A0A087XVU8_POEFO Loading...

Diacylglycerol kinase

Diacylglycerol kinase that converts diacylglycerol/DAG into phosphatidic acid/phosphatidate/PA and regulates the respective levels of these two bioactive lipids. Thereby, acts as a central switch between the signaling pathways activated by these second messengers with different cellular targets and opposite effects in numerous biological processes. Also plays an important role in the biosynthesis of complex lipids. Can also phosphorylate 1-alkyl-2-acylglycerol in vitro as efficiently as diacylglycerol provided it contains an arachidonoyl group. Also involved in the production of alkyl-lysophosphatidic acid, another bioactive lipid, through the phosphorylation of 1-alkyl-2-acetyl glycerol.

AlphaFold DB , UniProt , Accession A0A087XVU8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 730 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
1M34.6Very low36.9Very low248 Ų248140.6 Ų140.6100%1.22278%0.782SS**  095.70-78.3178.8172.600106.9
2S29.3Very low37.5Very low121 Ų121131.8 Ų131.885%0.84673%0.731SS**PPolyproline II helixtrans-78.6125.8-178.7-41.30000108.3
3T27.9Very low38Very low128 Ų128126 Ų12679%0.78570%0.699SS**PPolyproline II helixtrans-58131.4168.134.30000109.6T5T3-T5 PolarHBondContact O-N 3.22Å
4P32.7Very low37.9Very low126 Ų126121.6 Ų121.682%0.81868%0.679SS**PPolyproline II helixtrans-71.2117176.527.5-28.9000109N6P4-N6 PolarHBondContact O-N 3.31Å
5T35.1Very low38.2Very low132 Ų132120.2 Ų120.281%0.8167%0.674SS**  trans-62115.9162390000108.3T3 P7T3-T5 PolarHBondContact O-N 3.22Å; T5-P7 WeakPolarHBondContact O-CD 3.15Å
6N28.8Very low38.8Very low138 Ų138113.2 Ų113.274%0.73864%0.635SS**  trans-73.4119.2176.2-161.59.9000109.3P4 E8P4-N6 PolarHBondContact O-N 3.31Å; N6-E8 PolarHBondContact O-N 3.06Å
7P37.3Very low39.2Very low121 Ų121107.2 Ų107.279%0.78660%0.6SS**  trans-92.324.8-171.435.9-32.5000114.7T5T5-P7 WeakPolarHBondContact O-CD 3.15Å
8E39.7Very low39.5Very low122 Ų122106.5 Ų106.557%0.5759%0.594SS**  trans-111.478.3178.4-74.7-167165.300112.1N6 K10N6-E8 PolarHBondContact O-N 3.06Å; E8-K10 HydrophobicContact CB-CG 4.47Å; E8-K10 PolarHBondContact O-N 3.11Å; E8-K10 WeakPolarHBondContact OE2-CE 3.45Å; E8-K10 IonicContact OE2-NZ 3.65Å; E8-K10 PolarHBondContact OE2-NZ 2.79Å
9V43.4Very low40.2Very low104 Ų104104.2 Ų104.263%0.6358%0.578SS**  trans-92.489.1155.9-175.90000106.8
10K44.5Very low40.9Very low127 Ų12799 Ų9955%0.55255%0.549SS*.  trans-58.4139.5-174.9-73.8172.4173.61520112E8 R77E8-K10 HydrophobicContact CB-CG 4.47Å; E8-K10 PolarHBondContact O-N 3.11Å; E8-K10 WeakPolarHBondContact OE2-CE 3.45Å; E8-K10 IonicContact OE2-NZ 3.65Å; E8-K10 PolarHBondContact OE2-NZ 2.79Å; K10-R77 WeakPolarHBondContact O-CD 3.43Å
11E52.2Low41.4Very low180 Ų18097 Ų9784%0.84154%0.536SS*.  trans-45.3160.9159.9-67.9170.3161.200111.7N13E11-N13 PolarHBondContact O-N 2.69Å; E11-N13 VanDerWaalsContact O-N 3.16Å
12L44.4Very low42.4Very low34 Ų3487.7 Ų87.718%0.17849%0.489CS..  trans-52.9120.2175-121.4126.4000111D16 F17 R77 L78 Y150L12-D16 HydrophobicContact CD2-CB 3.95Å; L12-D16 HydrophobicContact CG-CB 4.45Å; L12-F17 HydrophobicContact CD2-CB 4.22Å; L12-R77 VanDerWaalsContact CD1-C 3.48Å; L12-R77 HydrophobicContact CD1-CB 4.29Å; L12-R77 WeakPolarHBondContact CD1-O 3.46Å; L12-R77 HydrophobicContact CG-CB 4.4Å; L12-L78 HydrophobicContact CD1-CB 4.17Å; L12-L78 HydrophobicContact CD1-CD2 3.52Å; L12-L78 HydrophobicContact CD1-CG 3.78Å; L12-L78 HydrophobicContact CD2-CD2 3.77Å; L12-L78 HydrophobicContact CD2-CG 4.29Å; L12-L78 HydrophobicContact CG-CD2 4.26Å; L12-L78 HydrophobicContact CG-CG 4.5Å; L12-Y150 HydrophobicContact CD2-CE2 4.46Å
13N44.3Very low43.9Very low57 Ų5783 Ų8331%0.30545%0.453SS..  trans-99.1162.4-176.670.452000112.1E11 V15 D16 Y150E11-N13 PolarHBondContact O-N 2.69Å; E11-N13 VanDerWaalsContact O-N 3.16Å; N13-V15 PolarHBondContact O-N 3Å; N13-V15 WeakPolarHBondContact OD1-CA 3.48Å; N13-V15 VanDerWaalsContact OD1-CB 3.27Å; N13-V15 WeakPolarHBondContact OD1-CB 3.27Å; N13-V15 PolarHBondContact OD1-N 2.85Å; N13-D16 VanDerWaalsContact CG-OD2 3.29Å; N13-D16 PolarHBondContact N-OD2 3.19Å; N13-D16 PolarHBondContact ND2-OD2 3.21Å; N13-D16 VanDerWaalsContact O-CB 3.3Å; N13-D16 WeakPolarHBondContact O-CB 3.5Å; N13-D16 PolarHBondContact O-N 3.42Å; N13-D16 PolarHBondContact OD1-N 3.27Å; N13-Y150 VanDerWaalsContact C-CE2 3.41Å; N13-Y150 WeakPolarHBondContact O-CE2 3.47Å; N13-Y150 VanDerWaalsContact O-CZ 3.28Å; N13-Y150 PolarHBondContact O-OH 2.93Å
14P36.7Very low45.4Very low65 Ų6577.5 Ų77.542%0.42242%0.419SS..Hα-helixtrans-52.7-22.4178.4-32.939000116.9I18 Y150P14-I18 VanDerWaalsContact O-CD1 3.29Å; P14-I18 WeakPolarHBondContact O-CD1 3.23Å; P14-I18 WeakPolarHBondContact O-CG1 3.29Å; P14-I18 PolarHBondContact O-N 2.79Å; P14-Y150 WeakPolarHBondContact CA-OH 3.34Å; P14-Y150 PolarHBondContact O-OH 3.43Å
15V42.8Very low46.4Very low100 Ų10075.3 Ų75.361%0.60640%0.397SS*.Hα-helixtrans-80.6-37.9178.1-178.20000111N13 F17 I18 Q19N13-V15 PolarHBondContact O-N 3Å; N13-V15 WeakPolarHBondContact OD1-CA 3.48Å; N13-V15 VanDerWaalsContact OD1-CB 3.27Å; N13-V15 WeakPolarHBondContact OD1-CB 3.27Å; N13-V15 PolarHBondContact OD1-N 2.85Å; V15-F17 VanDerWaalsContact C-N 3.35Å; V15-F17 PolarHBondContact O-N 3.31Å; V15-I18 PolarHBondContact O-N 2.84Å; V15-Q19 VanDerWaalsContact O-CB 3.24Å; V15-Q19 WeakPolarHBondContact O-CB 3.43Å; V15-Q19 PolarHBondContact O-N 3.01Å
16D47Very low47.3Very low8 Ų873.2 Ų73.24%0.04338%0.376CS..Hα-helixtrans-61.2-35.1-176.6-77.2-23.1000113.8L12 N13 Q19 L20 L74 R77L12-D16 HydrophobicContact CD2-CB 3.95Å; L12-D16 HydrophobicContact CG-CB 4.45Å; N13-D16 VanDerWaalsContact CG-OD2 3.29Å; N13-D16 PolarHBondContact N-OD2 3.19Å; N13-D16 PolarHBondContact ND2-OD2 3.21Å; N13-D16 VanDerWaalsContact O-CB 3.3Å; N13-D16 WeakPolarHBondContact O-CB 3.5Å; N13-D16 PolarHBondContact O-N 3.42Å; N13-D16 PolarHBondContact OD1-N 3.27Å; D16-Q19 WeakPolarHBondContact O-CB 3.41Å; D16-L20 PolarHBondContact O-N 2.98Å; D16-L74 HydrophobicContact CB-CD1 3.27Å; D16-L74 VanDerWaalsContact CG-CD1 3.45Å; D16-R77 VanDerWaalsContact CG-NH2 3.32Å; D16-R77 IonicContact OD1-CZ 3.76Å; D16-R77 IonicContact OD1-NE 2.59Å; D16-R77 IonicContact OD1-NH2 3.7Å; D16-R77 PolarHBondContact OD1-NH2 2.85Å; D16-R77 IonicContact OD2-CZ 3.15Å; D16-R77 IonicContact OD2-NE 3.22Å; D16-R77 PolarHBondContact OD2-NE 3.39Å; D16-R77 IonicContact OD2-NH2 3.96Å; D16-R77 PolarHBondContact OD2-NH2 3.35Å
17F46.2Very low48.8Very low12 Ų1267.9 Ų67.95%0.05335%0.349CS..Hα-helixtrans-99.6-20.3176.5151.7-48.6000115.1L12 V15 Q19 L20 Q21 Y104 L108 Y150 L151L12-F17 HydrophobicContact CD2-CB 4.22Å; V15-F17 VanDerWaalsContact C-N 3.35Å; V15-F17 PolarHBondContact O-N 3.31Å; F17-Q19 PolarHBondContact O-N 2.86Å; F17-L20 HydrophobicContact CB-CB 4.12Å; F17-L20 HydrophobicContact CD2-CD2 4.29Å; F17-L20 PolarHBondContact O-N 3.18Å; F17-Q21 HydrophobicContact CD1-CG 3.88Å; F17-Q21 HydrophobicContact CE1-CG 3.64Å; F17-Q21 HydrophobicContact CG-CG 4.48Å; F17-Q21 HydrophobicContact CZ-CG 4.01Å; F17-Q21 WeakPolarHBondContact O-CB 3.21Å; F17-Q21 WeakPolarHBondContact O-CG 3.36Å; F17-Q21 PolarHBondContact O-N 3.15Å; F17-Y104 AromaticContact CD2-CZ 3.98Å; F17-Y104 WeakPolarHBondContact CD2-OH 3.27Å; F17-Y104 AromaticContact CE2-CZ 3.89Å; F17-Y104 VanDerWaalsContact CE2-OH 3.26Å; F17-Y104 WeakPolarHBondContact CE2-OH 3.06Å; F17-L108 HydrophobicContact CE2-CD1 4.24Å; F17-L108 HydrophobicContact CE2-CD2 4.02Å; F17-L108 HydrophobicContact CZ-CD2 3.97Å; F17-Y150 WeakPolarHBondContact CA-OH 3.46Å; F17-Y150 HydrophobicContact CB-CD1 4.49Å; F17-Y150 HydrophobicContact CB-CE1 3.54Å; F17-Y150 HydrophobicContact CB-CE2 4.06Å; F17-Y150 WeakPolarHBondContact CB-OH 3.4Å; F17-Y150 AromaticContact CD1-CD1 3.64Å; F17-Y150 HydrophobicContact CD1-CD1 3.64Å; F17-Y150 AromaticContact CD1-CE1 3.01Å; F17-Y150 HydrophobicContact CD1-CE1 3.01Å; F17-Y150 AromaticContact CD1-CZ 3.77Å; F17-Y150 HydrophobicContact CD2-CE1 4.28Å; F17-Y150 AromaticContact CE1-CD1 3.89Å; F17-Y150 HydrophobicContact CE1-CD1 3.89Å; F17-Y150 AromaticContact CE1-CE1 3.72Å; F17-Y150 HydrophobicContact CE1-CE1 3.72Å; F17-Y150 AromaticContact CG-CD1 3.99Å; F17-Y150 HydrophobicContact CG-CD1 3.99Å; F17-Y150 AromaticContact CG-CE1 3.33Å; F17-Y150 HydrophobicContact CG-CE1 3.33Å; F17-Y150 AromaticContact CG-CZ 3.64Å; F17-Y150 HydrophobicContact CZ-CD1 4.47Å; F17-Y150 PolarHBondContact N-OH 3.17Å; F17-L151 HydrophobicContact CE1-CD2 3.87Å
18I44.7Very low49.8Very low94 Ų9466.4 Ų66.448%0.48234%0.341SS..Hα-helixtrans-57.3-41156.3-72.2170000108.9P14 V15 Q22P14-I18 VanDerWaalsContact O-CD1 3.29Å; P14-I18 WeakPolarHBondContact O-CD1 3.23Å; P14-I18 WeakPolarHBondContact O-CG1 3.29Å; P14-I18 PolarHBondContact O-N 2.79Å; V15-I18 PolarHBondContact O-N 2.84Å; I18-Q22 WeakPolarHBondContact O-CB 3.21Å; I18-Q22 WeakPolarHBondContact O-CG 3.4Å; I18-Q22 PolarHBondContact O-N 2.97Å
19Q52.1Low51Low63 Ų6363.2 Ų63.229%0.29433%0.328SS..Hα-helixtrans-65.2-46.3173.5-178.6169.51900111.1V15 D16 F17 Q22 Y23 L74V15-Q19 VanDerWaalsContact O-CB 3.24Å; V15-Q19 WeakPolarHBondContact O-CB 3.43Å; V15-Q19 PolarHBondContact O-N 3.01Å; D16-Q19 WeakPolarHBondContact O-CB 3.41Å; F17-Q19 PolarHBondContact O-N 2.86Å; Q19-Q22 WeakPolarHBondContact O-CB 3.35Å; Q19-Q22 PolarHBondContact O-N 3.41Å; Q19-Y23 HydrophobicContact CG-CD2 4.06Å; Q19-Y23 HydrophobicContact CG-CE2 3.59Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.49Å; Q19-Y23 PolarHBondContact O-N 3.48Å; Q19-Y23 VanDerWaalsContact O-N 3.09Å; Q19-L74 HydrophobicContact CB-CD2 4.45Å; Q19-L74 HydrophobicContact CG-CD2 4.01Å
20L54.7Low52.4Low0 Ų061.6 Ų61.60%031%0.312CS..Hα-helixtrans-59.1-49.1174.6-171.264000113.5D16 F17 Q22 Y23 I24 L66 F70 L78 Y104 F105D16-L20 PolarHBondContact O-N 2.98Å; F17-L20 HydrophobicContact CB-CB 4.12Å; F17-L20 HydrophobicContact CD2-CD2 4.29Å; F17-L20 PolarHBondContact O-N 3.18Å; L20-Q22 VanDerWaalsContact C-N 3.26Å; L20-Q22 PolarHBondContact O-N 2.71Å; L20-Y23 WeakPolarHBondContact O-CA 3.35Å; L20-Y23 WeakPolarHBondContact O-CB 3.22Å; L20-Y23 PolarHBondContact O-N 2.93Å; L20-I24 HydrophobicContact CD2-CD1 4.48Å; L20-I24 HydrophobicContact CG-CD1 3.99Å; L20-I24 HydrophobicContact CG-CG1 4.44Å; L20-I24 WeakPolarHBondContact O-CG1 3.27Å; L20-I24 PolarHBondContact O-N 2.78Å; L20-L66 HydrophobicContact CD1-CD1 4.19Å; L20-F70 HydrophobicContact CD1-CE2 3.69Å; L20-F70 HydrophobicContact CD1-CZ 3.63Å; L20-L78 HydrophobicContact CD1-CD1 3.87Å; L20-L78 HydrophobicContact CD2-CD1 3.91Å; L20-L78 HydrophobicContact CD2-CD2 3.82Å; L20-L78 HydrophobicContact CG-CD1 4.41Å; L20-Y104 HydrophobicContact CD2-CE1 3.82Å; L20-F105 HydrophobicContact CD1-CE1 3.79Å; L20-F105 HydrophobicContact CD1-CZ 3.99Å; L20-F105 HydrophobicContact CD2-CE1 3.93Å; L20-F105 HydrophobicContact CD2-CZ 3.92Å; L20-F105 HydrophobicContact CG-CE1 4.11Å; L20-F105 HydrophobicContact CG-CZ 4.44Å
21Q51Low53.8Low58 Ų5855.5 Ų55.527%0.27129%0.286SS..Hα-helixtrans-60.1-37.8176.7-78-169.6-25.400111.8F17 Y23 I24 E25 L108F17-Q21 HydrophobicContact CD1-CG 3.88Å; F17-Q21 HydrophobicContact CE1-CG 3.64Å; F17-Q21 HydrophobicContact CG-CG 4.48Å; F17-Q21 HydrophobicContact CZ-CG 4.01Å; F17-Q21 WeakPolarHBondContact O-CB 3.21Å; F17-Q21 WeakPolarHBondContact O-CG 3.36Å; F17-Q21 PolarHBondContact O-N 3.15Å; Q21-Y23 VanDerWaalsContact C-N 3.26Å; Q21-Y23 PolarHBondContact O-N 3.44Å; Q21-I24 PolarHBondContact O-N 3.01Å; Q21-E25 VanDerWaalsContact O-CG 3.28Å; Q21-E25 WeakPolarHBondContact O-CG 3.34Å; Q21-E25 PolarHBondContact O-N 2.89Å; Q21-E25 VanDerWaalsContact O-N 3.08Å; Q21-L108 HydrophobicContact CG-CD2 4.48Å
22Q55.5Low54.9Low52 Ų5253 Ų5324%0.24327%0.272CS..Hα-helixtrans-62.1-34172.4-77.217320.400112.1I18 Q19 L20 Y26 N552I18-Q22 WeakPolarHBondContact O-CB 3.21Å; I18-Q22 WeakPolarHBondContact O-CG 3.4Å; I18-Q22 PolarHBondContact O-N 2.97Å; Q19-Q22 WeakPolarHBondContact O-CB 3.35Å; Q19-Q22 PolarHBondContact O-N 3.41Å; L20-Q22 VanDerWaalsContact C-N 3.26Å; L20-Q22 PolarHBondContact O-N 2.71Å; Q22-Y26 WeakPolarHBondContact O-CD2 3.32Å; Q22-Y26 WeakPolarHBondContact O-CE2 3.39Å; Q22-N552 PolarHBondContact OE1-ND2 2.82Å
23Y60.7Low56.5Low21 Ų2153.7 Ų53.78%0.08228%0.276CS..Hα-helixtrans-70.5-46.4174.1-76.9-74.7000111.5Q19 L20 Q21 E25 Y26 C27 L66 V68 F70 Q549Q19-Y23 HydrophobicContact CG-CD2 4.06Å; Q19-Y23 HydrophobicContact CG-CE2 3.59Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.49Å; Q19-Y23 PolarHBondContact O-N 3.48Å; Q19-Y23 VanDerWaalsContact O-N 3.09Å; L20-Y23 WeakPolarHBondContact O-CA 3.35Å; L20-Y23 WeakPolarHBondContact O-CB 3.22Å; L20-Y23 PolarHBondContact O-N 2.93Å; Q21-Y23 VanDerWaalsContact C-N 3.26Å; Q21-Y23 PolarHBondContact O-N 3.44Å; Y23-E25 VanDerWaalsContact C-N 3.32Å; Y23-E25 PolarHBondContact O-N 2.9Å; Y23-Y26 PolarHBondContact O-N 3.32Å; Y23-C27 PolarHBondContact O-SG 2.71Å; Y23-C27 VanDerWaalsContact O-SG 3.32Å; Y23-L66 HydrophobicContact CG-CD1 4.46Å; Y23-V68 HydrophobicContact CD1-CG2 3.48Å; Y23-V68 VanDerWaalsContact CD1-CG2 3.48Å; Y23-V68 HydrophobicContact CE1-CG2 3.51Å; Y23-F70 HydrophobicContact CD2-CD2 4.05Å; Y23-F70 AromaticContact CD2-CE2 3.67Å; Y23-F70 HydrophobicContact CD2-CE2 3.67Å; Y23-F70 HydrophobicContact CE2-CD2 4.13Å; Y23-F70 AromaticContact CE2-CE2 3.97Å; Y23-F70 HydrophobicContact CE2-CE2 3.97Å; Y23-F70 HydrophobicContact CG-CD2 4.39Å; Y23-F70 HydrophobicContact CG-CE2 4.29Å; Y23-Q549 HydrophobicContact CD1-CB 4.33Å; Y23-Q549 HydrophobicContact CD1-CG 4.14Å; Y23-Q549 HydrophobicContact CE1-CB 4.22Å; Y23-Q549 HydrophobicContact CE1-CG 3.56Å
24I60.7Low58.3Low14 Ų1451 Ų517%0.07226%0.262CS..Hα-helixtrans-61.6-36.5-176.8-63.3175.5000112.9L20 Q21 Y26 C27 Y65 L66 F105 L108L20-I24 HydrophobicContact CD2-CD1 4.48Å; L20-I24 HydrophobicContact CG-CD1 3.99Å; L20-I24 HydrophobicContact CG-CG1 4.44Å; L20-I24 WeakPolarHBondContact O-CG1 3.27Å; L20-I24 PolarHBondContact O-N 2.78Å; Q21-I24 PolarHBondContact O-N 3.01Å; I24-Y26 PolarHBondContact O-N 2.81Å; I24-C27 VanDerWaalsContact CA-SG 3.58Å; I24-C27 WeakPolarHBondContact O-CB 3.4Å; I24-C27 PolarHBondContact O-N 3.31Å; I24-C27 VanDerWaalsContact O-N 3.14Å; I24-Y65 HydrophobicContact CD1-CE1 4.43Å; I24-Y65 HydrophobicContact CG1-CE1 3.99Å; I24-Y65 HydrophobicContact CG2-CE1 4.41Å; I24-L66 HydrophobicContact CG1-CD2 3.84Å; I24-F105 HydrophobicContact CD1-CD1 3.65Å; I24-F105 HydrophobicContact CD1-CE1 3.73Å; I24-F105 HydrophobicContact CG1-CD1 4.27Å; I24-F105 HydrophobicContact CG1-CE1 4.25Å; I24-L108 HydrophobicContact CD1-CB 3.74Å; I24-L108 HydrophobicContact CD1-CD1 3.29Å; I24-L108 HydrophobicContact CD1-CG 4.1Å; I24-L108 HydrophobicContact CG2-CB 4.23Å
25E52.9Low60.5Low79 Ų7950.2 Ų50.237%0.36925%0.253SS..THydrogen-bonded Turntrans-64-15.4-176.2-81.3174.8160.400115.2Q21 Y23 K391Q21-E25 VanDerWaalsContact O-CG 3.28Å; Q21-E25 WeakPolarHBondContact O-CG 3.34Å; Q21-E25 PolarHBondContact O-N 2.89Å; Q21-E25 VanDerWaalsContact O-N 3.08Å; Y23-E25 VanDerWaalsContact C-N 3.32Å; Y23-E25 PolarHBondContact O-N 2.9Å; E25-K391 WeakPolarHBondContact OE1-CE 3.48Å; E25-K391 IonicContact OE1-NZ 2.77Å; E25-K391 PolarHBondContact OE1-NZ 3.31Å; E25-K391 WeakPolarHBondContact OE2-CE 3.29Å; E25-K391 IonicContact OE2-NZ 3.72Å; E25-K391 PolarHBondContact OE2-NZ 2.82Å
26Y53.1Low62.4Low89 Ų8953 Ų5335%0.34925%0.253SS..THydrogen-bonded Turntrans-115.45.5179.2-51.7-78.7000113.5Q22 Y23 I24 P548Q22-Y26 WeakPolarHBondContact O-CD2 3.32Å; Q22-Y26 WeakPolarHBondContact O-CE2 3.39Å; Y23-Y26 PolarHBondContact O-N 3.32Å; I24-Y26 PolarHBondContact O-N 2.81Å; Y26-P548 HydrophobicContact CD1-CB 3.56Å; Y26-P548 HydrophobicContact CD1-CG 4.23Å; Y26-P548 HydrophobicContact CD2-CB 3.57Å; Y26-P548 HydrophobicContact CD2-CG 3.71Å; Y26-P548 HydrophobicContact CE1-CB 4.09Å; Y26-P548 HydrophobicContact CE2-CB 4.13Å; Y26-P548 HydrophobicContact CG-CB 3.29Å; Y26-P548 HydrophobicContact CG-CG 3.48Å; Y26-P548 VanDerWaalsContact CG-CG 3.48Å
27C60.4Low64.1Low26 Ų2654.6 Ų54.618%0.17626%0.26CS..  trans-66.4134.2172.6-640000110.5Y23 I24 Y65 L66Y23-C27 PolarHBondContact O-SG 2.71Å; Y23-C27 VanDerWaalsContact O-SG 3.32Å; I24-C27 VanDerWaalsContact CA-SG 3.58Å; I24-C27 WeakPolarHBondContact O-CB 3.4Å; I24-C27 PolarHBondContact O-N 3.31Å; I24-C27 VanDerWaalsContact O-N 3.14Å; C27-Y65 PolarHBondContact SG-O 2.92Å; C27-L66 VanDerWaalsContact SG-CA 3.57Å; C27-L66 VanDerWaalsContact SG-CD2 3.55Å
28S59.6Low65.9Low89 Ų8954.1 Ų54.162%0.62226%0.258SS*.  trans-88.3-23.7172.176.10000112.1E67S28-E67 VanDerWaalsContact CB-OE2 3.32Å; S28-E67 WeakPolarHBondContact CB-OE2 3.24Å; S28-E67 PolarHBondContact N-OE2 3.41Å; S28-E67 VanDerWaalsContact OG-CD 3.23Å; S28-E67 PolarHBondContact OG-OE1 3.31Å; S28-E67 PolarHBondContact OG-OE2 3.34Å
29L64.6Low67.7Low56 Ų5653.4 Ų53.429%0.29326%0.255SS..SBendtrans-89148.1-178.7-62.9177.1000112.6D33 T64 E67L29-D33 HydrophobicContact CD2-CB 4.43Å; L29-T64 WeakPolarHBondContact CD1-O 3.3Å; L29-E67 HydrophobicContact CD1-CG 4.03Å; L29-E67 HydrophobicContact CG-CG 4.39Å
30K72.3Confident68.9Low69 Ų6960 Ų6030%0.328%0.283SS..  trans-95.2155.1168.1-61.3-74.3-179.8173.60110.1K32 D33 V34 E109 D110K30-K32 HydrophobicContact CB-CD 4.43Å; K30-K32 HydrophobicContact CB-CG 3.89Å; K30-K32 PolarHBondContact O-N 2.91Å; K30-D33 VanDerWaalsContact CB-OD2 3.32Å; K30-D33 WeakPolarHBondContact CB-OD2 3.29Å; K30-D33 PolarHBondContact N-OD2 3.08Å; K30-D33 WeakPolarHBondContact O-CA 3.23Å; K30-D33 VanDerWaalsContact O-CB 3.29Å; K30-D33 WeakPolarHBondContact O-CB 3.3Å; K30-D33 PolarHBondContact O-N 3.38Å; K30-V34 PolarHBondContact O-N 3.32Å; K30-E109 WeakPolarHBondContact CA-OE1 3.45Å; K30-E109 HydrophobicContact CD-CB 4.5Å; K30-E109 VanDerWaalsContact CD-CD 3.48Å; K30-E109 HydrophobicContact CD-CG 4.3Å; K30-E109 VanDerWaalsContact CD-OE2 3.28Å; K30-E109 WeakPolarHBondContact CD-OE2 3.44Å; K30-D110 PolarHBondContact NZ-O 2.79Å
31V74.4Confident70Confident0 Ų068.2 Ų68.20%033%0.327CS..Hα-helixtrans-54.3-39.3176.7170.90000110.8D33 V34 L35 F61 Y65 S102 F105 S106 E109V31-D33 PolarHBondContact O-N 2.78Å; V31-V34 PolarHBondContact O-N 2.61Å; V31-V34 VanDerWaalsContact O-N 3.16Å; V31-L35 HydrophobicContact CG1-CD1 4.07Å; V31-L35 HydrophobicContact CG1-CG 4.15Å; V31-L35 WeakPolarHBondContact O-CB 3.46Å; V31-L35 WeakPolarHBondContact O-CG 3.17Å; V31-L35 PolarHBondContact O-N 2.95Å; V31-F61 HydrophobicContact CG1-CE2 4.34Å; V31-F61 HydrophobicContact CG1-CZ 4.09Å; V31-F61 HydrophobicContact CG2-CZ 4.44Å; V31-Y65 HydrophobicContact CB-CE2 4.43Å; V31-Y65 HydrophobicContact CG2-CD2 4.04Å; V31-Y65 HydrophobicContact CG2-CE2 3.54Å; V31-S102 WeakPolarHBondContact CG1-O 3.12Å; V31-F105 HydrophobicContact CG2-CB 3.45Å; V31-F105 VanDerWaalsContact CG2-CB 3.45Å; V31-S106 WeakPolarHBondContact CB-OG 3.46Å; V31-S106 WeakPolarHBondContact CG1-OG 3.31Å; V31-E109 WeakPolarHBondContact CG2-OE1 3.2Å; V31-E109 PolarHBondContact N-OE1 2.91Å
32K74.7Confident71.4Confident128 Ų12866.3 Ų66.356%0.55732%0.323SS*.Hα-helixtrans-58.2-31.417572.7-177.4-177.3179.70113.2K30K30-K32 HydrophobicContact CB-CD 4.43Å; K30-K32 HydrophobicContact CB-CG 3.89Å; K30-K32 PolarHBondContact O-N 2.91Å
33D79.3Confident72.7Confident48 Ų4872.7 Ų72.726%0.25735%0.345SS..Hα-helixtrans-76.9-38.5-179.5-54.4-43.9000109.7L29 K30 V31L29-D33 HydrophobicContact CD2-CB 4.43Å; K30-D33 VanDerWaalsContact CB-OD2 3.32Å; K30-D33 WeakPolarHBondContact CB-OD2 3.29Å; K30-D33 PolarHBondContact N-OD2 3.08Å; K30-D33 WeakPolarHBondContact O-CA 3.23Å; K30-D33 VanDerWaalsContact O-CB 3.29Å; K30-D33 WeakPolarHBondContact O-CB 3.3Å; K30-D33 PolarHBondContact O-N 3.38Å; V31-D33 PolarHBondContact O-N 2.78Å
34V81.8Confident73.9Confident1 Ų172.5 Ų72.51%0.00635%0.345CS..Hα-helixtrans-68.8-38174.7-176.70000111.7K30 V31 R36 E37 F38 F61 T64 Y65K30-V34 PolarHBondContact O-N 3.32Å; V31-V34 PolarHBondContact O-N 2.61Å; V31-V34 VanDerWaalsContact O-N 3.16Å; V34-R36 PolarHBondContact O-N 2.84Å; V34-E37 VanDerWaalsContact O-CB 3.28Å; V34-E37 WeakPolarHBondContact O-CB 3.03Å; V34-E37 PolarHBondContact O-N 2.87Å; V34-F38 HydrophobicContact CG1-CE2 4.23Å; V34-F61 HydrophobicContact CB-CE2 4.45Å; V34-F61 HydrophobicContact CG1-CD2 3.74Å; V34-F61 HydrophobicContact CG1-CE2 3.96Å; V34-F61 HydrophobicContact CG1-CG 4.34Å; V34-T64 HydrophobicContact CG1-CG2 4.06Å; V34-T64 HydrophobicContact CG2-CG2 4.24Å; V34-Y65 HydrophobicContact CG2-CD2 3.87Å; V34-Y65 HydrophobicContact CG2-CG 4.34Å
35L81.5Confident75Confident47 Ų4773.3 Ų73.325%0.24635%0.354CS..Hα-helixtrans-59.3-34.6178.4-84.1178000112.9V31 E37 F38 D39 L98 S102V31-L35 HydrophobicContact CG1-CD1 4.07Å; V31-L35 HydrophobicContact CG1-CG 4.15Å; V31-L35 WeakPolarHBondContact O-CB 3.46Å; V31-L35 WeakPolarHBondContact O-CG 3.17Å; V31-L35 PolarHBondContact O-N 2.95Å; L35-E37 PolarHBondContact O-N 2.93Å; L35-F38 PolarHBondContact O-N 2.9Å; L35-D39 PolarHBondContact O-N 3.07Å; L35-L98 HydrophobicContact CD2-CD1 4.09Å; L35-L98 HydrophobicContact CD2-CD2 3.86Å; L35-L98 HydrophobicContact CD2-CG 3.82Å; L35-S102 WeakPolarHBondContact CD2-OG 3.31Å
36R82.6Confident76.3Confident160 Ų16076.3 Ų76.360%0.60437%0.368SS*.G310 helixtrans-60.9-27.6175.5-67.7174.5-172.6172.72.4112.7V34 F38 D39V34-R36 PolarHBondContact O-N 2.84Å; R36-F38 PolarHBondContact O-N 3.42Å; R36-D39 PolarHBondContact O-N 2.88Å
37E83.6Confident77.7Confident41 Ų4173.5 Ų73.519%0.19236%0.358CS..G310 helixtrans-71.3-20.3176.1-60.2-70.9172.400112.1V34 L35 G42 R43 L44 A45V34-E37 VanDerWaalsContact O-CB 3.28Å; V34-E37 WeakPolarHBondContact O-CB 3.03Å; V34-E37 PolarHBondContact O-N 2.87Å; L35-E37 PolarHBondContact O-N 2.93Å; E37-G42 CarbonylContact O-C 3.53Å; E37-G42 VanDerWaalsContact O-CA 3.28Å; E37-G42 WeakPolarHBondContact O-CA 2.97Å; E37-R43 PolarHBondContact O-N 2.87Å; E37-R43 IonicContact OE1-CZ 3.37Å; E37-R43 IonicContact OE1-NE 3.69Å; E37-R43 PolarHBondContact OE1-NE 2.91Å; E37-R43 IonicContact OE1-NH2 3.53Å; E37-R43 PolarHBondContact OE1-NH2 3.19Å; E37-R43 VanDerWaalsContact OE2-CB 3.29Å; E37-R43 WeakPolarHBondContact OE2-CB 3.4Å; E37-R43 WeakPolarHBondContact OE2-CG 3.27Å; E37-R43 IonicContact OE2-CZ 2.76Å; E37-R43 PolarHBondContact OE2-N 2.93Å; E37-R43 IonicContact OE2-NE 3.95Å; E37-R43 PolarHBondContact OE2-NE 3.13Å; E37-R43 IonicContact OE2-NH2 3.48Å; E37-L44 HydrophobicContact CB-CB 4.31Å; E37-L44 HydrophobicContact CB-CD1 4Å; E37-L44 HydrophobicContact CB-CG 4.08Å; E37-L44 CarbonylContact O-C 3.47Å; E37-L44 VanDerWaalsContact O-CA 3.28Å; E37-L44 WeakPolarHBondContact O-CA 3.34Å; E37-L44 WeakPolarHBondContact O-CB 3.34Å; E37-L44 PolarHBondContact O-N 2.87Å; E37-A45 PolarHBondContact O-N 2.77Å
38F84.1Confident78.8Confident2 Ų276.4 Ų76.41%0.00937%0.365CS..G310 helixtrans-96.62.4175.5-70.9-92.3000113.3V34 L35 R36 L44 H47 R48 I53 G57 F61 L98V34-F38 HydrophobicContact CG1-CE2 4.23Å; L35-F38 PolarHBondContact O-N 2.9Å; R36-F38 PolarHBondContact O-N 3.42Å; F38-L44 HydrophobicContact CD1-CB 3.93Å; F38-L44 HydrophobicContact CD2-CB 4.17Å; F38-L44 HydrophobicContact CD2-CD1 4.13Å; F38-L44 HydrophobicContact CE1-CB 3.84Å; F38-L44 HydrophobicContact CE1-CD1 4.38Å; F38-L44 HydrophobicContact CE2-CB 4.08Å; F38-L44 HydrophobicContact CE2-CD1 3.45Å; F38-L44 VanDerWaalsContact CE2-CD1 3.45Å; F38-L44 HydrophobicContact CE2-CG 4.41Å; F38-L44 HydrophobicContact CG-CB 4.1Å; F38-L44 HydrophobicContact CZ-CB 3.91Å; F38-L44 HydrophobicContact CZ-CD1 3.6Å; F38-L44 HydrophobicContact CZ-CG 4.38Å; F38-H47 HydrophobicContact CE1-CB 4.18Å; F38-R48 HydrophobicContact CD1-CB 4.41Å; F38-R48 WeakPolarHBondContact O-CD 3.43Å; F38-R48 PolarHBondContact O-NH1 3.48Å; F38-I53 HydrophobicContact CD1-CG2 3.98Å; F38-I53 HydrophobicContact CE1-CG2 3.84Å; F38-G57 WeakPolarHBondContact CZ-O 3.42Å; F38-F61 HydrophobicContact CE2-CB 3.94Å; F38-F61 AromaticContact CE2-CD2 3.91Å; F38-F61 HydrophobicContact CE2-CD2 3.91Å; F38-F61 HydrophobicContact CE2-CG 4.43Å; F38-F61 HydrophobicContact CZ-CB 3.82Å; F38-F61 HydrophobicContact CZ-CD2 4.5Å; F38-L98 HydrophobicContact CB-CD2 3.8Å; F38-L98 HydrophobicContact CD1-CD2 4.33Å; F38-L98 HydrophobicContact CG-CD2 4.03Å
39D83.3Confident79.8Confident79 Ų7976.6 Ų76.642%0.42236%0.356SS..SBendtrans-75.6167.5171.8-71.6-28.1000111.2L35 R36 D41 G42 A45 R48L35-D39 PolarHBondContact O-N 3.07Å; R36-D39 PolarHBondContact O-N 2.88Å; D39-D41 PolarHBondContact O-N 2.79Å; D39-G42 PolarHBondContact O-N 3.3Å; D39-A45 VanDerWaalsContact O-CB 3.28Å; D39-A45 WeakPolarHBondContact O-CB 3.44Å; D39-R48 IonicContact OD1-NH1 3.84Å; D39-R48 PolarHBondContact OD1-NH1 2.87Å
40K75.8Confident80.6Confident202 Ų20276.8 Ų76.888%0.87837%0.371SS*.THydrogen-bonded Turntrans-54.5-28.7-171.5-70-176179.1178.70114.4
41D77.6Confident80.6Confident171 Ų17177.7 Ų77.791%0.91438%0.377SS*.THydrogen-bonded Turntrans-103.64.8-179.8-55.3-45.1000113.1D39D39-D41 PolarHBondContact O-N 2.79Å
42G80.8Confident81Confident18 Ų1878.6 Ų78.619%0.18638%0.382CS..SBendtrans-87.3159.8-176.100000114E37 D39 L44 A45E37-G42 CarbonylContact O-C 3.53Å; E37-G42 VanDerWaalsContact O-CA 3.28Å; E37-G42 WeakPolarHBondContact O-CA 2.97Å; D39-G42 PolarHBondContact O-N 3.3Å; G42-L44 PolarHBondContact O-N 3.39Å; G42-A45 WeakPolarHBondContact O-CB 3.3Å; G42-A45 PolarHBondContact O-N 2.85Å
43R83.2Confident81.6Confident186 Ų18672.5 Ų72.570%0.70236%0.356SS*.THydrogen-bonded Turntrans-68.8-19.3-174.7-63.2178.8-74.8174.6-5.3114.1E37E37-R43 PolarHBondContact O-N 2.87Å; E37-R43 IonicContact OE1-CZ 3.37Å; E37-R43 IonicContact OE1-NE 3.69Å; E37-R43 PolarHBondContact OE1-NE 2.91Å; E37-R43 IonicContact OE1-NH2 3.53Å; E37-R43 PolarHBondContact OE1-NH2 3.19Å; E37-R43 VanDerWaalsContact OE2-CB 3.29Å; E37-R43 WeakPolarHBondContact OE2-CB 3.4Å; E37-R43 WeakPolarHBondContact OE2-CG 3.27Å; E37-R43 IonicContact OE2-CZ 2.76Å; E37-R43 PolarHBondContact OE2-N 2.93Å; E37-R43 IonicContact OE2-NE 3.95Å; E37-R43 PolarHBondContact OE2-NE 3.13Å; E37-R43 IonicContact OE2-NH2 3.48Å
44L85.5Confident82Confident18 Ų1872.4 Ų72.49%0.09436%0.355CS..THydrogen-bonded Turntrans-108.38.2-178.3-57.7178000112.8E37 F38 G42 Q46 H47 Q60E37-L44 HydrophobicContact CB-CB 4.31Å; E37-L44 HydrophobicContact CB-CD1 4Å; E37-L44 HydrophobicContact CB-CG 4.08Å; E37-L44 CarbonylContact O-C 3.47Å; E37-L44 VanDerWaalsContact O-CA 3.28Å; E37-L44 WeakPolarHBondContact O-CA 3.34Å; E37-L44 WeakPolarHBondContact O-CB 3.34Å; E37-L44 PolarHBondContact O-N 2.87Å; F38-L44 HydrophobicContact CD1-CB 3.93Å; F38-L44 HydrophobicContact CD2-CB 4.17Å; F38-L44 HydrophobicContact CD2-CD1 4.13Å; F38-L44 HydrophobicContact CE1-CB 3.84Å; F38-L44 HydrophobicContact CE1-CD1 4.38Å; F38-L44 HydrophobicContact CE2-CB 4.08Å; F38-L44 HydrophobicContact CE2-CD1 3.45Å; F38-L44 VanDerWaalsContact CE2-CD1 3.45Å; F38-L44 HydrophobicContact CE2-CG 4.41Å; F38-L44 HydrophobicContact CG-CB 4.1Å; F38-L44 HydrophobicContact CZ-CB 3.91Å; F38-L44 HydrophobicContact CZ-CD1 3.6Å; F38-L44 HydrophobicContact CZ-CG 4.38Å; G42-L44 PolarHBondContact O-N 3.39Å; L44-Q46 PolarHBondContact O-N 3.34Å; L44-Q46 VanDerWaalsContact O-N 3.08Å; L44-H47 PolarHBondContact O-N 3.2Å; L44-Q60 HydrophobicContact CD1-CB 4.07Å; L44-Q60 HydrophobicContact CD2-CB 3.84Å; L44-Q60 HydrophobicContact CD2-CG 4.18Å
45A83.7Confident82.2Confident30 Ų3075.8 Ų75.825%0.24837%0.371CS..G310 helixtrans-51.5-35.9-179.200000113.4E37 D39 G42 H47 R48E37-A45 PolarHBondContact O-N 2.77Å; D39-A45 VanDerWaalsContact O-CB 3.28Å; D39-A45 WeakPolarHBondContact O-CB 3.44Å; G42-A45 WeakPolarHBondContact O-CB 3.3Å; G42-A45 PolarHBondContact O-N 2.85Å; A45-H47 PolarHBondContact O-N 2.73Å; A45-R48 PolarHBondContact O-N 2.86Å; A45-R48 VanDerWaalsContact O-N 3.16Å
46Q81.2Confident82.5Confident143 Ų14376.6 Ų76.667%0.66837%0.374SS*.G310 helixtrans-63.2-18.2179.470.2-154.912.800114.9L44L44-Q46 PolarHBondContact O-N 3.34Å; L44-Q46 VanDerWaalsContact O-N 3.08Å
47H82.9Confident82.7Confident29 Ų2969 Ų6913%0.13435%0.345CS..G310 helixtrans-95.4-0.7179.9-62.2-70.5000113F38 L44 A45F38-H47 HydrophobicContact CE1-CB 4.18Å; L44-H47 PolarHBondContact O-N 3.2Å; A45-H47 PolarHBondContact O-N 2.73Å
48R81.9Confident82.8Confident88 Ų8867 Ų6733%0.33234%0.336SS..EExtended strand (participates in β ladder)trans-101.4121.3-179.3-175.6177.3178.6172.13.9110.4F38 D39 A45 G50 C52F38-R48 HydrophobicContact CD1-CB 4.41Å; F38-R48 WeakPolarHBondContact O-CD 3.43Å; F38-R48 PolarHBondContact O-NH1 3.48Å; D39-R48 IonicContact OD1-NH1 3.84Å; D39-R48 PolarHBondContact OD1-NH1 2.87Å; A45-R48 PolarHBondContact O-N 2.86Å; A45-R48 VanDerWaalsContact O-N 3.16Å; R48-G50 WeakPolarHBondContact CG-O 3.49Å; R48-G50 PolarHBondContact NE-O 3.15Å; R48-C52 WeakPolarHBondContact CA-O 3.34Å
49H81.8Confident83Confident92 Ų9272.8 Ų72.843%0.42636%0.358SS..EExtended strand (participates in β ladder)trans-11193.6173.4-53.5130.6000108.8E51 C52 E95H49-E51 PolarHBondContact O-N 2.79Å; H49-E51 VanDerWaalsContact O-N 3.14Å; H49-C52 PolarHBondContact N-O 3.02Å; H49-C52 PolarHBondContact O-N 3.09Å; H49-E95 IonicContact CE1-OE1 2.78Å; H49-E95 IonicContact CG-OE1 3.93Å; H49-E95 IonicContact ND1-OE1 3.93Å; H49-E95 PolarHBondContact ND1-OE1 2.87Å
50G80.7Confident83.2Confident60 Ų6071.1 Ų71.162%0.61935%0.347SS*.THydrogen-bonded Turntrans64.5-112.3-172.400000112R48R48-G50 WeakPolarHBondContact CG-O 3.49Å; R48-G50 PolarHBondContact NE-O 3.15Å
51E72.9Confident83.7Confident89 Ų8961.5 Ų61.542%0.41631%0.306SS..THydrogen-bonded Turntrans-97.4-1.6176-55.8-151.6140.300113.4H49 F97 L98 K99H49-E51 PolarHBondContact O-N 2.79Å; H49-E51 VanDerWaalsContact O-N 3.14Å; E51-F97 HydrophobicContact CB-CD1 4.22Å; E51-L98 WeakPolarHBondContact O-CB 3.31Å; E51-L98 PolarHBondContact O-N 2.86Å; E51-K99 WeakPolarHBondContact OE1-CE 3.32Å; E51-K99 IonicContact OE1-NZ 3.8Å; E51-K99 PolarHBondContact OE1-NZ 3.45Å; E51-K99 IonicContact OE2-NZ 3.95Å; E51-K99 PolarHBondContact OE2-NZ 3.47Å
52C82.2Confident83.8Confident18 Ų1853.4 Ų53.412%0.12226%0.262CS..EExtended strand (participates in β ladder)trans-106.8157.3-173.8-62.60000112.3R48 H49 E95 V96 F97R48-C52 WeakPolarHBondContact CA-O 3.34Å; H49-C52 PolarHBondContact N-O 3.02Å; H49-C52 PolarHBondContact O-N 3.09Å; C52-E95 HydrophobicContact CB-CB 3.98Å; C52-E95 WeakPolarHBondContact CB-OE2 3.49Å; C52-V96 CarbonylContact C-O 3.54Å; C52-V96 VanDerWaalsContact CA-O 3.28Å; C52-V96 WeakPolarHBondContact CA-O 3.44Å; C52-F97 VanDerWaalsContact SG-CE1 3.59Å
53I87.8Confident83.8Confident0 Ų056.9 Ų56.90%027%0.272CS..EExtended strand (participates in β ladder)trans-127.9143.5169.649.5164.1000109.3F38 F58 E95 V96 L98 V101F38-I53 HydrophobicContact CD1-CG2 3.98Å; F38-I53 HydrophobicContact CE1-CG2 3.84Å; I53-F58 HydrophobicContact CD1-CB 3.95Å; I53-F58 HydrophobicContact CD1-CD2 4.04Å; I53-E95 WeakPolarHBondContact O-CA 3.39Å; I53-V96 HydrophobicContact CD1-CG2 4.13Å; I53-V96 HydrophobicContact CG1-CG2 3.72Å; I53-V96 PolarHBondContact N-O 3.47Å; I53-V96 PolarHBondContact O-N 3.29Å; I53-L98 HydrophobicContact CD1-CD1 3.74Å; I53-L98 HydrophobicContact CG1-CB 4.26Å; I53-L98 HydrophobicContact CG1-CD1 4.26Å; I53-L98 HydrophobicContact CG2-CB 4.13Å; I53-L98 HydrophobicContact CG2-CD1 4.06Å; I53-L98 HydrophobicContact CG2-CD2 4.27Å; I53-L98 HydrophobicContact CG2-CG 4.38Å; I53-V101 HydrophobicContact CD1-CG2 4.41Å
54N87.9Confident83.7Confident46 Ų4649.7 Ų49.725%0.24625%0.249CC..EExtended strand (participates in β ladder)trans-81.2175.6172.962.816.7000111.4E56 G57 F58N54-E56 PolarHBondContact O-N 3.13Å; N54-E56 PolarHBondContact OD1-N 3.14Å; N54-G57 WeakPolarHBondContact O-CA 3.22Å; N54-G57 PolarHBondContact O-N 2.88Å; N54-G57 PolarHBondContact OD1-N 3.2Å; N54-F58 PolarHBondContact O-N 2.7Å
55E85.9Confident83.2Confident73 Ų7348.9 Ų48.934%0.34125%0.245SC..Hα-helixtrans-56.4-36.5-178.8-172.2172.3-175.800112.4F58 R59 Q76 F79E55-F58 PolarHBondContact O-N 2.87Å; E55-R59 WeakPolarHBondContact O-CB 3.23Å; E55-R59 PolarHBondContact O-N 2.66Å; E55-Q76 WeakPolarHBondContact OE1-CG 3.3Å; E55-Q76 PolarHBondContact OE1-NE2 2.86Å; E55-F79 HydrophobicContact CB-CD1 4Å; E55-F79 HydrophobicContact CB-CD2 4.48Å; E55-F79 HydrophobicContact CB-CE1 3.76Å; E55-F79 HydrophobicContact CB-CE2 4.23Å; E55-F79 HydrophobicContact CB-CG 4.34Å; E55-F79 HydrophobicContact CB-CZ 3.88Å; E55-F79 HydrophobicContact CG-CD1 3.99Å; E55-F79 HydrophobicContact CG-CE1 4.28Å; E55-F79 HydrophobicContact CG-CG 4.18Å; E55-F79 VanDerWaalsContact N-CZ 3.3Å
56E86.4Confident82.7Confident64 Ų6447.8 Ų47.830%0.29923%0.234SC..Hα-helixtrans-68.1-44.1175.7-177.355.8-148.900111.7N54 F58 R59 Q60N54-E56 PolarHBondContact O-N 3.13Å; N54-E56 PolarHBondContact OD1-N 3.14Å; E56-F58 VanDerWaalsContact C-N 3.31Å; E56-F58 PolarHBondContact O-N 3.29Å; E56-R59 WeakPolarHBondContact O-CB 3.2Å; E56-R59 PolarHBondContact O-N 2.93Å; E56-R59 IonicContact OE1-CZ 3.78Å; E56-R59 IonicContact OE1-NE 3.56Å; E56-R59 PolarHBondContact OE1-NE 3.14Å; E56-R59 IonicContact OE1-NH2 3.78Å; E56-R59 PolarHBondContact OE1-NH2 2.81Å; E56-R59 IonicContact OE2-CZ 3.39Å; E56-R59 IonicContact OE2-NE 3.16Å; E56-R59 PolarHBondContact OE2-NE 2.67Å; E56-R59 IonicContact OE2-NH2 3.67Å; E56-R59 PolarHBondContact OE2-NH2 2.98Å; E56-Q60 WeakPolarHBondContact O-CG 3.29Å; E56-Q60 PolarHBondContact O-N 2.8Å; E56-Q60 PolarHBondContact OE1-NE2 2.79Å
57G87.1Confident82.1Confident0 Ų045.6 Ų45.60%022%0.224CC..Hα-helixtrans-59.8-41173.500000112.5F38 N54 Q60 F61F38-G57 WeakPolarHBondContact CZ-O 3.42Å; N54-G57 WeakPolarHBondContact O-CA 3.22Å; N54-G57 PolarHBondContact O-N 2.88Å; N54-G57 PolarHBondContact OD1-N 3.2Å; G57-Q60 PolarHBondContact O-N 2.8Å; G57-F61 WeakPolarHBondContact O-CB 3.11Å; G57-F61 PolarHBondContact O-N 3.44Å
58F87.3Confident81.4Confident0 Ų044.9 Ų44.90%022%0.222CC..Hα-helixtrans-64.9-40.1175-174.8-97.9000112.5I53 N54 E55 E56 F61 L62 L78 F79 F82 V96 V101I53-F58 HydrophobicContact CD1-CB 3.95Å; I53-F58 HydrophobicContact CD1-CD2 4.04Å; N54-F58 PolarHBondContact O-N 2.7Å; E55-F58 PolarHBondContact O-N 2.87Å; E56-F58 VanDerWaalsContact C-N 3.31Å; E56-F58 PolarHBondContact O-N 3.29Å; F58-F61 WeakPolarHBondContact O-CB 3.46Å; F58-F61 PolarHBondContact O-N 2.71Å; F58-L62 HydrophobicContact CD1-CD1 3.91Å; F58-L62 HydrophobicContact CD1-CG 4.3Å; F58-L62 HydrophobicContact CE1-CD1 3.41Å; F58-L62 VanDerWaalsContact CE1-CD1 3.41Å; F58-L62 HydrophobicContact CE1-CG 4.01Å; F58-L62 HydrophobicContact CZ-CD1 4.04Å; F58-L62 HydrophobicContact CZ-CG 4.34Å; F58-L62 WeakPolarHBondContact O-CG 3.49Å; F58-L62 PolarHBondContact O-N 3.04Å; F58-L78 HydrophobicContact CE1-CB 3.87Å; F58-L78 HydrophobicContact CZ-CB 3.9Å; F58-F79 HydrophobicContact CB-CD2 3.43Å; F58-F79 VanDerWaalsContact CB-CD2 3.43Å; F58-F79 HydrophobicContact CB-CE2 3.75Å; F58-F79 HydrophobicContact CD1-CB 3.77Å; F58-F79 AromaticContact CD1-CD2 3.75Å; F58-F79 HydrophobicContact CD1-CD2 3.75Å; F58-F79 HydrophobicContact CD1-CG 4.24Å; F58-F79 AromaticContact CD2-CD2 3.95Å; F58-F79 HydrophobicContact CD2-CD2 3.95Å; F58-F79 HydrophobicContact CE1-CB 3.89Å; F58-F79 HydrophobicContact CE1-CD2 4.45Å; F58-F79 HydrophobicContact CG-CB 4.35Å; F58-F79 AromaticContact CG-CD2 3.46Å; F58-F79 HydrophobicContact CG-CD2 3.46Å; F58-F79 VanDerWaalsContact CG-CD2 3.46Å; F58-F79 HydrophobicContact CG-CE2 4.22Å; F58-F79 HydrophobicContact CG-CG 4.38Å; F58-F82 AromaticContact CE2-CD2 3.74Å; F58-F82 HydrophobicContact CE2-CD2 3.74Å; F58-F82 AromaticContact CE2-CE2 3.86Å; F58-F82 HydrophobicContact CE2-CE2 3.86Å; F58-F82 AromaticContact CZ-CD2 3.9Å; F58-F82 HydrophobicContact CZ-CD2 3.9Å; F58-F82 AromaticContact CZ-CE2 3.86Å; F58-F82 HydrophobicContact CZ-CE2 3.86Å; F58-V96 HydrophobicContact CD2-CG2 4.1Å; F58-V101 HydrophobicContact CD2-CB 4.36Å; F58-V101 HydrophobicContact CD2-CG1 3.76Å; F58-V101 HydrophobicContact CD2-CG2 3.68Å; F58-V101 HydrophobicContact CE2-CB 4.11Å; F58-V101 HydrophobicContact CE2-CG1 3.45Å; F58-V101 VanDerWaalsContact CE2-CG1 3.45Å; F58-V101 HydrophobicContact CE2-CG2 3.52Å
59R87.3Confident80.8Confident123 Ų12346.4 Ų46.446%0.46424%0.237SC..Hα-helixtrans-62.7-42.3173.5-172.5176.569.5129.9-2.4111.8E55 E56 L62 K63E55-R59 WeakPolarHBondContact O-CB 3.23Å; E55-R59 PolarHBondContact O-N 2.66Å; E56-R59 WeakPolarHBondContact O-CB 3.2Å; E56-R59 PolarHBondContact O-N 2.93Å; E56-R59 IonicContact OE1-CZ 3.78Å; E56-R59 IonicContact OE1-NE 3.56Å; E56-R59 PolarHBondContact OE1-NE 3.14Å; E56-R59 IonicContact OE1-NH2 3.78Å; E56-R59 PolarHBondContact OE1-NH2 2.81Å; E56-R59 IonicContact OE2-CZ 3.39Å; E56-R59 IonicContact OE2-NE 3.16Å; E56-R59 PolarHBondContact OE2-NE 2.67Å; E56-R59 IonicContact OE2-NH2 3.67Å; E56-R59 PolarHBondContact OE2-NH2 2.98Å; R59-L62 PolarHBondContact O-N 2.86Å; R59-K63 VanDerWaalsContact O-CB 3.29Å; R59-K63 WeakPolarHBondContact O-CB 3.23Å; R59-K63 PolarHBondContact O-N 3.21Å
60Q86.6Confident80.2Confident44 Ų4443.1 Ų43.121%0.20622%0.221CC..Hα-helixtrans-67.9-36.1175.6-64.8-55.5-26.700112.2L44 E56 G57 K63 T64L44-Q60 HydrophobicContact CD1-CB 4.07Å; L44-Q60 HydrophobicContact CD2-CB 3.84Å; L44-Q60 HydrophobicContact CD2-CG 4.18Å; E56-Q60 WeakPolarHBondContact O-CG 3.29Å; E56-Q60 PolarHBondContact O-N 2.8Å; E56-Q60 PolarHBondContact OE1-NE2 2.79Å; G57-Q60 PolarHBondContact O-N 2.8Å; Q60-K63 PolarHBondContact O-N 2.79Å; Q60-T64 VanDerWaalsContact O-CB 3.26Å; Q60-T64 WeakPolarHBondContact O-CB 3.28Å; Q60-T64 PolarHBondContact O-N 3.44Å; Q60-T64 PolarHBondContact O-OG1 3.4Å
61F87.3Confident80Confident0 Ų042.1 Ų42.10%020%0.204CC..Hα-helixtrans-57.8-53.8171.2177-83.7000110.4V31 V34 F38 G57 F58 K63 T64 Y65 L98 V101 F105V31-F61 HydrophobicContact CG1-CE2 4.34Å; V31-F61 HydrophobicContact CG1-CZ 4.09Å; V31-F61 HydrophobicContact CG2-CZ 4.44Å; V34-F61 HydrophobicContact CB-CE2 4.45Å; V34-F61 HydrophobicContact CG1-CD2 3.74Å; V34-F61 HydrophobicContact CG1-CE2 3.96Å; V34-F61 HydrophobicContact CG1-CG 4.34Å; F38-F61 HydrophobicContact CE2-CB 3.94Å; F38-F61 AromaticContact CE2-CD2 3.91Å; F38-F61 HydrophobicContact CE2-CD2 3.91Å; F38-F61 HydrophobicContact CE2-CG 4.43Å; F38-F61 HydrophobicContact CZ-CB 3.82Å; F38-F61 HydrophobicContact CZ-CD2 4.5Å; G57-F61 WeakPolarHBondContact O-CB 3.11Å; G57-F61 PolarHBondContact O-N 3.44Å; F58-F61 WeakPolarHBondContact O-CB 3.46Å; F58-F61 PolarHBondContact O-N 2.71Å; F61-K63 PolarHBondContact O-N 2.83Å; F61-T64 PolarHBondContact O-N 2.95Å; F61-Y65 WeakPolarHBondContact O-CB 3.31Å; F61-Y65 PolarHBondContact O-N 3.36Å; F61-L98 HydrophobicContact CD2-CD1 3.98Å; F61-L98 HydrophobicContact CE2-CD1 4.33Å; F61-V101 HydrophobicContact CD1-CG1 3.78Å; F61-V101 HydrophobicContact CE1-CG1 3.69Å; F61-V101 HydrophobicContact CG-CG1 4.28Å; F61-V101 HydrophobicContact CZ-CG1 4.07Å; F61-F105 HydrophobicContact CE1-CB 4.41Å; F61-F105 AromaticContact CE1-CD2 3.58Å; F61-F105 HydrophobicContact CE1-CD2 3.58Å; F61-F105 HydrophobicContact CE1-CE2 4.11Å; F61-F105 HydrophobicContact CE1-CG 4.02Å; F61-F105 HydrophobicContact CZ-CB 4.45Å; F61-F105 HydrophobicContact CZ-CD2 4.27Å
62L80.3Confident80.1Confident0 Ų042.5 Ų42.50%021%0.214CC..Hα-helixtrans-62.8-41.4179.8-70.5-177.9000112.5F58 R59 T64 L66 F70 C75 L78 F105F58-L62 HydrophobicContact CD1-CD1 3.91Å; F58-L62 HydrophobicContact CD1-CG 4.3Å; F58-L62 HydrophobicContact CE1-CD1 3.41Å; F58-L62 VanDerWaalsContact CE1-CD1 3.41Å; F58-L62 HydrophobicContact CE1-CG 4.01Å; F58-L62 HydrophobicContact CZ-CD1 4.04Å; F58-L62 HydrophobicContact CZ-CG 4.34Å; F58-L62 WeakPolarHBondContact O-CG 3.49Å; F58-L62 PolarHBondContact O-N 3.04Å; R59-L62 PolarHBondContact O-N 2.86Å; L62-T64 VanDerWaalsContact C-N 3.35Å; L62-L66 HydrophobicContact CB-CD1 4.46Å; L62-L66 HydrophobicContact CD2-CD1 4.45Å; L62-L66 WeakPolarHBondContact O-CA 3.35Å; L62-L66 WeakPolarHBondContact O-CB 3.1Å; L62-L66 VanDerWaalsContact O-CG 3.23Å; L62-L66 WeakPolarHBondContact O-CG 3.35Å; L62-L66 PolarHBondContact O-N 3.21Å; L62-F70 HydrophobicContact CD1-CD1 3.75Å; L62-F70 HydrophobicContact CD1-CE1 3.87Å; L62-F70 HydrophobicContact CD1-CG 4.45Å; L62-C75 HydrophobicContact CD1-CB 4.42Å; L62-L78 HydrophobicContact CD1-CD1 4.39Å; L62-F105 HydrophobicContact CD2-CE1 3.85Å; L62-F105 HydrophobicContact CD2-CE2 3.52Å; L62-F105 HydrophobicContact CD2-CZ 3.12Å
63K80.6Confident79.8Confident92 Ų9247 Ų4740%0.424%0.237SC..Hα-helixtrans-63.9-41.9178.2-179.1170.9178.5141.20112R59 Q60 F61 E67 D69R59-K63 VanDerWaalsContact O-CB 3.29Å; R59-K63 WeakPolarHBondContact O-CB 3.23Å; R59-K63 PolarHBondContact O-N 3.21Å; Q60-K63 PolarHBondContact O-N 2.79Å; F61-K63 PolarHBondContact O-N 2.83Å; K63-E67 WeakPolarHBondContact O-CA 3.44Å; K63-E67 PolarHBondContact O-N 3.07Å; K63-E67 VanDerWaalsContact O-N 3.08Å; K63-D69 WeakPolarHBondContact CE-OD1 3.41Å; K63-D69 IonicContact NZ-OD1 2.69Å; K63-D69 PolarHBondContact NZ-OD1 3.27Å
64T80.1Confident78.9Confident34 Ų3447 Ų4721%0.20924%0.237CC..Hα-helixtrans-70.9-45.6179.1-53.90000110.4L29 V34 Q60 F61 L62L29-T64 WeakPolarHBondContact CD1-O 3.3Å; V34-T64 HydrophobicContact CG1-CG2 4.06Å; V34-T64 HydrophobicContact CG2-CG2 4.24Å; Q60-T64 VanDerWaalsContact O-CB 3.26Å; Q60-T64 WeakPolarHBondContact O-CB 3.28Å; Q60-T64 PolarHBondContact O-N 3.44Å; Q60-T64 PolarHBondContact O-OG1 3.4Å; F61-T64 PolarHBondContact O-N 2.95Å; L62-T64 VanDerWaalsContact C-N 3.35Å
65Y75.8Confident78.4Confident2 Ų245.1 Ų45.11%0.00823%0.227CC..Hα-helixtrans-66.6-44.9179.9-178.1-117.4000113.2I24 C27 V31 V34 F61 E67 F105 E109I24-Y65 HydrophobicContact CD1-CE1 4.43Å; I24-Y65 HydrophobicContact CG1-CE1 3.99Å; I24-Y65 HydrophobicContact CG2-CE1 4.41Å; C27-Y65 PolarHBondContact SG-O 2.92Å; V31-Y65 HydrophobicContact CB-CE2 4.43Å; V31-Y65 HydrophobicContact CG2-CD2 4.04Å; V31-Y65 HydrophobicContact CG2-CE2 3.54Å; V34-Y65 HydrophobicContact CG2-CD2 3.87Å; V34-Y65 HydrophobicContact CG2-CG 4.34Å; F61-Y65 WeakPolarHBondContact O-CB 3.31Å; F61-Y65 PolarHBondContact O-N 3.36Å; Y65-E67 VanDerWaalsContact C-N 3.33Å; Y65-F105 AromaticContact CD1-CD1 3.69Å; Y65-F105 HydrophobicContact CD1-CD1 3.69Å; Y65-F105 HydrophobicContact CD1-CE1 4.15Å; Y65-F105 HydrophobicContact CD1-CG 4.23Å; Y65-F105 HydrophobicContact CE1-CB 4.06Å; Y65-F105 AromaticContact CE1-CD1 3.33Å; Y65-F105 HydrophobicContact CE1-CD1 3.33Å; Y65-F105 HydrophobicContact CE1-CE1 4.07Å; Y65-F105 AromaticContact CE1-CG 4Å; Y65-F105 HydrophobicContact CE1-CG 4Å; Y65-E109 WeakPolarHBondContact OH-CG 3.31Å; Y65-E109 PolarHBondContact OH-OE1 3.01Å
66L72.3Confident78.1Confident6 Ų644.7 Ų44.73%0.03123%0.225CC..Hα-helixtrans-84.3-10.3-176.3-56.8177.4000113.5L20 Y23 I24 C27 L62 V68 F70L20-L66 HydrophobicContact CD1-CD1 4.19Å; Y23-L66 HydrophobicContact CG-CD1 4.46Å; I24-L66 HydrophobicContact CG1-CD2 3.84Å; C27-L66 VanDerWaalsContact SG-CA 3.57Å; C27-L66 VanDerWaalsContact SG-CD2 3.55Å; L62-L66 HydrophobicContact CB-CD1 4.46Å; L62-L66 HydrophobicContact CD2-CD1 4.45Å; L62-L66 WeakPolarHBondContact O-CA 3.35Å; L62-L66 WeakPolarHBondContact O-CB 3.1Å; L62-L66 VanDerWaalsContact O-CG 3.23Å; L62-L66 WeakPolarHBondContact O-CG 3.35Å; L62-L66 PolarHBondContact O-N 3.21Å; L66-V68 HydrophobicContact CB-CG2 3.88Å; L66-V68 WeakPolarHBondContact O-CG2 3.45Å; L66-V68 PolarHBondContact O-N 2.81Å; L66-F70 HydrophobicContact CD1-CB 4.48Å; L66-F70 HydrophobicContact CD1-CD2 3.25Å; L66-F70 HydrophobicContact CD1-CE2 3.56Å; L66-F70 HydrophobicContact CD1-CG 3.99Å; L66-F70 HydrophobicContact CD1-CZ 4.49Å
67E69.9Low77.3Confident97 Ų9744.3 Ų44.345%0.45322%0.221SC..SBendtrans54.720.2-177.4-57.618092.100113.7S28 L29 K63 Y65S28-E67 VanDerWaalsContact CB-OE2 3.32Å; S28-E67 WeakPolarHBondContact CB-OE2 3.24Å; S28-E67 PolarHBondContact N-OE2 3.41Å; S28-E67 VanDerWaalsContact OG-CD 3.23Å; S28-E67 PolarHBondContact OG-OE1 3.31Å; S28-E67 PolarHBondContact OG-OE2 3.34Å; L29-E67 HydrophobicContact CD1-CG 4.03Å; L29-E67 HydrophobicContact CG-CG 4.39Å; K63-E67 WeakPolarHBondContact O-CA 3.44Å; K63-E67 PolarHBondContact O-N 3.07Å; K63-E67 VanDerWaalsContact O-N 3.08Å; Y65-E67 VanDerWaalsContact C-N 3.33Å
68V66.9Low76.4Confident15 Ų1544.3 Ų44.39%0.09122%0.221CC..SBendtrans-144.3156.3-176.8-59.50000111.4Y23 L66 F70 K546Y23-V68 HydrophobicContact CD1-CG2 3.48Å; Y23-V68 VanDerWaalsContact CD1-CG2 3.48Å; Y23-V68 HydrophobicContact CE1-CG2 3.51Å; L66-V68 HydrophobicContact CB-CG2 3.88Å; L66-V68 WeakPolarHBondContact O-CG2 3.45Å; L66-V68 PolarHBondContact O-N 2.81Å; V68-F70 PolarHBondContact O-N 3.31Å; V68-K546 WeakPolarHBondContact CG1-O 3.28Å
69D69.4Low76Confident120 Ų12044.4 Ų44.464%0.64222%0.221SC*.PPolyproline II helixtrans-68.9117.8170.8-71.3-41.4000109.9K63K63-D69 WeakPolarHBondContact CE-OD1 3.41Å; K63-D69 IonicContact NZ-OD1 2.69Å; K63-D69 PolarHBondContact NZ-OD1 3.27Å
70F69.6Low75.3Confident22 Ų2243.2 Ų43.210%0.09622%0.217CC..PPolyproline II helixtrans-93.3136.9-175.8-165.3-105.8000110.6L20 Y23 L62 L66 V68 L74 C75 L78L20-F70 HydrophobicContact CD1-CE2 3.69Å; L20-F70 HydrophobicContact CD1-CZ 3.63Å; Y23-F70 HydrophobicContact CD2-CD2 4.05Å; Y23-F70 AromaticContact CD2-CE2 3.67Å; Y23-F70 HydrophobicContact CD2-CE2 3.67Å; Y23-F70 HydrophobicContact CE2-CD2 4.13Å; Y23-F70 AromaticContact CE2-CE2 3.97Å; Y23-F70 HydrophobicContact CE2-CE2 3.97Å; Y23-F70 HydrophobicContact CG-CD2 4.39Å; Y23-F70 HydrophobicContact CG-CE2 4.29Å; L62-F70 HydrophobicContact CD1-CD1 3.75Å; L62-F70 HydrophobicContact CD1-CE1 3.87Å; L62-F70 HydrophobicContact CD1-CG 4.45Å; L66-F70 HydrophobicContact CD1-CB 4.48Å; L66-F70 HydrophobicContact CD1-CD2 3.25Å; L66-F70 HydrophobicContact CD1-CE2 3.56Å; L66-F70 HydrophobicContact CD1-CG 3.99Å; L66-F70 HydrophobicContact CD1-CZ 4.49Å; V68-F70 PolarHBondContact O-N 3.31Å; F70-L74 HydrophobicContact CE1-CB 3.86Å; F70-L74 HydrophobicContact CE1-CD2 3.8Å; F70-L74 HydrophobicContact CE1-CG 3.48Å; F70-L74 VanDerWaalsContact CE1-CG 3.48Å; F70-L74 HydrophobicContact CE2-CD2 3.86Å; F70-L74 HydrophobicContact CE2-CG 4.44Å; F70-L74 HydrophobicContact CZ-CB 4.21Å; F70-L74 HydrophobicContact CZ-CD2 3.25Å; F70-L74 HydrophobicContact CZ-CG 3.4Å; F70-L74 VanDerWaalsContact CZ-CG 3.4Å; F70-C75 HydrophobicContact CD1-CB 3.87Å; F70-C75 HydrophobicContact CE1-CB 4.32Å; F70-L78 HydrophobicContact CE1-CD1 3.6Å; F70-L78 HydrophobicContact CZ-CD1 3.56Å
71P76.4Confident74.2Confident39 Ų3943.8 Ų43.825%0.25323%0.226SC..PPolyproline II helixtrans-56.1124.9-175.2-24.232.9000111.8D73 L74 C75P71-D73 VanDerWaalsContact C-N 3.29Å; P71-D73 PolarHBondContact O-N 3.32Å; P71-L74 HydrophobicContact CB-CB 4Å; P71-L74 WeakPolarHBondContact O-CB 3.46Å; P71-L74 PolarHBondContact O-N 2.96Å; P71-C75 PolarHBondContact O-N 3.39Å
72P75.9Confident73.1Confident98 Ų9844.6 Ų44.664%0.63623%0.229SC*.Hα-helixtrans-57.1-40.8-174.5-27.334.4000113.4L74 C75 Q76P72-L74 VanDerWaalsContact C-N 3.29Å; P72-L74 PolarHBondContact O-N 2.94Å; P72-C75 WeakPolarHBondContact O-CB 3.43Å; P72-C75 PolarHBondContact O-N 2.99Å; P72-Q76 WeakPolarHBondContact O-CB 3.3Å; P72-Q76 PolarHBondContact O-N 2.64Å
73D74.7Confident72.7Confident111 Ų11147.1 Ų47.159%0.59424%0.241SC*.Hα-helixtrans-63.7-36.7178.6-58.5-46.8000112P71 R77P71-D73 VanDerWaalsContact C-N 3.29Å; P71-D73 PolarHBondContact O-N 3.32Å; D73-R77 WeakPolarHBondContact O-CG 3.39Å; D73-R77 PolarHBondContact O-N 3.33Å; D73-R77 VanDerWaalsContact O-N 3.17Å; D73-R77 PolarHBondContact O-NH1 3.12Å
74L68.8Low71.5Confident2 Ų249 Ų491%0.0126%0.256CS..Hα-helixtrans-75.1-39.3177.9-178.756.9000111.2D16 Q19 F70 P71 P72 Q76 R77 L78D16-L74 HydrophobicContact CB-CD1 3.27Å; D16-L74 VanDerWaalsContact CG-CD1 3.45Å; Q19-L74 HydrophobicContact CB-CD2 4.45Å; Q19-L74 HydrophobicContact CG-CD2 4.01Å; F70-L74 HydrophobicContact CE1-CB 3.86Å; F70-L74 HydrophobicContact CE1-CD2 3.8Å; F70-L74 HydrophobicContact CE1-CG 3.48Å; F70-L74 VanDerWaalsContact CE1-CG 3.48Å; F70-L74 HydrophobicContact CE2-CD2 3.86Å; F70-L74 HydrophobicContact CE2-CG 4.44Å; F70-L74 HydrophobicContact CZ-CB 4.21Å; F70-L74 HydrophobicContact CZ-CD2 3.25Å; F70-L74 HydrophobicContact CZ-CG 3.4Å; F70-L74 VanDerWaalsContact CZ-CG 3.4Å; P71-L74 HydrophobicContact CB-CB 4Å; P71-L74 WeakPolarHBondContact O-CB 3.46Å; P71-L74 PolarHBondContact O-N 2.96Å; P72-L74 VanDerWaalsContact C-N 3.29Å; P72-L74 PolarHBondContact O-N 2.94Å; L74-Q76 VanDerWaalsContact C-N 3.3Å; L74-Q76 PolarHBondContact O-N 3.24Å; L74-R77 PolarHBondContact O-N 3.14Å; L74-L78 HydrophobicContact CD1-CD1 4.49Å; L74-L78 HydrophobicContact CG-CD1 4.32Å; L74-L78 WeakPolarHBondContact O-CB 3.29Å; L74-L78 PolarHBondContact O-N 2.89Å
75C78.4Confident69.7Low6 Ų652.4 Ų52.44%0.04128%0.28CS..Hα-helixtrans-55.6-47.7172.8-171.20000110.7L62 F70 P71 P72 L78 F79L62-C75 HydrophobicContact CD1-CB 4.42Å; F70-C75 HydrophobicContact CD1-CB 3.87Å; F70-C75 HydrophobicContact CE1-CB 4.32Å; P71-C75 PolarHBondContact O-N 3.39Å; P72-C75 WeakPolarHBondContact O-CB 3.43Å; P72-C75 PolarHBondContact O-N 2.99Å; C75-L78 PolarHBondContact O-N 3.21Å; C75-F79 WeakPolarHBondContact O-CB 3.39Å; C75-F79 PolarHBondContact O-N 3.1Å
76Q78.6Confident68.1Low63 Ų6360.5 Ų60.529%0.29432%0.319SS..Hα-helixtrans-68.3-38.8-178.5-177.1166.868.500112.4E55 P72 L74 F79 R80E55-Q76 WeakPolarHBondContact OE1-CG 3.3Å; E55-Q76 PolarHBondContact OE1-NE2 2.86Å; P72-Q76 WeakPolarHBondContact O-CB 3.3Å; P72-Q76 PolarHBondContact O-N 2.64Å; L74-Q76 VanDerWaalsContact C-N 3.3Å; L74-Q76 PolarHBondContact O-N 3.24Å; Q76-F79 PolarHBondContact O-N 3.36Å; Q76-R80 VanDerWaalsContact CD-NH2 3.35Å; Q76-R80 VanDerWaalsContact O-CG 3.31Å; Q76-R80 WeakPolarHBondContact O-CG 3.44Å; Q76-R80 PolarHBondContact O-N 2.99Å
77R70.4Confident66.5Low57 Ų5766.5 Ų66.522%0.21536%0.358CS..Hα-helixtrans-63.5-44.6173.1-74-168.9-61.9-79.46.2111.6K10 L12 D16 D73 L74 R80 S81K10-R77 WeakPolarHBondContact O-CD 3.43Å; L12-R77 VanDerWaalsContact CD1-C 3.48Å; L12-R77 HydrophobicContact CD1-CB 4.29Å; L12-R77 WeakPolarHBondContact CD1-O 3.46Å; L12-R77 HydrophobicContact CG-CB 4.4Å; D16-R77 VanDerWaalsContact CG-NH2 3.32Å; D16-R77 IonicContact OD1-CZ 3.76Å; D16-R77 IonicContact OD1-NE 2.59Å; D16-R77 IonicContact OD1-NH2 3.7Å; D16-R77 PolarHBondContact OD1-NH2 2.85Å; D16-R77 IonicContact OD2-CZ 3.15Å; D16-R77 IonicContact OD2-NE 3.22Å; D16-R77 PolarHBondContact OD2-NE 3.39Å; D16-R77 IonicContact OD2-NH2 3.96Å; D16-R77 PolarHBondContact OD2-NH2 3.35Å; D73-R77 WeakPolarHBondContact O-CG 3.39Å; D73-R77 PolarHBondContact O-N 3.33Å; D73-R77 VanDerWaalsContact O-N 3.17Å; D73-R77 PolarHBondContact O-NH1 3.12Å; L74-R77 PolarHBondContact O-N 3.14Å; R77-R80 PolarHBondContact O-N 3.41Å; R77-S81 PolarHBondContact O-N 2.85Å; R77-S81 VanDerWaalsContact O-N 3.08Å
78L67.4Low64.9Low0 Ų067.9 Ų67.90%037%0.373CS..Hα-helixtrans-60.3-47.9174.6-79.9167.5000111.9L12 L20 F58 L62 F70 L74 C75 R80 S81 F82L12-L78 HydrophobicContact CD1-CB 4.17Å; L12-L78 HydrophobicContact CD1-CD2 3.52Å; L12-L78 HydrophobicContact CD1-CG 3.78Å; L12-L78 HydrophobicContact CD2-CD2 3.77Å; L12-L78 HydrophobicContact CD2-CG 4.29Å; L12-L78 HydrophobicContact CG-CD2 4.26Å; L12-L78 HydrophobicContact CG-CG 4.5Å; L20-L78 HydrophobicContact CD1-CD1 3.87Å; L20-L78 HydrophobicContact CD2-CD1 3.91Å; L20-L78 HydrophobicContact CD2-CD2 3.82Å; L20-L78 HydrophobicContact CG-CD1 4.41Å; F58-L78 HydrophobicContact CE1-CB 3.87Å; F58-L78 HydrophobicContact CZ-CB 3.9Å; L62-L78 HydrophobicContact CD1-CD1 4.39Å; F70-L78 HydrophobicContact CE1-CD1 3.6Å; F70-L78 HydrophobicContact CZ-CD1 3.56Å; L74-L78 HydrophobicContact CD1-CD1 4.49Å; L74-L78 HydrophobicContact CG-CD1 4.32Å; L74-L78 WeakPolarHBondContact O-CB 3.29Å; L74-L78 PolarHBondContact O-N 2.89Å; C75-L78 PolarHBondContact O-N 3.21Å; L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 2.89Å; L78-S81 WeakPolarHBondContact O-CB 3.43Å; L78-S81 PolarHBondContact O-N 3.16Å; L78-S81 PolarHBondContact O-OG 3.32Å; L78-F82 WeakPolarHBondContact O-CD2 3.28Å; L78-F82 PolarHBondContact O-N 3.13Å
79F79.1Confident63.8Low1 Ų175.9 Ų75.90%0.00441%0.409CS..Hα-helixtrans-54.5-48.9176.7-175.2-107.6000111.9E55 F58 C75 Q76 S81 F82 K94 V96E55-F79 HydrophobicContact CB-CD1 4Å; E55-F79 HydrophobicContact CB-CD2 4.48Å; E55-F79 HydrophobicContact CB-CE1 3.76Å; E55-F79 HydrophobicContact CB-CE2 4.23Å; E55-F79 HydrophobicContact CB-CG 4.34Å; E55-F79 HydrophobicContact CB-CZ 3.88Å; E55-F79 HydrophobicContact CG-CD1 3.99Å; E55-F79 HydrophobicContact CG-CE1 4.28Å; E55-F79 HydrophobicContact CG-CG 4.18Å; E55-F79 VanDerWaalsContact N-CZ 3.3Å; F58-F79 HydrophobicContact CB-CD2 3.43Å; F58-F79 VanDerWaalsContact CB-CD2 3.43Å; F58-F79 HydrophobicContact CB-CE2 3.75Å; F58-F79 HydrophobicContact CD1-CB 3.77Å; F58-F79 AromaticContact CD1-CD2 3.75Å; F58-F79 HydrophobicContact CD1-CD2 3.75Å; F58-F79 HydrophobicContact CD1-CG 4.24Å; F58-F79 AromaticContact CD2-CD2 3.95Å; F58-F79 HydrophobicContact CD2-CD2 3.95Å; F58-F79 HydrophobicContact CE1-CB 3.89Å; F58-F79 HydrophobicContact CE1-CD2 4.45Å; F58-F79 HydrophobicContact CG-CB 4.35Å; F58-F79 AromaticContact CG-CD2 3.46Å; F58-F79 HydrophobicContact CG-CD2 3.46Å; F58-F79 VanDerWaalsContact CG-CD2 3.46Å; F58-F79 HydrophobicContact CG-CE2 4.22Å; F58-F79 HydrophobicContact CG-CG 4.38Å; C75-F79 WeakPolarHBondContact O-CB 3.39Å; C75-F79 PolarHBondContact O-N 3.1Å; Q76-F79 PolarHBondContact O-N 3.36Å; F79-S81 VanDerWaalsContact C-N 3.27Å; F79-S81 PolarHBondContact O-N 3.29Å; F79-F82 PolarHBondContact O-N 2.69Å; F79-F82 VanDerWaalsContact O-N 3.1Å; F79-K94 HydrophobicContact CE1-CB 4.23Å; F79-K94 WeakPolarHBondContact CE1-O 3.25Å; F79-K94 WeakPolarHBondContact CZ-O 3.49Å; F79-V96 HydrophobicContact CD2-CG1 3.84Å; F79-V96 HydrophobicContact CD2-CG2 3.91Å; F79-V96 HydrophobicContact CE1-CG1 4.38Å; F79-V96 HydrophobicContact CE2-CB 4.1Å; F79-V96 HydrophobicContact CE2-CG1 3.56Å; F79-V96 HydrophobicContact CE2-CG2 3.49Å; F79-V96 VanDerWaalsContact CE2-CG2 3.49Å; F79-V96 HydrophobicContact CG-CG1 4.42Å; F79-V96 HydrophobicContact CZ-CG1 3.83Å; F79-V96 HydrophobicContact CZ-CG2 4.38Å
80R72.2Confident62.6Low99 Ų9979.1 Ų79.137%0.37442%0.42SS..Hα-helixtrans-62-31.1177.8-71.6178.4-169.1-1797.4113.5Q76 R77 L78 F82 Q83Q76-R80 VanDerWaalsContact CD-NH2 3.35Å; Q76-R80 VanDerWaalsContact O-CG 3.31Å; Q76-R80 WeakPolarHBondContact O-CG 3.44Å; Q76-R80 PolarHBondContact O-N 2.99Å; R77-R80 PolarHBondContact O-N 3.41Å; L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 2.89Å; R80-F82 PolarHBondContact O-N 3.12Å; R80-Q83 WeakPolarHBondContact O-CB 3.38Å; R80-Q83 PolarHBondContact O-N 3.2Å; R80-Q83 VanDerWaalsContact O-N 3.11Å
81S63.3Low61.2Low55 Ų5585.4 Ų85.439%0.38546%0.455SS..Hα-helixtrans-67.4-20.7176.873.70000113.8R77 L78 F79R77-S81 PolarHBondContact O-N 2.85Å; R77-S81 VanDerWaalsContact O-N 3.08Å; L78-S81 WeakPolarHBondContact O-CB 3.43Å; L78-S81 PolarHBondContact O-N 3.16Å; L78-S81 PolarHBondContact O-OG 3.32Å; F79-S81 VanDerWaalsContact C-N 3.27Å; F79-S81 PolarHBondContact O-N 3.29Å
82F65.1Low59.6Low18 Ų1890.9 Ų90.98%0.07948%0.482CS..THydrogen-bonded Turntrans-90-2.1173.8-69.3-77.5000113.3F58 L78 F79 R80 N84 V96 D100 V101 Y104F58-F82 AromaticContact CE2-CD2 3.74Å; F58-F82 HydrophobicContact CE2-CD2 3.74Å; F58-F82 AromaticContact CE2-CE2 3.86Å; F58-F82 HydrophobicContact CE2-CE2 3.86Å; F58-F82 AromaticContact CZ-CD2 3.9Å; F58-F82 HydrophobicContact CZ-CD2 3.9Å; F58-F82 AromaticContact CZ-CE2 3.86Å; F58-F82 HydrophobicContact CZ-CE2 3.86Å; L78-F82 WeakPolarHBondContact O-CD2 3.28Å; L78-F82 PolarHBondContact O-N 3.13Å; F79-F82 PolarHBondContact O-N 2.69Å; F79-F82 VanDerWaalsContact O-N 3.1Å; R80-F82 PolarHBondContact O-N 3.12Å; F82-N84 PolarHBondContact O-N 3.04Å; F82-N84 VanDerWaalsContact O-N 3.13Å; F82-V96 HydrophobicContact CB-CB 3.9Å; F82-V96 HydrophobicContact CB-CG1 3.66Å; F82-D100 HydrophobicContact CD1-CB 4.17Å; F82-V101 HydrophobicContact CB-CG2 4.43Å; F82-V101 HydrophobicContact CD1-CG2 4.14Å; F82-V101 HydrophobicContact CD2-CG2 4.11Å; F82-V101 HydrophobicContact CE1-CG2 4.44Å; F82-V101 HydrophobicContact CE2-CG2 4.44Å; F82-V101 HydrophobicContact CG-CG2 3.97Å; F82-Y104 HydrophobicContact CE1-CD2 4.3Å; F82-Y104 AromaticContact CE1-CG 3.93Å; F82-Y104 HydrophobicContact CE1-CG 3.93Å; F82-Y104 VanDerWaalsContact CZ-CB 3.48Å; F82-Y104 AromaticContact CZ-CD1 3.67Å; F82-Y104 HydrophobicContact CZ-CD1 3.67Å; F82-Y104 HydrophobicContact CZ-CD2 4.06Å; F82-Y104 HydrophobicContact CZ-CE1 4.32Å; F82-Y104 AromaticContact CZ-CG 3.48Å; F82-Y104 HydrophobicContact CZ-CG 3.48Å; F82-Y104 VanDerWaalsContact CZ-CG 3.48Å
83Q71.3Confident58.6Low52 Ų5290.8 Ų90.824%0.24348%0.48CS..  trans-87.178.4179.2-57.9-166.6-69.900110.1R80 S85 V96R80-Q83 WeakPolarHBondContact O-CB 3.38Å; R80-Q83 PolarHBondContact O-N 3.2Å; R80-Q83 VanDerWaalsContact O-N 3.11Å; Q83-S85 PolarHBondContact O-N 3.44Å; Q83-V96 HydrophobicContact CG-CG1 3.7Å
84N55Low58.4Low133 Ų13391.6 Ų91.671%0.71148%0.478SS*.  trans-92.681.3175.6-80.8-19.8000111.3F82F82-N84 PolarHBondContact O-N 3.04Å; F82-N84 VanDerWaalsContact O-N 3.13Å
85S43.5Very low58.9Low104 Ų10494.2 Ų94.273%0.72749%0.491SS*.SBendtrans-151.5135.1161.224.60000110.4Q83Q83-S85 PolarHBondContact O-N 3.44Å
86E41.1Very low58.7Low173 Ų17394 Ų9481%0.80849%0.489SS*.  trans-49.5145.3165.7-73.6-166.9157.900109.8T88E86-T88 VanDerWaalsContact C-N 3.28Å; E86-T88 PolarHBondContact O-N 3.41Å
87P38.9Very low58.7Low131 Ų13194.8 Ų94.885%0.85149%0.492SS*.  trans-71.484.7-174.530-33.8000110Q89P87-Q89 PolarHBondContact O-N 3.39Å
88T37.3Very low59Low126 Ų12692.3 Ų92.377%0.77348%0.483SS*.  trans-73.8120.2161.443.70000107.9E86E86-T88 VanDerWaalsContact C-N 3.28Å; E86-T88 PolarHBondContact O-N 3.41Å
89Q43.6Very low58.9Low183 Ų18397 Ų9786%0.85550%0.503SS*.SBendtrans-55.1139.5178.3-75.6178.4-3000111.1P87P87-Q89 PolarHBondContact O-N 3.39Å
90E44.8Very low58.1Low188 Ų18899.5 Ų99.588%0.87952%0.517SS*.  trans7678.2165.6-60.3178.2174.300117.1
91D39Very low58.1Low154 Ų15494.8 Ų94.882%0.82450%0.499SS*.  -166.4144.8117.9-133-22.5000112.6T93D91-T93 VanDerWaalsContact C-N 3.25Å; D91-T93 PolarHBondContact O-N 2.85Å
92D44.1Very low58.3Low154 Ų15492.3 Ų92.382%0.82448%0.482SS*.  trans-84.433.9-166.3-157.419.5000114.1
93T53.1Low57.9Low97 Ų9791.5 Ų91.560%0.59548%0.478SS*.  trans-120.985173.7530000110.2D91 E95D91-T93 VanDerWaalsContact C-N 3.25Å; D91-T93 PolarHBondContact O-N 2.85Å; T93-E95 VanDerWaalsContact C-N 3.33Å; T93-E95 PolarHBondContact O-N 3.45Å
94K70.8Confident57.5Low128 Ų12891.1 Ų91.156%0.55747%0.474SS*.  trans-64.394.8166.3-81.9-172.6-173.6-178.30108.2F79F79-K94 HydrophobicContact CE1-CB 4.23Å; F79-K94 WeakPolarHBondContact CE1-O 3.25Å; F79-K94 WeakPolarHBondContact CZ-O 3.49Å
95E79.9Confident58.1Low57 Ų5784.8 Ų84.827%0.26644%0.441SS..EExtended strand (participates in β ladder)trans-113.3160.9177.1-57.2-166.6144.800111.3H49 C52 I53 T93H49-E95 IonicContact CE1-OE1 2.78Å; H49-E95 IonicContact CG-OE1 3.93Å; H49-E95 IonicContact ND1-OE1 3.93Å; H49-E95 PolarHBondContact ND1-OE1 2.87Å; C52-E95 HydrophobicContact CB-CB 3.98Å; C52-E95 WeakPolarHBondContact CB-OE2 3.49Å; I53-E95 WeakPolarHBondContact O-CA 3.39Å; T93-E95 VanDerWaalsContact C-N 3.33Å; T93-E95 PolarHBondContact O-N 3.45Å
96V75.3Confident59Low2 Ų280.5 Ų80.51%0.01241%0.411CS..EExtended strand (participates in β ladder)trans-131.3147.3173.6-59.60000109.1C52 I53 F58 F79 F82 Q83 L98 V101C52-V96 CarbonylContact C-O 3.54Å; C52-V96 VanDerWaalsContact CA-O 3.28Å; C52-V96 WeakPolarHBondContact CA-O 3.44Å; I53-V96 HydrophobicContact CD1-CG2 4.13Å; I53-V96 HydrophobicContact CG1-CG2 3.72Å; I53-V96 PolarHBondContact N-O 3.47Å; I53-V96 PolarHBondContact O-N 3.29Å; F58-V96 HydrophobicContact CD2-CG2 4.1Å; F79-V96 HydrophobicContact CD2-CG1 3.84Å; F79-V96 HydrophobicContact CD2-CG2 3.91Å; F79-V96 HydrophobicContact CE1-CG1 4.38Å; F79-V96 HydrophobicContact CE2-CB 4.1Å; F79-V96 HydrophobicContact CE2-CG1 3.56Å; F79-V96 HydrophobicContact CE2-CG2 3.49Å; F79-V96 VanDerWaalsContact CE2-CG2 3.49Å; F79-V96 HydrophobicContact CG-CG1 4.42Å; F79-V96 HydrophobicContact CZ-CG1 3.83Å; F79-V96 HydrophobicContact CZ-CG2 4.38Å; F82-V96 HydrophobicContact CB-CB 3.9Å; F82-V96 HydrophobicContact CB-CG1 3.66Å; Q83-V96 HydrophobicContact CG-CG1 3.7Å; V96-L98 PolarHBondContact O-N 2.81Å; V96-V101 HydrophobicContact CB-CG2 4.33Å; V96-V101 HydrophobicContact CG2-CG2 3.6Å
97F77.6Confident59.6Low78 Ų7874 Ų7434%0.34238%0.381SS..EExtended strand (participates in β ladder)trans-68.3125.1176.4-69.8-86.8000109.7E51 C52 K99 D100 V101E51-F97 HydrophobicContact CB-CD1 4.22Å; C52-F97 VanDerWaalsContact SG-CE1 3.59Å; F97-K99 PolarHBondContact O-N 2.97Å; F97-D100 HydrophobicContact CB-CB 4.21Å; F97-D100 PolarHBondContact O-N 2.9Å; F97-D100 VanDerWaalsContact O-N 3.13Å; F97-V101 WeakPolarHBondContact O-CG2 3.18Å; F97-V101 PolarHBondContact O-N 2.76Å
98L76.1Confident60.4Low6 Ų670 Ų703%0.03135%0.352CS..Hα-helixtrans-61.1-30.7179.1179.160.8000111.1L35 F38 E51 I53 F61 V96 S102L35-L98 HydrophobicContact CD2-CD1 4.09Å; L35-L98 HydrophobicContact CD2-CD2 3.86Å; L35-L98 HydrophobicContact CD2-CG 3.82Å; F38-L98 HydrophobicContact CB-CD2 3.8Å; F38-L98 HydrophobicContact CD1-CD2 4.33Å; F38-L98 HydrophobicContact CG-CD2 4.03Å; E51-L98 WeakPolarHBondContact O-CB 3.31Å; E51-L98 PolarHBondContact O-N 2.86Å; I53-L98 HydrophobicContact CD1-CD1 3.74Å; I53-L98 HydrophobicContact CG1-CB 4.26Å; I53-L98 HydrophobicContact CG1-CD1 4.26Å; I53-L98 HydrophobicContact CG2-CB 4.13Å; I53-L98 HydrophobicContact CG2-CD1 4.06Å; I53-L98 HydrophobicContact CG2-CD2 4.27Å; I53-L98 HydrophobicContact CG2-CG 4.38Å; F61-L98 HydrophobicContact CD2-CD1 3.98Å; F61-L98 HydrophobicContact CE2-CD1 4.33Å; V96-L98 PolarHBondContact O-N 2.81Å; L98-S102 WeakPolarHBondContact O-CB 3.35Å; L98-S102 PolarHBondContact O-N 3.4Å; L98-S102 PolarHBondContact O-OG 2.73Å
99K65.5Low61.5Low99 Ų9965.4 Ų65.443%0.4332%0.322SS..Hα-helixtrans-60.8-50.6173.7-71.7177.6179.2164.10111.3E51 F97 V101 S102 C103 L123E51-K99 WeakPolarHBondContact OE1-CE 3.32Å; E51-K99 IonicContact OE1-NZ 3.8Å; E51-K99 PolarHBondContact OE1-NZ 3.45Å; E51-K99 IonicContact OE2-NZ 3.95Å; E51-K99 PolarHBondContact OE2-NZ 3.47Å; F97-K99 PolarHBondContact O-N 2.97Å; K99-V101 VanDerWaalsContact C-N 3.34Å; K99-V101 PolarHBondContact O-N 3.37Å; K99-S102 PolarHBondContact O-N 2.82Å; K99-C103 PolarHBondContact O-N 2.89Å; K99-L123 HydrophobicContact CB-CD1 4Å; K99-L123 WeakPolarHBondContact O-CD1 3.39Å
100D62.4Low62Low53 Ų5362.4 Ų62.428%0.28331%0.312SS..Hα-helixtrans-58.1-46.4-179.7-61.7-4.6000111.6F82 F97 C103 Y104F82-D100 HydrophobicContact CD1-CB 4.17Å; F97-D100 HydrophobicContact CB-CB 4.21Å; F97-D100 PolarHBondContact O-N 2.9Å; F97-D100 VanDerWaalsContact O-N 3.13Å; D100-C103 PolarHBondContact O-N 3.26Å; D100-Y104 PolarHBondContact O-N 2.93Å; D100-Y104 VanDerWaalsContact O-N 3.11Å
101V71.7Confident62.5Low0 Ų055.6 Ų55.60%029%0.293CS..Hα-helixtrans-60.5-51.9175.5175.30000110.5I53 F58 F61 F82 V96 F97 K99 C103 Y104 F105I53-V101 HydrophobicContact CD1-CG2 4.41Å; F58-V101 HydrophobicContact CD2-CB 4.36Å; F58-V101 HydrophobicContact CD2-CG1 3.76Å; F58-V101 HydrophobicContact CD2-CG2 3.68Å; F58-V101 HydrophobicContact CE2-CB 4.11Å; F58-V101 HydrophobicContact CE2-CG1 3.45Å; F58-V101 VanDerWaalsContact CE2-CG1 3.45Å; F58-V101 HydrophobicContact CE2-CG2 3.52Å; F61-V101 HydrophobicContact CD1-CG1 3.78Å; F61-V101 HydrophobicContact CE1-CG1 3.69Å; F61-V101 HydrophobicContact CG-CG1 4.28Å; F61-V101 HydrophobicContact CZ-CG1 4.07Å; F82-V101 HydrophobicContact CB-CG2 4.43Å; F82-V101 HydrophobicContact CD1-CG2 4.14Å; F82-V101 HydrophobicContact CD2-CG2 4.11Å; F82-V101 HydrophobicContact CE1-CG2 4.44Å; F82-V101 HydrophobicContact CE2-CG2 4.44Å; F82-V101 HydrophobicContact CG-CG2 3.97Å; V96-V101 HydrophobicContact CB-CG2 4.33Å; V96-V101 HydrophobicContact CG2-CG2 3.6Å; F97-V101 WeakPolarHBondContact O-CG2 3.18Å; F97-V101 PolarHBondContact O-N 2.76Å; K99-V101 VanDerWaalsContact C-N 3.34Å; K99-V101 PolarHBondContact O-N 3.37Å; V101-C103 PolarHBondContact O-N 3.06Å; V101-Y104 PolarHBondContact O-N 2.93Å; V101-F105 HydrophobicContact CG1-CD2 4.06Å; V101-F105 HydrophobicContact CG1-CE2 4.24Å; V101-F105 VanDerWaalsContact O-CD2 3.28Å; V101-F105 WeakPolarHBondContact O-CD2 3.41Å; V101-F105 PolarHBondContact O-N 3.5Å
102S68.4Low63.4Low3 Ų354 Ų542%0.02128%0.28CS..Hα-helixtrans-59.7-36.6-178.6-62.40000111.8V31 L35 L98 K99 S106V31-S102 WeakPolarHBondContact CG1-O 3.12Å; L35-S102 WeakPolarHBondContact CD2-OG 3.31Å; L98-S102 WeakPolarHBondContact O-CB 3.35Å; L98-S102 PolarHBondContact O-N 3.4Å; L98-S102 PolarHBondContact O-OG 2.73Å; K99-S102 PolarHBondContact O-N 2.82Å; S102-S106 WeakPolarHBondContact O-CB 3.21Å; S102-S106 PolarHBondContact O-N 3.18Å; S102-S106 PolarHBondContact O-OG 3.46Å
103C57.6Low64.2Low0 Ų047 Ų470%024%0.243CC..Hα-helixtrans-73.7-43.3-179-177.80000113.8K99 D100 V101 F105 S106 L107 F119 L123K99-C103 PolarHBondContact O-N 2.89Å; D100-C103 PolarHBondContact O-N 3.26Å; V101-C103 PolarHBondContact O-N 3.06Å; C103-F105 PolarHBondContact O-N 2.84Å; C103-S106 PolarHBondContact O-N 3.24Å; C103-S106 VanDerWaalsContact O-N 3.1Å; C103-L107 WeakPolarHBondContact O-CG 3.39Å; C103-L107 PolarHBondContact O-N 2.85Å; C103-F119 HydrophobicContact CB-CE1 3.68Å; C103-F119 HydrophobicContact CB-CZ 4.02Å; C103-F119 VanDerWaalsContact SG-CE1 3.5Å; C103-L123 HydrophobicContact CB-CB 3.94Å; C103-L123 HydrophobicContact CB-CD1 3.2Å; C103-L123 HydrophobicContact CB-CD2 3.22Å; C103-L123 HydrophobicContact CB-CG 3.5Å; C103-L123 WeakPolarHBondContact SG-CD2 3.41Å
104Y61.9Low64.9Low44 Ų4448.6 Ų48.617%0.17324%0.238CC..Hα-helixtrans-52.7-44.5173.5-178.5-93.4000112.1F17 L20 F82 D100 V101 L108F17-Y104 AromaticContact CD2-CZ 3.98Å; F17-Y104 WeakPolarHBondContact CD2-OH 3.27Å; F17-Y104 AromaticContact CE2-CZ 3.89Å; F17-Y104 VanDerWaalsContact CE2-OH 3.26Å; F17-Y104 WeakPolarHBondContact CE2-OH 3.06Å; L20-Y104 HydrophobicContact CD2-CE1 3.82Å; F82-Y104 HydrophobicContact CE1-CD2 4.3Å; F82-Y104 AromaticContact CE1-CG 3.93Å; F82-Y104 HydrophobicContact CE1-CG 3.93Å; F82-Y104 VanDerWaalsContact CZ-CB 3.48Å; F82-Y104 AromaticContact CZ-CD1 3.67Å; F82-Y104 HydrophobicContact CZ-CD1 3.67Å; F82-Y104 HydrophobicContact CZ-CD2 4.06Å; F82-Y104 HydrophobicContact CZ-CE1 4.32Å; F82-Y104 AromaticContact CZ-CG 3.48Å; F82-Y104 HydrophobicContact CZ-CG 3.48Å; F82-Y104 VanDerWaalsContact CZ-CG 3.48Å; D100-Y104 PolarHBondContact O-N 2.93Å; D100-Y104 VanDerWaalsContact O-N 3.11Å; V101-Y104 PolarHBondContact O-N 2.93Å; Y104-L108 HydrophobicContact CD1-CD1 4.01Å; Y104-L108 HydrophobicContact CE1-CD1 3.78Å; Y104-L108 WeakPolarHBondContact O-CG 3.27Å
105F67Low64.6Low0 Ų047 Ų470%024%0.236CC..Hα-helixtrans-72-35.7177.7-79.1-76.3000113.5L20 I24 V31 F61 L62 Y65 V101 C103 L107 L108 E109L20-F105 HydrophobicContact CD1-CE1 3.79Å; L20-F105 HydrophobicContact CD1-CZ 3.99Å; L20-F105 HydrophobicContact CD2-CE1 3.93Å; L20-F105 HydrophobicContact CD2-CZ 3.92Å; L20-F105 HydrophobicContact CG-CE1 4.11Å; L20-F105 HydrophobicContact CG-CZ 4.44Å; I24-F105 HydrophobicContact CD1-CD1 3.65Å; I24-F105 HydrophobicContact CD1-CE1 3.73Å; I24-F105 HydrophobicContact CG1-CD1 4.27Å; I24-F105 HydrophobicContact CG1-CE1 4.25Å; V31-F105 HydrophobicContact CG2-CB 3.45Å; V31-F105 VanDerWaalsContact CG2-CB 3.45Å; F61-F105 HydrophobicContact CE1-CB 4.41Å; F61-F105 AromaticContact CE1-CD2 3.58Å; F61-F105 HydrophobicContact CE1-CD2 3.58Å; F61-F105 HydrophobicContact CE1-CE2 4.11Å; F61-F105 HydrophobicContact CE1-CG 4.02Å; F61-F105 HydrophobicContact CZ-CB 4.45Å; F61-F105 HydrophobicContact CZ-CD2 4.27Å; L62-F105 HydrophobicContact CD2-CE1 3.85Å; L62-F105 HydrophobicContact CD2-CE2 3.52Å; L62-F105 HydrophobicContact CD2-CZ 3.12Å; Y65-F105 AromaticContact CD1-CD1 3.69Å; Y65-F105 HydrophobicContact CD1-CD1 3.69Å; Y65-F105 HydrophobicContact CD1-CE1 4.15Å; Y65-F105 HydrophobicContact CD1-CG 4.23Å; Y65-F105 HydrophobicContact CE1-CB 4.06Å; Y65-F105 AromaticContact CE1-CD1 3.33Å; Y65-F105 HydrophobicContact CE1-CD1 3.33Å; Y65-F105 HydrophobicContact CE1-CE1 4.07Å; Y65-F105 AromaticContact CE1-CG 4Å; Y65-F105 HydrophobicContact CE1-CG 4Å; V101-F105 HydrophobicContact CG1-CD2 4.06Å; V101-F105 HydrophobicContact CG1-CE2 4.24Å; V101-F105 VanDerWaalsContact O-CD2 3.28Å; V101-F105 WeakPolarHBondContact O-CD2 3.41Å; V101-F105 PolarHBondContact O-N 3.5Å; C103-F105 PolarHBondContact O-N 2.84Å; F105-L107 PolarHBondContact O-N 2.87Å; F105-L108 WeakPolarHBondContact O-CB 3.16Å; F105-L108 PolarHBondContact O-N 2.98Å; F105-L108 VanDerWaalsContact O-N 3.16Å; F105-E109 PolarHBondContact O-N 2.8Å
106S62.8Low63.7Low15 Ų1545.3 Ų45.311%0.10523%0.227CC..Hα-helixtrans-68.6-32.4177.8-58.20000112.6V31 S102 C103 L108 E109 F119V31-S106 WeakPolarHBondContact CB-OG 3.46Å; V31-S106 WeakPolarHBondContact CG1-OG 3.31Å; S102-S106 WeakPolarHBondContact O-CB 3.21Å; S102-S106 PolarHBondContact O-N 3.18Å; S102-S106 PolarHBondContact O-OG 3.46Å; C103-S106 PolarHBondContact O-N 3.24Å; C103-S106 VanDerWaalsContact O-N 3.1Å; S106-L108 PolarHBondContact O-N 3.46Å; S106-E109 WeakPolarHBondContact O-CB 3.39Å; S106-E109 PolarHBondContact O-N 3.09Å; S106-F119 WeakPolarHBondContact OG-CZ 3.21Å
107L53.5Low63.4Low35 Ų3545.2 Ų45.218%0.18323%0.227CC..Hα-helixtrans-62.4-31.4173-72.9176.2000111.9C103 F105 E109 K116 L196C103-L107 WeakPolarHBondContact O-CG 3.39Å; C103-L107 PolarHBondContact O-N 2.85Å; F105-L107 PolarHBondContact O-N 2.87Å; L107-E109 VanDerWaalsContact C-N 3.32Å; L107-K116 PolarHBondContact O-NZ 3.49Å; L107-L196 HydrophobicContact CD2-CD2 4.18Å
108L55.4Low63Low47 Ų4743.5 Ų43.525%0.24622%0.22CC..THydrogen-bonded Turntrans-80.5-9.3179.1-60.3169.3000113.1F17 Q21 I24 Y104 F105 S106F17-L108 HydrophobicContact CE2-CD1 4.24Å; F17-L108 HydrophobicContact CE2-CD2 4.02Å; F17-L108 HydrophobicContact CZ-CD2 3.97Å; Q21-L108 HydrophobicContact CG-CD2 4.48Å; I24-L108 HydrophobicContact CD1-CB 3.74Å; I24-L108 HydrophobicContact CD1-CD1 3.29Å; I24-L108 HydrophobicContact CD1-CG 4.1Å; I24-L108 HydrophobicContact CG2-CB 4.23Å; Y104-L108 HydrophobicContact CD1-CD1 4.01Å; Y104-L108 HydrophobicContact CE1-CD1 3.78Å; Y104-L108 WeakPolarHBondContact O-CG 3.27Å; F105-L108 WeakPolarHBondContact O-CB 3.16Å; F105-L108 PolarHBondContact O-N 2.98Å; F105-L108 VanDerWaalsContact O-N 3.16Å; S106-L108 PolarHBondContact O-N 3.46Å
109E61.9Low62.3Low30 Ų3046.7 Ų46.714%0.1423%0.234CC..SBendtrans-81.9152.8176.4-62.8-177.1158.200113K30 V31 Y65 F105 S106 L107 K116K30-E109 WeakPolarHBondContact CA-OE1 3.45Å; K30-E109 HydrophobicContact CD-CB 4.5Å; K30-E109 VanDerWaalsContact CD-CD 3.48Å; K30-E109 HydrophobicContact CD-CG 4.3Å; K30-E109 VanDerWaalsContact CD-OE2 3.28Å; K30-E109 WeakPolarHBondContact CD-OE2 3.44Å; V31-E109 WeakPolarHBondContact CG2-OE1 3.2Å; V31-E109 PolarHBondContact N-OE1 2.91Å; Y65-E109 WeakPolarHBondContact OH-CG 3.31Å; Y65-E109 PolarHBondContact OH-OE1 3.01Å; F105-E109 PolarHBondContact O-N 2.8Å; S106-E109 WeakPolarHBondContact O-CB 3.39Å; S106-E109 PolarHBondContact O-N 3.09Å; L107-E109 VanDerWaalsContact C-N 3.32Å; E109-K116 WeakPolarHBondContact O-CE 3.33Å; E109-K116 PolarHBondContact O-NZ 2.9Å
110D52.1Low62.2Low120 Ų12042.1 Ų42.164%0.64222%0.215SC*.  trans-71.3135.6165.8-89.3-27.2000111.5K30K30-D110 PolarHBondContact NZ-O 2.79Å
111G56.6Low62.4Low46 Ų4639.8 Ų39.847%0.47420%0.202SC..  trans-174.4169.6-179.500000113.9
112Q58.2Low62.1Low121 Ų12147.5 Ų47.557%0.56523%0.231SC*.  trans-67.9143.6176.6-68.8-67.6-21.300110.9R114 D115 K116Q112-R114 VanDerWaalsContact C-N 3.29Å; Q112-R114 PolarHBondContact O-N 2.76Å; Q112-D115 PolarHBondContact O-N 2.86Å; Q112-K116 PolarHBondContact O-N 2.86Å
113P61.2Low61.6Low6 Ų648.3 Ų48.34%0.03924%0.235CC..Hα-helixtrans-54-42.8179.9-27.133.9000114.4K116 L117 L193 L198 K199P113-K116 PolarHBondContact O-N 3.09Å; P113-L117 WeakPolarHBondContact O-CB 3.28Å; P113-L117 VanDerWaalsContact O-CG 3.28Å; P113-L117 WeakPolarHBondContact O-CG 3.12Å; P113-L117 PolarHBondContact O-N 3.24Å; P113-L193 HydrophobicContact CB-CD2 4.07Å; P113-L198 HydrophobicContact CB-CB 4.16Å; P113-L198 HydrophobicContact CB-CD1 4.14Å; P113-L198 HydrophobicContact CB-CD2 4.28Å; P113-L198 HydrophobicContact CB-CG 4.42Å; P113-L198 HydrophobicContact CG-CB 4.2Å; P113-L198 HydrophobicContact CG-CD2 4.43Å; P113-K199 WeakPolarHBondContact CG-O 3.28Å
114R67.8Low61.9Low131 Ų13149.4 Ų49.449%0.49424%0.239SC..Hα-helixtrans-61.2-51.7-179.8-175177.1178.7-177.38.2111.5Q112 K116 L117 E118 V183 M187Q112-R114 VanDerWaalsContact C-N 3.29Å; Q112-R114 PolarHBondContact O-N 2.76Å; R114-K116 PolarHBondContact O-N 3.02Å; R114-L117 PolarHBondContact O-N 3.41Å; R114-E118 HydrophobicContact CG-CG 4.37Å; R114-E118 WeakPolarHBondContact CG-OE1 3.1Å; R114-E118 IonicContact CZ-OE1 2.7Å; R114-E118 IonicContact NE-OE1 3.46Å; R114-E118 PolarHBondContact NE-OE1 3.5Å; R114-E118 IonicContact NH2-OE1 2.68Å; R114-E118 PolarHBondContact NH2-OE1 3.45Å; R114-E118 WeakPolarHBondContact O-CG 3.47Å; R114-E118 PolarHBondContact O-N 2.89Å; R114-V183 HydrophobicContact CG-CG1 3.84Å; R114-M187 HydrophobicContact CB-SD 3.9Å; R114-M187 HydrophobicContact CG-SD 4.17Å
115D63.5Low62.1Low95 Ų9548.3 Ų48.351%0.50824%0.236SC..Hα-helixtrans-58-39.1-179.8-56-17.5000111.4Q112 F119Q112-D115 PolarHBondContact O-N 2.86Å; D115-F119 WeakPolarHBondContact O-CB 3.47Å; D115-F119 PolarHBondContact O-N 3.25Å
116K61.7Low61.8Low20 Ų2056.1 Ų56.19%0.08727%0.266CS..Hα-helixtrans-71-37.5176.8-63.8-146.8-157.31730113.1L107 E109 Q112 P113 R114 A120 L198L107-K116 PolarHBondContact O-NZ 3.49Å; E109-K116 WeakPolarHBondContact O-CE 3.33Å; E109-K116 PolarHBondContact O-NZ 2.9Å; Q112-K116 PolarHBondContact O-N 2.86Å; P113-K116 PolarHBondContact O-N 3.09Å; R114-K116 PolarHBondContact O-N 3.02Å; K116-A120 WeakPolarHBondContact O-CB 3.36Å; K116-A120 PolarHBondContact O-N 2.98Å; K116-L198 HydrophobicContact CB-CD1 4.11Å; K116-L198 HydrophobicContact CB-CD2 3.85Å; K116-L198 HydrophobicContact CD-CD2 3.32Å; K116-L198 HydrophobicContact CD-CG 4.28Å; K116-L198 VanDerWaalsContact CE-CD2 3.45Å; K116-L198 HydrophobicContact CG-CD2 3.65Å
117L68.1Low62Low0 Ų060.2 Ų60.20%029%0.287CS..Hα-helixtrans-68.1-44.6176.4-73.4167.4000110.9P113 R114 F119 A120 F121 W182 V183 M187 L192 L193 L196 L198P113-L117 WeakPolarHBondContact O-CB 3.28Å; P113-L117 VanDerWaalsContact O-CG 3.28Å; P113-L117 WeakPolarHBondContact O-CG 3.12Å; P113-L117 PolarHBondContact O-N 3.24Å; R114-L117 PolarHBondContact O-N 3.41Å; L117-F119 VanDerWaalsContact C-N 3.31Å; L117-F119 PolarHBondContact O-N 2.94Å; L117-A120 PolarHBondContact O-N 3.39Å; L117-F121 WeakPolarHBondContact O-CB 3.49Å; L117-F121 PolarHBondContact O-N 3.49Å; L117-W182 HydrophobicContact CD2-CZ2 4.4Å; L117-W182 PolarHBondContact O-NE1 3.4Å; L117-V183 HydrophobicContact CB-CG2 4.28Å; L117-M187 HydrophobicContact CD1-CB 4.38Å; L117-M187 HydrophobicContact CD1-CG 3.63Å; L117-L192 HydrophobicContact CD2-CD2 4.14Å; L117-L193 HydrophobicContact CD1-CD2 4.22Å; L117-L196 HydrophobicContact CD2-CD1 4.11Å; L117-L198 HydrophobicContact CG-CD1 4.33Å
118E69.7Low62.9Low42 Ų4261.3 Ų61.320%0.19631%0.306CS..Hα-helixtrans-61.1-41.3175.4-73.4-179.6-17000111.8R114 R122 L179 V183R114-E118 HydrophobicContact CG-CG 4.37Å; R114-E118 WeakPolarHBondContact CG-OE1 3.1Å; R114-E118 IonicContact CZ-OE1 2.7Å; R114-E118 IonicContact NE-OE1 3.46Å; R114-E118 PolarHBondContact NE-OE1 3.5Å; R114-E118 IonicContact NH2-OE1 2.68Å; R114-E118 PolarHBondContact NH2-OE1 3.45Å; R114-E118 WeakPolarHBondContact O-CG 3.47Å; R114-E118 PolarHBondContact O-N 2.89Å; E118-R122 WeakPolarHBondContact O-CG 3.45Å; E118-R122 PolarHBondContact O-N 3.5Å; E118-L179 HydrophobicContact CB-CD1 4.4Å; E118-L179 HydrophobicContact CG-CD1 4.25Å; E118-V183 HydrophobicContact CB-CG2 4.42Å; E118-V183 HydrophobicContact CG-CG2 3.5Å
119F61.6Low63.9Low73 Ų7363 Ų6332%0.3232%0.315SS..Hα-helixtrans-71-39.9177175.6-91.3000112.3C103 S106 D115 L117 F121 R122 L123C103-F119 HydrophobicContact CB-CE1 3.68Å; C103-F119 HydrophobicContact CB-CZ 4.02Å; C103-F119 VanDerWaalsContact SG-CE1 3.5Å; S106-F119 WeakPolarHBondContact OG-CZ 3.21Å; D115-F119 WeakPolarHBondContact O-CB 3.47Å; D115-F119 PolarHBondContact O-N 3.25Å; L117-F119 VanDerWaalsContact C-N 3.31Å; L117-F119 PolarHBondContact O-N 2.94Å; F119-F121 VanDerWaalsContact C-N 3.34Å; F119-R122 PolarHBondContact O-N 3.44Å; F119-L123 PolarHBondContact O-N 2.99Å; F119-L123 VanDerWaalsContact O-N 3.17Å
120A62.1Low64.7Low4 Ų463.1 Ų63.13%0.03333%0.325CS..Hα-helixtrans-60.8-44.5173.100000110.8K116 L117 R122 L123 Y124 W182K116-A120 WeakPolarHBondContact O-CB 3.36Å; K116-A120 PolarHBondContact O-N 2.98Å; L117-A120 PolarHBondContact O-N 3.39Å; A120-R122 PolarHBondContact O-N 2.9Å; A120-L123 VanDerWaalsContact O-CB 3.28Å; A120-L123 WeakPolarHBondContact O-CB 3.2Å; A120-L123 PolarHBondContact O-N 3.02Å; A120-L123 VanDerWaalsContact O-N 3.09Å; A120-Y124 WeakPolarHBondContact O-CD2 3.22Å; A120-Y124 PolarHBondContact O-N 3.27Å; A120-W182 HydrophobicContact CB-CZ2 4.48Å
121F68.1Low66.3Low3 Ų359.5 Ų59.51%0.01331%0.307CS..Hα-helixtrans-54-54176.1-174.8-89000112.2L117 F119 L123 Y124 D125 G130 L132 V177 S178 L179 W182L117-F121 WeakPolarHBondContact O-CB 3.49Å; L117-F121 PolarHBondContact O-N 3.49Å; F119-F121 VanDerWaalsContact C-N 3.34Å; F121-L123 PolarHBondContact O-N 2.88Å; F121-L123 VanDerWaalsContact O-N 3.11Å; F121-Y124 PolarHBondContact O-N 2.97Å; F121-Y124 VanDerWaalsContact O-N 3.11Å; F121-D125 HydrophobicContact CE1-CB 4.34Å; F121-D125 WeakPolarHBondContact O-CB 3.41Å; F121-D125 PolarHBondContact O-N 3.09Å; F121-G130 VanDerWaalsContact CZ-O 3.32Å; F121-G130 WeakPolarHBondContact CZ-O 3.39Å; F121-L132 HydrophobicContact CD2-CD1 3.52Å; F121-L132 HydrophobicContact CD2-CG 3.82Å; F121-L132 HydrophobicContact CE2-CB 4.49Å; F121-L132 HydrophobicContact CE2-CD1 3.67Å; F121-L132 HydrophobicContact CE2-CD2 4.47Å; F121-L132 HydrophobicContact CE2-CG 3.53Å; F121-L132 HydrophobicContact CG-CD1 4.47Å; F121-L132 HydrophobicContact CZ-CG 4.12Å; F121-V177 VanDerWaalsContact CE2-O 3.29Å; F121-V177 WeakPolarHBondContact CE2-O 3.38Å; F121-S178 WeakPolarHBondContact CE2-O 3.37Å; F121-L179 HydrophobicContact CB-CD1 3.54Å; F121-L179 HydrophobicContact CD1-CB 3.81Å; F121-L179 HydrophobicContact CD1-CD1 3.45Å; F121-L179 VanDerWaalsContact CD1-CD1 3.45Å; F121-L179 HydrophobicContact CD1-CG 4.15Å; F121-L179 HydrophobicContact CD2-CB 4.38Å; F121-L179 HydrophobicContact CD2-CD1 4.15Å; F121-L179 HydrophobicContact CE1-CB 3.61Å; F121-L179 HydrophobicContact CE1-CD1 4.2Å; F121-L179 HydrophobicContact CE1-CG 4.43Å; F121-L179 HydrophobicContact CE2-CB 4.19Å; F121-L179 HydrophobicContact CG-CB 4.18Å; F121-L179 HydrophobicContact CG-CD1 3.42Å; F121-L179 VanDerWaalsContact CG-CD1 3.42Å; F121-L179 HydrophobicContact CG-CG 4.39Å; F121-L179 VanDerWaalsContact CZ-CA 3.44Å; F121-L179 HydrophobicContact CZ-CB 3.81Å; F121-W182 HydrophobicContact CB-CG 4.18Å; F121-W182 HydrophobicContact CD2-CB 3.43Å; F121-W182 VanDerWaalsContact CD2-CB 3.43Å; F121-W182 AromaticContact CD2-CD1 3.85Å; F121-W182 HydrophobicContact CD2-CD2 4.34Å; F121-W182 AromaticContact CD2-CG 3.58Å; F121-W182 HydrophobicContact CD2-CG 3.58Å; F121-W182 HydrophobicContact CE2-CB 3.93Å; F121-W182 HydrophobicContact CE2-CG 4.48Å; F121-W182 HydrophobicContact CG-CB 4.44Å; F121-W182 HydrophobicContact CG-CG 4.36Å
122R64Low67.4Low163 Ų16357.3 Ų57.362%0.61528%0.284SS*.Hα-helixtrans-62.7-19.1179.9-70.2178.8-173.2161.88.1113.9E118 F119 A120E118-R122 WeakPolarHBondContact O-CG 3.45Å; E118-R122 PolarHBondContact O-N 3.5Å; F119-R122 PolarHBondContact O-N 3.44Å; A120-R122 PolarHBondContact O-N 2.9Å
123L57.9Low68.5Low19 Ų1953.9 Ų53.910%0.09927%0.27CS..Hα-helixtrans-73.4-51.3173.6-179.774.5000110.7K99 C103 F119 A120 F121 D125K99-L123 HydrophobicContact CB-CD1 4Å; K99-L123 WeakPolarHBondContact O-CD1 3.39Å; C103-L123 HydrophobicContact CB-CB 3.94Å; C103-L123 HydrophobicContact CB-CD1 3.2Å; C103-L123 HydrophobicContact CB-CD2 3.22Å; C103-L123 HydrophobicContact CB-CG 3.5Å; C103-L123 WeakPolarHBondContact SG-CD2 3.41Å; F119-L123 PolarHBondContact O-N 2.99Å; F119-L123 VanDerWaalsContact O-N 3.17Å; A120-L123 VanDerWaalsContact O-CB 3.28Å; A120-L123 WeakPolarHBondContact O-CB 3.2Å; A120-L123 PolarHBondContact O-N 3.02Å; A120-L123 VanDerWaalsContact O-N 3.09Å; F121-L123 PolarHBondContact O-N 2.88Å; F121-L123 VanDerWaalsContact O-N 3.11Å; L123-D125 VanDerWaalsContact C-N 3.35Å
124Y63.9Low69.3Low23 Ų2357.6 Ų57.69%0.0930%0.296CS..Hα-helixtrans-84.2-15.3-168.4-68-81.7000112.8A120 F121 R126 E136 I140 Q143A120-Y124 WeakPolarHBondContact O-CD2 3.22Å; A120-Y124 PolarHBondContact O-N 3.27Å; F121-Y124 PolarHBondContact O-N 2.97Å; F121-Y124 VanDerWaalsContact O-N 3.11Å; Y124-R126 VanDerWaalsContact C-N 3.28Å; Y124-R126 PolarHBondContact O-N 2.99Å; Y124-E136 WeakPolarHBondContact O-CB 3.19Å; Y124-E136 VanDerWaalsContact O-CG 3.22Å; Y124-E136 WeakPolarHBondContact O-CG 3.44Å; Y124-E136 VanDerWaalsContact O-OE1 3.08Å; Y124-I140 HydrophobicContact CD1-CB 4.42Å; Y124-I140 HydrophobicContact CD1-CD1 4.31Å; Y124-I140 HydrophobicContact CD1-CG1 3.35Å; Y124-I140 HydrophobicContact CD2-CD1 3.8Å; Y124-I140 HydrophobicContact CD2-CG1 3.42Å; Y124-I140 VanDerWaalsContact CD2-CG1 3.42Å; Y124-I140 HydrophobicContact CE1-CB 4.31Å; Y124-I140 HydrophobicContact CE1-CG1 3.65Å; Y124-I140 HydrophobicContact CE2-CD1 4.47Å; Y124-I140 HydrophobicContact CE2-CG1 3.74Å; Y124-I140 HydrophobicContact CG-CD1 3.71Å; Y124-I140 HydrophobicContact CG-CG1 3.22Å; Y124-Q143 PolarHBondContact OH-OE1 2.9Å
125D67.1Low69.7Low21 Ų2154 Ų5411%0.11229%0.291CS..  trans-71.681164.217712.3000109.3F121 L123 G128 N129 G130 L132F121-D125 HydrophobicContact CE1-CB 4.34Å; F121-D125 WeakPolarHBondContact O-CB 3.41Å; F121-D125 PolarHBondContact O-N 3.09Å; L123-D125 VanDerWaalsContact C-N 3.35Å; D125-G128 PolarHBondContact O-N 3.3Å; D125-G128 WeakPolarHBondContact OD1-CA 3.37Å; D125-G128 PolarHBondContact OD1-N 3.45Å; D125-N129 PolarHBondContact OD1-N 3.18Å; D125-N129 PolarHBondContact OD1-OD1 3.48Å; D125-G130 PolarHBondContact OD1-N 2.93Å; D125-G130 VanDerWaalsContact OD2-CA 3.25Å; D125-G130 WeakPolarHBondContact OD2-CA 3.31Å; D125-G130 PolarHBondContact OD2-N 2.98Å; D125-L132 HydrophobicContact CB-CD2 4.13Å; D125-L132 VanDerWaalsContact N-CD2 3.31Å
126R61.8Low70.2Confident165 Ų16549.8 Ų49.862%0.62327%0.268SS*.SBendtrans-73.5-36.2-169.1-178.9-176.2177.2-155.8-0.6111.5Y124 G128 E136Y124-R126 VanDerWaalsContact C-N 3.28Å; Y124-R126 PolarHBondContact O-N 2.99Å; R126-G128 VanDerWaalsContact C-N 3.33Å; R126-E136 PolarHBondContact N-OE1 3.21Å
127D66.2Low70.6Confident101 Ų10149.7 Ų49.754%0.5427%0.269SS..SBendtrans-87.1-7.8178.870.5-2.2000112.4N129D127-N129 PolarHBondContact O-N 3.4Å; D127-N129 VanDerWaalsContact OD1-CB 3.25Å; D127-N129 WeakPolarHBondContact OD1-CB 3.28Å; D127-N129 PolarHBondContact OD1-N 2.66Å; D127-N129 VanDerWaalsContact OD1-N 3.12Å; D127-N129 PolarHBondContact OD1-ND2 3.32Å; D127-N129 PolarHBondContact OD1-OD1 2.8Å; D127-N129 PolarHBondContact OD2-ND2 2.91Å
128G71.9Confident70.7Confident57 Ų5753.9 Ų53.959%0.58829%0.292SS*.  trans70.423.9175.800000112.4D125 R126 G130D125-G128 PolarHBondContact O-N 3.3Å; D125-G128 WeakPolarHBondContact OD1-CA 3.37Å; D125-G128 PolarHBondContact OD1-N 3.45Å; R126-G128 VanDerWaalsContact C-N 3.33Å; G128-G130 PolarHBondContact O-N 3.42Å
129N77.9Confident70.5Confident82 Ų8257.8 Ų57.844%0.43931%0.305SS..SBendtrans-79-7.8-176.772.219.4000112.4D125 D127 V131D125-N129 PolarHBondContact OD1-N 3.18Å; D125-N129 PolarHBondContact OD1-OD1 3.48Å; D127-N129 PolarHBondContact O-N 3.4Å; D127-N129 VanDerWaalsContact OD1-CB 3.25Å; D127-N129 WeakPolarHBondContact OD1-CB 3.28Å; D127-N129 PolarHBondContact OD1-N 2.66Å; D127-N129 VanDerWaalsContact OD1-N 3.12Å; D127-N129 PolarHBondContact OD1-ND2 3.32Å; D127-N129 PolarHBondContact OD1-OD1 2.8Å; D127-N129 PolarHBondContact OD2-ND2 2.91Å; N129-V131 WeakPolarHBondContact OD1-CG2 3.42Å; N129-V131 PolarHBondContact OD1-N 3.27Å; N129-V131 PolarHBondContact OD1-O 2.92Å
130G78.4Confident70.6Confident34 Ų3454.4 Ų54.435%0.35129%0.29SS..SBendtrans8510177.800000115.1F121 D125 G128F121-G130 VanDerWaalsContact CZ-O 3.32Å; F121-G130 WeakPolarHBondContact CZ-O 3.39Å; D125-G130 PolarHBondContact OD1-N 2.93Å; D125-G130 VanDerWaalsContact OD2-CA 3.25Å; D125-G130 WeakPolarHBondContact OD2-CA 3.31Å; D125-G130 PolarHBondContact OD2-N 2.98Å; G128-G130 PolarHBondContact O-N 3.42Å
131V84Confident70.8Confident43 Ų4354.5 Ų54.526%0.26129%0.29SS..EExtended strand (participates in β ladder)trans-137.4152.2176-62.90000110.4N129 V177N129-V131 WeakPolarHBondContact OD1-CG2 3.42Å; N129-V131 PolarHBondContact OD1-N 3.27Å; N129-V131 PolarHBondContact OD1-O 2.92Å; V131-V177 CarbonylContact C-O 3.58Å; V131-V177 WeakPolarHBondContact CA-O 3.32Å
132L80.1Confident70.6Confident0 Ų056.6 Ų56.60%031%0.308CS..EExtended strand (participates in β ladder)trans-99.5117.2174.2-62.5170000109.7F121 D125 E136 V137 I140 T176 V177 W182F121-L132 HydrophobicContact CD2-CD1 3.52Å; F121-L132 HydrophobicContact CD2-CG 3.82Å; F121-L132 HydrophobicContact CE2-CB 4.49Å; F121-L132 HydrophobicContact CE2-CD1 3.67Å; F121-L132 HydrophobicContact CE2-CD2 4.47Å; F121-L132 HydrophobicContact CE2-CG 3.53Å; F121-L132 HydrophobicContact CG-CD1 4.47Å; F121-L132 HydrophobicContact CZ-CG 4.12Å; D125-L132 HydrophobicContact CB-CD2 4.13Å; D125-L132 VanDerWaalsContact N-CD2 3.31Å; L132-E136 WeakPolarHBondContact CA-OE2 3.46Å; L132-E136 HydrophobicContact CD2-CB 4.2Å; L132-V137 HydrophobicContact CB-CG2 3.98Å; L132-I140 HydrophobicContact CD1-CD1 3.8Å; L132-T176 CarbonylContact O-C 3.53Å; L132-T176 VanDerWaalsContact O-CA 3.3Å; L132-T176 WeakPolarHBondContact O-CA 3.24Å; L132-V177 HydrophobicContact CB-CB 4.26Å; L132-V177 PolarHBondContact N-O 3.01Å; L132-V177 PolarHBondContact O-N 2.92Å; L132-W182 HydrophobicContact CD1-CD2 4.14Å; L132-W182 HydrophobicContact CD1-CE3 3.87Å; L132-W182 HydrophobicContact CD1-CZ3 4.32Å
133D82Confident70.4Confident49 Ų4951.6 Ų51.626%0.26229%0.291SS..  trans-81.5171.917578.330.3000112.8S135 E136 V137 T176D133-S135 PolarHBondContact O-N 2.88Å; D133-S135 VanDerWaalsContact O-N 3.15Å; D133-S135 VanDerWaalsContact OD1-CA 3.31Å; D133-S135 WeakPolarHBondContact OD1-CA 3.41Å; D133-S135 VanDerWaalsContact OD1-CB 3.27Å; D133-S135 WeakPolarHBondContact OD1-CB 3.46Å; D133-S135 PolarHBondContact OD1-N 2.79Å; D133-S135 PolarHBondContact OD1-OG 2.8Å; D133-E136 PolarHBondContact N-OE2 3.3Å; D133-E136 PolarHBondContact O-N 3.39Å; D133-E136 VanDerWaalsContact O-N 3.13Å; D133-E136 PolarHBondContact OD1-N 3.23Å; D133-V137 WeakPolarHBondContact O-CB 3.35Å; D133-V137 VanDerWaalsContact O-CG2 3.26Å; D133-V137 WeakPolarHBondContact O-CG2 3.29Å; D133-V137 PolarHBondContact O-N 3.35Å; D133-T176 HydrophobicContact CB-CG2 4.46Å
134S78.6Confident70.4Confident85 Ų8551.4 Ų51.459%0.59429%0.29SS*.Hα-helixtrans-56.2-33.1-179570000113.7D138S134-D138 WeakPolarHBondContact O-CB 3.45Å; S134-D138 VanDerWaalsContact O-CG 3.28Å; S134-D138 PolarHBondContact O-N 3.36Å
135S75.6Confident70.4Confident54 Ų5451 Ų5138%0.37829%0.289SS..Hα-helixtrans-76.5-33.9-179.382.30000112.1D133 R139D133-S135 PolarHBondContact O-N 2.88Å; D133-S135 VanDerWaalsContact O-N 3.15Å; D133-S135 VanDerWaalsContact OD1-CA 3.31Å; D133-S135 WeakPolarHBondContact OD1-CA 3.41Å; D133-S135 VanDerWaalsContact OD1-CB 3.27Å; D133-S135 WeakPolarHBondContact OD1-CB 3.46Å; D133-S135 PolarHBondContact OD1-N 2.79Å; D133-S135 PolarHBondContact OD1-OG 2.8Å; S135-R139 VanDerWaalsContact O-CG 3.28Å; S135-R139 WeakPolarHBondContact O-CG 3.24Å; S135-R139 PolarHBondContact O-N 3.08Å
136E73.4Confident69.9Low8 Ų856.2 Ų56.24%0.03731%0.312CS..Hα-helixtrans-72.3-41.5174.5-67.4173.7142.600110.7Y124 R126 L132 D133 R139 I140Y124-E136 WeakPolarHBondContact O-CB 3.19Å; Y124-E136 VanDerWaalsContact O-CG 3.22Å; Y124-E136 WeakPolarHBondContact O-CG 3.44Å; Y124-E136 VanDerWaalsContact O-OE1 3.08Å; R126-E136 PolarHBondContact N-OE1 3.21Å; L132-E136 WeakPolarHBondContact CA-OE2 3.46Å; L132-E136 HydrophobicContact CD2-CB 4.2Å; D133-E136 PolarHBondContact N-OE2 3.3Å; D133-E136 PolarHBondContact O-N 3.39Å; D133-E136 VanDerWaalsContact O-N 3.13Å; D133-E136 PolarHBondContact OD1-N 3.23Å; E136-R139 WeakPolarHBondContact O-CB 3.33Å; E136-R139 PolarHBondContact O-N 2.68Å; E136-I140 WeakPolarHBondContact O-CG1 3.45Å; E136-I140 PolarHBondContact O-N 3.08Å
137V70.8Confident69.4Low17 Ų1750.4 Ų50.410%0.10330%0.3CS..Hα-helixtrans-60.8-45.6173.1172.50000111.7L132 D133 R139 I140 I141 M166L132-V137 HydrophobicContact CB-CG2 3.98Å; D133-V137 WeakPolarHBondContact O-CB 3.35Å; D133-V137 VanDerWaalsContact O-CG2 3.26Å; D133-V137 WeakPolarHBondContact O-CG2 3.29Å; D133-V137 PolarHBondContact O-N 3.35Å; V137-R139 VanDerWaalsContact C-N 3.25Å; V137-R139 PolarHBondContact O-N 2.62Å; V137-I140 WeakPolarHBondContact O-CB 3.39Å; V137-I140 PolarHBondContact O-N 3.21Å; V137-I140 VanDerWaalsContact O-N 3.13Å; V137-I141 HydrophobicContact CG1-CD1 4.22Å; V137-I141 WeakPolarHBondContact O-CG1 3.45Å; V137-I141 PolarHBondContact O-N 2.87Å; V137-M166 HydrophobicContact CG1-CB 3.55Å; V137-M166 HydrophobicContact CG1-CG 3.44Å; V137-M166 VanDerWaalsContact CG1-CG 3.44Å; V137-M166 HydrophobicContact CG1-SD 4.21Å
138D69.4Low68.8Low89 Ų8945.6 Ų45.648%0.47627%0.274SS..Hα-helixtrans-61.9-34.1177.3-81.5-24.8000112.1S134 I141 A142S134-D138 WeakPolarHBondContact O-CB 3.45Å; S134-D138 VanDerWaalsContact O-CG 3.28Å; S134-D138 PolarHBondContact O-N 3.36Å; D138-I141 PolarHBondContact O-N 2.83Å; D138-A142 WeakPolarHBondContact O-CB 3.4Å; D138-A142 PolarHBondContact O-N 3.35Å
139R65.4Low68Low123 Ų12347.6 Ų47.646%0.46427%0.268SS..Hα-helixtrans-66.9-41.2173.4-70.2167.7-166.7-115.2-1.1112.1S135 E136 V137 I141 A142 Q143S135-R139 VanDerWaalsContact O-CG 3.28Å; S135-R139 WeakPolarHBondContact O-CG 3.24Å; S135-R139 PolarHBondContact O-N 3.08Å; E136-R139 WeakPolarHBondContact O-CB 3.33Å; E136-R139 PolarHBondContact O-N 2.68Å; V137-R139 VanDerWaalsContact C-N 3.25Å; V137-R139 PolarHBondContact O-N 2.62Å; R139-I141 VanDerWaalsContact C-N 3.33Å; R139-A142 PolarHBondContact O-N 3.01Å; R139-Q143 WeakPolarHBondContact O-CB 3.3Å; R139-Q143 PolarHBondContact O-N 3.28Å
140I64.7Low66.6Low2 Ų245.4 Ų45.41%0.0125%0.254CS..Hα-helixtrans-57.4-50.8173.3-64.7169.6000109.4Y124 L132 E136 V137 A142 Q143 M144 M166 W182Y124-I140 HydrophobicContact CD1-CB 4.42Å; Y124-I140 HydrophobicContact CD1-CD1 4.31Å; Y124-I140 HydrophobicContact CD1-CG1 3.35Å; Y124-I140 HydrophobicContact CD2-CD1 3.8Å; Y124-I140 HydrophobicContact CD2-CG1 3.42Å; Y124-I140 VanDerWaalsContact CD2-CG1 3.42Å; Y124-I140 HydrophobicContact CE1-CB 4.31Å; Y124-I140 HydrophobicContact CE1-CG1 3.65Å; Y124-I140 HydrophobicContact CE2-CD1 4.47Å; Y124-I140 HydrophobicContact CE2-CG1 3.74Å; Y124-I140 HydrophobicContact CG-CD1 3.71Å; Y124-I140 HydrophobicContact CG-CG1 3.22Å; L132-I140 HydrophobicContact CD1-CD1 3.8Å; E136-I140 WeakPolarHBondContact O-CG1 3.45Å; E136-I140 PolarHBondContact O-N 3.08Å; V137-I140 WeakPolarHBondContact O-CB 3.39Å; V137-I140 PolarHBondContact O-N 3.21Å; V137-I140 VanDerWaalsContact O-N 3.13Å; I140-A142 PolarHBondContact O-N 3.03Å; I140-Q143 PolarHBondContact O-N 2.93Å; I140-M144 HydrophobicContact CG2-CG 4.17Å; I140-M144 HydrophobicContact CG2-SD 3.72Å; I140-M144 WeakPolarHBondContact O-CB 3.41Å; I140-M144 WeakPolarHBondContact O-CG 3.14Å; I140-M144 PolarHBondContact O-N 2.77Å; I140-M166 HydrophobicContact CB-CE 4.34Å; I140-M166 HydrophobicContact CG2-CE 3.69Å; I140-W182 HydrophobicContact CD1-CH2 3.93Å; I140-W182 HydrophobicContact CD1-CZ3 4.04Å; I140-W182 HydrophobicContact CG2-CH2 3.99Å
141I65.2Low65Low7 Ų746.2 Ų46.24%0.03625%0.25CC..Hα-helixtrans-59.9-47.8-179.7-65178.1000110.3V137 D138 R139 Q143 M144 M145 L162 K163 M166V137-I141 HydrophobicContact CG1-CD1 4.22Å; V137-I141 WeakPolarHBondContact O-CG1 3.45Å; V137-I141 PolarHBondContact O-N 2.87Å; D138-I141 PolarHBondContact O-N 2.83Å; R139-I141 VanDerWaalsContact C-N 3.33Å; I141-Q143 PolarHBondContact O-N 2.82Å; I141-M144 CarbonylContact O-C 3.6Å; I141-M144 PolarHBondContact O-N 3.23Å; I141-M145 HydrophobicContact CG2-CG 4.21Å; I141-M145 WeakPolarHBondContact O-CB 3.41Å; I141-M145 VanDerWaalsContact O-CG 3.3Å; I141-M145 WeakPolarHBondContact O-CG 3.17Å; I141-M145 PolarHBondContact O-N 3.31Å; I141-L162 HydrophobicContact CD1-CB 4.37Å; I141-L162 HydrophobicContact CG1-CB 4.06Å; I141-L162 HydrophobicContact CG2-CB 4.05Å; I141-L162 HydrophobicContact CG2-CD1 4.15Å; I141-K163 HydrophobicContact CD1-CG 3.81Å; I141-M166 HydrophobicContact CD1-CG 3.8Å; I141-M166 HydrophobicContact CG1-CE 4.14Å; I141-M166 HydrophobicContact CG1-CG 4.06Å
142A65.3Low63.2Low46 Ų4647.8 Ų47.838%0.3826%0.257SS..Hα-helixtrans-59.4-45.3178.800000111.8D138 R139 I140 M144 M145 H146D138-A142 WeakPolarHBondContact O-CB 3.4Å; D138-A142 PolarHBondContact O-N 3.35Å; R139-A142 PolarHBondContact O-N 3.01Å; I140-A142 PolarHBondContact O-N 3.03Å; A142-M144 PolarHBondContact O-N 3.35Å; A142-M145 PolarHBondContact O-N 3.15Å; A142-H146 PolarHBondContact O-CD2 3.3Å; A142-H146 PolarHBondContact O-N 3.18Å
143Q59.1Low61.8Low58 Ų5849.1 Ų49.127%0.27126%0.262SS..Hα-helixtrans-66.7-38.2178.3-172.9166.4-11.300112.1Y124 R139 I140 I141 A147Y124-Q143 PolarHBondContact OH-OE1 2.9Å; R139-Q143 WeakPolarHBondContact O-CB 3.3Å; R139-Q143 PolarHBondContact O-N 3.28Å; I140-Q143 PolarHBondContact O-N 2.93Å; I141-Q143 PolarHBondContact O-N 2.82Å; Q143-A147 WeakPolarHBondContact O-CB 3.36Å; Q143-A147 PolarHBondContact O-N 2.87Å
144M58.3Low60.6Low15 Ų1549 Ų497%0.07426%0.262CS..Hα-helixtrans-69.4-34.7174.1-68.9-174.987.100112.5I140 I141 A142 A147 A148 L162 L192 L195 L196I140-M144 HydrophobicContact CG2-CG 4.17Å; I140-M144 HydrophobicContact CG2-SD 3.72Å; I140-M144 WeakPolarHBondContact O-CB 3.41Å; I140-M144 WeakPolarHBondContact O-CG 3.14Å; I140-M144 PolarHBondContact O-N 2.77Å; I141-M144 CarbonylContact O-C 3.6Å; I141-M144 PolarHBondContact O-N 3.23Å; A142-M144 PolarHBondContact O-N 3.35Å; M144-A147 PolarHBondContact O-N 3.44Å; M144-A148 VanDerWaalsContact O-CB 3.25Å; M144-A148 WeakPolarHBondContact O-CB 3.43Å; M144-A148 PolarHBondContact O-N 2.97Å; M144-L162 HydrophobicContact CB-CD1 3.61Å; M144-L162 HydrophobicContact CE-CD2 4.49Å; M144-L162 HydrophobicContact CG-CD1 4.5Å; M144-L162 HydrophobicContact SD-CD1 4.14Å; M144-L162 HydrophobicContact SD-CD2 4.48Å; M144-L192 HydrophobicContact CE-CD1 3.13Å; M144-L192 HydrophobicContact SD-CD1 3.87Å; M144-L195 HydrophobicContact CE-CB 3.99Å; M144-L195 HydrophobicContact CE-CD1 3.95Å; M144-L195 HydrophobicContact CE-CG 4.46Å; M144-L196 HydrophobicContact CE-CD2 3.98Å; M144-L196 HydrophobicContact CE-CG 4.23Å
145M62.6Low59.9Low16 Ų1646.4 Ų46.48%0.07924%0.242CC..Hα-helixtrans-66.2-47.2173.2-75.3-52.282.800110.7I141 A142 A147 A148 E149 V155 L158 E159 L162I141-M145 HydrophobicContact CG2-CG 4.21Å; I141-M145 WeakPolarHBondContact O-CB 3.41Å; I141-M145 VanDerWaalsContact O-CG 3.3Å; I141-M145 WeakPolarHBondContact O-CG 3.17Å; I141-M145 PolarHBondContact O-N 3.31Å; A142-M145 PolarHBondContact O-N 3.15Å; M145-A147 VanDerWaalsContact C-N 3.33Å; M145-A147 PolarHBondContact O-N 3.16Å; M145-A148 HydrophobicContact CE-CB 4.38Å; M145-A148 PolarHBondContact O-N 3.14Å; M145-A148 VanDerWaalsContact O-N 3.08Å; M145-E149 WeakPolarHBondContact O-CG 3.37Å; M145-E149 PolarHBondContact O-N 2.91Å; M145-V155 HydrophobicContact SD-CB 4.2Å; M145-V155 HydrophobicContact SD-CG1 4.15Å; M145-L158 HydrophobicContact CE-CB 4.03Å; M145-L158 HydrophobicContact CE-CD2 3.37Å; M145-L158 HydrophobicContact CE-CG 3.47Å; M145-L158 VanDerWaalsContact CE-CG 3.47Å; M145-L158 HydrophobicContact SD-CB 4.1Å; M145-L158 HydrophobicContact SD-CD2 4.23Å; M145-L158 HydrophobicContact SD-CG 4.22Å; M145-E159 HydrophobicContact CG-CB 4.34Å; M145-E159 HydrophobicContact CG-CG 4.34Å; M145-E159 HydrophobicContact SD-CB 3.77Å; M145-E159 HydrophobicContact SD-CG 4.4Å; M145-E159 PolarHBondContact SD-N 3.31Å; M145-L162 HydrophobicContact CE-CD1 3.1Å; M145-L162 HydrophobicContact CE-CG 3.78Å; M145-L162 HydrophobicContact SD-CD1 4.45Å
146H58.4Low59.3Low129 Ų12948.4 Ų48.460%0.59726%0.256SS*.Hα-helixtrans-57.5-45.6172.9-82.6-60.7000111.8A142 A148 Y150A142-H146 PolarHBondContact O-CD2 3.3Å; A142-H146 PolarHBondContact O-N 3.18Å; H146-A148 VanDerWaalsContact C-N 3.3Å; H146-A148 PolarHBondContact O-N 2.92Å; H146-Y150 WeakPolarHBondContact O-CB 3.39Å; H146-Y150 PolarHBondContact O-N 3.17Å
147A51.2Low58.6Low43 Ų4351.8 Ų51.836%0.35527%0.272SS..Hα-helixtrans-62.4-36.4175.800000112.6Q143 M144 M145 L151Q143-A147 WeakPolarHBondContact O-CB 3.36Å; Q143-A147 PolarHBondContact O-N 2.87Å; M144-A147 PolarHBondContact O-N 3.44Å; M145-A147 VanDerWaalsContact C-N 3.33Å; M145-A147 PolarHBondContact O-N 3.16Å; A147-L151 WeakPolarHBondContact O-CB 3.28Å; A147-L151 WeakPolarHBondContact O-CD1 3.38Å; A147-L151 WeakPolarHBondContact O-CG 3.32Å; A147-L151 PolarHBondContact O-N 2.99Å; A147-L151 VanDerWaalsContact O-N 3.11Å
148A52.6Low58.2Low0 Ų051.8 Ų51.80%027%0.271CS..Hα-helixtrans-72.3-50.3178.600000112.4M144 M145 H146 Y150 L151 D152 W153 V155 L158 L195M144-A148 VanDerWaalsContact O-CB 3.25Å; M144-A148 WeakPolarHBondContact O-CB 3.43Å; M144-A148 PolarHBondContact O-N 2.97Å; M145-A148 HydrophobicContact CE-CB 4.38Å; M145-A148 PolarHBondContact O-N 3.14Å; M145-A148 VanDerWaalsContact O-N 3.08Å; H146-A148 VanDerWaalsContact C-N 3.3Å; H146-A148 PolarHBondContact O-N 2.92Å; A148-Y150 PolarHBondContact O-N 2.84Å; A148-L151 CarbonylContact O-C 3.59Å; A148-L151 PolarHBondContact O-N 2.8Å; A148-L151 VanDerWaalsContact O-N 3.08Å; A148-D152 PolarHBondContact O-N 3.14Å; A148-W153 HydrophobicContact CB-CB 3.9Å; A148-W153 HydrophobicContact CB-CD2 3.95Å; A148-W153 HydrophobicContact CB-CE3 4.02Å; A148-W153 HydrophobicContact CB-CG 3.95Å; A148-W153 WeakPolarHBondContact O-CB 3.38Å; A148-W153 VanDerWaalsContact O-CG 3.24Å; A148-W153 PolarHBondContact O-N 3.46Å; A148-V155 HydrophobicContact CB-CG1 4.02Å; A148-L158 HydrophobicContact CB-CD2 3.28Å; A148-L195 HydrophobicContact CB-CD2 4.35Å
149E55Low58.1Low100 Ų10051.8 Ų51.847%0.46727%0.268SS..Hα-helixtrans-52.1-47.3173.1-71.9-176.3168.700110.4M145 L151 D152 V155M145-E149 WeakPolarHBondContact O-CG 3.37Å; M145-E149 PolarHBondContact O-N 2.91Å; E149-L151 VanDerWaalsContact C-N 3.28Å; E149-L151 PolarHBondContact O-N 3.39Å; E149-D152 WeakPolarHBondContact O-CA 3.42Å; E149-D152 PolarHBondContact O-N 2.7Å; E149-V155 HydrophobicContact CB-CG1 4.27Å; E149-V155 HydrophobicContact CG-CB 4.03Å; E149-V155 HydrophobicContact CG-CG1 3.33Å; E149-V155 HydrophobicContact CG-CG2 3.66Å
150Y49.1Very low58.1Low35 Ų3549 Ų4914%0.13727%0.266CS..Hα-helixtrans-59.5-38.2179.7-177-79.5000112.9L12 N13 P14 F17 H146 A148 D152L12-Y150 HydrophobicContact CD2-CE2 4.46Å; N13-Y150 VanDerWaalsContact C-CE2 3.41Å; N13-Y150 WeakPolarHBondContact O-CE2 3.47Å; N13-Y150 VanDerWaalsContact O-CZ 3.28Å; N13-Y150 PolarHBondContact O-OH 2.93Å; P14-Y150 WeakPolarHBondContact CA-OH 3.34Å; P14-Y150 PolarHBondContact O-OH 3.43Å; F17-Y150 WeakPolarHBondContact CA-OH 3.46Å; F17-Y150 HydrophobicContact CB-CD1 4.49Å; F17-Y150 HydrophobicContact CB-CE1 3.54Å; F17-Y150 HydrophobicContact CB-CE2 4.06Å; F17-Y150 WeakPolarHBondContact CB-OH 3.4Å; F17-Y150 AromaticContact CD1-CD1 3.64Å; F17-Y150 HydrophobicContact CD1-CD1 3.64Å; F17-Y150 AromaticContact CD1-CE1 3.01Å; F17-Y150 HydrophobicContact CD1-CE1 3.01Å; F17-Y150 AromaticContact CD1-CZ 3.77Å; F17-Y150 HydrophobicContact CD2-CE1 4.28Å; F17-Y150 AromaticContact CE1-CD1 3.89Å; F17-Y150 HydrophobicContact CE1-CD1 3.89Å; F17-Y150 AromaticContact CE1-CE1 3.72Å; F17-Y150 HydrophobicContact CE1-CE1 3.72Å; F17-Y150 AromaticContact CG-CD1 3.99Å; F17-Y150 HydrophobicContact CG-CD1 3.99Å; F17-Y150 AromaticContact CG-CE1 3.33Å; F17-Y150 HydrophobicContact CG-CE1 3.33Å; F17-Y150 AromaticContact CG-CZ 3.64Å; F17-Y150 HydrophobicContact CZ-CD1 4.47Å; F17-Y150 PolarHBondContact N-OH 3.17Å; H146-Y150 WeakPolarHBondContact O-CB 3.39Å; H146-Y150 PolarHBondContact O-N 3.17Å; A148-Y150 PolarHBondContact O-N 2.84Å; Y150-D152 PolarHBondContact O-N 2.68Å
151L44.4Very low58.1Low51 Ų5149.5 Ų49.527%0.26727%0.269SS..THydrogen-bonded Turntrans-80.713.8177.4-72.3171.7000113F17 A147 A148 E149 W153 K232F17-L151 HydrophobicContact CE1-CD2 3.87Å; A147-L151 WeakPolarHBondContact O-CB 3.28Å; A147-L151 WeakPolarHBondContact O-CD1 3.38Å; A147-L151 WeakPolarHBondContact O-CG 3.32Å; A147-L151 PolarHBondContact O-N 2.99Å; A147-L151 VanDerWaalsContact O-N 3.11Å; A148-L151 CarbonylContact O-C 3.59Å; A148-L151 PolarHBondContact O-N 2.8Å; A148-L151 VanDerWaalsContact O-N 3.08Å; E149-L151 VanDerWaalsContact C-N 3.28Å; E149-L151 PolarHBondContact O-N 3.39Å; L151-W153 HydrophobicContact CB-CG 4.43Å; L151-W153 HydrophobicContact CD1-CZ2 4.31Å; L151-W153 VanDerWaalsContact O-CD1 3.26Å; L151-K232 PolarHBondContact O-NZ 3.33Å
152D45.6Very low58.1Low77 Ų7749.1 Ų49.141%0.41227%0.267SS..THydrogen-bonded Turntrans60.942.5-173.6-86.1-9.6000113.1A148 E149 Y150 R231A148-D152 PolarHBondContact O-N 3.14Å; E149-D152 WeakPolarHBondContact O-CA 3.42Å; E149-D152 PolarHBondContact O-N 2.7Å; Y150-D152 PolarHBondContact O-N 2.68Å; D152-R231 IonicContact OD2-CZ 3.68Å; D152-R231 IonicContact OD2-NH1 2.71Å; D152-R231 PolarHBondContact OD2-NH1 2.85Å
153W51.8Low58.4Low28 Ų2851.2 Ų51.211%0.10627%0.268CS..  trans-90.6148.9175-61.534.9000110.1A148 L151 V155 L158 L195 M211 K232A148-W153 HydrophobicContact CB-CB 3.9Å; A148-W153 HydrophobicContact CB-CD2 3.95Å; A148-W153 HydrophobicContact CB-CE3 4.02Å; A148-W153 HydrophobicContact CB-CG 3.95Å; A148-W153 WeakPolarHBondContact O-CB 3.38Å; A148-W153 VanDerWaalsContact O-CG 3.24Å; A148-W153 PolarHBondContact O-N 3.46Å; L151-W153 HydrophobicContact CB-CG 4.43Å; L151-W153 HydrophobicContact CD1-CZ2 4.31Å; L151-W153 VanDerWaalsContact O-CD1 3.26Å; W153-V155 PolarHBondContact O-N 3.15Å; W153-L158 HydrophobicContact CE3-CD1 4.33Å; W153-L158 HydrophobicContact CE3-CD2 3.62Å; W153-L158 HydrophobicContact CZ3-CD1 4.4Å; W153-L158 HydrophobicContact CZ3-CD2 4.24Å; W153-L195 HydrophobicContact CD2-CD2 4.41Å; W153-L195 HydrophobicContact CE3-CD2 3.67Å; W153-L195 HydrophobicContact CE3-CG 4.38Å; W153-L195 HydrophobicContact CH2-CB 4.12Å; W153-L195 HydrophobicContact CH2-CD2 3.15Å; W153-L195 HydrophobicContact CH2-CG 3.41Å; W153-L195 VanDerWaalsContact CH2-CG 3.41Å; W153-L195 HydrophobicContact CZ2-CD2 3.9Å; W153-L195 HydrophobicContact CZ2-CG 4.5Å; W153-L195 HydrophobicContact CZ3-CB 4.47Å; W153-L195 HydrophobicContact CZ3-CD1 4.24Å; W153-L195 HydrophobicContact CZ3-CD2 3.01Å; W153-L195 HydrophobicContact CZ3-CG 3.32Å; W153-M211 HydrophobicContact CD2-CE 4.27Å; W153-M211 HydrophobicContact CE3-CE 3.9Å; W153-M211 HydrophobicContact CH2-CE 4.36Å; W153-M211 HydrophobicContact CH2-CG 3.71Å; W153-M211 HydrophobicContact CH2-SD 4.17Å; W153-M211 HydrophobicContact CZ2-CG 3.96Å; W153-M211 HydrophobicContact CZ3-CE 3.91Å; W153-M211 HydrophobicContact CZ3-CG 4.19Å; W153-M211 HydrophobicContact CZ3-SD 4.08Å; W153-K232 VanDerWaalsContact CD1-CD 3.44Å; W153-K232 HydrophobicContact CG-CD 4.05Å
154D56.6Low59Low47 Ų4753.5 Ų53.525%0.25128%0.282SS..  trans-77.7101.4168.1-167.5-17.5000108.9S156 G229D154-S156 VanDerWaalsContact C-N 3.34Å; D154-S156 VanDerWaalsContact OD1-CB 3.24Å; D154-S156 WeakPolarHBondContact OD1-CB 3.38Å; D154-S156 PolarHBondContact OD1-N 2.72Å; D154-S156 PolarHBondContact OD1-OG 3.49Å; D154-G229 WeakPolarHBondContact OD2-CA 3.2Å
155V63Low59.5Low30 Ų3053 Ų5318%0.18228%0.279CS..G310 helixtrans-80.2-16-177.3-700000114M145 A148 E149 W153 E157 L158 E159M145-V155 HydrophobicContact SD-CB 4.2Å; M145-V155 HydrophobicContact SD-CG1 4.15Å; A148-V155 HydrophobicContact CB-CG1 4.02Å; E149-V155 HydrophobicContact CB-CG1 4.27Å; E149-V155 HydrophobicContact CG-CB 4.03Å; E149-V155 HydrophobicContact CG-CG1 3.33Å; E149-V155 HydrophobicContact CG-CG2 3.66Å; W153-V155 PolarHBondContact O-N 3.15Å; V155-E157 PolarHBondContact O-N 3.29Å; V155-L158 HydrophobicContact CG1-CD2 4.45Å; V155-L158 PolarHBondContact O-N 3Å; V155-E159 PolarHBondContact O-N 3.05Å
156S63.5Low59.8Low95 Ų9552.8 Ų52.866%0.66428%0.278SS*.G310 helixtrans-54.1-31.3177.1-31.50000112.3D154D154-S156 VanDerWaalsContact C-N 3.34Å; D154-S156 VanDerWaalsContact OD1-CB 3.24Å; D154-S156 WeakPolarHBondContact OD1-CB 3.38Å; D154-S156 PolarHBondContact OD1-N 2.72Å; D154-S156 PolarHBondContact OD1-OG 3.49Å
157E58.8Low60.5Low80 Ų8051.6 Ų51.637%0.37428%0.28SS..G310 helixtrans-105.3-6.1-178.6-69.9-78.2176.500112.9V155 V161 R247V155-E157 PolarHBondContact O-N 3.29Å; E157-V161 WeakPolarHBondContact O-CG2 3.48Å; E157-R247 IonicContact OE1-NH1 3.43Å; E157-R247 IonicContact OE1-NH2 2.77Å; E157-R247 IonicContact OE2-CZ 3.4Å; E157-R247 IonicContact OE2-NH1 3.66Å; E157-R247 PolarHBondContact OE2-NH1 2.52Å; E157-R247 IonicContact OE2-NH2 3.38Å; E157-R247 PolarHBondContact OE2-NH2 3.39Å
158L62.6Low61.6Low16 Ų1653.1 Ų53.18%0.08429%0.293CS..THydrogen-bonded Turntrans-100.2-37.8-170.7-165.666.3000112.7M145 A148 W153 V155 V161 L162 L195M145-L158 HydrophobicContact CE-CB 4.03Å; M145-L158 HydrophobicContact CE-CD2 3.37Å; M145-L158 HydrophobicContact CE-CG 3.47Å; M145-L158 VanDerWaalsContact CE-CG 3.47Å; M145-L158 HydrophobicContact SD-CB 4.1Å; M145-L158 HydrophobicContact SD-CD2 4.23Å; M145-L158 HydrophobicContact SD-CG 4.22Å; A148-L158 HydrophobicContact CB-CD2 3.28Å; W153-L158 HydrophobicContact CE3-CD1 4.33Å; W153-L158 HydrophobicContact CE3-CD2 3.62Å; W153-L158 HydrophobicContact CZ3-CD1 4.4Å; W153-L158 HydrophobicContact CZ3-CD2 4.24Å; V155-L158 HydrophobicContact CG1-CD2 4.45Å; V155-L158 PolarHBondContact O-N 3Å; L158-V161 WeakPolarHBondContact O-CA 3.5Å; L158-V161 WeakPolarHBondContact O-CB 3.44Å; L158-V161 PolarHBondContact O-N 2.94Å; L158-V161 VanDerWaalsContact O-N 3.07Å; L158-L162 PolarHBondContact O-N 2.81Å; L158-L195 HydrophobicContact CD1-CD1 4.25Å; L158-L195 HydrophobicContact CD2-CD2 4.33Å
159E67.1Low62.8Low89 Ų8953.3 Ų53.342%0.41629%0.294SS..Hα-helixtrans-58.6-45.8176.8-168-164.815800112M145 V155 V161 L162 K163M145-E159 HydrophobicContact CG-CB 4.34Å; M145-E159 HydrophobicContact CG-CG 4.34Å; M145-E159 HydrophobicContact SD-CB 3.77Å; M145-E159 HydrophobicContact SD-CG 4.4Å; M145-E159 PolarHBondContact SD-N 3.31Å; V155-E159 PolarHBondContact O-N 3.05Å; E159-V161 VanDerWaalsContact C-N 3.25Å; E159-V161 PolarHBondContact O-N 2.95Å; E159-L162 PolarHBondContact O-N 2.82Å; E159-K163 PolarHBondContact O-N 3.01Å; E159-K163 IonicContact OE1-NZ 2.69Å; E159-K163 PolarHBondContact OE1-NZ 2.81Å
160P65.9Low64.1Low64 Ų6449.6 Ų49.642%0.41628%0.277SS..Hα-helixtrans-63.9-32.9174.8-19.133.4000112.1K163 D164P160-K163 PolarHBondContact O-N 2.91Å; P160-D164 VanDerWaalsContact O-CB 3.31Å; P160-D164 WeakPolarHBondContact O-CB 3.37Å; P160-D164 PolarHBondContact O-N 3.42Å
161V64.1Low65.4Low13 Ų1351.8 Ų51.88%0.07930%0.303CS..Hα-helixtrans-68.4-39.9178.2171.70000111.8E157 L158 E159 M165 P191 R247E157-V161 WeakPolarHBondContact O-CG2 3.48Å; L158-V161 WeakPolarHBondContact O-CA 3.5Å; L158-V161 WeakPolarHBondContact O-CB 3.44Å; L158-V161 PolarHBondContact O-N 2.94Å; L158-V161 VanDerWaalsContact O-N 3.07Å; E159-V161 VanDerWaalsContact C-N 3.25Å; E159-V161 PolarHBondContact O-N 2.95Å; V161-M165 WeakPolarHBondContact O-CB 3.44Å; V161-M165 PolarHBondContact O-N 3.42Å; V161-P191 HydrophobicContact CG1-CB 4.28Å; V161-P191 HydrophobicContact CG1-CG 4.41Å; V161-R247 HydrophobicContact CG2-CB 3.56Å
162L64.4Low67.2Low0 Ų054.4 Ų54.40%032%0.317CS..Hα-helixtrans-69.1-41.5175.6-67.7-165.3000111.2I141 M144 M145 L158 E159 M165 M166 L195I141-L162 HydrophobicContact CD1-CB 4.37Å; I141-L162 HydrophobicContact CG1-CB 4.06Å; I141-L162 HydrophobicContact CG2-CB 4.05Å; I141-L162 HydrophobicContact CG2-CD1 4.15Å; M144-L162 HydrophobicContact CB-CD1 3.61Å; M144-L162 HydrophobicContact CE-CD2 4.49Å; M144-L162 HydrophobicContact CG-CD1 4.5Å; M144-L162 HydrophobicContact SD-CD1 4.14Å; M144-L162 HydrophobicContact SD-CD2 4.48Å; M145-L162 HydrophobicContact CE-CD1 3.1Å; M145-L162 HydrophobicContact CE-CG 3.78Å; M145-L162 HydrophobicContact SD-CD1 4.45Å; L158-L162 PolarHBondContact O-N 2.81Å; E159-L162 PolarHBondContact O-N 2.82Å; L162-M165 HydrophobicContact CD2-CE 3.69Å; L162-M165 HydrophobicContact CD2-SD 4.15Å; L162-M165 WeakPolarHBondContact O-CB 3.15Å; L162-M165 PolarHBondContact O-N 3.1Å; L162-M166 VanDerWaalsContact O-CG 3.26Å; L162-M166 WeakPolarHBondContact O-CG 3.37Å; L162-M166 PolarHBondContact O-N 3.22Å; L162-L195 HydrophobicContact CD2-CD1 3.8Å
163K72.8Confident68.9Low90 Ų9055.5 Ų55.539%0.39133%0.33SS..Hα-helixtrans-62.4-46.7175.5-74.5176.1170166.30112.6I141 E159 P160 M165 M166 T167I141-K163 HydrophobicContact CD1-CG 3.81Å; E159-K163 PolarHBondContact O-N 3.01Å; E159-K163 IonicContact OE1-NZ 2.69Å; E159-K163 PolarHBondContact OE1-NZ 2.81Å; P160-K163 PolarHBondContact O-N 2.91Å; K163-M165 VanDerWaalsContact C-N 3.26Å; K163-M165 PolarHBondContact O-N 2.77Å; K163-M166 PolarHBondContact O-N 3.36Å; K163-T167 PolarHBondContact O-N 2.91Å; K163-T167 VanDerWaalsContact O-N 3.09Å; K163-T167 PolarHBondContact O-OG1 2.98Å
164D71.6Confident70.4Confident106 Ų10657.2 Ų57.257%0.56735%0.347SS*.Hα-helixtrans-60.6-38.6174.2-75.8-7.1000111.2P160 A168P160-D164 VanDerWaalsContact O-CB 3.31Å; P160-D164 WeakPolarHBondContact O-CB 3.37Å; P160-D164 PolarHBondContact O-N 3.42Å; D164-A168 WeakPolarHBondContact O-CB 3.5Å; D164-A168 PolarHBondContact O-N 3.15Å
165M67.6Low71.4Confident5 Ų557.3 Ų57.33%0.02536%0.359CS..Hα-helixtrans-63.5-48176.2161.9179.9100.600111.8V161 L162 K163 T167 A168 I169 N189 L192V161-M165 WeakPolarHBondContact O-CB 3.44Å; V161-M165 PolarHBondContact O-N 3.42Å; L162-M165 HydrophobicContact CD2-CE 3.69Å; L162-M165 HydrophobicContact CD2-SD 4.15Å; L162-M165 WeakPolarHBondContact O-CB 3.15Å; L162-M165 PolarHBondContact O-N 3.1Å; K163-M165 VanDerWaalsContact C-N 3.26Å; K163-M165 PolarHBondContact O-N 2.77Å; M165-T167 VanDerWaalsContact C-N 3.26Å; M165-T167 PolarHBondContact O-N 3.24Å; M165-A168 CarbonylContact O-C 3.52Å; M165-A168 WeakPolarHBondContact O-CA 3.23Å; M165-A168 PolarHBondContact O-N 3.12Å; M165-I169 HydrophobicContact CE-CD1 4.42Å; M165-I169 HydrophobicContact CG-CD1 3.57Å; M165-I169 HydrophobicContact CG-CG1 4.2Å; M165-I169 VanDerWaalsContact O-CG1 3.25Å; M165-I169 WeakPolarHBondContact O-CG1 3.24Å; M165-I169 PolarHBondContact O-N 2.99Å; M165-I169 HydrophobicContact SD-CD1 4.37Å; M165-N189 WeakPolarHBondContact CG-ND2 3.33Å; M165-N189 HydrophobicContact SD-CB 4.3Å; M165-N189 PolarHBondContact SD-ND2 2.97Å; M165-N189 VanDerWaalsContact SD-ND2 3.4Å; M165-N189 PolarHBondContact SD-OD1 3.11Å; M165-L192 HydrophobicContact CE-CB 4.37Å; M165-L192 HydrophobicContact CE-CD1 3.85Å; M165-L192 HydrophobicContact CE-CD2 3.95Å; M165-L192 HydrophobicContact CE-CG 4.27Å; M165-L192 HydrophobicContact SD-CB 3.62Å; M165-L192 HydrophobicContact SD-CD1 4.23Å; M165-L192 HydrophobicContact SD-CD2 3.9Å; M165-L192 HydrophobicContact SD-CG 4.12Å
166M69.4Low72.4Confident10 Ų1058.1 Ų58.15%0.04936%0.364CS..Hα-helixtrans-64.8-36.6-178-63-51.8-175.900111.4V137 I140 I141 L162 K163 A168 I169 D170 W182V137-M166 HydrophobicContact CG1-CB 3.55Å; V137-M166 HydrophobicContact CG1-CG 3.44Å; V137-M166 VanDerWaalsContact CG1-CG 3.44Å; V137-M166 HydrophobicContact CG1-SD 4.21Å; I140-M166 HydrophobicContact CB-CE 4.34Å; I140-M166 HydrophobicContact CG2-CE 3.69Å; I141-M166 HydrophobicContact CD1-CG 3.8Å; I141-M166 HydrophobicContact CG1-CE 4.14Å; I141-M166 HydrophobicContact CG1-CG 4.06Å; L162-M166 VanDerWaalsContact O-CG 3.26Å; L162-M166 WeakPolarHBondContact O-CG 3.37Å; L162-M166 PolarHBondContact O-N 3.22Å; K163-M166 PolarHBondContact O-N 3.36Å; M166-A168 VanDerWaalsContact C-N 3.3Å; M166-A168 PolarHBondContact O-N 3.26Å; M166-I169 PolarHBondContact O-N 2.91Å; M166-I169 HydrophobicContact SD-CD1 4.07Å; M166-D170 PolarHBondContact O-N 3.02Å; M166-W182 HydrophobicContact CE-CH2 3.8Å; M166-W182 HydrophobicContact CE-CZ3 3.67Å; M166-W182 HydrophobicContact SD-CH2 4.31Å; M166-W182 HydrophobicContact SD-CZ3 3.59Å; M166-W182 VanDerWaalsContact SD-CZ3 3.59Å
167T74.6Confident73.3Confident104 Ų10453.8 Ų53.864%0.63833%0.334SS*.Hα-helixtrans-63.7-35.4171.2-48.10000112.1K163 M165K163-T167 PolarHBondContact O-N 2.91Å; K163-T167 VanDerWaalsContact O-N 3.09Å; K163-T167 PolarHBondContact O-OG1 2.98Å; M165-T167 VanDerWaalsContact C-N 3.26Å; M165-T167 PolarHBondContact O-N 3.24Å
168A73.1Confident74.7Confident76 Ų7651.6 Ų51.663%0.62833%0.327SS*.Hα-helixtrans-81.1-17.8179.500000114D164 M165 M166D164-A168 WeakPolarHBondContact O-CB 3.5Å; D164-A168 PolarHBondContact O-N 3.15Å; M165-A168 CarbonylContact O-C 3.52Å; M165-A168 WeakPolarHBondContact O-CA 3.23Å; M165-A168 PolarHBondContact O-N 3.12Å; M166-A168 VanDerWaalsContact C-N 3.3Å; M166-A168 PolarHBondContact O-N 3.26Å
169I78.3Confident75.6Confident4 Ų453 Ų532%0.02134%0.335CS..Hα-helixtrans-80.4-35.1176-72172.3000110.3M165 M166 A171 V177 E181 W182 L192M165-I169 HydrophobicContact CE-CD1 4.42Å; M165-I169 HydrophobicContact CG-CD1 3.57Å; M165-I169 HydrophobicContact CG-CG1 4.2Å; M165-I169 VanDerWaalsContact O-CG1 3.25Å; M165-I169 WeakPolarHBondContact O-CG1 3.24Å; M165-I169 PolarHBondContact O-N 2.99Å; M165-I169 HydrophobicContact SD-CD1 4.37Å; M166-I169 PolarHBondContact O-N 2.91Å; M166-I169 HydrophobicContact SD-CD1 4.07Å; I169-A171 VanDerWaalsContact C-N 3.26Å; I169-A171 PolarHBondContact O-N 2.99Å; I169-V177 HydrophobicContact CG2-CG1 3.51Å; I169-V177 HydrophobicContact CG2-CG2 4.27Å; I169-E181 WeakPolarHBondContact CG2-O 3.41Å; I169-W182 HydrophobicContact CD1-CE3 4.44Å; I169-W182 HydrophobicContact CD1-CZ3 4.43Å; I169-W182 HydrophobicContact CG2-CE3 4.46Å; I169-L192 HydrophobicContact CD1-CD2 4.45Å
170D81.1Confident76.3Confident22 Ų2254.5 Ų54.512%0.11835%0.345CS..  trans-66.881.4168.9-179.66.3000110.3M166 D172 S173 S174 G175 V177M166-D170 PolarHBondContact O-N 3.02Å; D170-D172 VanDerWaalsContact C-N 3.35Å; D170-D172 VanDerWaalsContact OD1-OD1 3.07Å; D170-S173 PolarHBondContact O-N 2.86Å; D170-S173 WeakPolarHBondContact OD1-CA 3.49Å; D170-S173 PolarHBondContact OD1-N 3.11Å; D170-S173 WeakPolarHBondContact OD2-CA 3.46Å; D170-S174 PolarHBondContact OD1-N 2.56Å; D170-S174 PolarHBondContact OD2-N 2.87Å; D170-G175 WeakPolarHBondContact OD2-CA 3.3Å; D170-G175 PolarHBondContact OD2-N 2.99Å; D170-V177 HydrophobicContact CB-CG2 4.06Å
171A77.3Confident77.1Confident81 Ų8152.7 Ų52.767%0.66933%0.331SS*.SBendtrans-73.5-30.4-169.700000111.9I169 E181I169-A171 VanDerWaalsContact C-N 3.26Å; I169-A171 PolarHBondContact O-N 2.99Å; A171-E181 HydrophobicContact CB-CG 4.38Å; A171-E181 PolarHBondContact N-OE1 2.82Å; A171-E181 VanDerWaalsContact N-OE1 3.16Å
172D82.6Confident77.9Confident106 Ų10652.2 Ų52.257%0.56733%0.328SS*.SBendtrans-90-4.8176.876.21.2000113.9D170 S174 E181D170-D172 VanDerWaalsContact C-N 3.35Å; D170-D172 VanDerWaalsContact OD1-OD1 3.07Å; D172-S174 PolarHBondContact O-N 3.11Å; D172-S174 WeakPolarHBondContact OD1-CB 3.23Å; D172-S174 PolarHBondContact OD1-N 2.85Å; D172-S174 PolarHBondContact OD1-OG 2.92Å; D172-E181 PolarHBondContact N-OE1 3.32Å
173S81.1Confident78.4Confident99 Ų9952.8 Ų52.869%0.69233%0.332SS*.  trans57.932.8-178.8-560000112.6D170 G175D170-S173 PolarHBondContact O-N 2.86Å; D170-S173 WeakPolarHBondContact OD1-CA 3.49Å; D170-S173 PolarHBondContact OD1-N 3.11Å; D170-S173 WeakPolarHBondContact OD2-CA 3.46Å; S173-G175 PolarHBondContact O-N 3.01Å
174S82.6Confident78.7Confident64 Ų6455 Ų5545%0.44834%0.343SS..SBendtrans-71.4-14.9177.860.80000112.9D170 D172 T176D170-S174 PolarHBondContact OD1-N 2.56Å; D170-S174 PolarHBondContact OD2-N 2.87Å; D172-S174 PolarHBondContact O-N 3.11Å; D172-S174 WeakPolarHBondContact OD1-CB 3.23Å; D172-S174 PolarHBondContact OD1-N 2.85Å; D172-S174 PolarHBondContact OD1-OG 2.92Å; S174-T176 VanDerWaalsContact C-N 3.29Å; S174-T176 PolarHBondContact OG-N 2.9Å; S174-T176 PolarHBondContact OG-O 3.29Å; S174-T176 PolarHBondContact OG-OG1 3.1Å
175G78.9Confident78.9Confident50 Ų5050.9 Ų50.952%0.51533%0.326SS..SBendtrans83.25.2-173.500000113.6D170 S173D170-G175 WeakPolarHBondContact OD2-CA 3.3Å; D170-G175 PolarHBondContact OD2-N 2.99Å; S173-G175 PolarHBondContact O-N 3.01Å
176T82.9Confident79.1Confident46 Ų4650.7 Ų50.728%0.28233%0.325SS..SBendtrans-136.6152.7173.7560000109.2L132 D133 S174L132-T176 CarbonylContact O-C 3.53Å; L132-T176 VanDerWaalsContact O-CA 3.3Å; L132-T176 WeakPolarHBondContact O-CA 3.24Å; D133-T176 HydrophobicContact CB-CG2 4.46Å; S174-T176 VanDerWaalsContact C-N 3.29Å; S174-T176 PolarHBondContact OG-N 2.9Å; S174-T176 PolarHBondContact OG-O 3.29Å; S174-T176 PolarHBondContact OG-OG1 3.1Å
177V83.6Confident79.3Confident5 Ų553.2 Ų53.23%0.0334%0.338CS..EExtended strand (participates in β ladder)trans-109.7118.7-179.2175.50000109.9F121 V131 L132 I169 D170 E181 W182F121-V177 VanDerWaalsContact CE2-O 3.29Å; F121-V177 WeakPolarHBondContact CE2-O 3.38Å; V131-V177 CarbonylContact C-O 3.58Å; V131-V177 WeakPolarHBondContact CA-O 3.32Å; L132-V177 HydrophobicContact CB-CB 4.26Å; L132-V177 PolarHBondContact N-O 3.01Å; L132-V177 PolarHBondContact O-N 2.92Å; I169-V177 HydrophobicContact CG2-CG1 3.51Å; I169-V177 HydrophobicContact CG2-CG2 4.27Å; D170-V177 HydrophobicContact CB-CG2 4.06Å; V177-E181 HydrophobicContact CG1-CB 4.08Å; V177-W182 HydrophobicContact CG1-CB 3.83Å; V177-W182 HydrophobicContact CG1-CE3 4.32Å
178S87.3Confident79.2Confident33 Ų3353.5 Ų53.523%0.23134%0.335CS..EExtended strand (participates in β ladder)trans-75166.117466.90000113.1F121 D180 E181 W182F121-S178 WeakPolarHBondContact CE2-O 3.37Å; S178-D180 VanDerWaalsContact C-N 3.3Å; S178-D180 PolarHBondContact O-N 2.79Å; S178-E181 WeakPolarHBondContact CB-OE2 3.23Å; S178-E181 PolarHBondContact N-OE2 3.29Å; S178-E181 PolarHBondContact O-N 3.37Å; S178-E181 WeakPolarHBondContact OG-CB 3.03Å; S178-E181 VanDerWaalsContact OG-CG 3.26Å; S178-E181 WeakPolarHBondContact OG-CG 3.47Å; S178-E181 PolarHBondContact OG-N 3.03Å; S178-E181 PolarHBondContact OG-OE2 3.23Å; S178-W182 WeakPolarHBondContact O-CB 3.5Å; S178-W182 PolarHBondContact O-N 3.39Å
179L80.8Confident79.2Confident47 Ų4750.4 Ų50.425%0.24631%0.308CS..Hα-helixtrans-57.9-43.7177.717562000112E118 F121 W182 V183E118-L179 HydrophobicContact CB-CD1 4.4Å; E118-L179 HydrophobicContact CG-CD1 4.25Å; F121-L179 HydrophobicContact CB-CD1 3.54Å; F121-L179 HydrophobicContact CD1-CB 3.81Å; F121-L179 HydrophobicContact CD1-CD1 3.45Å; F121-L179 VanDerWaalsContact CD1-CD1 3.45Å; F121-L179 HydrophobicContact CD1-CG 4.15Å; F121-L179 HydrophobicContact CD2-CB 4.38Å; F121-L179 HydrophobicContact CD2-CD1 4.15Å; F121-L179 HydrophobicContact CE1-CB 3.61Å; F121-L179 HydrophobicContact CE1-CD1 4.2Å; F121-L179 HydrophobicContact CE1-CG 4.43Å; F121-L179 HydrophobicContact CE2-CB 4.19Å; F121-L179 HydrophobicContact CG-CB 4.18Å; F121-L179 HydrophobicContact CG-CD1 3.42Å; F121-L179 VanDerWaalsContact CG-CD1 3.42Å; F121-L179 HydrophobicContact CG-CG 4.39Å; F121-L179 VanDerWaalsContact CZ-CA 3.44Å; F121-L179 HydrophobicContact CZ-CB 3.81Å; L179-W182 PolarHBondContact O-N 3.06Å; L179-V183 HydrophobicContact CD1-CG2 3.91Å; L179-V183 HydrophobicContact CG-CG2 4.48Å; L179-V183 WeakPolarHBondContact O-CB 3.46Å; L179-V183 VanDerWaalsContact O-CG2 3.23Å; L179-V183 WeakPolarHBondContact O-CG2 3.26Å; L179-V183 PolarHBondContact O-N 3.27Å
180D82.7Confident78.8Confident119 Ų11950.8 Ų50.864%0.63631%0.311SS*.Hα-helixtrans-67.5-42.8-178.4-73.1-27.8000110.7S178 V183 E184S178-D180 VanDerWaalsContact C-N 3.3Å; S178-D180 PolarHBondContact O-N 2.79Å; D180-V183 PolarHBondContact O-N 3.13Å; D180-E184 WeakPolarHBondContact O-CB 3.48Å; D180-E184 PolarHBondContact O-N 3.49Å
181E83.6Confident78.1Confident26 Ų2650 Ų5012%0.12131%0.307CS..Hα-helixtrans-62.3-44.5174.2-75171.913100112.1I169 A171 D172 V177 S178 V183 G185I169-E181 WeakPolarHBondContact CG2-O 3.41Å; A171-E181 HydrophobicContact CB-CG 4.38Å; A171-E181 PolarHBondContact N-OE1 2.82Å; A171-E181 VanDerWaalsContact N-OE1 3.16Å; D172-E181 PolarHBondContact N-OE1 3.32Å; V177-E181 HydrophobicContact CG1-CB 4.08Å; S178-E181 WeakPolarHBondContact CB-OE2 3.23Å; S178-E181 PolarHBondContact N-OE2 3.29Å; S178-E181 PolarHBondContact O-N 3.37Å; S178-E181 WeakPolarHBondContact OG-CB 3.03Å; S178-E181 VanDerWaalsContact OG-CG 3.26Å; S178-E181 WeakPolarHBondContact OG-CG 3.47Å; S178-E181 PolarHBondContact OG-N 3.03Å; S178-E181 PolarHBondContact OG-OE2 3.23Å; E181-V183 PolarHBondContact O-N 3.14Å; E181-G185 WeakPolarHBondContact O-CA 3.45Å; E181-G185 PolarHBondContact O-N 3.42Å
182W80.1Confident77.6Confident4 Ų446.2 Ų46.22%0.01528%0.275CS..Hα-helixtrans-60.3-46.3176.8176-99.6000112.5L117 A120 F121 L132 I140 M166 I169 V177 S178 L179 G186L117-W182 HydrophobicContact CD2-CZ2 4.4Å; L117-W182 PolarHBondContact O-NE1 3.4Å; A120-W182 HydrophobicContact CB-CZ2 4.48Å; F121-W182 HydrophobicContact CB-CG 4.18Å; F121-W182 HydrophobicContact CD2-CB 3.43Å; F121-W182 VanDerWaalsContact CD2-CB 3.43Å; F121-W182 AromaticContact CD2-CD1 3.85Å; F121-W182 HydrophobicContact CD2-CD2 4.34Å; F121-W182 AromaticContact CD2-CG 3.58Å; F121-W182 HydrophobicContact CD2-CG 3.58Å; F121-W182 HydrophobicContact CE2-CB 3.93Å; F121-W182 HydrophobicContact CE2-CG 4.48Å; F121-W182 HydrophobicContact CG-CB 4.44Å; F121-W182 HydrophobicContact CG-CG 4.36Å; L132-W182 HydrophobicContact CD1-CD2 4.14Å; L132-W182 HydrophobicContact CD1-CE3 3.87Å; L132-W182 HydrophobicContact CD1-CZ3 4.32Å; I140-W182 HydrophobicContact CD1-CH2 3.93Å; I140-W182 HydrophobicContact CD1-CZ3 4.04Å; I140-W182 HydrophobicContact CG2-CH2 3.99Å; M166-W182 HydrophobicContact CE-CH2 3.8Å; M166-W182 HydrophobicContact CE-CZ3 3.67Å; M166-W182 HydrophobicContact SD-CH2 4.31Å; M166-W182 HydrophobicContact SD-CZ3 3.59Å; M166-W182 VanDerWaalsContact SD-CZ3 3.59Å; I169-W182 HydrophobicContact CD1-CE3 4.44Å; I169-W182 HydrophobicContact CD1-CZ3 4.43Å; I169-W182 HydrophobicContact CG2-CE3 4.46Å; V177-W182 HydrophobicContact CG1-CB 3.83Å; V177-W182 HydrophobicContact CG1-CE3 4.32Å; S178-W182 WeakPolarHBondContact O-CB 3.5Å; S178-W182 PolarHBondContact O-N 3.39Å; L179-W182 PolarHBondContact O-N 3.06Å; W182-G186 VanDerWaalsContact O-CA 3.31Å; W182-G186 WeakPolarHBondContact O-CA 3.42Å; W182-G186 PolarHBondContact O-N 2.9Å
183V74.8Confident76.9Confident12 Ų1241.3 Ų41.37%0.07325%0.249CC..Hα-helixtrans-69.4-48.4-179.6171.80000110.3R114 L117 E118 L179 D180 E181 M187R114-V183 HydrophobicContact CG-CG1 3.84Å; L117-V183 HydrophobicContact CB-CG2 4.28Å; E118-V183 HydrophobicContact CB-CG2 4.42Å; E118-V183 HydrophobicContact CG-CG2 3.5Å; L179-V183 HydrophobicContact CD1-CG2 3.91Å; L179-V183 HydrophobicContact CG-CG2 4.48Å; L179-V183 WeakPolarHBondContact O-CB 3.46Å; L179-V183 VanDerWaalsContact O-CG2 3.23Å; L179-V183 WeakPolarHBondContact O-CG2 3.26Å; L179-V183 PolarHBondContact O-N 3.27Å; D180-V183 PolarHBondContact O-N 3.13Å; E181-V183 PolarHBondContact O-N 3.14Å; V183-M187 HydrophobicContact CG1-CG 4.4Å; V183-M187 HydrophobicContact CG1-SD 4.12Å; V183-M187 WeakPolarHBondContact O-CB 3.49Å; V183-M187 WeakPolarHBondContact O-CG 3.44Å; V183-M187 PolarHBondContact O-N 3.12Å
184E79.1Confident76.1Confident135 Ų13538 Ų3863%0.63123%0.225SC*.Hα-helixtrans-66.7-49.7-179-175170.1-172.900111.4D180 G186 M187 N188D180-E184 WeakPolarHBondContact O-CB 3.48Å; D180-E184 PolarHBondContact O-N 3.49Å; E184-G186 PolarHBondContact O-N 3.32Å; E184-M187 PolarHBondContact O-N 2.87Å; E184-N188 WeakPolarHBondContact O-CB 3.35Å; E184-N188 PolarHBondContact O-N 2.87Å; E184-N188 PolarHBondContact O-ND2 3.45Å
185G75.8Confident75Confident21 Ų2136.2 Ų36.222%0.21621%0.21CC..Hα-helixtrans-61.9-43176.500000111.9E181 N188 N189E181-G185 WeakPolarHBondContact O-CA 3.45Å; E181-G185 PolarHBondContact O-N 3.42Å; G185-N188 CarbonylContact O-C 3.54Å; G185-N188 PolarHBondContact O-N 3.14Å; G185-N189 WeakPolarHBondContact O-CB 3.21Å; G185-N189 PolarHBondContact O-N 3.02Å
186G72.5Confident74Confident0 Ų035.2 Ų35.20%019%0.193CC..Hα-helixtrans-69.6-38.7178.400000113.9W182 E184 N188 N189 L193W182-G186 VanDerWaalsContact O-CA 3.31Å; W182-G186 WeakPolarHBondContact O-CA 3.42Å; W182-G186 PolarHBondContact O-N 2.9Å; E184-G186 PolarHBondContact O-N 3.32Å; G186-N188 PolarHBondContact O-N 3.37Å; G186-N189 PolarHBondContact O-N 3.38Å; G186-N189 VanDerWaalsContact O-N 3.16Å; G186-L193 WeakPolarHBondContact O-CG 3.47Å
187M72.8Confident72.7Confident63 Ų6335.6 Ų35.631%0.3121%0.206SC..Hα-helixtrans-64.9-22.6173.7-79.1-168.763.600112.9R114 L117 V183 E184 L193R114-M187 HydrophobicContact CB-SD 3.9Å; R114-M187 HydrophobicContact CG-SD 4.17Å; L117-M187 HydrophobicContact CD1-CB 4.38Å; L117-M187 HydrophobicContact CD1-CG 3.63Å; V183-M187 HydrophobicContact CG1-CG 4.4Å; V183-M187 HydrophobicContact CG1-SD 4.12Å; V183-M187 WeakPolarHBondContact O-CB 3.49Å; V183-M187 WeakPolarHBondContact O-CG 3.44Å; V183-M187 PolarHBondContact O-N 3.12Å; E184-M187 PolarHBondContact O-N 2.87Å; M187-L193 WeakPolarHBondContact O-CD1 3.36Å
188N72.8Confident71.4Confident111 Ų11135.9 Ų35.959%0.59421%0.207SC*.Hα-helixtrans-99.5-3.6177-68.1-52.6000113.3E184 G185 G186E184-N188 WeakPolarHBondContact O-CB 3.35Å; E184-N188 PolarHBondContact O-N 2.87Å; E184-N188 PolarHBondContact O-ND2 3.45Å; G185-N188 CarbonylContact O-C 3.54Å; G185-N188 PolarHBondContact O-N 3.14Å; G186-N188 PolarHBondContact O-N 3.37Å
189N72.7Confident69.8Low10 Ų1039.7 Ų39.75%0.05322%0.22CC..  trans-97.2101.6-179.6-166.2-61000111.9M165 G185 G186 P191 L192 L193 N250M165-N189 WeakPolarHBondContact CG-ND2 3.33Å; M165-N189 HydrophobicContact SD-CB 4.3Å; M165-N189 PolarHBondContact SD-ND2 2.97Å; M165-N189 VanDerWaalsContact SD-ND2 3.4Å; M165-N189 PolarHBondContact SD-OD1 3.11Å; G185-N189 WeakPolarHBondContact O-CB 3.21Å; G185-N189 PolarHBondContact O-N 3.02Å; G186-N189 PolarHBondContact O-N 3.38Å; G186-N189 VanDerWaalsContact O-N 3.16Å; N189-P191 VanDerWaalsContact OD1-CD 3.23Å; N189-P191 WeakPolarHBondContact OD1-CD 3.39Å; N189-L192 HydrophobicContact CB-CB 3.93Å; N189-L192 PolarHBondContact O-N 2.98Å; N189-L192 PolarHBondContact OD1-N 3.28Å; N189-L192 VanDerWaalsContact OD1-N 3.09Å; N189-L193 WeakPolarHBondContact O-CG 3.41Å; N189-L193 PolarHBondContact O-N 2.8Å; N189-L193 VanDerWaalsContact O-N 3.11Å; N189-N250 PolarHBondContact ND2-ND2 3.25Å; N189-N250 VanDerWaalsContact ND2-ND2 3.19Å; N189-N250 PolarHBondContact OD1-ND2 3.46Å
190V70.3Confident68.9Low13 Ų1339.8 Ų39.88%0.07922%0.219CC..Hα-helixtrans-60-50.3-176.51660000113.2L192 L193 V194 M200 W209 L235 A249 N250V190-L192 VanDerWaalsContact C-N 3.3Å; V190-L192 PolarHBondContact O-N 3.03Å; V190-L193 PolarHBondContact O-N 3.39Å; V190-V194 HydrophobicContact CG1-CG2 4.29Å; V190-V194 WeakPolarHBondContact O-CG2 3.25Å; V190-V194 PolarHBondContact O-N 3.23Å; V190-M200 HydrophobicContact CG2-CE 4.42Å; V190-M200 HydrophobicContact CG2-SD 4.04Å; V190-W209 HydrophobicContact CG1-CB 3.93Å; V190-W209 HydrophobicContact CG1-CD2 4.26Å; V190-W209 HydrophobicContact CG1-CG 3.51Å; V190-L235 HydrophobicContact CG1-CD1 4.04Å; V190-A249 HydrophobicContact CB-CB 4.06Å; V190-A249 HydrophobicContact CG1-CB 3.77Å; V190-N250 WeakPolarHBondContact CB-OD1 3.47Å; V190-N250 PolarHBondContact N-OD1 3.36Å
191P65.6Low67.8Low6 Ų638.4 Ų38.44%0.03922%0.215CC..Hα-helixtrans-52.9-44.8176.2-30.536.8000113.5V161 N189 V194 L195 L235 G246 A249 N250V161-P191 HydrophobicContact CG1-CB 4.28Å; V161-P191 HydrophobicContact CG1-CG 4.41Å; N189-P191 VanDerWaalsContact OD1-CD 3.23Å; N189-P191 WeakPolarHBondContact OD1-CD 3.39Å; P191-V194 PolarHBondContact O-N 3.2Å; P191-L195 VanDerWaalsContact O-CB 3.29Å; P191-L195 WeakPolarHBondContact O-CB 3.34Å; P191-L195 WeakPolarHBondContact O-CD1 3.42Å; P191-L195 WeakPolarHBondContact O-CG 3.4Å; P191-L195 PolarHBondContact O-N 2.91Å; P191-L235 HydrophobicContact CG-CD1 4.43Å; P191-G246 WeakPolarHBondContact CG-O 3.31Å; P191-A249 HydrophobicContact CG-CB 4.35Å; P191-N250 WeakPolarHBondContact CD-ND2 3.34Å; P191-N250 WeakPolarHBondContact CD-OD1 3.27Å
192L67.1Low66.8Low0 Ų041.2 Ų41.20%023%0.228CC..Hα-helixtrans-60.5-48.2178.5-175.252000112.1L117 M144 M165 I169 N189 V190 V194 L195 L196L117-L192 HydrophobicContact CD2-CD2 4.14Å; M144-L192 HydrophobicContact CE-CD1 3.13Å; M144-L192 HydrophobicContact SD-CD1 3.87Å; M165-L192 HydrophobicContact CE-CB 4.37Å; M165-L192 HydrophobicContact CE-CD1 3.85Å; M165-L192 HydrophobicContact CE-CD2 3.95Å; M165-L192 HydrophobicContact CE-CG 4.27Å; M165-L192 HydrophobicContact SD-CB 3.62Å; M165-L192 HydrophobicContact SD-CD1 4.23Å; M165-L192 HydrophobicContact SD-CD2 3.9Å; M165-L192 HydrophobicContact SD-CG 4.12Å; I169-L192 HydrophobicContact CD1-CD2 4.45Å; N189-L192 HydrophobicContact CB-CB 3.93Å; N189-L192 PolarHBondContact O-N 2.98Å; N189-L192 PolarHBondContact OD1-N 3.28Å; N189-L192 VanDerWaalsContact OD1-N 3.09Å; V190-L192 VanDerWaalsContact C-N 3.3Å; V190-L192 PolarHBondContact O-N 3.03Å; L192-V194 VanDerWaalsContact C-N 3.33Å; L192-V194 PolarHBondContact O-N 3.25Å; L192-L195 WeakPolarHBondContact O-CB 3.47Å; L192-L195 PolarHBondContact O-N 3.3Å; L192-L196 HydrophobicContact CD1-CD1 3.61Å; L192-L196 HydrophobicContact CD1-CG 3.94Å; L192-L196 HydrophobicContact CG-CD1 3.81Å; L192-L196 HydrophobicContact CG-CG 4.45Å; L192-L196 WeakPolarHBondContact O-CB 3.14Å; L192-L196 VanDerWaalsContact O-CG 3.24Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.02Å
193L67.3Low66.6Low3 Ų346.9 Ų46.92%0.01625%0.253CS..Hα-helixtrans-64.9-40.4-179-64.6173.9000111.4P113 L117 G186 M187 N189 V190 L196 G197 L198 M200P113-L193 HydrophobicContact CB-CD2 4.07Å; L117-L193 HydrophobicContact CD1-CD2 4.22Å; G186-L193 WeakPolarHBondContact O-CG 3.47Å; M187-L193 WeakPolarHBondContact O-CD1 3.36Å; N189-L193 WeakPolarHBondContact O-CG 3.41Å; N189-L193 PolarHBondContact O-N 2.8Å; N189-L193 VanDerWaalsContact O-N 3.11Å; V190-L193 PolarHBondContact O-N 3.39Å; L193-L196 PolarHBondContact O-N 2.9Å; L193-G197 PolarHBondContact O-N 2.85Å; L193-L198 HydrophobicContact CB-CB 4.13Å; L193-L198 HydrophobicContact CD2-CB 3.78Å; L193-L198 HydrophobicContact CD2-CD1 3.64Å; L193-L198 HydrophobicContact CD2-CG 4.35Å; L193-L198 WeakPolarHBondContact O-CA 3.45Å; L193-L198 WeakPolarHBondContact O-CB 3.21Å; L193-L198 PolarHBondContact O-N 2.91Å; L193-M200 HydrophobicContact CB-CG 4.47Å; L193-M200 HydrophobicContact CD1-CE 3.71Å; L193-M200 HydrophobicContact CD1-CG 3.66Å; L193-M200 HydrophobicContact CD1-SD 4.05Å
194V64.1Low67.1Low31 Ų3148 Ų4819%0.18826%0.259CS..Hα-helixtrans-67-38.8176.2177.30000111.6V190 P191 L192 G197 W209 M211 L235V190-V194 HydrophobicContact CG1-CG2 4.29Å; V190-V194 WeakPolarHBondContact O-CG2 3.25Å; V190-V194 PolarHBondContact O-N 3.23Å; P191-V194 PolarHBondContact O-N 3.2Å; L192-V194 VanDerWaalsContact C-N 3.33Å; L192-V194 PolarHBondContact O-N 3.25Å; V194-G197 PolarHBondContact O-N 3.08Å; V194-W209 HydrophobicContact CG2-CB 3.75Å; V194-M211 HydrophobicContact CG1-CG 3.71Å; V194-M211 HydrophobicContact CG1-SD 4.36Å; V194-L235 HydrophobicContact CB-CD2 4.07Å; V194-L235 HydrophobicContact CG1-CD2 3.68Å; V194-L235 HydrophobicContact CG2-CD2 4.03Å
195L61.2Low67.4Low26 Ų2642.4 Ų42.414%0.13624%0.237CC..Hα-helixtrans-57.8-47.8172.7-91.6160.3000112.3M144 A148 W153 L158 L162 P191 L192 G197M144-L195 HydrophobicContact CE-CB 3.99Å; M144-L195 HydrophobicContact CE-CD1 3.95Å; M144-L195 HydrophobicContact CE-CG 4.46Å; A148-L195 HydrophobicContact CB-CD2 4.35Å; W153-L195 HydrophobicContact CD2-CD2 4.41Å; W153-L195 HydrophobicContact CE3-CD2 3.67Å; W153-L195 HydrophobicContact CE3-CG 4.38Å; W153-L195 HydrophobicContact CH2-CB 4.12Å; W153-L195 HydrophobicContact CH2-CD2 3.15Å; W153-L195 HydrophobicContact CH2-CG 3.41Å; W153-L195 VanDerWaalsContact CH2-CG 3.41Å; W153-L195 HydrophobicContact CZ2-CD2 3.9Å; W153-L195 HydrophobicContact CZ2-CG 4.5Å; W153-L195 HydrophobicContact CZ3-CB 4.47Å; W153-L195 HydrophobicContact CZ3-CD1 4.24Å; W153-L195 HydrophobicContact CZ3-CD2 3.01Å; W153-L195 HydrophobicContact CZ3-CG 3.32Å; L158-L195 HydrophobicContact CD1-CD1 4.25Å; L158-L195 HydrophobicContact CD2-CD2 4.33Å; L162-L195 HydrophobicContact CD2-CD1 3.8Å; P191-L195 VanDerWaalsContact O-CB 3.29Å; P191-L195 WeakPolarHBondContact O-CB 3.34Å; P191-L195 WeakPolarHBondContact O-CD1 3.42Å; P191-L195 WeakPolarHBondContact O-CG 3.4Å; P191-L195 PolarHBondContact O-N 2.91Å; L192-L195 WeakPolarHBondContact O-CB 3.47Å; L192-L195 PolarHBondContact O-N 3.3Å; L195-G197 PolarHBondContact O-N 2.84Å
196L56.2Low67.9Low29 Ų2944.3 Ų44.315%0.15224%0.24CC..THydrogen-bonded Turntrans-79.34.3-178.2-62.6176000113.1L107 L117 M144 L192 L193 L198L107-L196 HydrophobicContact CD2-CD2 4.18Å; L117-L196 HydrophobicContact CD2-CD1 4.11Å; M144-L196 HydrophobicContact CE-CD2 3.98Å; M144-L196 HydrophobicContact CE-CG 4.23Å; L192-L196 HydrophobicContact CD1-CD1 3.61Å; L192-L196 HydrophobicContact CD1-CG 3.94Å; L192-L196 HydrophobicContact CG-CD1 3.81Å; L192-L196 HydrophobicContact CG-CG 4.45Å; L192-L196 WeakPolarHBondContact O-CB 3.14Å; L192-L196 VanDerWaalsContact O-CG 3.24Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.02Å; L193-L196 PolarHBondContact O-N 2.9Å; L196-L198 HydrophobicContact CB-CB 4.47Å; L196-L198 HydrophobicContact CB-CD1 3.74Å; L196-L198 HydrophobicContact CB-CG 3.74Å; L196-L198 HydrophobicContact CD1-CD1 3.84Å; L196-L198 HydrophobicContact CG-CD1 4.47Å; L196-L198 PolarHBondContact O-N 2.83Å
197G55.4Low68.6Low54 Ų5444.8 Ų44.856%0.55724%0.243SC*.THydrogen-bonded Turntrans62.620.2-175.800000113.3L193 V194 L195L193-G197 PolarHBondContact O-N 2.85Å; V194-G197 PolarHBondContact O-N 3.08Å; L195-G197 PolarHBondContact O-N 2.84Å
198L57Low69.2Low10 Ų1043.7 Ų43.75%0.05224%0.238CC..  trans-81.5126.9-176.1-72.1177.4000111.5P113 K116 L117 L193 L196P113-L198 HydrophobicContact CB-CB 4.16Å; P113-L198 HydrophobicContact CB-CD1 4.14Å; P113-L198 HydrophobicContact CB-CD2 4.28Å; P113-L198 HydrophobicContact CB-CG 4.42Å; P113-L198 HydrophobicContact CG-CB 4.2Å; P113-L198 HydrophobicContact CG-CD2 4.43Å; K116-L198 HydrophobicContact CB-CD1 4.11Å; K116-L198 HydrophobicContact CB-CD2 3.85Å; K116-L198 HydrophobicContact CD-CD2 3.32Å; K116-L198 HydrophobicContact CD-CG 4.28Å; K116-L198 VanDerWaalsContact CE-CD2 3.45Å; K116-L198 HydrophobicContact CG-CD2 3.65Å; L117-L198 HydrophobicContact CG-CD1 4.33Å; L193-L198 HydrophobicContact CB-CB 4.13Å; L193-L198 HydrophobicContact CD2-CB 3.78Å; L193-L198 HydrophobicContact CD2-CD1 3.64Å; L193-L198 HydrophobicContact CD2-CG 4.35Å; L193-L198 WeakPolarHBondContact O-CA 3.45Å; L193-L198 WeakPolarHBondContact O-CB 3.21Å; L193-L198 PolarHBondContact O-N 2.91Å; L196-L198 HydrophobicContact CB-CB 4.47Å; L196-L198 HydrophobicContact CB-CD1 3.74Å; L196-L198 HydrophobicContact CB-CG 3.74Å; L196-L198 HydrophobicContact CD1-CD1 3.84Å; L196-L198 HydrophobicContact CG-CD1 4.47Å; L196-L198 PolarHBondContact O-N 2.83Å
199K54.5Low69.8Low114 Ų11439.5 Ų39.550%0.49621%0.213SC..  trans-83.4114.8176.3-68.8175.1-179.2163.50109.4P113P113-K199 WeakPolarHBondContact CG-O 3.28Å
200M62.1Low70Confident49 Ų4943.9 Ų43.924%0.24123%0.229CC..  trans-60.6147.7174.1-59.3-167.578.500111.6V190 L193 Q202 Q206V190-M200 HydrophobicContact CG2-CE 4.42Å; V190-M200 HydrophobicContact CG2-SD 4.04Å; L193-M200 HydrophobicContact CB-CG 4.47Å; L193-M200 HydrophobicContact CD1-CE 3.71Å; L193-M200 HydrophobicContact CD1-CG 3.66Å; L193-M200 HydrophobicContact CD1-SD 4.05Å; M200-Q202 PolarHBondContact O-N 3.15Å; M200-Q202 VanDerWaalsContact O-N 3.09Å; M200-Q206 VanDerWaalsContact CE-NE2 3.26Å
201T58.1Low70.2Confident89 Ų8945.7 Ų45.755%0.54624%0.238SC..  trans-60.5113.3169.4-27.70000108.8K203 Q206T201-K203 PolarHBondContact O-N 3.27Å; T201-K203 VanDerWaalsContact O-N 3.08Å; T201-Q206 PolarHBondContact O-OE1 2.84Å; T201-Q206 VanDerWaalsContact O-OE1 3.06Å
202Q63.5Low70.5Confident86 Ų8649.3 Ų49.340%0.40225%0.253SS..  trans-73.1103.8-167.4-171.1175.6200111.9M200 L208M200-Q202 PolarHBondContact O-N 3.15Å; M200-Q202 VanDerWaalsContact O-N 3.09Å; Q202-L208 HydrophobicContact CG-CD2 4.15Å
203K76.1Confident70.6Confident123 Ų12352.9 Ų52.954%0.53527%0.272SS..  trans-93.5151.8169.4-54.7-168.6178172.30111T201 Q206 P364T201-K203 PolarHBondContact O-N 3.27Å; T201-K203 VanDerWaalsContact O-N 3.08Å; K203-Q206 HydrophobicContact CB-CB 4.3Å; K203-Q206 VanDerWaalsContact O-CB 3.29Å; K203-Q206 WeakPolarHBondContact O-CB 3.49Å; K203-Q206 PolarHBondContact O-N 3.44Å; K203-P364 HydrophobicContact CB-CG 4.23Å; K203-P364 HydrophobicContact CD-CG 4.48Å; K203-P364 HydrophobicContact CG-CB 4.45Å; K203-P364 HydrophobicContact CG-CG 3.79Å
204D84.1Confident71Confident35 Ų3553.7 Ų53.719%0.18728%0.275CS..THydrogen-bonded Turntrans-65.2141.2174.4-163.551.2000111Q206 R258 T259 Y260D204-Q206 PolarHBondContact O-N 3.07Å; D204-R258 IonicContact OD2-NE 2.68Å; D204-T259 WeakPolarHBondContact OD1-CB 3.42Å; D204-T259 PolarHBondContact OD1-N 2.89Å; D204-T259 PolarHBondContact OD1-OG1 2.81Å; D204-Y260 HydrophobicContact CB-CD1 4.26Å; D204-Y260 HydrophobicContact CB-CE1 3.42Å; D204-Y260 VanDerWaalsContact CB-CE1 3.42Å; D204-Y260 VanDerWaalsContact CG-CE1 3.42Å
205G85.8Confident71.4Confident17 Ų1759.9 Ų59.918%0.17531%0.307CS..THydrogen-bonded Turntrans71.65.3-175.400000114.7C256G205-C256 WeakPolarHBondContact CA-O 3.42Å; G205-C256 WeakPolarHBondContact O-CB 3.45Å; G205-C256 PolarHBondContact O-N 2.73Å
206Q86.9Confident72.2Confident61 Ų6165.5 Ų65.529%0.28533%0.331SS..  trans-89.1140172-167.2174.719.200111.2M200 T201 K203 D204M200-Q206 VanDerWaalsContact CE-NE2 3.26Å; T201-Q206 PolarHBondContact O-OE1 2.84Å; T201-Q206 VanDerWaalsContact O-OE1 3.06Å; K203-Q206 HydrophobicContact CB-CB 4.3Å; K203-Q206 VanDerWaalsContact O-CB 3.29Å; K203-Q206 WeakPolarHBondContact O-CB 3.49Å; K203-Q206 PolarHBondContact O-N 3.44Å; D204-Q206 PolarHBondContact O-N 3.07Å
207H87.8Confident73.4Confident11 Ų1167.9 Ų67.95%0.05135%0.348CS..  trans-72.6136.6176.7-72.9-71.5000111.9W209 C237 C240 Y242 A254H207-W209 HydrophobicContact CB-CD2 3.77Å; H207-W209 HydrophobicContact CB-CE3 4.39Å; H207-W209 HydrophobicContact CB-CG 4.19Å; H207-W209 HydrophobicContact CB-CH2 4.2Å; H207-W209 HydrophobicContact CB-CZ2 3.54Å; H207-W209 AromaticContact CD2-CZ2 3.52Å; H207-W209 AromaticContact CG-CE2 3.85Å; H207-W209 AromaticContact CG-CH2 3.94Å; H207-W209 AromaticContact CG-CZ2 3.54Å; H207-W209 PolarHBondContact O-N 2.91Å; H207-C237 HydrophobicContact CB-CB 4.11Å; H207-C237 WeakPolarHBondContact ND1-CB 3.5Å; H207-C237 PolarHBondContact ND1-SG 2.98Å; H207-C237 VanDerWaalsContact ND1-SG 3.38Å; H207-C240 PolarHBondContact CE1-SG 3.1Å; H207-C240 PolarHBondContact ND1-SG 3.48Å; H207-C240 VanDerWaalsContact ND1-SG 3.37Å; H207-Y242 VanDerWaalsContact CE1-CB 3.41Å; H207-Y242 WeakPolarHBondContact CE1-CB 3.36Å; H207-Y242 AromaticContact CE1-CD1 3.98Å; H207-Y242 AromaticContact CE1-CG 3.57Å; H207-A254 PolarHBondContact NE2-O 2.61Å
208L84.7Confident74.9Confident39 Ų3966 Ų6620%0.20433%0.326CS..  trans-93.678.6171.6-65.1178.9000109.8Q202 C237 T238Q202-L208 HydrophobicContact CG-CD2 4.15Å; L208-C237 PolarHBondContact N-SG 3.34Å; L208-C237 VanDerWaalsContact N-SG 3.37Å; L208-C237 CarbonylContact O-C 3.54Å; L208-C237 WeakPolarHBondContact O-CA 3.5Å; L208-T238 PolarHBondContact O-N 2.75Å; L208-T238 PolarHBondContact O-OG1 2.76Å
209W84.6Confident76.4Confident23 Ų2366.6 Ų66.69%0.08733%0.327CS..EExtended strand (participates in β ladder)trans-68.2134.7-173-62110.6000113.1V190 V194 H207 L235 C237 Y242 V244 P253V190-W209 HydrophobicContact CG1-CB 3.93Å; V190-W209 HydrophobicContact CG1-CD2 4.26Å; V190-W209 HydrophobicContact CG1-CG 3.51Å; V194-W209 HydrophobicContact CG2-CB 3.75Å; H207-W209 HydrophobicContact CB-CD2 3.77Å; H207-W209 HydrophobicContact CB-CE3 4.39Å; H207-W209 HydrophobicContact CB-CG 4.19Å; H207-W209 HydrophobicContact CB-CH2 4.2Å; H207-W209 HydrophobicContact CB-CZ2 3.54Å; H207-W209 AromaticContact CD2-CZ2 3.52Å; H207-W209 AromaticContact CG-CE2 3.85Å; H207-W209 AromaticContact CG-CH2 3.94Å; H207-W209 AromaticContact CG-CZ2 3.54Å; H207-W209 PolarHBondContact O-N 2.91Å; W209-L235 HydrophobicContact CB-CD2 4.43Å; W209-L235 HydrophobicContact CD2-CB 4.45Å; W209-L235 HydrophobicContact CE3-CB 3.83Å; W209-L235 HydrophobicContact CZ3-CB 4.37Å; W209-C237 HydrophobicContact CE3-CB 4.34Å; W209-C237 HydrophobicContact CZ3-CB 4.35Å; W209-Y242 AromaticContact CH2-CD1 3.72Å; W209-Y242 HydrophobicContact CH2-CD1 3.72Å; W209-Y242 HydrophobicContact CH2-CE1 4.34Å; W209-Y242 HydrophobicContact CZ3-CD1 4.33Å; W209-Y242 WeakPolarHBondContact CZ3-O 3.44Å; W209-V244 HydrophobicContact CE3-CG2 4.19Å; W209-V244 HydrophobicContact CH2-CB 4.36Å; W209-V244 HydrophobicContact CH2-CG1 3.84Å; W209-V244 HydrophobicContact CH2-CG2 3.54Å; W209-V244 HydrophobicContact CZ2-CG2 4.28Å; W209-V244 HydrophobicContact CZ3-CB 4.47Å; W209-V244 HydrophobicContact CZ3-CG1 4.27Å; W209-V244 HydrophobicContact CZ3-CG2 3.5Å; W209-P253 HydrophobicContact CZ2-CB 4.29Å; W209-P253 HydrophobicContact CZ2-CG 4.23Å
210R76.8Confident78.1Confident102 Ų10261.1 Ų61.139%0.38530%0.303SS..EExtended strand (participates in β ladder)trans-135.8146.8165.2-64.3-140.6-61.8-164.93.2110.9L235 C236 E394 S398R210-L235 CarbonylContact O-C 3.59Å; R210-L235 WeakPolarHBondContact O-CA 3.38Å; R210-C236 PolarHBondContact N-O 3.17Å; R210-C236 PolarHBondContact O-N 2.79Å; R210-E394 IonicContact NH1-OE2 3.41Å; R210-S398 PolarHBondContact NH1-OG 3.3Å; R210-S398 PolarHBondContact NH2-OG 2.97Å
211M74.9Confident79.6Confident52 Ų5259.6 Ų59.626%0.25630%0.296SS..EExtended strand (participates in β ladder)trans-61.5139168.1-67.5-58.7-71.800110.2W153 V194 K232 L235W153-M211 HydrophobicContact CD2-CE 4.27Å; W153-M211 HydrophobicContact CE3-CE 3.9Å; W153-M211 HydrophobicContact CH2-CE 4.36Å; W153-M211 HydrophobicContact CH2-CG 3.71Å; W153-M211 HydrophobicContact CH2-SD 4.17Å; W153-M211 HydrophobicContact CZ2-CG 3.96Å; W153-M211 HydrophobicContact CZ3-CE 3.91Å; W153-M211 HydrophobicContact CZ3-CG 4.19Å; W153-M211 HydrophobicContact CZ3-SD 4.08Å; V194-M211 HydrophobicContact CG1-CG 3.71Å; V194-M211 HydrophobicContact CG1-SD 4.36Å; M211-K232 HydrophobicContact CE-CB 4.02Å; M211-K232 WeakPolarHBondContact CE-O 3.22Å; M211-L235 HydrophobicContact CG-CD2 4.1Å; M211-L235 HydrophobicContact SD-CD2 3.28Å; M211-L235 WeakPolarHBondContact SD-CD2 3.05Å; M211-L235 HydrophobicContact SD-CG 3.95Å
212K71.8Confident81.2Confident81 Ų8157.4 Ų57.435%0.35228%0.283SS..EExtended strand (participates in β ladder)trans-140.9139.9-177.9-174.6167.4174.5-172.60112.3F214 K232 Q233 G234 C236K212-F214 HydrophobicContact CB-CE1 4.32Å; K212-F214 HydrophobicContact CB-CE2 3.92Å; K212-F214 HydrophobicContact CB-CZ 3.77Å; K212-F214 HydrophobicContact CD-CD1 4.16Å; K212-F214 HydrophobicContact CD-CE1 3.49Å; K212-F214 VanDerWaalsContact CD-CE1 3.49Å; K212-F214 HydrophobicContact CD-CZ 3.72Å; K212-F214 HydrophobicContact CG-CD1 4.21Å; K212-F214 HydrophobicContact CG-CE1 3.84Å; K212-F214 HydrophobicContact CG-CE2 4.17Å; K212-F214 HydrophobicContact CG-CZ 3.81Å; K212-F214 WeakPolarHBondContact O-CD2 3.5Å; K212-F214 WeakPolarHBondContact O-CE2 3.35Å; K212-K232 CarbonylContact O-C 3.52Å; K212-K232 WeakPolarHBondContact O-CA 3.41Å; K212-Q233 PolarHBondContact O-N 3.39Å; K212-G234 PolarHBondContact N-O 2.81Å; K212-C236 HydrophobicContact CB-CB 3.9Å; K212-C236 HydrophobicContact CD-CB 3.67Å; K212-C236 HydrophobicContact CG-CB 4.44Å
213N70.8Confident82.4Confident75 Ų7555.9 Ų55.940%0.40128%0.281SS..  trans-89.9126.2168.6-62.310000108.4K232N213-K232 WeakPolarHBondContact OD1-CA 3.38Å; N213-K232 WeakPolarHBondContact OD1-CB 3.42Å; N213-K232 WeakPolarHBondContact OD1-CG 3.18Å; N213-K232 PolarHBondContact OD1-N 2.85Å
214F75.4Confident83.1Confident20 Ų2056.3 Ų56.39%0.08829%0.285CS..  trans-107.9119.6176-57.8-81.2000108.9K212 K216 V218 L227 Q233 C236 T243K212-F214 HydrophobicContact CB-CE1 4.32Å; K212-F214 HydrophobicContact CB-CE2 3.92Å; K212-F214 HydrophobicContact CB-CZ 3.77Å; K212-F214 HydrophobicContact CD-CD1 4.16Å; K212-F214 HydrophobicContact CD-CE1 3.49Å; K212-F214 VanDerWaalsContact CD-CE1 3.49Å; K212-F214 HydrophobicContact CD-CZ 3.72Å; K212-F214 HydrophobicContact CG-CD1 4.21Å; K212-F214 HydrophobicContact CG-CE1 3.84Å; K212-F214 HydrophobicContact CG-CE2 4.17Å; K212-F214 HydrophobicContact CG-CZ 3.81Å; K212-F214 WeakPolarHBondContact O-CD2 3.5Å; K212-F214 WeakPolarHBondContact O-CE2 3.35Å; F214-K216 PolarHBondContact O-N 3.33Å; F214-V218 HydrophobicContact CB-CB 4.26Å; F214-V218 HydrophobicContact CB-CG2 3.86Å; F214-V218 HydrophobicContact CD1-CB 4.13Å; F214-V218 HydrophobicContact CD1-CG1 4.05Å; F214-V218 HydrophobicContact CD1-CG2 3.61Å; F214-V218 HydrophobicContact CE1-CG1 4.02Å; F214-V218 HydrophobicContact CE1-CG2 4.31Å; F214-V218 HydrophobicContact CG-CB 4.09Å; F214-V218 HydrophobicContact CG-CG1 4.3Å; F214-V218 HydrophobicContact CG-CG2 3.86Å; F214-V218 HydrophobicContact CZ-CG1 4.3Å; F214-L227 HydrophobicContact CD2-CD2 4.2Å; F214-L227 HydrophobicContact CE2-CD2 3.81Å; F214-Q233 HydrophobicContact CD2-CB 4.4Å; F214-Q233 PolarHBondContact O-NE2 2.91Å; F214-C236 HydrophobicContact CZ-CB 4.01Å; F214-T243 HydrophobicContact CE1-CG2 4.02Å; F214-T243 HydrophobicContact CE2-CG2 3.92Å; F214-T243 HydrophobicContact CZ-CG2 3.35Å
215N72.6Confident83.3Confident161 Ų16157.9 Ų57.986%0.86130%0.299SS*.SBendtrans-878.2179.5-59-9000112.3
216K77.7Confident83.2Confident145 Ų14560.3 Ų60.363%0.6331%0.306SS*.SBendtrans-143.1157.4-178.4-65.5-174.8-179-179.10108.1F214 V218F214-K216 PolarHBondContact O-N 3.33Å; K216-V218 WeakPolarHBondContact O-CG2 3.47Å; K216-V218 PolarHBondContact O-N 3.19Å
217P80.5Confident82.9Confident78 Ų7858 Ų5851%0.50630%0.296SS..  trans-54.1129.4170.4-24.434.6000110.5M226P217-M226 HydrophobicContact CB-CE 3.95Å; P217-M226 HydrophobicContact CB-SD 4.2Å
218V86.8Confident82Confident16 Ų1663.3 Ų63.310%0.09732%0.324CS..  trans-136143.4-179.71690000107.7F214 K216 L227 T243F214-V218 HydrophobicContact CB-CB 4.26Å; F214-V218 HydrophobicContact CB-CG2 3.86Å; F214-V218 HydrophobicContact CD1-CB 4.13Å; F214-V218 HydrophobicContact CD1-CG1 4.05Å; F214-V218 HydrophobicContact CD1-CG2 3.61Å; F214-V218 HydrophobicContact CE1-CG1 4.02Å; F214-V218 HydrophobicContact CE1-CG2 4.31Å; F214-V218 HydrophobicContact CG-CB 4.09Å; F214-V218 HydrophobicContact CG-CG1 4.3Å; F214-V218 HydrophobicContact CG-CG2 3.86Å; F214-V218 HydrophobicContact CZ-CG1 4.3Å; K216-V218 WeakPolarHBondContact O-CG2 3.47Å; K216-V218 PolarHBondContact O-N 3.19Å; V218-L227 HydrophobicContact CG1-CD1 4.46Å; V218-L227 PolarHBondContact O-N 2.85Å; V218-T243 HydrophobicContact CG1-CG2 3.61Å
219Y89.4Confident80.7Confident21 Ų2163 Ų638%0.08233%0.33CS..BIsolated β-bridgetrans-111.9146.3-175.6-62.6-96.6000110.9Q224 M226 L227 N278 S293Y219-Q224 WeakPolarHBondContact CD1-O 3.44Å; Y219-M226 HydrophobicContact CD1-CB 4.14Å; Y219-M226 HydrophobicContact CE1-CB 4.03Å; Y219-M226 HydrophobicContact CE1-CE 3.95Å; Y219-M226 HydrophobicContact CE2-CE 4.42Å; Y219-M226 VanDerWaalsContact OH-CE 3.3Å; Y219-M226 WeakPolarHBondContact OH-CE 3.5Å; Y219-L227 VanDerWaalsContact C-CD1 3.41Å; Y219-N278 PolarHBondContact N-OD1 2.81Å; Y219-N278 PolarHBondContact O-ND2 3.43Å; Y219-S293 WeakPolarHBondContact CE2-OG 3.3Å
220C90.4Very high78.9Confident0 Ų069.9 Ų69.90%037%0.368CS..  trans-75.3127.2179.8175.70000110.1V222 C223 Q224 S225 L227 T243 H245C220-V222 PolarHBondContact O-N 2.84Å; C220-V222 VanDerWaalsContact O-N 3.13Å; C220-V222 PolarHBondContact SG-N 3.42Å; C220-V222 VanDerWaalsContact SG-N 3.42Å; C220-C223 VanDerWaalsContact CB-SG 3.56Å; C220-C223 VanDerWaalsContact SG-SG 3.62Å; C220-Q224 WeakPolarHBondContact O-CA 3.41Å; C220-Q224 PolarHBondContact O-N 3.39Å; C220-S225 WeakPolarHBondContact CB-O 3.35Å; C220-S225 PolarHBondContact N-O 2.97Å; C220-L227 HydrophobicContact CB-CD1 3.7Å; C220-T243 CarbonylContact C-O 3.58Å; C220-H245 VanDerWaalsContact CB-CE1 3.41Å; C220-H245 WeakPolarHBondContact CB-CE1 3.42Å; C220-H245 VanDerWaalsContact CB-ND1 3.28Å; C220-H245 WeakPolarHBondContact CB-ND1 3.38Å; C220-H245 PolarHBondContact SG-ND1 3.39Å; C220-H245 VanDerWaalsContact SG-ND1 3.44Å
221N93.2Very high77.8Confident16 Ų1671.6 Ų71.69%0.08637%0.374CS..THydrogen-bonded Turntrans-66.1-10.6177.9-77.999.2000114.5Y242 T243 V244 S276N221-Y242 HydrophobicContact CB-CD1 3.67Å; N221-Y242 HydrophobicContact CB-CD2 4.03Å; N221-Y242 HydrophobicContact CB-CE1 3.28Å; N221-Y242 HydrophobicContact CB-CE2 3.64Å; N221-Y242 HydrophobicContact CB-CG 4.04Å; N221-Y242 PolarHBondContact O-OH 3.19Å; N221-T243 WeakPolarHBondContact CB-O 3.32Å; N221-T243 PolarHBondContact N-O 3.02Å; N221-T243 PolarHBondContact OD1-N 2.87Å; N221-T243 PolarHBondContact OD1-O 3.19Å; N221-V244 HydrophobicContact CB-CG1 4.41Å; N221-S276 PolarHBondContact ND2-O 3.48Å
222V91.7Very high76.9Confident44 Ų4471.7 Ų71.727%0.26737%0.373SS..THydrogen-bonded Turntrans-100-64.6178.5176.20000111C220 Y242 V244 C248 K251 P253C220-V222 PolarHBondContact O-N 2.84Å; C220-V222 VanDerWaalsContact O-N 3.13Å; C220-V222 PolarHBondContact SG-N 3.42Å; C220-V222 VanDerWaalsContact SG-N 3.42Å; V222-Y242 HydrophobicContact CG2-CE1 4.31Å; V222-V244 HydrophobicContact CG2-CG1 3.74Å; V222-C248 HydrophobicContact CB-CB 3.97Å; V222-C248 HydrophobicContact CG1-CB 4.28Å; V222-C248 HydrophobicContact CG2-CB 4.32Å; V222-K251 HydrophobicContact CG1-CB 4.24Å; V222-P253 HydrophobicContact CG2-CB 4.38Å
223C89.3Confident76.7Confident54 Ų5469.2 Ų69.237%0.36536%0.363SS..THydrogen-bonded Turntrans-87.7-4.7-177.2690000114.1C220 S225 H245C220-C223 VanDerWaalsContact CB-SG 3.56Å; C220-C223 VanDerWaalsContact SG-SG 3.62Å; C223-S225 PolarHBondContact O-N 3.07Å; C223-S225 PolarHBondContact O-OG 2.93Å; C223-H245 PolarHBondContact SG-CE1 3.25Å; C223-H245 PolarHBondContact SG-ND1 3.26Å
224Q90.1Very high77.1Confident131 Ų13165.8 Ų65.861%0.61235%0.345SS*.  trans61.52.3-179.1-47.4-173.61000115.1Y219 C220 L297Y219-Q224 WeakPolarHBondContact CD1-O 3.44Å; C220-Q224 WeakPolarHBondContact O-CA 3.41Å; C220-Q224 PolarHBondContact O-N 3.39Å; Q224-L297 HydrophobicContact CB-CD1 4.35Å; Q224-L297 HydrophobicContact CG-CD1 3.96Å
225S88.1Confident77.5Confident69 Ų6964.9 Ų64.948%0.48334%0.341SS..  trans-81.9155.5175.3-50.90000111.5C220 C223C220-S225 WeakPolarHBondContact CB-O 3.35Å; C220-S225 PolarHBondContact N-O 2.97Å; C223-S225 PolarHBondContact O-N 3.07Å; C223-S225 PolarHBondContact O-OG 2.93Å
226M84.9Confident78.3Confident67 Ų6757.5 Ų57.533%0.3330%0.302SS..BIsolated β-bridgetrans-62.8141.5178-169.1175.6-67.700111.2P217 Y219 L228 H245P217-M226 HydrophobicContact CB-CE 3.95Å; P217-M226 HydrophobicContact CB-SD 4.2Å; Y219-M226 HydrophobicContact CD1-CB 4.14Å; Y219-M226 HydrophobicContact CE1-CB 4.03Å; Y219-M226 HydrophobicContact CE1-CE 3.95Å; Y219-M226 HydrophobicContact CE2-CE 4.42Å; Y219-M226 VanDerWaalsContact OH-CE 3.3Å; Y219-M226 WeakPolarHBondContact OH-CE 3.5Å; M226-L228 HydrophobicContact CG-CD2 4.36Å; M226-L228 PolarHBondContact O-N 3.2Å; M226-L228 HydrophobicContact SD-CD2 4.06Å; M226-H245 PolarHBondContact O-NE2 3.38Å
227L80.2Confident79Confident12 Ų1250.6 Ų50.66%0.06327%0.272CS..  trans-77102.5164.6-78.472.3000107.2F214 V218 Y219 C220 Q233 T243F214-L227 HydrophobicContact CD2-CD2 4.2Å; F214-L227 HydrophobicContact CE2-CD2 3.81Å; V218-L227 HydrophobicContact CG1-CD1 4.46Å; V218-L227 PolarHBondContact O-N 2.85Å; Y219-L227 VanDerWaalsContact C-CD1 3.41Å; C220-L227 HydrophobicContact CB-CD1 3.7Å; L227-Q233 HydrophobicContact CB-CB 4.01Å; L227-T243 HydrophobicContact CD1-CG2 4.45Å; L227-T243 HydrophobicContact CD2-CG2 3.79Å
228L67.8Low79.4Confident123 Ų12347.3 Ų47.364%0.64425%0.251SS*.  trans-86.5146.5174.3-64.8169.9000109.2M226M226-L228 HydrophobicContact CG-CD2 4.36Å; M226-L228 PolarHBondContact O-N 3.2Å; M226-L228 HydrophobicContact SD-CD2 4.06Å
229G58.9Low79.5Confident32 Ų3246.8 Ų46.833%0.3325%0.247SC..  trans141.5151.2178.800000113D154 Q233D154-G229 WeakPolarHBondContact OD2-CA 3.2Å; G229-Q233 WeakPolarHBondContact O-CG 3.44Å; G229-Q233 PolarHBondContact O-NE2 2.82Å
230L46.6Very low79.7Confident169 Ų16945.8 Ų45.889%0.88524%0.243SC*.SBendtrans-80.9-29.5-177.8-69.6169.3000112.7
231R53.5Low79.8Confident138 Ų13848.1 Ų48.152%0.52125%0.254SS..SBendtrans-149.5157.4179.4-63.3-174.1178.5176.14.7110.5D152 Q233D152-R231 IonicContact OD2-CZ 3.68Å; D152-R231 IonicContact OD2-NH1 2.71Å; D152-R231 PolarHBondContact OD2-NH1 2.85Å; R231-Q233 VanDerWaalsContact C-N 3.3Å; R231-Q233 PolarHBondContact O-N 3.16Å; R231-Q233 VanDerWaalsContact O-N 3.13Å
232K55.6Low79.9Confident54 Ų5448.6 Ų48.624%0.23525%0.254CS..  trans41.149.8177.4-70.9-177.1177.4172.40114.5L151 W153 M211 K212 N213 G234L151-K232 PolarHBondContact O-NZ 3.33Å; W153-K232 VanDerWaalsContact CD1-CD 3.44Å; W153-K232 HydrophobicContact CG-CD 4.05Å; M211-K232 HydrophobicContact CE-CB 4.02Å; M211-K232 WeakPolarHBondContact CE-O 3.22Å; K212-K232 CarbonylContact O-C 3.52Å; K212-K232 WeakPolarHBondContact O-CA 3.41Å; N213-K232 WeakPolarHBondContact OD1-CA 3.38Å; N213-K232 WeakPolarHBondContact OD1-CB 3.42Å; N213-K232 WeakPolarHBondContact OD1-CG 3.18Å; N213-K232 PolarHBondContact OD1-N 2.85Å; K232-G234 PolarHBondContact O-N 2.86Å
233Q66.9Low79.9Confident29 Ų2946.7 Ų46.714%0.13624%0.243CC..  trans-70.2-8.3-166.2-54.296.2-26.300115.2K212 F214 L227 G229 R231K212-Q233 PolarHBondContact O-N 3.39Å; F214-Q233 HydrophobicContact CD2-CB 4.4Å; F214-Q233 PolarHBondContact O-NE2 2.91Å; L227-Q233 HydrophobicContact CB-CB 4.01Å; G229-Q233 WeakPolarHBondContact O-CG 3.44Å; G229-Q233 PolarHBondContact O-NE2 2.82Å; R231-Q233 VanDerWaalsContact C-N 3.3Å; R231-Q233 PolarHBondContact O-N 3.16Å; R231-Q233 VanDerWaalsContact O-N 3.13Å
234G79.4Confident79.9Confident2 Ų244.1 Ų44.12%0.02123%0.225CC..EExtended strand (participates in β ladder)trans174.7-170.3176.700000114.6K212 K232 V244K212-G234 PolarHBondContact N-O 2.81Å; K232-G234 PolarHBondContact O-N 2.86Å; G234-V244 WeakPolarHBondContact CA-O 3.43Å
235L84.3Confident79.5Confident1 Ų138.5 Ų38.51%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-97.9139.1-177.2-66.3168.7000110.4V190 P191 V194 W209 R210 M211 T243 V244 A249V190-L235 HydrophobicContact CG1-CD1 4.04Å; P191-L235 HydrophobicContact CG-CD1 4.43Å; V194-L235 HydrophobicContact CB-CD2 4.07Å; V194-L235 HydrophobicContact CG1-CD2 3.68Å; V194-L235 HydrophobicContact CG2-CD2 4.03Å; W209-L235 HydrophobicContact CB-CD2 4.43Å; W209-L235 HydrophobicContact CD2-CB 4.45Å; W209-L235 HydrophobicContact CE3-CB 3.83Å; W209-L235 HydrophobicContact CZ3-CB 4.37Å; R210-L235 CarbonylContact O-C 3.59Å; R210-L235 WeakPolarHBondContact O-CA 3.38Å; M211-L235 HydrophobicContact CG-CD2 4.1Å; M211-L235 HydrophobicContact SD-CD2 3.28Å; M211-L235 WeakPolarHBondContact SD-CD2 3.05Å; M211-L235 HydrophobicContact SD-CG 3.95Å; L235-T243 CarbonylContact O-C 3.53Å; L235-T243 VanDerWaalsContact O-CA 3.3Å; L235-T243 WeakPolarHBondContact O-CA 3.01Å; L235-V244 HydrophobicContact CB-CG2 3.9Å; L235-V244 PolarHBondContact N-O 3.17Å; L235-V244 PolarHBondContact O-N 3.32Å; L235-A249 HydrophobicContact CD1-CB 3.55Å
236C89.6Confident78.8Confident6 Ų636.2 Ų36.24%0.04119%0.186CC..EExtended strand (participates in β ladder)trans-132.2128.1177.4-169.70000109.6R210 K212 F214 T238 Y242 T243R210-C236 PolarHBondContact N-O 3.17Å; R210-C236 PolarHBondContact O-N 2.79Å; K212-C236 HydrophobicContact CB-CB 3.9Å; K212-C236 HydrophobicContact CD-CB 3.67Å; K212-C236 HydrophobicContact CG-CB 4.44Å; F214-C236 HydrophobicContact CZ-CB 4.01Å; C236-T238 PolarHBondContact O-N 3.43Å; C236-Y242 CarbonylContact C-O 3.57Å; C236-Y242 WeakPolarHBondContact CA-O 3.35Å; C236-T243 PolarHBondContact SG-OG1 2.94Å; C236-T243 VanDerWaalsContact SG-OG1 3.38Å
237C91.7Very high78.3Confident0 Ų037.7 Ų37.70%019%0.188CC..EExtended strand (participates in β ladder)trans-67.1129.8173.8-1800000110.5H207 L208 W209 C240 K241 Y242H207-C237 HydrophobicContact CB-CB 4.11Å; H207-C237 WeakPolarHBondContact ND1-CB 3.5Å; H207-C237 PolarHBondContact ND1-SG 2.98Å; H207-C237 VanDerWaalsContact ND1-SG 3.38Å; L208-C237 PolarHBondContact N-SG 3.34Å; L208-C237 VanDerWaalsContact N-SG 3.37Å; L208-C237 CarbonylContact O-C 3.54Å; L208-C237 WeakPolarHBondContact O-CA 3.5Å; W209-C237 HydrophobicContact CE3-CB 4.34Å; W209-C237 HydrophobicContact CZ3-CB 4.35Å; C237-C240 PolarHBondContact SG-SG 3.03Å; C237-K241 VanDerWaalsContact O-CA 3.25Å; C237-K241 WeakPolarHBondContact O-CA 3.31Å; C237-K241 PolarHBondContact O-N 3.43Å; C237-Y242 PolarHBondContact N-O 3.28Å
238T88.6Confident78.5Confident10 Ų1037.3 Ų37.36%0.06119%0.186CC..THydrogen-bonded Turntrans-65.5-41.9179.7-60.70000111.4L208 C236 K241 S398 Q401 Y402L208-T238 PolarHBondContact O-N 2.75Å; L208-T238 PolarHBondContact O-OG1 2.76Å; C236-T238 PolarHBondContact O-N 3.43Å; T238-K241 PolarHBondContact O-NZ 3.16Å; T238-S398 WeakPolarHBondContact CG2-O 3.13Å; T238-Q401 HydrophobicContact CG2-CB 4.08Å; T238-Y402 WeakPolarHBondContact O-CB 3.27Å
239C90.4Very high79.2Confident4 Ų431.6 Ų31.63%0.02716%0.157CC..THydrogen-bonded Turntrans-70.8-55.5-178176.40000112.9Y402 P406C239-Y402 WeakPolarHBondContact O-CD2 3.5Å; C239-P406 HydrophobicContact CB-CG 4.12Å
240C93.3Very high80.1Confident0 Ų033.4 Ų33.40%016%0.159CC..THydrogen-bonded Turntrans-111.2-3.8-168.171.50000114.5H207 C237 Y242 V275 H301 V303H207-C240 PolarHBondContact CE1-SG 3.1Å; H207-C240 PolarHBondContact ND1-SG 3.48Å; H207-C240 VanDerWaalsContact ND1-SG 3.37Å; C237-C240 PolarHBondContact SG-SG 3.03Å; C240-Y242 PolarHBondContact O-N 3.37Å; C240-Y242 WeakPolarHBondContact SG-CB 3.34Å; C240-V275 HydrophobicContact CB-CG2 3.98Å; C240-H301 PolarHBondContact O-CE1 3.35Å; C240-H301 PolarHBondContact O-NE2 2.92Å; C240-V303 HydrophobicContact CB-CG2 3.67Å
241K92.6Very high81.9Confident50 Ų5031.3 Ų31.322%0.21714%0.143CC..  trans62.513.9-176.8-55.3-64.5-179.8-123.20115.9C237 T238 T243 Y402C237-K241 VanDerWaalsContact O-CA 3.25Å; C237-K241 WeakPolarHBondContact O-CA 3.31Å; C237-K241 PolarHBondContact O-N 3.43Å; T238-K241 PolarHBondContact O-NZ 3.16Å; K241-T243 PolarHBondContact O-N 3.31Å; K241-T243 PolarHBondContact O-OG1 3.13Å; K241-Y402 HydrophobicContact CB-CE2 4.43Å; K241-Y402 HydrophobicContact CD-CD2 4.06Å; K241-Y402 HydrophobicContact CD-CE2 4.16Å; K241-Y402 VanDerWaalsContact CE-CG 3.44Å; K241-Y402 HydrophobicContact CG-CD2 3.58Å; K241-Y402 HydrophobicContact CG-CE2 3.27Å; K241-Y402 HydrophobicContact CG-CG 4.45Å
242Y93.9Very high83Confident25 Ų2532 Ų3210%0.09816%0.157CC..  trans-54.8128.1166.2-159.7-83.9000109.5H207 W209 N221 V222 C236 C237 C240 V244 P253 A254 V275H207-Y242 VanDerWaalsContact CE1-CB 3.41Å; H207-Y242 WeakPolarHBondContact CE1-CB 3.36Å; H207-Y242 AromaticContact CE1-CD1 3.98Å; H207-Y242 AromaticContact CE1-CG 3.57Å; W209-Y242 AromaticContact CH2-CD1 3.72Å; W209-Y242 HydrophobicContact CH2-CD1 3.72Å; W209-Y242 HydrophobicContact CH2-CE1 4.34Å; W209-Y242 HydrophobicContact CZ3-CD1 4.33Å; W209-Y242 WeakPolarHBondContact CZ3-O 3.44Å; N221-Y242 HydrophobicContact CB-CD1 3.67Å; N221-Y242 HydrophobicContact CB-CD2 4.03Å; N221-Y242 HydrophobicContact CB-CE1 3.28Å; N221-Y242 HydrophobicContact CB-CE2 3.64Å; N221-Y242 HydrophobicContact CB-CG 4.04Å; N221-Y242 PolarHBondContact O-OH 3.19Å; V222-Y242 HydrophobicContact CG2-CE1 4.31Å; C236-Y242 CarbonylContact C-O 3.57Å; C236-Y242 WeakPolarHBondContact CA-O 3.35Å; C237-Y242 PolarHBondContact N-O 3.28Å; C240-Y242 PolarHBondContact O-N 3.37Å; C240-Y242 WeakPolarHBondContact SG-CB 3.34Å; Y242-V244 HydrophobicContact CD1-CG1 3.8Å; Y242-V244 HydrophobicContact CE1-CG1 3.58Å; Y242-P253 HydrophobicContact CE1-CB 4.07Å; Y242-A254 HydrophobicContact CE2-CB 4.04Å; Y242-V275 HydrophobicContact CD2-CG1 3.96Å
243T92.3Very high84.3Confident4 Ų430.8 Ų30.83%0.02516%0.155CC..EExtended strand (participates in β ladder)trans-126.6131.9-167.5-62.50000110.4F214 V218 C220 N221 L227 L235 C236 K241F214-T243 HydrophobicContact CE1-CG2 4.02Å; F214-T243 HydrophobicContact CE2-CG2 3.92Å; F214-T243 HydrophobicContact CZ-CG2 3.35Å; V218-T243 HydrophobicContact CG1-CG2 3.61Å; C220-T243 CarbonylContact C-O 3.58Å; N221-T243 WeakPolarHBondContact CB-O 3.32Å; N221-T243 PolarHBondContact N-O 3.02Å; N221-T243 PolarHBondContact OD1-N 2.87Å; N221-T243 PolarHBondContact OD1-O 3.19Å; L227-T243 HydrophobicContact CD1-CG2 4.45Å; L227-T243 HydrophobicContact CD2-CG2 3.79Å; L235-T243 CarbonylContact O-C 3.53Å; L235-T243 VanDerWaalsContact O-CA 3.3Å; L235-T243 WeakPolarHBondContact O-CA 3.01Å; C236-T243 PolarHBondContact SG-OG1 2.94Å; C236-T243 VanDerWaalsContact SG-OG1 3.38Å; K241-T243 PolarHBondContact O-N 3.31Å; K241-T243 PolarHBondContact O-OG1 3.13Å
244V90.3Very high85.4Confident0 Ų031.8 Ų31.80%017%0.167CC..EExtended strand (participates in β ladder)trans-142.3157.8-175.1-60.90000111.5W209 N221 V222 G234 L235 Y242 C248 A249W209-V244 HydrophobicContact CE3-CG2 4.19Å; W209-V244 HydrophobicContact CH2-CB 4.36Å; W209-V244 HydrophobicContact CH2-CG1 3.84Å; W209-V244 HydrophobicContact CH2-CG2 3.54Å; W209-V244 HydrophobicContact CZ2-CG2 4.28Å; W209-V244 HydrophobicContact CZ3-CB 4.47Å; W209-V244 HydrophobicContact CZ3-CG1 4.27Å; W209-V244 HydrophobicContact CZ3-CG2 3.5Å; N221-V244 HydrophobicContact CB-CG1 4.41Å; V222-V244 HydrophobicContact CG2-CG1 3.74Å; G234-V244 WeakPolarHBondContact CA-O 3.43Å; L235-V244 HydrophobicContact CB-CG2 3.9Å; L235-V244 PolarHBondContact N-O 3.17Å; L235-V244 PolarHBondContact O-N 3.32Å; Y242-V244 HydrophobicContact CD1-CG1 3.8Å; Y242-V244 HydrophobicContact CE1-CG1 3.58Å; V244-C248 HydrophobicContact CB-CB 4.05Å; V244-A249 HydrophobicContact CG2-CB 3.87Å
245H80.8Confident86Confident14 Ų1436.9 Ų36.97%0.06520%0.2CC..  trans-63.4156.6161.4-57.8105000110.4C220 C223 M226 R247 C248 A249C220-H245 VanDerWaalsContact CB-CE1 3.41Å; C220-H245 WeakPolarHBondContact CB-CE1 3.42Å; C220-H245 VanDerWaalsContact CB-ND1 3.28Å; C220-H245 WeakPolarHBondContact CB-ND1 3.38Å; C220-H245 PolarHBondContact SG-ND1 3.39Å; C220-H245 VanDerWaalsContact SG-ND1 3.44Å; C223-H245 PolarHBondContact SG-CE1 3.25Å; C223-H245 PolarHBondContact SG-ND1 3.26Å; M226-H245 PolarHBondContact O-NE2 3.38Å; H245-R247 VanDerWaalsContact C-N 3.35Å; H245-R247 HydrophobicContact CB-CG 3.92Å; H245-R247 PolarHBondContact O-N 3.08Å; H245-C248 HydrophobicContact CB-CB 4.11Å; H245-C248 WeakPolarHBondContact O-CB 3.45Å; H245-C248 PolarHBondContact O-N 3.32Å; H245-A249 PolarHBondContact O-N 2.83Å
246G74Confident86.4Confident20 Ų2037.1 Ų37.121%0.20620%0.202CC..G310 helixtrans-50.3-53.817200000111.9P191 C248 A249P191-G246 WeakPolarHBondContact CG-O 3.31Å; G246-C248 PolarHBondContact O-N 3.39Å; G246-A249 PolarHBondContact O-N 2.84Å; G246-A249 VanDerWaalsContact O-N 3.16Å
247R74.6Confident86.5Confident98 Ų9837.2 Ų37.237%0.3720%0.203SC..G310 helixtrans-57.2-22.4175.668.3-179162.4-133.2-15115.7E157 V161 H245 K251E157-R247 IonicContact OE1-NH1 3.43Å; E157-R247 IonicContact OE1-NH2 2.77Å; E157-R247 IonicContact OE2-CZ 3.4Å; E157-R247 IonicContact OE2-NH1 3.66Å; E157-R247 PolarHBondContact OE2-NH1 2.52Å; E157-R247 IonicContact OE2-NH2 3.38Å; E157-R247 PolarHBondContact OE2-NH2 3.39Å; V161-R247 HydrophobicContact CG2-CB 3.56Å; H245-R247 VanDerWaalsContact C-N 3.35Å; H245-R247 HydrophobicContact CB-CG 3.92Å; H245-R247 PolarHBondContact O-N 3.08Å; R247-K251 WeakPolarHBondContact O-CD 3.46Å; R247-K251 VanDerWaalsContact O-CE 3.28Å; R247-K251 WeakPolarHBondContact O-CE 3.47Å; R247-K251 WeakPolarHBondContact O-CG 3.28Å
248C83.6Confident86.6Confident4 Ų441.1 Ų41.13%0.02722%0.218CC..G310 helixtrans-92.7-14.4-175.6-750000112.7V222 V244 H245 G246 N250 K251V222-C248 HydrophobicContact CB-CB 3.97Å; V222-C248 HydrophobicContact CG1-CB 4.28Å; V222-C248 HydrophobicContact CG2-CB 4.32Å; V244-C248 HydrophobicContact CB-CB 4.05Å; H245-C248 HydrophobicContact CB-CB 4.11Å; H245-C248 WeakPolarHBondContact O-CB 3.45Å; H245-C248 PolarHBondContact O-N 3.32Å; G246-C248 PolarHBondContact O-N 3.39Å; C248-N250 VanDerWaalsContact C-N 3.27Å; C248-N250 PolarHBondContact O-N 3.47Å; C248-K251 PolarHBondContact O-N 3.34Å; C248-K251 VanDerWaalsContact O-N 3.13Å
249A81.9Confident86.8Confident3 Ų341.1 Ų41.13%0.02522%0.218CC..THydrogen-bonded Turntrans-65.2-30-176.600000113.5V190 P191 L235 V244 H245 G246 P253V190-A249 HydrophobicContact CB-CB 4.06Å; V190-A249 HydrophobicContact CG1-CB 3.77Å; P191-A249 HydrophobicContact CG-CB 4.35Å; L235-A249 HydrophobicContact CD1-CB 3.55Å; V244-A249 HydrophobicContact CG2-CB 3.87Å; H245-A249 PolarHBondContact O-N 2.83Å; G246-A249 PolarHBondContact O-N 2.84Å; G246-A249 VanDerWaalsContact O-N 3.16Å; A249-P253 WeakPolarHBondContact O-CD 3.43Å; A249-P253 WeakPolarHBondContact O-CG 3.04Å
250N79.1Confident86.9Confident70 Ų7042.1 Ų42.137%0.37422%0.221SC..THydrogen-bonded Turntrans-92.3-4.4176.5-61.1-22.9000113.1N189 V190 P191 C248 N252N189-N250 PolarHBondContact ND2-ND2 3.25Å; N189-N250 VanDerWaalsContact ND2-ND2 3.19Å; N189-N250 PolarHBondContact OD1-ND2 3.46Å; V190-N250 WeakPolarHBondContact CB-OD1 3.47Å; V190-N250 PolarHBondContact N-OD1 3.36Å; P191-N250 WeakPolarHBondContact CD-ND2 3.34Å; P191-N250 WeakPolarHBondContact CD-OD1 3.27Å; C248-N250 VanDerWaalsContact C-N 3.27Å; C248-N250 PolarHBondContact O-N 3.47Å; N250-N252 PolarHBondContact O-N 3.04Å
251K84.3Confident87Confident126 Ų12643 Ų4355%0.54823%0.226SC..SBendtrans-87.754.1-176.2-65.5-174.1-178.5-171.80112V222 R247 C248V222-K251 HydrophobicContact CG1-CB 4.24Å; R247-K251 WeakPolarHBondContact O-CD 3.46Å; R247-K251 VanDerWaalsContact O-CE 3.28Å; R247-K251 WeakPolarHBondContact O-CE 3.47Å; R247-K251 WeakPolarHBondContact O-CG 3.28Å; C248-K251 PolarHBondContact O-N 3.34Å; C248-K251 VanDerWaalsContact O-N 3.13Å
252N76.1Confident86.8Confident151 Ų15147.4 Ų47.481%0.80725%0.246SC*.  trans47.863.7178.9-165.317.1000113.8N250N250-N252 PolarHBondContact O-N 3.04Å
253P83.5Confident86.7Confident30 Ų3048.1 Ų48.120%0.19525%0.254CS..PPolyproline II helixtrans-62.4147.4176.329-35.4000110.7W209 V222 Y242 A249W209-P253 HydrophobicContact CZ2-CB 4.29Å; W209-P253 HydrophobicContact CZ2-CG 4.23Å; V222-P253 HydrophobicContact CG2-CB 4.38Å; Y242-P253 HydrophobicContact CE1-CB 4.07Å; A249-P253 WeakPolarHBondContact O-CD 3.43Å; A249-P253 WeakPolarHBondContact O-CG 3.04Å
254A89.3Confident86.6Confident49 Ų4954.1 Ų54.141%0.40528%0.28SS..PPolyproline II helixtrans-54.5144.5170.300000110.1H207 Y242H207-A254 PolarHBondContact NE2-O 2.61Å; Y242-A254 HydrophobicContact CE2-CB 4.04Å
255P91.4Very high86.5Confident109 Ų10963.7 Ų63.771%0.70832%0.322SS*.PPolyproline II helixtrans-60.1149.7-177.924.8-33.9000111.7
256C92.9Very high87Confident7 Ų766.6 Ų66.65%0.04734%0.335CS..PPolyproline II helixtrans-67.8160.8171.8-171.90000110.5G205 R258G205-C256 WeakPolarHBondContact CA-O 3.42Å; G205-C256 WeakPolarHBondContact O-CB 3.45Å; G205-C256 PolarHBondContact O-N 2.73Å; C256-R258 PolarHBondContact O-N 3.22Å
257A92.5Very high87.9Confident8 Ų867.2 Ų67.27%0.06634%0.335CS..PPolyproline II helixtrans-56.1137173.400000111D273 V303 W304A257-D273 HydrophobicContact CB-CB 3.88Å; A257-V303 HydrophobicContact CB-CB 4.06Å; A257-V303 HydrophobicContact CB-CG1 4.06Å; A257-V303 HydrophobicContact CB-CG2 3.82Å; A257-W304 HydrophobicContact CB-CH2 4.39Å; A257-W304 HydrophobicContact CB-CZ2 3.74Å
258R92.6Very high88.7Confident82 Ų8265.3 Ų65.331%0.30935%0.346SS..PPolyproline II helixtrans-75.9139.8-177.4-63.4-175.862.4-169.9-11.3110.4D204 C256 Y260 W304 P333D204-R258 IonicContact OD2-NE 2.68Å; C256-R258 PolarHBondContact O-N 3.22Å; R258-Y260 PolarHBondContact NH2-O 2.92Å; R258-W304 WeakPolarHBondContact O-CZ2 3.47Å; R258-P333 WeakPolarHBondContact O-CB 3.5Å; R258-P333 WeakPolarHBondContact O-CG 3.37Å
259T93.1Very high89.1Confident9 Ų969 Ų696%0.05537%0.369CS..SBendtrans-94.3-10.6-179.563.60000113.2D204 P333 I336 N405 P406 R407D204-T259 WeakPolarHBondContact OD1-CB 3.42Å; D204-T259 PolarHBondContact OD1-N 2.89Å; D204-T259 PolarHBondContact OD1-OG1 2.81Å; T259-P333 WeakPolarHBondContact O-CA 3.48Å; T259-I336 WeakPolarHBondContact O-CD1 3.39Å; T259-N405 WeakPolarHBondContact CB-OD1 3.48Å; T259-N405 PolarHBondContact O-ND2 2.91Å; T259-P406 HydrophobicContact CG2-CG 4.27Å; T259-R407 HydrophobicContact CG2-CG 4.47Å; T259-R407 PolarHBondContact OG1-NE 3.26Å
260Y93.8Very high89.6Confident25 Ų2570.6 Ų70.610%0.09838%0.378CS..SBendtrans-154.8161.3177.164.1-92.7000112.1D204 R258 P333 I336 P338 T363 L369D204-Y260 HydrophobicContact CB-CD1 4.26Å; D204-Y260 HydrophobicContact CB-CE1 3.42Å; D204-Y260 VanDerWaalsContact CB-CE1 3.42Å; D204-Y260 VanDerWaalsContact CG-CE1 3.42Å; R258-Y260 PolarHBondContact NH2-O 2.92Å; Y260-P333 WeakPolarHBondContact CA-O 2.95Å; Y260-I336 WeakPolarHBondContact CB-O 3.11Å; Y260-I336 HydrophobicContact CG-CG2 4.48Å; Y260-P338 HydrophobicContact CE2-CG 4.47Å; Y260-T363 HydrophobicContact CE1-CG2 4.26Å; Y260-T363 HydrophobicContact CE2-CG2 4.4Å; Y260-L369 HydrophobicContact CD1-CD1 3.97Å; Y260-L369 HydrophobicContact CD1-CD2 4.02Å; Y260-L369 HydrophobicContact CD2-CD2 3.84Å; Y260-L369 HydrophobicContact CE1-CD1 4.23Å; Y260-L369 HydrophobicContact CE1-CD2 4.17Å; Y260-L369 HydrophobicContact CE2-CD2 4.06Å; Y260-L369 HydrophobicContact CG-CD1 4.48Å; Y260-L369 HydrophobicContact CG-CD2 3.87Å
261V93.7Very high90.3Very high18 Ų1870.9 Ų70.911%0.10938%0.382CS..  trans-87157.2176.6-69.10000112.6S263 E266 T267 P333 W334 I336 P338V261-S263 VanDerWaalsContact C-N 3.26Å; V261-S263 WeakPolarHBondContact CG2-O 3.47Å; V261-S263 PolarHBondContact O-N 3.16Å; V261-E266 HydrophobicContact CB-CB 3.75Å; V261-E266 HydrophobicContact CG1-CB 4.08Å; V261-E266 HydrophobicContact CG2-CB 4.08Å; V261-T267 HydrophobicContact CG2-CG2 3.82Å; V261-P333 PolarHBondContact N-O 3.23Å; V261-W334 HydrophobicContact CG1-CB 4.19Å; V261-I336 WeakPolarHBondContact CG2-O 3.03Å; V261-I336 PolarHBondContact N-O 2.94Å; V261-P338 WeakPolarHBondContact O-CD 3Å
262K90.3Very high90.7Very high144 Ų14465.7 Ų65.763%0.62636%0.36SS*.SBendtrans-69.9-25.6-172.3-61-173.5177.6177.60113.1E266 P338K262-E266 PolarHBondContact N-OE2 3.28Å; K262-P338 WeakPolarHBondContact O-CG 3.11Å
263S90.3Very high91.6Very high39 Ų3960.8 Ų60.827%0.27333%0.334SS..SBendtrans-150.4160.1-17472.10000111.5V261 K265 E266V261-S263 VanDerWaalsContact C-N 3.26Å; V261-S263 WeakPolarHBondContact CG2-O 3.47Å; V261-S263 PolarHBondContact O-N 3.16Å; S263-K265 PolarHBondContact O-N 3.39Å; S263-K265 VanDerWaalsContact O-N 3.15Å; S263-K265 PolarHBondContact OG-N 3.19Å; S263-E266 PolarHBondContact O-N 3.4Å; S263-E266 VanDerWaalsContact O-N 3.16Å; S263-E266 PolarHBondContact OG-OE1 2.84Å; S263-E266 VanDerWaalsContact OG-OE1 3.05Å
264K90Very high92.1Very high131 Ų13162.7 Ų62.757%0.5734%0.337SS*.G310 helixtrans-58.8-23.6174.2-169.1173-178168.40113.4E266 T267 Y337K264-E266 VanDerWaalsContact C-N 3.29Å; K264-E266 PolarHBondContact O-N 2.97Å; K264-T267 PolarHBondContact O-N 3.26Å; K264-T267 PolarHBondContact O-OG1 3.32Å; K264-Y337 HydrophobicContact CB-CD2 3.68Å; K264-Y337 HydrophobicContact CB-CE2 3.83Å; K264-Y337 HydrophobicContact CB-CG 4.16Å; K264-Y337 HydrophobicContact CD-CD2 4.43Å; K264-Y337 HydrophobicContact CD-CE2 3.71Å; K264-Y337 HydrophobicContact CG-CD2 4.09Å; K264-Y337 HydrophobicContact CG-CE1 4.38Å; K264-Y337 HydrophobicContact CG-CE2 3.82Å; K264-Y337 HydrophobicContact CG-CG 4.44Å
265K89.9Confident92.3Very high201 Ų20161 Ų6187%0.87432%0.322SS*.G310 helixtrans-73.6-21.3-179.8-66.1-177.8-179.9178.60113.2S263 T267S263-K265 PolarHBondContact O-N 3.39Å; S263-K265 VanDerWaalsContact O-N 3.15Å; S263-K265 PolarHBondContact OG-N 3.19Å; K265-T267 VanDerWaalsContact C-N 3.35Å
266E90.5Very high92.4Very high74 Ų7458.2 Ų58.235%0.34631%0.305SS..G310 helixtrans-90.80179.5-71.6161-125.900112.3V261 K262 S263 K264V261-E266 HydrophobicContact CB-CB 3.75Å; V261-E266 HydrophobicContact CG1-CB 4.08Å; V261-E266 HydrophobicContact CG2-CB 4.08Å; K262-E266 PolarHBondContact N-OE2 3.28Å; S263-E266 PolarHBondContact O-N 3.4Å; S263-E266 VanDerWaalsContact O-N 3.16Å; S263-E266 PolarHBondContact OG-OE1 2.84Å; S263-E266 VanDerWaalsContact OG-OE1 3.05Å; K264-E266 VanDerWaalsContact C-N 3.29Å; K264-E266 PolarHBondContact O-N 2.97Å
267T92.7Very high92Very high33 Ų3358 Ų5820%0.20230%0.304CS..THydrogen-bonded Turntrans-70.8153.2178.362.80000111.2V261 K264 K265 V269 W334 Y337V261-T267 HydrophobicContact CG2-CG2 3.82Å; K264-T267 PolarHBondContact O-N 3.26Å; K264-T267 PolarHBondContact O-OG1 3.32Å; K265-T267 VanDerWaalsContact C-N 3.35Å; T267-V269 PolarHBondContact O-N 3.4Å; T267-W334 CarbonylContact C-O 3.44Å; T267-W334 WeakPolarHBondContact CA-O 3.46Å; T267-W334 WeakPolarHBondContact CB-O 3.41Å; T267-Y337 HydrophobicContact CG2-CD1 3.8Å; T267-Y337 HydrophobicContact CG2-CG 4.2Å
268G91.3Very high91.6Very high58 Ų5859.8 Ų59.860%0.59831%0.312SS*.THydrogen-bonded Turntrans75.14.8178.200000115.4P270 W334G268-P270 VanDerWaalsContact O-CD 3.28Å; G268-P270 WeakPolarHBondContact O-CD 3.49Å; G268-W334 PolarHBondContact N-O 3.13Å
269V92Very high91.2Very high83 Ų8356.1 Ų56.150%0.50330%0.299SS..  trans-95.9102.2174.6-174.40000109.3T267 V271 W334T267-V269 PolarHBondContact O-N 3.4Å; V269-V271 HydrophobicContact CG1-CG2 4.09Å; V269-V271 PolarHBondContact O-N 3.09Å; V269-W334 WeakPolarHBondContact O-CB 3.32Å
270P93Very high90.1Very high35 Ų3557.5 Ų57.523%0.22731%0.306CS..  trans-78.8122.5-174.5-8.827.6000111G268 E320 C321 W334G268-P270 VanDerWaalsContact O-CD 3.28Å; G268-P270 WeakPolarHBondContact O-CD 3.49Å; P270-E320 HydrophobicContact CB-CB 4.31Å; P270-E320 WeakPolarHBondContact O-CA 3.38Å; P270-C321 VanDerWaalsContact CB-O 3.26Å; P270-C321 WeakPolarHBondContact CB-O 3.39Å; P270-W334 HydrophobicContact CB-CD2 4.42Å; P270-W334 HydrophobicContact CB-CH2 4.41Å; P270-W334 HydrophobicContact CB-CZ2 3.85Å
271V92.4Very high88.7Confident76 Ų7659.9 Ų59.946%0.46133%0.327SS..  trans-131.4139.5-176.2-1760000110.8V269 C321 W334V269-V271 HydrophobicContact CG1-CG2 4.09Å; V269-V271 PolarHBondContact O-N 3.09Å; V271-C321 VanDerWaalsContact C-CB 3.45Å; V271-C321 VanDerWaalsContact O-CB 3.28Å; V271-C321 WeakPolarHBondContact O-CB 3.32Å; V271-W334 VanDerWaalsContact O-CZ3 3.27Å; V271-W334 WeakPolarHBondContact O-CZ3 3.29Å
272H94.4Very high88Confident17 Ų1766.6 Ų66.68%0.07935%0.35CS..  trans-77.4127170.4-73.3-68.4000111W274 C302 C305 T319 E320 C321H272-W274 HydrophobicContact CB-CD2 4.27Å; H272-W274 HydrophobicContact CB-CG 4.37Å; H272-W274 HydrophobicContact CB-CZ2 3.99Å; H272-W274 VanDerWaalsContact CB-NE1 3.27Å; H272-W274 AromaticContact CD2-CZ2 3.83Å; H272-W274 AromaticContact CG-CE2 3.85Å; H272-W274 AromaticContact CG-CZ2 3.7Å; H272-W274 AromaticContact CG-NE1 3.89Å; H272-W274 AromaticContact ND1-CZ2 3.95Å; H272-C302 PolarHBondContact ND1-SG 3.21Å; H272-C305 PolarHBondContact CE1-SG 3.39Å; H272-T319 PolarHBondContact CD2-O 3.32Å; H272-T319 VanDerWaalsContact CD2-O 3.26Å; H272-E320 PolarHBondContact NE2-O 3.38Å; H272-C321 HydrophobicContact CB-CB 4.46Å; H272-C321 WeakPolarHBondContact ND1-CB 3.44Å
273D94.1Very high88Confident49 Ų4966.1 Ų66.126%0.26235%0.348SS..  trans-9595.5164.6-80.8-71.5000109.2A257 C302 V303 W304A257-D273 HydrophobicContact CB-CB 3.88Å; D273-C302 WeakPolarHBondContact O-CA 3.35Å; D273-V303 HydrophobicContact CB-CB 4.43Å; D273-V303 HydrophobicContact CB-CG2 4.45Å; D273-V303 PolarHBondContact O-N 3.07Å; D273-W304 PolarHBondContact OD2-NE1 2.99Å
274W94.4Very high88.1Confident69 Ų6964.2 Ų64.226%0.26134%0.335SS..EExtended strand (participates in β ladder)trans-83.8131.8-178.7-65.9108.4000112.1H272 K300 H301 C302 T307 R309 A314H272-W274 HydrophobicContact CB-CD2 4.27Å; H272-W274 HydrophobicContact CB-CG 4.37Å; H272-W274 HydrophobicContact CB-CZ2 3.99Å; H272-W274 VanDerWaalsContact CB-NE1 3.27Å; H272-W274 AromaticContact CD2-CZ2 3.83Å; H272-W274 AromaticContact CG-CE2 3.85Å; H272-W274 AromaticContact CG-CZ2 3.7Å; H272-W274 AromaticContact CG-NE1 3.89Å; H272-W274 AromaticContact ND1-CZ2 3.95Å; W274-K300 HydrophobicContact CB-CB 4.32Å; W274-K300 HydrophobicContact CB-CD 4.14Å; W274-K300 HydrophobicContact CD2-CB 4.25Å; W274-K300 HydrophobicContact CE3-CB 3.67Å; W274-K300 HydrophobicContact CG-CD 4.43Å; W274-K300 HydrophobicContact CZ3-CB 4.38Å; W274-H301 WeakPolarHBondContact CA-O 3.39Å; W274-H301 VanDerWaalsContact CE3-C 3.45Å; W274-C302 HydrophobicContact CD2-CB 4.39Å; W274-C302 HydrophobicContact CE3-CB 3.9Å; W274-C302 HydrophobicContact CH2-CB 4.11Å; W274-C302 HydrophobicContact CZ3-CB 3.76Å; W274-T307 HydrophobicContact CH2-CG2 3.38Å; W274-T307 HydrophobicContact CZ2-CG2 4.48Å; W274-T307 HydrophobicContact CZ3-CG2 3.72Å; W274-R309 HydrophobicContact CH2-CB 4.37Å; W274-R309 HydrophobicContact CH2-CG 3.91Å; W274-R309 HydrophobicContact CZ3-CB 4.43Å; W274-R309 HydrophobicContact CZ3-CG 4.31Å; W274-A314 HydrophobicContact CD2-CB 4.18Å; W274-A314 HydrophobicContact CE3-CB 4.41Å; W274-A314 HydrophobicContact CH2-CB 4.37Å; W274-A314 HydrophobicContact CZ2-CB 4.13Å
275V94.1Very high88.1Confident14 Ų1461.7 Ų61.79%0.08533%0.327CS..EExtended strand (participates in β ladder)trans-114.5132.3169.6176.30000108.7C240 Y242 K300 H301 V303C240-V275 HydrophobicContact CB-CG2 3.98Å; Y242-V275 HydrophobicContact CD2-CG1 3.96Å; V275-K300 CarbonylContact O-C 3.02Å; V275-K300 VanDerWaalsContact O-CA 3.27Å; V275-K300 WeakPolarHBondContact O-CA 3.33Å; V275-H301 VanDerWaalsContact CB-CE1 3.47Å; V275-H301 WeakPolarHBondContact CB-CE1 3.38Å; V275-H301 VanDerWaalsContact CG1-CE1 3.5Å; V275-H301 WeakPolarHBondContact CG1-CE1 3.33Å; V275-H301 PolarHBondContact N-O 3.21Å; V275-H301 PolarHBondContact O-N 3.16Å; V275-V303 HydrophobicContact CG2-CG2 3.82Å
276S91.4Very high88.2Confident51 Ų5156.8 Ų56.836%0.35730%0.303SS..EExtended strand (participates in β ladder)trans-78.9146.6-176.5-56.70000113.1N221N221-S276 PolarHBondContact ND2-O 3.48Å
277G85Confident88.3Confident2 Ų255.6 Ų55.62%0.02130%0.303CS..SBendtrans82.3179160.700000116.8C279 T298 G299G277-C279 PolarHBondContact O-N 3.44Å; G277-C279 VanDerWaalsContact O-N 3.09Å; G277-C279 PolarHBondContact O-SG 3.09Å; G277-C279 VanDerWaalsContact O-SG 3.39Å; G277-T298 WeakPolarHBondContact CA-O 3.4Å; G277-G299 PolarHBondContact N-O 2.84Å
278N85.1Confident88.3Confident45 Ų4559.2 Ų59.224%0.24132%0.317CS..  trans55.425.6176.9-57.3-46.8000114.8Y219 D280Y219-N278 PolarHBondContact N-OD1 2.81Å; Y219-N278 PolarHBondContact O-ND2 3.43Å; N278-D280 PolarHBondContact O-N 2.94Å
279C83Confident88.3Confident5 Ų563.7 Ų63.73%0.03432%0.32CS..  trans-8715.6178-67.50000113G277 R282 I291 M308G277-C279 PolarHBondContact O-N 3.44Å; G277-C279 VanDerWaalsContact O-N 3.09Å; G277-C279 PolarHBondContact O-SG 3.09Å; G277-C279 VanDerWaalsContact O-SG 3.39Å; C279-R282 PolarHBondContact O-N 3.19Å; C279-I291 HydrophobicContact CB-CD1 3.97Å; C279-I291 HydrophobicContact CB-CG2 4.22Å; C279-M308 HydrophobicContact CB-CG 4.38Å; C279-M308 HydrophobicContact CB-SD 4.41Å
280D70.9Confident88.3Confident39 Ų3965.6 Ų65.621%0.20932%0.322CS..THydrogen-bonded Turntrans-57.1139.3-164-59.47.4000113N278 R282 S293N278-D280 PolarHBondContact O-N 2.94Å; D280-R282 PolarHBondContact O-N 2.7Å; D280-S293 WeakPolarHBondContact OD1-CB 3.26Å; D280-S293 WeakPolarHBondContact OD2-CB 3.42Å; D280-S293 PolarHBondContact OD2-OG 2.78Å; D280-S293 VanDerWaalsContact OD2-OG 3.1Å
281S64.6Low88.1Confident75 Ų7564 Ų6452%0.52431%0.312SS..THydrogen-bonded Turntrans67.88175.3-56.90000116.3I291S281-I291 PolarHBondContact N-O 3.26Å
282R79.3Confident87.6Confident158 Ų15867.5 Ų67.560%0.59632%0.32SS*.PPolyproline II helixtrans-94.9158.9167.4-67.5-166.9-180-142.310.1111.8C279 D280 I291 M308C279-R282 PolarHBondContact O-N 3.19Å; D280-R282 PolarHBondContact O-N 2.7Å; R282-I291 PolarHBondContact O-N 2.84Å; R282-M308 HydrophobicContact CB-CE 4.37Å; R282-M308 HydrophobicContact CB-SD 4.36Å; R282-M308 WeakPolarHBondContact CD-SD 3.32Å; R282-M308 HydrophobicContact CG-CE 4.38Å; R282-M308 HydrophobicContact CG-SD 4.44Å
283K89.9Confident86.4Confident134 Ų13468 Ų6858%0.58333%0.326SS*.BIsolated β-bridgetrans-80.8139.9172.4-66.7-178.2179.8-179.40108.3D285K283-D285 PolarHBondContact O-N 3.13Å
284C91.9Very high84.8Confident0 Ų072.1 Ų72.10%035%0.347CS..PPolyproline II helixtrans-65.8126.1168.6167.70000108.8R286 Q288 K289 I291 M308 H310C284-R286 PolarHBondContact O-N 3.18Å; C284-R286 VanDerWaalsContact O-N 3.15Å; C284-R286 PolarHBondContact SG-N 3.16Å; C284-R286 VanDerWaalsContact SG-N 3.43Å; C284-Q288 WeakPolarHBondContact O-CA 3.38Å; C284-Q288 PolarHBondContact O-N 3.26Å; C284-K289 PolarHBondContact N-O 3.1Å; C284-I291 HydrophobicContact CB-CD1 4.31Å; C284-I291 HydrophobicContact CB-CG1 4.07Å; C284-M308 CarbonylContact C-O 3.52Å; C284-M308 WeakPolarHBondContact CA-O 3.39Å; C284-H310 VanDerWaalsContact CB-CE1 3.46Å; C284-H310 WeakPolarHBondContact CB-CE1 3.44Å; C284-H310 VanDerWaalsContact CB-ND1 3.26Å; C284-H310 WeakPolarHBondContact CB-ND1 3.37Å
285D91.1Very high83.5Confident77 Ų7777.4 Ų77.441%0.41238%0.375SS..THydrogen-bonded Turntrans-66.1-19.5-176.9-65.8-50.4000113.1K283 Q288 T307 M308K283-D285 PolarHBondContact O-N 3.13Å; D285-Q288 PolarHBondContact O-NE2 2.59Å; D285-T307 WeakPolarHBondContact CB-OG1 3.07Å; D285-T307 VanDerWaalsContact CG-OG1 3.28Å; D285-T307 WeakPolarHBondContact OD2-CA 3.07Å; D285-T307 WeakPolarHBondContact OD2-CB 3.3Å; D285-T307 PolarHBondContact OD2-OG1 2.8Å; D285-M308 PolarHBondContact N-O 3.47Å; D285-M308 PolarHBondContact OD2-N 3.02Å
286R90.6Very high82.8Confident98 Ų9877.4 Ų77.437%0.3738%0.377SS..THydrogen-bonded Turntrans-82-64175.3-171.2-159.8-171.991.113.9112.1C284 C313 L316 E317C284-R286 PolarHBondContact O-N 3.18Å; C284-R286 VanDerWaalsContact O-N 3.15Å; C284-R286 PolarHBondContact SG-N 3.16Å; C284-R286 VanDerWaalsContact SG-N 3.43Å; R286-C313 HydrophobicContact CB-CB 4.16Å; R286-C313 PolarHBondContact NH1-O 2.92Å; R286-L316 PolarHBondContact NH1-O 3.49Å; R286-E317 PolarHBondContact NH1-O 3.01Å; R286-E317 PolarHBondContact NH2-O 2.78Å
287C92.4Very high82.5Confident49 Ų4976.6 Ų76.633%0.33137%0.369SS..THydrogen-bonded Turntrans-94-5.3-170.975.30000113.8K289 H310C287-K289 PolarHBondContact O-N 3.15Å; C287-H310 PolarHBondContact SG-CE1 3.02Å; C287-H310 PolarHBondContact SG-ND1 2.77Å
288Q93.2Very high82.5Confident110 Ų11078.1 Ų78.151%0.51438%0.378SS..  trans61.93.3-178.7-59.1-63.2-42.800115.4C284 D285C284-Q288 WeakPolarHBondContact O-CA 3.38Å; C284-Q288 PolarHBondContact O-N 3.26Å; D285-Q288 PolarHBondContact O-NE2 2.59Å
289K92.1Very high82.8Confident151 Ų15176 Ų7666%0.65737%0.367SS*.  trans-80.7151.4173.7-59.7177.5-177.9175.90110.7C284 C287 H310C284-K289 PolarHBondContact N-O 3.1Å; C287-K289 PolarHBondContact O-N 3.15Å; K289-H310 PolarHBondContact O-CE1 2.94Å
290K91Very high83.3Confident124 Ų12478.6 Ų78.654%0.53938%0.377SS..BIsolated β-bridgetrans-64.6134.9179.3-161173.3-176.5178.30110.7K292 H310K290-K292 PolarHBondContact O-N 3.44Å; K290-H310 PolarHBondContact O-NE2 3.08Å; K290-H310 VanDerWaalsContact O-NE2 3.12Å
291I88.6Confident84.4Confident2 Ų277.4 Ų77.41%0.0137%0.371CS..  trans-79.7109.2168.2-55.4173.4000106.5C279 S281 R282 C284 M308C279-I291 HydrophobicContact CB-CD1 3.97Å; C279-I291 HydrophobicContact CB-CG2 4.22Å; S281-I291 PolarHBondContact N-O 3.26Å; R282-I291 PolarHBondContact O-N 2.84Å; C284-I291 HydrophobicContact CB-CD1 4.31Å; C284-I291 HydrophobicContact CB-CG1 4.07Å; I291-M308 HydrophobicContact CD1-CB 4.11Å
292K82.1Confident85.9Confident148 Ų14873.9 Ų73.964%0.64335%0.346SS*.  trans-96.6119-179.2-67.3-175.3-179.2-179.10108.7K290 L294 T298K290-K292 PolarHBondContact O-N 3.44Å; K292-L294 HydrophobicContact CB-CD1 4.01Å; K292-L294 HydrophobicContact CD-CD1 4.17Å; K292-T298 PolarHBondContact O-OG1 2.99Å
293S68.6Low86.6Confident29 Ų2966.4 Ų66.420%0.20332%0.318CS..  trans-93104.9165.4176.80000108Y219 D280 G296 T298Y219-S293 WeakPolarHBondContact CE2-OG 3.3Å; D280-S293 WeakPolarHBondContact OD1-CB 3.26Å; D280-S293 WeakPolarHBondContact OD2-CB 3.42Å; D280-S293 PolarHBondContact OD2-OG 2.78Å; D280-S293 VanDerWaalsContact OD2-OG 3.1Å; S293-G296 PolarHBondContact OG-O 3.08Å; S293-T298 VanDerWaalsContact CA-OG1 3.32Å; S293-T298 WeakPolarHBondContact CA-OG1 3.36Å; S293-T298 WeakPolarHBondContact CB-OG1 3.39Å
294L61Low86.9Confident134 Ų13460.2 Ų60.270%0.70229%0.291SS*.SBendtrans-96.7-16.7-177.6-93.2138.2000112.6K292K292-L294 HydrophobicContact CB-CD1 4.01Å; K292-L294 HydrophobicContact CD-CD1 4.17Å
295Q67.6Low87Confident181 Ų18160.8 Ų60.885%0.84630%0.295SS*.SBendtrans176.636.3177.7-100.5147.725.900112.6
296G79.5Confident87.1Confident13 Ų1358.8 Ų58.813%0.13428%0.283CS..SBendtrans172.2-174.8-178.200000115.3S293 T298S293-G296 PolarHBondContact OG-O 3.08Å; G296-T298 PolarHBondContact O-N 3Å
297L84.6Confident87.2Confident35 Ų3554.9 Ų54.918%0.18327%0.27CS..  trans-63.3116.9172.4-65.7166.4000109.6Q224Q224-L297 HydrophobicContact CB-CD1 4.35Å; Q224-L297 HydrophobicContact CG-CD1 3.96Å
298T86.5Confident87.3Confident33 Ų3353.8 Ų53.820%0.20226%0.26CS..  trans-130.7141.5176.658.40000111.7G277 K292 S293 G296G277-T298 WeakPolarHBondContact CA-O 3.4Å; K292-T298 PolarHBondContact O-OG1 2.99Å; S293-T298 VanDerWaalsContact CA-OG1 3.32Å; S293-T298 WeakPolarHBondContact CA-OG1 3.36Å; S293-T298 WeakPolarHBondContact CB-OG1 3.39Å; G296-T298 PolarHBondContact O-N 3Å
299G90.8Very high87.3Confident1 Ų149.6 Ų49.61%0.0124%0.24CC..  trans77.6173.4-177.800000113.4G277 R309 D311G277-G299 PolarHBondContact N-O 2.84Å; G299-R309 CarbonylContact C-O 3.54Å; G299-R309 WeakPolarHBondContact CA-O 3.48Å; G299-D311 WeakPolarHBondContact CA-OD2 3.2Å; G299-D311 PolarHBondContact N-OD2 3.43Å
300K93.2Very high87.3Confident59 Ų5944.5 Ų44.526%0.25722%0.218SC..EExtended strand (participates in β ladder)trans-135.3142.5176.3-64.2179.4177.5176.60109.5W274 V275 M308 R309 D311 A314W274-K300 HydrophobicContact CB-CB 4.32Å; W274-K300 HydrophobicContact CB-CD 4.14Å; W274-K300 HydrophobicContact CD2-CB 4.25Å; W274-K300 HydrophobicContact CE3-CB 3.67Å; W274-K300 HydrophobicContact CG-CD 4.43Å; W274-K300 HydrophobicContact CZ3-CB 4.38Å; V275-K300 CarbonylContact O-C 3.02Å; V275-K300 VanDerWaalsContact O-CA 3.27Å; V275-K300 WeakPolarHBondContact O-CA 3.33Å; K300-M308 CarbonylContact O-C 3.59Å; K300-M308 WeakPolarHBondContact O-CA 3.39Å; K300-R309 PolarHBondContact N-O 3.36Å; K300-R309 PolarHBondContact O-N 2.95Å; K300-D311 VanDerWaalsContact CE-OD1 3.25Å; K300-D311 WeakPolarHBondContact CE-OD1 3.22Å; K300-A314 HydrophobicContact CB-CB 4.33Å; K300-A314 HydrophobicContact CD-CB 3.93Å
301H94.3Very high87.3Confident15 Ų1541.8 Ų41.87%0.06921%0.21CC..EExtended strand (participates in β ladder)trans-114.4141.3167.268.7-88.6000111C240 W274 V275 T307 M308C240-H301 PolarHBondContact O-CE1 3.35Å; C240-H301 PolarHBondContact O-NE2 2.92Å; W274-H301 WeakPolarHBondContact CA-O 3.39Å; W274-H301 VanDerWaalsContact CE3-C 3.45Å; V275-H301 VanDerWaalsContact CB-CE1 3.47Å; V275-H301 WeakPolarHBondContact CB-CE1 3.38Å; V275-H301 VanDerWaalsContact CG1-CE1 3.5Å; V275-H301 WeakPolarHBondContact CG1-CE1 3.33Å; V275-H301 PolarHBondContact N-O 3.21Å; V275-H301 PolarHBondContact O-N 3.16Å; H301-T307 CarbonylContact C-O 3.6Å; H301-T307 WeakPolarHBondContact CA-O 3.36Å; H301-M308 HydrophobicContact CB-CG 3.62Å
302C95.3Very high87.4Confident0 Ų049.4 Ų49.40%025%0.245CC..EExtended strand (participates in β ladder)trans-86.4133.4173178.40000109.3H272 D273 W274 W304 C305 H306 T307H272-C302 PolarHBondContact ND1-SG 3.21Å; D273-C302 WeakPolarHBondContact O-CA 3.35Å; W274-C302 HydrophobicContact CD2-CB 4.39Å; W274-C302 HydrophobicContact CE3-CB 3.9Å; W274-C302 HydrophobicContact CH2-CB 4.11Å; W274-C302 HydrophobicContact CZ3-CB 3.76Å; C302-W304 PolarHBondContact O-N 2.91Å; C302-C305 WeakPolarHBondContact CB-SG 3.42Å; C302-H306 VanDerWaalsContact O-CA 3.25Å; C302-H306 WeakPolarHBondContact O-CA 3.27Å; C302-H306 PolarHBondContact O-N 2.59Å; C302-T307 HydrophobicContact CB-CG2 4.06Å; C302-T307 PolarHBondContact N-O 3.26Å
303V95.4Very high87.9Confident2 Ų243 Ų431%0.01222%0.219CC..THydrogen-bonded Turntrans-63.7-39.8179-179.90000112.1C240 A257 D273 V275 H306C240-V303 HydrophobicContact CB-CG2 3.67Å; A257-V303 HydrophobicContact CB-CB 4.06Å; A257-V303 HydrophobicContact CB-CG1 4.06Å; A257-V303 HydrophobicContact CB-CG2 3.82Å; D273-V303 HydrophobicContact CB-CB 4.43Å; D273-V303 HydrophobicContact CB-CG2 4.45Å; D273-V303 PolarHBondContact O-N 3.07Å; V275-V303 HydrophobicContact CG2-CG2 3.82Å; V303-H306 PolarHBondContact O-CE1 2.87Å; V303-H306 PolarHBondContact O-NE2 3.28Å
304W95.3Very high88.9Confident3 Ų342.2 Ų42.21%0.01121%0.214CC..THydrogen-bonded Turntrans-86.1-45.4-173.5-48.7123.5000114.9A257 R258 D273 C302 I330 P333 W334 N405A257-W304 HydrophobicContact CB-CH2 4.39Å; A257-W304 HydrophobicContact CB-CZ2 3.74Å; R258-W304 WeakPolarHBondContact O-CZ2 3.47Å; D273-W304 PolarHBondContact OD2-NE1 2.99Å; C302-W304 PolarHBondContact O-N 2.91Å; W304-I330 WeakPolarHBondContact O-CD1 3.38Å; W304-P333 HydrophobicContact CD2-CG 4.05Å; W304-P333 HydrophobicContact CH2-CG 3.98Å; W304-P333 HydrophobicContact CZ2-CG 3.33Å; W304-W334 AromaticContact CD1-CZ3 3.96Å; W304-N405 HydrophobicContact CZ3-CB 4.2Å
305C94.6Very high90.2Very high12 Ų1239.7 Ų39.78%0.08121%0.213CC..THydrogen-bonded Turntrans-94.5-1.5179.869.10000114.3H272 C302 T307 G324H272-C305 PolarHBondContact CE1-SG 3.39Å; C302-C305 WeakPolarHBondContact CB-SG 3.42Å; C305-T307 PolarHBondContact O-N 3.16Å; C305-T307 WeakPolarHBondContact SG-CG2 3.38Å; C305-G324 VanDerWaalsContact CB-N 3.32Å
306H93.4Very high91.2Very high35 Ų3535.6 Ų35.616%0.16220%0.196CC..  trans57.310.7178.6-61.4-74.4000115.6C302 V303 Y402 L403C302-H306 VanDerWaalsContact O-CA 3.25Å; C302-H306 WeakPolarHBondContact O-CA 3.27Å; C302-H306 PolarHBondContact O-N 2.59Å; V303-H306 PolarHBondContact O-CE1 2.87Å; V303-H306 PolarHBondContact O-NE2 3.28Å; H306-Y402 AromaticContact CE1-CZ 3.97Å; H306-Y402 PolarHBondContact CE1-O 3.19Å; H306-Y402 AromaticContact ND1-CE1 4Å; H306-Y402 AromaticContact ND1-CZ 3.66Å; H306-L403 PolarHBondContact NE2-O 3.08Å; H306-L403 VanDerWaalsContact NE2-O 3.07Å
307T92.8Very high91.1Very high17 Ų1742.2 Ų42.210%0.10422%0.223CC..  trans-70.3145.1176.8-164.90000110.3W274 D285 H301 C302 C305 R309W274-T307 HydrophobicContact CH2-CG2 3.38Å; W274-T307 HydrophobicContact CZ2-CG2 4.48Å; W274-T307 HydrophobicContact CZ3-CG2 3.72Å; D285-T307 WeakPolarHBondContact CB-OG1 3.07Å; D285-T307 VanDerWaalsContact CG-OG1 3.28Å; D285-T307 WeakPolarHBondContact OD2-CA 3.07Å; D285-T307 WeakPolarHBondContact OD2-CB 3.3Å; D285-T307 PolarHBondContact OD2-OG1 2.8Å; H301-T307 CarbonylContact C-O 3.6Å; H301-T307 WeakPolarHBondContact CA-O 3.36Å; C302-T307 HydrophobicContact CB-CG2 4.06Å; C302-T307 PolarHBondContact N-O 3.26Å; C305-T307 PolarHBondContact O-N 3.16Å; C305-T307 WeakPolarHBondContact SG-CG2 3.38Å; T307-R309 HydrophobicContact CG2-CG 4.41Å
308M93.1Very high90.9Very high25 Ų2544.3 Ų44.312%0.12324%0.239CC..EExtended strand (participates in β ladder)trans-115.8130172.8-77162.6-68.500110.4C279 R282 C284 D285 I291 K300 H301C279-M308 HydrophobicContact CB-CG 4.38Å; C279-M308 HydrophobicContact CB-SD 4.41Å; R282-M308 HydrophobicContact CB-CE 4.37Å; R282-M308 HydrophobicContact CB-SD 4.36Å; R282-M308 WeakPolarHBondContact CD-SD 3.32Å; R282-M308 HydrophobicContact CG-CE 4.38Å; R282-M308 HydrophobicContact CG-SD 4.44Å; C284-M308 CarbonylContact C-O 3.52Å; C284-M308 WeakPolarHBondContact CA-O 3.39Å; D285-M308 PolarHBondContact N-O 3.47Å; D285-M308 PolarHBondContact OD2-N 3.02Å; I291-M308 HydrophobicContact CD1-CB 4.11Å; K300-M308 CarbonylContact O-C 3.59Å; K300-M308 WeakPolarHBondContact O-CA 3.39Å; H301-M308 HydrophobicContact CB-CG 3.62Å
309R93Very high90.9Very high23 Ų2347.2 Ų47.29%0.08726%0.257CS..EExtended strand (participates in β ladder)trans-131.6153.3-178.5-62.7-173.8-174.6170.74.1110.5W274 G299 K300 T307 C313 A314 P318W274-R309 HydrophobicContact CH2-CB 4.37Å; W274-R309 HydrophobicContact CH2-CG 3.91Å; W274-R309 HydrophobicContact CZ3-CB 4.43Å; W274-R309 HydrophobicContact CZ3-CG 4.31Å; G299-R309 CarbonylContact C-O 3.54Å; G299-R309 WeakPolarHBondContact CA-O 3.48Å; K300-R309 PolarHBondContact N-O 3.36Å; K300-R309 PolarHBondContact O-N 2.95Å; T307-R309 HydrophobicContact CG2-CG 4.41Å; R309-C313 HydrophobicContact CB-CB 3.96Å; R309-A314 HydrophobicContact CB-CB 4.13Å; R309-P318 PolarHBondContact NH1-O 2.89Å
310H92.8Very high91Very high44 Ų4453 Ų5320%0.20428%0.283CS..  trans-58.9154.5159.6-61103.4000109.5C284 C287 K289 K290 E312 C313 A314C284-H310 VanDerWaalsContact CB-CE1 3.46Å; C284-H310 WeakPolarHBondContact CB-CE1 3.44Å; C284-H310 VanDerWaalsContact CB-ND1 3.26Å; C284-H310 WeakPolarHBondContact CB-ND1 3.37Å; C287-H310 PolarHBondContact SG-CE1 3.02Å; C287-H310 PolarHBondContact SG-ND1 2.77Å; K289-H310 PolarHBondContact O-CE1 2.94Å; K290-H310 PolarHBondContact O-NE2 3.08Å; K290-H310 VanDerWaalsContact O-NE2 3.12Å; H310-E312 VanDerWaalsContact C-N 3.27Å; H310-E312 PolarHBondContact O-N 3.24Å; H310-C313 HydrophobicContact CB-CB 4.07Å; H310-C313 WeakPolarHBondContact O-CA 3.37Å; H310-C313 WeakPolarHBondContact O-CB 3.25Å; H310-C313 PolarHBondContact O-N 3.23Å; H310-A314 PolarHBondContact O-N 3.16Å
311D90.3Very high91Very high67 Ų6750.3 Ų50.336%0.35827%0.272SS..Hα-helixtrans-53.4-45179.7-64.7-85.1000112.5G299 K300 A314G299-D311 WeakPolarHBondContact CA-OD2 3.2Å; G299-D311 PolarHBondContact N-OD2 3.43Å; K300-D311 VanDerWaalsContact CE-OD1 3.25Å; K300-D311 WeakPolarHBondContact CE-OD1 3.22Å; D311-A314 PolarHBondContact O-N 3.33Å
312E91.3Very high91Very high162 Ų16254.1 Ų54.176%0.75730%0.297SS*.Hα-helixtrans-64.7-39.6175-62.5167.1-161.200112.2H310 A314 A315 L316H310-E312 VanDerWaalsContact C-N 3.27Å; H310-E312 PolarHBondContact O-N 3.24Å; E312-A314 VanDerWaalsContact C-N 3.29Å; E312-A314 PolarHBondContact O-N 3.45Å; E312-A315 PolarHBondContact O-N 2.9Å; E312-L316 WeakPolarHBondContact O-CG 3.34Å
313C92.3Very high91Very high14 Ų1454.4 Ų54.410%0.09530%0.299CS..Hα-helixtrans-69.8-26.6-179.5-74.20000112.8R286 R309 H310R286-C313 HydrophobicContact CB-CB 4.16Å; R286-C313 PolarHBondContact NH1-O 2.92Å; R309-C313 HydrophobicContact CB-CB 3.96Å; H310-C313 HydrophobicContact CB-CB 4.07Å; H310-C313 WeakPolarHBondContact O-CA 3.37Å; H310-C313 WeakPolarHBondContact O-CB 3.25Å; H310-C313 PolarHBondContact O-N 3.23Å
314A90.7Very high91Very high12 Ų1255.7 Ų55.710%0.09931%0.312CS..Hα-helixtrans-75.1-26.4177.800000113W274 K300 R309 H310 D311 E312 L316W274-A314 HydrophobicContact CD2-CB 4.18Å; W274-A314 HydrophobicContact CE3-CB 4.41Å; W274-A314 HydrophobicContact CH2-CB 4.37Å; W274-A314 HydrophobicContact CZ2-CB 4.13Å; K300-A314 HydrophobicContact CB-CB 4.33Å; K300-A314 HydrophobicContact CD-CB 3.93Å; R309-A314 HydrophobicContact CB-CB 4.13Å; H310-A314 PolarHBondContact O-N 3.16Å; D311-A314 PolarHBondContact O-N 3.33Å; E312-A314 VanDerWaalsContact C-N 3.29Å; E312-A314 PolarHBondContact O-N 3.45Å; A314-L316 VanDerWaalsContact C-N 3.32Å
315A87.9Confident90.9Very high81 Ų8161.2 Ų61.267%0.66935%0.347SS*.SBendtrans-80.6-11.8178.600000113.8E312E312-A315 PolarHBondContact O-N 2.9Å
316L87.8Confident91Very high94 Ų9461.1 Ų61.149%0.49235%0.345SS..SBendtrans-99.4153.6-177-63.6171.6000111.1R286 E312 A314R286-L316 PolarHBondContact NH1-O 3.49Å; E312-L316 WeakPolarHBondContact O-CG 3.34Å; A314-L316 VanDerWaalsContact C-N 3.32Å
317E78.1Confident91.1Very high153 Ų15364.4 Ų64.472%0.71536%0.356SS*.SBendtrans-55.8145.4-180-73.3-169.1160.100114.1R286R286-E317 PolarHBondContact NH1-O 3.01Å; R286-E317 PolarHBondContact NH2-O 2.78Å
318P81.4Confident91.3Very high79 Ų7964.5 Ų64.551%0.51336%0.356SS..PPolyproline II helixcis-78.3138.55.230.2-33.8000112.1R309R309-P318 PolarHBondContact NH1-O 2.89Å
319T85.6Confident91.5Very high93 Ų9363.3 Ų63.357%0.57135%0.35SS*.  trans-86.6-21.7175.749.70000112.2H272H272-T319 PolarHBondContact CD2-O 3.32Å; H272-T319 VanDerWaalsContact CD2-O 3.26Å
320E92.4Very high91.8Very high122 Ų12262.3 Ų62.357%0.5735%0.346SS*.SBendtrans-84.5134.5179.2-65-178.2178.800112.2P270 H272P270-E320 HydrophobicContact CB-CB 4.31Å; P270-E320 WeakPolarHBondContact O-CA 3.38Å; H272-E320 PolarHBondContact NE2-O 3.38Å
321C94.5Very high91.9Very high4 Ų460.2 Ų60.23%0.02734%0.337CS..  trans-85.7125.2178.4-174.80000111.9P270 V271 H272 W334P270-C321 VanDerWaalsContact CB-O 3.26Å; P270-C321 WeakPolarHBondContact CB-O 3.39Å; V271-C321 VanDerWaalsContact C-CB 3.45Å; V271-C321 VanDerWaalsContact O-CB 3.28Å; V271-C321 WeakPolarHBondContact O-CB 3.32Å; H272-C321 HydrophobicContact CB-CB 4.46Å; H272-C321 WeakPolarHBondContact ND1-CB 3.44Å; C321-W334 HydrophobicContact CB-CH2 3.77Å; C321-W334 HydrophobicContact CB-CZ3 4.33Å
322T94Very high92.2Very high95 Ų9557.2 Ų57.258%0.58332%0.321SS*.  trans-93.24178.860.80000114.1G324 R327T322-G324 PolarHBondContact O-N 3.38Å; T322-G324 PolarHBondContact OG1-N 2.91Å; T322-R327 WeakPolarHBondContact O-CB 3.36Å; T322-R327 WeakPolarHBondContact O-CG 3.39Å
323C95.3Very high92.4Very high6 Ų649.8 Ų49.84%0.04129%0.287CS..  trans58.48.3-167.7-62.20000114.8L326 R327 I330C323-L326 PolarHBondContact O-N 2.96Å; C323-R327 HydrophobicContact CB-CB 4.08Å; C323-R327 HydrophobicContact CB-CG 4.42Å; C323-R327 PolarHBondContact O-N 2.71Å; C323-I330 HydrophobicContact CB-CB 4.35Å; C323-I330 HydrophobicContact CB-CD1 4.27Å; C323-I330 HydrophobicContact CB-CG2 4.44Å
324G94.2Very high92.6Very high29 Ų2950.3 Ų50.330%0.29929%0.287SS..G310 helixtrans59.8-145170.300000113.1C305 T322 L326 R327C305-G324 VanDerWaalsContact CB-N 3.32Å; T322-G324 PolarHBondContact O-N 3.38Å; T322-G324 PolarHBondContact OG1-N 2.91Å; G324-L326 PolarHBondContact O-N 3.03Å; G324-R327 WeakPolarHBondContact O-CB 3.39Å; G324-R327 PolarHBondContact O-N 3.14Å
325T94.3Very high92.8Very high119 Ų11949.9 Ų49.973%0.7328%0.283SS*.G310 helixtrans-69.2-11.4-177.959.40000113.9
326L96Very high93.2Very high10 Ų1046 Ų465%0.05225%0.251CS..G310 helixtrans-105.412.2-179-57.8-175.4000112.1C323 G324 D328 H329 I330 L403 L489C323-L326 PolarHBondContact O-N 2.96Å; G324-L326 PolarHBondContact O-N 3.03Å; L326-D328 PolarHBondContact O-N 3.31Å; L326-D328 VanDerWaalsContact O-N 3.14Å; L326-H329 PolarHBondContact O-N 3.36Å; L326-I330 HydrophobicContact CB-CD1 3.63Å; L326-I330 HydrophobicContact CB-CG1 3.95Å; L326-I330 WeakPolarHBondContact O-CG1 3.42Å; L326-I330 PolarHBondContact O-N 2.89Å; L326-L403 HydrophobicContact CD1-CB 4.16Å; L326-L403 HydrophobicContact CD1-CD2 4.21Å; L326-L489 HydrophobicContact CD1-CD1 4.06Å; L326-L489 HydrophobicContact CD2-CB 4.23Å; L326-L489 HydrophobicContact CD2-CD1 3.75Å
327R96.2Very high93.4Very high103 Ų10342.4 Ų42.439%0.38923%0.231SC..THydrogen-bonded Turntrans-48.7-40.9-178.4178.5-176.7172.7-79.5-11.1113.5T322 C323 G324 H329 P375 N376 T377T322-R327 WeakPolarHBondContact O-CB 3.36Å; T322-R327 WeakPolarHBondContact O-CG 3.39Å; C323-R327 HydrophobicContact CB-CB 4.08Å; C323-R327 HydrophobicContact CB-CG 4.42Å; C323-R327 PolarHBondContact O-N 2.71Å; G324-R327 WeakPolarHBondContact O-CB 3.39Å; G324-R327 PolarHBondContact O-N 3.14Å; R327-H329 VanDerWaalsContact C-N 3.26Å; R327-H329 PolarHBondContact O-N 2.89Å; R327-P375 PolarHBondContact NH2-O 3.09Å; R327-N376 PolarHBondContact NH1-O 3.34Å; R327-T377 HydrophobicContact CG-CG2 4.09Å; R327-T377 WeakPolarHBondContact O-CG2 3.15Å
328D97.1Very high94.1Very high19 Ų1935.9 Ų35.910%0.10220%0.202CC..THydrogen-bonded Turntrans-63.9-33.3-178.3-168.149.8000112.5L326 T377 H378 R431L326-D328 PolarHBondContact O-N 3.31Å; L326-D328 VanDerWaalsContact O-N 3.14Å; D328-T377 WeakPolarHBondContact OD1-CA 3.35Å; D328-H378 CarbonylContact O-C 3.58Å; D328-H378 PolarHBondContact O-N 3.25Å; D328-H378 IonicContact OD1-CE1 3.6Å; D328-H378 IonicContact OD1-CG 2.7Å; D328-H378 PolarHBondContact OD1-N 3.35Å; D328-H378 VanDerWaalsContact OD1-N 3.08Å; D328-H378 IonicContact OD1-ND1 3.44Å; D328-H378 PolarHBondContact OD1-ND1 3.23Å; D328-H378 IonicContact OD2-ND1 3.52Å; D328-R431 IonicContact OD2-CZ 2.66Å; D328-R431 IonicContact OD2-NH1 2.66Å; D328-R431 PolarHBondContact OD2-NH1 3.04Å; D328-R431 IonicContact OD2-NH2 2.88Å
329H97.9Very high94.3Very high1 Ų134.5 Ų34.51%0.00519%0.192CC..THydrogen-bonded Turntrans-97-29.3-173.2-57.2-66.4000113.8L326 R327 L380 L404 Q408 L489L326-H329 PolarHBondContact O-N 3.36Å; R327-H329 VanDerWaalsContact C-N 3.26Å; R327-H329 PolarHBondContact O-N 2.89Å; H329-L380 HydrophobicContact CB-CB 3.96Å; H329-L380 PolarHBondContact O-N 3.15Å; H329-L404 HydrophobicContact CB-CD2 3.83Å; H329-Q408 PolarHBondContact O-NE2 3.14Å; H329-L489 HydrophobicContact CB-CD2 4.44Å; H329-L489 PolarHBondContact CE1-O 2.75Å; H329-L489 PolarHBondContact NE2-O 3.39Å
330I97.4Very high93.7Very high1 Ų136.4 Ų36.41%0.00520%0.197CC..  trans-75.3128.1-175-68.9176000109.9W304 C323 L326 P332 L404W304-I330 WeakPolarHBondContact O-CD1 3.38Å; C323-I330 HydrophobicContact CB-CB 4.35Å; C323-I330 HydrophobicContact CB-CD1 4.27Å; C323-I330 HydrophobicContact CB-CG2 4.44Å; L326-I330 HydrophobicContact CB-CD1 3.63Å; L326-I330 HydrophobicContact CB-CG1 3.95Å; L326-I330 WeakPolarHBondContact O-CG1 3.42Å; L326-I330 PolarHBondContact O-N 2.89Å; I330-P332 WeakPolarHBondContact O-CD 3.15Å; I330-L404 HydrophobicContact CG1-CD2 3.85Å
331L96.4Very high92.1Very high1 Ų137.3 Ų37.31%0.00520%0.199CC..  trans-88.699.1161.9-174.461.2000108.3A335 I336 I371 P379 N405 Q408 F423 F424L331-A335 HydrophobicContact CD1-CB 3.75Å; L331-I336 HydrophobicContact CD2-CD1 3.57Å; L331-I336 HydrophobicContact CD2-CG1 3.78Å; L331-I336 HydrophobicContact CG-CD1 3.82Å; L331-I336 HydrophobicContact CG-CG1 3.87Å; L331-I371 HydrophobicContact CD1-CG2 3.57Å; L331-I371 HydrophobicContact CD2-CD1 3.71Å; L331-I371 HydrophobicContact CD2-CG1 4Å; L331-I371 HydrophobicContact CD2-CG2 4.1Å; L331-I371 HydrophobicContact CG-CG2 4.43Å; L331-P379 HydrophobicContact CB-CB 4.22Å; L331-P379 HydrophobicContact CD1-CB 4.33Å; L331-P379 HydrophobicContact CD1-CG 4.16Å; L331-N405 WeakPolarHBondContact O-CB 3.36Å; L331-N405 PolarHBondContact O-ND2 3.02Å; L331-Q408 HydrophobicContact CB-CG 3.68Å; L331-Q408 HydrophobicContact CD2-CG 4.36Å; L331-F423 HydrophobicContact CD2-CE1 4.18Å; L331-F423 HydrophobicContact CD2-CZ 4.49Å; L331-F424 HydrophobicContact CD2-CZ 4.17Å
332P95.9Very high89.8Confident3 Ų345.8 Ų45.82%0.01924%0.239CC..  trans-70.5158.2-172.129.9-35.7000111.7I330 W334 A335 V374I330-P332 WeakPolarHBondContact O-CD 3.15Å; P332-W334 HydrophobicContact CB-CD2 3.63Å; P332-W334 HydrophobicContact CB-CE3 3.97Å; P332-W334 HydrophobicContact CB-CG 4.26Å; P332-W334 HydrophobicContact CB-CH2 3.72Å; P332-W334 HydrophobicContact CB-CZ2 3.37Å; P332-W334 HydrophobicContact CB-CZ3 4.01Å; P332-W334 HydrophobicContact CG-CD2 4.17Å; P332-W334 HydrophobicContact CG-CG 4.38Å; P332-W334 HydrophobicContact CG-CZ2 3.97Å; P332-W334 PolarHBondContact O-N 2.91Å; P332-A335 HydrophobicContact CG-CB 3.88Å; P332-A335 WeakPolarHBondContact O-CB 2.97Å; P332-A335 PolarHBondContact O-N 2.77Å; P332-V374 HydrophobicContact CG-CG2 4.12Å
333P95.7Very high87.4Confident6 Ų652.2 Ų52.24%0.03925%0.252CS..G310 helixtrans-57.3-35.3178.8-26.235.3000113.9R258 T259 Y260 V261 W304 A335 I336R258-P333 WeakPolarHBondContact O-CB 3.5Å; R258-P333 WeakPolarHBondContact O-CG 3.37Å; T259-P333 WeakPolarHBondContact O-CA 3.48Å; Y260-P333 WeakPolarHBondContact CA-O 2.95Å; V261-P333 PolarHBondContact N-O 3.23Å; W304-P333 HydrophobicContact CD2-CG 4.05Å; W304-P333 HydrophobicContact CH2-CG 3.98Å; W304-P333 HydrophobicContact CZ2-CG 3.33Å; P333-A335 PolarHBondContact O-N 2.77Å; P333-A335 VanDerWaalsContact O-N 3.14Å; P333-I336 PolarHBondContact O-N 2.87Å; P333-I336 VanDerWaalsContact O-N 3.08Å; P333-I336 VanDerWaalsContact O-O 3.11Å
334W95.8Very high84.6Confident26 Ų2658 Ų5810%0.09829%0.29CS..G310 helixtrans-74.46.3176.659.784.8000114.2V261 T267 G268 V269 P270 V271 W304 C321 P332V261-W334 HydrophobicContact CG1-CB 4.19Å; T267-W334 CarbonylContact C-O 3.44Å; T267-W334 WeakPolarHBondContact CA-O 3.46Å; T267-W334 WeakPolarHBondContact CB-O 3.41Å; G268-W334 PolarHBondContact N-O 3.13Å; V269-W334 WeakPolarHBondContact O-CB 3.32Å; P270-W334 HydrophobicContact CB-CD2 4.42Å; P270-W334 HydrophobicContact CB-CH2 4.41Å; P270-W334 HydrophobicContact CB-CZ2 3.85Å; V271-W334 VanDerWaalsContact O-CZ3 3.27Å; V271-W334 WeakPolarHBondContact O-CZ3 3.29Å; W304-W334 AromaticContact CD1-CZ3 3.96Å; C321-W334 HydrophobicContact CB-CH2 3.77Å; C321-W334 HydrophobicContact CB-CZ3 4.33Å; P332-W334 HydrophobicContact CB-CD2 3.63Å; P332-W334 HydrophobicContact CB-CE3 3.97Å; P332-W334 HydrophobicContact CB-CG 4.26Å; P332-W334 HydrophobicContact CB-CH2 3.72Å; P332-W334 HydrophobicContact CB-CZ2 3.37Å; P332-W334 HydrophobicContact CB-CZ3 4.01Å; P332-W334 HydrophobicContact CG-CD2 4.17Å; P332-W334 HydrophobicContact CG-CG 4.38Å; P332-W334 HydrophobicContact CG-CZ2 3.97Å; P332-W334 PolarHBondContact O-N 2.91Å
335A96Very high81.9Confident2 Ų264 Ų642%0.01732%0.315CS..G310 helixtrans-104.8-5.5167.800000112.8L331 P332 P333 I371 S372 V374L331-A335 HydrophobicContact CD1-CB 3.75Å; P332-A335 HydrophobicContact CG-CB 3.88Å; P332-A335 WeakPolarHBondContact O-CB 2.97Å; P332-A335 PolarHBondContact O-N 2.77Å; P333-A335 PolarHBondContact O-N 2.77Å; P333-A335 VanDerWaalsContact O-N 3.14Å; A335-I371 CarbonylContact O-C 3.55Å; A335-I371 WeakPolarHBondContact O-CA 3.42Å; A335-S372 PolarHBondContact O-N 2.8Å; A335-V374 HydrophobicContact CB-CG2 3.44Å; A335-V374 VanDerWaalsContact CB-CG2 3.44Å
336I95.4Very high79.2Confident0 Ų065.6 Ų65.60%032%0.319CS..EExtended strand (participates in β ladder)trans-118.9132.8-176-52.1175.3000109T259 Y260 V261 L331 P333 L369 Q370 R407 F423T259-I336 WeakPolarHBondContact O-CD1 3.39Å; Y260-I336 WeakPolarHBondContact CB-O 3.11Å; Y260-I336 HydrophobicContact CG-CG2 4.48Å; V261-I336 WeakPolarHBondContact CG2-O 3.03Å; V261-I336 PolarHBondContact N-O 2.94Å; L331-I336 HydrophobicContact CD2-CD1 3.57Å; L331-I336 HydrophobicContact CD2-CG1 3.78Å; L331-I336 HydrophobicContact CG-CD1 3.82Å; L331-I336 HydrophobicContact CG-CG1 3.87Å; P333-I336 PolarHBondContact O-N 2.87Å; P333-I336 VanDerWaalsContact O-N 3.08Å; P333-I336 VanDerWaalsContact O-O 3.11Å; I336-L369 HydrophobicContact CG2-CB 4.1Å; I336-L369 HydrophobicContact CG2-CD1 4.32Å; I336-L369 HydrophobicContact CG2-CD2 4.36Å; I336-L369 HydrophobicContact CG2-CG 4.5Å; I336-Q370 WeakPolarHBondContact CA-O 3.5Å; I336-R407 HydrophobicContact CD1-CB 4.17Å; I336-R407 HydrophobicContact CD1-CG 4.49Å; I336-F423 HydrophobicContact CD1-CE1 4.38Å; I336-F423 HydrophobicContact CD1-CZ 4.04Å; I336-F423 HydrophobicContact CG1-CZ 4.32Å; I336-F423 HydrophobicContact CG2-CE2 4.35Å; I336-F423 HydrophobicContact CG2-CZ 3.87Å
337Y93.1Very high76.3Confident19 Ų1971.8 Ų71.88%0.07536%0.357CS..EExtended strand (participates in β ladder)trans-145.1150.4179.364.9-80.9000111.4K264 T267 V339 Q370K264-Y337 HydrophobicContact CB-CD2 3.68Å; K264-Y337 HydrophobicContact CB-CE2 3.83Å; K264-Y337 HydrophobicContact CB-CG 4.16Å; K264-Y337 HydrophobicContact CD-CD2 4.43Å; K264-Y337 HydrophobicContact CD-CE2 3.71Å; K264-Y337 HydrophobicContact CG-CD2 4.09Å; K264-Y337 HydrophobicContact CG-CE1 4.38Å; K264-Y337 HydrophobicContact CG-CE2 3.82Å; K264-Y337 HydrophobicContact CG-CG 4.44Å; T267-Y337 HydrophobicContact CG2-CD1 3.8Å; T267-Y337 HydrophobicContact CG2-CG 4.2Å; Y337-V339 HydrophobicContact CD2-CG2 3.87Å; Y337-V339 HydrophobicContact CE2-CG2 3.48Å; Y337-V339 VanDerWaalsContact CE2-CG2 3.48Å; Y337-Q370 HydrophobicContact CE1-CB 4.12Å; Y337-Q370 HydrophobicContact CE2-CB 4.28Å; Y337-Q370 PolarHBondContact N-O 3.31Å; Y337-Q370 PolarHBondContact O-N 2.68Å; Y337-Q370 PolarHBondContact OH-OE1 2.86Å
338P91.4Very high73.6Confident16 Ų1676.2 Ų76.210%0.10438%0.379CS..EExtended strand (participates in β ladder)trans-80.3151.4175.931.3-33.8000112.6Y260 V261 K262 Q367 V368 L369Y260-P338 HydrophobicContact CE2-CG 4.47Å; V261-P338 WeakPolarHBondContact O-CD 3Å; K262-P338 WeakPolarHBondContact O-CG 3.11Å; P338-Q367 HydrophobicContact CB-CB 3.81Å; P338-Q367 HydrophobicContact CB-CG 4.49Å; P338-Q367 VanDerWaalsContact CG-OE1 3.28Å; P338-V368 CarbonylContact C-O 3.6Å; P338-L369 HydrophobicContact CB-CD2 4.06Å
339V85.4Confident70.5Confident50 Ų5083 Ų8330%0.30342%0.415SS..EExtended strand (participates in β ladder)trans-129.4134.6173.3-175.30000109.6Y337 K341 V368 Q370Y337-V339 HydrophobicContact CD2-CG2 3.87Å; Y337-V339 HydrophobicContact CE2-CG2 3.48Å; Y337-V339 VanDerWaalsContact CE2-CG2 3.48Å; V339-K341 PolarHBondContact O-N 3.22Å; V339-V368 PolarHBondContact N-O 3.27Å; V339-V368 PolarHBondContact O-N 3.17Å; V339-Q370 HydrophobicContact CB-CG 4.44Å; V339-Q370 HydrophobicContact CG2-CB 4.12Å; V339-Q370 HydrophobicContact CG2-CG 3.74Å
340I72.6Confident67.7Low132 Ų13286.7 Ų86.768%0.67745%0.454SS*.  trans-74.6120.2174.8-57.8172.2000107.8E342I340-E342 PolarHBondContact O-N 3.39Å
341K60Low64.2Low142 Ų14292.4 Ų92.462%0.61749%0.493SS*.  trans-69.9106.8162.5-93.4-179.3173.3170.20107.2V339 R343 V368V339-K341 PolarHBondContact O-N 3.22Å; K341-R343 PolarHBondContact O-N 2.93Å; K341-R343 VanDerWaalsContact O-N 3.1Å; K341-V368 HydrophobicContact CD-CG2 3.99Å; K341-V368 HydrophobicContact CG-CG2 4.15Å
342E45.9Very low61.1Low182 Ų18298.7 Ų98.785%0.8554%0.537SS*.  trans-61.1112.9162.2-71.9-173.8173.300107.3I340 P344I340-E342 PolarHBondContact O-N 3.39Å; E342-P344 WeakPolarHBondContact O-CD 3.45Å
343R43.6Very low57.9Low230 Ų230103 Ų10387%0.86857%0.573SS**PPolyproline II helixtrans-65.1121.4169.4-73.3-179.7177.9171.6-0.9106.8K341 N345K341-R343 PolarHBondContact O-N 2.93Å; K341-R343 VanDerWaalsContact O-N 3.1Å; R343-N345 PolarHBondContact O-N 2.83Å; R343-N345 VanDerWaalsContact O-N 3.13Å
344P37.1Very low54.7Low128 Ų128107.8 Ų107.883%0.83161%0.606SS**PPolyproline II helixtrans-63.4120.3173.223.5-29.1000108.8E342 N346E342-P344 WeakPolarHBondContact O-CD 3.45Å; P344-N346 PolarHBondContact O-N 3.36Å
345N36.5Very low51.5Low154 Ų154113.4 Ų113.482%0.82464%0.643SS**PPolyproline II helixtrans-66.9122.3171.4-87.1-25.2000109.7R343R343-N345 PolarHBondContact O-N 2.83Å; R343-N345 VanDerWaalsContact O-N 3.13Å
346N38.3Very low48.5Very low153 Ų153120.5 Ų120.582%0.81868%0.681SS**  trans61124.9164.4-71.7-24.3000118.7P344P344-N346 PolarHBondContact O-N 3.36Å
347V34Very low45.4Very low139 Ų139128.5 Ų128.584%0.84272%0.724SS**  -162.4129.8104.8171.90000108.7N349V347-N349 PolarHBondContact O-N 2.97Å
348K40.9Very low43.1Very low197 Ų197130.1 Ų130.186%0.85775%0.746SS**  trans-58.9121.9167.4-70.1173.9175.4177.40109.8
349N32.3Very low40.8Very low160 Ų160133.6 Ų133.686%0.85676%0.764SS**  trans-168.7131.1139.9-96-15.6000110.1V347 C351V347-N349 PolarHBondContact O-N 2.97Å; N349-C351 PolarHBondContact O-N 3.46Å
350G38.5Very low39.2Very low80 Ų80137.4 Ų137.483%0.82578%0.777SS**  trans-64.2113.5-175.300000112
351C24.5Very low38.8Very low121 Ų121131.7 Ų131.782%0.81875%0.747SS**  trans-145.5124.3153-84.60000105.7N349 A353N349-C351 PolarHBondContact O-N 3.46Å; C351-A353 VanDerWaalsContact C-N 3.34Å; C351-A353 PolarHBondContact O-N 3.06Å
352S30.9Very low39Very low133 Ų133127.3 Ų127.393%0.9373%0.73SS**  trans-61.491.2-178.2-34.40000109.5S354S352-S354 PolarHBondContact O-N 3.13Å
353A27.4Very low39.7Very low94 Ų94118.7 Ų118.778%0.77769%0.69SS**  trans-68113.6168.200000107.3C351 T355C351-A353 VanDerWaalsContact C-N 3.34Å; C351-A353 PolarHBondContact O-N 3.06Å; A353-T355 PolarHBondContact O-N 3.32Å
354S28.3Very low40.2Very low105 Ų105111.5 Ų111.573%0.73467%0.673SS**  trans-46.2125.3171.246.60000110.7S352 D356S352-S354 PolarHBondContact O-N 3.13Å; S354-D356 VanDerWaalsContact C-N 3.26Å; S354-D356 PolarHBondContact O-N 3.2Å
355T29.1Very low41.1Very low144 Ų144110.1 Ų110.188%0.88366%0.659SS**  trans-60.886.1164.741.80000109.2A353A353-T355 PolarHBondContact O-N 3.32Å
356D32.6Very low42.4Very low151 Ų151105 Ų10581%0.80764%0.642SS**  trans-95.289.7168.1-155.520.8000107.3S354 G358S354-D356 VanDerWaalsContact C-N 3.26Å; S354-D356 PolarHBondContact O-N 3.2Å; D356-G358 PolarHBondContact O-N 3.04Å
357D31.9Very low44.1Very low168 Ų168100.4 Ų100.490%0.89862%0.616SS**  trans-7956.8-171-145.415.6000110.6
358G43.2Very low46.5Very low53 Ų5395.3 Ų95.355%0.54659%0.585SS.*  trans-108.585.6-172.300000113.3D356D356-G358 PolarHBondContact O-N 3.04Å
359D43.9Very low48.9Very low89 Ų8986.2 Ų86.248%0.47655%0.545SS..  trans-149.377.9178-89-40.3000114.6I362D359-I362 HydrophobicContact CB-CB 4.19Å; D359-I362 HydrophobicContact CB-CD1 3.56Å; D359-I362 HydrophobicContact CB-CG1 3.73Å; D359-I362 WeakPolarHBondContact OD1-CD1 3.04Å; D359-I362 WeakPolarHBondContact OD1-CG1 3.49Å; D359-I362 WeakPolarHBondContact OD2-CD1 3.33Å
360F52.5Low51.7Low131 Ų13181.9 Ų81.958%0.57552%0.52SS*.SBendtrans-95.63.9164.4-75.2-72.9000114.4A419F360-A419 HydrophobicContact CB-CB 3.86Å; F360-A419 HydrophobicContact CD2-CB 4.37Å
361N62.4Low54.4Low12 Ų1279.1 Ų79.16%0.06449%0.486CS..SBendtrans-109.320171.3-51.6-55.3000112.3L369 Y410 A419 F423N361-L369 PolarHBondContact O-N 2.82Å; N361-Y410 PolarHBondContact OD1-OH 3.08Å; N361-A419 PolarHBondContact ND2-O 2.84Å; N361-F423 HydrophobicContact CB-CD2 4.24Å; N361-F423 WeakPolarHBondContact ND2-CB 3.35Å
362I65.3Low57.7Low49 Ų4975.2 Ų75.225%0.25146%0.46SS..BIsolated β-bridgetrans-95.1129.5170.5-71.6-164.7000108.5D359 G366 Q367 V368D359-I362 HydrophobicContact CB-CB 4.19Å; D359-I362 HydrophobicContact CB-CD1 3.56Å; D359-I362 HydrophobicContact CB-CG1 3.73Å; D359-I362 WeakPolarHBondContact OD1-CD1 3.04Å; D359-I362 WeakPolarHBondContact OD1-CG1 3.49Å; D359-I362 WeakPolarHBondContact OD2-CD1 3.33Å; I362-G366 VanDerWaalsContact CG2-CA 3.43Å; I362-Q367 CarbonylContact C-O 3.52Å; I362-Q367 VanDerWaalsContact CA-O 3.24Å; I362-Q367 WeakPolarHBondContact CA-O 2.92Å; I362-V368 HydrophobicContact CD1-CG2 4.35Å; I362-V368 HydrophobicContact CG1-CG2 4.1Å
363T59.7Low60.7Low2 Ų273.2 Ų73.21%0.01244%0.444CS..  trans-66.2157.8170.361.30000109.6Y260 D365 G366 Q367 L369Y260-T363 HydrophobicContact CE1-CG2 4.26Å; Y260-T363 HydrophobicContact CE2-CG2 4.4Å; T363-D365 WeakPolarHBondContact CB-OD1 3.33Å; T363-D365 PolarHBondContact O-N 3.08Å; T363-D365 VanDerWaalsContact OG1-CG 3.31Å; T363-D365 PolarHBondContact OG1-OD1 3.04Å; T363-G366 PolarHBondContact O-N 2.96Å; T363-Q367 HydrophobicContact CG2-CB 4.31Å; T363-Q367 PolarHBondContact N-O 3.39Å; T363-Q367 WeakPolarHBondContact OG1-CA 3.26Å; T363-Q367 VanDerWaalsContact OG1-CB 3.23Å; T363-Q367 WeakPolarHBondContact OG1-CB 3.48Å; T363-Q367 PolarHBondContact OG1-N 3.2Å; T363-Q367 PolarHBondContact OG1-O 3.3Å; T363-L369 HydrophobicContact CG2-CD1 4.42Å; T363-L369 HydrophobicContact CG2-CD2 3.64Å; T363-L369 HydrophobicContact CG2-CG 3.96Å
364P54.9Low63.7Low79 Ų7970.4 Ų70.451%0.51342%0.417SS..THydrogen-bonded Turntrans-53.3-22.3179.5-25.933000115K203K203-P364 HydrophobicContact CB-CG 4.23Å; K203-P364 HydrophobicContact CD-CG 4.48Å; K203-P364 HydrophobicContact CG-CB 4.45Å; K203-P364 HydrophobicContact CG-CG 3.79Å
365D55.2Low66.7Low99 Ų9969.9 Ų69.953%0.52941%0.411SS..THydrogen-bonded Turntrans-93.49.6176.559.6-49.8000114.3T363 Q367T363-D365 WeakPolarHBondContact CB-OD1 3.33Å; T363-D365 PolarHBondContact O-N 3.08Å; T363-D365 VanDerWaalsContact OG1-CG 3.31Å; T363-D365 PolarHBondContact OG1-OD1 3.04Å; D365-Q367 VanDerWaalsContact OD2-CG 3.3Å; D365-Q367 WeakPolarHBondContact OD2-CG 3.31Å; D365-Q367 PolarHBondContact OD2-NE2 2.89Å
366G64.8Low69.7Low45 Ų4569.7 Ų69.746%0.46441%0.405SS..SBendtrans89.48.2171.900000115.7I362 T363I362-G366 VanDerWaalsContact CG2-CA 3.43Å; T363-G366 PolarHBondContact O-N 2.96Å
367Q73.6Confident72.7Confident58 Ų5862.8 Ų62.827%0.27137%0.368SS..PPolyproline II helixtrans-88.6139.6-177.4-51.3178.1-11.200111.5P338 I362 T363 D365P338-Q367 HydrophobicContact CB-CB 3.81Å; P338-Q367 HydrophobicContact CB-CG 4.49Å; P338-Q367 VanDerWaalsContact CG-OE1 3.28Å; I362-Q367 CarbonylContact C-O 3.52Å; I362-Q367 VanDerWaalsContact CA-O 3.24Å; I362-Q367 WeakPolarHBondContact CA-O 2.92Å; T363-Q367 HydrophobicContact CG2-CB 4.31Å; T363-Q367 PolarHBondContact N-O 3.39Å; T363-Q367 WeakPolarHBondContact OG1-CA 3.26Å; T363-Q367 VanDerWaalsContact OG1-CB 3.23Å; T363-Q367 WeakPolarHBondContact OG1-CB 3.48Å; T363-Q367 PolarHBondContact OG1-N 3.2Å; T363-Q367 PolarHBondContact OG1-O 3.3Å; D365-Q367 VanDerWaalsContact OD2-CG 3.3Å; D365-Q367 WeakPolarHBondContact OD2-CG 3.31Å; D365-Q367 PolarHBondContact OD2-NE2 2.89Å
368V85.4Confident75.8Confident32 Ų3257.2 Ų57.219%0.19434%0.337CS..EExtended strand (participates in β ladder)trans-87.2127.2177.6-179.80000109.2P338 V339 K341 I362P338-V368 CarbonylContact C-O 3.6Å; V339-V368 PolarHBondContact N-O 3.27Å; V339-V368 PolarHBondContact O-N 3.17Å; K341-V368 HydrophobicContact CD-CG2 3.99Å; K341-V368 HydrophobicContact CG-CG2 4.15Å; I362-V368 HydrophobicContact CD1-CG2 4.35Å; I362-V368 HydrophobicContact CG1-CG2 4.1Å
369L90.5Very high78.3Confident5 Ų554.9 Ų54.93%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-77.2139.9174.6-62.9178.5000111.3Y260 I336 P338 N361 T363 F423Y260-L369 HydrophobicContact CD1-CD1 3.97Å; Y260-L369 HydrophobicContact CD1-CD2 4.02Å; Y260-L369 HydrophobicContact CD2-CD2 3.84Å; Y260-L369 HydrophobicContact CE1-CD1 4.23Å; Y260-L369 HydrophobicContact CE1-CD2 4.17Å; Y260-L369 HydrophobicContact CE2-CD2 4.06Å; Y260-L369 HydrophobicContact CG-CD1 4.48Å; Y260-L369 HydrophobicContact CG-CD2 3.87Å; I336-L369 HydrophobicContact CG2-CB 4.1Å; I336-L369 HydrophobicContact CG2-CD1 4.32Å; I336-L369 HydrophobicContact CG2-CD2 4.36Å; I336-L369 HydrophobicContact CG2-CG 4.5Å; P338-L369 HydrophobicContact CB-CD2 4.06Å; N361-L369 PolarHBondContact O-N 2.82Å; T363-L369 HydrophobicContact CG2-CD1 4.42Å; T363-L369 HydrophobicContact CG2-CD2 3.64Å; T363-L369 HydrophobicContact CG2-CG 3.96Å; L369-F423 HydrophobicContact CB-CE2 3.73Å; L369-F423 HydrophobicContact CB-CZ 4.4Å
370Q92Very high80.9Confident69 Ų6950.6 Ų50.632%0.32229%0.289SS..EExtended strand (participates in β ladder)trans-124.7157172.8-71.6-165.3-11.800111.4I336 Y337 V339I336-Q370 WeakPolarHBondContact CA-O 3.5Å; Y337-Q370 HydrophobicContact CE1-CB 4.12Å; Y337-Q370 HydrophobicContact CE2-CB 4.28Å; Y337-Q370 PolarHBondContact N-O 3.31Å; Y337-Q370 PolarHBondContact O-N 2.68Å; Y337-Q370 PolarHBondContact OH-OE1 2.86Å; V339-Q370 HydrophobicContact CB-CG 4.44Å; V339-Q370 HydrophobicContact CG2-CB 4.12Å; V339-Q370 HydrophobicContact CG2-CG 3.74Å
371I94.6Very high83.1Confident22 Ų2244.4 Ų44.411%0.11326%0.262CS..EExtended strand (participates in β ladder)trans-107.4129.9179.6-51.4173000109.8L331 A335 F423 F424 L427L331-I371 HydrophobicContact CD1-CG2 3.57Å; L331-I371 HydrophobicContact CD2-CD1 3.71Å; L331-I371 HydrophobicContact CD2-CG1 4Å; L331-I371 HydrophobicContact CD2-CG2 4.1Å; L331-I371 HydrophobicContact CG-CG2 4.43Å; A335-I371 CarbonylContact O-C 3.55Å; A335-I371 WeakPolarHBondContact O-CA 3.42Å; I371-F423 HydrophobicContact CD1-CD1 4.09Å; I371-F423 HydrophobicContact CD1-CD2 4.28Å; I371-F423 HydrophobicContact CD1-CE1 3.9Å; I371-F423 HydrophobicContact CD1-CE2 4.1Å; I371-F423 HydrophobicContact CD1-CG 4.25Å; I371-F423 HydrophobicContact CD1-CZ 3.89Å; I371-F423 WeakPolarHBondContact CD1-O 2.82Å; I371-F423 HydrophobicContact CG1-CD2 4.25Å; I371-F423 HydrophobicContact CG1-CE1 4.15Å; I371-F423 HydrophobicContact CG1-CE2 3.68Å; I371-F423 HydrophobicContact CG1-CZ 3.61Å; I371-F424 HydrophobicContact CD1-CD2 4.1Å; I371-F424 HydrophobicContact CD1-CE2 4.27Å; I371-F424 HydrophobicContact CD1-CG 4.23Å; I371-L427 HydrophobicContact CB-CD2 4.26Å; I371-L427 HydrophobicContact CB-CG 4.43Å; I371-L427 HydrophobicContact CD1-CD1 3.81Å; I371-L427 HydrophobicContact CD1-CG 4.3Å; I371-L427 HydrophobicContact CG2-CD1 4.1Å; I371-L427 HydrophobicContact CG2-CD2 3.83Å; I371-L427 HydrophobicContact CG2-CG 4.28Å
372S94.3Very high84.8Confident39 Ų3943.8 Ų43.827%0.27326%0.259SS..PPolyproline II helixtrans-90.3123.2162.9-170.90000108.6A335 V374A335-S372 PolarHBondContact O-N 2.8Å; S372-V374 PolarHBondContact O-N 2.95Å
373P92.5Very high86.4Confident91 Ų9141.5 Ų41.559%0.59125%0.247SC*.PPolyproline II helixtrans-54.1138.2178.4-2633.8000112.3L427P373-L427 HydrophobicContact CB-CD2 4.33Å; P373-L427 HydrophobicContact CG-CD2 4.05Å
374V91.4Very high88.1Confident35 Ų3541.4 Ų41.421%0.21225%0.246CC..PPolyproline II helixtrans-101.5122.8176.2-179.90000108.5P332 A335 S372 T377P332-V374 HydrophobicContact CG-CG2 4.12Å; A335-V374 HydrophobicContact CB-CG2 3.44Å; A335-V374 VanDerWaalsContact CB-CG2 3.44Å; S372-V374 PolarHBondContact O-N 2.95Å; V374-T377 VanDerWaalsContact CB-OG1 3.31Å; V374-T377 WeakPolarHBondContact CB-OG1 3.44Å; V374-T377 HydrophobicContact CG1-CG2 3.83Å; V374-T377 PolarHBondContact O-OG1 3.37Å
375P91.1Very high89.9Confident94 Ų9439.2 Ų39.261%0.6123%0.23SC*.THydrogen-bonded Turntrans-63141.3-176.8-24.433.8000113.4R327 T377R327-P375 PolarHBondContact NH2-O 3.09Å; P375-T377 VanDerWaalsContact C-N 3.3Å; P375-T377 PolarHBondContact O-N 3.03Å
376N92.1Very high91.4Very high140 Ų14034.8 Ų34.875%0.74921%0.207SC*.THydrogen-bonded Turntrans56.142176.3-49-46.9000112.8R327R327-N376 PolarHBondContact NH1-O 3.34Å
377T95.1Very high92.1Very high7 Ų739.4 Ų39.44%0.04321%0.214CC..  trans-143.3156.6175.1610000109.6R327 D328 V374 P375R327-T377 HydrophobicContact CG-CG2 4.09Å; R327-T377 WeakPolarHBondContact O-CG2 3.15Å; D328-T377 WeakPolarHBondContact OD1-CA 3.35Å; V374-T377 VanDerWaalsContact CB-OG1 3.31Å; V374-T377 WeakPolarHBondContact CB-OG1 3.44Å; V374-T377 HydrophobicContact CG1-CG2 3.83Å; V374-T377 PolarHBondContact O-OG1 3.37Å; P375-T377 VanDerWaalsContact C-N 3.3Å; P375-T377 PolarHBondContact O-N 3.03Å
378H96.9Very high92.5Very high50 Ų5037.4 Ų37.423%0.23121%0.207CC..  trans-126.977.7177-49.974.2000109D328 L380 D429 R431D328-H378 CarbonylContact O-C 3.58Å; D328-H378 PolarHBondContact O-N 3.25Å; D328-H378 IonicContact OD1-CE1 3.6Å; D328-H378 IonicContact OD1-CG 2.7Å; D328-H378 PolarHBondContact OD1-N 3.35Å; D328-H378 VanDerWaalsContact OD1-N 3.08Å; D328-H378 IonicContact OD1-ND1 3.44Å; D328-H378 PolarHBondContact OD1-ND1 3.23Å; D328-H378 IonicContact OD2-ND1 3.52Å; H378-L380 PolarHBondContact O-N 2.82Å; H378-D429 VanDerWaalsContact CD2-CG 3.4Å; H378-D429 IonicContact CD2-OD1 3.13Å; H378-D429 PolarHBondContact CD2-OD1 2.85Å; H378-D429 IonicContact CD2-OD2 2.77Å; H378-D429 PolarHBondContact CD2-OD2 3.45Å; H378-D429 VanDerWaalsContact CD2-OD2 3.29Å; H378-D429 IonicContact CG-OD1 3.37Å; H378-D429 IonicContact NE2-OD1 3.4Å; H378-D429 IonicContact NE2-OD2 3.39Å; H378-D429 PolarHBondContact NE2-OD2 3.37Å; H378-R431 HydrophobicContact CB-CG 4.12Å; H378-R431 PolarHBondContact CD2-NH2 3.5Å; H378-R431 PolarHBondContact CE1-NH2 3.09Å; H378-R431 PolarHBondContact ND1-NH2 2.94Å; H378-R431 PolarHBondContact NE2-NH2 3.34Å
379P97.1Very high91.9Very high4 Ų436.7 Ų36.73%0.02621%0.206CC..PPolyproline II helixtrans-48.6132.4-175.2-29.436.4000112.1L331 F424 Y430 R431L331-P379 HydrophobicContact CB-CB 4.22Å; L331-P379 HydrophobicContact CD1-CB 4.33Å; L331-P379 HydrophobicContact CD1-CG 4.16Å; P379-F424 HydrophobicContact CB-CE1 4.06Å; P379-Y430 VanDerWaalsContact O-CB 3.3Å; P379-Y430 WeakPolarHBondContact O-CB 2.93Å; P379-R431 PolarHBondContact O-N 2.8Å
380L98.4Very high90.8Very high0 Ų038.5 Ų38.50%023%0.225CC..EExtended strand (participates in β ladder)trans-91.3119.2-175.5-171.766.9000110.3H329 H378 V382 L404 Q408 R431 L433 L489 I492H329-L380 HydrophobicContact CB-CB 3.96Å; H329-L380 PolarHBondContact O-N 3.15Å; H378-L380 PolarHBondContact O-N 2.82Å; L380-V382 HydrophobicContact CD2-CG2 3.84Å; L380-V382 HydrophobicContact CG-CG2 3.85Å; L380-L404 HydrophobicContact CB-CD1 4.46Å; L380-L404 HydrophobicContact CD2-CD1 4.24Å; L380-Q408 WeakPolarHBondContact O-CB 3.48Å; L380-Q408 PolarHBondContact O-NE2 2.62Å; L380-R431 HydrophobicContact CD1-CB 3.82Å; L380-L433 HydrophobicContact CD1-CB 3.98Å; L380-L433 HydrophobicContact CD2-CB 4.1Å; L380-L433 HydrophobicContact CD2-CD2 4.19Å; L380-L433 HydrophobicContact CG-CB 4.19Å; L380-L489 HydrophobicContact CD2-CD2 3.42Å; L380-L489 VanDerWaalsContact CD2-CD2 3.42Å; L380-I492 HydrophobicContact CD1-CG2 4.41Å; L380-I492 HydrophobicContact CD2-CD1 4.1Å
381L98.1Very high89.5Confident0 Ų039.1 Ų39.10%023%0.227CC..EExtended strand (participates in β ladder)trans-89.5117.6169172.858.4000109.2F383 Y410 L421 F424 Y430 R431 I432 L433L381-F383 HydrophobicContact CD1-CE2 4.41Å; L381-F383 HydrophobicContact CD1-CZ 4.14Å; L381-F383 HydrophobicContact CD2-CE2 3.7Å; L381-F383 HydrophobicContact CD2-CZ 3.71Å; L381-F383 HydrophobicContact CG-CD2 4.43Å; L381-F383 HydrophobicContact CG-CE2 3.76Å; L381-F383 HydrophobicContact CG-CZ 3.93Å; L381-Y410 HydrophobicContact CD1-CD2 3.5Å; L381-Y410 VanDerWaalsContact CD1-CD2 3.5Å; L381-Y410 HydrophobicContact CD1-CE2 3.52Å; L381-L421 HydrophobicContact CD2-CD2 4.24Å; L381-F424 HydrophobicContact CB-CD1 4.06Å; L381-F424 HydrophobicContact CB-CD2 4.35Å; L381-F424 HydrophobicContact CB-CE1 3.94Å; L381-F424 HydrophobicContact CB-CE2 4.25Å; L381-F424 HydrophobicContact CB-CG 4.28Å; L381-F424 HydrophobicContact CB-CZ 4.04Å; L381-F424 HydrophobicContact CD1-CD2 3.95Å; L381-F424 HydrophobicContact CD1-CE2 3.84Å; L381-F424 HydrophobicContact CD1-CZ 4.38Å; L381-F424 HydrophobicContact CD2-CB 4.21Å; L381-F424 HydrophobicContact CD2-CD2 4.14Å; L381-F424 HydrophobicContact CD2-CG 4.07Å; L381-F424 HydrophobicContact CG-CD2 4.38Å; L381-F424 HydrophobicContact CG-CE2 4.49Å; L381-Y430 HydrophobicContact CD2-CE2 4.39Å; L381-R431 PolarHBondContact N-O 3.12Å; L381-I432 HydrophobicContact CB-CG1 4.27Å; L381-I432 HydrophobicContact CD2-CD1 4.36Å; L381-I432 HydrophobicContact CD2-CG1 4.26Å; L381-I432 CarbonylContact O-C 3.13Å; L381-I432 VanDerWaalsContact O-CA 3.29Å; L381-I432 WeakPolarHBondContact O-CA 3.16Å; L381-L433 PolarHBondContact O-N 3.21Å
382V98.5Very high88.8Confident0 Ų039.7 Ų39.70%023%0.229CC..EExtended strand (participates in β ladder)trans-110.2121.6-173.8-173.60000110.4L380 V384 F400 L404 Q408 V409 Y410 L433L380-V382 HydrophobicContact CD2-CG2 3.84Å; L380-V382 HydrophobicContact CG-CG2 3.85Å; V382-V384 HydrophobicContact CG1-CG2 3.82Å; V382-F400 HydrophobicContact CG1-CD2 3.82Å; V382-F400 HydrophobicContact CG1-CE2 4.17Å; V382-F400 HydrophobicContact CG1-CG 4.17Å; V382-L404 HydrophobicContact CG2-CD1 3.58Å; V382-Q408 PolarHBondContact N-O 2.91Å; V382-V409 HydrophobicContact CB-CG1 4.31Å; V382-V409 HydrophobicContact CB-CG2 4.39Å; V382-V409 HydrophobicContact CG1-CG1 4.37Å; V382-V409 CarbonylContact O-C 3.55Å; V382-V409 WeakPolarHBondContact O-CA 3.27Å; V382-Y410 PolarHBondContact O-N 3.39Å; V382-L433 WeakPolarHBondContact CA-O 3.18Å; V382-L433 HydrophobicContact CG1-CB 4.46Å; V382-L433 HydrophobicContact CG1-CD2 4.24Å; V382-L433 HydrophobicContact CG1-CG 4.43Å; V382-L433 HydrophobicContact CG2-CB 4.3Å; V382-L433 HydrophobicContact CG2-CD2 4.44Å
383F98.3Very high88.5Confident0 Ų037.9 Ų37.90%022%0.216CC..EExtended strand (participates in β ladder)trans-104.2129.7169.5-66.4-70.2000109.9L381 Y410 L412 P417 L421 I432 L433 C435 I444L381-F383 HydrophobicContact CD1-CE2 4.41Å; L381-F383 HydrophobicContact CD1-CZ 4.14Å; L381-F383 HydrophobicContact CD2-CE2 3.7Å; L381-F383 HydrophobicContact CD2-CZ 3.71Å; L381-F383 HydrophobicContact CG-CD2 4.43Å; L381-F383 HydrophobicContact CG-CE2 3.76Å; L381-F383 HydrophobicContact CG-CZ 3.93Å; F383-Y410 HydrophobicContact CD1-CG 4.44Å; F383-Y410 HydrophobicContact CE1-CD2 4.39Å; F383-Y410 HydrophobicContact CE1-CG 4.17Å; F383-L412 HydrophobicContact CB-CD1 4.05Å; F383-L412 HydrophobicContact CB-CD2 4.01Å; F383-L412 HydrophobicContact CB-CG 4.06Å; F383-L412 HydrophobicContact CD1-CD2 3.66Å; F383-L412 HydrophobicContact CD1-CG 4.47Å; F383-L412 HydrophobicContact CG-CD2 4.12Å; F383-P417 HydrophobicContact CD1-CB 4.2Å; F383-P417 HydrophobicContact CE1-CB 3.81Å; F383-P417 WeakPolarHBondContact CE1-O 3.22Å; F383-P417 HydrophobicContact CZ-CB 4.05Å; F383-L421 HydrophobicContact CE2-CD2 4.09Å; F383-L421 HydrophobicContact CZ-CD2 4.05Å; F383-L421 HydrophobicContact CZ-CG 4.05Å; F383-I432 HydrophobicContact CD2-CG2 3.81Å; F383-I432 HydrophobicContact CE2-CG2 4.03Å; F383-L433 PolarHBondContact N-O 3.02Å; F383-C435 PolarHBondContact O-N 2.8Å; F383-I444 HydrophobicContact CB-CD1 4.06Å; F383-I444 HydrophobicContact CD1-CD1 4.27Å; F383-I444 HydrophobicContact CD2-CD1 3.89Å; F383-I444 HydrophobicContact CD2-CG1 4.4Å; F383-I444 HydrophobicContact CD2-CG2 4.18Å; F383-I444 HydrophobicContact CE2-CD1 4.4Å; F383-I444 HydrophobicContact CE2-CG2 4.36Å; F383-I444 HydrophobicContact CG-CD1 3.81Å
384V96.4Very high88Confident0 Ų036.4 Ų36.40%020%0.202CC..EExtended strand (participates in β ladder)trans-124.7125.9179.6-171.40000110V382 P386 G393 V396 L397 V409 Y410 L412 C435V382-V384 HydrophobicContact CG1-CG2 3.82Å; V384-P386 VanDerWaalsContact O-CD 3.3Å; V384-P386 WeakPolarHBondContact O-CD 3.44Å; V384-G393 WeakPolarHBondContact CG1-O 3.4Å; V384-V396 HydrophobicContact CG1-CG1 4.28Å; V384-V396 HydrophobicContact CG2-CG1 4.41Å; V384-L397 HydrophobicContact CB-CB 4.25Å; V384-L397 HydrophobicContact CB-CD1 4.08Å; V384-L397 HydrophobicContact CG1-CB 3.99Å; V384-L397 HydrophobicContact CG2-CB 4.42Å; V384-L397 HydrophobicContact CG2-CD1 4.14Å; V384-V409 HydrophobicContact CG2-CG1 4.28Å; V384-Y410 PolarHBondContact N-O 2.77Å; V384-L412 PolarHBondContact O-N 2.83Å; V384-C435 HydrophobicContact CB-CB 4.27Å; V384-C435 HydrophobicContact CG1-CB 4.04Å; V384-C435 HydrophobicContact CG2-CB 4.05Å
385N92.8Very high87.7Confident34 Ų3444 Ų4418%0.18223%0.226CC..  trans-89104.9165.7-178.6-15000109K387 S388 L412 C435 T440N385-K387 VanDerWaalsContact C-N 3.26Å; N385-K387 PolarHBondContact O-N 2.97Å; N385-K387 PolarHBondContact OD1-N 2.99Å; N385-S388 PolarHBondContact ND2-OG 3.13Å; N385-S388 WeakPolarHBondContact O-CB 3.47Å; N385-S388 PolarHBondContact O-N 3.42Å; N385-S388 VanDerWaalsContact O-N 3.16Å; N385-L412 HydrophobicContact CB-CD1 4.28Å; N385-C435 PolarHBondContact N-O 2.79Å; N385-T440 HydrophobicContact CB-CG2 3.94Å; N385-T440 PolarHBondContact ND2-OG1 3.44Å
386P85.1Confident87.8Confident5 Ų539.5 Ų39.53%0.03220%0.197CC..THydrogen-bonded Turntrans-67.5-26.1-173.3-11.925.1000114V384 S388 E394 N411 S413V384-P386 VanDerWaalsContact O-CD 3.3Å; V384-P386 WeakPolarHBondContact O-CD 3.44Å; P386-S388 PolarHBondContact O-N 3.08Å; P386-E394 HydrophobicContact CB-CG 3.71Å; P386-E394 WeakPolarHBondContact CB-OE1 3.32Å; P386-N411 VanDerWaalsContact CD-OD1 3.26Å; P386-N411 WeakPolarHBondContact CD-OD1 3.12Å; P386-N411 VanDerWaalsContact CG-CG 3.42Å; P386-N411 WeakPolarHBondContact CG-ND2 3.28Å; P386-N411 WeakPolarHBondContact CG-OD1 3.29Å; P386-S413 WeakPolarHBondContact CD-OG 3.4Å
387K80.4Confident87.8Confident143 Ų14333.2 Ų33.262%0.62216%0.164SC*.THydrogen-bonded Turntrans-73.3-16.4178.5-61.3-170.8178.6-168.50112.4N385N385-K387 VanDerWaalsContact C-N 3.26Å; N385-K387 PolarHBondContact O-N 2.97Å; N385-K387 PolarHBondContact OD1-N 2.99Å
388S81.9Confident87.5Confident16 Ų1633.3 Ų33.311%0.11217%0.165CC..THydrogen-bonded Turntrans-71.8149.6-178.4-70.50000113.4N385 P386 G390 Q392 G393N385-S388 PolarHBondContact ND2-OG 3.13Å; N385-S388 WeakPolarHBondContact O-CB 3.47Å; N385-S388 PolarHBondContact O-N 3.42Å; N385-S388 VanDerWaalsContact O-N 3.16Å; P386-S388 PolarHBondContact O-N 3.08Å; S388-G390 PolarHBondContact O-N 3.11Å; S388-Q392 PolarHBondContact O-N 3.44Å; S388-G393 PolarHBondContact O-N 3.27Å; S388-G393 VanDerWaalsContact O-N 3.15Å
389G72.6Confident87.3Confident17 Ų1734.8 Ų34.818%0.17517%0.17CC..THydrogen-bonded Turntrans70.124.2171.900000115.7Q392 L464G389-Q392 WeakPolarHBondContact O-CB 3.45Å; G389-Q392 WeakPolarHBondContact O-CG 3.41Å; G389-Q392 PolarHBondContact O-NE2 3.44Å; G389-L464 WeakPolarHBondContact CA-O 3.37Å; G389-L464 PolarHBondContact N-O 3.49Å
390G67.3Low87.3Confident42 Ų4234.6 Ų34.643%0.43317%0.169SC..THydrogen-bonded Turntrans67.449.9-175.700000111.7S388 Q392S388-G390 PolarHBondContact O-N 3.11Å; G390-Q392 PolarHBondContact O-N 3.39Å
391K65.3Low87.1Confident82 Ų8236 Ų3636%0.35718%0.176SC..THydrogen-bonded Turntrans67.211.7-174.7-43.6-175.7-162.9-167.50115.9E25 G393 E394E25-K391 WeakPolarHBondContact OE1-CE 3.48Å; E25-K391 IonicContact OE1-NZ 2.77Å; E25-K391 PolarHBondContact OE1-NZ 3.31Å; E25-K391 WeakPolarHBondContact OE2-CE 3.29Å; E25-K391 IonicContact OE2-NZ 3.72Å; E25-K391 PolarHBondContact OE2-NZ 2.82Å; K391-G393 PolarHBondContact O-N 3.25Å; K391-E394 PolarHBondContact O-N 3.4Å
392Q79.4Confident86.9Confident35 Ų3538 Ų3816%0.16418%0.184CC..Hα-helixtrans-61.4-30.5168.4-74.8-17678.200111.5S388 G389 G390 E394 R395 V396 L464 Y480S388-Q392 PolarHBondContact O-N 3.44Å; G389-Q392 WeakPolarHBondContact O-CB 3.45Å; G389-Q392 WeakPolarHBondContact O-CG 3.41Å; G389-Q392 PolarHBondContact O-NE2 3.44Å; G390-Q392 PolarHBondContact O-N 3.39Å; Q392-E394 PolarHBondContact O-N 3.13Å; Q392-R395 WeakPolarHBondContact O-CB 3.46Å; Q392-R395 PolarHBondContact O-N 3.42Å; Q392-R395 VanDerWaalsContact O-N 3.12Å; Q392-V396 WeakPolarHBondContact O-CG2 3.41Å; Q392-V396 PolarHBondContact O-N 3.28Å; Q392-L464 HydrophobicContact CB-CD2 4.38Å; Q392-Y480 PolarHBondContact OE1-O 2.87Å
393G87.6Confident86.8Confident0 Ų038.7 Ų38.70%019%0.187CC..Hα-helixtrans-55-44.5175.700000113.8V384 S388 K391 R395 V396 L397V384-G393 WeakPolarHBondContact CG1-O 3.4Å; S388-G393 PolarHBondContact O-N 3.27Å; S388-G393 VanDerWaalsContact O-N 3.15Å; K391-G393 PolarHBondContact O-N 3.25Å; G393-R395 VanDerWaalsContact C-N 3.32Å; G393-R395 PolarHBondContact O-N 3.4Å; G393-V396 PolarHBondContact O-N 3.24Å; G393-L397 WeakPolarHBondContact O-CB 3.38Å; G393-L397 PolarHBondContact O-N 3.08Å
394E83.4Confident86.7Confident61 Ų6138.8 Ų38.829%0.28519%0.188SC..Hα-helixtrans-60.5-38.6175.7-84.3-63.3152.100113.1R210 P386 K391 Q392 S398R210-E394 IonicContact NH1-OE2 3.41Å; P386-E394 HydrophobicContact CB-CG 3.71Å; P386-E394 WeakPolarHBondContact CB-OE1 3.32Å; K391-E394 PolarHBondContact O-N 3.4Å; Q392-E394 PolarHBondContact O-N 3.13Å; E394-S398 PolarHBondContact O-N 3.1Å; E394-S398 PolarHBondContact O-OG 3.42Å; E394-S398 VanDerWaalsContact O-OG 3.09Å
395R84.1Confident86.7Confident193 Ų19338.8 Ų38.873%0.72819%0.188SC*.Hα-helixtrans-68.7-42.9176.5-64.4-179.1179.1172.60.6111Q392 G393 K399Q392-R395 WeakPolarHBondContact O-CB 3.46Å; Q392-R395 PolarHBondContact O-N 3.42Å; Q392-R395 VanDerWaalsContact O-N 3.12Å; G393-R395 VanDerWaalsContact C-N 3.32Å; G393-R395 PolarHBondContact O-N 3.4Å; R395-K399 WeakPolarHBondContact O-CB 3.15Å; R395-K399 PolarHBondContact O-N 2.94Å
396V93.6Very high86.6Confident1 Ų137.7 Ų37.71%0.00618%0.182CC..Hα-helixtrans-62.4-48.1177167.70000111V384 Q392 G393 S398 K399 F400 C435 L462 L464 Y480 L485V384-V396 HydrophobicContact CG1-CG1 4.28Å; V384-V396 HydrophobicContact CG2-CG1 4.41Å; Q392-V396 WeakPolarHBondContact O-CG2 3.41Å; Q392-V396 PolarHBondContact O-N 3.28Å; G393-V396 PolarHBondContact O-N 3.24Å; V396-S398 VanDerWaalsContact C-N 3.32Å; V396-S398 PolarHBondContact O-N 3.46Å; V396-K399 PolarHBondContact O-N 3.22Å; V396-K399 VanDerWaalsContact O-N 3.09Å; V396-F400 HydrophobicContact CG1-CD2 3.52Å; V396-F400 HydrophobicContact CG1-CE2 3.47Å; V396-F400 VanDerWaalsContact CG1-CE2 3.47Å; V396-F400 WeakPolarHBondContact O-CD2 3.33Å; V396-F400 PolarHBondContact O-N 2.92Å; V396-C435 HydrophobicContact CG1-CB 4.13Å; V396-L462 HydrophobicContact CG1-CD2 3.71Å; V396-L462 HydrophobicContact CG2-CD2 4.05Å; V396-L464 HydrophobicContact CG2-CD2 4.28Å; V396-Y480 HydrophobicContact CG2-CD1 4.12Å; V396-Y480 HydrophobicContact CG2-CE1 3.64Å; V396-L485 HydrophobicContact CG1-CD1 4.35Å
397L91.8Very high87Confident8 Ų838.7 Ų38.74%0.04219%0.185CC..Hα-helixtrans-51-53.1176.8176.767000110.9V384 G393 K399 F400 Q401 V409 N411V384-L397 HydrophobicContact CB-CB 4.25Å; V384-L397 HydrophobicContact CB-CD1 4.08Å; V384-L397 HydrophobicContact CG1-CB 3.99Å; V384-L397 HydrophobicContact CG2-CB 4.42Å; V384-L397 HydrophobicContact CG2-CD1 4.14Å; G393-L397 WeakPolarHBondContact O-CB 3.38Å; G393-L397 PolarHBondContact O-N 3.08Å; L397-K399 VanDerWaalsContact C-N 3.3Å; L397-K399 PolarHBondContact O-N 3.47Å; L397-F400 PolarHBondContact O-N 3.4Å; L397-Q401 WeakPolarHBondContact O-CG 3.21Å; L397-Q401 PolarHBondContact O-N 2.84Å; L397-V409 HydrophobicContact CD1-CG1 3.69Å; L397-N411 HydrophobicContact CD1-CB 4.35Å; L397-N411 HydrophobicContact CD2-CB 4.12Å
398S89Confident87.6Confident9 Ų931.9 Ų31.96%0.06316%0.156CC..Hα-helixtrans-69.2-28.2-177.9-61.70000113.6R210 T238 E394 V396 Y402R210-S398 PolarHBondContact NH1-OG 3.3Å; R210-S398 PolarHBondContact NH2-OG 2.97Å; T238-S398 WeakPolarHBondContact CG2-O 3.13Å; E394-S398 PolarHBondContact O-N 3.1Å; E394-S398 PolarHBondContact O-OG 3.42Å; E394-S398 VanDerWaalsContact O-OG 3.09Å; V396-S398 VanDerWaalsContact C-N 3.32Å; V396-S398 PolarHBondContact O-N 3.46Å; S398-Y402 PolarHBondContact O-N 3.28Å
399K93.6Very high88.3Confident80 Ų8031.6 Ų31.635%0.34815%0.153SC..Hα-helixtrans-74.9-39.8175.8-174.166.5177.4-176.40110.7R395 V396 L397 Y402 L403 L485R395-K399 WeakPolarHBondContact O-CB 3.15Å; R395-K399 PolarHBondContact O-N 2.94Å; V396-K399 PolarHBondContact O-N 3.22Å; V396-K399 VanDerWaalsContact O-N 3.09Å; L397-K399 VanDerWaalsContact C-N 3.3Å; L397-K399 PolarHBondContact O-N 3.47Å; K399-Y402 WeakPolarHBondContact O-CB 3.47Å; K399-Y402 PolarHBondContact O-N 2.96Å; K399-L403 HydrophobicContact CG-CD1 4.06Å; K399-L403 HydrophobicContact CG-CG 4.45Å; K399-L403 WeakPolarHBondContact O-CG 3.5Å; K399-L403 PolarHBondContact O-N 3.06Å; K399-L485 HydrophobicContact CB-CD1 3.67Å; K399-L485 HydrophobicContact CG-CB 4.47Å; K399-L485 HydrophobicContact CG-CD1 3.49Å; K399-L485 VanDerWaalsContact CG-CD1 3.49Å; K399-L485 HydrophobicContact CG-CG 4.2Å
400F96.7Very high89.2Confident0 Ų032 Ų320%015%0.15CC..Hα-helixtrans-68.5-37.4173.8-78.4-57000112.7V382 V396 L397 Y402 L403 L404 V409 L433 L462 L485 L489V382-F400 HydrophobicContact CG1-CD2 3.82Å; V382-F400 HydrophobicContact CG1-CE2 4.17Å; V382-F400 HydrophobicContact CG1-CG 4.17Å; V396-F400 HydrophobicContact CG1-CD2 3.52Å; V396-F400 HydrophobicContact CG1-CE2 3.47Å; V396-F400 VanDerWaalsContact CG1-CE2 3.47Å; V396-F400 WeakPolarHBondContact O-CD2 3.33Å; V396-F400 PolarHBondContact O-N 2.92Å; L397-F400 PolarHBondContact O-N 3.4Å; F400-Y402 PolarHBondContact O-N 3.16Å; F400-Y402 VanDerWaalsContact O-N 3.13Å; F400-L403 PolarHBondContact O-N 2.96Å; F400-L403 VanDerWaalsContact O-N 3.16Å; F400-L404 HydrophobicContact CD1-CD1 4.09Å; F400-L404 HydrophobicContact CD1-CG 4.49Å; F400-L404 WeakPolarHBondContact O-CB 3.47Å; F400-L404 PolarHBondContact O-N 3.09Å; F400-V409 HydrophobicContact CB-CG1 3.88Å; F400-V409 HydrophobicContact CB-CG2 3.93Å; F400-L433 HydrophobicContact CE1-CD2 4.09Å; F400-L433 HydrophobicContact CE2-CD2 3.83Å; F400-L433 HydrophobicContact CZ-CD2 3.42Å; F400-L433 VanDerWaalsContact CZ-CD2 3.42Å; F400-L462 HydrophobicContact CE2-CD2 4.28Å; F400-L485 HydrophobicContact CD1-CD1 4.37Å; F400-L485 HydrophobicContact CD2-CD1 4.02Å; F400-L485 HydrophobicContact CE1-CB 4.23Å; F400-L485 HydrophobicContact CE1-CD1 4.12Å; F400-L485 HydrophobicContact CE2-CD1 3.78Å; F400-L485 HydrophobicContact CE2-CD2 4.36Å; F400-L485 HydrophobicContact CG-CD1 4.3Å; F400-L485 HydrophobicContact CZ-CB 4.27Å; F400-L485 HydrophobicContact CZ-CD1 3.82Å; F400-L485 HydrophobicContact CZ-CD2 4.1Å; F400-L485 HydrophobicContact CZ-CG 4.3Å; F400-L489 HydrophobicContact CE1-CD1 4.45Å; F400-L489 HydrophobicContact CE1-CD2 4Å; F400-L489 HydrophobicContact CE1-CG 4.24Å
401Q92.9Very high90.3Very high31 Ų3131 Ų3115%0.14514%0.135CC..Hα-helixtrans-61.7-18.2171.7-74.2175-24.500113.7T238 L397 P406 V409T238-Q401 HydrophobicContact CG2-CB 4.08Å; L397-Q401 WeakPolarHBondContact O-CG 3.21Å; L397-Q401 PolarHBondContact O-N 2.84Å; Q401-P406 HydrophobicContact CG-CB 4.49Å; Q401-V409 HydrophobicContact CG-CB 4.03Å; Q401-V409 HydrophobicContact CG-CG1 4.12Å; Q401-V409 HydrophobicContact CG-CG2 4.49Å
402Y94.2Very high91.4Very high41 Ų4127.4 Ų27.416%0.16112%0.119CC..Hα-helixtrans-89-46.2170.7172-115.3000112.1T238 C239 K241 H306 S398 K399 F400T238-Y402 WeakPolarHBondContact O-CB 3.27Å; C239-Y402 WeakPolarHBondContact O-CD2 3.5Å; K241-Y402 HydrophobicContact CB-CE2 4.43Å; K241-Y402 HydrophobicContact CD-CD2 4.06Å; K241-Y402 HydrophobicContact CD-CE2 4.16Å; K241-Y402 VanDerWaalsContact CE-CG 3.44Å; K241-Y402 HydrophobicContact CG-CD2 3.58Å; K241-Y402 HydrophobicContact CG-CE2 3.27Å; K241-Y402 HydrophobicContact CG-CG 4.45Å; H306-Y402 AromaticContact CE1-CZ 3.97Å; H306-Y402 PolarHBondContact CE1-O 3.19Å; H306-Y402 AromaticContact ND1-CE1 4Å; H306-Y402 AromaticContact ND1-CZ 3.66Å; S398-Y402 PolarHBondContact O-N 3.28Å; K399-Y402 WeakPolarHBondContact O-CB 3.47Å; K399-Y402 PolarHBondContact O-N 2.96Å; F400-Y402 PolarHBondContact O-N 3.16Å; F400-Y402 VanDerWaalsContact O-N 3.13Å
403L96.4Very high91.5Very high15 Ų1528.7 Ų28.78%0.07913%0.132CC..Hα-helixtrans-72-34.1-174.5-68.7175.4000112.7H306 L326 K399 F400 L485 L489H306-L403 PolarHBondContact NE2-O 3.08Å; H306-L403 VanDerWaalsContact NE2-O 3.07Å; L326-L403 HydrophobicContact CD1-CB 4.16Å; L326-L403 HydrophobicContact CD1-CD2 4.21Å; K399-L403 HydrophobicContact CG-CD1 4.06Å; K399-L403 HydrophobicContact CG-CG 4.45Å; K399-L403 WeakPolarHBondContact O-CG 3.5Å; K399-L403 PolarHBondContact O-N 3.06Å; F400-L403 PolarHBondContact O-N 2.96Å; F400-L403 VanDerWaalsContact O-N 3.16Å; L403-L485 HydrophobicContact CD1-CB 3.81Å; L403-L489 HydrophobicContact CB-CD1 4.45Å; L403-L489 HydrophobicContact CD1-CD1 4.21Å
404L96.8Very high90.9Very high2 Ų231.4 Ų31.41%0.0115%0.151CC..SBendtrans-116.6174.6-177.3-54.9177.3000110.5H329 I330 L380 V382 F400 P406 V409 L489H329-L404 HydrophobicContact CB-CD2 3.83Å; I330-L404 HydrophobicContact CG1-CD2 3.85Å; L380-L404 HydrophobicContact CB-CD1 4.46Å; L380-L404 HydrophobicContact CD2-CD1 4.24Å; V382-L404 HydrophobicContact CG2-CD1 3.58Å; F400-L404 HydrophobicContact CD1-CD1 4.09Å; F400-L404 HydrophobicContact CD1-CG 4.49Å; F400-L404 WeakPolarHBondContact O-CB 3.47Å; F400-L404 PolarHBondContact O-N 3.09Å; L404-P406 WeakPolarHBondContact O-CD 3.25Å; L404-V409 HydrophobicContact CB-CG2 4.37Å; L404-L489 HydrophobicContact CD2-CD1 4.43Å
405N95.4Very high90.2Very high0 Ų031.4 Ų31.40%017%0.168CC..  trans-67.1127.5168.9-175.3-26.1000109.3T259 W304 L331 R407 Q408T259-N405 WeakPolarHBondContact CB-OD1 3.48Å; T259-N405 PolarHBondContact O-ND2 2.91Å; W304-N405 HydrophobicContact CZ3-CB 4.2Å; L331-N405 WeakPolarHBondContact O-CB 3.36Å; L331-N405 PolarHBondContact O-ND2 3.02Å; N405-R407 PolarHBondContact O-N 2.87Å; N405-R407 WeakPolarHBondContact OD1-CB 3.46Å; N405-R407 PolarHBondContact OD1-N 3.08Å; N405-R407 VanDerWaalsContact OD1-N 3.08Å; N405-Q408 HydrophobicContact CB-CG 4.16Å; N405-Q408 VanDerWaalsContact O-CB 3.32Å; N405-Q408 WeakPolarHBondContact O-CB 3.36Å; N405-Q408 PolarHBondContact O-N 3.28Å
406P92.2Very high90.3Very high10 Ų1022.8 Ų22.87%0.06514%0.138CC..G310 helixtrans-53-25.8178.8-2833.3000114.7C239 T259 Q401 L404 Q408 V409C239-P406 HydrophobicContact CB-CG 4.12Å; T259-P406 HydrophobicContact CG2-CG 4.27Å; Q401-P406 HydrophobicContact CG-CB 4.49Å; L404-P406 WeakPolarHBondContact O-CD 3.25Å; P406-Q408 PolarHBondContact O-N 3.02Å; P406-V409 PolarHBondContact O-N 3.38Å; P406-V409 VanDerWaalsContact O-N 3.16Å
407R91.8Very high90.3Very high27 Ų2723.1 Ų23.110%0.10214%0.14CC..G310 helixtrans-66.4-10.2174.7-65.1-73.8177.3-171.7-2.7113.9T259 I336 N405 Y410 F423T259-R407 HydrophobicContact CG2-CG 4.47Å; T259-R407 PolarHBondContact OG1-NE 3.26Å; I336-R407 HydrophobicContact CD1-CB 4.17Å; I336-R407 HydrophobicContact CD1-CG 4.49Å; N405-R407 PolarHBondContact O-N 2.87Å; N405-R407 WeakPolarHBondContact OD1-CB 3.46Å; N405-R407 PolarHBondContact OD1-N 3.08Å; N405-R407 VanDerWaalsContact OD1-N 3.08Å; R407-Y410 WeakPolarHBondContact O-CE2 3.41Å; R407-Y410 PolarHBondContact O-OH 3.17Å; R407-F423 HydrophobicContact CB-CE1 4.1Å
408Q94.6Very high90.2Very high0 Ų024.9 Ų24.90%016%0.161CC..G310 helixtrans-97.7-6.6176.1-55.1178.7-101.700113H329 L331 L380 V382 N405 P406 F424H329-Q408 PolarHBondContact O-NE2 3.14Å; L331-Q408 HydrophobicContact CB-CG 3.68Å; L331-Q408 HydrophobicContact CD2-CG 4.36Å; L380-Q408 WeakPolarHBondContact O-CB 3.48Å; L380-Q408 PolarHBondContact O-NE2 2.62Å; V382-Q408 PolarHBondContact N-O 2.91Å; N405-Q408 HydrophobicContact CB-CG 4.16Å; N405-Q408 VanDerWaalsContact O-CB 3.32Å; N405-Q408 WeakPolarHBondContact O-CB 3.36Å; N405-Q408 PolarHBondContact O-N 3.28Å; P406-Q408 PolarHBondContact O-N 3.02Å; Q408-F424 HydrophobicContact CB-CZ 4.35Å; Q408-F424 HydrophobicContact CG-CZ 4.05Å
409V94.9Very high90.2Very high9 Ų925.3 Ų25.36%0.05517%0.165CC..EExtended strand (participates in β ladder)trans-119.4107.7-167.3-168.60000110V382 V384 L397 F400 Q401 L404 P406V382-V409 HydrophobicContact CB-CG1 4.31Å; V382-V409 HydrophobicContact CB-CG2 4.39Å; V382-V409 HydrophobicContact CG1-CG1 4.37Å; V382-V409 CarbonylContact O-C 3.55Å; V382-V409 WeakPolarHBondContact O-CA 3.27Å; V384-V409 HydrophobicContact CG2-CG1 4.28Å; L397-V409 HydrophobicContact CD1-CG1 3.69Å; F400-V409 HydrophobicContact CB-CG1 3.88Å; F400-V409 HydrophobicContact CB-CG2 3.93Å; Q401-V409 HydrophobicContact CG-CB 4.03Å; Q401-V409 HydrophobicContact CG-CG1 4.12Å; Q401-V409 HydrophobicContact CG-CG2 4.49Å; L404-V409 HydrophobicContact CB-CG2 4.37Å; P406-V409 PolarHBondContact O-N 3.38Å; P406-V409 VanDerWaalsContact O-N 3.16Å
410Y93.1Very high90.1Very high26 Ų2621.5 Ų21.510%0.10215%0.149CC..EExtended strand (participates in β ladder)trans-106.4131.8-172.7-70.2-96.1000111.7N361 L381 V382 F383 V384 R407 A419 G420 F423N361-Y410 PolarHBondContact OD1-OH 3.08Å; L381-Y410 HydrophobicContact CD1-CD2 3.5Å; L381-Y410 VanDerWaalsContact CD1-CD2 3.5Å; L381-Y410 HydrophobicContact CD1-CE2 3.52Å; V382-Y410 PolarHBondContact O-N 3.39Å; F383-Y410 HydrophobicContact CD1-CG 4.44Å; F383-Y410 HydrophobicContact CE1-CD2 4.39Å; F383-Y410 HydrophobicContact CE1-CG 4.17Å; V384-Y410 PolarHBondContact N-O 2.77Å; R407-Y410 WeakPolarHBondContact O-CE2 3.41Å; R407-Y410 PolarHBondContact O-OH 3.17Å; Y410-A419 HydrophobicContact CD1-CB 4.35Å; Y410-A419 HydrophobicContact CE1-CB 3.97Å; Y410-G420 VanDerWaalsContact CE2-CA 3.47Å; Y410-F423 WeakPolarHBondContact OH-CB 3.16Å; Y410-F423 WeakPolarHBondContact OH-CD1 3.15Å
411N89.1Confident89.9Confident22 Ų2221.7 Ų21.712%0.11815%0.149CC..EExtended strand (participates in β ladder)trans-86114.3171.9-179.6-18.7000109.2P386 L397 S413 S414P386-N411 VanDerWaalsContact CD-OD1 3.26Å; P386-N411 WeakPolarHBondContact CD-OD1 3.12Å; P386-N411 VanDerWaalsContact CG-CG 3.42Å; P386-N411 WeakPolarHBondContact CG-ND2 3.28Å; P386-N411 WeakPolarHBondContact CG-OD1 3.29Å; L397-N411 HydrophobicContact CD1-CB 4.35Å; L397-N411 HydrophobicContact CD2-CB 4.12Å; N411-S413 VanDerWaalsContact C-N 3.27Å; N411-S413 PolarHBondContact O-N 2.98Å; N411-S413 WeakPolarHBondContact OD1-CB 3.42Å; N411-S413 PolarHBondContact OD1-N 3.19Å; N411-S414 PolarHBondContact O-N 3.16Å
412L89.3Confident89.8Confident6 Ų623.1 Ų23.13%0.03116%0.163CC..THydrogen-bonded Turntrans-68.7-22.7-177.5-69.9177.8000114.2F383 V384 N385 S414 G416 P417 T440 W443 I444F383-L412 HydrophobicContact CB-CD1 4.05Å; F383-L412 HydrophobicContact CB-CD2 4.01Å; F383-L412 HydrophobicContact CB-CG 4.06Å; F383-L412 HydrophobicContact CD1-CD2 3.66Å; F383-L412 HydrophobicContact CD1-CG 4.47Å; F383-L412 HydrophobicContact CG-CD2 4.12Å; V384-L412 PolarHBondContact O-N 2.83Å; N385-L412 HydrophobicContact CB-CD1 4.28Å; L412-S414 PolarHBondContact O-N 3.25Å; L412-G416 PolarHBondContact O-N 3.23Å; L412-P417 HydrophobicContact CD2-CB 4.03Å; L412-T440 HydrophobicContact CD1-CG2 3.44Å; L412-T440 VanDerWaalsContact CD1-CG2 3.44Å; L412-W443 HydrophobicContact CB-CH2 4.29Å; L412-W443 HydrophobicContact CB-CZ3 3.78Å; L412-W443 HydrophobicContact CD1-CE3 4.31Å; L412-W443 HydrophobicContact CD1-CZ3 4.2Å; L412-W443 HydrophobicContact CD2-CH2 4.47Å; L412-W443 HydrophobicContact CD2-CZ3 4.2Å; L412-W443 HydrophobicContact CG-CZ3 4.29Å; L412-I444 HydrophobicContact CD1-CD1 4.14Å; L412-I444 HydrophobicContact CD2-CD1 3.8Å
413S81.1Confident89.7Confident62 Ų6221.7 Ų21.743%0.43416%0.158SC..THydrogen-bonded Turntrans-71.9-10.6171.7-580000112.8P386 N411P386-S413 WeakPolarHBondContact CD-OG 3.4Å; N411-S413 VanDerWaalsContact C-N 3.27Å; N411-S413 PolarHBondContact O-N 2.98Å; N411-S413 WeakPolarHBondContact OD1-CB 3.42Å; N411-S413 PolarHBondContact OD1-N 3.19Å
414S74.2Confident89.6Confident56 Ų5621 Ų2139%0.39215%0.154SC..THydrogen-bonded Turntrans-118.173.1-175-58.90000110.6N411 L412N411-S414 PolarHBondContact O-N 3.16Å; L412-S414 PolarHBondContact O-N 3.25Å
415G70.4Confident89.4Confident62 Ų6226.3 Ų26.364%0.63917%0.174SC*.THydrogen-bonded Turntrans89.88.8175.200000115.7
416G86.3Confident89.1Confident11 Ų1131 Ų3111%0.11320%0.199CC..  trans67.7-163.4174.400000114.8L412L412-G416 PolarHBondContact O-N 3.23Å
417P92.5Very high89.1Confident8 Ų831 Ų315%0.05220%0.198CC..SBendtrans-84.8-17.2-171.731-35.7000115.4F383 L412 A419 G420 L421 W443 I444 A447F383-P417 HydrophobicContact CD1-CB 4.2Å; F383-P417 HydrophobicContact CE1-CB 3.81Å; F383-P417 WeakPolarHBondContact CE1-O 3.22Å; F383-P417 HydrophobicContact CZ-CB 4.05Å; L412-P417 HydrophobicContact CD2-CB 4.03Å; P417-A419 VanDerWaalsContact C-N 3.32Å; P417-A419 PolarHBondContact O-N 2.71Å; P417-G420 PolarHBondContact O-N 3.32Å; P417-G420 VanDerWaalsContact O-N 3.1Å; P417-L421 HydrophobicContact CB-CD1 4.45Å; P417-L421 PolarHBondContact O-N 2.94Å; P417-L421 VanDerWaalsContact O-N 3.15Å; P417-W443 HydrophobicContact CG-CZ2 4.31Å; P417-I444 HydrophobicContact CB-CD1 3.46Å; P417-I444 VanDerWaalsContact CB-CD1 3.46Å; P417-I444 HydrophobicContact CG-CD1 4.02Å; P417-A447 HydrophobicContact CB-CB 4.18Å; P417-A447 HydrophobicContact CG-CB 3.47Å; P417-A447 VanDerWaalsContact CG-CB 3.47Å
418G90.4Very high89.1Confident46 Ų4637.2 Ų37.247%0.47423%0.228SC..Hα-helixtrans-56.6-41.6-169.100000113.8G420 L421 S422G418-G420 PolarHBondContact O-N 3.28Å; G418-L421 PolarHBondContact O-N 2.8Å; G418-S422 VanDerWaalsContact O-CB 3.28Å; G418-S422 WeakPolarHBondContact O-CB 3.42Å; G418-S422 PolarHBondContact O-N 3.36Å
419A87.7Confident89.1Confident18 Ų1841.3 Ų41.315%0.14925%0.25CS..Hα-helixtrans-60.8-43.2178.400000112.7F360 N361 Y410 P417 S422 F423F360-A419 HydrophobicContact CB-CB 3.86Å; F360-A419 HydrophobicContact CD2-CB 4.37Å; N361-A419 PolarHBondContact ND2-O 2.84Å; Y410-A419 HydrophobicContact CD1-CB 4.35Å; Y410-A419 HydrophobicContact CE1-CB 3.97Å; P417-A419 VanDerWaalsContact C-N 3.32Å; P417-A419 PolarHBondContact O-N 2.71Å; A419-S422 PolarHBondContact O-N 3.4Å; A419-F423 PolarHBondContact O-N 2.87Å
420G91.7Very high89.2Confident0 Ų041.1 Ų41.10%025%0.249CC..Hα-helixtrans-68.5-43.8179.300000112.8Y410 P417 G418 S422 F423 F424Y410-G420 VanDerWaalsContact CE2-CA 3.47Å; P417-G420 PolarHBondContact O-N 3.32Å; P417-G420 VanDerWaalsContact O-N 3.1Å; G418-G420 PolarHBondContact O-N 3.28Å; G420-S422 VanDerWaalsContact C-N 3.32Å; G420-S422 PolarHBondContact O-N 3.43Å; G420-F423 PolarHBondContact O-N 3.15Å; G420-F424 PolarHBondContact O-N 2.65Å
421L93.6Very high89.4Confident3 Ų341 Ų412%0.01625%0.248CC..Hα-helixtrans-61.6-41.9176-63.8178.5000111.3L381 F383 P417 G418 F423 F424 R425 I432 A447 I448 A451 L453L381-L421 HydrophobicContact CD2-CD2 4.24Å; F383-L421 HydrophobicContact CE2-CD2 4.09Å; F383-L421 HydrophobicContact CZ-CD2 4.05Å; F383-L421 HydrophobicContact CZ-CG 4.05Å; P417-L421 HydrophobicContact CB-CD1 4.45Å; P417-L421 PolarHBondContact O-N 2.94Å; P417-L421 VanDerWaalsContact O-N 3.15Å; G418-L421 PolarHBondContact O-N 2.8Å; L421-F423 PolarHBondContact O-N 2.73Å; L421-F424 PolarHBondContact O-N 3.41Å; L421-R425 PolarHBondContact O-N 2.96Å; L421-R425 VanDerWaalsContact O-N 3.09Å; L421-I432 HydrophobicContact CD2-CD1 3.98Å; L421-A447 HydrophobicContact CD1-CB 3.75Å; L421-I448 HydrophobicContact CD1-CG1 4.28Å; L421-I448 HydrophobicContact CD2-CG1 3.94Å; L421-A451 HydrophobicContact CB-CB 4.19Å; L421-A451 HydrophobicContact CD1-CB 3.93Å; L421-L453 HydrophobicContact CB-CD2 4.49Å; L421-L453 HydrophobicContact CD2-CD1 4.3Å
422S91.2Very high89.9Confident61 Ų6140 Ų4043%0.42724%0.243SC..Hα-helixtrans-64.1-38.8176.3-173.50000112.4G418 A419 G420 F424 R425G418-S422 VanDerWaalsContact O-CB 3.28Å; G418-S422 WeakPolarHBondContact O-CB 3.42Å; G418-S422 PolarHBondContact O-N 3.36Å; A419-S422 PolarHBondContact O-N 3.4Å; G420-S422 VanDerWaalsContact C-N 3.32Å; G420-S422 PolarHBondContact O-N 3.43Å; S422-F424 PolarHBondContact O-N 3.39Å; S422-R425 WeakPolarHBondContact O-CB 3.36Å; S422-R425 VanDerWaalsContact O-CD 3.29Å; S422-R425 WeakPolarHBondContact O-CD 3.45Å; S422-R425 WeakPolarHBondContact O-CG 3.4Å; S422-R425 PolarHBondContact O-N 2.85Å
423F92.1Very high90.3Very high12 Ų1239.7 Ų39.75%0.05324%0.241CC..Hα-helixtrans-65.1-41179-171.7-140.9000112.7L331 I336 N361 L369 I371 R407 Y410 A419 G420 L421L331-F423 HydrophobicContact CD2-CE1 4.18Å; L331-F423 HydrophobicContact CD2-CZ 4.49Å; I336-F423 HydrophobicContact CD1-CE1 4.38Å; I336-F423 HydrophobicContact CD1-CZ 4.04Å; I336-F423 HydrophobicContact CG1-CZ 4.32Å; I336-F423 HydrophobicContact CG2-CE2 4.35Å; I336-F423 HydrophobicContact CG2-CZ 3.87Å; N361-F423 HydrophobicContact CB-CD2 4.24Å; N361-F423 WeakPolarHBondContact ND2-CB 3.35Å; L369-F423 HydrophobicContact CB-CE2 3.73Å; L369-F423 HydrophobicContact CB-CZ 4.4Å; I371-F423 HydrophobicContact CD1-CD1 4.09Å; I371-F423 HydrophobicContact CD1-CD2 4.28Å; I371-F423 HydrophobicContact CD1-CE1 3.9Å; I371-F423 HydrophobicContact CD1-CE2 4.1Å; I371-F423 HydrophobicContact CD1-CG 4.25Å; I371-F423 HydrophobicContact CD1-CZ 3.89Å; I371-F423 WeakPolarHBondContact CD1-O 2.82Å; I371-F423 HydrophobicContact CG1-CD2 4.25Å; I371-F423 HydrophobicContact CG1-CE1 4.15Å; I371-F423 HydrophobicContact CG1-CE2 3.68Å; I371-F423 HydrophobicContact CG1-CZ 3.61Å; R407-F423 HydrophobicContact CB-CE1 4.1Å; Y410-F423 WeakPolarHBondContact OH-CB 3.16Å; Y410-F423 WeakPolarHBondContact OH-CD1 3.15Å; A419-F423 PolarHBondContact O-N 2.87Å; G420-F423 PolarHBondContact O-N 3.15Å; L421-F423 PolarHBondContact O-N 2.73Å
424F93.9Very high91.2Very high0 Ų036.8 Ų36.80%022%0.22CC..Hα-helixtrans-87-5-177.4-82.4-114.7000113.8L331 I371 P379 L381 Q408 G420 L421 S422 N426 L427 Y430L331-F424 HydrophobicContact CD2-CZ 4.17Å; I371-F424 HydrophobicContact CD1-CD2 4.1Å; I371-F424 HydrophobicContact CD1-CE2 4.27Å; I371-F424 HydrophobicContact CD1-CG 4.23Å; P379-F424 HydrophobicContact CB-CE1 4.06Å; L381-F424 HydrophobicContact CB-CD1 4.06Å; L381-F424 HydrophobicContact CB-CD2 4.35Å; L381-F424 HydrophobicContact CB-CE1 3.94Å; L381-F424 HydrophobicContact CB-CE2 4.25Å; L381-F424 HydrophobicContact CB-CG 4.28Å; L381-F424 HydrophobicContact CB-CZ 4.04Å; L381-F424 HydrophobicContact CD1-CD2 3.95Å; L381-F424 HydrophobicContact CD1-CE2 3.84Å; L381-F424 HydrophobicContact CD1-CZ 4.38Å; L381-F424 HydrophobicContact CD2-CB 4.21Å; L381-F424 HydrophobicContact CD2-CD2 4.14Å; L381-F424 HydrophobicContact CD2-CG 4.07Å; L381-F424 HydrophobicContact CG-CD2 4.38Å; L381-F424 HydrophobicContact CG-CE2 4.49Å; Q408-F424 HydrophobicContact CB-CZ 4.35Å; Q408-F424 HydrophobicContact CG-CZ 4.05Å; G420-F424 PolarHBondContact O-N 2.65Å; L421-F424 PolarHBondContact O-N 3.41Å; S422-F424 PolarHBondContact O-N 3.39Å; F424-N426 PolarHBondContact O-N 2.96Å; F424-L427 HydrophobicContact CD1-CD1 3.64Å; F424-L427 HydrophobicContact CE1-CD1 4.06Å; F424-L427 HydrophobicContact CG-CD1 4.32Å; F424-L427 WeakPolarHBondContact O-CB 3.49Å; F424-L427 PolarHBondContact O-N 2.93Å; F424-Y430 HydrophobicContact CB-CD2 4.25Å; F424-Y430 HydrophobicContact CB-CE2 3.89Å; F424-Y430 AromaticContact CD1-CD2 3.59Å; F424-Y430 HydrophobicContact CD1-CD2 3.59Å; F424-Y430 HydrophobicContact CD1-CE2 4.09Å; F424-Y430 AromaticContact CD1-CG 3.92Å; F424-Y430 HydrophobicContact CD1-CG 3.92Å; F424-Y430 HydrophobicContact CE1-CD2 4.39Å; F424-Y430 HydrophobicContact CG-CD2 4.31Å; F424-Y430 HydrophobicContact CG-CE2 4.38Å
425R91.3Very high92.3Very high114 Ų11434.1 Ų34.143%0.4320%0.202SC..THydrogen-bonded Turntrans-53.9-27-168.974.1-176.7-68.7171.63.7116.6L421 S422 L453L421-R425 PolarHBondContact O-N 2.96Å; L421-R425 VanDerWaalsContact O-N 3.09Å; S422-R425 WeakPolarHBondContact O-CB 3.36Å; S422-R425 VanDerWaalsContact O-CD 3.29Å; S422-R425 WeakPolarHBondContact O-CD 3.45Å; S422-R425 WeakPolarHBondContact O-CG 3.4Å; S422-R425 PolarHBondContact O-N 2.85Å; R425-L453 HydrophobicContact CB-CD2 4.02Å
426N89.8Confident93.4Very high99 Ų9931.1 Ų31.153%0.52917%0.171SC..THydrogen-bonded Turntrans-94-4.5-176.6-67.4-29.8000112.9F424F424-N426 PolarHBondContact O-N 2.96Å
427L92.1Very high93.7Very high9 Ų931.2 Ų31.25%0.04717%0.172CC..  trans-82.3137.9173.3-66.7179.5000110I371 P373 F424 Y430I371-L427 HydrophobicContact CB-CD2 4.26Å; I371-L427 HydrophobicContact CB-CG 4.43Å; I371-L427 HydrophobicContact CD1-CD1 3.81Å; I371-L427 HydrophobicContact CD1-CG 4.3Å; I371-L427 HydrophobicContact CG2-CD1 4.1Å; I371-L427 HydrophobicContact CG2-CD2 3.83Å; I371-L427 HydrophobicContact CG2-CG 4.28Å; P373-L427 HydrophobicContact CB-CD2 4.33Å; P373-L427 HydrophobicContact CG-CD2 4.05Å; F424-L427 HydrophobicContact CD1-CD1 3.64Å; F424-L427 HydrophobicContact CE1-CD1 4.06Å; F424-L427 HydrophobicContact CG-CD1 4.32Å; F424-L427 WeakPolarHBondContact O-CB 3.49Å; F424-L427 PolarHBondContact O-N 2.93Å; L427-Y430 HydrophobicContact CB-CD1 3.73Å; L427-Y430 HydrophobicContact CB-CE1 4.26Å; L427-Y430 HydrophobicContact CB-CG 4.41Å; L427-Y430 WeakPolarHBondContact O-CE1 3.28Å
428Q92.3Very high93.6Very high157 Ų15731.9 Ų31.973%0.73418%0.175SC*.SBendtrans-92.5-23.5174.9-65-174.30.800112.6V455Q428-V455 HydrophobicContact CB-CG1 4.43Å
429D93.5Very high93.6Very high87 Ų8731.2 Ų31.247%0.46517%0.168SC..SBendtrans-133.5105.2-175.5-164.49000110.6H378H378-D429 VanDerWaalsContact CD2-CG 3.4Å; H378-D429 IonicContact CD2-OD1 3.13Å; H378-D429 PolarHBondContact CD2-OD1 2.85Å; H378-D429 IonicContact CD2-OD2 2.77Å; H378-D429 PolarHBondContact CD2-OD2 3.45Å; H378-D429 VanDerWaalsContact CD2-OD2 3.29Å; H378-D429 IonicContact CG-OD1 3.37Å; H378-D429 IonicContact NE2-OD1 3.4Å; H378-D429 IonicContact NE2-OD2 3.39Å; H378-D429 PolarHBondContact NE2-OD2 3.37Å
430Y97.1Very high93.8Very high4 Ų431 Ų312%0.01617%0.165CC..  trans-163.7162.6-179.871.1-80.7000109.3P379 L381 F424 L427 I432 V455 P457P379-Y430 VanDerWaalsContact O-CB 3.3Å; P379-Y430 WeakPolarHBondContact O-CB 2.93Å; L381-Y430 HydrophobicContact CD2-CE2 4.39Å; F424-Y430 HydrophobicContact CB-CD2 4.25Å; F424-Y430 HydrophobicContact CB-CE2 3.89Å; F424-Y430 AromaticContact CD1-CD2 3.59Å; F424-Y430 HydrophobicContact CD1-CD2 3.59Å; F424-Y430 HydrophobicContact CD1-CE2 4.09Å; F424-Y430 AromaticContact CD1-CG 3.92Å; F424-Y430 HydrophobicContact CD1-CG 3.92Å; F424-Y430 HydrophobicContact CE1-CD2 4.39Å; F424-Y430 HydrophobicContact CG-CD2 4.31Å; F424-Y430 HydrophobicContact CG-CE2 4.38Å; L427-Y430 HydrophobicContact CB-CD1 3.73Å; L427-Y430 HydrophobicContact CB-CE1 4.26Å; L427-Y430 HydrophobicContact CB-CG 4.41Å; L427-Y430 WeakPolarHBondContact O-CE1 3.28Å; Y430-I432 HydrophobicContact CD2-CG1 4.44Å; Y430-I432 HydrophobicContact CE2-CD1 4.3Å; Y430-I432 HydrophobicContact CE2-CG1 4.09Å; Y430-V455 HydrophobicContact CD1-CG2 4.45Å; Y430-V455 HydrophobicContact CE1-CG2 3.84Å; Y430-P457 HydrophobicContact CD1-CB 4.38Å; Y430-P457 HydrophobicContact CD2-CB 3.96Å; Y430-P457 HydrophobicContact CD2-CG 4.39Å; Y430-P457 HydrophobicContact CE1-CB 4.08Å; Y430-P457 HydrophobicContact CE1-CG 4.3Å; Y430-P457 HydrophobicContact CE2-CB 3.65Å; Y430-P457 HydrophobicContact CE2-CG 3.59Å; Y430-P457 HydrophobicContact CG-CB 4.34Å; Y430-P457 WeakPolarHBondContact O-CB 3.48Å
431R98.3Very high94Very high25 Ų2531 Ų319%0.09417%0.165CC..EExtended strand (participates in β ladder)trans-121.3157.3179.5-55-174.9-170.1120.7-0.9110.5D328 H378 P379 L380 L381 P458 L718D328-R431 IonicContact OD2-CZ 2.66Å; D328-R431 IonicContact OD2-NH1 2.66Å; D328-R431 PolarHBondContact OD2-NH1 3.04Å; D328-R431 IonicContact OD2-NH2 2.88Å; H378-R431 HydrophobicContact CB-CG 4.12Å; H378-R431 PolarHBondContact CD2-NH2 3.5Å; H378-R431 PolarHBondContact CE1-NH2 3.09Å; H378-R431 PolarHBondContact ND1-NH2 2.94Å; H378-R431 PolarHBondContact NE2-NH2 3.34Å; P379-R431 PolarHBondContact O-N 2.8Å; L380-R431 HydrophobicContact CD1-CB 3.82Å; L381-R431 PolarHBondContact N-O 3.12Å; R431-P458 HydrophobicContact CG-CG 4.02Å; R431-L718 HydrophobicContact CB-CD1 4.33Å; R431-L718 HydrophobicContact CG-CD1 4.42Å
432I98.7Very high94.1Very high0 Ų031.4 Ų31.40%017%0.17CC..EExtended strand (participates in β ladder)trans-113.5137.3174.1-63-179.5000109.7L381 F383 L421 Y430 V434 I444 I448 P457 P458 V459 A460L381-I432 HydrophobicContact CB-CG1 4.27Å; L381-I432 HydrophobicContact CD2-CD1 4.36Å; L381-I432 HydrophobicContact CD2-CG1 4.26Å; L381-I432 CarbonylContact O-C 3.13Å; L381-I432 VanDerWaalsContact O-CA 3.29Å; L381-I432 WeakPolarHBondContact O-CA 3.16Å; F383-I432 HydrophobicContact CD2-CG2 3.81Å; F383-I432 HydrophobicContact CE2-CG2 4.03Å; L421-I432 HydrophobicContact CD2-CD1 3.98Å; Y430-I432 HydrophobicContact CD2-CG1 4.44Å; Y430-I432 HydrophobicContact CE2-CD1 4.3Å; Y430-I432 HydrophobicContact CE2-CG1 4.09Å; I432-V434 HydrophobicContact CG2-CG2 4Å; I432-I444 HydrophobicContact CG2-CG2 4.38Å; I432-I448 HydrophobicContact CD1-CD1 3.71Å; I432-I448 HydrophobicContact CD1-CG1 4.22Å; I432-P457 HydrophobicContact CD1-CB 4.32Å; I432-P457 HydrophobicContact CD1-CG 3.44Å; I432-P457 VanDerWaalsContact CD1-CG 3.44Å; I432-P457 HydrophobicContact CG1-CB 4.23Å; I432-P457 HydrophobicContact CG1-CG 3.88Å; I432-P458 PolarHBondContact N-O 2.84Å; I432-V459 HydrophobicContact CB-CG2 4.24Å; I432-V459 HydrophobicContact CG2-CG1 4.31Å; I432-V459 CarbonylContact O-C 3.45Å; I432-V459 WeakPolarHBondContact O-CA 3.38Å; I432-A460 PolarHBondContact O-N 2.93Å
433L98.8Very high94.2Very high0 Ų033.5 Ų33.50%017%0.169CC..EExtended strand (participates in β ladder)trans-116.6122.8167.317562.8000109.8L380 L381 V382 F383 F400 A460 L462 I492L380-L433 HydrophobicContact CD1-CB 3.98Å; L380-L433 HydrophobicContact CD2-CB 4.1Å; L380-L433 HydrophobicContact CD2-CD2 4.19Å; L380-L433 HydrophobicContact CG-CB 4.19Å; L381-L433 PolarHBondContact O-N 3.21Å; V382-L433 WeakPolarHBondContact CA-O 3.18Å; V382-L433 HydrophobicContact CG1-CB 4.46Å; V382-L433 HydrophobicContact CG1-CD2 4.24Å; V382-L433 HydrophobicContact CG1-CG 4.43Å; V382-L433 HydrophobicContact CG2-CB 4.3Å; V382-L433 HydrophobicContact CG2-CD2 4.44Å; F383-L433 PolarHBondContact N-O 3.02Å; F400-L433 HydrophobicContact CE1-CD2 4.09Å; F400-L433 HydrophobicContact CE2-CD2 3.83Å; F400-L433 HydrophobicContact CZ-CD2 3.42Å; F400-L433 VanDerWaalsContact CZ-CD2 3.42Å; L433-A460 HydrophobicContact CD1-CB 3.89Å; L433-L462 HydrophobicContact CD1-CB 4.14Å; L433-I492 HydrophobicContact CB-CD1 4.43Å; L433-I492 HydrophobicContact CD1-CD1 4.02Å; L433-I492 HydrophobicContact CD2-CD1 4.02Å; L433-I492 HydrophobicContact CG-CD1 4.39Å
434V98.5Very high94.5Very high0 Ų033 Ų330%017%0.166CC..EExtended strand (participates in β ladder)trans-104.7117.4175.5-173.20000110I432 T440 V441 I444 V459 A460 V461 L462I432-V434 HydrophobicContact CG2-CG2 4Å; V434-T440 HydrophobicContact CG1-CG2 3.8Å; V434-V441 HydrophobicContact CB-CG2 4.3Å; V434-V441 HydrophobicContact CG1-CG2 4.06Å; V434-I444 HydrophobicContact CG1-CG1 3.87Å; V434-I444 HydrophobicContact CG2-CB 3.94Å; V434-I444 HydrophobicContact CG2-CG1 3.81Å; V434-I444 HydrophobicContact CG2-CG2 3.81Å; V434-V459 HydrophobicContact CG2-CG1 3.73Å; V434-A460 PolarHBondContact N-O 3.37Å; V434-V461 WeakPolarHBondContact O-CA 3.33Å; V434-L462 PolarHBondContact O-N 2.61Å
435C97.6Very high94.6Very high0 Ų033.2 Ų33.20%017%0.168CC..EExtended strand (participates in β ladder)trans-101.598.1177.2-51.20000109.7F383 V384 N385 V396 L462 L464F383-C435 PolarHBondContact O-N 2.8Å; V384-C435 HydrophobicContact CB-CB 4.27Å; V384-C435 HydrophobicContact CG1-CB 4.04Å; V384-C435 HydrophobicContact CG2-CB 4.05Å; N385-C435 PolarHBondContact N-O 2.79Å; V396-C435 HydrophobicContact CG1-CB 4.13Å; C435-L462 HydrophobicContact CB-CB 4.15Å; C435-L462 HydrophobicContact CB-CD2 4.08Å; C435-L464 HydrophobicContact CB-CD1 3.89Å; C435-L464 HydrophobicContact CB-CG 4.48Å
436G94.5Very high94.8Very high0 Ų029.7 Ų29.70%016%0.157CC..EExtended strand (participates in β ladder)trans-177.4-166.2-172.100000113.2L462 L464 G465G436-L462 PolarHBondContact N-O 3.22Å; G436-L464 PolarHBondContact O-N 3.46Å; G436-G465 PolarHBondContact O-N 2.72Å
437G91.4Very high95Very high12 Ų1225.7 Ų25.712%0.12414%0.138CC..  trans-95.1-176.4166.400000112G439 T440 V441G437-G439 PolarHBondContact O-N 3.5Å; G437-T440 WeakPolarHBondContact O-CA 3.28Å; G437-T440 WeakPolarHBondContact O-CB 3.47Å; G437-T440 PolarHBondContact O-N 3.47Å; G437-V441 PolarHBondContact O-N 3.37Å; G437-V441 VanDerWaalsContact O-N 3.17Å
438D90.3Very high95.2Very high23 Ų2326 Ų2612%0.12314%0.139CC..Hα-helixtrans-55.6-46.1-176.7-58.2-71.1000112.8T440 V441 G442 N468 D469 L470 N526D438-T440 VanDerWaalsContact C-N 3.27Å; D438-T440 PolarHBondContact O-N 3.38Å; D438-V441 WeakPolarHBondContact O-CA 3.01Å; D438-V441 WeakPolarHBondContact O-CB 3.43Å; D438-V441 PolarHBondContact O-N 3.37Å; D438-G442 PolarHBondContact O-N 2.83Å; D438-N468 WeakPolarHBondContact OD2-CA 3.42Å; D438-N468 PolarHBondContact OD2-N 3.02Å; D438-D469 PolarHBondContact OD1-N 3.26Å; D438-D469 PolarHBondContact OD2-N 2.99Å; D438-L470 WeakPolarHBondContact OD1-CB 3.26Å; D438-L470 PolarHBondContact OD1-N 2.82Å; D438-N526 PolarHBondContact OD1-ND2 2.74Å
439G90.4Very high95.2Very high31 Ų3120.4 Ų20.432%0.3211%0.114SC..Hα-helixtrans-61.2-31175.600000114.2G437 W443G437-G439 PolarHBondContact O-N 3.5Å; G439-W443 WeakPolarHBondContact O-CB 3.36Å; G439-W443 PolarHBondContact O-N 2.76Å
440T93.5Very high95.2Very high13 Ų1323.5 Ų23.58%0.0812%0.124CC..Hα-helixtrans-68.2-38.8172.7-54.70000110.9N385 L412 V434 G437 D438 I444N385-T440 HydrophobicContact CB-CG2 3.94Å; N385-T440 PolarHBondContact ND2-OG1 3.44Å; L412-T440 HydrophobicContact CD1-CG2 3.44Å; L412-T440 VanDerWaalsContact CD1-CG2 3.44Å; V434-T440 HydrophobicContact CG1-CG2 3.8Å; G437-T440 WeakPolarHBondContact O-CA 3.28Å; G437-T440 WeakPolarHBondContact O-CB 3.47Å; G437-T440 PolarHBondContact O-N 3.47Å; D438-T440 VanDerWaalsContact C-N 3.27Å; D438-T440 PolarHBondContact O-N 3.38Å; T440-I444 WeakPolarHBondContact O-CG1 3.42Å; T440-I444 PolarHBondContact O-N 2.95Å
441V95.8Very high94.9Very high0 Ų024.9 Ų24.90%014%0.136CC..Hα-helixtrans-65.6-46.5175.7-175.80000110.5V434 G437 D438 W443 I444 L445 V461 L470 M717V434-V441 HydrophobicContact CB-CG2 4.3Å; V434-V441 HydrophobicContact CG1-CG2 4.06Å; G437-V441 PolarHBondContact O-N 3.37Å; G437-V441 VanDerWaalsContact O-N 3.17Å; D438-V441 WeakPolarHBondContact O-CA 3.01Å; D438-V441 WeakPolarHBondContact O-CB 3.43Å; D438-V441 PolarHBondContact O-N 3.37Å; V441-W443 VanDerWaalsContact C-N 3.31Å; V441-W443 PolarHBondContact O-N 3.02Å; V441-I444 PolarHBondContact O-N 3.32Å; V441-I444 VanDerWaalsContact O-N 3.12Å; V441-L445 HydrophobicContact CG1-CD1 4.15Å; V441-L445 HydrophobicContact CG1-CG 4.33Å; V441-L445 WeakPolarHBondContact O-CG 3.46Å; V441-L445 PolarHBondContact O-N 3.14Å; V441-V461 HydrophobicContact CG1-CG2 4.17Å; V441-V461 HydrophobicContact CG2-CB 4.47Å; V441-V461 HydrophobicContact CG2-CG1 3.8Å; V441-V461 HydrophobicContact CG2-CG2 3.82Å; V441-L470 HydrophobicContact CB-CD2 4.23Å; V441-L470 HydrophobicContact CG1-CD2 3.64Å; V441-M717 HydrophobicContact CG1-CE 4.29Å
442G94.8Very high94.4Very high12 Ų1230.3 Ų30.312%0.12417%0.167CC..Hα-helixtrans-55.4-4417600000112.9D438 I444 L445 D446D438-G442 PolarHBondContact O-N 2.83Å; G442-I444 PolarHBondContact O-N 3.25Å; G442-L445 PolarHBondContact O-N 3.38Å; G442-D446 PolarHBondContact O-N 3.27Å
443W94.1Very high94Very high106 Ų10631.5 Ų31.540%0.40217%0.173SC..Hα-helixtrans-60.4-42.3175.8179.830000113L412 P417 G439 V441 D446 A447L412-W443 HydrophobicContact CB-CH2 4.29Å; L412-W443 HydrophobicContact CB-CZ3 3.78Å; L412-W443 HydrophobicContact CD1-CE3 4.31Å; L412-W443 HydrophobicContact CD1-CZ3 4.2Å; L412-W443 HydrophobicContact CD2-CH2 4.47Å; L412-W443 HydrophobicContact CD2-CZ3 4.2Å; L412-W443 HydrophobicContact CG-CZ3 4.29Å; P417-W443 HydrophobicContact CG-CZ2 4.31Å; G439-W443 WeakPolarHBondContact O-CB 3.36Å; G439-W443 PolarHBondContact O-N 2.76Å; V441-W443 VanDerWaalsContact C-N 3.31Å; V441-W443 PolarHBondContact O-N 3.02Å; W443-D446 PolarHBondContact O-N 3.37Å; W443-A447 WeakPolarHBondContact O-CB 3.5Å; W443-A447 PolarHBondContact O-N 2.86Å
444I97.1Very high93.4Very high0 Ų037.2 Ų37.20%020%0.203CC..Hα-helixtrans-66.8-41.5176.9-61.7-58000111.4F383 L412 P417 I432 V434 T440 V441 G442 D446 A447 I448F383-I444 HydrophobicContact CB-CD1 4.06Å; F383-I444 HydrophobicContact CD1-CD1 4.27Å; F383-I444 HydrophobicContact CD2-CD1 3.89Å; F383-I444 HydrophobicContact CD2-CG1 4.4Å; F383-I444 HydrophobicContact CD2-CG2 4.18Å; F383-I444 HydrophobicContact CE2-CD1 4.4Å; F383-I444 HydrophobicContact CE2-CG2 4.36Å; F383-I444 HydrophobicContact CG-CD1 3.81Å; L412-I444 HydrophobicContact CD1-CD1 4.14Å; L412-I444 HydrophobicContact CD2-CD1 3.8Å; P417-I444 HydrophobicContact CB-CD1 3.46Å; P417-I444 VanDerWaalsContact CB-CD1 3.46Å; P417-I444 HydrophobicContact CG-CD1 4.02Å; I432-I444 HydrophobicContact CG2-CG2 4.38Å; V434-I444 HydrophobicContact CG1-CG1 3.87Å; V434-I444 HydrophobicContact CG2-CB 3.94Å; V434-I444 HydrophobicContact CG2-CG1 3.81Å; V434-I444 HydrophobicContact CG2-CG2 3.81Å; T440-I444 WeakPolarHBondContact O-CG1 3.42Å; T440-I444 PolarHBondContact O-N 2.95Å; V441-I444 PolarHBondContact O-N 3.32Å; V441-I444 VanDerWaalsContact O-N 3.12Å; G442-I444 PolarHBondContact O-N 3.25Å; I444-D446 VanDerWaalsContact C-N 3.34Å; I444-D446 PolarHBondContact O-N 3.41Å; I444-A447 PolarHBondContact O-N 2.57Å; I444-I448 HydrophobicContact CG2-CD1 3.89Å; I444-I448 HydrophobicContact CG2-CG1 4.39Å; I444-I448 VanDerWaalsContact O-CG1 3.28Å; I444-I448 WeakPolarHBondContact O-CG1 3.21Å; I444-I448 PolarHBondContact O-N 2.7Å
445L97.1Very high93Very high6 Ų639.4 Ų39.43%0.03122%0.216CC..Hα-helixtrans-63.5-40.5178.2-66.7177.2000111.9V441 G442 I448 D449 V459 M500 A715 M717V441-L445 HydrophobicContact CG1-CD1 4.15Å; V441-L445 HydrophobicContact CG1-CG 4.33Å; V441-L445 WeakPolarHBondContact O-CG 3.46Å; V441-L445 PolarHBondContact O-N 3.14Å; G442-L445 PolarHBondContact O-N 3.38Å; L445-I448 PolarHBondContact O-N 2.9Å; L445-D449 PolarHBondContact O-N 2.89Å; L445-D449 VanDerWaalsContact O-N 3.14Å; L445-V459 HydrophobicContact CD2-CG2 4.06Å; L445-M500 HydrophobicContact CD1-CE 3.79Å; L445-A715 HydrophobicContact CD1-CB 4.45Å; L445-A715 HydrophobicContact CD2-CB 3.92Å; L445-M717 HydrophobicContact CD1-SD 4.45Å; L445-M717 HydrophobicContact CD2-SD 4.07Å
446D94.4Very high92.7Very high39 Ų3945.4 Ų45.421%0.20924%0.239CC..Hα-helixtrans-65.3-41.4172.9-179.661.4000112.2G442 W443 I444 I448 D449 K450G442-D446 PolarHBondContact O-N 3.27Å; W443-D446 PolarHBondContact O-N 3.37Å; I444-D446 VanDerWaalsContact C-N 3.34Å; I444-D446 PolarHBondContact O-N 3.41Å; D446-I448 VanDerWaalsContact C-N 3.32Å; D446-I448 PolarHBondContact O-N 3.17Å; D446-D449 WeakPolarHBondContact O-CB 3.21Å; D446-D449 PolarHBondContact O-N 3.13Å; D446-K450 WeakPolarHBondContact O-CG 3.15Å; D446-K450 PolarHBondContact O-N 3.26Å; D446-K450 VanDerWaalsContact O-N 3.12Å; D446-K450 VanDerWaalsContact OD1-CE 3.31Å; D446-K450 WeakPolarHBondContact OD1-CE 3.23Å; D446-K450 IonicContact OD1-NZ 2.64Å; D446-K450 PolarHBondContact OD1-NZ 3.17Å; D446-K450 VanDerWaalsContact OD2-CE 3.28Å; D446-K450 WeakPolarHBondContact OD2-CE 3.42Å; D446-K450 IonicContact OD2-NZ 3.49Å; D446-K450 PolarHBondContact OD2-NZ 2.77Å
447A95.1Very high92.8Very high16 Ų1645.7 Ų45.713%0.13224%0.241CC..Hα-helixtrans-62.8-37.5174.900000112.5P417 L421 W443 I444 K450 A451P417-A447 HydrophobicContact CB-CB 4.18Å; P417-A447 HydrophobicContact CG-CB 3.47Å; P417-A447 VanDerWaalsContact CG-CB 3.47Å; L421-A447 HydrophobicContact CD1-CB 3.75Å; W443-A447 WeakPolarHBondContact O-CB 3.5Å; W443-A447 PolarHBondContact O-N 2.86Å; I444-A447 PolarHBondContact O-N 2.57Å; A447-K450 PolarHBondContact O-N 3.19Å; A447-A451 WeakPolarHBondContact O-CB 3.47Å; A447-A451 PolarHBondContact O-N 3.34Å
448I96.1Very high93.1Very high14 Ų1445.7 Ų45.77%0.07224%0.239CC..Hα-helixtrans-62.9-43.5174.8-72.8164.6000111L421 I432 I444 L445 D446 K450 A451 L453 V459L421-I448 HydrophobicContact CD1-CG1 4.28Å; L421-I448 HydrophobicContact CD2-CG1 3.94Å; I432-I448 HydrophobicContact CD1-CD1 3.71Å; I432-I448 HydrophobicContact CD1-CG1 4.22Å; I444-I448 HydrophobicContact CG2-CD1 3.89Å; I444-I448 HydrophobicContact CG2-CG1 4.39Å; I444-I448 VanDerWaalsContact O-CG1 3.28Å; I444-I448 WeakPolarHBondContact O-CG1 3.21Å; I444-I448 PolarHBondContact O-N 2.7Å; L445-I448 PolarHBondContact O-N 2.9Å; D446-I448 VanDerWaalsContact C-N 3.32Å; D446-I448 PolarHBondContact O-N 3.17Å; I448-K450 VanDerWaalsContact C-N 3.28Å; I448-K450 PolarHBondContact O-N 3.46Å; I448-A451 PolarHBondContact O-N 3.06Å; I448-L453 HydrophobicContact CG2-CD1 4.21Å; I448-V459 HydrophobicContact CD1-CG2 3.94Å
449D93.3Very high93.5Very high40 Ų4044.6 Ų44.621%0.21423%0.233CC..Hα-helixtrans-60.2-39.2176.6-83.4-19.6000112.1L445 D446 R456 R502 N713L445-D449 PolarHBondContact O-N 2.89Å; L445-D449 VanDerWaalsContact O-N 3.14Å; D446-D449 WeakPolarHBondContact O-CB 3.21Å; D446-D449 PolarHBondContact O-N 3.13Å; D449-R456 IonicContact OD1-CZ 2.82Å; D449-R456 IonicContact OD1-NH1 2.88Å; D449-R456 PolarHBondContact OD1-NH1 2.96Å; D449-R456 IonicContact OD1-NH2 3.48Å; D449-R456 PolarHBondContact OD1-NH2 2.79Å; D449-R502 IonicContact OD1-NH1 2.7Å; D449-R502 IonicContact OD2-CZ 2.66Å; D449-R502 IonicContact OD2-NH1 3.52Å; D449-R502 PolarHBondContact OD2-NH1 3.11Å; D449-R502 IonicContact OD2-NH2 3.28Å; D449-N713 VanDerWaalsContact CG-ND2 3.3Å; D449-N713 PolarHBondContact OD1-ND2 3.27Å; D449-N713 PolarHBondContact OD2-ND2 2.97Å
450K93.1Very high93.9Very high153 Ų15343.1 Ų43.167%0.66522%0.218SC*.Hα-helixtrans-80.3-21.6-178.7-68.1170179.6169.90113.5D446 A447 I448 N452D446-K450 WeakPolarHBondContact O-CG 3.15Å; D446-K450 PolarHBondContact O-N 3.26Å; D446-K450 VanDerWaalsContact O-N 3.12Å; D446-K450 VanDerWaalsContact OD1-CE 3.31Å; D446-K450 WeakPolarHBondContact OD1-CE 3.23Å; D446-K450 IonicContact OD1-NZ 2.64Å; D446-K450 PolarHBondContact OD1-NZ 3.17Å; D446-K450 VanDerWaalsContact OD2-CE 3.28Å; D446-K450 WeakPolarHBondContact OD2-CE 3.42Å; D446-K450 IonicContact OD2-NZ 3.49Å; D446-K450 PolarHBondContact OD2-NZ 2.77Å; A447-K450 PolarHBondContact O-N 3.19Å; I448-K450 VanDerWaalsContact C-N 3.28Å; I448-K450 PolarHBondContact O-N 3.46Å; K450-N452 VanDerWaalsContact C-N 3.28Å; K450-N452 PolarHBondContact O-N 3.33Å
451A89.6Confident94.1Very high33 Ų3342.6 Ų42.627%0.27322%0.215SC..THydrogen-bonded Turntrans-77.3-6.6-172.400000115L421 A447 I448 L453L421-A451 HydrophobicContact CB-CB 4.19Å; L421-A451 HydrophobicContact CD1-CB 3.93Å; A447-A451 WeakPolarHBondContact O-CB 3.47Å; A447-A451 PolarHBondContact O-N 3.34Å; I448-A451 PolarHBondContact O-N 3.06Å; A451-L453 VanDerWaalsContact C-N 3.3Å; A451-L453 HydrophobicContact CB-CD1 4.31Å; A451-L453 HydrophobicContact CB-CD2 3.89Å; A451-L453 HydrophobicContact CB-CG 3.81Å; A451-L453 PolarHBondContact O-N 3.08Å
452N87.9Confident94.1Very high139 Ų13942.7 Ų42.774%0.74322%0.215SC*.THydrogen-bonded Turntrans45.852.6-179.7-167.530.3000112.8K450K450-N452 VanDerWaalsContact C-N 3.28Å; K450-N452 PolarHBondContact O-N 3.33Å
453L90.2Very high94.1Very high25 Ų2542.2 Ų42.213%0.13121%0.21CC..  trans-75.3152.6-177.8-57.9173.2000111L421 R425 I448 A451 V455L421-L453 HydrophobicContact CB-CD2 4.49Å; L421-L453 HydrophobicContact CD2-CD1 4.3Å; R425-L453 HydrophobicContact CB-CD2 4.02Å; I448-L453 HydrophobicContact CG2-CD1 4.21Å; A451-L453 VanDerWaalsContact C-N 3.3Å; A451-L453 HydrophobicContact CB-CD1 4.31Å; A451-L453 HydrophobicContact CB-CD2 3.89Å; A451-L453 HydrophobicContact CB-CG 3.81Å; A451-L453 PolarHBondContact O-N 3.08Å; L453-V455 VanDerWaalsContact CB-O 3.23Å; L453-V455 WeakPolarHBondContact CB-O 3.17Å; L453-V455 PolarHBondContact O-N 3.34Å
454L87.2Confident94Very high120 Ų12037.1 Ų37.163%0.62819%0.19SC*.SBendtrans-63-30.2176.6-64.8176.8000112.7
455V90.4Very high93.4Very high45 Ų4537.7 Ų37.727%0.27320%0.196SC..SBendtrans-136.9157179.3-63.20000109.4Q428 Y430 L453 P457Q428-V455 HydrophobicContact CB-CG1 4.43Å; Y430-V455 HydrophobicContact CD1-CG2 4.45Å; Y430-V455 HydrophobicContact CE1-CG2 3.84Å; L453-V455 VanDerWaalsContact CB-O 3.23Å; L453-V455 WeakPolarHBondContact CB-O 3.17Å; L453-V455 PolarHBondContact O-N 3.34Å; V455-P457 WeakPolarHBondContact O-CD 3.42Å
456R91.4Very high92.5Very high126 Ų12638.8 Ų38.848%0.47520%0.203SC..  trans-9695168.9-71.2-176.9173.8-134.3-17.6108.5D449 N713 Q714D449-R456 IonicContact OD1-CZ 2.82Å; D449-R456 IonicContact OD1-NH1 2.88Å; D449-R456 PolarHBondContact OD1-NH1 2.96Å; D449-R456 IonicContact OD1-NH2 3.48Å; D449-R456 PolarHBondContact OD1-NH2 2.79Å; R456-N713 PolarHBondContact NH1-ND2 3.32Å; R456-Q714 PolarHBondContact NH1-O 3.09Å
457P95.4Very high91.8Very high6 Ų638.2 Ų38.24%0.03921%0.207CC..  trans-65.7146.8-176.730.7-39.3000110.9Y430 I432 V455Y430-P457 HydrophobicContact CD1-CB 4.38Å; Y430-P457 HydrophobicContact CD2-CB 3.96Å; Y430-P457 HydrophobicContact CD2-CG 4.39Å; Y430-P457 HydrophobicContact CE1-CB 4.08Å; Y430-P457 HydrophobicContact CE1-CG 4.3Å; Y430-P457 HydrophobicContact CE2-CB 3.65Å; Y430-P457 HydrophobicContact CE2-CG 3.59Å; Y430-P457 HydrophobicContact CG-CB 4.34Å; Y430-P457 WeakPolarHBondContact O-CB 3.48Å; I432-P457 HydrophobicContact CD1-CB 4.32Å; I432-P457 HydrophobicContact CD1-CG 3.44Å; I432-P457 VanDerWaalsContact CD1-CG 3.44Å; I432-P457 HydrophobicContact CG1-CB 4.23Å; I432-P457 HydrophobicContact CG1-CG 3.88Å; V455-P457 WeakPolarHBondContact O-CD 3.42Å
458P97.9Very high91.5Very high12 Ų1237.5 Ų37.58%0.07820%0.201CC..  trans-71.6140.9177.732.8-38.2000111.5R431 I432 Q497 C716 L718R431-P458 HydrophobicContact CG-CG 4.02Å; I432-P458 PolarHBondContact N-O 2.84Å; P458-Q497 HydrophobicContact CB-CG 4.13Å; P458-C716 CarbonylContact C-O 3.55Å; P458-C716 VanDerWaalsContact CA-O 3.3Å; P458-C716 WeakPolarHBondContact CA-O 3.28Å; P458-C716 HydrophobicContact CB-CB 4.38Å; P458-L718 HydrophobicContact CB-CD1 4.39Å; P458-L718 HydrophobicContact CB-CD2 3.57Å; P458-L718 HydrophobicContact CB-CG 3.82Å; P458-L718 HydrophobicContact CG-CD2 4Å; P458-L718 HydrophobicContact CG-CG 4.38Å
459V98.7Very high91.3Very high1 Ų137 Ų371%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-111.5121.7-172.5-174.20000112I432 V434 L445 I448 C716 M717 L718I432-V459 HydrophobicContact CB-CG2 4.24Å; I432-V459 HydrophobicContact CG2-CG1 4.31Å; I432-V459 CarbonylContact O-C 3.45Å; I432-V459 WeakPolarHBondContact O-CA 3.38Å; V434-V459 HydrophobicContact CG2-CG1 3.73Å; L445-V459 HydrophobicContact CD2-CG2 4.06Å; I448-V459 HydrophobicContact CD1-CG2 3.94Å; V459-C716 PolarHBondContact N-O 2.76Å; V459-M717 HydrophobicContact CB-CE 4.13Å; V459-M717 HydrophobicContact CB-SD 3.99Å; V459-M717 HydrophobicContact CG1-CE 4.3Å; V459-M717 CarbonylContact O-C 3.59Å; V459-M717 WeakPolarHBondContact O-CA 3.27Å; V459-L718 PolarHBondContact O-N 2.93Å
460A98.4Very high91.2Very high0 Ų035.3 Ų35.30%019%0.189CC..EExtended strand (participates in β ladder)trans-95.9158.2166.900000111.6I432 L433 V434 W476 I492 L718I432-A460 PolarHBondContact O-N 2.93Å; L433-A460 HydrophobicContact CD1-CB 3.89Å; V434-A460 PolarHBondContact N-O 3.37Å; A460-W476 HydrophobicContact CB-CH2 4.27Å; A460-W476 HydrophobicContact CB-CZ2 3.69Å; A460-I492 HydrophobicContact CB-CD1 4.23Å; A460-I492 HydrophobicContact CB-CG1 4.01Å; A460-L718 HydrophobicContact CB-CB 4.01Å; A460-L718 HydrophobicContact CB-CD1 3.9Å; A460-L718 HydrophobicContact CB-CG 4.46Å
461V97.6Very high91.3Very high2 Ų228 Ų281%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-123.1129-179.1-175.60000110.5V434 V441 A471 L474 W476 M717V434-V461 WeakPolarHBondContact O-CA 3.33Å; V441-V461 HydrophobicContact CG1-CG2 4.17Å; V441-V461 HydrophobicContact CG2-CB 4.47Å; V441-V461 HydrophobicContact CG2-CG1 3.8Å; V441-V461 HydrophobicContact CG2-CG2 3.82Å; V461-A471 HydrophobicContact CB-CB 4.29Å; V461-A471 HydrophobicContact CG1-CB 3.87Å; V461-L474 HydrophobicContact CG2-CD1 4.46Å; V461-W476 WeakPolarHBondContact O-CB 3.28Å; V461-M717 HydrophobicContact CG2-CE 4.38Å
462L97.4Very high91.3Very high1 Ų129 Ų291%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-100.5109.7162.9-176.874.7000108.6V396 F400 L433 V434 C435 G436 L464 Y480 L485 I488V396-L462 HydrophobicContact CG1-CD2 3.71Å; V396-L462 HydrophobicContact CG2-CD2 4.05Å; F400-L462 HydrophobicContact CE2-CD2 4.28Å; L433-L462 HydrophobicContact CD1-CB 4.14Å; V434-L462 PolarHBondContact O-N 2.61Å; C435-L462 HydrophobicContact CB-CB 4.15Å; C435-L462 HydrophobicContact CB-CD2 4.08Å; G436-L462 PolarHBondContact N-O 3.22Å; L462-L464 HydrophobicContact CD2-CD2 4.28Å; L462-L464 HydrophobicContact CG-CD2 4.44Å; L462-L464 PolarHBondContact O-N 3.34Å; L462-Y480 HydrophobicContact CD1-CD2 3.79Å; L462-Y480 HydrophobicContact CD1-CE2 4.43Å; L462-Y480 HydrophobicContact CD1-CG 4.25Å; L462-Y480 HydrophobicContact CG-CD2 4.47Å; L462-Y480 HydrophobicContact CG-CG 4.5Å; L462-L485 HydrophobicContact CD1-CD2 4.47Å; L462-L485 HydrophobicContact CD2-CD2 4.11Å; L462-I488 HydrophobicContact CD1-CD1 4.28Å; L462-I488 HydrophobicContact CD1-CG1 4.07Å; L462-I488 HydrophobicContact CD1-CG2 4.25Å
463P95Very high91.5Very high2 Ų223.3 Ų23.31%0.01313%0.125CC..EExtended strand (participates in β ladder)trans-75.795.3-168.627.9-34000112.5N468 A471 G479 Y480P463-N468 HydrophobicContact CB-CB 3.72Å; P463-N468 VanDerWaalsContact CB-CG 3.49Å; P463-A471 HydrophobicContact CB-CB 3.7Å; P463-A471 HydrophobicContact CG-CB 4.2Å; P463-G479 CarbonylContact O-C 3.54Å; P463-G479 VanDerWaalsContact O-CA 3.32Å; P463-G479 WeakPolarHBondContact O-CA 3.41Å; P463-Y480 PolarHBondContact O-N 3.18Å
464L91Very high91.6Very high0 Ų022.1 Ų22.10%012%0.118CC..  trans-96.9-12.5175.2-60-175.6000112.8G389 Q392 V396 C435 G436 L462 Y480G389-L464 WeakPolarHBondContact CA-O 3.37Å; G389-L464 PolarHBondContact N-O 3.49Å; Q392-L464 HydrophobicContact CB-CD2 4.38Å; V396-L464 HydrophobicContact CG2-CD2 4.28Å; C435-L464 HydrophobicContact CB-CD1 3.89Å; C435-L464 HydrophobicContact CB-CG 4.48Å; G436-L464 PolarHBondContact O-N 3.46Å; L462-L464 HydrophobicContact CD2-CD2 4.28Å; L462-L464 HydrophobicContact CG-CD2 4.44Å; L462-L464 PolarHBondContact O-N 3.34Å; L464-Y480 HydrophobicContact CD2-CD1 3.78Å; L464-Y480 HydrophobicContact CD2-CG 4.08Å
465G84.6Confident91.9Very high12 Ų1223 Ų2312%0.12411%0.113CC..SBendtrans-72.9-174.7179.300000114.3G436 N468 R554G436-G465 PolarHBondContact O-N 2.72Å; G465-N468 VanDerWaalsContact C-ND2 3.31Å; G465-N468 WeakPolarHBondContact CA-OD1 3.49Å; G465-N468 PolarHBondContact N-OD1 3.07Å; G465-N468 PolarHBondContact O-ND2 2.85Å; G465-R554 WeakPolarHBondContact O-CD 3.22Å
466T78.9Confident92.1Very high29 Ų2921.9 Ų21.918%0.17810%0.104CC..SBendtrans-93.4-44.4173.3-56.40000111.6R554 N557 K558T466-R554 HydrophobicContact CG2-CB 4.41Å; T466-N557 HydrophobicContact CG2-CB 3.6Å; T466-N557 PolarHBondContact OG1-ND2 3.3Å; T466-N557 VanDerWaalsContact OG1-ND2 3.08Å; T466-K558 HydrophobicContact CG2-CG 4.01Å
467G78.8Confident92Very high27 Ų2717.4 Ų17.428%0.27810%0.097SC..  trans-65.3-76.5176.300000110.5R472 G610G467-R472 VanDerWaalsContact O-CZ 3.32Å; G467-R472 PolarHBondContact O-NH1 3.16Å; G467-R472 PolarHBondContact O-NH2 2.71Å; G467-G610 WeakPolarHBondContact O-CA 3.48Å
468N89.1Confident91.5Very high1 Ų118.6 Ų18.61%0.00511%0.111CC..  trans57.240.6179.5-49.6-42.3000113.4D438 P463 G465 A471 R472 G478D438-N468 WeakPolarHBondContact OD2-CA 3.42Å; D438-N468 PolarHBondContact OD2-N 3.02Å; P463-N468 HydrophobicContact CB-CB 3.72Å; P463-N468 VanDerWaalsContact CB-CG 3.49Å; G465-N468 VanDerWaalsContact C-ND2 3.31Å; G465-N468 WeakPolarHBondContact CA-OD1 3.49Å; G465-N468 PolarHBondContact N-OD1 3.07Å; G465-N468 PolarHBondContact O-ND2 2.85Å; N468-A471 HydrophobicContact CB-CB 4.1Å; N468-R472 VanDerWaalsContact C-NH1 3.28Å; N468-R472 PolarHBondContact O-N 2.91Å; N468-R472 VanDerWaalsContact O-N 3.15Å; N468-R472 PolarHBondContact O-NH1 2.83Å; N468-G478 PolarHBondContact ND2-O 3.28Å
469D90.9Very high91.1Very high4 Ų419.1 Ų19.12%0.02112%0.118CC..Hα-helixtrans-67.8-41.6-177.8-75.6-66.4000111.5D438 A471 R472 C473 Y527 I605 S607 M608 H609 G610 G611D438-D469 PolarHBondContact OD1-N 3.26Å; D438-D469 PolarHBondContact OD2-N 2.99Å; D469-A471 VanDerWaalsContact C-N 3.35Å; D469-A471 PolarHBondContact O-N 3.31Å; D469-R472 PolarHBondContact O-N 2.84Å; D469-C473 PolarHBondContact O-N 3.41Å; D469-Y527 HydrophobicContact CB-CE1 4.49Å; D469-I605 HydrophobicContact CB-CD1 3.99Å; D469-S607 PolarHBondContact OD1-OG 2.92Å; D469-M608 WeakPolarHBondContact OD1-CA 3.39Å; D469-H609 PolarHBondContact OD1-N 3.44Å; D469-H609 PolarHBondContact OD2-N 3.08Å; D469-G610 WeakPolarHBondContact OD1-CA 3.45Å; D469-G610 PolarHBondContact OD1-N 2.7Å; D469-G610 PolarHBondContact OD2-N 2.7Å; D469-G611 PolarHBondContact OD1-N 2.67Å
470L92.8Very high90.6Very high3 Ų320.1 Ų20.12%0.01612%0.122CC..Hα-helixtrans-62.5-43.8176.2-177.452000111.7D438 V441 R472 C473 L474 M500 N526 I605 M717D438-L470 WeakPolarHBondContact OD1-CB 3.26Å; D438-L470 PolarHBondContact OD1-N 2.82Å; V441-L470 HydrophobicContact CB-CD2 4.23Å; V441-L470 HydrophobicContact CG1-CD2 3.64Å; L470-R472 VanDerWaalsContact C-N 3.31Å; L470-R472 PolarHBondContact O-N 2.83Å; L470-C473 WeakPolarHBondContact O-CB 3.38Å; L470-C473 PolarHBondContact O-N 2.96Å; L470-L474 HydrophobicContact CD1-CD1 3.86Å; L470-L474 HydrophobicContact CD1-CG 4.18Å; L470-L474 HydrophobicContact CG-CD1 4.02Å; L470-L474 WeakPolarHBondContact O-CB 3.28Å; L470-L474 WeakPolarHBondContact O-CG 3.28Å; L470-L474 PolarHBondContact O-N 3.24Å; L470-M500 HydrophobicContact CD1-CE 4.49Å; L470-M500 HydrophobicContact CD1-SD 3.39Å; L470-M500 WeakPolarHBondContact CD1-SD 3.41Å; L470-M500 HydrophobicContact CD2-CE 4.45Å; L470-M500 HydrophobicContact CD2-SD 4.34Å; L470-N526 WeakPolarHBondContact CB-OD1 3.28Å; L470-I605 HydrophobicContact CD1-CG2 4.43Å; L470-M717 HydrophobicContact CD2-CE 4.14Å
471A94.1Very high89.8Confident0 Ų026.5 Ų26.50%016%0.156CC..Hα-helixtrans-62.9-37.6179.100000112.2V461 P463 N468 D469 L474 R475 W476V461-A471 HydrophobicContact CB-CB 4.29Å; V461-A471 HydrophobicContact CG1-CB 3.87Å; P463-A471 HydrophobicContact CB-CB 3.7Å; P463-A471 HydrophobicContact CG-CB 4.2Å; N468-A471 HydrophobicContact CB-CB 4.1Å; D469-A471 VanDerWaalsContact C-N 3.35Å; D469-A471 PolarHBondContact O-N 3.31Å; A471-L474 CarbonylContact O-C 3.59Å; A471-L474 PolarHBondContact O-N 2.76Å; A471-R475 PolarHBondContact O-N 3.31Å; A471-R475 VanDerWaalsContact O-N 3.11Å; A471-W476 HydrophobicContact CB-CB 4.14Å; A471-W476 PolarHBondContact O-N 3.24Å
472R90.9Very high89.1Confident54 Ų5428.9 Ų28.920%0.20418%0.182CC..Hα-helixtrans-66.9-44.8175-78179.1-172.675.6-19.1112.1G467 N468 D469 L470 L474 R475 G610G467-R472 VanDerWaalsContact O-CZ 3.32Å; G467-R472 PolarHBondContact O-NH1 3.16Å; G467-R472 PolarHBondContact O-NH2 2.71Å; N468-R472 VanDerWaalsContact C-NH1 3.28Å; N468-R472 PolarHBondContact O-N 2.91Å; N468-R472 VanDerWaalsContact O-N 3.15Å; N468-R472 PolarHBondContact O-NH1 2.83Å; D469-R472 PolarHBondContact O-N 2.84Å; L470-R472 VanDerWaalsContact C-N 3.31Å; L470-R472 PolarHBondContact O-N 2.83Å; R472-L474 PolarHBondContact O-N 3.23Å; R472-R475 PolarHBondContact O-N 3.29Å; R472-G610 PolarHBondContact NE-O 3.31Å; R472-G610 VanDerWaalsContact NH2-C 3.35Å; R472-G610 PolarHBondContact NH2-O 2.85Å
473C90.4Very high88.6Confident19 Ų1932 Ų3213%0.12820%0.196CC..Hα-helixtrans-55.9-43.1175.4-179.20000111.2D469 L470 R475 I605 P606D469-C473 PolarHBondContact O-N 3.41Å; L470-C473 WeakPolarHBondContact O-CB 3.38Å; L470-C473 PolarHBondContact O-N 2.96Å; C473-R475 PolarHBondContact O-N 3.3Å; C473-I605 HydrophobicContact CB-CB 4.38Å; C473-I605 HydrophobicContact CB-CD1 4.42Å; C473-P606 VanDerWaalsContact SG-CD 3.58Å
474L93.3Very high88.4Confident0 Ų036.3 Ų36.30%022%0.219CC..THydrogen-bonded Turntrans-82.710.1176.9-64.3174.5000114.3V461 L470 A471 R472 W476 V498 M717 M719 A720V461-L474 HydrophobicContact CG2-CD1 4.46Å; L470-L474 HydrophobicContact CD1-CD1 3.86Å; L470-L474 HydrophobicContact CD1-CG 4.18Å; L470-L474 HydrophobicContact CG-CD1 4.02Å; L470-L474 WeakPolarHBondContact O-CB 3.28Å; L470-L474 WeakPolarHBondContact O-CG 3.28Å; L470-L474 PolarHBondContact O-N 3.24Å; A471-L474 CarbonylContact O-C 3.59Å; A471-L474 PolarHBondContact O-N 2.76Å; R472-L474 PolarHBondContact O-N 3.23Å; L474-W476 PolarHBondContact O-N 3.01Å; L474-V498 HydrophobicContact CD2-CG2 3.67Å; L474-M717 HydrophobicContact CD1-CB 3.94Å; L474-M717 HydrophobicContact CD1-CE 3.64Å; L474-M717 HydrophobicContact CD1-CG 4.35Å; L474-M717 HydrophobicContact CD2-CB 3.94Å; L474-M719 HydrophobicContact CD2-CB 4.42Å; L474-M719 HydrophobicContact CD2-CE 4.38Å; L474-M719 CarbonylContact O-C 3.57Å; L474-M719 WeakPolarHBondContact O-CA 3.31Å; L474-A720 PolarHBondContact O-N 2.78Å
475R93.1Very high88.5Confident139 Ų13936.4 Ų36.453%0.52522%0.219SC..THydrogen-bonded Turntrans64.514.2176.9-54.5177.1-178.2160.33.4116.3A471 R472 C473 G477 M719 A720A471-R475 PolarHBondContact O-N 3.31Å; A471-R475 VanDerWaalsContact O-N 3.11Å; R472-R475 PolarHBondContact O-N 3.29Å; C473-R475 PolarHBondContact O-N 3.3Å; R475-G477 PolarHBondContact O-N 3.43Å; R475-M719 HydrophobicContact CG-CG 4.22Å; R475-A720 HydrophobicContact CB-CB 3.99Å; R475-A720 WeakPolarHBondContact O-CB 3.01Å
476W93.8Very high89Confident22 Ų2236.1 Ų36.18%0.08322%0.216CC..SBendtrans-75.4-8172-64.1108.2000113.5A460 V461 A471 L474 I488 D491 I492 L718 A720A460-W476 HydrophobicContact CB-CH2 4.27Å; A460-W476 HydrophobicContact CB-CZ2 3.69Å; V461-W476 WeakPolarHBondContact O-CB 3.28Å; A471-W476 HydrophobicContact CB-CB 4.14Å; A471-W476 PolarHBondContact O-N 3.24Å; L474-W476 PolarHBondContact O-N 3.01Å; W476-I488 HydrophobicContact CZ3-CG2 4.43Å; W476-D491 HydrophobicContact CH2-CB 4.4Å; W476-D491 HydrophobicContact CZ3-CB 3.97Å; W476-I492 HydrophobicContact CH2-CB 4.32Å; W476-I492 HydrophobicContact CH2-CG1 3.51Å; W476-I492 HydrophobicContact CZ2-CG1 4.28Å; W476-I492 HydrophobicContact CZ3-CG1 4.05Å; W476-L718 HydrophobicContact CZ2-CB 4.13Å; W476-L718 PolarHBondContact NE1-O 3.07Å; W476-A720 HydrophobicContact CD2-CB 3.79Å; W476-A720 HydrophobicContact CE3-CB 3.81Å; W476-A720 HydrophobicContact CG-CB 4.35Å; W476-A720 HydrophobicContact CH2-CB 4.05Å; W476-A720 HydrophobicContact CZ2-CB 4.06Å; W476-A720 HydrophobicContact CZ3-CB 3.94Å
477G90.4Very high89.7Confident32 Ų3241.2 Ų41.233%0.3323%0.232SC..  trans93178.1174.100000114R475R475-G477 PolarHBondContact O-N 3.43Å
478G85.4Confident90.5Very high31 Ų3140.2 Ų40.232%0.3222%0.221SC..SBendtrans-85.5-9.7-171.500000115.5N468N468-G478 PolarHBondContact ND2-O 3.28Å
479G87.8Confident90.8Very high23 Ų2340.2 Ų40.224%0.23722%0.221CC..  trans166.4136.5-177.600000113P463P463-G479 CarbonylContact O-C 3.54Å; P463-G479 VanDerWaalsContact O-CA 3.32Å; P463-G479 WeakPolarHBondContact O-CA 3.41Å
480Y88.8Confident91.1Very high21 Ų2145.5 Ų45.58%0.08224%0.24CC..  trans-68.6135.3172.1178.9-108.7000110.7Q392 V396 L462 P463 L464 G482 E483 L485 R554Q392-Y480 PolarHBondContact OE1-O 2.87Å; V396-Y480 HydrophobicContact CG2-CD1 4.12Å; V396-Y480 HydrophobicContact CG2-CE1 3.64Å; L462-Y480 HydrophobicContact CD1-CD2 3.79Å; L462-Y480 HydrophobicContact CD1-CE2 4.43Å; L462-Y480 HydrophobicContact CD1-CG 4.25Å; L462-Y480 HydrophobicContact CG-CD2 4.47Å; L462-Y480 HydrophobicContact CG-CG 4.5Å; P463-Y480 PolarHBondContact O-N 3.18Å; L464-Y480 HydrophobicContact CD2-CD1 3.78Å; L464-Y480 HydrophobicContact CD2-CG 4.08Å; Y480-G482 VanDerWaalsContact CZ-CA 3.49Å; Y480-E483 HydrophobicContact CD2-CG 3.66Å; Y480-E483 HydrophobicContact CE2-CB 4.45Å; Y480-E483 HydrophobicContact CE2-CG 3.52Å; Y480-E483 WeakPolarHBondContact CE2-O 3.37Å; Y480-E483 PolarHBondContact OH-O 3.31Å; Y480-E483 VanDerWaalsContact OH-O 3.04Å; Y480-L485 HydrophobicContact CD2-CD2 4.41Å; Y480-L485 HydrophobicContact CE2-CD2 3.51Å; Y480-R554 VanDerWaalsContact N-NH1 3.16Å; Y480-R554 VanDerWaalsContact O-CZ 3.22Å; Y480-R554 PolarHBondContact O-NH1 3Å; Y480-R554 PolarHBondContact O-NH2 3.31Å
481D82.6Confident91.2Very high134 Ų13447.3 Ų47.372%0.71725%0.25SS*.  trans-131.842.4179.7-159.535.8000111.6E483 R554D481-E483 PolarHBondContact O-N 3.45Å; D481-R554 IonicContact OD1-NH2 3.72Å
482G82.2Confident91.4Very high53 Ų5347.3 Ų47.355%0.54625%0.25SS..SBendtrans76.318176.600000115.4Y480Y480-G482 VanDerWaalsContact CZ-CA 3.49Å
483E86.6Confident91.6Very high67 Ų6749.1 Ų49.131%0.31326%0.261SS..  trans-61.1161.4173.963.9-170135.100112.6Y480 D481 L485 I488Y480-E483 HydrophobicContact CD2-CG 3.66Å; Y480-E483 HydrophobicContact CE2-CB 4.45Å; Y480-E483 HydrophobicContact CE2-CG 3.52Å; Y480-E483 WeakPolarHBondContact CE2-O 3.37Å; Y480-E483 PolarHBondContact OH-O 3.31Å; Y480-E483 VanDerWaalsContact OH-O 3.04Å; D481-E483 PolarHBondContact O-N 3.45Å; E483-L485 PolarHBondContact O-N 2.98Å; E483-L485 VanDerWaalsContact O-N 3.08Å; E483-I488 HydrophobicContact CG-CD1 4.4Å
484D90.3Very high91.9Very high91 Ų9153.4 Ų53.449%0.48728%0.282SS..  trans-64.5113.7-179.8178.126.1000111.1G486 R487D484-G486 PolarHBondContact O-N 3.47Å; D484-G486 VanDerWaalsContact O-N 3.08Å; D484-G486 PolarHBondContact OD1-N 2.84Å; D484-R487 WeakPolarHBondContact O-CA 3.12Å; D484-R487 WeakPolarHBondContact O-CB 3.46Å; D484-R487 PolarHBondContact O-N 3.28Å
485L94.9Very high92.1Very high2 Ų254.6 Ų54.61%0.0129%0.29CS..Hα-helixtrans-58.5-22.5175.6-62.8-174.9000112.9V396 K399 F400 L403 L462 Y480 E483 R487 I488 L489V396-L485 HydrophobicContact CG1-CD1 4.35Å; K399-L485 HydrophobicContact CB-CD1 3.67Å; K399-L485 HydrophobicContact CG-CB 4.47Å; K399-L485 HydrophobicContact CG-CD1 3.49Å; K399-L485 VanDerWaalsContact CG-CD1 3.49Å; K399-L485 HydrophobicContact CG-CG 4.2Å; F400-L485 HydrophobicContact CD1-CD1 4.37Å; F400-L485 HydrophobicContact CD2-CD1 4.02Å; F400-L485 HydrophobicContact CE1-CB 4.23Å; F400-L485 HydrophobicContact CE1-CD1 4.12Å; F400-L485 HydrophobicContact CE2-CD1 3.78Å; F400-L485 HydrophobicContact CE2-CD2 4.36Å; F400-L485 HydrophobicContact CG-CD1 4.3Å; F400-L485 HydrophobicContact CZ-CB 4.27Å; F400-L485 HydrophobicContact CZ-CD1 3.82Å; F400-L485 HydrophobicContact CZ-CD2 4.1Å; F400-L485 HydrophobicContact CZ-CG 4.3Å; L403-L485 HydrophobicContact CD1-CB 3.81Å; L462-L485 HydrophobicContact CD1-CD2 4.47Å; L462-L485 HydrophobicContact CD2-CD2 4.11Å; Y480-L485 HydrophobicContact CD2-CD2 4.41Å; Y480-L485 HydrophobicContact CE2-CD2 3.51Å; E483-L485 PolarHBondContact O-N 2.98Å; E483-L485 VanDerWaalsContact O-N 3.08Å; L485-R487 PolarHBondContact O-N 2.87Å; L485-I488 HydrophobicContact CD2-CG1 4.36Å; L485-I488 PolarHBondContact O-N 2.96Å; L485-L489 WeakPolarHBondContact O-CG 3.26Å; L485-L489 PolarHBondContact O-N 3.4Å
486G94.1Very high92.3Very high6 Ų650.9 Ų50.96%0.06229%0.286CS..Hα-helixtrans-62-29.3170.400000113.2D484 R490D484-G486 PolarHBondContact O-N 3.47Å; D484-G486 VanDerWaalsContact O-N 3.08Å; D484-G486 PolarHBondContact OD1-N 2.84Å; G486-R490 WeakPolarHBondContact O-CG 3.14Å; G486-R490 PolarHBondContact O-N 2.73Å; G486-R490 PolarHBondContact O-NH1 2.88Å
487R93.2Very high92.4Very high136 Ų13656.1 Ų56.151%0.51331%0.311SS..Hα-helixtrans-69.3-45.6171.5-174.1-174.7177179.21.8111.1D484 L485 L489 R490 D491D484-R487 WeakPolarHBondContact O-CA 3.12Å; D484-R487 WeakPolarHBondContact O-CB 3.46Å; D484-R487 PolarHBondContact O-N 3.28Å; L485-R487 PolarHBondContact O-N 2.87Å; R487-L489 VanDerWaalsContact C-N 3.31Å; R487-L489 PolarHBondContact O-N 2.79Å; R487-R490 VanDerWaalsContact CA-NH2 3.32Å; R487-R490 WeakPolarHBondContact O-CB 3.38Å; R487-R490 PolarHBondContact O-N 3.03Å; R487-R490 VanDerWaalsContact O-N 3.09Å; R487-D491 IonicContact NE-OD2 2.7Å; R487-D491 PolarHBondContact O-N 3.38Å
488I95.1Very high92.6Very high7 Ų756.1 Ų56.14%0.03631%0.305CS..Hα-helixtrans-58.6-43.8177.3-56.9-58.9000111L462 W476 E483 L485 R490 D491 I492L462-I488 HydrophobicContact CD1-CD1 4.28Å; L462-I488 HydrophobicContact CD1-CG1 4.07Å; L462-I488 HydrophobicContact CD1-CG2 4.25Å; W476-I488 HydrophobicContact CZ3-CG2 4.43Å; E483-I488 HydrophobicContact CG-CD1 4.4Å; L485-I488 HydrophobicContact CD2-CG1 4.36Å; L485-I488 PolarHBondContact O-N 2.96Å; I488-R490 VanDerWaalsContact C-N 3.33Å; I488-R490 PolarHBondContact O-N 2.82Å; I488-D491 PolarHBondContact O-N 3.31Å; I488-D491 VanDerWaalsContact O-N 3.14Å; I488-I492 HydrophobicContact CG2-CD1 4.16Å; I488-I492 WeakPolarHBondContact O-CG1 3.25Å; I488-I492 PolarHBondContact O-N 3.25Å
489L96.9Very high93.2Very high1 Ų158.6 Ų58.61%0.00531%0.31CS..Hα-helixtrans-60.3-40.5175.9-68.5173.8000112.3L326 H329 L380 F400 L403 L404 L485 R487 I492 E493L326-L489 HydrophobicContact CD1-CD1 4.06Å; L326-L489 HydrophobicContact CD2-CB 4.23Å; L326-L489 HydrophobicContact CD2-CD1 3.75Å; H329-L489 HydrophobicContact CB-CD2 4.44Å; H329-L489 PolarHBondContact CE1-O 2.75Å; H329-L489 PolarHBondContact NE2-O 3.39Å; L380-L489 HydrophobicContact CD2-CD2 3.42Å; L380-L489 VanDerWaalsContact CD2-CD2 3.42Å; F400-L489 HydrophobicContact CE1-CD1 4.45Å; F400-L489 HydrophobicContact CE1-CD2 4Å; F400-L489 HydrophobicContact CE1-CG 4.24Å; L403-L489 HydrophobicContact CB-CD1 4.45Å; L403-L489 HydrophobicContact CD1-CD1 4.21Å; L404-L489 HydrophobicContact CD2-CD1 4.43Å; L485-L489 WeakPolarHBondContact O-CG 3.26Å; L485-L489 PolarHBondContact O-N 3.4Å; R487-L489 VanDerWaalsContact C-N 3.31Å; R487-L489 PolarHBondContact O-N 2.79Å; L489-I492 PolarHBondContact O-N 3.09Å; L489-E493 PolarHBondContact O-N 3.01Å; L489-E493 VanDerWaalsContact O-N 3.12Å
490R95.9Very high93.6Very high115 Ų11557.5 Ų57.543%0.43430%0.299SS..Hα-helixtrans-66.6-38.3173.6-72.1-174.8-62.9-90.12.2112.3G486 R487 I488 I492 E493 N494G486-R490 WeakPolarHBondContact O-CG 3.14Å; G486-R490 PolarHBondContact O-N 2.73Å; G486-R490 PolarHBondContact O-NH1 2.88Å; R487-R490 VanDerWaalsContact CA-NH2 3.32Å; R487-R490 WeakPolarHBondContact O-CB 3.38Å; R487-R490 PolarHBondContact O-N 3.03Å; R487-R490 VanDerWaalsContact O-N 3.09Å; I488-R490 VanDerWaalsContact C-N 3.33Å; I488-R490 PolarHBondContact O-N 2.82Å; R490-I492 VanDerWaalsContact C-N 3.3Å; R490-I492 PolarHBondContact O-N 2.91Å; R490-E493 WeakPolarHBondContact O-CB 3.35Å; R490-E493 PolarHBondContact O-N 2.98Å; R490-N494 PolarHBondContact O-N 3.01Å; R490-N494 PolarHBondContact O-ND2 3.43Å
491D96.2Very high94Very high41 Ų4156.5 Ų56.522%0.21930%0.295CS..Hα-helixtrans-68.1-32.9178.7-67.8-18.4000111W476 R487 I488 N494 S495 P721W476-D491 HydrophobicContact CH2-CB 4.4Å; W476-D491 HydrophobicContact CZ3-CB 3.97Å; R487-D491 IonicContact NE-OD2 2.7Å; R487-D491 PolarHBondContact O-N 3.38Å; I488-D491 PolarHBondContact O-N 3.31Å; I488-D491 VanDerWaalsContact O-N 3.14Å; D491-N494 CarbonylContact O-C 3.57Å; D491-N494 PolarHBondContact O-N 3.4Å; D491-S495 WeakPolarHBondContact O-CB 3.46Å; D491-S495 PolarHBondContact O-N 3.35Å; D491-P721 HydrophobicContact CB-CG 4.14Å; D491-P721 WeakPolarHBondContact O-CD 3.41Å
492I97.6Very high94.7Very high0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-64.1-44.8170.3-67.6167.6000111.2L380 L433 A460 W476 I488 L489 R490 N494 S495 L718L380-I492 HydrophobicContact CD1-CG2 4.41Å; L380-I492 HydrophobicContact CD2-CD1 4.1Å; L433-I492 HydrophobicContact CB-CD1 4.43Å; L433-I492 HydrophobicContact CD1-CD1 4.02Å; L433-I492 HydrophobicContact CD2-CD1 4.02Å; L433-I492 HydrophobicContact CG-CD1 4.39Å; A460-I492 HydrophobicContact CB-CD1 4.23Å; A460-I492 HydrophobicContact CB-CG1 4.01Å; W476-I492 HydrophobicContact CH2-CB 4.32Å; W476-I492 HydrophobicContact CH2-CG1 3.51Å; W476-I492 HydrophobicContact CZ2-CG1 4.28Å; W476-I492 HydrophobicContact CZ3-CG1 4.05Å; I488-I492 HydrophobicContact CG2-CD1 4.16Å; I488-I492 WeakPolarHBondContact O-CG1 3.25Å; I488-I492 PolarHBondContact O-N 3.25Å; L489-I492 PolarHBondContact O-N 3.09Å; R490-I492 VanDerWaalsContact C-N 3.3Å; R490-I492 PolarHBondContact O-N 2.91Å; I492-N494 VanDerWaalsContact C-N 3.25Å; I492-N494 PolarHBondContact O-N 2.82Å; I492-S495 WeakPolarHBondContact O-CB 3.44Å; I492-S495 PolarHBondContact O-N 2.96Å; I492-S495 PolarHBondContact O-OG 2.81Å; I492-L718 HydrophobicContact CG2-CD1 4.04Å
493E95.8Very high95.5Very high92 Ų9247.7 Ų47.743%0.4324%0.236SC..Hα-helixtrans-60.9-36.1177.2-173.7-178.6171.800112.2L489 R490L489-E493 PolarHBondContact O-N 3.01Å; L489-E493 VanDerWaalsContact O-N 3.12Å; R490-E493 WeakPolarHBondContact O-CB 3.35Å; R490-E493 PolarHBondContact O-N 2.98Å
494N96.1Very high96Very high109 Ų10946 Ų4658%0.58323%0.231SC*.THydrogen-bonded Turntrans-93.99.2179.9-65-70.9000113.8R490 D491 I492 P721R490-N494 PolarHBondContact O-N 3.01Å; R490-N494 PolarHBondContact O-ND2 3.43Å; D491-N494 CarbonylContact O-C 3.57Å; D491-N494 PolarHBondContact O-N 3.4Å; I492-N494 VanDerWaalsContact C-N 3.25Å; I492-N494 PolarHBondContact O-N 2.82Å; N494-P721 HydrophobicContact CB-CG 4.39Å
495S97.3Very high96.3Very high24 Ų2441.9 Ų41.917%0.16821%0.209CC..PPolyproline II helixtrans-78.2156.5-177.9660000112D491 I492 L718 M719D491-S495 WeakPolarHBondContact O-CB 3.46Å; D491-S495 PolarHBondContact O-N 3.35Å; I492-S495 WeakPolarHBondContact O-CB 3.44Å; I492-S495 PolarHBondContact O-N 2.96Å; I492-S495 PolarHBondContact O-OG 2.81Å; S495-L718 WeakPolarHBondContact OG-CD2 3.36Å; S495-M719 WeakPolarHBondContact CA-O 3.3Å; S495-M719 WeakPolarHBondContact CB-O 3.42Å
496S96.6Very high96.3Very high62 Ų6247 Ų4743%0.43423%0.233SC..EExtended strand (participates in β ladder)trans-102.7142.1171.956.10000110.5M719S496-M719 PolarHBondContact N-O 3.29Å; S496-M719 VanDerWaalsContact N-O 3.08Å; S496-M719 PolarHBondContact O-N 3.29Å
497Q96.4Very high96.3Very high131 Ų13148.2 Ų48.261%0.61224%0.239SC*.EExtended strand (participates in β ladder)trans-75.4135.8172.1-64.5-178.824.500110.1P458 M717 L718P458-Q497 HydrophobicContact CB-CG 4.13Å; Q497-M717 CarbonylContact C-O 3.52Å; Q497-M717 WeakPolarHBondContact CA-O 3.43Å; Q497-L718 HydrophobicContact CG-CD2 3.82Å
498V95.8Very high96.3Very high32 Ų3245.2 Ų45.219%0.19423%0.233CC..EExtended strand (participates in β ladder)trans-131.7145.9171.8-60.40000108.8L474 L648 M717 M719L474-V498 HydrophobicContact CD2-CG2 3.67Å; V498-L648 HydrophobicContact CG2-CD1 4.26Å; V498-M717 HydrophobicContact CG2-CB 3.99Å; V498-M717 PolarHBondContact N-O 3.39Å; V498-M717 PolarHBondContact O-N 3.03Å; V498-M719 HydrophobicContact CG1-CB 4.05Å; V498-M719 HydrophobicContact CG1-CE 3.96Å; V498-M719 HydrophobicContact CG1-SD 4.41Å; V498-M719 HydrophobicContact CG2-CB 4.24Å; V498-M719 HydrophobicContact CG2-CE 4.26Å
499L96.6Very high95.9Very high83 Ų8349.1 Ų49.144%0.43526%0.258SS..EExtended strand (participates in β ladder)trans-83.8145.8170.6-64.7177.1000108.7L648 S649 Q714 A715L499-L648 WeakPolarHBondContact O-CD1 3.46Å; L499-S649 VanDerWaalsContact O-CB 3.29Å; L499-S649 WeakPolarHBondContact O-CB 3.07Å; L499-Q714 HydrophobicContact CB-CB 4.49Å; L499-A715 CarbonylContact C-O 3.5Å; L499-A715 WeakPolarHBondContact CA-O 3.28Å
500M96.8Very high95.3Very high0 Ų052.8 Ų52.80%028%0.278CS..EExtended strand (participates in β ladder)trans-129120.8173.7-175-174.376.900109.8L445 L470 R502 N525 L648 Q714 A715 M717L445-M500 HydrophobicContact CD1-CE 3.79Å; L470-M500 HydrophobicContact CD1-CE 4.49Å; L470-M500 HydrophobicContact CD1-SD 3.39Å; L470-M500 WeakPolarHBondContact CD1-SD 3.41Å; L470-M500 HydrophobicContact CD2-CE 4.45Å; L470-M500 HydrophobicContact CD2-SD 4.34Å; M500-R502 HydrophobicContact CE-CG 4.13Å; M500-N525 HydrophobicContact CE-CB 4.15Å; M500-L648 CarbonylContact C-O 3.53Å; M500-L648 VanDerWaalsContact CA-O 3.3Å; M500-L648 WeakPolarHBondContact CA-O 3.45Å; M500-L648 HydrophobicContact CB-CD1 3.7Å; M500-L648 HydrophobicContact CG-CD1 3.91Å; M500-Q714 CarbonylContact O-C 3.5Å; M500-Q714 VanDerWaalsContact O-CA 3.27Å; M500-Q714 WeakPolarHBondContact O-CA 3.43Å; M500-A715 HydrophobicContact CE-CB 4.39Å; M500-A715 PolarHBondContact N-O 2.64Å; M500-A715 PolarHBondContact O-N 3Å; M500-M717 HydrophobicContact CB-CG 3.71Å; M500-M717 HydrophobicContact CE-CG 4.42Å; M500-M717 HydrophobicContact CE-SD 4.3Å; M500-M717 HydrophobicContact SD-CG 4.24Å
501D97.4Very high94.1Very high0 Ų056.6 Ų56.60%030%0.3CS..EExtended strand (participates in β ladder)trans-64.6146.1174.9-63.5-45000110.5W503 N604 L648 S649 D650 R651 H711 Q714D501-W503 HydrophobicContact CB-CZ2 4.31Å; D501-N604 PolarHBondContact O-ND2 2.82Å; D501-N604 PolarHBondContact O-OD1 2.93Å; D501-L648 PolarHBondContact N-O 2.88Å; D501-S649 WeakPolarHBondContact OD2-CA 3.43Å; D501-D650 PolarHBondContact OD2-N 2.89Å; D501-D650 VanDerWaalsContact OD2-N 3.14Å; D501-R651 VanDerWaalsContact OD2-CA 3.23Å; D501-R651 WeakPolarHBondContact OD2-CA 3.49Å; D501-R651 PolarHBondContact OD2-N 2.9Å; D501-H711 IonicContact OD1-CD2 2.84Å; D501-H711 IonicContact OD1-NE2 2.71Å; D501-H711 PolarHBondContact OD1-NE2 3.42Å; D501-Q714 VanDerWaalsContact OD1-CD 3.27Å; D501-Q714 WeakPolarHBondContact OD1-CG 3.36Å; D501-Q714 PolarHBondContact OD1-NE2 3.11Å
502R97.2Very high92.5Very high3 Ų360.9 Ų60.91%0.01133%0.328CS..EExtended strand (participates in β ladder)trans-132.6139.8175.6-67.117563.3-141.53107.8D449 M500 I523 N525 K712 N713D449-R502 IonicContact OD1-NH1 2.7Å; D449-R502 IonicContact OD2-CZ 2.66Å; D449-R502 IonicContact OD2-NH1 3.52Å; D449-R502 PolarHBondContact OD2-NH1 3.11Å; D449-R502 IonicContact OD2-NH2 3.28Å; M500-R502 HydrophobicContact CE-CG 4.13Å; R502-I523 HydrophobicContact CB-CG2 4.26Å; R502-N525 PolarHBondContact NE-OD1 3.31Å; R502-K712 WeakPolarHBondContact O-CA 3.45Å; R502-K712 VanDerWaalsContact O-CB 3.22Å; R502-K712 WeakPolarHBondContact O-CB 3.35Å; R502-K712 PolarHBondContact O-N 3.16Å; R502-N713 PolarHBondContact N-O 3.38Å; R502-N713 PolarHBondContact NH1-OD1 3.25Å; R502-N713 PolarHBondContact O-N 2.86Å
503W97.7Very high90.6Very high0 Ų070 Ų700%037%0.371CS..EExtended strand (participates in β ladder)trans-121.1132.5-165.5-60.583.2000110.7D501 I523 I524 N604 R651 L653 S681 I709 T710 H711D501-W503 HydrophobicContact CB-CZ2 4.31Å; W503-I523 CarbonylContact O-C 3.55Å; W503-I523 VanDerWaalsContact O-CA 3.23Å; W503-I523 WeakPolarHBondContact O-CA 3.24Å; W503-I524 HydrophobicContact CB-CB 4.19Å; W503-I524 HydrophobicContact CB-CD1 4.41Å; W503-I524 PolarHBondContact N-O 3.16Å; W503-I524 VanDerWaalsContact N-O 3.07Å; W503-I524 PolarHBondContact O-N 3.02Å; W503-N604 PolarHBondContact NE1-OD1 3.48Å; W503-R651 VanDerWaalsContact CH2-C 3.49Å; W503-R651 VanDerWaalsContact CH2-O 3.29Å; W503-R651 WeakPolarHBondContact CH2-O 3.44Å; W503-L653 HydrophobicContact CD2-CD1 3.44Å; W503-L653 VanDerWaalsContact CD2-CD1 3.44Å; W503-L653 HydrophobicContact CD2-CD2 3.94Å; W503-L653 HydrophobicContact CD2-CG 3.66Å; W503-L653 VanDerWaalsContact CE2-CG 3.45Å; W503-L653 HydrophobicContact CE3-CD1 3.4Å; W503-L653 VanDerWaalsContact CE3-CD1 3.4Å; W503-L653 HydrophobicContact CE3-CG 3.96Å; W503-L653 HydrophobicContact CG-CD1 3.93Å; W503-L653 HydrophobicContact CG-CD2 4.01Å; W503-L653 HydrophobicContact CG-CG 4.21Å; W503-L653 HydrophobicContact CH2-CD1 4.14Å; W503-L653 HydrophobicContact CH2-CG 3.92Å; W503-L653 HydrophobicContact CZ2-CD1 4.18Å; W503-L653 HydrophobicContact CZ2-CD2 4.2Å; W503-L653 HydrophobicContact CZ2-CG 3.62Å; W503-L653 HydrophobicContact CZ3-CD1 3.77Å; W503-L653 HydrophobicContact CZ3-CG 4.08Å; W503-S681 VanDerWaalsContact CZ3-O 3.27Å; W503-S681 WeakPolarHBondContact CZ3-O 3.43Å; W503-I709 HydrophobicContact CB-CG2 4.05Å; W503-I709 HydrophobicContact CE3-CG2 4.28Å; W503-T710 CarbonylContact C-O 3.5Å; W503-T710 WeakPolarHBondContact CA-O 3.38Å; W503-H711 HydrophobicContact CE3-CB 4.12Å; W503-H711 VanDerWaalsContact CE3-N 3.34Å; W503-H711 HydrophobicContact CH2-CB 4.16Å; W503-H711 HydrophobicContact CZ3-CB 3.84Å
504S97.4Very high88.7Confident32 Ų3272.6 Ų72.622%0.22438%0.383CS..EExtended strand (participates in β ladder)trans-81.3136.6175-1570000109.2E522 I709 T710S504-E522 CarbonylContact C-O 3.54Å; S504-E522 WeakPolarHBondContact CA-O 3.18Å; S504-I709 WeakPolarHBondContact O-CA 3.42Å; S504-T710 PolarHBondContact N-O 2.88Å; S504-T710 PolarHBondContact O-N 3.48Å; S504-T710 VanDerWaalsContact O-N 3.08Å
505V96.8Very high86.9Confident4 Ų478.1 Ų78.12%0.02440%0.402CS..EExtended strand (participates in β ladder)trans-115.4117.3172.7-175.70000108.1V507 E522 I524 I695 I707 N708 I709V505-V507 HydrophobicContact CG1-CG2 4.15Å; V505-E522 PolarHBondContact N-O 3.42Å; V505-I524 HydrophobicContact CG2-CD1 3.33Å; V505-I524 HydrophobicContact CG2-CG1 3.48Å; V505-I524 VanDerWaalsContact CG2-CG1 3.48Å; V505-I695 HydrophobicContact CB-CD1 4.31Å; V505-I695 HydrophobicContact CG1-CD1 4.36Å; V505-I695 HydrophobicContact CG2-CD1 4.11Å; V505-I707 HydrophobicContact CG1-CG2 3.71Å; V505-N708 WeakPolarHBondContact CA-O 3.2Å; V505-I709 HydrophobicContact CG2-CG1 4.42Å
506E96Very high85.4Confident109 Ų10978.7 Ų78.751%0.50941%0.411SS..EExtended strand (participates in β ladder)trans-108.6121.5172.2-179.8-172.7-144.500108.4I508 I707 N708E506-I508 HydrophobicContact CG-CD1 4.47Å; E506-I508 HydrophobicContact CG-CG1 4.04Å; E506-I707 CarbonylContact O-C 3.58Å; E506-I707 VanDerWaalsContact O-CA 3.32Å; E506-I707 WeakPolarHBondContact O-CA 3.32Å; E506-N708 HydrophobicContact CB-CB 4.3Å; E506-N708 PolarHBondContact N-O 2.89Å; E506-N708 PolarHBondContact O-N 3.21Å; E506-N708 PolarHBondContact OE2-ND2 3.24Å
507V94.1Very high84.4Confident31 Ų3179.4 Ų79.419%0.18841%0.41CS..EExtended strand (participates in β ladder)trans-105.4117.9176.5-177.70000108.5V505 P509 V519 Q702 C705 I707V505-V507 HydrophobicContact CG1-CG2 4.15Å; V507-P509 WeakPolarHBondContact O-CD 3.4Å; V507-V519 HydrophobicContact CB-CG2 4.05Å; V507-V519 HydrophobicContact CG1-CG2 4.33Å; V507-V519 HydrophobicContact CG2-CG1 4.33Å; V507-V519 HydrophobicContact CG2-CG2 3.9Å; V507-Q702 HydrophobicContact CG1-CG 4.42Å; V507-C705 HydrophobicContact CG1-CB 3.93Å; V507-I707 HydrophobicContact CG2-CG1 4.45Å
508I93Very high83.8Confident74 Ų7478.5 Ų78.538%0.37942%0.415SS..EExtended strand (participates in β ladder)trans-108.5102.5179.8-54.6173.2000107.3E506 C705 T706E506-I508 HydrophobicContact CG-CD1 4.47Å; E506-I508 HydrophobicContact CG-CG1 4.04Å; I508-C705 CarbonylContact O-C 3.57Å; I508-C705 VanDerWaalsContact O-CA 3.3Å; I508-C705 WeakPolarHBondContact O-CA 3.49Å; I508-C705 VanDerWaalsContact O-CB 3.24Å; I508-C705 WeakPolarHBondContact O-CB 3.39Å; I508-T706 PolarHBondContact N-O 3.27Å; I508-T706 PolarHBondContact O-N 3.24Å
509P86.9Confident83.3Confident88 Ų8879.3 Ų79.357%0.57142%0.421SS*.EExtended strand (participates in β ladder)trans-64.6147.4178.6-18.231.6000111.5V507V507-P509 WeakPolarHBondContact O-CD 3.4Å
510D84.6Confident82.6Confident78 Ų7877.9 Ų77.942%0.41742%0.416SS..  trans-70.3147168-66.7-12.3000109.7V512 P704D510-V512 PolarHBondContact O-N 2.88Å; D510-P704 PolarHBondContact N-O 3.19Å
511E69.2Low82Confident195 Ų19582.8 Ų82.891%0.91144%0.435SS*.SBendtrans-58.9-9.5-173-65-176.7167.500115Q513E511-Q513 PolarHBondContact O-N 3.4Å
512V62.7Low81.7Confident131 Ų13189.3 Ų89.379%0.79447%0.466SS*.SBendtrans-87.1101.1-177.1-168.30000110D510 E514D510-V512 PolarHBondContact O-N 2.88Å; V512-E514 PolarHBondContact O-N 3.35Å; V512-E514 VanDerWaalsContact O-N 3.13Å
513Q57.4Low81.7Confident192 Ų19290 Ų9090%0.89747%0.47SS*.  trans-62.3103.6-173.7-68171.71.400114.2E511E511-Q513 PolarHBondContact O-N 3.4Å
514E57.3Low81.6Confident147 Ų14790 Ų9069%0.68747%0.47SS*.  trans-121.3125.9142.3-75.3-170.216700108V512 G516 S703V512-E514 PolarHBondContact O-N 3.35Å; V512-E514 VanDerWaalsContact O-N 3.13Å; E514-G516 PolarHBondContact O-N 3.27Å; E514-S703 PolarHBondContact O-OG 2.95Å
515K58.3Low81.5Confident225 Ų22589 Ų8998%0.97846%0.461SS*.  trans-6794.4174.5-82.5-175.4174.9-178.30108.8
516G64.7Low81.4Confident36 Ų3689 Ų8937%0.37146%0.461SS..  trans-72-179.7165.300000111.9E514E514-G516 PolarHBondContact O-N 3.27Å
517D76.7Confident81.3Confident76 Ų7684.6 Ų84.641%0.40644%0.44SS..PPolyproline II helixtrans-67.3147.2174-64.1-28.9000110.2W700 M701D517-W700 HydrophobicContact CB-CB 3.98Å; D517-M701 PolarHBondContact N-O 2.8Å; D517-M701 WeakPolarHBondContact OD2-CB 3.33Å; D517-M701 PolarHBondContact OD2-N 3.13Å
518P82.5Confident81.3Confident112 Ų11283.1 Ų83.173%0.72743%0.431SS*.PPolyproline II helixtrans-63.9141.7173.128-33.8000110.6P520P518-P520 WeakPolarHBondContact O-CD 3.39Å
519V85.4Confident81.4Confident50 Ų5079.6 Ų79.630%0.30341%0.413SS..PPolyproline II helixtrans-65.1123.7175.2-177.40000108.8V507 Y521 W700V507-V519 HydrophobicContact CB-CG2 4.05Å; V507-V519 HydrophobicContact CG1-CG2 4.33Å; V507-V519 HydrophobicContact CG2-CG1 4.33Å; V507-V519 HydrophobicContact CG2-CG2 3.9Å; V519-Y521 WeakPolarHBondContact CG1-O 3.32Å; V519-W700 HydrophobicContact CG1-CH2 4.4Å; V519-W700 HydrophobicContact CG1-CZ2 4.07Å
520P83.1Confident81.8Confident52 Ų5275.4 Ų75.434%0.33839%0.386SS..SBendtrans-75.2-33.8-171.428-34.3000112.9P518 E698 W700P518-P520 WeakPolarHBondContact O-CD 3.39Å; P520-E698 HydrophobicContact CG-CB 4.44Å; P520-W700 VanDerWaalsContact CD-CD2 3.45Å; P520-W700 HydrophobicContact CG-CD2 4.12Å; P520-W700 HydrophobicContact CG-CE3 3.5Å; P520-W700 VanDerWaalsContact CG-CE3 3.5Å; P520-W700 HydrophobicContact CG-CZ3 3.92Å
521Y84.3Confident82.2Confident104 Ų10471.7 Ų71.741%0.40837%0.366SS..  trans-144.2148.9-178.8-63.5-80.2000111.6V519 I695 E698V519-Y521 WeakPolarHBondContact CG1-O 3.32Å; Y521-I695 WeakPolarHBondContact O-CD1 3.45Å; Y521-E698 HydrophobicContact CD2-CB 3.83Å; Y521-E698 HydrophobicContact CD2-CG 4.15Å; Y521-E698 HydrophobicContact CE2-CB 3.53Å; Y521-E698 HydrophobicContact CE2-CG 3.45Å; Y521-E698 VanDerWaalsContact CE2-CG 3.45Å
522E91.4Very high83.1Confident137 Ų13762.4 Ų62.464%0.6432%0.323SS*.SBendtrans-106.49.1175.5-61.3176.5174.900112.1S504 V505S504-E522 CarbonylContact C-O 3.54Å; S504-E522 WeakPolarHBondContact CA-O 3.18Å; V505-E522 PolarHBondContact N-O 3.42Å
523I95.4Very high84.3Confident17 Ų1756.6 Ų56.69%0.08729%0.287CS..EExtended strand (participates in β ladder)trans-134.3126.9-175.1-53.1175.8000110.7R502 W503 I695 K712R502-I523 HydrophobicContact CB-CG2 4.26Å; W503-I523 CarbonylContact O-C 3.55Å; W503-I523 VanDerWaalsContact O-CA 3.23Å; W503-I523 WeakPolarHBondContact O-CA 3.24Å; I523-I695 VanDerWaalsContact O-CG2 3.31Å; I523-I695 WeakPolarHBondContact O-CG2 3.42Å; I523-K712 HydrophobicContact CD1-CD 3.79Å; I523-K712 VanDerWaalsContact CD1-CE 3.43Å; I523-K712 HydrophobicContact CG1-CD 3.94Å; I523-K712 HydrophobicContact CG2-CD 4.3Å
524I96.1Very high85.9Confident0 Ų047.4 Ų47.40%025%0.245CC..EExtended strand (participates in β ladder)trans-95.5123.4169.4-55.6157.6000108.7W503 V505 F528 I695 I709W503-I524 HydrophobicContact CB-CB 4.19Å; W503-I524 HydrophobicContact CB-CD1 4.41Å; W503-I524 PolarHBondContact N-O 3.16Å; W503-I524 VanDerWaalsContact N-O 3.07Å; W503-I524 PolarHBondContact O-N 3.02Å; V505-I524 HydrophobicContact CG2-CD1 3.33Å; V505-I524 HydrophobicContact CG2-CG1 3.48Å; V505-I524 VanDerWaalsContact CG2-CG1 3.48Å; I524-F528 HydrophobicContact CD1-CB 3.46Å; I524-F528 VanDerWaalsContact CD1-CB 3.46Å; I524-F528 HydrophobicContact CD1-CG 4.3Å; I524-F528 HydrophobicContact CG1-CB 3.88Å; I524-I695 HydrophobicContact CG1-CG1 4.4Å; I524-I695 HydrophobicContact CG1-CG2 4.12Å; I524-I709 HydrophobicContact CD1-CD1 4.16Å; I524-I709 HydrophobicContact CD1-CG2 3.97Å
525N95.3Very high87.4Confident10 Ų1041.1 Ų41.15%0.05322%0.217CC..SBendtrans-102.5-35.5168.9-49.6-80.1000111.2M500 R502 N604 D696M500-N525 HydrophobicContact CE-CB 4.15Å; R502-N525 PolarHBondContact NE-OD1 3.31Å; N525-N604 PolarHBondContact O-ND2 3.45Å; N525-D696 VanDerWaalsContact CB-OD2 3.31Å; N525-D696 WeakPolarHBondContact CB-OD2 3.46Å; N525-D696 PolarHBondContact N-OD2 2.76Å; N525-D696 PolarHBondContact ND2-OD2 2.94Å
526N94.2Very high88.7Confident4 Ų430.8 Ų30.82%0.02117%0.172CC..SBendtrans-110.8-64.6-177.6-61-13.9000111.1D438 L470 N604 I605 D696D438-N526 PolarHBondContact OD1-ND2 2.74Å; L470-N526 WeakPolarHBondContact CB-OD1 3.28Å; N526-N604 VanDerWaalsContact O-CB 3.32Å; N526-N604 WeakPolarHBondContact O-CB 3.26Å; N526-N604 PolarHBondContact O-N 2.86Å; N526-I605 HydrophobicContact CB-CD1 3.72Å; N526-I605 HydrophobicContact CB-CG1 4.05Å; N526-I605 PolarHBondContact O-N 3.4Å; N526-D696 WeakPolarHBondContact CA-OD1 3.36Å; N526-D696 VanDerWaalsContact CB-OD1 3.28Å; N526-D696 WeakPolarHBondContact CB-OD1 3.35Å; N526-D696 PolarHBondContact N-OD1 3.09Å
527Y94.1Very high89.7Confident17 Ų1729.3 Ų29.37%0.06716%0.157CC..EExtended strand (participates in β ladder)trans-165.2155.2-177.155.7-91.9000113D469 V602 L603 M608 Q694 D696D469-Y527 HydrophobicContact CB-CE1 4.49Å; Y527-V602 CarbonylContact C-O 3.59Å; Y527-V602 WeakPolarHBondContact CA-O 3.36Å; Y527-V602 VanDerWaalsContact CB-O 3.31Å; Y527-V602 WeakPolarHBondContact CB-O 3.49Å; Y527-L603 HydrophobicContact CG-CD2 4.37Å; Y527-M608 HydrophobicContact CD1-CG 3.62Å; Y527-M608 HydrophobicContact CD1-SD 3.82Å; Y527-M608 HydrophobicContact CD2-CG 4.4Å; Y527-M608 HydrophobicContact CD2-SD 3.51Å; Y527-M608 VanDerWaalsContact CD2-SD 3.51Å; Y527-M608 HydrophobicContact CE1-CB 4.3Å; Y527-M608 HydrophobicContact CE1-CG 3.88Å; Y527-M608 HydrophobicContact CE1-SD 4.19Å; Y527-M608 HydrophobicContact CE2-SD 3.91Å; Y527-M608 HydrophobicContact CG-CG 3.93Å; Y527-M608 HydrophobicContact CG-SD 3.48Å; Y527-Q694 VanDerWaalsContact CE2-NE2 3.29Å; Y527-D696 PolarHBondContact N-OD1 3.46Å; Y527-D696 PolarHBondContact O-N 3.49Å
528F95.9Very high90.3Very high0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-115.5145.3170.3164.7-100.6000109.4I524 I530 A601 V602 I685 M693 Q694 I695 W700 I707 I709I524-F528 HydrophobicContact CD1-CB 3.46Å; I524-F528 VanDerWaalsContact CD1-CB 3.46Å; I524-F528 HydrophobicContact CD1-CG 4.3Å; I524-F528 HydrophobicContact CG1-CB 3.88Å; F528-I530 HydrophobicContact CE1-CD1 3.64Å; F528-I530 HydrophobicContact CE1-CG1 3.45Å; F528-I530 VanDerWaalsContact CE1-CG1 3.45Å; F528-I530 HydrophobicContact CE2-CG1 4.41Å; F528-I530 HydrophobicContact CZ-CD1 3.71Å; F528-I530 HydrophobicContact CZ-CG1 3.4Å; F528-I530 VanDerWaalsContact CZ-CG1 3.4Å; F528-A601 CarbonylContact O-C 3.52Å; F528-A601 WeakPolarHBondContact O-CA 3.36Å; F528-V602 HydrophobicContact CB-CB 4.32Å; F528-V602 HydrophobicContact CD1-CB 4.23Å; F528-V602 HydrophobicContact CD1-CG2 4.07Å; F528-V602 PolarHBondContact N-O 2.66Å; F528-V602 PolarHBondContact O-N 2.66Å; F528-I685 HydrophobicContact CE1-CD1 3.92Å; F528-M693 HydrophobicContact CE2-CB 4.13Å; F528-M693 HydrophobicContact CE2-SD 4.24Å; F528-M693 HydrophobicContact CZ-CG 4.48Å; F528-M693 HydrophobicContact CZ-SD 3.99Å; F528-Q694 WeakPolarHBondContact CA-O 3.44Å; F528-Q694 WeakPolarHBondContact CD2-O 3.03Å; F528-I695 HydrophobicContact CB-CG1 4.42Å; F528-I695 HydrophobicContact CD2-CD1 4.3Å; F528-I695 HydrophobicContact CD2-CG1 3.59Å; F528-I695 HydrophobicContact CE2-CG1 4.38Å; F528-I695 HydrophobicContact CG-CG1 4.48Å; F528-W700 HydrophobicContact CD2-CH2 4.32Å; F528-W700 AromaticContact CE2-CH2 3.83Å; F528-W700 HydrophobicContact CE2-CH2 3.83Å; F528-W700 HydrophobicContact CE2-CZ2 4.42Å; F528-I707 HydrophobicContact CZ-CD1 3.87Å; F528-I709 HydrophobicContact CD1-CD1 3.91Å; F528-I709 HydrophobicContact CE1-CD1 4.31Å; F528-I709 HydrophobicContact CG-CD1 4.47Å
529S94.7Very high90.4Very high0 Ų026.7 Ų26.70%013%0.129CC..EExtended strand (participates in β ladder)trans-144.1154.417371.80000113.4D533 I600 M693 Q694S529-D533 WeakPolarHBondContact CB-OD2 3.43Å; S529-D533 PolarHBondContact OG-OD2 2.95Å; S529-I600 CarbonylContact C-O 3.59Å; S529-I600 WeakPolarHBondContact CA-O 3.1Å; S529-I600 VanDerWaalsContact CB-O 3.27Å; S529-I600 WeakPolarHBondContact CB-O 3.15Å; S529-M693 CarbonylContact O-C 3.57Å; S529-M693 VanDerWaalsContact O-CA 3.31Å; S529-M693 WeakPolarHBondContact O-CA 3.33Å; S529-Q694 PolarHBondContact N-O 2.83Å; S529-Q694 PolarHBondContact O-N 3.16Å; S529-Q694 WeakPolarHBondContact OG-CG 3.25Å; S529-Q694 PolarHBondContact OG-NE2 3.15Å
530I95.1Very high90.3Very high0 Ų024.8 Ų24.80%012%0.116CC..EExtended strand (participates in β ladder)trans-126138.1176.1-53.2177.9000108F528 L577 L581 G599 I600 I685 L691 P692 M693 I707F528-I530 HydrophobicContact CE1-CD1 3.64Å; F528-I530 HydrophobicContact CE1-CG1 3.45Å; F528-I530 VanDerWaalsContact CE1-CG1 3.45Å; F528-I530 HydrophobicContact CE2-CG1 4.41Å; F528-I530 HydrophobicContact CZ-CD1 3.71Å; F528-I530 HydrophobicContact CZ-CG1 3.4Å; F528-I530 VanDerWaalsContact CZ-CG1 3.4Å; I530-L577 HydrophobicContact CG2-CD1 4.45Å; I530-L581 HydrophobicContact CG2-CD2 4.3Å; I530-G599 CarbonylContact O-C 3.58Å; I530-G599 VanDerWaalsContact O-CA 3.23Å; I530-G599 WeakPolarHBondContact O-CA 3.24Å; I530-I600 PolarHBondContact N-O 2.93Å; I530-I600 PolarHBondContact O-N 2.86Å; I530-I685 HydrophobicContact CD1-CD1 3.92Å; I530-I685 HydrophobicContact CD1-CG2 3.91Å; I530-L691 HydrophobicContact CG2-CB 3.93Å; I530-L691 HydrophobicContact CG2-CD1 3.84Å; I530-L691 HydrophobicContact CG2-CG 4.41Å; I530-P692 WeakPolarHBondContact CA-O 3.31Å; I530-M693 HydrophobicContact CD1-CE 4.14Å; I530-M693 HydrophobicContact CD1-SD 4.49Å; I530-M693 HydrophobicContact CG1-CE 4.39Å; I530-M693 HydrophobicContact CG1-CG 4.08Å; I530-M693 HydrophobicContact CG1-SD 4.34Å; I530-M693 HydrophobicContact CG2-CE 4.39Å; I530-M693 HydrophobicContact CG2-CG 4.35Å; I530-I707 HydrophobicContact CD1-CD1 4.27Å
531G93.3Very high90.2Very high0 Ų024.7 Ų24.70%011%0.112CC..EExtended strand (participates in β ladder)trans97.2-137.8173.100000113.4D533 A534 S535 E598 P692G531-D533 VanDerWaalsContact C-N 3.28Å; G531-D533 PolarHBondContact O-N 3.48Å; G531-A534 PolarHBondContact O-N 3.43Å; G531-A534 VanDerWaalsContact O-N 3.11Å; G531-S535 PolarHBondContact O-N 2.91Å; G531-E598 WeakPolarHBondContact CA-O 3.38Å; G531-P692 PolarHBondContact N-O 3.39Å
532V87.7Confident90.1Very high1 Ų121.5 Ų21.51%0.00610%0.103CC..Hα-helixtrans-55.1-39.9-166.666.90000113.7S535 I536 E568 C574 E598 L658 A661 M664V532-S535 WeakPolarHBondContact O-CB 3.39Å; V532-S535 PolarHBondContact O-N 3.49Å; V532-I536 HydrophobicContact CG2-CD1 4.31Å; V532-I536 VanDerWaalsContact O-CG1 3.31Å; V532-I536 WeakPolarHBondContact O-CG1 3.36Å; V532-I536 PolarHBondContact O-N 3.22Å; V532-I536 VanDerWaalsContact O-N 3.08Å; V532-E568 HydrophobicContact CG2-CB 4.4Å; V532-C574 HydrophobicContact CB-CB 4.44Å; V532-E598 HydrophobicContact CB-CB 4.15Å; V532-E598 HydrophobicContact CG1-CB 4.16Å; V532-E598 PolarHBondContact N-O 3.44Å; V532-L658 HydrophobicContact CG1-CB 4.48Å; V532-A661 HydrophobicContact CG2-CB 3.92Å; V532-M664 HydrophobicContact CG1-SD 4.04Å
533D87.4Confident89.5Confident8 Ų817.2 Ų17.24%0.0438%0.084CC..Hα-helixtrans-64.6-50.7177.7176.450000112.2S529 G531 S535 I536 A537 H609 L658 M664S529-D533 WeakPolarHBondContact CB-OD2 3.43Å; S529-D533 PolarHBondContact OG-OD2 2.95Å; G531-D533 VanDerWaalsContact C-N 3.28Å; G531-D533 PolarHBondContact O-N 3.48Å; D533-S535 VanDerWaalsContact C-N 3.25Å; D533-S535 PolarHBondContact O-N 3.36Å; D533-I536 PolarHBondContact O-N 3.33Å; D533-I536 VanDerWaalsContact O-N 3.13Å; D533-A537 PolarHBondContact O-N 3.41Å; D533-H609 IonicContact OD1-CE1 2.97Å; D533-H609 PolarHBondContact OD1-CE1 3.43Å; D533-H609 IonicContact OD1-ND1 2.66Å; D533-H609 PolarHBondContact OD1-ND1 2.81Å; D533-H609 IonicContact OD1-NE2 3.4Å; D533-H609 IonicContact OD2-CE1 3.89Å; D533-H609 PolarHBondContact OD2-CE1 2.88Å; D533-H609 IonicContact OD2-NE2 3.48Å; D533-L658 HydrophobicContact CB-CD1 4.07Å; D533-M664 HydrophobicContact CB-CE 3.93Å; D533-M664 HydrophobicContact CB-SD 4.33Å
534A90.9Very high88.5Confident0 Ų022.5 Ų22.50%010%0.102CC..Hα-helixtrans-60.8-35.1176.200000112.3G531 A537 H538 P692 M693 Q694G531-A534 PolarHBondContact O-N 3.43Å; G531-A534 VanDerWaalsContact O-N 3.11Å; A534-A537 PolarHBondContact O-N 2.91Å; A534-H538 VanDerWaalsContact O-CB 3.31Å; A534-H538 WeakPolarHBondContact O-CB 3.23Å; A534-H538 PolarHBondContact O-N 3.1Å; A534-P692 VanDerWaalsContact CB-C 3.47Å; A534-P692 HydrophobicContact CB-CB 4.04Å; A534-P692 WeakPolarHBondContact CB-O 3.14Å; A534-M693 VanDerWaalsContact CB-CA 3.47Å; A534-Q694 HydrophobicContact CB-CB 4.15Å; A534-Q694 HydrophobicContact CB-CG 3.98Å
535S89.4Confident87.4Confident15 Ų1528.9 Ų28.911%0.10513%0.132CC..Hα-helixtrans-61.6-45173.8-175.30000111.9G531 V532 D533 H538 R539 E568G531-S535 PolarHBondContact O-N 2.91Å; V532-S535 WeakPolarHBondContact O-CB 3.39Å; V532-S535 PolarHBondContact O-N 3.49Å; D533-S535 VanDerWaalsContact C-N 3.25Å; D533-S535 PolarHBondContact O-N 3.36Å; S535-H538 PolarHBondContact O-N 3.24Å; S535-R539 WeakPolarHBondContact O-CG 3.26Å; S535-R539 PolarHBondContact O-N 2.86Å; S535-E568 VanDerWaalsContact OG-CD 3.23Å; S535-E568 PolarHBondContact OG-OE2 3.46Å
536I84.6Confident86.3Confident7 Ų734.4 Ų34.44%0.03616%0.156CC..Hα-helixtrans-63.4-45.3176.1-64.8162.8000110.3V532 D533 H538 R539 F540 Y561 F564 A565 E568 A661V532-I536 HydrophobicContact CG2-CD1 4.31Å; V532-I536 VanDerWaalsContact O-CG1 3.31Å; V532-I536 WeakPolarHBondContact O-CG1 3.36Å; V532-I536 PolarHBondContact O-N 3.22Å; V532-I536 VanDerWaalsContact O-N 3.08Å; D533-I536 PolarHBondContact O-N 3.33Å; D533-I536 VanDerWaalsContact O-N 3.13Å; I536-H538 VanDerWaalsContact C-N 3.34Å; I536-H538 PolarHBondContact O-N 2.85Å; I536-R539 PolarHBondContact O-N 3.37Å; I536-F540 WeakPolarHBondContact O-CB 3.21Å; I536-F540 PolarHBondContact O-N 3.19Å; I536-Y561 HydrophobicContact CG2-CD1 3.98Å; I536-Y561 HydrophobicContact CG2-CE1 4.5Å; I536-F564 HydrophobicContact CG2-CB 4.13Å; I536-A565 HydrophobicContact CD1-CB 3.76Å; I536-A565 HydrophobicContact CG1-CB 4.42Å; I536-E568 HydrophobicContact CG1-CB 4.08Å; I536-E568 HydrophobicContact CG1-CG 3.73Å; I536-A661 HydrophobicContact CD1-CB 4.38Å
537A87.3Confident85.1Confident6 Ų637 Ų375%0.0517%0.167CC..Hα-helixtrans-59.1-45.1176.400000111.4D533 A534 R539 F540 H541 Q694 P699D533-A537 PolarHBondContact O-N 3.41Å; A534-A537 PolarHBondContact O-N 2.91Å; A537-R539 PolarHBondContact O-N 2.86Å; A537-F540 PolarHBondContact O-N 3.29Å; A537-H541 WeakPolarHBondContact O-CB 3.41Å; A537-H541 PolarHBondContact O-N 2.83Å; A537-Q694 HydrophobicContact CB-CB 4.44Å; A537-Q694 HydrophobicContact CB-CG 4.42Å; A537-P699 HydrophobicContact CB-CB 4.02Å; A537-P699 HydrophobicContact CB-CG 4.33Å
538H87.6Confident83.6Confident59 Ų5936.9 Ų36.927%0.27317%0.169SC..Hα-helixtrans-59-46.3177.8-174.8-92.2000112.2A534 S535 I536 H541 T542 P699A534-H538 VanDerWaalsContact O-CB 3.31Å; A534-H538 WeakPolarHBondContact O-CB 3.23Å; A534-H538 PolarHBondContact O-N 3.1Å; S535-H538 PolarHBondContact O-N 3.24Å; I536-H538 VanDerWaalsContact C-N 3.34Å; I536-H538 PolarHBondContact O-N 2.85Å; H538-H541 PolarHBondContact O-N 3.48Å; H538-T542 WeakPolarHBondContact O-CB 3.28Å; H538-T542 PolarHBondContact O-N 2.7Å; H538-T542 PolarHBondContact O-OG1 3.37Å; H538-P699 VanDerWaalsContact CA-CG 3.44Å; H538-P699 HydrophobicContact CB-CB 3.89Å; H538-P699 HydrophobicContact CB-CG 4.2Å
539R84.8Confident82Confident74 Ų7438 Ų3828%0.27917%0.174SC..Hα-helixtrans-64.5-41.6176.8-69179.271.1-178.6-2111.9S535 I536 A537 M543 F564 S567 E568S535-R539 WeakPolarHBondContact O-CG 3.26Å; S535-R539 PolarHBondContact O-N 2.86Å; I536-R539 PolarHBondContact O-N 3.37Å; A537-R539 PolarHBondContact O-N 2.86Å; R539-M543 WeakPolarHBondContact O-CB 3.43Å; R539-M543 WeakPolarHBondContact O-CG 3.35Å; R539-M543 PolarHBondContact O-N 3.25Å; R539-F564 HydrophobicContact CB-CD1 4.4Å; R539-F564 HydrophobicContact CB-CG 4.28Å; R539-S567 VanDerWaalsContact NH1-CB 3.35Å; R539-S567 PolarHBondContact NH1-OG 2.94Å; R539-S567 PolarHBondContact NH2-OG 2.73Å; R539-E568 WeakPolarHBondContact CD-OE1 3.45Å; R539-E568 IonicContact CZ-OE1 3.24Å; R539-E568 IonicContact NE-OE1 3.57Å; R539-E568 IonicContact NH1-OE1 2.78Å; R539-E568 PolarHBondContact NH1-OE1 3.41Å
540F83.4Confident80.6Confident9 Ų942 Ų424%0.03919%0.192CC..Hα-helixtrans-61.4-47.8175.2179.8-88.3000111.6I536 A537 M543 R544 F551 N557 W560 Y561 F564I536-F540 WeakPolarHBondContact O-CB 3.21Å; I536-F540 PolarHBondContact O-N 3.19Å; A537-F540 PolarHBondContact O-N 3.29Å; F540-M543 PolarHBondContact O-N 3.34Å; F540-R544 VanDerWaalsContact O-CB 3.27Å; F540-R544 WeakPolarHBondContact O-CB 3.18Å; F540-R544 PolarHBondContact O-N 3.44Å; F540-F551 HydrophobicContact CD2-CD1 4.5Å; F540-F551 AromaticContact CD2-CE1 3.82Å; F540-F551 HydrophobicContact CD2-CE1 3.82Å; F540-F551 HydrophobicContact CE1-CD1 4.44Å; F540-F551 HydrophobicContact CE1-CE1 4.5Å; F540-F551 AromaticContact CE2-CD1 3.66Å; F540-F551 HydrophobicContact CE2-CD1 3.66Å; F540-F551 AromaticContact CE2-CE1 3.39Å; F540-F551 HydrophobicContact CE2-CE1 3.39Å; F540-F551 AromaticContact CZ-CD1 3.61Å; F540-F551 HydrophobicContact CZ-CD1 3.61Å; F540-F551 AromaticContact CZ-CE1 3.77Å; F540-F551 HydrophobicContact CZ-CE1 3.77Å; F540-N557 HydrophobicContact CE2-CB 4.27Å; F540-N557 WeakPolarHBondContact CE2-O 3.25Å; F540-N557 HydrophobicContact CZ-CB 4.15Å; F540-W560 HydrophobicContact CD2-CB 4.2Å; F540-W560 HydrophobicContact CE2-CB 4.13Å; F540-Y561 HydrophobicContact CB-CD1 4.39Å; F540-Y561 HydrophobicContact CB-CE1 3.95Å; F540-Y561 HydrophobicContact CB-CE2 4.47Å; F540-Y561 HydrophobicContact CD1-CE1 4.33Å; F540-Y561 AromaticContact CD1-CE2 3.62Å; F540-Y561 HydrophobicContact CD1-CE2 3.62Å; F540-Y561 AromaticContact CD1-CZ 3.5Å; F540-Y561 VanDerWaalsContact CD1-CZ 3.5Å; F540-Y561 VanDerWaalsContact CD1-OH 3.3Å; F540-Y561 WeakPolarHBondContact CD1-OH 3.49Å; F540-Y561 HydrophobicContact CD2-CD1 4.24Å; F540-Y561 AromaticContact CD2-CD2 3.41Å; F540-Y561 HydrophobicContact CD2-CD2 3.41Å; F540-Y561 VanDerWaalsContact CD2-CD2 3.41Å; F540-Y561 HydrophobicContact CD2-CE1 4.19Å; F540-Y561 AromaticContact CD2-CE2 3.35Å; F540-Y561 HydrophobicContact CD2-CE2 3.35Å; F540-Y561 AromaticContact CD2-CG 3.87Å; F540-Y561 HydrophobicContact CD2-CG 3.87Å; F540-Y561 AromaticContact CD2-CZ 3.76Å; F540-Y561 HydrophobicContact CE1-CD2 4.46Å; F540-Y561 AromaticContact CE1-CE2 3.54Å; F540-Y561 HydrophobicContact CE1-CE2 3.54Å; F540-Y561 AromaticContact CE1-CZ 3.86Å; F540-Y561 AromaticContact CE2-CD2 3.34Å; F540-Y561 HydrophobicContact CE2-CD2 3.34Å; F540-Y561 AromaticContact CE2-CE2 3.26Å; F540-Y561 HydrophobicContact CE2-CE2 3.26Å; F540-Y561 HydrophobicContact CE2-CG 4.22Å; F540-Y561 HydrophobicContact CG-CD1 4.35Å; F540-Y561 HydrophobicContact CG-CD2 4.03Å; F540-Y561 AromaticContact CG-CE1 3.9Å; F540-Y561 HydrophobicContact CG-CE1 3.9Å; F540-Y561 AromaticContact CG-CE2 3.54Å; F540-Y561 HydrophobicContact CG-CE2 3.54Å; F540-Y561 HydrophobicContact CG-CG 4.41Å; F540-Y561 AromaticContact CG-CZ 3.45Å; F540-Y561 VanDerWaalsContact CG-CZ 3.45Å; F540-Y561 AromaticContact CZ-CD2 3.92Å; F540-Y561 HydrophobicContact CZ-CD2 3.92Å; F540-Y561 AromaticContact CZ-CE2 3.37Å; F540-Y561 HydrophobicContact CZ-CE2 3.37Å; F540-F564 HydrophobicContact CB-CD2 3.96Å; F540-F564 HydrophobicContact CB-CE2 4.16Å; F540-F564 HydrophobicContact CD2-CD2 4.23Å; F540-F564 HydrophobicContact CD2-CE2 4.1Å
541H82.2Confident79.3Confident51 Ų5142.5 Ų42.524%0.23619%0.194CC..Hα-helixtrans-61.2-52.7179.5-169100.5000111.1A537 H538 M543 R544 E545 E698 P699A537-H541 WeakPolarHBondContact O-CB 3.41Å; A537-H541 PolarHBondContact O-N 2.83Å; H538-H541 PolarHBondContact O-N 3.48Å; H541-M543 VanDerWaalsContact C-N 3.28Å; H541-M543 PolarHBondContact O-N 2.89Å; H541-R544 WeakPolarHBondContact O-CB 3.36Å; H541-R544 PolarHBondContact O-N 2.93Å; H541-E545 VanDerWaalsContact CD2-CD 3.46Å; H541-E545 IonicContact CD2-OE1 3.55Å; H541-E545 IonicContact CD2-OE2 2.8Å; H541-E545 VanDerWaalsContact NE2-CD 3.31Å; H541-E545 IonicContact NE2-OE1 3.66Å; H541-E545 PolarHBondContact NE2-OE1 2.77Å; H541-E545 VanDerWaalsContact NE2-OE1 3.16Å; H541-E545 IonicContact NE2-OE2 2.8Å; H541-E545 PolarHBondContact O-N 3.42Å; H541-E698 IonicContact CE1-OE2 3.86Å; H541-E698 PolarHBondContact CE1-OE2 3.02Å; H541-E698 IonicContact ND1-OE2 3.53Å; H541-P699 HydrophobicContact CB-CG 3.63Å
542T82Confident77.8Confident37 Ų3744.6 Ų44.623%0.22721%0.205CC..Hα-helixtrans-55.2-42.6177.5-57.90000112.1H538 K546H538-T542 WeakPolarHBondContact O-CB 3.28Å; H538-T542 PolarHBondContact O-N 2.7Å; H538-T542 PolarHBondContact O-OG1 3.37Å; T542-K546 HydrophobicContact CG2-CD 4.04Å; T542-K546 WeakPolarHBondContact O-CB 3.49Å; T542-K546 VanDerWaalsContact O-CG 3.27Å; T542-K546 WeakPolarHBondContact O-CG 3.29Å; T542-K546 PolarHBondContact O-N 3.19Å; T542-K546 VanDerWaalsContact O-N 3.08Å
543M77.6Confident76.8Confident47 Ų4746.5 Ų46.523%0.23222%0.218CC..Hα-helixtrans-71.7-33.6179-80.4-66.5-7000112.7R539 F540 H541 H547 F551 F564R539-M543 WeakPolarHBondContact O-CB 3.43Å; R539-M543 WeakPolarHBondContact O-CG 3.35Å; R539-M543 PolarHBondContact O-N 3.25Å; F540-M543 PolarHBondContact O-N 3.34Å; H541-M543 VanDerWaalsContact C-N 3.28Å; H541-M543 PolarHBondContact O-N 2.89Å; M543-H547 WeakPolarHBondContact O-CB 3.35Å; M543-H547 PolarHBondContact O-N 3.43Å; M543-F551 HydrophobicContact CB-CE2 4.3Å; M543-F551 HydrophobicContact CB-CZ 3.89Å; M543-F551 WeakPolarHBondContact O-CE2 3.46Å; M543-F564 HydrophobicContact CB-CE2 4.28Å; M543-F564 HydrophobicContact CB-CZ 3.79Å; M543-F564 HydrophobicContact CG-CE1 4.06Å; M543-F564 HydrophobicContact CG-CE2 4.47Å; M543-F564 HydrophobicContact CG-CZ 3.61Å
544R76.1Confident76Confident127 Ų12748.5 Ų48.548%0.47923%0.225SC..Hα-helixtrans-70.1-39176.6-178.2176.1177.3-157.9-5.7112.1F540 H541 P548 F551F540-R544 VanDerWaalsContact O-CB 3.27Å; F540-R544 WeakPolarHBondContact O-CB 3.18Å; F540-R544 PolarHBondContact O-N 3.44Å; H541-R544 WeakPolarHBondContact O-CB 3.36Å; H541-R544 PolarHBondContact O-N 2.93Å; R544-P548 WeakPolarHBondContact O-CA 3.32Å; R544-P548 VanDerWaalsContact O-CB 3.31Å; R544-P548 WeakPolarHBondContact O-CB 3.15Å; R544-P548 WeakPolarHBondContact O-CD 3.29Å; R544-P548 VanDerWaalsContact O-N 3.14Å; R544-F551 VanDerWaalsContact CA-CE2 3.44Å; R544-F551 HydrophobicContact CB-CD1 4.08Å; R544-F551 HydrophobicContact CB-CD2 3.96Å; R544-F551 HydrophobicContact CB-CE1 4.16Å; R544-F551 HydrophobicContact CB-CE2 4.07Å; R544-F551 HydrophobicContact CB-CG 3.97Å; R544-F551 HydrophobicContact CB-CZ 4.16Å; R544-F551 HydrophobicContact CG-CB 3.98Å; R544-F551 HydrophobicContact CG-CD1 4.18Å; R544-F551 HydrophobicContact CG-CD2 4.06Å; R544-F551 HydrophobicContact CG-CG 3.8Å
545E72.8Confident74.9Confident135 Ų13556.1 Ų56.163%0.63126%0.263SS*.Hα-helixtrans-66.9-43.3173.6-69.7-172.6134.900111.6H541 P548H541-E545 VanDerWaalsContact CD2-CD 3.46Å; H541-E545 IonicContact CD2-OE1 3.55Å; H541-E545 IonicContact CD2-OE2 2.8Å; H541-E545 VanDerWaalsContact NE2-CD 3.31Å; H541-E545 IonicContact NE2-OE1 3.66Å; H541-E545 PolarHBondContact NE2-OE1 2.77Å; H541-E545 VanDerWaalsContact NE2-OE1 3.16Å; H541-E545 IonicContact NE2-OE2 2.8Å; H541-E545 PolarHBondContact O-N 3.42Å; E545-P548 WeakPolarHBondContact O-CD 3.39Å
546K71.8Confident73.8Confident126 Ų12660.7 Ų60.755%0.54828%0.281SS..Hα-helixtrans-73.9-28.6179.7-70.7177.1-177.6177.90114.4V68 T542V68-K546 WeakPolarHBondContact CG1-O 3.28Å; T542-K546 HydrophobicContact CG2-CD 4.04Å; T542-K546 WeakPolarHBondContact O-CB 3.49Å; T542-K546 VanDerWaalsContact O-CG 3.27Å; T542-K546 WeakPolarHBondContact O-CG 3.29Å; T542-K546 PolarHBondContact O-N 3.19Å; T542-K546 VanDerWaalsContact O-N 3.08Å
547H67.9Low73.2Confident57 Ų5760.7 Ų60.726%0.26428%0.281SS..  trans-139.755.2-174.4-55.594.8000113M543 Q549 K550 F551M543-H547 WeakPolarHBondContact O-CB 3.35Å; M543-H547 PolarHBondContact O-N 3.43Å; H547-Q549 PolarHBondContact O-N 3.17Å; H547-Q549 VanDerWaalsContact O-N 3.09Å; H547-K550 HydrophobicContact CB-CB 4.46Å; H547-K550 HydrophobicContact CB-CD 3.85Å; H547-K550 HydrophobicContact CB-CG 4.13Å; H547-K550 WeakPolarHBondContact O-CB 3.2Å; H547-K550 PolarHBondContact O-N 3.28Å; H547-F551 VanDerWaalsContact O-CD2 3.26Å; H547-F551 WeakPolarHBondContact O-CD2 3.4Å
548P64.1Low72.4Confident16 Ų1665.6 Ų65.610%0.10430%0.301CS..G310 helixtrans-61.2-27.4-169.526.4-36.6000113.9Y26 R544 E545 K550 F551Y26-P548 HydrophobicContact CD1-CB 3.56Å; Y26-P548 HydrophobicContact CD1-CG 4.23Å; Y26-P548 HydrophobicContact CD2-CB 3.57Å; Y26-P548 HydrophobicContact CD2-CG 3.71Å; Y26-P548 HydrophobicContact CE1-CB 4.09Å; Y26-P548 HydrophobicContact CE2-CB 4.13Å; Y26-P548 HydrophobicContact CG-CB 3.29Å; Y26-P548 HydrophobicContact CG-CG 3.48Å; Y26-P548 VanDerWaalsContact CG-CG 3.48Å; R544-P548 WeakPolarHBondContact O-CA 3.32Å; R544-P548 VanDerWaalsContact O-CB 3.31Å; R544-P548 WeakPolarHBondContact O-CB 3.15Å; R544-P548 WeakPolarHBondContact O-CD 3.29Å; R544-P548 VanDerWaalsContact O-N 3.14Å; E545-P548 WeakPolarHBondContact O-CD 3.39Å; P548-K550 PolarHBondContact O-N 3.43Å; P548-K550 VanDerWaalsContact O-N 3.17Å; P548-F551 PolarHBondContact O-N 3.09Å
549Q61.3Low71.4Confident22 Ų2268.1 Ų68.110%0.10332%0.316CS..G310 helixtrans-57.5-27.1171.971.6-75.51.800113.5Y23 H547 F551 N552Y23-Q549 HydrophobicContact CD1-CB 4.33Å; Y23-Q549 HydrophobicContact CD1-CG 4.14Å; Y23-Q549 HydrophobicContact CE1-CB 4.22Å; Y23-Q549 HydrophobicContact CE1-CG 3.56Å; H547-Q549 PolarHBondContact O-N 3.17Å; H547-Q549 VanDerWaalsContact O-N 3.09Å; Q549-F551 PolarHBondContact O-N 2.66Å; Q549-N552 PolarHBondContact O-ND2 3.11Å; Q549-N552 VanDerWaalsContact O-ND2 3.13Å
550K65.8Low70.7Confident85 Ų8567.1 Ų67.137%0.3731%0.312SS..G310 helixtrans-77-12.1176.1-63.8-177.9179.9171.50112.6H547 P548 W560H547-K550 HydrophobicContact CB-CB 4.46Å; H547-K550 HydrophobicContact CB-CD 3.85Å; H547-K550 HydrophobicContact CB-CG 4.13Å; H547-K550 WeakPolarHBondContact O-CB 3.2Å; H547-K550 PolarHBondContact O-N 3.28Å; P548-K550 PolarHBondContact O-N 3.43Å; P548-K550 VanDerWaalsContact O-N 3.17Å; K550-W560 HydrophobicContact CD-CZ2 4.05Å
551F67.2Low70.1Confident11 Ų1170.4 Ų70.45%0.04833%0.325CS..G310 helixtrans-111.629.9-171.8-63.7-95.2000114.2F540 M543 R544 H547 P548 Q549 N557 W560F540-F551 HydrophobicContact CD2-CD1 4.5Å; F540-F551 AromaticContact CD2-CE1 3.82Å; F540-F551 HydrophobicContact CD2-CE1 3.82Å; F540-F551 HydrophobicContact CE1-CD1 4.44Å; F540-F551 HydrophobicContact CE1-CE1 4.5Å; F540-F551 AromaticContact CE2-CD1 3.66Å; F540-F551 HydrophobicContact CE2-CD1 3.66Å; F540-F551 AromaticContact CE2-CE1 3.39Å; F540-F551 HydrophobicContact CE2-CE1 3.39Å; F540-F551 AromaticContact CZ-CD1 3.61Å; F540-F551 HydrophobicContact CZ-CD1 3.61Å; F540-F551 AromaticContact CZ-CE1 3.77Å; F540-F551 HydrophobicContact CZ-CE1 3.77Å; M543-F551 HydrophobicContact CB-CE2 4.3Å; M543-F551 HydrophobicContact CB-CZ 3.89Å; M543-F551 WeakPolarHBondContact O-CE2 3.46Å; R544-F551 VanDerWaalsContact CA-CE2 3.44Å; R544-F551 HydrophobicContact CB-CD1 4.08Å; R544-F551 HydrophobicContact CB-CD2 3.96Å; R544-F551 HydrophobicContact CB-CE1 4.16Å; R544-F551 HydrophobicContact CB-CE2 4.07Å; R544-F551 HydrophobicContact CB-CG 3.97Å; R544-F551 HydrophobicContact CB-CZ 4.16Å; R544-F551 HydrophobicContact CG-CB 3.98Å; R544-F551 HydrophobicContact CG-CD1 4.18Å; R544-F551 HydrophobicContact CG-CD2 4.06Å; R544-F551 HydrophobicContact CG-CG 3.8Å; H547-F551 VanDerWaalsContact O-CD2 3.26Å; H547-F551 WeakPolarHBondContact O-CD2 3.4Å; P548-F551 PolarHBondContact O-N 3.09Å; Q549-F551 PolarHBondContact O-N 2.66Å; F551-N557 VanDerWaalsContact C-OD1 3.24Å; F551-N557 WeakPolarHBondContact CA-OD1 3.37Å; F551-N557 WeakPolarHBondContact CB-OD1 3.09Å; F551-N557 PolarHBondContact O-ND2 2.89Å; F551-N557 PolarHBondContact O-OD1 3.17Å; F551-W560 HydrophobicContact CE1-CB 3.93Å; F551-W560 AromaticContact CE1-CD1 3.61Å; F551-W560 AromaticContact CE1-CG 3.79Å; F551-W560 HydrophobicContact CE1-CG 3.79Å; F551-W560 HydrophobicContact CZ-CB 4.48Å; F551-W560 AromaticContact CZ-CD1 3.93Å; F551-W560 HydrophobicContact CZ-CD2 4.38Å; F551-W560 HydrophobicContact CZ-CG 4.03Å
552N62.1Low69.4Low44 Ų4474.7 Ų74.724%0.23534%0.343CS..SBendtrans-86.61.2-175.86319.6000115.2Q22 Q549Q22-N552 PolarHBondContact OE1-ND2 2.82Å; Q549-N552 PolarHBondContact O-ND2 3.11Å; Q549-N552 VanDerWaalsContact O-ND2 3.13Å
553S66.1Low68.8Low41 Ų4177.8 Ų77.829%0.28736%0.355SS..  trans-139.5133.3-177.8168.40000111.1M555 K556 N557S553-M555 VanDerWaalsContact C-N 3.26Å; S553-M555 PolarHBondContact O-N 2.92Å; S553-M555 PolarHBondContact OG-N 2.83Å; S553-K556 PolarHBondContact O-N 2.99Å; S553-K556 VanDerWaalsContact O-N 3.14Å; S553-N557 WeakPolarHBondContact O-CB 3.39Å; S553-N557 PolarHBondContact O-N 2.96Å; S553-N557 PolarHBondContact O-ND2 3.19Å; S553-N557 PolarHBondContact O-OD1 2.97Å; S553-N557 VanDerWaalsContact O-OD1 3.08Å
554R70.6Confident68.7Low50 Ų5076.1 Ų76.119%0.18935%0.347CS..Hα-helixtrans-56.6-39.8176.8-64.7-171.2-61.1-145.5-2.8112.5G465 T466 Y480 D481 N557 K558G465-R554 WeakPolarHBondContact O-CD 3.22Å; T466-R554 HydrophobicContact CG2-CB 4.41Å; Y480-R554 VanDerWaalsContact N-NH1 3.16Å; Y480-R554 VanDerWaalsContact O-CZ 3.22Å; Y480-R554 PolarHBondContact O-NH1 3Å; Y480-R554 PolarHBondContact O-NH2 3.31Å; D481-R554 IonicContact OD1-NH2 3.72Å; R554-N557 PolarHBondContact O-N 3.3Å; R554-K558 WeakPolarHBondContact O-CG 3.43Å; R554-K558 PolarHBondContact O-N 3.28Å
555M67.8Low68.2Low160 Ų16071 Ų7179%0.78833%0.331SS*.Hα-helixtrans-65.3-43.9178.6-70.4179.267.400111.3S553 K558 L559S553-M555 VanDerWaalsContact C-N 3.26Å; S553-M555 PolarHBondContact O-N 2.92Å; S553-M555 PolarHBondContact OG-N 2.83Å; M555-K558 PolarHBondContact O-N 3.08Å; M555-L559 PolarHBondContact O-N 3.34Å; M555-L559 VanDerWaalsContact O-N 3.13Å
556K67.1Low67.8Low110 Ų11067.7 Ų67.748%0.47832%0.32SS..Hα-helixtrans-64.1-42.3175.8-66.5-176.8-177.8174.70111.5S553 K558 L559 W560S553-K556 PolarHBondContact O-N 2.99Å; S553-K556 VanDerWaalsContact O-N 3.14Å; K556-K558 VanDerWaalsContact C-N 3.33Å; K556-K558 PolarHBondContact O-N 3.16Å; K556-L559 WeakPolarHBondContact O-CB 3.33Å; K556-L559 PolarHBondContact O-N 3.4Å; K556-L559 VanDerWaalsContact O-N 3.11Å; K556-W560 PolarHBondContact O-N 3.37Å
557N72.3Confident67.5Low7 Ų763.7 Ų63.74%0.03731%0.308CS..Hα-helixtrans-61.5-42.9178.9-64.6-3.6000111.2T466 F540 F551 S553 R554 L559 W560 Y561T466-N557 HydrophobicContact CG2-CB 3.6Å; T466-N557 PolarHBondContact OG1-ND2 3.3Å; T466-N557 VanDerWaalsContact OG1-ND2 3.08Å; F540-N557 HydrophobicContact CE2-CB 4.27Å; F540-N557 WeakPolarHBondContact CE2-O 3.25Å; F540-N557 HydrophobicContact CZ-CB 4.15Å; F551-N557 VanDerWaalsContact C-OD1 3.24Å; F551-N557 WeakPolarHBondContact CA-OD1 3.37Å; F551-N557 WeakPolarHBondContact CB-OD1 3.09Å; F551-N557 PolarHBondContact O-ND2 2.89Å; F551-N557 PolarHBondContact O-OD1 3.17Å; S553-N557 WeakPolarHBondContact O-CB 3.39Å; S553-N557 PolarHBondContact O-N 2.96Å; S553-N557 PolarHBondContact O-ND2 3.19Å; S553-N557 PolarHBondContact O-OD1 2.97Å; S553-N557 VanDerWaalsContact O-OD1 3.08Å; R554-N557 PolarHBondContact O-N 3.3Å; N557-L559 VanDerWaalsContact C-N 3.31Å; N557-L559 PolarHBondContact O-N 3.21Å; N557-W560 PolarHBondContact O-N 3.2Å; N557-Y561 WeakPolarHBondContact O-CD2 3.49Å; N557-Y561 PolarHBondContact O-N 2.86Å; N557-Y561 VanDerWaalsContact O-N 3.1Å
558K70.6Confident67.6Low109 Ų10961.4 Ų61.447%0.47430%0.298SS..Hα-helixtrans-61.7-38.1174-73.7-177.3178.4-168.90112.4T466 R554 M555 K556 Y561 F562T466-K558 HydrophobicContact CG2-CG 4.01Å; R554-K558 WeakPolarHBondContact O-CG 3.43Å; R554-K558 PolarHBondContact O-N 3.28Å; M555-K558 PolarHBondContact O-N 3.08Å; K556-K558 VanDerWaalsContact C-N 3.33Å; K556-K558 PolarHBondContact O-N 3.16Å; K558-Y561 PolarHBondContact O-N 3.12Å; K558-F562 PolarHBondContact O-N 3.37Å; K558-F562 VanDerWaalsContact O-N 3.13Å
559L65.1Low67.5Low113 Ų11363.6 Ų63.659%0.59231%0.311SS*.Hα-helixtrans-65.7-41.6176.2-174.163.5000111.9M555 K556 N557 Y561 F562 E563M555-L559 PolarHBondContact O-N 3.34Å; M555-L559 VanDerWaalsContact O-N 3.13Å; K556-L559 WeakPolarHBondContact O-CB 3.33Å; K556-L559 PolarHBondContact O-N 3.4Å; K556-L559 VanDerWaalsContact O-N 3.11Å; N557-L559 VanDerWaalsContact C-N 3.31Å; N557-L559 PolarHBondContact O-N 3.21Å; L559-Y561 VanDerWaalsContact C-N 3.35Å; L559-Y561 PolarHBondContact O-N 2.97Å; L559-F562 WeakPolarHBondContact O-CB 3.49Å; L559-F562 PolarHBondContact O-N 2.76Å; L559-F562 VanDerWaalsContact O-N 3.16Å; L559-E563 PolarHBondContact O-N 2.85Å
560W72Confident67.3Low53 Ų5369.3 Ų69.320%0.20134%0.34CS..Hα-helixtrans-59.1-43.9173.7-79.6120.7000112.4F540 K550 F551 K556 N557 F562 E563 F564F540-W560 HydrophobicContact CD2-CB 4.2Å; F540-W560 HydrophobicContact CE2-CB 4.13Å; K550-W560 HydrophobicContact CD-CZ2 4.05Å; F551-W560 HydrophobicContact CE1-CB 3.93Å; F551-W560 AromaticContact CE1-CD1 3.61Å; F551-W560 AromaticContact CE1-CG 3.79Å; F551-W560 HydrophobicContact CE1-CG 3.79Å; F551-W560 HydrophobicContact CZ-CB 4.48Å; F551-W560 AromaticContact CZ-CD1 3.93Å; F551-W560 HydrophobicContact CZ-CD2 4.38Å; F551-W560 HydrophobicContact CZ-CG 4.03Å; K556-W560 PolarHBondContact O-N 3.37Å; N557-W560 PolarHBondContact O-N 3.2Å; W560-F562 VanDerWaalsContact C-N 3.3Å; W560-F562 PolarHBondContact O-N 2.87Å; W560-E563 WeakPolarHBondContact CZ3-OE2 3.49Å; W560-E563 PolarHBondContact O-N 3.44Å; W560-F564 HydrophobicContact CB-CD2 4.45Å; W560-F564 HydrophobicContact CB-CE2 3.92Å; W560-F564 HydrophobicContact CD2-CZ 4.35Å; W560-F564 HydrophobicContact CE3-CE1 4.15Å; W560-F564 HydrophobicContact CE3-CE2 4.17Å; W560-F564 AromaticContact CE3-CZ 3.64Å; W560-F564 HydrophobicContact CE3-CZ 3.64Å; W560-F564 HydrophobicContact CZ3-CZ 4.28Å; W560-F564 WeakPolarHBondContact O-CD2 3.32Å; W560-F564 WeakPolarHBondContact O-CG 3.39Å; W560-F564 PolarHBondContact O-N 3.37Å
561Y70.8Confident67.2Low78 Ų7868.2 Ų68.231%0.30634%0.344SS..Hα-helixtrans-57-44173.7-92.3-76.1000112.2I536 F540 N557 K558 L559 F564 A565I536-Y561 HydrophobicContact CG2-CD1 3.98Å; I536-Y561 HydrophobicContact CG2-CE1 4.5Å; F540-Y561 HydrophobicContact CB-CD1 4.39Å; F540-Y561 HydrophobicContact CB-CE1 3.95Å; F540-Y561 HydrophobicContact CB-CE2 4.47Å; F540-Y561 HydrophobicContact CD1-CE1 4.33Å; F540-Y561 AromaticContact CD1-CE2 3.62Å; F540-Y561 HydrophobicContact CD1-CE2 3.62Å; F540-Y561 AromaticContact CD1-CZ 3.5Å; F540-Y561 VanDerWaalsContact CD1-CZ 3.5Å; F540-Y561 VanDerWaalsContact CD1-OH 3.3Å; F540-Y561 WeakPolarHBondContact CD1-OH 3.49Å; F540-Y561 HydrophobicContact CD2-CD1 4.24Å; F540-Y561 AromaticContact CD2-CD2 3.41Å; F540-Y561 HydrophobicContact CD2-CD2 3.41Å; F540-Y561 VanDerWaalsContact CD2-CD2 3.41Å; F540-Y561 HydrophobicContact CD2-CE1 4.19Å; F540-Y561 AromaticContact CD2-CE2 3.35Å; F540-Y561 HydrophobicContact CD2-CE2 3.35Å; F540-Y561 AromaticContact CD2-CG 3.87Å; F540-Y561 HydrophobicContact CD2-CG 3.87Å; F540-Y561 AromaticContact CD2-CZ 3.76Å; F540-Y561 HydrophobicContact CE1-CD2 4.46Å; F540-Y561 AromaticContact CE1-CE2 3.54Å; F540-Y561 HydrophobicContact CE1-CE2 3.54Å; F540-Y561 AromaticContact CE1-CZ 3.86Å; F540-Y561 AromaticContact CE2-CD2 3.34Å; F540-Y561 HydrophobicContact CE2-CD2 3.34Å; F540-Y561 AromaticContact CE2-CE2 3.26Å; F540-Y561 HydrophobicContact CE2-CE2 3.26Å; F540-Y561 HydrophobicContact CE2-CG 4.22Å; F540-Y561 HydrophobicContact CG-CD1 4.35Å; F540-Y561 HydrophobicContact CG-CD2 4.03Å; F540-Y561 AromaticContact CG-CE1 3.9Å; F540-Y561 HydrophobicContact CG-CE1 3.9Å; F540-Y561 AromaticContact CG-CE2 3.54Å; F540-Y561 HydrophobicContact CG-CE2 3.54Å; F540-Y561 HydrophobicContact CG-CG 4.41Å; F540-Y561 AromaticContact CG-CZ 3.45Å; F540-Y561 VanDerWaalsContact CG-CZ 3.45Å; F540-Y561 AromaticContact CZ-CD2 3.92Å; F540-Y561 HydrophobicContact CZ-CD2 3.92Å; F540-Y561 AromaticContact CZ-CE2 3.37Å; F540-Y561 HydrophobicContact CZ-CE2 3.37Å; N557-Y561 WeakPolarHBondContact O-CD2 3.49Å; N557-Y561 PolarHBondContact O-N 2.86Å; N557-Y561 VanDerWaalsContact O-N 3.1Å; K558-Y561 PolarHBondContact O-N 3.12Å; L559-Y561 VanDerWaalsContact C-N 3.35Å; L559-Y561 PolarHBondContact O-N 2.97Å; Y561-F564 PolarHBondContact O-N 3.13Å; Y561-A565 WeakPolarHBondContact O-CB 3.48Å; Y561-A565 PolarHBondContact O-N 3.42Å
562F66Low67.3Low141 Ų14168.6 Ų68.662%0.61835%0.349SS*.Hα-helixtrans-63.3-41.6176.8178.8-95.6000112.5K558 L559 W560 A565 T566K558-F562 PolarHBondContact O-N 3.37Å; K558-F562 VanDerWaalsContact O-N 3.13Å; L559-F562 WeakPolarHBondContact O-CB 3.49Å; L559-F562 PolarHBondContact O-N 2.76Å; L559-F562 VanDerWaalsContact O-N 3.16Å; W560-F562 VanDerWaalsContact C-N 3.3Å; W560-F562 PolarHBondContact O-N 2.87Å; F562-A565 PolarHBondContact O-N 3.29Å; F562-T566 PolarHBondContact O-N 3.39Å; F562-T566 PolarHBondContact O-OG1 3Å
563E70.4Confident67.7Low101 Ų10169.6 Ų69.647%0.47236%0.359SS..Hα-helixtrans-64.2-45177.6-173.1171.8167.600111.7L559 W560 T566 S567L559-E563 PolarHBondContact O-N 2.85Å; W560-E563 WeakPolarHBondContact CZ3-OE2 3.49Å; W560-E563 PolarHBondContact O-N 3.44Å; E563-T566 PolarHBondContact O-N 2.83Å; E563-S567 PolarHBondContact O-N 3.04Å
564F76.1Confident68.3Low13 Ų1367.8 Ų67.86%0.05735%0.347CS..Hα-helixtrans-66-39.6176.6-61-43000112.4I536 R539 F540 M543 W560 Y561 T566 S567 E568I536-F564 HydrophobicContact CG2-CB 4.13Å; R539-F564 HydrophobicContact CB-CD1 4.4Å; R539-F564 HydrophobicContact CB-CG 4.28Å; F540-F564 HydrophobicContact CB-CD2 3.96Å; F540-F564 HydrophobicContact CB-CE2 4.16Å; F540-F564 HydrophobicContact CD2-CD2 4.23Å; F540-F564 HydrophobicContact CD2-CE2 4.1Å; M543-F564 HydrophobicContact CB-CE2 4.28Å; M543-F564 HydrophobicContact CB-CZ 3.79Å; M543-F564 HydrophobicContact CG-CE1 4.06Å; M543-F564 HydrophobicContact CG-CE2 4.47Å; M543-F564 HydrophobicContact CG-CZ 3.61Å; W560-F564 HydrophobicContact CB-CD2 4.45Å; W560-F564 HydrophobicContact CB-CE2 3.92Å; W560-F564 HydrophobicContact CD2-CZ 4.35Å; W560-F564 HydrophobicContact CE3-CE1 4.15Å; W560-F564 HydrophobicContact CE3-CE2 4.17Å; W560-F564 AromaticContact CE3-CZ 3.64Å; W560-F564 HydrophobicContact CE3-CZ 3.64Å; W560-F564 HydrophobicContact CZ3-CZ 4.28Å; W560-F564 WeakPolarHBondContact O-CD2 3.32Å; W560-F564 WeakPolarHBondContact O-CG 3.39Å; W560-F564 PolarHBondContact O-N 3.37Å; Y561-F564 PolarHBondContact O-N 3.13Å; F564-T566 VanDerWaalsContact C-N 3.33Å; F564-T566 PolarHBondContact O-N 2.88Å; F564-S567 PolarHBondContact O-N 3.13Å; F564-E568 PolarHBondContact O-N 3.33Å
565A65.3Low68.8Low18 Ų1871.3 Ų71.315%0.14936%0.363CS..Hα-helixtrans-60.7-41.4173.300000112.3I536 Y561 F562 S567 E568 T569 A661I536-A565 HydrophobicContact CD1-CB 3.76Å; I536-A565 HydrophobicContact CG1-CB 4.42Å; Y561-A565 WeakPolarHBondContact O-CB 3.48Å; Y561-A565 PolarHBondContact O-N 3.42Å; F562-A565 PolarHBondContact O-N 3.29Å; A565-S567 VanDerWaalsContact C-N 3.35Å; A565-E568 PolarHBondContact O-N 3.16Å; A565-T569 PolarHBondContact O-N 2.97Å; A565-T569 VanDerWaalsContact O-N 3.08Å; A565-T569 PolarHBondContact O-OG1 3.06Å; A565-A661 WeakPolarHBondContact O-CB 3.27Å
566T63.2Low69.5Low66 Ų6669.4 Ų69.441%0.40535%0.35SS..Hα-helixtrans-63.5-42.6175.9-550000110.9F562 E563 F564 T569F562-T566 PolarHBondContact O-N 3.39Å; F562-T566 PolarHBondContact O-OG1 3Å; E563-T566 PolarHBondContact O-N 2.83Å; F564-T566 VanDerWaalsContact C-N 3.33Å; F564-T566 PolarHBondContact O-N 2.88Å; T566-T569 WeakPolarHBondContact O-CB 3.5Å; T566-T569 PolarHBondContact O-N 3.42Å
567S65.9Low70.4Confident42 Ų4264.2 Ų64.229%0.29433%0.328SS..Hα-helixtrans-65.6-38.7177-178.90000112.7R539 E563 F564 A565 T569 I570 S571R539-S567 VanDerWaalsContact NH1-CB 3.35Å; R539-S567 PolarHBondContact NH1-OG 2.94Å; R539-S567 PolarHBondContact NH2-OG 2.73Å; E563-S567 PolarHBondContact O-N 3.04Å; F564-S567 PolarHBondContact O-N 3.13Å; A565-S567 VanDerWaalsContact C-N 3.35Å; S567-T569 VanDerWaalsContact C-N 3.31Å; S567-T569 PolarHBondContact O-N 3.37Å; S567-I570 PolarHBondContact O-N 3.4Å; S567-I570 VanDerWaalsContact O-N 3.16Å; S567-S571 PolarHBondContact O-N 3.48Å
568E69.6Low71.1Confident10 Ų1065.5 Ų65.55%0.04734%0.338CS..Hα-helixtrans-66.4-32.2175.8-77.2-57.8107.700112.9V532 S535 I536 R539 F564 A565 I570 S571 A572 S573V532-E568 HydrophobicContact CG2-CB 4.4Å; S535-E568 VanDerWaalsContact OG-CD 3.23Å; S535-E568 PolarHBondContact OG-OE2 3.46Å; I536-E568 HydrophobicContact CG1-CB 4.08Å; I536-E568 HydrophobicContact CG1-CG 3.73Å; R539-E568 WeakPolarHBondContact CD-OE1 3.45Å; R539-E568 IonicContact CZ-OE1 3.24Å; R539-E568 IonicContact NE-OE1 3.57Å; R539-E568 IonicContact NH1-OE1 2.78Å; R539-E568 PolarHBondContact NH1-OE1 3.41Å; F564-E568 PolarHBondContact O-N 3.33Å; A565-E568 PolarHBondContact O-N 3.16Å; E568-I570 PolarHBondContact O-N 3.19Å; E568-S571 WeakPolarHBondContact CA-OG 2.81Å; E568-S571 PolarHBondContact O-N 3.09Å; E568-S571 PolarHBondContact O-OG 3.4Å; E568-S571 PolarHBondContact OE1-OG 2.89Å; E568-S571 VanDerWaalsContact OE1-OG 3.14Å; E568-A572 PolarHBondContact O-N 3.25Å; E568-S573 PolarHBondContact OE2-OG 2.72Å
569T63.3Low71.9Confident62 Ų6265.7 Ų65.738%0.3834%0.34SS..Hα-helixtrans-58.5-33172.9-52.30000111.6A565 T566 S567 A661 M662A565-T569 PolarHBondContact O-N 2.97Å; A565-T569 VanDerWaalsContact O-N 3.08Å; A565-T569 PolarHBondContact O-OG1 3.06Å; T566-T569 WeakPolarHBondContact O-CB 3.5Å; T566-T569 PolarHBondContact O-N 3.42Å; S567-T569 VanDerWaalsContact C-N 3.31Å; S567-T569 PolarHBondContact O-N 3.37Å; T569-A661 WeakPolarHBondContact OG1-CB 3.33Å; T569-M662 HydrophobicContact CG2-CB 4.15Å
570I56.7Low73.1Confident141 Ų14160.9 Ų60.972%0.72332%0.316SS*.Hα-helixtrans-84.4-42-179.4-58.5169.2000111S567 E568S567-I570 PolarHBondContact O-N 3.4Å; S567-I570 VanDerWaalsContact O-N 3.16Å; E568-I570 PolarHBondContact O-N 3.19Å
571S62.5Low74.1Confident63 Ų6358.5 Ų58.544%0.44131%0.307SS..Hα-helixtrans-72.8-31.6-178.268.20000112.9S567 E568 S573S567-S571 PolarHBondContact O-N 3.48Å; E568-S571 WeakPolarHBondContact CA-OG 2.81Å; E568-S571 PolarHBondContact O-N 3.09Å; E568-S571 PolarHBondContact O-OG 3.4Å; E568-S571 PolarHBondContact OE1-OG 2.89Å; E568-S571 VanDerWaalsContact OE1-OG 3.14Å; S571-S573 PolarHBondContact O-N 2.93Å
572A69.3Low75.3Confident18 Ų1858.1 Ų58.115%0.14931%0.313CS..  trans51.139.3178.400000114.1E568 C574 K575E568-A572 PolarHBondContact O-N 3.25Å; A572-C574 PolarHBondContact O-N 3.33Å; A572-C574 VanDerWaalsContact O-N 3.1Å; A572-K575 HydrophobicContact CB-CD 3.57Å; A572-K575 HydrophobicContact CB-CG 3.93Å; A572-K575 PolarHBondContact O-N 2.9Å
573S70.8Confident76.8Confident65 Ų6551.6 Ų51.646%0.45529%0.285SS..THydrogen-bonded Turntrans-56.2-27.5-17362.20000114.3E568 S571E568-S573 PolarHBondContact OE2-OG 2.72Å; S571-S573 PolarHBondContact O-N 2.93Å
574C78.6Confident78.1Confident4 Ų450.3 Ų50.33%0.02728%0.279CS..THydrogen-bonded Turntrans-110.917.4-172.4-61.80000114.2V532 A572 E598V532-C574 HydrophobicContact CB-CB 4.44Å; A572-C574 PolarHBondContact O-N 3.33Å; A572-C574 VanDerWaalsContact O-N 3.1Å; C574-E598 HydrophobicContact CB-CB 4.44Å; C574-E598 VanDerWaalsContact CB-O 3.24Å; C574-E598 WeakPolarHBondContact CB-O 3.29Å
575K81.4Confident79Confident124 Ų12449.7 Ų49.754%0.53928%0.276SS..THydrogen-bonded Turntrans-54.9145.7176.7-86.6178.2174.9158.60112.6A572 E598A572-K575 HydrophobicContact CB-CD 3.57Å; A572-K575 HydrophobicContact CB-CG 3.93Å; A572-K575 PolarHBondContact O-N 2.9Å; K575-E598 HydrophobicContact CG-CG 4.39Å; K575-E598 WeakPolarHBondContact CG-OE1 3.21Å
576K82.4Confident80.4Confident119 Ų11950.5 Ų50.552%0.51728%0.28SS..THydrogen-bonded Turntrans58.943.9179.3-58.5168152-120.20112.5S578 E579 S580K576-S578 PolarHBondContact O-N 3.01Å; K576-E579 HydrophobicContact CB-CB 4.49Å; K576-E579 HydrophobicContact CB-CG 4.2Å; K576-E579 IonicContact NZ-OE1 3.37Å; K576-E579 PolarHBondContact NZ-OE1 3.25Å; K576-E579 IonicContact NZ-OE2 2.93Å; K576-E579 PolarHBondContact NZ-OE2 2.88Å; K576-E579 PolarHBondContact O-N 3.4Å; K576-E579 VanDerWaalsContact O-N 3.16Å; K576-S580 PolarHBondContact O-OG 2.88Å
577L86.8Confident81.8Confident1 Ų149.8 Ų49.81%0.00529%0.285CS..Hα-helixtrans-59.5-36.8179.8-173.563.9000111.5I530 E579 S580 L581 L597 G599 I600 L691I530-L577 HydrophobicContact CG2-CD1 4.45Å; L577-E579 PolarHBondContact O-N 3.02Å; L577-S580 WeakPolarHBondContact O-CA 3.09Å; L577-S580 WeakPolarHBondContact O-CB 3.49Å; L577-S580 PolarHBondContact O-N 3.23Å; L577-L581 HydrophobicContact CD1-CD2 3.78Å; L577-L581 HydrophobicContact CD2-CD2 4.15Å; L577-L581 HydrophobicContact CG-CD2 3.73Å; L577-L581 HydrophobicContact CG-CG 4.36Å; L577-L581 PolarHBondContact O-N 2.89Å; L577-L597 WeakPolarHBondContact CB-O 3.17Å; L577-L597 PolarHBondContact N-O 2.93Å; L577-L597 VanDerWaalsContact N-O 3.09Å; L577-G599 VanDerWaalsContact CD2-CA 3.43Å; L577-I600 HydrophobicContact CD2-CG1 3.99Å; L577-L691 HydrophobicContact CD1-CD1 3.91Å; L577-L691 HydrophobicContact CD1-CD2 3.77Å
578S85.2Confident83.1Confident34 Ų3450.6 Ų50.624%0.23829%0.289CS..Hα-helixtrans-60.3-25.417852.20000114.4K576 S580K576-S578 PolarHBondContact O-N 3.01Å; S578-S580 VanDerWaalsContact C-N 3.29Å
579E88.3Confident84.3Confident114 Ų11454.9 Ų54.953%0.53332%0.317SS..Hα-helixtrans-76.7-21.2173.9-62.1176.8-164.800111.8K576 L577 K688K576-E579 HydrophobicContact CB-CB 4.49Å; K576-E579 HydrophobicContact CB-CG 4.2Å; K576-E579 IonicContact NZ-OE1 3.37Å; K576-E579 PolarHBondContact NZ-OE1 3.25Å; K576-E579 IonicContact NZ-OE2 2.93Å; K576-E579 PolarHBondContact NZ-OE2 2.88Å; K576-E579 PolarHBondContact O-N 3.4Å; K576-E579 VanDerWaalsContact O-N 3.16Å; L577-E579 PolarHBondContact O-N 3.02Å; E579-K688 PolarHBondContact O-NZ 3.08Å
580S90.2Very high85.7Confident11 Ų1153 Ų538%0.07731%0.305CS..Hα-helixtrans-101-9.6-167-52.40000114.1K576 L577 S578 K688 K689K576-S580 PolarHBondContact O-OG 2.88Å; L577-S580 WeakPolarHBondContact O-CA 3.09Å; L577-S580 WeakPolarHBondContact O-CB 3.49Å; L577-S580 PolarHBondContact O-N 3.23Å; S578-S580 VanDerWaalsContact C-N 3.29Å; S580-K688 PolarHBondContact O-N 3.16Å; S580-K689 WeakPolarHBondContact OG-CD 3.48Å; S580-K689 WeakPolarHBondContact OG-CE 3.34Å; S580-K689 PolarHBondContact OG-NZ 3.38Å
581L94.1Very high87.3Confident4 Ų451.5 Ų51.52%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-147.5162.1178.563.980.9000112.4I530 L577 I583 L592 I685 R686 T687 L691I530-L581 HydrophobicContact CG2-CD2 4.3Å; L577-L581 HydrophobicContact CD1-CD2 3.78Å; L577-L581 HydrophobicContact CD2-CD2 4.15Å; L577-L581 HydrophobicContact CG-CD2 3.73Å; L577-L581 HydrophobicContact CG-CG 4.36Å; L577-L581 PolarHBondContact O-N 2.89Å; L581-I583 HydrophobicContact CD1-CD1 3.86Å; L581-I583 HydrophobicContact CD1-CG1 3.55Å; L581-L592 HydrophobicContact CD1-CD1 3.89Å; L581-I685 HydrophobicContact CB-CG2 4.45Å; L581-R686 CarbonylContact C-O 3.51Å; L581-R686 WeakPolarHBondContact CA-O 3.3Å; L581-R686 WeakPolarHBondContact CB-O 3.22Å; L581-T687 HydrophobicContact CB-CG2 4.27Å; L581-L691 HydrophobicContact CD2-CD1 4.26Å
582T95.8Very high88.5Confident69 Ų6949.1 Ų49.142%0.42328%0.28SS..EExtended strand (participates in β ladder)trans-126.5144.2168.558.40000109.5I685 R686T582-I685 WeakPolarHBondContact O-CA 3.31Å; T582-R686 PolarHBondContact N-O 3.02Å; T582-R686 PolarHBondContact O-N 2.84Å
583I96.8Very high89.1Confident5 Ų552.5 Ų52.53%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-122.5133.6179.1-51.5176.8000108.9L581 L590 L592 I600 V655 I683 T684 I685L581-I583 HydrophobicContact CD1-CD1 3.86Å; L581-I583 HydrophobicContact CD1-CG1 3.55Å; I583-L590 HydrophobicContact CB-CB 4.39Å; I583-L590 HydrophobicContact CB-CD1 4.09Å; I583-L590 HydrophobicContact CB-CG 4.36Å; I583-L590 HydrophobicContact CG2-CD1 3.77Å; I583-L590 HydrophobicContact CG2-CG 4.26Å; I583-L590 PolarHBondContact O-N 2.87Å; I583-L592 HydrophobicContact CD1-CD1 4.16Å; I583-L592 HydrophobicContact CG1-CD1 4.35Å; I583-I600 HydrophobicContact CD1-CD1 3.83Å; I583-I600 HydrophobicContact CD1-CG1 3.98Å; I583-I600 HydrophobicContact CD1-CG2 3.96Å; I583-V655 HydrophobicContact CD1-CG1 4.46Å; I583-I683 HydrophobicContact CG2-CG2 3.85Å; I583-T684 WeakPolarHBondContact CA-O 3.36Å; I583-I685 HydrophobicContact CG1-CG1 4.43Å; I583-I685 HydrophobicContact CG1-CG2 4.45Å; I583-I685 HydrophobicContact CG2-CG1 4.42Å
584E97Very high89.4Confident74 Ų7456 Ų5635%0.34632%0.317SS..EExtended strand (participates in β ladder)trans-124.2132173.3-169.2-173.7116.700109.1G587 T588 I683 T684E584-G587 WeakPolarHBondContact OE1-CA 3.19Å; E584-G587 PolarHBondContact OE1-N 2.95Å; E584-T588 WeakPolarHBondContact CA-O 3.23Å; E584-I683 WeakPolarHBondContact O-CA 3.14Å; E584-T684 PolarHBondContact N-O 3.5Å; E584-T684 PolarHBondContact O-N 3.3Å
585C96.8Very high89.3Confident0 Ų057.4 Ų57.40%033%0.325CS..EExtended strand (participates in β ladder)trans-114.6113.2178.2-65.40000108.4G587 T588 V634 T680 Q682C585-G587 VanDerWaalsContact C-N 3.32Å; C585-G587 PolarHBondContact O-N 2.76Å; C585-T588 PolarHBondContact N-O 2.87Å; C585-T588 WeakPolarHBondContact O-CA 3.28Å; C585-T588 VanDerWaalsContact O-CB 3.27Å; C585-T588 WeakPolarHBondContact O-CB 3.5Å; C585-T588 PolarHBondContact O-N 3.11Å; C585-V634 HydrophobicContact CB-CG1 3.79Å; C585-V634 HydrophobicContact CB-CG2 4.27Å; C585-V634 WeakPolarHBondContact O-CG2 3.47Å; C585-T680 HydrophobicContact CB-CG2 4.04Å; C585-Q682 WeakPolarHBondContact CA-O 3.45Å
586C93.9Very high89.5Confident35 Ų3555.8 Ų55.824%0.23633%0.33CS..THydrogen-bonded Turntrans36.255.9-171.7-43.80000114T588 V634 T680 S681 Q682C586-T588 VanDerWaalsContact C-N 3.27Å; C586-T588 PolarHBondContact O-N 2.76Å; C586-V634 HydrophobicContact CB-CG2 3.36Å; C586-V634 VanDerWaalsContact SG-CG2 3.56Å; C586-T680 PolarHBondContact SG-OG1 3.35Å; C586-S681 PolarHBondContact SG-OG 3.34Å; C586-Q682 PolarHBondContact N-O 2.93Å; C586-Q682 PolarHBondContact SG-N 2.89Å; C586-Q682 VanDerWaalsContact SG-N 3.42Å
587G91.8Very high89.8Confident50 Ų5050.2 Ų50.252%0.51531%0.305SS..THydrogen-bonded Turntrans84.6-13.7-178.800000115.6E584 C585 P589E584-G587 WeakPolarHBondContact OE1-CA 3.19Å; E584-G587 PolarHBondContact OE1-N 2.95Å; C585-G587 VanDerWaalsContact C-N 3.32Å; C585-G587 PolarHBondContact O-N 2.76Å; G587-P589 WeakPolarHBondContact O-CD 3.41Å
588T94Very high89.9Confident60 Ų6051.2 Ų51.237%0.36831%0.31SS..EExtended strand (participates in β ladder)trans-95.7113.1-177.7-54.90000110.7E584 C585 C586E584-T588 WeakPolarHBondContact CA-O 3.23Å; C585-T588 PolarHBondContact N-O 2.87Å; C585-T588 WeakPolarHBondContact O-CA 3.28Å; C585-T588 VanDerWaalsContact O-CB 3.27Å; C585-T588 WeakPolarHBondContact O-CB 3.5Å; C585-T588 PolarHBondContact O-N 3.11Å; C586-T588 VanDerWaalsContact C-N 3.27Å; C586-T588 PolarHBondContact O-N 2.76Å
589P94.8Very high90.2Very high99 Ų9949.6 Ų49.664%0.64330%0.299SS*.EExtended strand (participates in β ladder)trans-68.7137.4176.927.8-33.4000111.1G587G587-P589 WeakPolarHBondContact O-CD 3.41Å
590L93.2Very high90.5Very high24 Ų2444.3 Ų44.313%0.12627%0.274CS..  trans-85.5129.4173.5-61.2-172.8000110.9I583 L592 V636 V655 L677 A678I583-L590 HydrophobicContact CB-CB 4.39Å; I583-L590 HydrophobicContact CB-CD1 4.09Å; I583-L590 HydrophobicContact CB-CG 4.36Å; I583-L590 HydrophobicContact CG2-CD1 3.77Å; I583-L590 HydrophobicContact CG2-CG 4.26Å; I583-L590 PolarHBondContact O-N 2.87Å; L590-L592 HydrophobicContact CB-CD2 4.32Å; L590-L592 PolarHBondContact O-N 3.06Å; L590-V636 HydrophobicContact CD2-CB 4.44Å; L590-V636 HydrophobicContact CD2-CG1 3.38Å; L590-V655 HydrophobicContact CD1-CG1 4.17Å; L590-L677 HydrophobicContact CD1-CB 4.25Å; L590-A678 HydrophobicContact CD1-CB 4.14Å; L590-A678 HydrophobicContact CD2-CB 4.03Å
591D89.2Confident90.7Very high108 Ų10843.8 Ų43.858%0.57827%0.27SS*.  trans-81.6108.3171.7-179.116.1000110.6S593D591-S593 WeakPolarHBondContact OD1-CB 3.44Å; D591-S593 PolarHBondContact OD1-N 3.11Å; D591-S593 PolarHBondContact OD1-OG 3.39Å; D591-S593 PolarHBondContact OD2-OG 3.22Å
592L88.8Confident90.8Very high13 Ų1343.6 Ų43.67%0.06827%0.269CS..  trans-100.53.3177.9-54.4179.9000112.8L581 I583 L590 N594 V595 L597 L677L581-L592 HydrophobicContact CD1-CD1 3.89Å; I583-L592 HydrophobicContact CD1-CD1 4.16Å; I583-L592 HydrophobicContact CG1-CD1 4.35Å; L590-L592 HydrophobicContact CB-CD2 4.32Å; L590-L592 PolarHBondContact O-N 3.06Å; L592-N594 VanDerWaalsContact C-N 3.28Å; L592-N594 PolarHBondContact O-N 3.23Å; L592-V595 PolarHBondContact O-N 3.13Å; L592-L597 HydrophobicContact CD2-CD1 4.16Å; L592-L677 HydrophobicContact CD2-CD1 3.99Å; L592-L677 HydrophobicContact CD2-CD2 4.45Å
593S80.9Confident90.7Very high89 Ų8940.4 Ų40.462%0.62225%0.25SC*.THydrogen-bonded Turntrans-65.8-29.4-171.163.10000113.8D591D591-S593 WeakPolarHBondContact OD1-CB 3.44Å; D591-S593 PolarHBondContact OD1-N 3.11Å; D591-S593 PolarHBondContact OD1-OG 3.39Å; D591-S593 PolarHBondContact OD2-OG 3.22Å
594N77.3Confident90.6Very high140 Ų14040.1 Ų40.175%0.74925%0.248SC*.THydrogen-bonded Turntrans-91.22.5-176.2-63.8-49.7000113.8L592L592-N594 VanDerWaalsContact C-N 3.28Å; L592-N594 PolarHBondContact O-N 3.23Å
595V77.4Confident90.3Very high33 Ų3336.7 Ų36.720%0.223%0.232CC..  trans-128.8122.9-173.7-158.90000110.4L592 L597L592-V595 PolarHBondContact O-N 3.13Å; V595-L597 HydrophobicContact CB-CD1 4.43Å; V595-L597 HydrophobicContact CB-CD2 4.24Å; V595-L597 HydrophobicContact CB-CG 4.02Å; V595-L597 HydrophobicContact CG1-CD1 4.44Å; V595-L597 HydrophobicContact CG1-CD2 3.44Å; V595-L597 VanDerWaalsContact CG1-CD2 3.44Å; V595-L597 HydrophobicContact CG1-CG 3.78Å; V595-L597 PolarHBondContact O-N 3.22Å; V595-L597 VanDerWaalsContact O-N 3.09Å
596S84.6Confident89.6Confident90 Ų9038.8 Ų38.863%0.62925%0.246SC*.  trans-81.886.3175.8178.50000109.7E659S596-E659 WeakPolarHBondContact O-CA 3.12Å
597L88.6Confident88.8Confident1 Ų137.5 Ų37.51%0.00524%0.237CC..  trans-93.5139.1-178.5-59.4178.1000112.1L577 L592 V595 I600 L658 E659 L677L577-L597 WeakPolarHBondContact CB-O 3.17Å; L577-L597 PolarHBondContact N-O 2.93Å; L577-L597 VanDerWaalsContact N-O 3.09Å; L592-L597 HydrophobicContact CD2-CD1 4.16Å; V595-L597 HydrophobicContact CB-CD1 4.43Å; V595-L597 HydrophobicContact CB-CD2 4.24Å; V595-L597 HydrophobicContact CB-CG 4.02Å; V595-L597 HydrophobicContact CG1-CD1 4.44Å; V595-L597 HydrophobicContact CG1-CD2 3.44Å; V595-L597 VanDerWaalsContact CG1-CD2 3.44Å; V595-L597 HydrophobicContact CG1-CG 3.78Å; V595-L597 PolarHBondContact O-N 3.22Å; V595-L597 VanDerWaalsContact O-N 3.09Å; L597-I600 HydrophobicContact CD1-CD1 3.66Å; L597-L658 CarbonylContact C-O 3.55Å; L597-L658 WeakPolarHBondContact CA-O 3.37Å; L597-E659 HydrophobicContact CD2-CG 4.4Å; L597-L677 HydrophobicContact CD1-CD1 4.06Å
598E90.3Very high88.1Confident23 Ų2335.1 Ų35.111%0.10721%0.213CC..SBendtrans-110.9-10.3168.1-66.8-174.2179.400111.8G531 V532 C574 K575 L658 E659 G660G531-E598 WeakPolarHBondContact CA-O 3.38Å; V532-E598 HydrophobicContact CB-CB 4.15Å; V532-E598 HydrophobicContact CG1-CB 4.16Å; V532-E598 PolarHBondContact N-O 3.44Å; C574-E598 HydrophobicContact CB-CB 4.44Å; C574-E598 VanDerWaalsContact CB-O 3.24Å; C574-E598 WeakPolarHBondContact CB-O 3.29Å; K575-E598 HydrophobicContact CG-CG 4.39Å; K575-E598 WeakPolarHBondContact CG-OE1 3.21Å; E598-L658 PolarHBondContact N-O 3.03Å; E598-E659 VanDerWaalsContact CG-O 3.32Å; E598-E659 WeakPolarHBondContact CG-O 3.4Å; E598-G660 WeakPolarHBondContact OE2-CA 3.02Å
599G91.6Very high86.8Confident0 Ų034.4 Ų34.40%021%0.205CC..EExtended strand (participates in β ladder)trans-151.3156.7175.900000113.8I530 L577 L658I530-G599 CarbonylContact O-C 3.58Å; I530-G599 VanDerWaalsContact O-CA 3.23Å; I530-G599 WeakPolarHBondContact O-CA 3.24Å; L577-G599 VanDerWaalsContact CD2-CA 3.43Å; G599-L658 PolarHBondContact N-O 3.24Å; G599-L658 PolarHBondContact O-N 3.44Å
600I93.9Very high85.3Confident2 Ų230.6 Ų30.61%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-126.1134.7168.6-63.5-69.7000107.5S529 I530 L577 I583 L597 V655 V656 L677S529-I600 CarbonylContact C-O 3.59Å; S529-I600 WeakPolarHBondContact CA-O 3.1Å; S529-I600 VanDerWaalsContact CB-O 3.27Å; S529-I600 WeakPolarHBondContact CB-O 3.15Å; I530-I600 PolarHBondContact N-O 2.93Å; I530-I600 PolarHBondContact O-N 2.86Å; L577-I600 HydrophobicContact CD2-CG1 3.99Å; I583-I600 HydrophobicContact CD1-CD1 3.83Å; I583-I600 HydrophobicContact CD1-CG1 3.98Å; I583-I600 HydrophobicContact CD1-CG2 3.96Å; L597-I600 HydrophobicContact CD1-CD1 3.66Å; I600-V655 HydrophobicContact CG2-CG1 4.21Å; I600-V656 CarbonylContact C-O 3.47Å; I600-V656 WeakPolarHBondContact CA-O 3.49Å; I600-L677 HydrophobicContact CD1-CD1 3.74Å
601A94.1Very high83.9Confident0 Ų030.9 Ų30.90%019%0.193CC..EExtended strand (participates in β ladder)trans-123139.1171.500000110.5F528 L603 M608 V656 L658F528-A601 CarbonylContact O-C 3.52Å; F528-A601 WeakPolarHBondContact O-CA 3.36Å; A601-L603 HydrophobicContact CB-CD2 3.84Å; A601-M608 HydrophobicContact CB-CE 3.72Å; A601-M608 HydrophobicContact CB-SD 4.29Å; A601-V656 HydrophobicContact CB-CB 4.49Å; A601-V656 PolarHBondContact N-O 3.37Å; A601-V656 PolarHBondContact O-N 2.61Å; A601-L658 HydrophobicContact CB-CD1 4.45Å
602V96.2Very high82.8Confident1 Ų126.6 Ų26.61%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-117.2113.7178.2175.40000107.3Y527 F528 L653 E654 I683 I709Y527-V602 CarbonylContact C-O 3.59Å; Y527-V602 WeakPolarHBondContact CA-O 3.36Å; Y527-V602 VanDerWaalsContact CB-O 3.31Å; Y527-V602 WeakPolarHBondContact CB-O 3.49Å; F528-V602 HydrophobicContact CB-CB 4.32Å; F528-V602 HydrophobicContact CD1-CB 4.23Å; F528-V602 HydrophobicContact CD1-CG2 4.07Å; F528-V602 PolarHBondContact N-O 2.66Å; F528-V602 PolarHBondContact O-N 2.66Å; V602-L653 HydrophobicContact CG1-CB 4.01Å; V602-L653 HydrophobicContact CG1-CD1 3.65Å; V602-L653 HydrophobicContact CG1-CD2 4.09Å; V602-L653 HydrophobicContact CG1-CG 4.13Å; V602-E654 CarbonylContact C-O 3.59Å; V602-E654 WeakPolarHBondContact CA-O 3.48Å; V602-I683 HydrophobicContact CB-CD1 4.36Å; V602-I683 HydrophobicContact CG1-CD1 3.44Å; V602-I683 VanDerWaalsContact CG1-CD1 3.44Å; V602-I683 HydrophobicContact CG2-CD1 3.94Å; V602-I709 HydrophobicContact CB-CD1 4.5Å; V602-I709 HydrophobicContact CG1-CD1 4.16Å; V602-I709 HydrophobicContact CG2-CD1 4.29Å
603L94.6Very high82.1Confident1 Ų129 Ų291%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-113.5131.4-164.7-43.5-176.7000111.5Y527 A601 M608 L614 W615 L653 E654 V656Y527-L603 HydrophobicContact CG-CD2 4.37Å; A601-L603 HydrophobicContact CB-CD2 3.84Å; L603-M608 HydrophobicContact CD1-CE 4.13Å; L603-M608 HydrophobicContact CD2-CE 3.47Å; L603-M608 VanDerWaalsContact CD2-CE 3.47Å; L603-M608 HydrophobicContact CD2-CG 3.76Å; L603-M608 HydrophobicContact CD2-SD 3.12Å; L603-M608 WeakPolarHBondContact CD2-SD 3.29Å; L603-M608 HydrophobicContact CG-CE 4.43Å; L603-M608 HydrophobicContact CG-SD 4.43Å; L603-L614 HydrophobicContact CD1-CD1 3.31Å; L603-W615 HydrophobicContact CD1-CH2 4.07Å; L603-W615 HydrophobicContact CD1-CZ3 4.14Å; L603-L653 WeakPolarHBondContact O-CA 2.99Å; L603-L653 VanDerWaalsContact O-CD2 3.25Å; L603-L653 WeakPolarHBondContact O-CD2 3.4Å; L603-E654 HydrophobicContact CB-CB 4.21Å; L603-E654 PolarHBondContact N-O 3.39Å; L603-E654 PolarHBondContact O-N 3.45Å; L603-V656 HydrophobicContact CD1-CG2 3.66Å; L603-V656 HydrophobicContact CG-CG2 4.12Å
604N94.7Very high81.9Confident0 Ų025.2 Ų25.20%016%0.157CC..SBendtrans-97.9-27.7167.9-173.358.2000112D501 W503 N525 N526 L653D501-N604 PolarHBondContact O-ND2 2.82Å; D501-N604 PolarHBondContact O-OD1 2.93Å; W503-N604 PolarHBondContact NE1-OD1 3.48Å; N525-N604 PolarHBondContact O-ND2 3.45Å; N526-N604 VanDerWaalsContact O-CB 3.32Å; N526-N604 WeakPolarHBondContact O-CB 3.26Å; N526-N604 PolarHBondContact O-N 2.86Å; N604-L653 HydrophobicContact CB-CD2 3.89Å
605I90.5Very high81.8Confident1 Ų120.9 Ų20.91%0.00513%0.13CC..SBendtrans-120.5152-178.765169.8000112.3D469 L470 C473 N526 S607 Q646 L648D469-I605 HydrophobicContact CB-CD1 3.99Å; L470-I605 HydrophobicContact CD1-CG2 4.43Å; C473-I605 HydrophobicContact CB-CB 4.38Å; C473-I605 HydrophobicContact CB-CD1 4.42Å; N526-I605 HydrophobicContact CB-CD1 3.72Å; N526-I605 HydrophobicContact CB-CG1 4.05Å; N526-I605 PolarHBondContact O-N 3.4Å; I605-S607 WeakPolarHBondContact CD1-O 3.02Å; I605-S607 WeakPolarHBondContact CG1-O 3.01Å; I605-S607 PolarHBondContact O-N 3.42Å; I605-Q646 VanDerWaalsContact C-NE2 3.3Å; I605-Q646 PolarHBondContact O-NE2 2.9Å; I605-L648 HydrophobicContact CG2-CB 4.46Å
606P81Confident81.2Confident45 Ų4520.9 Ų20.929%0.29214%0.137SC..SBendtrans-75.516.5177.831.7-39000115.7C473 Q646C473-P606 VanDerWaalsContact SG-CD 3.58Å; P606-Q646 HydrophobicContact CB-CG 4.46Å; P606-Q646 VanDerWaalsContact CB-OE1 3.22Å
607S77.2Confident79.9Confident7 Ų725.5 Ų25.55%0.04915%0.148CC..  trans-131125.2-179.4-178.20000109.8D469 I605 G611D469-S607 PolarHBondContact OD1-OG 2.92Å; I605-S607 WeakPolarHBondContact CD1-O 3.02Å; I605-S607 WeakPolarHBondContact CG1-O 3.01Å; I605-S607 PolarHBondContact O-N 3.42Å; S607-G611 VanDerWaalsContact OG-CA 3.25Å; S607-G611 WeakPolarHBondContact OG-CA 3.13Å
608M76.4Confident78.3Confident1 Ų129.1 Ų29.11%0.00517%0.171CC..BIsolated β-bridgetrans-132.3155.6169.9-75-143-68.300112.1D469 Y527 A601 L603 G610 G611 S612 L614D469-M608 WeakPolarHBondContact OD1-CA 3.39Å; Y527-M608 HydrophobicContact CD1-CG 3.62Å; Y527-M608 HydrophobicContact CD1-SD 3.82Å; Y527-M608 HydrophobicContact CD2-CG 4.4Å; Y527-M608 HydrophobicContact CD2-SD 3.51Å; Y527-M608 VanDerWaalsContact CD2-SD 3.51Å; Y527-M608 HydrophobicContact CE1-CB 4.3Å; Y527-M608 HydrophobicContact CE1-CG 3.88Å; Y527-M608 HydrophobicContact CE1-SD 4.19Å; Y527-M608 HydrophobicContact CE2-SD 3.91Å; Y527-M608 HydrophobicContact CG-CG 3.93Å; Y527-M608 HydrophobicContact CG-SD 3.48Å; A601-M608 HydrophobicContact CB-CE 3.72Å; A601-M608 HydrophobicContact CB-SD 4.29Å; L603-M608 HydrophobicContact CD1-CE 4.13Å; L603-M608 HydrophobicContact CD2-CE 3.47Å; L603-M608 VanDerWaalsContact CD2-CE 3.47Å; L603-M608 HydrophobicContact CD2-CG 3.76Å; L603-M608 HydrophobicContact CD2-SD 3.12Å; L603-M608 WeakPolarHBondContact CD2-SD 3.29Å; L603-M608 HydrophobicContact CG-CE 4.43Å; L603-M608 HydrophobicContact CG-SD 4.43Å; M608-G610 PolarHBondContact O-N 2.86Å; M608-G611 PolarHBondContact O-N 2.82Å; M608-S612 PolarHBondContact N-O 2.92Å; M608-S612 VanDerWaalsContact N-O 3.14Å; M608-S612 WeakPolarHBondContact O-CA 3.25Å; M608-S612 VanDerWaalsContact O-CB 3.28Å; M608-S612 WeakPolarHBondContact O-CB 3.17Å; M608-S612 PolarHBondContact O-N 3.05Å; M608-L614 HydrophobicContact CE-CD1 3.45Å; M608-L614 VanDerWaalsContact CE-CD1 3.45Å; M608-L614 HydrophobicContact CE-CD2 4.19Å; M608-L614 HydrophobicContact CE-CG 4.36Å
609H67.1Low76.2Confident44 Ų4437.5 Ų37.520%0.20421%0.207CC..THydrogen-bonded Turntrans55.647.5171.7-52.2-59.3000113.9D469 D533 M664 Y668D469-H609 PolarHBondContact OD1-N 3.44Å; D469-H609 PolarHBondContact OD2-N 3.08Å; D533-H609 IonicContact OD1-CE1 2.97Å; D533-H609 PolarHBondContact OD1-CE1 3.43Å; D533-H609 IonicContact OD1-ND1 2.66Å; D533-H609 PolarHBondContact OD1-ND1 2.81Å; D533-H609 IonicContact OD1-NE2 3.4Å; D533-H609 IonicContact OD2-CE1 3.89Å; D533-H609 PolarHBondContact OD2-CE1 2.88Å; D533-H609 IonicContact OD2-NE2 3.48Å; H609-M664 WeakPolarHBondContact NE2-CE 3.26Å; H609-Y668 HydrophobicContact CB-CD1 4.33Å; H609-Y668 HydrophobicContact CB-CE1 3.45Å; H609-Y668 VanDerWaalsContact CB-CE1 3.45Å; H609-Y668 WeakPolarHBondContact CB-OH 3.42Å; H609-Y668 AromaticContact CD2-CE1 3.5Å; H609-Y668 VanDerWaalsContact CD2-CE1 3.5Å; H609-Y668 WeakPolarHBondContact CD2-CE1 3.33Å; H609-Y668 AromaticContact CD2-CZ 3.75Å; H609-Y668 PolarHBondContact CD2-OH 2.89Å; H609-Y668 AromaticContact CG-CE1 3.65Å; H609-Y668 AromaticContact CG-CZ 3.66Å
610G63.8Low73.8Confident19 Ų1947.6 Ų47.620%0.19625%0.251CS..THydrogen-bonded Turntrans7734.5178.100000114.2G467 D469 R472 M608G467-G610 WeakPolarHBondContact O-CA 3.48Å; D469-G610 WeakPolarHBondContact OD1-CA 3.45Å; D469-G610 PolarHBondContact OD1-N 2.7Å; D469-G610 PolarHBondContact OD2-N 2.7Å; R472-G610 PolarHBondContact NE-O 3.31Å; R472-G610 VanDerWaalsContact NH2-C 3.35Å; R472-G610 PolarHBondContact NH2-O 2.85Å; M608-G610 PolarHBondContact O-N 2.86Å
611G63.7Low71.3Confident31 Ų3151 Ų5132%0.3228%0.279SS..THydrogen-bonded Turntrans111.67.4168.300000117.3D469 S607 M608 N613D469-G611 PolarHBondContact OD1-N 2.67Å; S607-G611 VanDerWaalsContact OG-CA 3.25Å; S607-G611 WeakPolarHBondContact OG-CA 3.13Å; M608-G611 PolarHBondContact O-N 2.82Å; G611-N613 PolarHBondContact O-N 3.43Å
612S67.2Low68.7Low18 Ų1858.3 Ų58.313%0.12632%0.318CS..BIsolated β-bridgetrans-75.2121.9-177.1-54.70000109.8M608 Y668M608-S612 PolarHBondContact N-O 2.92Å; M608-S612 VanDerWaalsContact N-O 3.14Å; M608-S612 WeakPolarHBondContact O-CA 3.25Å; M608-S612 VanDerWaalsContact O-CB 3.28Å; M608-S612 WeakPolarHBondContact O-CB 3.17Å; M608-S612 PolarHBondContact O-N 3.05Å; S612-Y668 WeakPolarHBondContact OG-CD1 3.48Å
613N74.2Confident66.4Low64 Ų6465 Ų6534%0.34235%0.352SS..  trans-88.2113.8167.5178.2-18.6000108.1G611 W615 G616G611-N613 PolarHBondContact O-N 3.43Å; N613-W615 PolarHBondContact O-N 3.14Å; N613-W615 PolarHBondContact OD1-N 3.46Å; N613-W615 VanDerWaalsContact OD1-N 3.15Å; N613-G616 PolarHBondContact ND2-O 3.21Å; N613-G616 PolarHBondContact OD1-N 2.84Å; N613-G616 PolarHBondContact OD1-O 3Å
614L75.4Confident63.6Low8 Ų874.4 Ų74.44%0.04239%0.393CS..THydrogen-bonded Turntrans-69.2-14.8-168.9-58.4174.9000114.4L603 M608 V656 I667 S673 A674L603-L614 HydrophobicContact CD1-CD1 3.31Å; M608-L614 HydrophobicContact CE-CD1 3.45Å; M608-L614 VanDerWaalsContact CE-CD1 3.45Å; M608-L614 HydrophobicContact CE-CD2 4.19Å; M608-L614 HydrophobicContact CE-CG 4.36Å; L614-V656 HydrophobicContact CD1-CG1 4.34Å; L614-I667 HydrophobicContact CB-CG2 4.36Å; L614-I667 HydrophobicContact CD2-CG2 3.51Å; L614-S673 CarbonylContact O-C 3.58Å; L614-S673 VanDerWaalsContact O-CA 3.24Å; L614-S673 WeakPolarHBondContact O-CA 3.19Å; L614-A674 HydrophobicContact CB-CB 3.83Å; L614-A674 HydrophobicContact CD1-CB 4.44Å; L614-A674 HydrophobicContact CG-CB 4.48Å; L614-A674 PolarHBondContact O-N 3.01Å
615W74.9Confident61Low50 Ų5077.7 Ų77.719%0.18943%0.427CS..THydrogen-bonded Turntrans-137.412.2179.748.376.5000113.9L603 N613 Q646 E654 V656 R676L603-W615 HydrophobicContact CD1-CH2 4.07Å; L603-W615 HydrophobicContact CD1-CZ3 4.14Å; N613-W615 PolarHBondContact O-N 3.14Å; N613-W615 PolarHBondContact OD1-N 3.46Å; N613-W615 VanDerWaalsContact OD1-N 3.15Å; W615-Q646 HydrophobicContact CZ2-CB 3.89Å; W615-Q646 HydrophobicContact CZ2-CG 4.48Å; W615-E654 HydrophobicContact CH2-CB 4.23Å; W615-E654 HydrophobicContact CH2-CG 3.98Å; W615-E654 HydrophobicContact CZ2-CG 4.45Å; W615-V656 HydrophobicContact CZ3-CG2 4Å; W615-R676 HydrophobicContact CD2-CG 4.49Å; W615-R676 HydrophobicContact CE3-CG 3.83Å; W615-R676 HydrophobicContact CZ3-CG 4.02Å
616G65.4Low58.7Low33 Ų3386 Ų8634%0.3447%0.466SS..  trans76.9-176.5175.200000115N613 T618N613-G616 PolarHBondContact ND2-O 3.21Å; N613-G616 PolarHBondContact OD1-N 2.84Å; N613-G616 PolarHBondContact OD1-O 3Å; G616-T618 PolarHBondContact O-N 3.1Å
617E58Low56.7Low186 Ų18688.9 Ų88.987%0.86949%0.493SS*.  trans-68121.7175.2-69-166166.200110K619E617-K619 PolarHBondContact O-N 3.42Å
618T54.2Low55Low78 Ų7894 Ų9448%0.47953%0.529SS..  trans-60.4113.3170.40.40000107.3G616 K620G616-T618 PolarHBondContact O-N 3.1Å; T618-K620 PolarHBondContact O-N 2.91Å; T618-K620 VanDerWaalsContact O-N 3.12Å
619K45.4Very low53.7Low198 Ų198102.4 Ų102.486%0.86157%0.568SS**  trans-55.5124.6171.1-71.5-176.3179.91780106.6E617 A621E617-K619 PolarHBondContact O-N 3.42Å; K619-A621 PolarHBondContact O-N 2.89Å
620K42.2Very low53.2Low212 Ų212109.9 Ų109.992%0.92260%0.603SS**  trans-60.482167.2-76.7-176.8176.81790107.9T618T618-K620 PolarHBondContact O-N 2.91Å; T618-K620 VanDerWaalsContact O-N 3.12Å
621A41.2Very low53.3Low74 Ų74114.2 Ų114.261%0.61262%0.619SS**  trans-63.1146.6156.600000106.7K619 I623K619-A621 PolarHBondContact O-N 2.89Å; A621-I623 PolarHBondContact O-N 2.81Å
622D39.1Very low53.9Low154 Ų154116.5 Ų116.582%0.82463%0.63SS**  trans-6184.1176.7-79.6-52.5000110.7K624D622-K624 PolarHBondContact O-N 3.3Å
623I48.4Very low54.7Low140 Ų140122 Ų12272%0.71865%0.653SS**  trans-76.355168.1-48.9173.2000108.1A621A621-I623 PolarHBondContact O-N 2.81Å
624K36.1Very low55.5Low200 Ų200119.7 Ų119.787%0.8764%0.642SS**SBendtrans-104.39.1169.7-86.5-171175.2-179.30112.5D622D622-K624 PolarHBondContact O-N 3.3Å
625G39.4Very low56.3Low68 Ų68120 Ų12070%0.70164%0.643SS**SBendtrans-128.1-8-170.500000118.4
626Q41.6Very low57.1Low177 Ų177120.8 Ų120.883%0.82765%0.653SS**  trans-139.368.2-175.5-74.9-177.3-28.100111.4
627A39.3Very low58.3Low104 Ų104122.8 Ų122.886%0.8666%0.656SS**  trans-118.367.8169.900000108.8
628S42.1Very low59.6Low115 Ų115117.7 Ų117.780%0.80464%0.639SS**  trans-176.144.7168.662.70000113.4
629Q49.4Very low61.1Low178 Ų178119 Ų11983%0.83264%0.643SS**SBendtrans-129.2130.2159.9-78.6-170.5-18.600107.9E631Q629-E631 PolarHBondContact O-N 3.38Å
630E55.4Low63.2Low201 Ų201113.5 Ų113.594%0.93962%0.622SS**  trans-57.9110.5169.9-74.2176.3159.300107.7S632E630-S632 PolarHBondContact O-N 2.99Å
631E66.4Low65.3Low110 Ų110103.5 Ų103.551%0.51458%0.579SS.*  trans-61.6122.9175.7-72-170.316100108.7Q629 E633 R652Q629-E631 PolarHBondContact O-N 3.38Å; E631-E633 PolarHBondContact O-N 3.4Å; E631-R652 PolarHBondContact O-NH2 2.76Å
632S77.6Confident67.3Low79 Ų79107 Ų10755%0.55258%0.58SS**  trans-42.6136174175.80000111E630 V634 R652E630-S632 PolarHBondContact O-N 2.99Å; S632-V634 WeakPolarHBondContact CB-O 3.36Å; S632-V634 PolarHBondContact O-N 3.3Å; S632-V634 PolarHBondContact OG-O 2.97Å; S632-R652 PolarHBondContact O-NH1 3.07Å; S632-R652 PolarHBondContact O-NH2 2.88Å; S632-R652 VanDerWaalsContact O-NH2 3.11Å
633E82.2Confident69.3Low132 Ų132105 Ų10562%0.61757%0.574SS**SBendtrans-53.2-28.3-179-71.8-172.7158.800113E631 R652E631-E633 PolarHBondContact O-N 3.4Å; E633-R652 PolarHBondContact O-NH1 3.28Å
634V91.6Very high71Confident17 Ų1799 Ų9910%0.10354%0.544CS..EExtended strand (participates in β ladder)trans-127.1133.7176.7-176.40000109.9C585 C586 S632 V636 K679C585-V634 HydrophobicContact CB-CG1 3.79Å; C585-V634 HydrophobicContact CB-CG2 4.27Å; C585-V634 WeakPolarHBondContact O-CG2 3.47Å; C586-V634 HydrophobicContact CB-CG2 3.36Å; C586-V634 VanDerWaalsContact SG-CG2 3.56Å; S632-V634 WeakPolarHBondContact CB-O 3.36Å; S632-V634 PolarHBondContact O-N 3.3Å; S632-V634 PolarHBondContact OG-O 2.97Å; V634-V636 HydrophobicContact CG1-CG1 3.85Å; V634-K679 WeakPolarHBondContact CA-O 3.16Å
635I92.7Very high73.2Confident15 Ų1592.5 Ų92.58%0.07752%0.523CS..EExtended strand (participates in β ladder)trans-121.5114.4172.1-52.9175.2000107.8I640 L641 A678 K679I635-I640 HydrophobicContact CD1-CG2 4.49Å; I635-I640 HydrophobicContact CG2-CB 3.93Å; I635-I640 HydrophobicContact CG2-CG2 3.65Å; I635-L641 HydrophobicContact CB-CD2 4.24Å; I635-L641 HydrophobicContact CG2-CD2 3.92Å; I635-L641 HydrophobicContact CG2-CG 4.06Å; I635-A678 CarbonylContact O-C 3.5Å; I635-A678 WeakPolarHBondContact O-CA 3Å; I635-K679 HydrophobicContact CB-CB 4.29Å; I635-K679 HydrophobicContact CD1-CD 4.48Å; I635-K679 PolarHBondContact N-O 3.1Å; I635-K679 PolarHBondContact O-N 3.32Å
636V91.8Very high75.5Confident65 Ų6590.5 Ų90.539%0.39450%0.495SS..  trans-116-9.1175.2-65.20000113.1L590 V634 P638 A678L590-V636 HydrophobicContact CD2-CB 4.44Å; L590-V636 HydrophobicContact CD2-CG1 3.38Å; V634-V636 HydrophobicContact CG1-CG1 3.85Å; V636-P638 VanDerWaalsContact O-CD 3.27Å; V636-P638 WeakPolarHBondContact O-CD 3.41Å; V636-A678 HydrophobicContact CG1-CB 4.14Å
637N89.4Confident77.6Confident75 Ų7585.4 Ų85.440%0.40147%0.474SS..  trans-69.5118.8-178.8-176-45.5000109.9D639 I640 L641N637-D639 VanDerWaalsContact C-N 3.26Å; N637-D639 PolarHBondContact O-N 3.13Å; N637-D639 PolarHBondContact OD1-N 3Å; N637-I640 HydrophobicContact CB-CB 4.27Å; N637-I640 HydrophobicContact CB-CD1 3.91Å; N637-I640 HydrophobicContact CB-CG1 3.97Å; N637-I640 PolarHBondContact O-N 2.7Å; N637-L641 WeakPolarHBondContact O-CG 3.34Å; N637-L641 PolarHBondContact O-N 2.99Å
638P86.6Confident80.1Confident79 Ų7981.2 Ų81.251%0.51344%0.437SS..Hα-helixtrans-59.2-31.8-176.1-26.135.4000114.5V636 K642V636-P638 VanDerWaalsContact O-CD 3.27Å; V636-P638 WeakPolarHBondContact O-CD 3.41Å; P638-K642 VanDerWaalsContact O-CG 3.3Å; P638-K642 WeakPolarHBondContact O-CG 3.49Å; P638-K642 PolarHBondContact O-N 3.46Å; P638-K642 VanDerWaalsContact O-N 3.14Å
639D86Confident82.5Confident106 Ų10677.8 Ų77.857%0.56741%0.413SS*.Hα-helixtrans-76.7-31.9-178.2-65.8-35.4000112.2N637 K642N637-D639 VanDerWaalsContact C-N 3.26Å; N637-D639 PolarHBondContact O-N 3.13Å; N637-D639 PolarHBondContact OD1-N 3Å; D639-K642 IonicContact OD1-NZ 3.77Å; D639-K642 PolarHBondContact OD1-NZ 3.25Å
640I87.9Confident84.6Confident82 Ų8271.3 Ų71.342%0.42138%0.384SS..Hα-helixtrans-71.1-46.4171.2-56.2-179.4000109.3I635 N637 K642 V643 T644I635-I640 HydrophobicContact CD1-CG2 4.49Å; I635-I640 HydrophobicContact CG2-CB 3.93Å; I635-I640 HydrophobicContact CG2-CG2 3.65Å; N637-I640 HydrophobicContact CB-CB 4.27Å; N637-I640 HydrophobicContact CB-CD1 3.91Å; N637-I640 HydrophobicContact CB-CG1 3.97Å; N637-I640 PolarHBondContact O-N 2.7Å; I640-K642 PolarHBondContact O-N 2.9Å; I640-K642 VanDerWaalsContact O-N 3.13Å; I640-V643 VanDerWaalsContact O-CG2 3.23Å; I640-V643 WeakPolarHBondContact O-CG2 3.13Å; I640-V643 PolarHBondContact O-N 3.32Å; I640-T644 PolarHBondContact O-N 3.11Å; I640-T644 VanDerWaalsContact O-N 3.09Å; I640-T644 PolarHBondContact O-OG1 2.98Å
641L87.4Confident86.5Confident2 Ų268.3 Ų68.31%0.0136%0.364CS..Hα-helixtrans-58.7-27.7178.8-71.5172.3000113.5I635 N637 V643 R676 K679I635-L641 HydrophobicContact CB-CD2 4.24Å; I635-L641 HydrophobicContact CG2-CD2 3.92Å; I635-L641 HydrophobicContact CG2-CG 4.06Å; N637-L641 WeakPolarHBondContact O-CG 3.34Å; N637-L641 PolarHBondContact O-N 2.99Å; L641-V643 VanDerWaalsContact C-N 3.32Å; L641-V643 PolarHBondContact O-N 3.08Å; L641-R676 HydrophobicContact CB-CB 4.21Å; L641-R676 HydrophobicContact CD1-CB 4.29Å; L641-R676 PolarHBondContact O-NH1 2.89Å; L641-K679 HydrophobicContact CD2-CB 3.89Å
642K82.5Confident87.8Confident148 Ų14864.5 Ų64.564%0.64335%0.345SS*.Hα-helixtrans-68.1-28.7175.9-76.5166.7-164.3159.90113.7P638 D639 I640P638-K642 VanDerWaalsContact O-CG 3.3Å; P638-K642 WeakPolarHBondContact O-CG 3.49Å; P638-K642 PolarHBondContact O-N 3.46Å; P638-K642 VanDerWaalsContact O-N 3.14Å; D639-K642 IonicContact OD1-NZ 3.77Å; D639-K642 PolarHBondContact OD1-NZ 3.25Å; I640-K642 PolarHBondContact O-N 2.9Å; I640-K642 VanDerWaalsContact O-N 3.13Å
643V81.6Confident88.7Confident113 Ų11360.8 Ų60.869%0.68532%0.319SS*.Hα-helixtrans-105.4-17.6-174.1-62.60000113.3I640 L641 S645I640-V643 VanDerWaalsContact O-CG2 3.23Å; I640-V643 WeakPolarHBondContact O-CG2 3.13Å; I640-V643 PolarHBondContact O-N 3.32Å; L641-V643 VanDerWaalsContact C-N 3.32Å; L641-V643 PolarHBondContact O-N 3.08Å; V643-S645 PolarHBondContact O-N 2.81Å
644T83.8Confident89.3Confident14 Ų1454.5 Ų54.59%0.08629%0.289CS..PPolyproline II helixtrans-69.7126.2177.1-54.70000111.6I640 R676 K679I640-T644 PolarHBondContact O-N 3.11Å; I640-T644 VanDerWaalsContact O-N 3.09Å; I640-T644 PolarHBondContact O-OG1 2.98Å; T644-R676 PolarHBondContact O-NH1 3.32Å; T644-K679 HydrophobicContact CG2-CD 3.66Å
645S83.4Confident89.4Confident63 Ų6353.7 Ų53.744%0.44129%0.285SS..PPolyproline II helixtrans-72.5143.2170.553.40000111.4V643 K679V643-S645 PolarHBondContact O-N 2.81Å; S645-K679 PolarHBondContact O-NZ 3Å; S645-K679 VanDerWaalsContact O-NZ 3.15Å
646Q86Confident89.4Confident25 Ų2553 Ų5312%0.11728%0.281CS..PPolyproline II helixtrans-81.2136.1165.3176172.532.600109.1I605 P606 W615 E654I605-Q646 VanDerWaalsContact C-NE2 3.3Å; I605-Q646 PolarHBondContact O-NE2 2.9Å; P606-Q646 HydrophobicContact CB-CG 4.46Å; P606-Q646 VanDerWaalsContact CB-OE1 3.22Å; W615-Q646 HydrophobicContact CZ2-CB 3.89Å; W615-Q646 HydrophobicContact CZ2-CG 4.48Å; Q646-E654 WeakPolarHBondContact CB-OE1 3.07Å; Q646-E654 VanDerWaalsContact CG-CD 3.44Å; Q646-E654 HydrophobicContact CG-CG 4.45Å; Q646-E654 WeakPolarHBondContact CG-OE1 3.46Å; Q646-E654 VanDerWaalsContact CG-OE2 3.29Å; Q646-E654 WeakPolarHBondContact CG-OE2 3.48Å; Q646-E654 PolarHBondContact NE2-OE2 3.08Å
647D87.3Confident89.4Confident70 Ų7049.9 Ų49.937%0.37426%0.262SS..  trans-133133.4177.2-171.6-32.8000107.3S649 D650D647-S649 PolarHBondContact O-N 3.02Å; D647-S649 WeakPolarHBondContact OD1-CB 3.14Å; D647-S649 PolarHBondContact OD1-N 3Å; D647-S649 PolarHBondContact OD1-OG 3.22Å; D647-D650 HydrophobicContact CB-CB 3.97Å
648L90.5Very high89.3Confident17 Ų1746.4 Ų46.49%0.08924%0.244CC..THydrogen-bonded Turntrans-79.12.8-178.460116.3000113.2V498 L499 M500 D501 I605V498-L648 HydrophobicContact CG2-CD1 4.26Å; L499-L648 WeakPolarHBondContact O-CD1 3.46Å; M500-L648 CarbonylContact C-O 3.53Å; M500-L648 VanDerWaalsContact CA-O 3.3Å; M500-L648 WeakPolarHBondContact CA-O 3.45Å; M500-L648 HydrophobicContact CB-CD1 3.7Å; M500-L648 HydrophobicContact CG-CD1 3.91Å; D501-L648 PolarHBondContact N-O 2.88Å; I605-L648 HydrophobicContact CG2-CB 4.46Å
649S93.3Very high89.2Confident42 Ų4246.1 Ų46.129%0.29424%0.236SC..THydrogen-bonded Turntrans-128.53.2-174.2710000115L499 D501 D647 R651 Q714L499-S649 VanDerWaalsContact O-CB 3.29Å; L499-S649 WeakPolarHBondContact O-CB 3.07Å; D501-S649 WeakPolarHBondContact OD2-CA 3.43Å; D647-S649 PolarHBondContact O-N 3.02Å; D647-S649 WeakPolarHBondContact OD1-CB 3.14Å; D647-S649 PolarHBondContact OD1-N 3Å; D647-S649 PolarHBondContact OD1-OG 3.22Å; S649-R651 VanDerWaalsContact C-N 3.29Å; S649-R651 PolarHBondContact O-N 2.92Å; S649-Q714 PolarHBondContact O-NE2 3.39Å; S649-Q714 VanDerWaalsContact O-NE2 3.15Å
650D93.4Very high88.6Confident43 Ų4341.4 Ų41.423%0.2321%0.212CC..SBendtrans-86.75.2-173.271.30.8000114.4D501 D647 R652 K679D501-D650 PolarHBondContact OD2-N 2.89Å; D501-D650 VanDerWaalsContact OD2-N 3.14Å; D647-D650 HydrophobicContact CB-CB 3.97Å; D650-R652 PolarHBondContact O-N 3.46Å; D650-R652 WeakPolarHBondContact OD1-CB 3.46Å; D650-R652 PolarHBondContact OD1-N 3.01Å; D650-K679 WeakPolarHBondContact OD2-CE 3.28Å; D650-K679 IonicContact OD2-NZ 3.32Å; D650-K679 PolarHBondContact OD2-NZ 3.28Å
651R95.2Very high87.8Confident138 Ų13837.9 Ų37.952%0.52120%0.195SC..SBendtrans57.336.5-175.9-54.9-179.2179.7-176.3-0112.6D501 W503 S649 S681D501-R651 VanDerWaalsContact OD2-CA 3.23Å; D501-R651 WeakPolarHBondContact OD2-CA 3.49Å; D501-R651 PolarHBondContact OD2-N 2.9Å; W503-R651 VanDerWaalsContact CH2-C 3.49Å; W503-R651 VanDerWaalsContact CH2-O 3.29Å; W503-R651 WeakPolarHBondContact CH2-O 3.44Å; S649-R651 VanDerWaalsContact C-N 3.29Å; S649-R651 PolarHBondContact O-N 2.92Å; R651-S681 WeakPolarHBondContact O-CB 3.37Å
652R94.4Very high87.1Confident30 Ų3044 Ų4411%0.11323%0.225CC..  trans-132.2159.2174.1-60.7172.4177.9-122.76.5111.1E631 S632 E633 D650 K679 T680E631-R652 PolarHBondContact O-NH2 2.76Å; S632-R652 PolarHBondContact O-NH1 3.07Å; S632-R652 PolarHBondContact O-NH2 2.88Å; S632-R652 VanDerWaalsContact O-NH2 3.11Å; E633-R652 PolarHBondContact O-NH1 3.28Å; D650-R652 PolarHBondContact O-N 3.46Å; D650-R652 WeakPolarHBondContact OD1-CB 3.46Å; D650-R652 PolarHBondContact OD1-N 3.01Å; R652-K679 HydrophobicContact CB-CG 4.05Å; R652-T680 CarbonylContact C-O 3.48Å; R652-T680 WeakPolarHBondContact CA-O 3.04Å
653L94.9Very high86.7Confident0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-120.5146175.9-71.8164.8000109.6W503 V602 L603 N604 K679 T680 I683 I709W503-L653 HydrophobicContact CD2-CD1 3.44Å; W503-L653 VanDerWaalsContact CD2-CD1 3.44Å; W503-L653 HydrophobicContact CD2-CD2 3.94Å; W503-L653 HydrophobicContact CD2-CG 3.66Å; W503-L653 VanDerWaalsContact CE2-CG 3.45Å; W503-L653 HydrophobicContact CE3-CD1 3.4Å; W503-L653 VanDerWaalsContact CE3-CD1 3.4Å; W503-L653 HydrophobicContact CE3-CG 3.96Å; W503-L653 HydrophobicContact CG-CD1 3.93Å; W503-L653 HydrophobicContact CG-CD2 4.01Å; W503-L653 HydrophobicContact CG-CG 4.21Å; W503-L653 HydrophobicContact CH2-CD1 4.14Å; W503-L653 HydrophobicContact CH2-CG 3.92Å; W503-L653 HydrophobicContact CZ2-CD1 4.18Å; W503-L653 HydrophobicContact CZ2-CD2 4.2Å; W503-L653 HydrophobicContact CZ2-CG 3.62Å; W503-L653 HydrophobicContact CZ3-CD1 3.77Å; W503-L653 HydrophobicContact CZ3-CG 4.08Å; V602-L653 HydrophobicContact CG1-CB 4.01Å; V602-L653 HydrophobicContact CG1-CD1 3.65Å; V602-L653 HydrophobicContact CG1-CD2 4.09Å; V602-L653 HydrophobicContact CG1-CG 4.13Å; L603-L653 WeakPolarHBondContact O-CA 2.99Å; L603-L653 VanDerWaalsContact O-CD2 3.25Å; L603-L653 WeakPolarHBondContact O-CD2 3.4Å; N604-L653 HydrophobicContact CB-CD2 3.89Å; L653-K679 WeakPolarHBondContact O-CA 3.41Å; L653-T680 PolarHBondContact N-O 2.63Å; L653-T680 PolarHBondContact O-N 3.48Å; L653-I683 HydrophobicContact CB-CD1 4.18Å; L653-I683 HydrophobicContact CD1-CD1 3.92Å; L653-I709 HydrophobicContact CD1-CG2 3.63Å
654E94.8Very high86.3Confident0 Ų032.1 Ų32.10%016%0.164CC..EExtended strand (participates in β ladder)trans-90.6124.4168.2-73.171.4-164.100110.4V602 L603 W615 Q646 V656 R676 A678V602-E654 CarbonylContact C-O 3.59Å; V602-E654 WeakPolarHBondContact CA-O 3.48Å; L603-E654 HydrophobicContact CB-CB 4.21Å; L603-E654 PolarHBondContact N-O 3.39Å; L603-E654 PolarHBondContact O-N 3.45Å; W615-E654 HydrophobicContact CH2-CB 4.23Å; W615-E654 HydrophobicContact CH2-CG 3.98Å; W615-E654 HydrophobicContact CZ2-CG 4.45Å; Q646-E654 WeakPolarHBondContact CB-OE1 3.07Å; Q646-E654 VanDerWaalsContact CG-CD 3.44Å; Q646-E654 HydrophobicContact CG-CG 4.45Å; Q646-E654 WeakPolarHBondContact CG-OE1 3.46Å; Q646-E654 VanDerWaalsContact CG-OE2 3.29Å; Q646-E654 WeakPolarHBondContact CG-OE2 3.48Å; Q646-E654 PolarHBondContact NE2-OE2 3.08Å; E654-V656 HydrophobicContact CB-CG2 4.31Å; E654-R676 VanDerWaalsContact CG-NH2 3.33Å; E654-R676 IonicContact OE1-NH2 2.57Å; E654-A678 WeakPolarHBondContact CA-O 3.48Å
655V95.1Very high85.4Confident0 Ų032.9 Ų32.90%018%0.175CC..EExtended strand (participates in β ladder)trans-95123.4169.5-171.80000108.2I583 L590 I600 L677 A678 T680 I683I583-V655 HydrophobicContact CD1-CG1 4.46Å; L590-V655 HydrophobicContact CD1-CG1 4.17Å; I600-V655 HydrophobicContact CG2-CG1 4.21Å; V655-L677 HydrophobicContact CB-CB 4.41Å; V655-L677 HydrophobicContact CG1-CB 4.26Å; V655-L677 HydrophobicContact CG1-CD1 4.27Å; V655-L677 WeakPolarHBondContact O-CA 3.41Å; V655-L677 WeakPolarHBondContact O-CB 3.28Å; V655-L677 PolarHBondContact O-N 3.39Å; V655-A678 HydrophobicContact CB-CB 4.05Å; V655-A678 HydrophobicContact CG2-CB 4.11Å; V655-A678 PolarHBondContact N-O 3.05Å; V655-A678 PolarHBondContact O-N 2.94Å; V655-T680 HydrophobicContact CG2-CG2 4.13Å; V655-I683 HydrophobicContact CG2-CD1 3.68Å; V655-I683 HydrophobicContact CG2-CG1 4.23Å
656V92.4Very high84.8Confident0 Ų033.5 Ų33.50%017%0.171CC..EExtended strand (participates in β ladder)trans-126.7133-172.5-177.20000109.8I600 A601 L603 L614 W615 E654 L658 A674 V675I600-V656 CarbonylContact C-O 3.47Å; I600-V656 WeakPolarHBondContact CA-O 3.49Å; A601-V656 HydrophobicContact CB-CB 4.49Å; A601-V656 PolarHBondContact N-O 3.37Å; A601-V656 PolarHBondContact O-N 2.61Å; L603-V656 HydrophobicContact CD1-CG2 3.66Å; L603-V656 HydrophobicContact CG-CG2 4.12Å; L614-V656 HydrophobicContact CD1-CG1 4.34Å; W615-V656 HydrophobicContact CZ3-CG2 4Å; E654-V656 HydrophobicContact CB-CG2 4.31Å; V656-L658 HydrophobicContact CG1-CD2 4.49Å; V656-A674 HydrophobicContact CG1-CB 3.54Å; V656-V675 CarbonylContact C-O 3.52Å; V656-V675 WeakPolarHBondContact CA-O 3.17Å; V656-V675 WeakPolarHBondContact CG1-O 3.15Å
657G91.2Very high84.2Confident0 Ų032.6 Ų32.60%017%0.167CC..EExtended strand (participates in β ladder)trans-91138.9172.200000111.6V675G657-V675 PolarHBondContact N-O 3.13Å
658L87.6Confident83.3Confident2 Ų233.5 Ų33.51%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-116.1120.5173.7-52173.2000108.9V532 D533 L597 E598 G599 A601 V656 M664V532-L658 HydrophobicContact CG1-CB 4.48Å; D533-L658 HydrophobicContact CB-CD1 4.07Å; L597-L658 CarbonylContact C-O 3.55Å; L597-L658 WeakPolarHBondContact CA-O 3.37Å; E598-L658 PolarHBondContact N-O 3.03Å; G599-L658 PolarHBondContact N-O 3.24Å; G599-L658 PolarHBondContact O-N 3.44Å; A601-L658 HydrophobicContact CB-CD1 4.45Å; V656-L658 HydrophobicContact CG1-CD2 4.49Å; L658-M664 HydrophobicContact CD1-CE 3.93Å; L658-M664 HydrophobicContact CD1-SD 4.04Å; L658-M664 HydrophobicContact CD2-CG 4.36Å
659E84.1Confident82.2Confident74 Ų7437.1 Ų37.135%0.34619%0.189SC..  trans-78.9-21.7-178.7-58.6173.7175.300112.6S596 L597 E598 E663 K672S596-E659 WeakPolarHBondContact O-CA 3.12Å; L597-E659 HydrophobicContact CD2-CG 4.4Å; E598-E659 VanDerWaalsContact CG-O 3.32Å; E598-E659 WeakPolarHBondContact CG-O 3.4Å; E659-E663 WeakPolarHBondContact CA-OE2 3.41Å; E659-E663 HydrophobicContact CB-CB 4.46Å; E659-E663 WeakPolarHBondContact CB-OE2 3.01Å; E659-E663 WeakPolarHBondContact CG-OE2 3.43Å; E659-E663 PolarHBondContact N-OE2 3.44Å; E659-K672 VanDerWaalsContact CD-NZ 3.28Å; E659-K672 IonicContact OE1-NZ 3.29Å; E659-K672 PolarHBondContact OE1-NZ 3.38Å; E659-K672 IonicContact OE2-NZ 3.79Å; E659-K672 PolarHBondContact OE2-NZ 2.89Å
660G75.1Confident81.1Confident7 Ų738.2 Ų38.27%0.07221%0.207CC..  trans161.4174.117500000114.1E598 M662 E663 M664E598-G660 WeakPolarHBondContact OE2-CA 3.02Å; G660-M662 VanDerWaalsContact C-N 3.32Å; G660-M662 PolarHBondContact O-N 2.78Å; G660-E663 WeakPolarHBondContact O-CB 3.31Å; G660-E663 PolarHBondContact O-N 3.02Å; G660-E663 VanDerWaalsContact O-N 3.16Å; G660-M664 WeakPolarHBondContact O-CG 3.3Å; G660-M664 PolarHBondContact O-N 2.9Å
661A70.8Confident80Confident7 Ų742.8 Ų42.86%0.05823%0.23CC..Hα-helixtrans-63.7-31.9-175.400000114V532 I536 A565 T569 M664 G665V532-A661 HydrophobicContact CG2-CB 3.92Å; I536-A661 HydrophobicContact CD1-CB 4.38Å; A565-A661 WeakPolarHBondContact O-CB 3.27Å; T569-A661 WeakPolarHBondContact OG1-CB 3.33Å; A661-M664 PolarHBondContact O-N 3.09Å; A661-G665 PolarHBondContact O-N 3.29Å; A661-G665 VanDerWaalsContact O-N 3.1Å
662M71.1Confident79.2Confident131 Ų13139.6 Ų39.665%0.64522%0.22SC*.Hα-helixtrans-65.7-41.6174.6-172.8177.570.400111.9T569 G660 G665 Q666T569-M662 HydrophobicContact CG2-CB 4.15Å; G660-M662 VanDerWaalsContact C-N 3.32Å; G660-M662 PolarHBondContact O-N 2.78Å; M662-G665 PolarHBondContact O-N 2.9Å; M662-Q666 PolarHBondContact O-N 2.97Å; M662-Q666 VanDerWaalsContact O-N 3.15Å
663E75.6Confident78.5Confident7 Ų741.4 Ų41.43%0.03324%0.238CC..Hα-helixtrans-64.9-43.6175.8-167.1-155.1-16900110.9E659 G660 G665 Q666 I667 K672E659-E663 WeakPolarHBondContact CA-OE2 3.41Å; E659-E663 HydrophobicContact CB-CB 4.46Å; E659-E663 WeakPolarHBondContact CB-OE2 3.01Å; E659-E663 WeakPolarHBondContact CG-OE2 3.43Å; E659-E663 PolarHBondContact N-OE2 3.44Å; G660-E663 WeakPolarHBondContact O-CB 3.31Å; G660-E663 PolarHBondContact O-N 3.02Å; G660-E663 VanDerWaalsContact O-N 3.16Å; E663-G665 PolarHBondContact O-N 2.77Å; E663-Q666 CarbonylContact O-C 3.58Å; E663-Q666 WeakPolarHBondContact O-CA 3.49Å; E663-Q666 WeakPolarHBondContact O-CB 3.25Å; E663-Q666 PolarHBondContact O-N 3.33Å; E663-I667 HydrophobicContact CG-CD1 4.06Å; E663-I667 WeakPolarHBondContact O-CG1 3.4Å; E663-I667 PolarHBondContact O-N 3.4Å; E663-K672 VanDerWaalsContact CD-NZ 3.29Å; E663-K672 HydrophobicContact CG-CD 3.55Å; E663-K672 VanDerWaalsContact OE1-CE 3.3Å; E663-K672 WeakPolarHBondContact OE1-CE 3.43Å; E663-K672 IonicContact OE1-NZ 3.78Å; E663-K672 PolarHBondContact OE1-NZ 3.49Å
664M71.8Confident77.8Confident5 Ų541.9 Ų41.93%0.02524%0.242CC..Hα-helixtrans-54.5-42173.9-68-172.983.300111.2V532 D533 H609 L658 G660 A661 Q666 I667 Y668V532-M664 HydrophobicContact CG1-SD 4.04Å; D533-M664 HydrophobicContact CB-CE 3.93Å; D533-M664 HydrophobicContact CB-SD 4.33Å; H609-M664 WeakPolarHBondContact NE2-CE 3.26Å; L658-M664 HydrophobicContact CD1-CE 3.93Å; L658-M664 HydrophobicContact CD1-SD 4.04Å; L658-M664 HydrophobicContact CD2-CG 4.36Å; G660-M664 WeakPolarHBondContact O-CG 3.3Å; G660-M664 PolarHBondContact O-N 2.9Å; A661-M664 PolarHBondContact O-N 3.09Å; M664-Q666 VanDerWaalsContact C-N 3.34Å; M664-Q666 PolarHBondContact O-N 3.28Å; M664-I667 PolarHBondContact O-N 3.26Å; M664-Y668 HydrophobicContact CB-CE2 4.11Å; M664-Y668 WeakPolarHBondContact CE-OH 3.37Å; M664-Y668 WeakPolarHBondContact O-CD1 3.35Å; M664-Y668 VanDerWaalsContact O-CD2 3.22Å; M664-Y668 WeakPolarHBondContact O-CD2 3.13Å; M664-Y668 PolarHBondContact O-N 3.44Å
665G66.6Low77.4Confident30 Ų3044 Ų4431%0.30925%0.254SS..Hα-helixtrans-60.2-38.3172.900000114.1A661 M662 E663 Y668 T669A661-G665 PolarHBondContact O-N 3.29Å; A661-G665 VanDerWaalsContact O-N 3.1Å; M662-G665 PolarHBondContact O-N 2.9Å; E663-G665 PolarHBondContact O-N 2.77Å; G665-Y668 PolarHBondContact O-N 3.31Å; G665-T669 WeakPolarHBondContact O-CG2 3.46Å; G665-T669 PolarHBondContact O-N 3.46Å; G665-T669 VanDerWaalsContact O-N 3.16Å; G665-T669 PolarHBondContact O-OG1 2.94Å
666Q70.6Confident77.2Confident76 Ų7645.4 Ų45.436%0.35526%0.259SS..Hα-helixtrans-69.5-35.8174.4-66.7177-35.500112.1M662 E663 M664 T669 G670 L671 K672M662-Q666 PolarHBondContact O-N 2.97Å; M662-Q666 VanDerWaalsContact O-N 3.15Å; E663-Q666 CarbonylContact O-C 3.58Å; E663-Q666 WeakPolarHBondContact O-CA 3.49Å; E663-Q666 WeakPolarHBondContact O-CB 3.25Å; E663-Q666 PolarHBondContact O-N 3.33Å; M664-Q666 VanDerWaalsContact C-N 3.34Å; M664-Q666 PolarHBondContact O-N 3.28Å; Q666-T669 WeakPolarHBondContact CA-OG1 3.41Å; Q666-T669 PolarHBondContact O-N 3.36Å; Q666-T669 PolarHBondContact O-OG1 3.29Å; Q666-T669 VanDerWaalsContact O-OG1 3.09Å; Q666-G670 PolarHBondContact O-N 3.36Å; Q666-L671 HydrophobicContact CB-CB 4.26Å; Q666-L671 PolarHBondContact O-N 3.45Å; Q666-K672 HydrophobicContact CB-CB 3.88Å; Q666-K672 PolarHBondContact O-N 3.17Å
667I73.1Confident77.2Confident6 Ų646.4 Ų46.43%0.03127%0.265CS..Hα-helixtrans-66.7-42.9174.3-63.7159.9000110.3L614 E663 M664 T669 G670 K672 A674L614-I667 HydrophobicContact CB-CG2 4.36Å; L614-I667 HydrophobicContact CD2-CG2 3.51Å; E663-I667 HydrophobicContact CG-CD1 4.06Å; E663-I667 WeakPolarHBondContact O-CG1 3.4Å; E663-I667 PolarHBondContact O-N 3.4Å; M664-I667 PolarHBondContact O-N 3.26Å; I667-T669 VanDerWaalsContact C-N 3.26Å; I667-T669 PolarHBondContact O-N 2.86Å; I667-G670 PolarHBondContact O-N 3.49Å; I667-K672 WeakPolarHBondContact CA-O 3.26Å; I667-K672 HydrophobicContact CG1-CB 4.39Å; I667-A674 HydrophobicContact CD1-CB 3.81Å
668Y68.8Low77.4Confident88 Ų8846.4 Ų46.435%0.34527%0.265SS..Hα-helixtrans-62.2-32177-60.9-24.9000113.8H609 S612 M664 G665 G670H609-Y668 HydrophobicContact CB-CD1 4.33Å; H609-Y668 HydrophobicContact CB-CE1 3.45Å; H609-Y668 VanDerWaalsContact CB-CE1 3.45Å; H609-Y668 WeakPolarHBondContact CB-OH 3.42Å; H609-Y668 AromaticContact CD2-CE1 3.5Å; H609-Y668 VanDerWaalsContact CD2-CE1 3.5Å; H609-Y668 WeakPolarHBondContact CD2-CE1 3.33Å; H609-Y668 AromaticContact CD2-CZ 3.75Å; H609-Y668 PolarHBondContact CD2-OH 2.89Å; H609-Y668 AromaticContact CG-CE1 3.65Å; H609-Y668 AromaticContact CG-CZ 3.66Å; S612-Y668 WeakPolarHBondContact OG-CD1 3.48Å; M664-Y668 HydrophobicContact CB-CE2 4.11Å; M664-Y668 WeakPolarHBondContact CE-OH 3.37Å; M664-Y668 WeakPolarHBondContact O-CD1 3.35Å; M664-Y668 VanDerWaalsContact O-CD2 3.22Å; M664-Y668 WeakPolarHBondContact O-CD2 3.13Å; M664-Y668 PolarHBondContact O-N 3.44Å; G665-Y668 PolarHBondContact O-N 3.31Å; Y668-G670 VanDerWaalsContact C-N 3.32Å
669T66.4Low77.7Confident94 Ų9446.6 Ų46.658%0.57727%0.266SS*.THydrogen-bonded Turntrans-87.9-2.4177.150.30000112.9G665 Q666 I667 L671G665-T669 WeakPolarHBondContact O-CG2 3.46Å; G665-T669 PolarHBondContact O-N 3.46Å; G665-T669 VanDerWaalsContact O-N 3.16Å; G665-T669 PolarHBondContact O-OG1 2.94Å; Q666-T669 WeakPolarHBondContact CA-OG1 3.41Å; Q666-T669 PolarHBondContact O-N 3.36Å; Q666-T669 PolarHBondContact O-OG1 3.29Å; Q666-T669 VanDerWaalsContact O-OG1 3.09Å; I667-T669 VanDerWaalsContact C-N 3.26Å; I667-T669 PolarHBondContact O-N 2.86Å; T669-L671 PolarHBondContact O-N 3.03Å; T669-L671 WeakPolarHBondContact OG1-CD1 3.45Å; T669-L671 WeakPolarHBondContact OG1-CG 3.36Å
670G70.3Confident78.3Confident65 Ų6543 Ų4367%0.6725%0.249SC*.THydrogen-bonded Turntrans72.213.7-176.600000114.2Q666 I667 Y668Q666-G670 PolarHBondContact O-N 3.36Å; I667-G670 PolarHBondContact O-N 3.49Å; Y668-G670 VanDerWaalsContact C-N 3.32Å
671L70.3Confident79.2Confident139 Ų13944.4 Ų44.473%0.72826%0.258SS*.SBendtrans-81-20.3179.2-65.7176.4000113Q666 T669Q666-L671 HydrophobicContact CB-CB 4.26Å; Q666-L671 PolarHBondContact O-N 3.45Å; T669-L671 PolarHBondContact O-N 3.03Å; T669-L671 WeakPolarHBondContact OG1-CD1 3.45Å; T669-L671 WeakPolarHBondContact OG1-CG 3.36Å
672K78.8Confident80.5Confident70 Ų7048.1 Ų48.130%0.30427%0.274SS..SBendtrans-141156176-159.9-174.5178.6-162.70110.1E659 E663 Q666 I667E659-K672 VanDerWaalsContact CD-NZ 3.28Å; E659-K672 IonicContact OE1-NZ 3.29Å; E659-K672 PolarHBondContact OE1-NZ 3.38Å; E659-K672 IonicContact OE2-NZ 3.79Å; E659-K672 PolarHBondContact OE2-NZ 2.89Å; E663-K672 VanDerWaalsContact CD-NZ 3.29Å; E663-K672 HydrophobicContact CG-CD 3.55Å; E663-K672 VanDerWaalsContact OE1-CE 3.3Å; E663-K672 WeakPolarHBondContact OE1-CE 3.43Å; E663-K672 IonicContact OE1-NZ 3.78Å; E663-K672 PolarHBondContact OE1-NZ 3.49Å; Q666-K672 HydrophobicContact CB-CB 3.88Å; Q666-K672 PolarHBondContact O-N 3.17Å; I667-K672 WeakPolarHBondContact CA-O 3.26Å; I667-K672 HydrophobicContact CG1-CB 4.39Å
673S79.8Confident81.8Confident69 Ų6941.9 Ų41.948%0.48324%0.243SC..  trans-102.4146.2169.4-56.70000110.5L614L614-S673 CarbonylContact O-C 3.58Å; L614-S673 VanDerWaalsContact O-CA 3.24Å; L614-S673 WeakPolarHBondContact O-CA 3.19Å
674A80.4Confident82.8Confident10 Ų1042.3 Ų42.38%0.08325%0.246CC..  trans-69.7157.717600000111.9L614 V656 I667 R676L614-A674 HydrophobicContact CB-CB 3.83Å; L614-A674 HydrophobicContact CD1-CB 4.44Å; L614-A674 HydrophobicContact CG-CB 4.48Å; L614-A674 PolarHBondContact O-N 3.01Å; V656-A674 HydrophobicContact CG1-CB 3.54Å; I667-A674 HydrophobicContact CD1-CB 3.81Å; A674-R676 PolarHBondContact O-N 3.32Å
675V86.1Confident84.1Confident44 Ų4442.1 Ų42.127%0.26725%0.245SC..EExtended strand (participates in β ladder)trans-84106.4179.6-176.20000109.8V656 G657 L677V656-V675 CarbonylContact C-O 3.52Å; V656-V675 WeakPolarHBondContact CA-O 3.17Å; V656-V675 WeakPolarHBondContact CG1-O 3.15Å; G657-V675 PolarHBondContact N-O 3.13Å; V675-L677 HydrophobicContact CG1-CD2 3.96Å; V675-L677 PolarHBondContact O-N 3.23Å
676R90Very high85.5Confident29 Ų2946.6 Ų46.611%0.10925%0.253CS..EExtended strand (participates in β ladder)trans-74.6119.8171.9-64.3-176.575.4172.910.8109.7W615 L641 T644 E654 A674W615-R676 HydrophobicContact CD2-CG 4.49Å; W615-R676 HydrophobicContact CE3-CG 3.83Å; W615-R676 HydrophobicContact CZ3-CG 4.02Å; L641-R676 HydrophobicContact CB-CB 4.21Å; L641-R676 HydrophobicContact CD1-CB 4.29Å; L641-R676 PolarHBondContact O-NH1 2.89Å; T644-R676 PolarHBondContact O-NH1 3.32Å; E654-R676 VanDerWaalsContact CG-NH2 3.33Å; E654-R676 IonicContact OE1-NH2 2.57Å; A674-R676 PolarHBondContact O-N 3.32Å
677L93.1Very high86.6Confident22 Ų2243.2 Ų43.212%0.11524%0.237CC..EExtended strand (participates in β ladder)trans-96.7-40.5-178.4-59.9173.7000111.9L590 L592 L597 I600 V655 V675L590-L677 HydrophobicContact CD1-CB 4.25Å; L592-L677 HydrophobicContact CD2-CD1 3.99Å; L592-L677 HydrophobicContact CD2-CD2 4.45Å; L597-L677 HydrophobicContact CD1-CD1 4.06Å; I600-L677 HydrophobicContact CD1-CD1 3.74Å; V655-L677 HydrophobicContact CB-CB 4.41Å; V655-L677 HydrophobicContact CG1-CB 4.26Å; V655-L677 HydrophobicContact CG1-CD1 4.27Å; V655-L677 WeakPolarHBondContact O-CA 3.41Å; V655-L677 WeakPolarHBondContact O-CB 3.28Å; V655-L677 PolarHBondContact O-N 3.39Å; V675-L677 HydrophobicContact CG1-CD2 3.96Å; V675-L677 PolarHBondContact O-N 3.23Å
678A94.9Very high87.5Confident0 Ų049.8 Ų49.80%027%0.266CS..EExtended strand (participates in β ladder)trans-156.4160.4178.900000113.1L590 I635 V636 E654 V655L590-A678 HydrophobicContact CD1-CB 4.14Å; L590-A678 HydrophobicContact CD2-CB 4.03Å; I635-A678 CarbonylContact O-C 3.5Å; I635-A678 WeakPolarHBondContact O-CA 3Å; V636-A678 HydrophobicContact CG1-CB 4.14Å; E654-A678 WeakPolarHBondContact CA-O 3.48Å; V655-A678 HydrophobicContact CB-CB 4.05Å; V655-A678 HydrophobicContact CG2-CB 4.11Å; V655-A678 PolarHBondContact N-O 3.05Å; V655-A678 PolarHBondContact O-N 2.94Å
679K94.9Very high88.5Confident5 Ų549.2 Ų49.22%0.02227%0.265CS..EExtended strand (participates in β ladder)trans-123.4122.5159.5-172.2-177.9-173.6-174.20108V634 I635 L641 T644 S645 D650 R652 L653V634-K679 WeakPolarHBondContact CA-O 3.16Å; I635-K679 HydrophobicContact CB-CB 4.29Å; I635-K679 HydrophobicContact CD1-CD 4.48Å; I635-K679 PolarHBondContact N-O 3.1Å; I635-K679 PolarHBondContact O-N 3.32Å; L641-K679 HydrophobicContact CD2-CB 3.89Å; T644-K679 HydrophobicContact CG2-CD 3.66Å; S645-K679 PolarHBondContact O-NZ 3Å; S645-K679 VanDerWaalsContact O-NZ 3.15Å; D650-K679 WeakPolarHBondContact OD2-CE 3.28Å; D650-K679 IonicContact OD2-NZ 3.32Å; D650-K679 PolarHBondContact OD2-NZ 3.28Å; R652-K679 HydrophobicContact CB-CG 4.05Å; L653-K679 WeakPolarHBondContact O-CA 3.41Å
680T95.9Very high89.7Confident0 Ų047.8 Ų47.80%026%0.257CS..EExtended strand (participates in β ladder)trans-153158.1-166.1-1750000113.2C585 C586 R652 L653 V655 Q682 I683C585-T680 HydrophobicContact CB-CG2 4.04Å; C586-T680 PolarHBondContact SG-OG1 3.35Å; R652-T680 CarbonylContact C-O 3.48Å; R652-T680 WeakPolarHBondContact CA-O 3.04Å; L653-T680 PolarHBondContact N-O 2.63Å; L653-T680 PolarHBondContact O-N 3.48Å; V655-T680 HydrophobicContact CG2-CG2 4.13Å; T680-Q682 PolarHBondContact OG1-N 3.36Å; T680-Q682 PolarHBondContact OG1-O 3.05Å; T680-I683 HydrophobicContact CG2-CD1 3.98Å; T680-I683 HydrophobicContact CG2-CG1 3.44Å; T680-I683 VanDerWaalsContact CG2-CG1 3.44Å
681S94.9Very high90.7Very high36 Ų3644.9 Ų44.925%0.25223%0.227SC..SBendtrans-98.5-7.7176.256.90000114.5W503 C586 R651W503-S681 VanDerWaalsContact CZ3-O 3.27Å; W503-S681 WeakPolarHBondContact CZ3-O 3.43Å; C586-S681 PolarHBondContact SG-OG 3.34Å; R651-S681 WeakPolarHBondContact O-CB 3.37Å
682Q96.7Very high91.8Very high84 Ų8439 Ų3939%0.39320%0.196SC..EExtended strand (participates in β ladder)trans-150.5142.7175.4-179.3174-4.700110.2C585 C586 T680 T710C585-Q682 WeakPolarHBondContact CA-O 3.45Å; C586-Q682 PolarHBondContact N-O 2.93Å; C586-Q682 PolarHBondContact SG-N 2.89Å; C586-Q682 VanDerWaalsContact SG-N 3.42Å; T680-Q682 PolarHBondContact OG1-N 3.36Å; T680-Q682 PolarHBondContact OG1-O 3.05Å; Q682-T710 HydrophobicContact CG-CG2 4.04Å
683I98.3Very high92.6Very high1 Ų135.6 Ų35.61%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-133.5133.9178.6-52.4164.9000109.5I583 E584 V602 L653 V655 T680 I685 I709I583-I683 HydrophobicContact CG2-CG2 3.85Å; E584-I683 WeakPolarHBondContact O-CA 3.14Å; V602-I683 HydrophobicContact CB-CD1 4.36Å; V602-I683 HydrophobicContact CG1-CD1 3.44Å; V602-I683 VanDerWaalsContact CG1-CD1 3.44Å; V602-I683 HydrophobicContact CG2-CD1 3.94Å; L653-I683 HydrophobicContact CB-CD1 4.18Å; L653-I683 HydrophobicContact CD1-CD1 3.92Å; V655-I683 HydrophobicContact CG2-CD1 3.68Å; V655-I683 HydrophobicContact CG2-CG1 4.23Å; T680-I683 HydrophobicContact CG2-CD1 3.98Å; T680-I683 HydrophobicContact CG2-CG1 3.44Å; T680-I683 VanDerWaalsContact CG2-CG1 3.44Å; I683-I685 HydrophobicContact CG2-CD1 4.19Å; I683-I685 HydrophobicContact CG2-CG1 3.73Å; I683-I709 HydrophobicContact CB-CB 4.2Å; I683-I709 PolarHBondContact N-O 3.33Å; I683-I709 VanDerWaalsContact N-O 3.07Å; I683-I709 PolarHBondContact O-N 3.22Å
684T98.1Very high93.3Very high16 Ų1632.4 Ų32.410%0.09816%0.159CC..EExtended strand (participates in β ladder)trans-117.8122.9167.4-54.90000108.6I583 E584 T706 I707I583-T684 WeakPolarHBondContact CA-O 3.36Å; E584-T684 PolarHBondContact N-O 3.5Å; E584-T684 PolarHBondContact O-N 3.3Å; T684-T706 HydrophobicContact CG2-CG2 3.9Å; T684-I707 CarbonylContact C-O 3.59Å; T684-I707 WeakPolarHBondContact CA-O 3.47Å
685I97.6Very high93.9Very high1 Ų131.9 Ų31.91%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-116.3129.2177.2-51.6176.7000108.4F528 I530 L581 T582 I583 I683 T687 T706 I707F528-I685 HydrophobicContact CE1-CD1 3.92Å; I530-I685 HydrophobicContact CD1-CD1 3.92Å; I530-I685 HydrophobicContact CD1-CG2 3.91Å; L581-I685 HydrophobicContact CB-CG2 4.45Å; T582-I685 WeakPolarHBondContact O-CA 3.31Å; I583-I685 HydrophobicContact CG1-CG1 4.43Å; I583-I685 HydrophobicContact CG1-CG2 4.45Å; I583-I685 HydrophobicContact CG2-CG1 4.42Å; I683-I685 HydrophobicContact CG2-CD1 4.19Å; I683-I685 HydrophobicContact CG2-CG1 3.73Å; I685-T687 HydrophobicContact CG2-CG2 4.32Å; I685-T706 CarbonylContact O-C 3.57Å; I685-T706 WeakPolarHBondContact O-CA 3.46Å; I685-I707 HydrophobicContact CB-CB 4.29Å; I685-I707 PolarHBondContact N-O 3.06Å; I685-I707 PolarHBondContact O-N 2.96Å
686R96.3Very high94.2Very high124 Ų12430.8 Ų30.847%0.46815%0.148SC..EExtended strand (participates in β ladder)trans-116.4124.6174.7-56.3177.8-178.7-83.72.6109.1L581 T582 T706L581-R686 CarbonylContact C-O 3.51Å; L581-R686 WeakPolarHBondContact CA-O 3.3Å; L581-R686 WeakPolarHBondContact CB-O 3.22Å; T582-R686 PolarHBondContact N-O 3.02Å; T582-R686 PolarHBondContact O-N 2.84Å; R686-T706 HydrophobicContact CG-CG2 4.16Å; R686-T706 PolarHBondContact NH1-OG1 3.06Å
687T94.6Very high94.1Very high5 Ų530.5 Ų30.53%0.03115%0.153CC..EExtended strand (participates in β ladder)trans-106.7144-179.264.30000110.5L581 I685 L691 M693 P704 C705L581-T687 HydrophobicContact CB-CG2 4.27Å; I685-T687 HydrophobicContact CG2-CG2 4.32Å; T687-L691 HydrophobicContact CG2-CD1 3.89Å; T687-M693 HydrophobicContact CG2-CE 3.87Å; T687-P704 WeakPolarHBondContact OG1-CA 3.4Å; T687-C705 PolarHBondContact N-O 3.22Å; T687-C705 PolarHBondContact OG1-N 2.69Å; T687-C705 PolarHBondContact OG1-O 2.59Å
688K91.8Very high93.9Very high144 Ų14432 Ų3263%0.62616%0.16SC*.SBendtrans-104.6-11.3-177.6-60.3177.5-173.2165.30113.6E579 S580E579-K688 PolarHBondContact O-NZ 3.08Å; S580-K688 PolarHBondContact O-N 3.16Å
689K90.3Very high93.8Very high75 Ų7532.9 Ų32.933%0.32617%0.165SC..SBendtrans-145.3162.8-177.574.9-175.2-169.1-168.10109.8S580 L691S580-K689 WeakPolarHBondContact OG-CD 3.48Å; S580-K689 WeakPolarHBondContact OG-CE 3.34Å; S580-K689 PolarHBondContact OG-NZ 3.38Å; K689-L691 HydrophobicContact CG-CD2 4.19Å; K689-L691 HydrophobicContact CG-CG 4.19Å; K689-L691 PolarHBondContact O-N 2.95Å
690P90.3Very high93.6Very high65 Ų6532.9 Ų32.942%0.42217%0.165SC..  trans-58.6132.1172-22.933000111.7M701 Q702P690-M701 HydrophobicContact CB-CE 4.42Å; P690-Q702 CarbonylContact C-O 3.58Å; P690-Q702 WeakPolarHBondContact CA-O 3.3Å
691L92.6Very high93.4Very high4 Ų436.1 Ų36.12%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-136.4143.1-178-71.8171.6000111I530 L577 L581 T687 K689 M693 Q702I530-L691 HydrophobicContact CG2-CB 3.93Å; I530-L691 HydrophobicContact CG2-CD1 3.84Å; I530-L691 HydrophobicContact CG2-CG 4.41Å; L577-L691 HydrophobicContact CD1-CD1 3.91Å; L577-L691 HydrophobicContact CD1-CD2 3.77Å; L581-L691 HydrophobicContact CD2-CD1 4.26Å; T687-L691 HydrophobicContact CG2-CD1 3.89Å; K689-L691 HydrophobicContact CG-CD2 4.19Å; K689-L691 HydrophobicContact CG-CG 4.19Å; K689-L691 PolarHBondContact O-N 2.95Å; L691-M693 HydrophobicContact CB-CE 4.28Å; L691-Q702 PolarHBondContact N-O 3.12Å; L691-Q702 PolarHBondContact O-N 2.94Å
692P93.5Very high93.3Very high14 Ų1435 Ų359%0.09117%0.172CC..EExtended strand (participates in β ladder)trans-68.8136169.729.1-32.9000109.7I530 G531 A534 M701I530-P692 WeakPolarHBondContact CA-O 3.31Å; G531-P692 PolarHBondContact N-O 3.39Å; A534-P692 VanDerWaalsContact CB-C 3.47Å; A534-P692 HydrophobicContact CB-CB 4.04Å; A534-P692 WeakPolarHBondContact CB-O 3.14Å; P692-M701 HydrophobicContact CB-SD 3.74Å
693M95.4Very high93Very high0 Ų031.8 Ų31.80%016%0.159CC..EExtended strand (participates in β ladder)trans-133.3157.7177.8-58-170.9-175.700110.5F528 S529 I530 A534 T687 L691 P699 W700 Q702 I707F528-M693 HydrophobicContact CE2-CB 4.13Å; F528-M693 HydrophobicContact CE2-SD 4.24Å; F528-M693 HydrophobicContact CZ-CG 4.48Å; F528-M693 HydrophobicContact CZ-SD 3.99Å; S529-M693 CarbonylContact O-C 3.57Å; S529-M693 VanDerWaalsContact O-CA 3.31Å; S529-M693 WeakPolarHBondContact O-CA 3.33Å; I530-M693 HydrophobicContact CD1-CE 4.14Å; I530-M693 HydrophobicContact CD1-SD 4.49Å; I530-M693 HydrophobicContact CG1-CE 4.39Å; I530-M693 HydrophobicContact CG1-CG 4.08Å; I530-M693 HydrophobicContact CG1-SD 4.34Å; I530-M693 HydrophobicContact CG2-CE 4.39Å; I530-M693 HydrophobicContact CG2-CG 4.35Å; A534-M693 VanDerWaalsContact CB-CA 3.47Å; T687-M693 HydrophobicContact CG2-CE 3.87Å; L691-M693 HydrophobicContact CB-CE 4.28Å; M693-P699 CarbonylContact O-C 3.59Å; M693-P699 VanDerWaalsContact O-CA 3.23Å; M693-P699 WeakPolarHBondContact O-CA 3.34Å; M693-W700 HydrophobicContact CB-CD2 4.01Å; M693-W700 HydrophobicContact CB-CE3 4.09Å; M693-W700 HydrophobicContact CB-CH2 3.69Å; M693-W700 HydrophobicContact CB-CZ2 3.57Å; M693-W700 HydrophobicContact CB-CZ3 3.97Å; M693-W700 HydrophobicContact CG-CZ2 4.34Å; M693-W700 PolarHBondContact N-O 3.24Å; M693-W700 PolarHBondContact O-N 3.44Å; M693-W700 HydrophobicContact SD-CZ2 3.98Å; M693-Q702 HydrophobicContact CE-CB 3.59Å; M693-Q702 HydrophobicContact CE-CG 3.57Å; M693-Q702 HydrophobicContact CG-CB 3.91Å; M693-Q702 HydrophobicContact SD-CB 3.49Å; M693-Q702 WeakPolarHBondContact SD-CB 3.43Å; M693-Q702 HydrophobicContact SD-CG 3.58Å; M693-Q702 VanDerWaalsContact SD-CG 3.58Å; M693-I707 HydrophobicContact CE-CD1 3.66Å; M693-I707 HydrophobicContact SD-CD1 3.52Å; M693-I707 VanDerWaalsContact SD-CD1 3.52Å
694Q93.8Very high92.8Very high1 Ų133.4 Ų33.41%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-148.5151.7171.269.677.534.600111.5Y527 F528 S529 A534 A537 E698 P699Y527-Q694 VanDerWaalsContact CE2-NE2 3.29Å; F528-Q694 WeakPolarHBondContact CA-O 3.44Å; F528-Q694 WeakPolarHBondContact CD2-O 3.03Å; S529-Q694 PolarHBondContact N-O 2.83Å; S529-Q694 PolarHBondContact O-N 3.16Å; S529-Q694 WeakPolarHBondContact OG-CG 3.25Å; S529-Q694 PolarHBondContact OG-NE2 3.15Å; A534-Q694 HydrophobicContact CB-CB 4.15Å; A534-Q694 HydrophobicContact CB-CG 3.98Å; A537-Q694 HydrophobicContact CB-CB 4.44Å; A537-Q694 HydrophobicContact CB-CG 4.42Å; Q694-E698 VanDerWaalsContact CA-O 3.32Å; Q694-E698 WeakPolarHBondContact CA-O 3.3Å; Q694-P699 HydrophobicContact CB-CB 4.02Å
695I93.7Very high92.6Very high0 Ų032.7 Ų32.70%017%0.165CC..EExtended strand (participates in β ladder)trans-126.5125.1170.7-68.7167.7000107.6V505 Y521 I523 I524 F528 G697 E698 W700V505-I695 HydrophobicContact CB-CD1 4.31Å; V505-I695 HydrophobicContact CG1-CD1 4.36Å; V505-I695 HydrophobicContact CG2-CD1 4.11Å; Y521-I695 WeakPolarHBondContact O-CD1 3.45Å; I523-I695 VanDerWaalsContact O-CG2 3.31Å; I523-I695 WeakPolarHBondContact O-CG2 3.42Å; I524-I695 HydrophobicContact CG1-CG1 4.4Å; I524-I695 HydrophobicContact CG1-CG2 4.12Å; F528-I695 HydrophobicContact CB-CG1 4.42Å; F528-I695 HydrophobicContact CD2-CD1 4.3Å; F528-I695 HydrophobicContact CD2-CG1 3.59Å; F528-I695 HydrophobicContact CE2-CG1 4.38Å; F528-I695 HydrophobicContact CG-CG1 4.48Å; I695-G697 PolarHBondContact O-N 2.91Å; I695-E698 PolarHBondContact N-O 2.94Å; I695-E698 VanDerWaalsContact N-O 3.11Å; I695-E698 WeakPolarHBondContact O-CB 3.33Å; I695-E698 PolarHBondContact O-N 3.13Å; I695-W700 HydrophobicContact CB-CZ3 4.33Å; I695-W700 HydrophobicContact CD1-CH2 3.69Å; I695-W700 HydrophobicContact CD1-CZ3 4.02Å; I695-W700 HydrophobicContact CG1-CH2 3.8Å; I695-W700 HydrophobicContact CG1-CZ3 3.83Å
696D91.3Very high92.5Very high21 Ų2133.4 Ų33.411%0.11217%0.169CC..THydrogen-bonded Turntrans50.430.1174.9-64.7-12.8000114.7N525 N526 Y527N525-D696 VanDerWaalsContact CB-OD2 3.31Å; N525-D696 WeakPolarHBondContact CB-OD2 3.46Å; N525-D696 PolarHBondContact N-OD2 2.76Å; N525-D696 PolarHBondContact ND2-OD2 2.94Å; N526-D696 WeakPolarHBondContact CA-OD1 3.36Å; N526-D696 VanDerWaalsContact CB-OD1 3.28Å; N526-D696 WeakPolarHBondContact CB-OD1 3.35Å; N526-D696 PolarHBondContact N-OD1 3.09Å; Y527-D696 PolarHBondContact N-OD1 3.46Å; Y527-D696 PolarHBondContact O-N 3.49Å
697G87.1Confident92.6Very high22 Ų2227.5 Ų27.523%0.22715%0.147CC..THydrogen-bonded Turntrans95.73179.800000115.5I695 P699I695-G697 PolarHBondContact O-N 2.91Å; G697-P699 WeakPolarHBondContact O-CD 3.24Å
698E89.6Confident92.7Very high55 Ų5528.7 Ų28.726%0.25715%0.153SC..EExtended strand (participates in β ladder)trans-108.1104.5-175.6-61.7-71.4163.100109.5P520 Y521 H541 Q694 I695P520-E698 HydrophobicContact CG-CB 4.44Å; Y521-E698 HydrophobicContact CD2-CB 3.83Å; Y521-E698 HydrophobicContact CD2-CG 4.15Å; Y521-E698 HydrophobicContact CE2-CB 3.53Å; Y521-E698 HydrophobicContact CE2-CG 3.45Å; Y521-E698 VanDerWaalsContact CE2-CG 3.45Å; H541-E698 IonicContact CE1-OE2 3.86Å; H541-E698 PolarHBondContact CE1-OE2 3.02Å; H541-E698 IonicContact ND1-OE2 3.53Å; Q694-E698 VanDerWaalsContact CA-O 3.32Å; Q694-E698 WeakPolarHBondContact CA-O 3.3Å; I695-E698 PolarHBondContact N-O 2.94Å; I695-E698 VanDerWaalsContact N-O 3.11Å; I695-E698 WeakPolarHBondContact O-CB 3.33Å; I695-E698 PolarHBondContact O-N 3.13Å
699P92.4Very high93Very high17 Ų1721.9 Ų21.911%0.1112%0.124CC..EExtended strand (participates in β ladder)trans-96155.4-167.537.5-35.8000113.7A537 H538 H541 M693 Q694 G697A537-P699 HydrophobicContact CB-CB 4.02Å; A537-P699 HydrophobicContact CB-CG 4.33Å; H538-P699 VanDerWaalsContact CA-CG 3.44Å; H538-P699 HydrophobicContact CB-CB 3.89Å; H538-P699 HydrophobicContact CB-CG 4.2Å; H541-P699 HydrophobicContact CB-CG 3.63Å; M693-P699 CarbonylContact O-C 3.59Å; M693-P699 VanDerWaalsContact O-CA 3.23Å; M693-P699 WeakPolarHBondContact O-CA 3.34Å; Q694-P699 HydrophobicContact CB-CB 4.02Å; G697-P699 WeakPolarHBondContact O-CD 3.24Å
700W92.4Very high93.4Very high5 Ų520.7 Ų20.72%0.01912%0.123CC..EExtended strand (participates in β ladder)trans-155.4164.4172.176.6106.1000112D517 V519 P520 F528 M693 I695D517-W700 HydrophobicContact CB-CB 3.98Å; V519-W700 HydrophobicContact CG1-CH2 4.4Å; V519-W700 HydrophobicContact CG1-CZ2 4.07Å; P520-W700 VanDerWaalsContact CD-CD2 3.45Å; P520-W700 HydrophobicContact CG-CD2 4.12Å; P520-W700 HydrophobicContact CG-CE3 3.5Å; P520-W700 VanDerWaalsContact CG-CE3 3.5Å; P520-W700 HydrophobicContact CG-CZ3 3.92Å; F528-W700 HydrophobicContact CD2-CH2 4.32Å; F528-W700 AromaticContact CE2-CH2 3.83Å; F528-W700 HydrophobicContact CE2-CH2 3.83Å; F528-W700 HydrophobicContact CE2-CZ2 4.42Å; M693-W700 HydrophobicContact CB-CD2 4.01Å; M693-W700 HydrophobicContact CB-CE3 4.09Å; M693-W700 HydrophobicContact CB-CH2 3.69Å; M693-W700 HydrophobicContact CB-CZ2 3.57Å; M693-W700 HydrophobicContact CB-CZ3 3.97Å; M693-W700 HydrophobicContact CG-CZ2 4.34Å; M693-W700 PolarHBondContact N-O 3.24Å; M693-W700 PolarHBondContact O-N 3.44Å; M693-W700 HydrophobicContact SD-CZ2 3.98Å; I695-W700 HydrophobicContact CB-CZ3 4.33Å; I695-W700 HydrophobicContact CD1-CH2 3.69Å; I695-W700 HydrophobicContact CD1-CZ3 4.02Å; I695-W700 HydrophobicContact CG1-CH2 3.8Å; I695-W700 HydrophobicContact CG1-CZ3 3.83Å
701M91.6Very high93.7Very high68 Ų6820.5 Ų20.534%0.33512%0.116SC..EExtended strand (participates in β ladder)trans-94120.3169.4-74.1-60.6-53.100111.5D517 P690 P692D517-M701 PolarHBondContact N-O 2.8Å; D517-M701 WeakPolarHBondContact OD2-CB 3.33Å; D517-M701 PolarHBondContact OD2-N 3.13Å; P690-M701 HydrophobicContact CB-CE 4.42Å; P692-M701 HydrophobicContact CB-SD 3.74Å
702Q91.8Very high93.9Very high13 Ų1324.4 Ų24.46%0.06113%0.133CC..EExtended strand (participates in β ladder)trans-107.5123-176.3-174.852.562.600111.5V507 P690 L691 M693 C705V507-Q702 HydrophobicContact CG1-CG 4.42Å; P690-Q702 CarbonylContact C-O 3.58Å; P690-Q702 WeakPolarHBondContact CA-O 3.3Å; L691-Q702 PolarHBondContact N-O 3.12Å; L691-Q702 PolarHBondContact O-N 2.94Å; M693-Q702 HydrophobicContact CE-CB 3.59Å; M693-Q702 HydrophobicContact CE-CG 3.57Å; M693-Q702 HydrophobicContact CG-CB 3.91Å; M693-Q702 HydrophobicContact SD-CB 3.49Å; M693-Q702 WeakPolarHBondContact SD-CB 3.43Å; M693-Q702 HydrophobicContact SD-CG 3.58Å; M693-Q702 VanDerWaalsContact SD-CG 3.58Å; Q702-C705 WeakPolarHBondContact CG-SG 3.4Å
703S91.6Very high94Very high17 Ų1725 Ų2512%0.11914%0.135CC..  trans-61.4162168.6-590000111.8E514 C705E514-S703 PolarHBondContact O-OG 2.95Å; S703-C705 PolarHBondContact O-N 3.28Å; S703-C705 PolarHBondContact O-SG 2.65Å; S703-C705 VanDerWaalsContact O-SG 3.36Å
704P93Very high94Very high35 Ų3526.8 Ų26.823%0.22714%0.144CC..SBendtrans-46129.4174.2-28.135.2000112.6D510 T687D510-P704 PolarHBondContact N-O 3.19Å; T687-P704 WeakPolarHBondContact OG1-CA 3.4Å
705C93.9Very high94.1Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-159.8167.8-172.958.80000112.2V507 I508 T687 Q702 S703V507-C705 HydrophobicContact CG1-CB 3.93Å; I508-C705 CarbonylContact O-C 3.57Å; I508-C705 VanDerWaalsContact O-CA 3.3Å; I508-C705 WeakPolarHBondContact O-CA 3.49Å; I508-C705 VanDerWaalsContact O-CB 3.24Å; I508-C705 WeakPolarHBondContact O-CB 3.39Å; T687-C705 PolarHBondContact N-O 3.22Å; T687-C705 PolarHBondContact OG1-N 2.69Å; T687-C705 PolarHBondContact OG1-O 2.59Å; Q702-C705 WeakPolarHBondContact CG-SG 3.4Å; S703-C705 PolarHBondContact O-N 3.28Å; S703-C705 PolarHBondContact O-SG 2.65Å; S703-C705 VanDerWaalsContact O-SG 3.36Å
706T96.3Very high94.3Very high16 Ų1628 Ų2810%0.09815%0.152CC..EExtended strand (participates in β ladder)trans-103.7129.4162.1-60.30000109.4I508 T684 I685 R686I508-T706 PolarHBondContact N-O 3.27Å; I508-T706 PolarHBondContact O-N 3.24Å; T684-T706 HydrophobicContact CG2-CG2 3.9Å; I685-T706 CarbonylContact O-C 3.57Å; I685-T706 WeakPolarHBondContact O-CA 3.46Å; R686-T706 HydrophobicContact CG-CG2 4.16Å; R686-T706 PolarHBondContact NH1-OG1 3.06Å
707I97.4Very high94.6Very high0 Ų027 Ų270%015%0.147CC..EExtended strand (participates in β ladder)trans-113.1124.8179.1-52.4173.1000108.5V505 E506 V507 F528 I530 T684 I685 M693 I709V505-I707 HydrophobicContact CG1-CG2 3.71Å; E506-I707 CarbonylContact O-C 3.58Å; E506-I707 VanDerWaalsContact O-CA 3.32Å; E506-I707 WeakPolarHBondContact O-CA 3.32Å; V507-I707 HydrophobicContact CG2-CG1 4.45Å; F528-I707 HydrophobicContact CZ-CD1 3.87Å; I530-I707 HydrophobicContact CD1-CD1 4.27Å; T684-I707 CarbonylContact C-O 3.59Å; T684-I707 WeakPolarHBondContact CA-O 3.47Å; I685-I707 HydrophobicContact CB-CB 4.29Å; I685-I707 PolarHBondContact N-O 3.06Å; I685-I707 PolarHBondContact O-N 2.96Å; M693-I707 HydrophobicContact CE-CD1 3.66Å; M693-I707 HydrophobicContact SD-CD1 3.52Å; M693-I707 VanDerWaalsContact SD-CD1 3.52Å; I707-I709 HydrophobicContact CG2-CG1 4.15Å
708N97.8Very high95.1Very high31 Ų3126 Ų2617%0.16614%0.137CC..EExtended strand (participates in β ladder)trans-106.8124.7172.6-59-36.2000109.4V505 E506V505-N708 WeakPolarHBondContact CA-O 3.2Å; E506-N708 HydrophobicContact CB-CB 4.3Å; E506-N708 PolarHBondContact N-O 2.89Å; E506-N708 PolarHBondContact O-N 3.21Å; E506-N708 PolarHBondContact OE2-ND2 3.24Å
709I98.2Very high95.4Very high0 Ų024.6 Ų24.60%013%0.13CC..EExtended strand (participates in β ladder)trans-113.6119.1173.8-51.6177.7000108.4W503 S504 V505 I524 F528 V602 L653 I683 I707W503-I709 HydrophobicContact CB-CG2 4.05Å; W503-I709 HydrophobicContact CE3-CG2 4.28Å; S504-I709 WeakPolarHBondContact O-CA 3.42Å; V505-I709 HydrophobicContact CG2-CG1 4.42Å; I524-I709 HydrophobicContact CD1-CD1 4.16Å; I524-I709 HydrophobicContact CD1-CG2 3.97Å; F528-I709 HydrophobicContact CD1-CD1 3.91Å; F528-I709 HydrophobicContact CE1-CD1 4.31Å; F528-I709 HydrophobicContact CG-CD1 4.47Å; V602-I709 HydrophobicContact CB-CD1 4.5Å; V602-I709 HydrophobicContact CG1-CD1 4.16Å; V602-I709 HydrophobicContact CG2-CD1 4.29Å; L653-I709 HydrophobicContact CD1-CG2 3.63Å; I683-I709 HydrophobicContact CB-CB 4.2Å; I683-I709 PolarHBondContact N-O 3.33Å; I683-I709 VanDerWaalsContact N-O 3.07Å; I683-I709 PolarHBondContact O-N 3.22Å; I707-I709 HydrophobicContact CG2-CG1 4.15Å
710T97.4Very high95.6Very high51 Ų5124 Ų2431%0.31313%0.127SC..EExtended strand (participates in β ladder)trans-137.1155.3-176.755.10000111.1W503 S504 Q682 K712W503-T710 CarbonylContact C-O 3.5Å; W503-T710 WeakPolarHBondContact CA-O 3.38Å; S504-T710 PolarHBondContact N-O 2.88Å; S504-T710 PolarHBondContact O-N 3.48Å; S504-T710 VanDerWaalsContact O-N 3.08Å; Q682-T710 HydrophobicContact CG-CG2 4.04Å; T710-K712 PolarHBondContact O-N 3.21Å
711H97.4Very high95.7Very high61 Ų6125.6 Ų25.628%0.28214%0.138SC..EExtended strand (participates in β ladder)trans-65.4125.4178.3174.1-82.3000110.6D501 W503D501-H711 IonicContact OD1-CD2 2.84Å; D501-H711 IonicContact OD1-NE2 2.71Å; D501-H711 PolarHBondContact OD1-NE2 3.42Å; W503-H711 HydrophobicContact CE3-CB 4.12Å; W503-H711 VanDerWaalsContact CE3-N 3.34Å; W503-H711 HydrophobicContact CH2-CB 4.16Å; W503-H711 HydrophobicContact CZ3-CB 3.84Å
712K95.9Very high95.5Very high85 Ų8527 Ų2737%0.3715%0.152SC..EExtended strand (participates in β ladder)trans-90.9-66.1178.2-172.6-168.2-172.680.90110.9R502 I523 T710R502-K712 WeakPolarHBondContact O-CA 3.45Å; R502-K712 VanDerWaalsContact O-CB 3.22Å; R502-K712 WeakPolarHBondContact O-CB 3.35Å; R502-K712 PolarHBondContact O-N 3.16Å; I523-K712 HydrophobicContact CD1-CD 3.79Å; I523-K712 VanDerWaalsContact CD1-CE 3.43Å; I523-K712 HydrophobicContact CG1-CD 3.94Å; I523-K712 HydrophobicContact CG2-CD 4.3Å; T710-K712 PolarHBondContact O-N 3.21Å
713N95.4Very high94.5Very high26 Ų2631.7 Ų31.714%0.13919%0.186CC..EExtended strand (participates in β ladder)trans-163.6-179.6-178.566.228.1000111D449 R456 R502D449-N713 VanDerWaalsContact CG-ND2 3.3Å; D449-N713 PolarHBondContact OD1-ND2 3.27Å; D449-N713 PolarHBondContact OD2-ND2 2.97Å; R456-N713 PolarHBondContact NH1-ND2 3.32Å; R502-N713 PolarHBondContact N-O 3.38Å; R502-N713 PolarHBondContact NH1-OD1 3.25Å; R502-N713 PolarHBondContact O-N 2.86Å
714Q95.7Very high92.8Very high39 Ų3940.7 Ų40.718%0.18222%0.223CC..EExtended strand (participates in β ladder)trans-111.4138.8171.5-73.1177.9-46.300110.9R456 L499 M500 D501 S649R456-Q714 PolarHBondContact NH1-O 3.09Å; L499-Q714 HydrophobicContact CB-CB 4.49Å; M500-Q714 CarbonylContact O-C 3.5Å; M500-Q714 VanDerWaalsContact O-CA 3.27Å; M500-Q714 WeakPolarHBondContact O-CA 3.43Å; D501-Q714 VanDerWaalsContact OD1-CD 3.27Å; D501-Q714 WeakPolarHBondContact OD1-CG 3.36Å; D501-Q714 PolarHBondContact OD1-NE2 3.11Å; S649-Q714 PolarHBondContact O-NE2 3.39Å; S649-Q714 VanDerWaalsContact O-NE2 3.15Å
715A96.4Very high90.2Very high6 Ų644.2 Ų44.25%0.0525%0.249CC..EExtended strand (participates in β ladder)trans-98.5141.4168.200000110.3L445 L499 M500 M717L445-A715 HydrophobicContact CD1-CB 4.45Å; L445-A715 HydrophobicContact CD2-CB 3.92Å; L499-A715 CarbonylContact C-O 3.5Å; L499-A715 WeakPolarHBondContact CA-O 3.28Å; M500-A715 HydrophobicContact CE-CB 4.39Å; M500-A715 PolarHBondContact N-O 2.64Å; M500-A715 PolarHBondContact O-N 3Å; A715-M717 HydrophobicContact CB-SD 4.06Å
716C97Very high87.6Confident20 Ų2048.7 Ų48.714%0.13528%0.28CS..EExtended strand (participates in β ladder)trans-87118.6171.5-166.80000108.9P458 V459P458-C716 CarbonylContact C-O 3.55Å; P458-C716 VanDerWaalsContact CA-O 3.3Å; P458-C716 WeakPolarHBondContact CA-O 3.28Å; P458-C716 HydrophobicContact CB-CB 4.38Å; V459-C716 PolarHBondContact N-O 2.76Å
717M97.9Very high84.6Confident0 Ų051.3 Ų51.30%031%0.31CS..EExtended strand (participates in β ladder)trans-116153.8-177.5-54.5-58.2-68.900110.2V441 L445 V459 V461 L470 L474 Q497 V498 M500 A715V441-M717 HydrophobicContact CG1-CE 4.29Å; L445-M717 HydrophobicContact CD1-SD 4.45Å; L445-M717 HydrophobicContact CD2-SD 4.07Å; V459-M717 HydrophobicContact CB-CE 4.13Å; V459-M717 HydrophobicContact CB-SD 3.99Å; V459-M717 HydrophobicContact CG1-CE 4.3Å; V459-M717 CarbonylContact O-C 3.59Å; V459-M717 WeakPolarHBondContact O-CA 3.27Å; V461-M717 HydrophobicContact CG2-CE 4.38Å; L470-M717 HydrophobicContact CD2-CE 4.14Å; L474-M717 HydrophobicContact CD1-CB 3.94Å; L474-M717 HydrophobicContact CD1-CE 3.64Å; L474-M717 HydrophobicContact CD1-CG 4.35Å; L474-M717 HydrophobicContact CD2-CB 3.94Å; Q497-M717 CarbonylContact C-O 3.52Å; Q497-M717 WeakPolarHBondContact CA-O 3.43Å; V498-M717 HydrophobicContact CG2-CB 3.99Å; V498-M717 PolarHBondContact N-O 3.39Å; V498-M717 PolarHBondContact O-N 3.03Å; M500-M717 HydrophobicContact CB-CG 3.71Å; M500-M717 HydrophobicContact CE-CG 4.42Å; M500-M717 HydrophobicContact CE-SD 4.3Å; M500-M717 HydrophobicContact SD-CG 4.24Å; A715-M717 HydrophobicContact CB-SD 4.06Å
718L98.2Very high81.6Confident2 Ų260 Ų601%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-98.5124.9171.2-64.5176.6000109.4R431 P458 V459 A460 W476 I492 S495 Q497R431-L718 HydrophobicContact CB-CD1 4.33Å; R431-L718 HydrophobicContact CG-CD1 4.42Å; P458-L718 HydrophobicContact CB-CD1 4.39Å; P458-L718 HydrophobicContact CB-CD2 3.57Å; P458-L718 HydrophobicContact CB-CG 3.82Å; P458-L718 HydrophobicContact CG-CD2 4Å; P458-L718 HydrophobicContact CG-CG 4.38Å; V459-L718 PolarHBondContact O-N 2.93Å; A460-L718 HydrophobicContact CB-CB 4.01Å; A460-L718 HydrophobicContact CB-CD1 3.9Å; A460-L718 HydrophobicContact CB-CG 4.46Å; W476-L718 HydrophobicContact CZ2-CB 4.13Å; W476-L718 PolarHBondContact NE1-O 3.07Å; I492-L718 HydrophobicContact CG2-CD1 4.04Å; S495-L718 WeakPolarHBondContact OG-CD2 3.36Å; Q497-L718 HydrophobicContact CG-CD2 3.82Å
719M96.4Very high78.6Confident25 Ų2568.6 Ų68.612%0.12338%0.384CS..EExtended strand (participates in β ladder)trans-98.8124.3172.6-175.6177.9-71.200109.3L474 R475 S495 S496 V498L474-M719 HydrophobicContact CD2-CB 4.42Å; L474-M719 HydrophobicContact CD2-CE 4.38Å; L474-M719 CarbonylContact O-C 3.57Å; L474-M719 WeakPolarHBondContact O-CA 3.31Å; R475-M719 HydrophobicContact CG-CG 4.22Å; S495-M719 WeakPolarHBondContact CA-O 3.3Å; S495-M719 WeakPolarHBondContact CB-O 3.42Å; S496-M719 PolarHBondContact N-O 3.29Å; S496-M719 VanDerWaalsContact N-O 3.08Å; S496-M719 PolarHBondContact O-N 3.29Å; V498-M719 HydrophobicContact CG1-CB 4.05Å; V498-M719 HydrophobicContact CG1-CE 3.96Å; V498-M719 HydrophobicContact CG1-SD 4.41Å; V498-M719 HydrophobicContact CG2-CB 4.24Å; V498-M719 HydrophobicContact CG2-CE 4.26Å
720A96Very high75.4Confident5 Ų581.9 Ų81.94%0.04144%0.442CS..PPolyproline II helixtrans-61.7150.5-178.800000111.6L474 R475 W476L474-A720 PolarHBondContact O-N 2.78Å; R475-A720 HydrophobicContact CB-CB 3.99Å; R475-A720 WeakPolarHBondContact O-CB 3.01Å; W476-A720 HydrophobicContact CD2-CB 3.79Å; W476-A720 HydrophobicContact CE3-CB 3.81Å; W476-A720 HydrophobicContact CG-CB 4.35Å; W476-A720 HydrophobicContact CH2-CB 4.05Å; W476-A720 HydrophobicContact CZ2-CB 4.06Å; W476-A720 HydrophobicContact CZ3-CB 3.94Å
721P93.8Very high74.3Confident38 Ų3883.5 Ų83.525%0.24745%0.449CS..PPolyproline II helixtrans-58.1149.9175.924.4-34.3000111D491 N494 S723D491-P721 HydrophobicContact CB-CG 4.14Å; D491-P721 WeakPolarHBondContact O-CD 3.41Å; N494-P721 HydrophobicContact CB-CG 4.39Å; P721-S723 PolarHBondContact O-N 3.44Å
722P86.9Confident73.1Confident97 Ų9784.6 Ų84.663%0.6346%0.458SS*.PPolyproline II helixtrans-54.9136.2176.1-19.429.2000110.7K724P722-K724 PolarHBondContact O-N 2.69Å; P722-K724 VanDerWaalsContact O-N 3.13Å
723S71.9Confident71.8Confident112 Ų11284.6 Ų84.678%0.78346%0.463SS*.PPolyproline II helixtrans-60.2121172.251.10000108.6P721 S725P721-S723 PolarHBondContact O-N 3.44Å; S723-S725 PolarHBondContact O-N 2.76Å
724K55.7Low70.4Confident205 Ų20588.1 Ų88.189%0.89148%0.482SS*.  trans-61.3110.2168.5-69-176.5-178.8179.40106P722 S726P722-K724 PolarHBondContact O-N 2.69Å; P722-K724 VanDerWaalsContact O-N 3.13Å; K724-S726 PolarHBondContact O-N 3.3Å
725S39.4Very low68.8Low109 Ų10991.1 Ų91.176%0.76250%0.5SS*.  trans-52.1113.1171.557.20000107.3S723 G727S723-S725 PolarHBondContact O-N 2.76Å; S725-G727 PolarHBondContact O-N 3.41Å
726S38.7Very low67Low95 Ų9596.8 Ų96.866%0.66453%0.53SS*.  trans-63.197.5165.849.80000106K724 F728K724-S726 PolarHBondContact O-N 3.3Å; S726-F728 PolarHBondContact O-N 3.22Å
727G32.5Very low64.9Low70 Ų70102.3 Ų102.372%0.72256%0.559SS**  trans-65.779.3173.700000109.4S725 F729S725-G727 PolarHBondContact O-N 3.41Å; G727-F729 PolarHBondContact O-N 3.43Å; G727-F729 VanDerWaalsContact O-N 3.13Å
728F35.7Very low62.3Low184 Ų184110.2 Ų110.281%0.80760%0.602SS**  trans-8171.1159.1-87.6-79.8000107.6S726S726-F728 PolarHBondContact O-N 3.22Å
729F34.6Very low59.3Low210 Ų210119.2 Ų119.292%0.92165%0.651SS**  trans-168.685149.2-86.7-63.9000106.8G727G727-F729 PolarHBondContact O-N 3.43Å; G727-F729 VanDerWaalsContact O-N 3.13Å
730K30.3Very low56Low280 Ų280127.7 Ų127.7100%1.21770%0.699SS**  trans-143.60143.9-108.3-170-178.6-177.90108.3

Retrieved 730 of 730 residues in 284.9 ms (Link to these results)

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