3-179.8-59.70000112.2D376 F377 T383 L384D376-S380 VanDerWaalsContact O-CB 3.28Å; D376-S380 WeakPolarHBondContact O-CB 3.07Å; D376-S380 PolarHBondContact O-N 3.28Å; D376-S380 PolarHBondContact O-OG 2.94Å; F377-S380 PolarHBondContact O-N 2.94Å; S380-T383 PolarHBondContact O-N 3.03Å; S380-L384 PolarHBondContact O-N 3.3Å
381M75.1Confident70.8Confident73 Ų73106.9 Ų106.936%0.3654%0.54SS..Hα-helixtrans-65.8-40.3177.8-75.7-66.4-76.800111.9F377 T383 L384 F385F377-M381 HydrophobicContact CD1-CG 4.07Å; F377-M381 HydrophobicContact CD2-CG 4.44Å; F377-M381 HydrophobicContact CE1-CG 3.69Å; F377-M381 HydrophobicContact CE2-CG 4.09Å; F377-M381 HydrophobicContact CE2-SD 4.44Å; F377-M381 HydrophobicContact CG-CG 4.44Å; F377-M381 HydrophobicContact CZ-CG 3.69Å; F377-M381 HydrophobicContact CZ-SD 4.05Å; F377-M381 WeakPolarHBondContact O-CB 3.34Å; F377-M381 VanDerWaalsContact O-CG 3.31Å; F377-M381 WeakPolarHBondContact O-CG 3.46Å; F377-M381 PolarHBondContact O-N 3.11Å; M381-T383 VanDerWaalsContact C-N 3.29Å; M381-T383 PolarHBondContact O-N 3.01Å; M381-L384 PolarHBondContact O-N 3.36Å; M381-F385 HydrophobicContact CE-CD2 4.49Å; M381-F385 HydrophobicContact CE-CE2 3.84Å; M381-F385 WeakPolarHBondContact O-CB 3.22Å; M381-F385 WeakPolarHBondContact O-CD2 2.96Å; M381-F385 PolarHBondContact O-N 3.27Å
382R77.5Confident72.2Confident178 Ų178106.4 Ų106.467%0.67254%0.536SS*.Hα-helixtrans-60.4-42.6175.1-170.8179.3-174.4177.42.3111T378 E379 F385 T386T378-R382 VanDerWaalsContact O-CB 3.3Å; T378-R382 WeakPolarHBondContact O-CB 3.44Å; T378-R382 PolarHBondContact O-N 2.65Å; E379-R382 PolarHBondContact O-N 2.88Å; R382-F385 PolarHBondContact O-N 2.79Å; R382-T386 WeakPolarHBondContact O-CB 3.46Å; R382-T386 PolarHBondContact O-N 2.8Å; R382-T386 PolarHBondContact O-OG1 2.77Å
383T80.8Confident73.8Confident72 Ų72102.9 Ų102.944%0.44254%0.535SS..Hα-helixtrans-65.4-43178.9-44.20000111.2E379 S380 M381 T386 Y387E379-T383 PolarHBondContact O-N 2.86Å; E379-T383 PolarHBondContact O-OG1 3.1Å; S380-T383 PolarHBondContact O-N 3.03Å; M381-T383 VanDerWaalsContact C-N 3.29Å; M381-T383 PolarHBondContact O-N 3.01Å; T383-T386 PolarHBondContact O-N 3.36Å; T383-Y387 HydrophobicContact CG2-CD2 4.19Å; T383-Y387 HydrophobicContact CG2-CE2 4.32Å; T383-Y387 WeakPolarHBondContact O-CD2 3.46Å; T383-Y387 PolarHBondContact O-N 3.05Å
384L84.4Confident75.4Confident114 Ų114104.6 Ų104.660%0.59754%0.539SS*.Hα-helixtrans-63.5-45.4177.6-124153.7000112.3S380 M381 T386 Y387 Y388S380-L384 PolarHBondContact O-N 3.3Å; M381-L384 PolarHBondContact O-N 3.36Å; L384-T386 VanDerWaalsContact C-N 3.33Å; L384-T386 PolarHBondContact O-N 2.93Å; L384-Y387 PolarHBondContact O-N 2.94Å; L384-Y388 WeakPolarHBondContact O-CB 3.37Å; L384-Y388 PolarHBondContact O-N 3.36Å
385F83Confident75.8Confident131 Ų131109.8 Ų109.858%0.57556%0.56SS**Hα-helixtrans-63.5-39.7174.4-90.6-70.1000112.1M381 R382 Y388 V389M381-F385 HydrophobicContact CE-CD2 4.49Å; M381-F385 HydrophobicContact CE-CE2 3.84Å; M381-F385 WeakPolarHBondContact O-CB 3.22Å; M381-F385 WeakPolarHBondContact O-CD2 2.96Å; M381-F385 PolarHBondContact O-N 3.27Å; R382-F385 PolarHBondContact O-N 2.79Å; F385-Y388 PolarHBondContact O-N 3.37Å; F385-V389 WeakPolarHBondContact O-CB 3.26Å; F385-V389 VanDerWaalsContact O-CG2 3.28Å; F385-V389 WeakPolarHBondContact O-CG2 2.92Å; F385-V389 PolarHBondContact O-N 2.8Å
386T84.4Confident76.7Confident80 Ų80110.6 Ų110.649%0.49156%0.557SS.*Hα-helixtrans-63.7-44.9178-500000110.4R382 T383 L384 Y388 V389 V390R382-T386 WeakPolarHBondContact O-CB 3.46Å; R382-T386 PolarHBondContact O-N 2.8Å; R382-T386 PolarHBondContact O-OG1 2.77Å; T383-T386 PolarHBondContact O-N 3.36Å; L384-T386 VanDerWaalsContact C-N 3.33Å; L384-T386 PolarHBondContact O-N 2.93Å; T386-Y388 PolarHBondContact O-N 3.41Å; T386-V389 PolarHBondContact O-N 3.38Å; T386-V390 WeakPolarHBondContact O-CB 3.46Å; T386-V390 WeakPolarHBondContact O-CG2 3.23Å; T386-V390 PolarHBondContact O-N 3.38Å
387Y85.3Confident77.6Confident160 Ų160110.8 Ų110.863%0.62756%0.557SS**Hα-helixtrans-63.1-39.8174.7-97.2-80.8000112.8T383 L384 V390 M391T383-Y387 HydrophobicContact CG2-CD2 4.19Å; T383-Y387 HydrophobicContact CG2-CE2 4.32Å; T383-Y387 WeakPolarHBondContact O-CD2 3.46Å; T383-Y387 PolarHBondContact O-N 3.05Å; L384-Y387 PolarHBondContact O-N 2.94Å; Y387-V390 PolarHBondContact O-N 3Å; Y387-M391 WeakPolarHBondContact O-CB 3.15Å; Y387-M391 VanDerWaalsContact O-CG 3.23Å; Y387-M391 WeakPolarHBondContact O-CG 3.32Å; Y387-M391 PolarHBondContact O-N 3.16Å
388Y85.8Confident78.5Confident161 Ų161112.6 Ų112.663%0.63157%0.569SS**Hα-helixtrans-65.8-44.3178.7-154.8-88.3000111.5L384 F385 T386 M391 T392L384-Y388 WeakPolarHBondContact O-CB 3.37Å; L384-Y388 PolarHBondContact O-N 3.36Å; F385-Y388 PolarHBondContact O-N 3.37Å; T386-Y388 PolarHBondContact O-N 3.41Å; Y388-M391 PolarHBondContact O-N 2.94Å; Y388-T392 HydrophobicContact CD1-CG2 4.02Å; Y388-T392 HydrophobicContact CE1-CG2 3.91Å; Y388-T392 WeakPolarHBondContact O-CG2 3.32Å; Y388-T392 PolarHBondContact O-N 3.48Å; Y388-T392 PolarHBondContact O-OG1 3.45Å
389V86.2Confident79.2Confident83 Ų83114 Ų11450%0.50357%0.57SS.*Hα-helixtrans-62.3-46175.7171.30000110.9F385 T386 M391 T392 V393F385-V389 WeakPolarHBondContact O-CB 3.26Å; F385-V389 VanDerWaalsContact O-CG2 3.28Å; F385-V389 WeakPolarHBondContact O-CG2 2.92Å; F385-V389 PolarHBondContact O-N 2.8Å; T386-V389 PolarHBondContact O-N 3.38Å; V389-M391 VanDerWaalsContact C-N 3.32Å; V389-M391 PolarHBondContact O-N 2.99Å; V389-T392 VanDerWaalsContact CA-OG1 3.29Å; V389-T392 WeakPolarHBondContact CA-OG1 3.42Å; V389-T392 PolarHBondContact O-N 3.29Å; V389-T392 PolarHBondContact O-OG1 3.32Å; V389-V393 HydrophobicContact CG1-CG2 4.38Å; V389-V393 WeakPolarHBondContact O-CB 3.23Å; V389-V393 VanDerWaalsContact O-CG2 3.27Å; V389-V393 WeakPolarHBondContact O-CG2 3.5Å; V389-V393 PolarHBondContact O-N 3.23Å
390V85.3Confident80Confident75 Ų75113.3 Ų113.346%0.45557%0.569SS.*Hα-helixtrans-59.3-45.2175.8169.80000110.5T386 Y387 T392 V393 V394T386-V390 WeakPolarHBondContact O-CB 3.46Å; T386-V390 WeakPolarHBondContact O-CG2 3.23Å; T386-V390 PolarHBondContact O-N 3.38Å; Y387-V390 PolarHBondContact O-N 3Å; V390-T392 PolarHBondContact O-N 3.33Å; V390-V393 PolarHBondContact O-N 2.74Å; V390-V394 HydrophobicContact CG1-CG2 4.2Å; V390-V394 WeakPolarHBondContact O-CB 3.19Å; V390-V394 WeakPolarHBondContact O-CG2 3.45Å; V390-V394 PolarHBondContact O-N 2.65Å
391M80.2Confident80.3Confident105 Ų105116.3 Ų116.352%0.51758%0.575SS.*Hα-helixtrans-62.5-40.6177.2-75.1-67.7-167.500112.4Y387 Y388 V389 V393 V394 F395Y387-M391 WeakPolarHBondContact O-CB 3.15Å; Y387-M391 VanDerWaalsContact O-CG 3.23Å; Y387-M391 WeakPolarHBondContact O-CG 3.32Å; Y387-M391 PolarHBondContact O-N 3.16Å; Y388-M391 PolarHBondContact O-N 2.94Å; V389-M391 VanDerWaalsContact C-N 3.32Å; V389-M391 PolarHBondContact O-N 2.99Å; M391-V393 VanDerWaalsContact C-N 3.3Å; M391-V393 PolarHBondContact O-N 3.3Å; M391-V394 PolarHBondContact O-N 3.25Å; M391-F395 WeakPolarHBondContact O-CB 3.2Å; M391-F395 PolarHBondContact O-N 3.13Å; M391-F395 HydrophobicContact SD-CD2 4.2Å; M391-F395 HydrophobicContact SD-CE2 4.02Å
392T78.1Confident80.7Confident79 Ų79119.4 Ų119.449%0.48559%0.591SS.*Hα-helixtrans-75.8-11.8177.450.10000115.2Y388 V389 V390 F395Y388-T392 HydrophobicContact CD1-CG2 4.02Å; Y388-T392 HydrophobicContact CE1-CG2 3.91Å; Y388-T392 WeakPolarHBondContact O-CG2 3.32Å; Y388-T392 PolarHBondContact O-N 3.48Å; Y388-T392 PolarHBondContact O-OG1 3.45Å; V389-T392 VanDerWaalsContact CA-OG1 3.29Å; V389-T392 WeakPolarHBondContact CA-OG1 3.42Å; V389-T392 PolarHBondContact O-N 3.29Å; V389-T392 PolarHBondContact O-OG1 3.32Å; V390-T392 PolarHBondContact O-N 3.33Å; T392-F395 VanDerWaalsContact C-OXT 3.28Å
393V80.3Confident80.9Confident117 Ų117114.8 Ų114.871%0.70958%0.584SS**Hα-helixtrans-96.3-29.4174.6170.70000110.5V389 V390 M391V389-V393 HydrophobicContact CG1-CG2 4.38Å; V389-V393 WeakPolarHBondContact O-CB 3.23Å; V389-V393 VanDerWaalsContact O-CG2 3.27Å; V389-V393 WeakPolarHBondContact O-CG2 3.5Å; V389-V393 PolarHBondContact O-N 3.23Å; V390-V393 PolarHBondContact O-N 2.74Å; M391-V393 VanDerWaalsContact C-N 3.3Å; M391-V393 PolarHBondContact O-N 3.3Å
394V79.3Confident80.9Confident107 Ų107118.4 Ų118.465%0.64860%0.596SS**Hα-helixtrans-84-32.4178.7172.70000112.2V390 M391V390-V394 HydrophobicContact CG1-CG2 4.2Å; V390-V394 WeakPolarHBondContact O-CB 3.19Å; V390-V394 WeakPolarHBondContact O-CG2 3.45Å; V390-V394 PolarHBondContact O-N 2.65Å; M391-V394 PolarHBondContact O-N 3.25Å
395F59.2Low80.6Confident209 Ų209118.8 Ų118.892%0.91760%0.596SS**  trans-110.50171.7-70.4-85.5000110.2M391 T392M391-F395 WeakPolarHBondContact O-CB 3.2Å; M391-F395 PolarHBondContact O-N 3.13Å; M391-F395 HydrophobicContact SD-CD2 4.2Å; M391-F395 HydrophobicContact SD-CE2 4.02Å; T392-F395 VanDerWaalsContact C-OXT 3.28Å

Retrieved 395 of 395 residues in 463.1 ms (Link to these results)