A0A087YSD8_POEFO Loading...

Terminal nucleotidyltransferase 5C

AlphaFold DB , UniProt , Accession A0A087YSD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 383 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
1M34.7Very low51.1Low238 Ų238139.1 Ų139.1100%1.17274%0.736SS**  087.10-81.7168.7168.200106.1N3M1-N3 PolarHBondContact O-N 3.47Å
2E34.5Very low54.8Low193 Ų193131.9 Ų131.990%0.90270%0.702SS**  trans-77.2116.8171.5-78.5173.3155.800107K4E2-K4 VanDerWaalsContact C-N 3.33Å; E2-K4 PolarHBondContact O-N 2.94Å
3N32.5Very low58Low158 Ų158124.4 Ų124.485%0.84567%0.666SS**  trans-62.696.2170.2-80.7-15.4000107.9M1 E5M1-N3 PolarHBondContact O-N 3.47Å; N3-E5 VanDerWaalsContact C-N 3.31Å; N3-E5 PolarHBondContact O-N 3.05Å; N3-E5 VanDerWaalsContact O-N 3.07Å
4K37.7Very low60.8Low194 Ų194123.3 Ų123.384%0.84366%0.66SS**  trans-65.8100.3154.9-80.4-179.7174.4179.50105.9E2 E6E2-K4 VanDerWaalsContact C-N 3.33Å; E2-K4 PolarHBondContact O-N 2.94Å; K4-E6 VanDerWaalsContact C-N 3.35Å; K4-E6 PolarHBondContact O-N 3.32Å
5E38.5Very low63.1Low185 Ų185116 Ų11686%0.86462%0.621SS**  trans-52.9107.6157.5-75.4177.1162.900106.4N3 S7N3-E5 VanDerWaalsContact C-N 3.31Å; N3-E5 PolarHBondContact O-N 3.05Å; N3-E5 VanDerWaalsContact O-N 3.07Å; E5-S7 PolarHBondContact O-N 3.2Å
6E38.8Very low65.2Low187 Ų187113.6 Ų113.687%0.87461%0.612SS**  trans-61.292.3164.3-76.6-179.9158.100106.2K4 S8K4-E6 VanDerWaalsContact C-N 3.35Å; K4-E6 PolarHBondContact O-N 3.32Å; E6-S8 PolarHBondContact O-N 2.97Å
7S49Very low67Low89 Ų89110.5 Ų110.562%0.62259%0.589SS**  trans-49.5107.1166.8168.50000106.9E5 C9E5-S7 PolarHBondContact O-N 3.2Å; S7-C9 PolarHBondContact O-N 3.02Å
8S52.2Low68.5Low94 Ų94111.7 Ų111.766%0.65759%0.591SS**  trans-57.7110.4178610000107.6E6 S10E6-S8 PolarHBondContact O-N 2.97Å; S8-S10 PolarHBondContact O-N 2.92Å
9C63.9Low70Confident98 Ų98106.4 Ų106.466%0.66256%0.562SS**  trans-67.583.1178.6-177.50000108.4S7S7-C9 PolarHBondContact O-N 3.02Å
10S87.8Confident71.3Confident47 Ų47101.1 Ų101.133%0.32954%0.535SS..  trans-95.7129.6177.8-179.40000109.1S8 V12 F217S8-S10 PolarHBondContact O-N 2.92Å; S10-V12 PolarHBondContact O-N 3.07Å; S10-V12 PolarHBondContact OG-N 2.96Å; S10-V12 VanDerWaalsContact OG-N 3.15Å; S10-V12 PolarHBondContact OG-O 2.82Å; S10-F217 PolarHBondContact O-N 2.82Å
11S92.9Very high72.5Confident47 Ų4798 Ų9833%0.32952%0.521SS..SBendtrans-77.7-5.1170.459.50000113.5E211 S212 G215S11-E211 CarbonylContact O-C 3.37Å; S11-E211 VanDerWaalsContact O-CA 3.27Å; S11-E211 WeakPolarHBondContact O-CA 3.19Å; S11-S212 PolarHBondContact O-N 3.38Å; S11-G215 WeakPolarHBondContact CA-O 3.37Å; S11-G215 WeakPolarHBondContact CB-O 3.08Å
12V95.4Very high75.3Confident53 Ų5388.3 Ų88.332%0.32147%0.471SS..EExtended strand (participates in β ladder)trans-122142.9-175.8-177.20000110.1S10 R209 G210 E211S10-V12 PolarHBondContact O-N 3.07Å; S10-V12 PolarHBondContact OG-N 2.96Å; S10-V12 VanDerWaalsContact OG-N 3.15Å; S10-V12 PolarHBondContact OG-O 2.82Å; V12-R209 HydrophobicContact CG1-CB 4.22Å; V12-R209 HydrophobicContact CG1-CG 4.3Å; V12-G210 CarbonylContact C-O 3.44Å; V12-G210 VanDerWaalsContact CA-O 3.3Å; V12-G210 WeakPolarHBondContact CA-O 3.32Å; V12-E211 HydrophobicContact CG2-CG 4.23Å
13S96.1Very high78.2Confident34 Ų3479.1 Ų79.124%0.23843%0.429CS..EExtended strand (participates in β ladder)trans-140.1146.4170.1-174.70000110.2G210 F217S13-G210 PolarHBondContact N-O 2.88Å; S13-G210 PolarHBondContact O-N 3.12Å; S13-F217 VanDerWaalsContact CB-CE1 3.42Å
14D96.4Very high81.2Confident109 Ų10973.2 Ų73.258%0.58340%0.397SS*.EExtended strand (participates in β ladder)trans-73.2142.3166.3-63.4-42.9000109.6R209D14-R209 WeakPolarHBondContact OD1-CG 3.48Å
15L96.6Very high83.9Confident14 Ų1468.2 Ų68.27%0.07338%0.379CS..PPolyproline II helixtrans-80.6139.9175.4-88.464.2000110Q19 V20 V77 L78 I184 V208L15-Q19 HydrophobicContact CB-CB 3.97Å; L15-Q19 HydrophobicContact CD2-CB 3.97Å; L15-Q19 HydrophobicContact CG-CB 3.9Å; L15-V20 HydrophobicContact CB-CG2 3.89Å; L15-V77 HydrophobicContact CD2-CG1 4.26Å; L15-L78 HydrophobicContact CD1-CD2 4.16Å; L15-L78 HydrophobicContact CD2-CD2 4.4Å; L15-L78 HydrophobicContact CG-CD2 4.08Å; L15-I184 HydrophobicContact CD2-CD1 4.14Å; L15-I184 HydrophobicContact CD2-CG1 4.45Å; L15-I184 HydrophobicContact CD2-CG2 3.9Å; L15-V208 HydrophobicContact CB-CB 4.27Å; L15-V208 HydrophobicContact CD2-CB 4.35Å; L15-V208 HydrophobicContact CD2-CG1 4.01Å; L15-V208 PolarHBondContact N-O 2.74Å
16T96.3Very high86.4Confident77 Ų7759.6 Ų59.647%0.47234%0.339SS..PPolyproline II helixtrans-69.2159.417059.30000111.2E18 Q19 V20T16-E18 VanDerWaalsContact C-N 3.26Å; T16-E18 PolarHBondContact O-N 3.49Å; T16-Q19 WeakPolarHBondContact O-CA 3.46Å; T16-Q19 WeakPolarHBondContact O-CB 3.41Å; T16-Q19 PolarHBondContact O-N 3.18Å; T16-Q19 WeakPolarHBondContact OG1-CG 3.39Å; T16-Q19 PolarHBondContact OG1-N 3.14Å; T16-Q19 PolarHBondContact OG1-OE1 2.98Å; T16-Q19 VanDerWaalsContact OG1-OE1 3.05Å; T16-V20 WeakPolarHBondContact O-CG2 3.36Å; T16-V20 PolarHBondContact O-N 3.38Å
17W95.2Very high89.1Confident61 Ų6150.7 Ų50.723%0.23130%0.298CS..Hα-helixtrans-52-43.7175.2164.9-117.6000112.6Q19 V20 S21 M200 S201 E202 H205W17-Q19 VanDerWaalsContact C-N 3.26Å; W17-Q19 PolarHBondContact O-N 3.41Å; W17-V20 HydrophobicContact CE3-CB 4.41Å; W17-V20 CarbonylContact O-C 3.59Å; W17-V20 PolarHBondContact O-N 3.24Å; W17-V20 VanDerWaalsContact O-N 3.11Å; W17-S21 WeakPolarHBondContact O-CB 3.47Å; W17-S21 PolarHBondContact O-N 3.4Å; W17-M200 HydrophobicContact CH2-CB 4.3Å; W17-M200 HydrophobicContact CZ3-CB 4.37Å; W17-S201 VanDerWaalsContact CH2-CA 3.45Å; W17-S201 VanDerWaalsContact CZ3-C 3.48Å; W17-S201 WeakPolarHBondContact CZ3-O 3.49Å; W17-E202 HydrophobicContact CB-CG 4.3Å; W17-E202 HydrophobicContact CD2-CB 4.01Å; W17-E202 HydrophobicContact CD2-CG 4.31Å; W17-E202 HydrophobicContact CG-CB 4.02Å; W17-E202 HydrophobicContact CG-CG 3.8Å; W17-E202 HydrophobicContact CZ2-CB 4.38Å; W17-H205 HydrophobicContact CE3-CB 3.83Å; W17-H205 AromaticContact CE3-CG 3.6Å; W17-H205 AromaticContact CE3-ND1 3.51Å; W17-H205 HydrophobicContact CZ3-CB 3.64Å; W17-H205 AromaticContact CZ3-CG 3.96Å
18E95.1Very high91.2Very high132 Ų13248.6 Ų48.662%0.61728%0.281SS*.Hα-helixtrans-59-38.4177.7-63.7-177.817900112.5T16 R22T16-E18 VanDerWaalsContact C-N 3.26Å; T16-E18 PolarHBondContact O-N 3.49Å; E18-R22 WeakPolarHBondContact O-CG 3.41Å; E18-R22 PolarHBondContact O-N 2.92Å; E18-R22 VanDerWaalsContact O-N 3.13Å; E18-R22 PolarHBondContact O-NH1 3.25Å
19Q96.1Very high93Very high11 Ų1146.5 Ų46.55%0.05126%0.261CS..Hα-helixtrans-71.2-39.8175.9-68.6166.6-34.900111.3L15 T16 W17 R22 L23 V77 L78L15-Q19 HydrophobicContact CB-CB 3.97Å; L15-Q19 HydrophobicContact CD2-CB 3.97Å; L15-Q19 HydrophobicContact CG-CB 3.9Å; T16-Q19 WeakPolarHBondContact O-CA 3.46Å; T16-Q19 WeakPolarHBondContact O-CB 3.41Å; T16-Q19 PolarHBondContact O-N 3.18Å; T16-Q19 WeakPolarHBondContact OG1-CG 3.39Å; T16-Q19 PolarHBondContact OG1-N 3.14Å; T16-Q19 PolarHBondContact OG1-OE1 2.98Å; T16-Q19 VanDerWaalsContact OG1-OE1 3.05Å; W17-Q19 VanDerWaalsContact C-N 3.26Å; W17-Q19 PolarHBondContact O-N 3.41Å; Q19-R22 PolarHBondContact O-N 2.73Å; Q19-L23 WeakPolarHBondContact O-CB 3.46Å; Q19-L23 PolarHBondContact O-N 2.86Å; Q19-V77 VanDerWaalsContact O-CG1 3.32Å; Q19-V77 WeakPolarHBondContact O-CG1 3.42Å; Q19-L78 PolarHBondContact NE2-O 3.27Å
20V96.6Very high94.3Very high1 Ų145.2 Ų45.21%0.00625%0.25CS..Hα-helixtrans-65.6-40.4176177.70000111.3L15 T16 W17 L23 N24 M200 H205 V208L15-V20 HydrophobicContact CB-CG2 3.89Å; T16-V20 WeakPolarHBondContact O-CG2 3.36Å; T16-V20 PolarHBondContact O-N 3.38Å; W17-V20 HydrophobicContact CE3-CB 4.41Å; W17-V20 CarbonylContact O-C 3.59Å; W17-V20 PolarHBondContact O-N 3.24Å; W17-V20 VanDerWaalsContact O-N 3.11Å; V20-L23 WeakPolarHBondContact O-CB 3.13Å; V20-L23 PolarHBondContact O-N 3.48Å; V20-N24 PolarHBondContact O-N 3.42Å; V20-M200 HydrophobicContact CG1-SD 4.24Å; V20-H205 HydrophobicContact CG1-CB 4.25Å; V20-V208 HydrophobicContact CG1-CG2 4.17Å; V20-V208 HydrophobicContact CG2-CB 4.06Å; V20-V208 HydrophobicContact CG2-CG2 3.8Å
21S95.2Very high94.5Very high35 Ų3543 Ų4325%0.24524%0.235CC..Hα-helixtrans-60.7-48.7175-1720000110.9W17 L23 N24 D25W17-S21 WeakPolarHBondContact O-CB 3.47Å; W17-S21 PolarHBondContact O-N 3.4Å; S21-L23 VanDerWaalsContact C-N 3.31Å; S21-L23 PolarHBondContact O-N 2.92Å; S21-N24 WeakPolarHBondContact O-CB 3.34Å; S21-N24 PolarHBondContact O-N 2.79Å; S21-N24 VanDerWaalsContact O-N 3.14Å; S21-D25 VanDerWaalsContact O-CG 3.29Å; S21-D25 PolarHBondContact O-N 2.93Å
22R94.8Very high94.6Very high36 Ų3642 Ų4214%0.13623%0.227CC..Hα-helixtrans-62.3-37.8175.5-73.1-170.1-61-88.9-0.1112.6E18 Q19 N24 D25 V26 V77E18-R22 WeakPolarHBondContact O-CG 3.41Å; E18-R22 PolarHBondContact O-N 2.92Å; E18-R22 VanDerWaalsContact O-N 3.13Å; E18-R22 PolarHBondContact O-NH1 3.25Å; Q19-R22 PolarHBondContact O-N 2.73Å; R22-N24 VanDerWaalsContact C-N 3.33Å; R22-D25 PolarHBondContact O-N 3.17Å; R22-V26 WeakPolarHBondContact O-CG2 3.3Å; R22-V26 PolarHBondContact O-N 3.14Å; R22-V77 VanDerWaalsContact CZ-O 3.31Å; R22-V77 PolarHBondContact NE-O 2.84Å; R22-V77 PolarHBondContact NH2-O 2.9Å
23L95.8Very high94.6Very high0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-60.9-44.8174-179.963.4000111Q19 V20 S21 D25 V26 L27 L69 V77 I184 L186 V189 V208Q19-L23 WeakPolarHBondContact O-CB 3.46Å; Q19-L23 PolarHBondContact O-N 2.86Å; V20-L23 WeakPolarHBondContact O-CB 3.13Å; V20-L23 PolarHBondContact O-N 3.48Å; S21-L23 VanDerWaalsContact C-N 3.31Å; S21-L23 PolarHBondContact O-N 2.92Å; L23-D25 VanDerWaalsContact C-N 3.33Å; L23-D25 PolarHBondContact O-N 2.9Å; L23-V26 PolarHBondContact O-N 3.37Å; L23-L27 HydrophobicContact CD1-CD1 4.06Å; L23-L27 HydrophobicContact CD1-CG 4.19Å; L23-L27 HydrophobicContact CD2-CD1 4.48Å; L23-L27 HydrophobicContact CG-CD1 3.87Å; L23-L27 HydrophobicContact CG-CG 4.37Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 VanDerWaalsContact O-CG 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 2.96Å; L23-L69 HydrophobicContact CD1-CD2 3.61Å; L23-V77 HydrophobicContact CB-CG1 3.81Å; L23-V77 HydrophobicContact CB-CG2 4.45Å; L23-V77 HydrophobicContact CD1-CG1 4.4Å; L23-V77 HydrophobicContact CD1-CG2 4.18Å; L23-I184 HydrophobicContact CD2-CG2 3.9Å; L23-L186 HydrophobicContact CD1-CD2 3.97Å; L23-L186 HydrophobicContact CD2-CD2 4.18Å; L23-V189 HydrophobicContact CD2-CG2 3.98Å; L23-V208 HydrophobicContact CD2-CG1 3.83Å; L23-V208 HydrophobicContact CD2-CG2 4.44Å
24N95.1Very high94.5Very high33 Ų3339.4 Ų39.418%0.17621%0.207CC..Hα-helixtrans-61-42.6176.7174.769.1000111.7V20 S21 R22 V26 L27 T28 Y193 M200V20-N24 PolarHBondContact O-N 3.42Å; S21-N24 WeakPolarHBondContact O-CB 3.34Å; S21-N24 PolarHBondContact O-N 2.79Å; S21-N24 VanDerWaalsContact O-N 3.14Å; R22-N24 VanDerWaalsContact C-N 3.33Å; N24-V26 VanDerWaalsContact C-N 3.34Å; N24-V26 PolarHBondContact O-N 3.26Å; N24-L27 PolarHBondContact O-N 3.25Å; N24-T28 WeakPolarHBondContact O-CB 3.48Å; N24-T28 WeakPolarHBondContact O-CG2 3.2Å; N24-T28 PolarHBondContact O-N 3.4Å; N24-T28 PolarHBondContact O-OG1 3.15Å; N24-Y193 WeakPolarHBondContact OD1-CE1 3.24Å; N24-Y193 PolarHBondContact OD1-OH 2.69Å; N24-M200 HydrophobicContact CB-CE 3.82Å; N24-M200 HydrophobicContact CB-SD 4.17Å; N24-M200 WeakPolarHBondContact OD1-CE 3.36Å
25D93.1Very high94.4Very high90 Ų9035 Ų3548%0.48119%0.188SC..Hα-helixtrans-59.4-46.3176.7-62.4-23.7000111S21 R22 L23 L27 T28 E29S21-D25 VanDerWaalsContact O-CG 3.29Å; S21-D25 PolarHBondContact O-N 2.93Å; R22-D25 PolarHBondContact O-N 3.17Å; L23-D25 VanDerWaalsContact C-N 3.33Å; L23-D25 PolarHBondContact O-N 2.9Å; D25-L27 PolarHBondContact O-N 3Å; D25-T28 PolarHBondContact O-N 3.43Å; D25-T28 PolarHBondContact O-OG1 2.91Å; D25-E29 WeakPolarHBondContact O-CB 3.35Å; D25-E29 PolarHBondContact O-N 3.12Å
26V92.8Very high94.1Very high3 Ų340.7 Ų40.72%0.01821%0.209CC..Hα-helixtrans-61.3-44.6175.5171.10000111.7R22 L23 N24 T28 E29 L46 T73 V77 L89R22-V26 WeakPolarHBondContact O-CG2 3.3Å; R22-V26 PolarHBondContact O-N 3.14Å; L23-V26 PolarHBondContact O-N 3.37Å; N24-V26 VanDerWaalsContact C-N 3.34Å; N24-V26 PolarHBondContact O-N 3.26Å; V26-T28 PolarHBondContact O-N 2.96Å; V26-E29 WeakPolarHBondContact O-CB 3.34Å; V26-L46 HydrophobicContact CG1-CD1 4.12Å; V26-L46 VanDerWaalsContact O-CD1 3.25Å; V26-L46 WeakPolarHBondContact O-CD1 3.43Å; V26-T73 HydrophobicContact CG1-CG2 3.72Å; V26-V77 HydrophobicContact CG2-CG2 4.2Å; V26-L89 HydrophobicContact CG1-CD2 4.27Å
27L94.6Very high93.8Very high0 Ų040.6 Ų40.60%022%0.223CC..Hα-helixtrans-73.2-27.2-175.8-70.4175.9000113.7L23 N24 D25 L46 K47 F91 L186 V189 Y193L23-L27 HydrophobicContact CD1-CD1 4.06Å; L23-L27 HydrophobicContact CD1-CG 4.19Å; L23-L27 HydrophobicContact CD2-CD1 4.48Å; L23-L27 HydrophobicContact CG-CD1 3.87Å; L23-L27 HydrophobicContact CG-CG 4.37Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 VanDerWaalsContact O-CG 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 2.96Å; N24-L27 PolarHBondContact O-N 3.25Å; D25-L27 PolarHBondContact O-N 3Å; L27-L46 HydrophobicContact CD2-CB 4.45Å; L27-L46 PolarHBondContact O-N 3.17Å; L27-K47 HydrophobicContact CB-CB 4.42Å; L27-K47 PolarHBondContact O-N 3.4Å; L27-F91 HydrophobicContact CD2-CE1 3.95Å; L27-F91 HydrophobicContact CD2-CZ 4.27Å; L27-L186 HydrophobicContact CD1-CD2 4.33Å; L27-L186 HydrophobicContact CD2-CD1 4.24Å; L27-V189 HydrophobicContact CD1-CB 4.49Å; L27-V189 HydrophobicContact CD1-CG1 3.76Å; L27-Y193 HydrophobicContact CB-CE2 4.31Å; L27-Y193 HydrophobicContact CD1-CE2 4.18Å
28T93.3Very high93.5Very high45 Ų4545.9 Ų45.928%0.27626%0.256SS..Hα-helixtrans-94.4-9.517958.10000113.2N24 D25 V26 V30 K47 Y193N24-T28 WeakPolarHBondContact O-CB 3.48Å; N24-T28 WeakPolarHBondContact O-CG2 3.2Å; N24-T28 PolarHBondContact O-N 3.4Å; N24-T28 PolarHBondContact O-OG1 3.15Å; D25-T28 PolarHBondContact O-N 3.43Å; D25-T28 PolarHBondContact O-OG1 2.91Å; V26-T28 PolarHBondContact O-N 2.96Å; T28-V30 PolarHBondContact O-N 3.44Å; T28-K47 HydrophobicContact CG2-CD 4.13Å; T28-Y193 HydrophobicContact CG2-CE1 4.38Å
29E89.8Confident93.4Very high50 Ų5042.4 Ų42.423%0.23424%0.239CC..  trans-55.3131.4172.4-168.1-179164.100110.5D25 V26 V31 Y86 R161D25-E29 WeakPolarHBondContact O-CB 3.35Å; D25-E29 PolarHBondContact O-N 3.12Å; V26-E29 WeakPolarHBondContact O-CB 3.34Å; E29-V31 HydrophobicContact CB-CG2 4.5Å; E29-V31 HydrophobicContact CG-CG2 4.24Å; E29-Y86 PolarHBondContact OE2-OH 2.84Å; E29-R161 IonicContact OE1-CZ 2.91Å; E29-R161 IonicContact OE1-NH1 3.31Å; E29-R161 PolarHBondContact OE1-NH1 3.29Å; E29-R161 IonicContact OE2-NH1 2.71Å
30V92.1Very high93.3Very high72 Ų7244 Ų4444%0.43625%0.25SC..EExtended strand (participates in β ladder)trans-83.3118.6170.5-178.10000107.9T28 E43 Q45T28-V30 PolarHBondContact O-N 3.44Å; V30-E43 HydrophobicContact CG1-CB 3.83Å; V30-E43 WeakPolarHBondContact CG1-OE2 2.96Å; V30-Q45 HydrophobicContact CG2-CG 3.82Å
31V92.3Very high93.2Very high1 Ų146.9 Ų46.91%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-112.5128.4-176.5-178.20000109.5E29 V33 V44 L46 L89 N157 V163E29-V31 HydrophobicContact CB-CG2 4.5Å; E29-V31 HydrophobicContact CG-CG2 4.24Å; V31-V33 PolarHBondContact O-N 2.69Å; V31-V44 PolarHBondContact N-O 3.02Å; V31-V44 WeakPolarHBondContact O-CG2 3.36Å; V31-V44 PolarHBondContact O-N 3.31Å; V31-V44 VanDerWaalsContact O-N 3.12Å; V31-L46 HydrophobicContact CB-CD2 4.39Å; V31-L46 HydrophobicContact CG2-CD1 4.44Å; V31-L46 HydrophobicContact CG2-CD2 4Å; V31-L46 HydrophobicContact CG2-CG 4.11Å; V31-L89 HydrophobicContact CB-CD1 4.47Å; V31-L89 HydrophobicContact CG1-CD1 4.03Å; V31-L89 HydrophobicContact CG2-CD1 3.77Å; V31-N157 WeakPolarHBondContact CG1-ND2 3.33Å; V31-V163 HydrophobicContact CG1-CG2 4.11Å
32P93.6Very high93.1Very high26 Ų2645.2 Ų45.217%0.16926%0.256CS..EExtended strand (participates in β ladder)trans-79.7119.2178.129.9-34.1000111.6H34 T41 L42 N157P32-H34 PolarHBondContact O-ND1 2.59Å; P32-T41 HydrophobicContact CB-CG2 3.65Å; P32-L42 WeakPolarHBondContact CA-O 3.43Å; P32-N157 PolarHBondContact O-ND2 3.23Å
33V95.3Very high93Very high1 Ų149.2 Ų49.21%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-95.6108.9168.61770000108.6V31 T41 L42 V44 Y136 L155 S156V31-V33 PolarHBondContact O-N 2.69Å; V33-T41 WeakPolarHBondContact O-CA 3.4Å; V33-L42 HydrophobicContact CB-CB 4.2Å; V33-L42 HydrophobicContact CG1-CD1 4.46Å; V33-L42 PolarHBondContact N-O 2.79Å; V33-L42 PolarHBondContact O-N 2.91Å; V33-V44 HydrophobicContact CG2-CG2 3.73Å; V33-Y136 HydrophobicContact CG1-CD1 4Å; V33-L155 HydrophobicContact CG1-CB 3.88Å; V33-L155 HydrophobicContact CG1-CD1 4.49Å; V33-L155 HydrophobicContact CG2-CB 4.25Å; V33-L155 HydrophobicContact CG2-CD1 4.26Å; V33-S156 CarbonylContact C-O 3.52Å; V33-S156 WeakPolarHBondContact CA-O 3.44Å
34H94.3Very high92.9Very high30 Ų3049.3 Ų49.314%0.13928%0.277CS..PPolyproline II helixtrans-80.6126.2-170.4-66.778.2000111.3P32 S156 N158P32-H34 PolarHBondContact O-ND1 2.59Å; H34-S156 PolarHBondContact N-O 3.45Å; H34-N158 PolarHBondContact CD2-ND2 3.4Å; H34-N158 PolarHBondContact ND1-N 2.69Å
35G93.6Very high92.8Very high17 Ų1750.5 Ų50.518%0.17528%0.281CS..PPolyproline II helixtrans-79.5138.8171.100000111.6
36R92Very high92.9Very high134 Ų13446.2 Ų46.251%0.50626%0.258SS..SBendtrans-77.5145.7171.5-69-177.9180174.30.8111.5N38 F39 E134 A135R36-N38 PolarHBondContact O-N 3.47Å; R36-F39 WeakPolarHBondContact O-CD2 3.32Å; R36-F39 PolarHBondContact O-N 3.28Å; R36-E134 WeakPolarHBondContact CD-O 3.4Å; R36-A135 WeakPolarHBondContact CG-O 3.25Å; R36-A135 PolarHBondContact N-O 3.38Å
37G89.6Confident92.9Very high75 Ų7548.4 Ų48.477%0.77327%0.268SS*.THydrogen-bonded Turntrans67.3-125.9179.900000111.1
38N88.8Confident92.9Very high172 Ų17251.2 Ų51.292%0.9228%0.282SS*.THydrogen-bonded Turntrans-94.59.5-177.2-60.9-26.9000113.3R36R36-N38 PolarHBondContact O-N 3.47Å
39F92.6Very high92.9Very high59 Ų5949.1 Ų49.126%0.25927%0.27SS..PPolyproline II helixtrans-73.8135.6177.8-83.3-93.3000110.6R36 T131 A135 Y136R36-F39 WeakPolarHBondContact O-CD2 3.32Å; R36-F39 PolarHBondContact O-N 3.28Å; F39-T131 HydrophobicContact CE1-CG2 4.18Å; F39-T131 HydrophobicContact CE2-CG2 3.92Å; F39-T131 HydrophobicContact CZ-CG2 3.32Å; F39-A135 HydrophobicContact CB-CB 4.02Å; F39-A135 HydrophobicContact CD1-CB 3.82Å; F39-A135 HydrophobicContact CD2-CB 3.67Å; F39-A135 HydrophobicContact CE1-CB 4.26Å; F39-A135 HydrophobicContact CE2-CB 4.14Å; F39-A135 HydrophobicContact CG-CB 3.52Å; F39-A135 HydrophobicContact CZ-CB 4.44Å; F39-Y136 HydrophobicContact CB-CE1 4.5Å; F39-Y136 HydrophobicContact CB-CE2 4.38Å; F39-Y136 AromaticContact CD1-CE2 3.85Å; F39-Y136 HydrophobicContact CD1-CE2 3.85Å; F39-Y136 HydrophobicContact CG-CE2 4.43Å
40P93.5Very high93.2Very high43 Ų4346.8 Ų46.828%0.27926%0.259SS..PPolyproline II helixtrans-67151.9-178.929-35.3000111.1L118 P119 V122 Y136P40-L118 HydrophobicContact CG-CD2 3.86Å; P40-P119 HydrophobicContact CB-CG 4.04Å; P40-P119 HydrophobicContact CG-CG 3.98Å; P40-V122 HydrophobicContact CG-CG2 4.42Å; P40-Y136 WeakPolarHBondContact CD-OH 3.47Å; P40-Y136 WeakPolarHBondContact O-CE1 3.3Å; P40-Y136 PolarHBondContact O-OH 3.4Å
41T94.8Very high93.3Very high62 Ų6244.6 Ų44.638%0.3825%0.248SC..PPolyproline II helixtrans-69132.8168.3-55.80000109.4P32 V33P32-T41 HydrophobicContact CB-CG2 3.65Å; V33-T41 WeakPolarHBondContact O-CA 3.4Å
42L94.6Very high93.5Very high1 Ų149 Ų491%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-92.6124.8175.5-44.8175.5000108.6P32 V33 V44 L114 F117 L118 Y136P32-L42 WeakPolarHBondContact CA-O 3.43Å; V33-L42 HydrophobicContact CB-CB 4.2Å; V33-L42 HydrophobicContact CG1-CD1 4.46Å; V33-L42 PolarHBondContact N-O 2.79Å; V33-L42 PolarHBondContact O-N 2.91Å; L42-V44 HydrophobicContact CB-CG1 4.01Å; L42-L114 HydrophobicContact CD1-CD2 3.96Å; L42-F117 HydrophobicContact CB-CB 4.43Å; L42-F117 HydrophobicContact CD1-CB 4.21Å; L42-L118 HydrophobicContact CD2-CD2 3.83Å; L42-L118 HydrophobicContact CD2-CG 4.36Å; L42-Y136 HydrophobicContact CD1-CD1 4.02Å; L42-Y136 HydrophobicContact CD1-CD2 4.48Å; L42-Y136 HydrophobicContact CD1-CE1 3.85Å; L42-Y136 HydrophobicContact CD1-CE2 4.34Å; L42-Y136 HydrophobicContact CD1-CG 4.32Å; L42-Y136 HydrophobicContact CD2-CE1 4.11Å; L42-Y136 HydrophobicContact CG-CD1 4.21Å; L42-Y136 HydrophobicContact CG-CE1 3.63Å
43E92.7Very high93.6Very high119 Ų11947.8 Ų47.856%0.55626%0.257SS*.EExtended strand (participates in β ladder)trans-91.8104.6172.9-62.3-59.2153.800108.3V30V30-E43 HydrophobicContact CG1-CB 3.83Å; V30-E43 WeakPolarHBondContact CG1-OE2 2.96Å
44V92.8Very high93.7Very high2 Ų250 Ų501%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-119.5134.1-173.4-580000111.5V31 V33 L42 F117V31-V44 PolarHBondContact N-O 3.02Å; V31-V44 WeakPolarHBondContact O-CG2 3.36Å; V31-V44 PolarHBondContact O-N 3.31Å; V31-V44 VanDerWaalsContact O-N 3.12Å; V33-V44 HydrophobicContact CG2-CG2 3.73Å; L42-V44 HydrophobicContact CB-CG1 4.01Å; V44-F117 HydrophobicContact CB-CE1 4.39Å; V44-F117 HydrophobicContact CG1-CB 4.15Å; V44-F117 HydrophobicContact CG1-CD1 3.69Å; V44-F117 HydrophobicContact CG1-CD2 4.03Å; V44-F117 HydrophobicContact CG1-CE1 4.01Å; V44-F117 HydrophobicContact CG1-CE2 4.32Å; V44-F117 HydrophobicContact CG1-CG 3.7Å; V44-F117 HydrophobicContact CG1-CZ 4.31Å
45Q93.3Very high93.8Very high59 Ų5950.9 Ų50.928%0.27628%0.275SS..EExtended strand (participates in β ladder)trans-84.3139.2165.3-65.7-176.913.400109.5V30 K47 D48 I49V30-Q45 HydrophobicContact CG2-CG 3.82Å; Q45-K47 VanDerWaalsContact C-N 3.33Å; Q45-K47 HydrophobicContact CB-CG 4.27Å; Q45-K47 PolarHBondContact O-N 3.47Å; Q45-D48 HydrophobicContact CB-CB 4.32Å; Q45-D48 PolarHBondContact O-N 3.47Å; Q45-D48 VanDerWaalsContact O-N 3.08Å; Q45-I49 PolarHBondContact O-N 2.93Å; Q45-I49 VanDerWaalsContact O-N 3.14Å
46L94Very high93.9Very high0 Ų053.3 Ų53.30%028%0.282CS..Hα-helixtrans-64.6-38-176.1-61.2-176.4000112.6V26 L27 V31 D48 I49 V50 L89 F91 V163V26-L46 HydrophobicContact CG1-CD1 4.12Å; V26-L46 VanDerWaalsContact O-CD1 3.25Å; V26-L46 WeakPolarHBondContact O-CD1 3.43Å; L27-L46 HydrophobicContact CD2-CB 4.45Å; L27-L46 PolarHBondContact O-N 3.17Å; V31-L46 HydrophobicContact CB-CD2 4.39Å; V31-L46 HydrophobicContact CG2-CD1 4.44Å; V31-L46 HydrophobicContact CG2-CD2 4Å; V31-L46 HydrophobicContact CG2-CG 4.11Å; L46-D48 VanDerWaalsContact C-N 3.26Å; L46-D48 PolarHBondContact O-N 2.92Å; L46-I49 VanDerWaalsContact O-CG2 3.26Å; L46-I49 WeakPolarHBondContact O-CG2 3.03Å; L46-V50 VanDerWaalsContact O-CB 3.3Å; L46-V50 WeakPolarHBondContact O-CB 3.41Å; L46-V50 WeakPolarHBondContact O-CG2 3.27Å; L46-V50 PolarHBondContact O-N 2.75Å; L46-V50 VanDerWaalsContact O-N 3.08Å; L46-L89 HydrophobicContact CD1-CB 4.28Å; L46-L89 HydrophobicContact CD1-CD1 3.7Å; L46-L89 HydrophobicContact CD1-CD2 3.8Å; L46-L89 HydrophobicContact CD1-CG 4.14Å; L46-L89 HydrophobicContact CD2-CD1 3.92Å; L46-L89 HydrophobicContact CG-CD1 4.35Å; L46-F91 HydrophobicContact CB-CE2 4.36Å; L46-F91 HydrophobicContact CB-CZ 3.86Å; L46-F91 HydrophobicContact CD1-CE2 4.16Å; L46-F91 HydrophobicContact CD1-CZ 3.83Å; L46-F91 HydrophobicContact CD2-CE2 4.1Å; L46-F91 HydrophobicContact CD2-CZ 4.4Å; L46-F91 HydrophobicContact CG-CE2 4.44Å; L46-F91 HydrophobicContact CG-CZ 4.25Å; L46-V163 HydrophobicContact CD2-CG1 4.39Å; L46-V163 HydrophobicContact CD2-CG2 3.97Å
47K94.1Very high94.2Very high49 Ų4947 Ų4721%0.21326%0.258CS..Hα-helixtrans-58.9-38.2173.264173.5-178.6172.60112.3L27 T28 Q45 A51 L190 Y193L27-K47 HydrophobicContact CB-CB 4.42Å; L27-K47 PolarHBondContact O-N 3.4Å; T28-K47 HydrophobicContact CG2-CD 4.13Å; Q45-K47 VanDerWaalsContact C-N 3.33Å; Q45-K47 HydrophobicContact CB-CG 4.27Å; Q45-K47 PolarHBondContact O-N 3.47Å; K47-A51 WeakPolarHBondContact O-CB 3.45Å; K47-A51 PolarHBondContact O-N 3.49Å; K47-L190 HydrophobicContact CB-CD2 4.48Å; K47-Y193 HydrophobicContact CB-CD2 3.82Å; K47-Y193 HydrophobicContact CB-CE2 3.72Å; K47-Y193 HydrophobicContact CD-CD1 4.27Å; K47-Y193 HydrophobicContact CD-CD2 3.77Å; K47-Y193 HydrophobicContact CD-CE1 4.3Å; K47-Y193 HydrophobicContact CD-CE2 3.83Å; K47-Y193 HydrophobicContact CD-CG 4.02Å; K47-Y193 HydrophobicContact CG-CD2 4.43Å; K47-Y193 HydrophobicContact CG-CE2 4.41Å
48D93.6Very high94.5Very high58 Ų5847.6 Ų47.631%0.3124%0.241SC..Hα-helixtrans-73.4-45.8-175-66.6-15000111.1Q45 L46 V50 R52 F117Q45-D48 HydrophobicContact CB-CB 4.32Å; Q45-D48 PolarHBondContact O-N 3.47Å; Q45-D48 VanDerWaalsContact O-N 3.08Å; L46-D48 VanDerWaalsContact C-N 3.26Å; L46-D48 PolarHBondContact O-N 2.92Å; D48-V50 VanDerWaalsContact C-N 3.33Å; D48-V50 PolarHBondContact O-N 3.3Å; D48-R52 WeakPolarHBondContact O-CB 3.44Å; D48-R52 VanDerWaalsContact O-CG 3.24Å; D48-R52 WeakPolarHBondContact O-CG 3.46Å; D48-R52 PolarHBondContact O-N 3.5Å; D48-F117 HydrophobicContact CB-CE1 4.45Å; D48-F117 HydrophobicContact CB-CZ 4.3Å
49I94.8Very high94.9Very high2 Ų246.4 Ų46.41%0.0123%0.233CC..Hα-helixtrans-63.6-42.6177.3-170.1170.8000110.6Q45 L46 V53 F117 L155 L165Q45-I49 PolarHBondContact O-N 2.93Å; Q45-I49 VanDerWaalsContact O-N 3.14Å; L46-I49 VanDerWaalsContact O-CG2 3.26Å; L46-I49 WeakPolarHBondContact O-CG2 3.03Å; I49-V53 HydrophobicContact CG1-CG2 4.31Å; I49-V53 WeakPolarHBondContact O-CB 3.32Å; I49-V53 WeakPolarHBondContact O-CG2 3.22Å; I49-V53 PolarHBondContact O-N 3.04Å; I49-F117 HydrophobicContact CB-CE2 4.08Å; I49-F117 HydrophobicContact CB-CZ 4.15Å; I49-F117 HydrophobicContact CG1-CE2 4.11Å; I49-L155 HydrophobicContact CD1-CD1 3.65Å; I49-L165 HydrophobicContact CD1-CD1 4.2Å
50V95.4Very high95Very high0 Ų046.1 Ų46.10%024%0.239CC..Hα-helixtrans-65.4-46.5179.9171.20000111.5L46 D48 V53 R54 I67 F91 F93 L190L46-V50 VanDerWaalsContact O-CB 3.3Å; L46-V50 WeakPolarHBondContact O-CB 3.41Å; L46-V50 WeakPolarHBondContact O-CG2 3.27Å; L46-V50 PolarHBondContact O-N 2.75Å; L46-V50 VanDerWaalsContact O-N 3.08Å; D48-V50 VanDerWaalsContact C-N 3.33Å; D48-V50 PolarHBondContact O-N 3.3Å; V50-V53 PolarHBondContact O-N 2.66Å; V50-R54 PolarHBondContact O-N 3.24Å; V50-I67 HydrophobicContact CG1-CD1 3.73Å; V50-I67 HydrophobicContact CG1-CG2 3.68Å; V50-F91 HydrophobicContact CG2-CD1 3.57Å; V50-F91 HydrophobicContact CG2-CD2 4.17Å; V50-F91 HydrophobicContact CG2-CE1 3.71Å; V50-F91 HydrophobicContact CG2-CE2 4.3Å; V50-F91 HydrophobicContact CG2-CG 3.82Å; V50-F91 HydrophobicContact CG2-CZ 4.09Å; V50-F93 HydrophobicContact CB-CZ 4.44Å; V50-F93 HydrophobicContact CG1-CE1 4.24Å; V50-F93 HydrophobicContact CG1-CZ 4.13Å; V50-F93 HydrophobicContact CG2-CZ 4.33Å; V50-L190 HydrophobicContact CG1-CD1 3.69Å; V50-L190 HydrophobicContact CG1-CD2 4.22Å
51A94.6Very high95.1Very high27 Ų2747.3 Ų47.322%0.22326%0.259CS..Hα-helixtrans-62.2-47.3177.400000111.4K47 V53 R54 S55K47-A51 WeakPolarHBondContact O-CB 3.45Å; K47-A51 PolarHBondContact O-N 3.49Å; A51-V53 PolarHBondContact O-N 3.05Å; A51-R54 WeakPolarHBondContact O-CB 3.27Å; A51-R54 PolarHBondContact O-N 3.13Å; A51-S55 PolarHBondContact O-N 3.11Å; A51-S55 PolarHBondContact O-OG 2.9Å; A51-S55 VanDerWaalsContact O-OG 3.09Å
52R95.5Very high95.2Very high93 Ų9344.6 Ų44.635%0.35124%0.242SC..Hα-helixtrans-61.9-42.6178.2-72.1-179.5-170.1-163.84.7112.2D48 R54 S55 H56 I113D48-R52 WeakPolarHBondContact O-CB 3.44Å; D48-R52 VanDerWaalsContact O-CG 3.24Å; D48-R52 WeakPolarHBondContact O-CG 3.46Å; D48-R52 PolarHBondContact O-N 3.5Å; R52-R54 VanDerWaalsContact C-N 3.34Å; R52-R54 PolarHBondContact O-N 3.46Å; R52-S55 PolarHBondContact O-N 3Å; R52-H56 WeakPolarHBondContact O-CB 3.2Å; R52-H56 PolarHBondContact O-N 2.87Å; R52-H56 PolarHBondContact O-ND1 2.77Å; R52-I113 HydrophobicContact CB-CD1 4.25Å; R52-I113 HydrophobicContact CB-CG1 4.41Å; R52-I113 HydrophobicContact CB-CG2 4.26Å
53V96.9Very high95.3Very high1 Ų153 Ų531%0.00627%0.274CS..Hα-helixtrans-60.3-45.5176.2170.90000110.3I49 V50 A51 L57 F93 V110 I113 L165 F167I49-V53 HydrophobicContact CG1-CG2 4.31Å; I49-V53 WeakPolarHBondContact O-CB 3.32Å; I49-V53 WeakPolarHBondContact O-CG2 3.22Å; I49-V53 PolarHBondContact O-N 3.04Å; V50-V53 PolarHBondContact O-N 2.66Å; A51-V53 PolarHBondContact O-N 3.05Å; V53-L57 HydrophobicContact CG1-CD1 3.84Å; V53-L57 HydrophobicContact CG1-CG 4.3Å; V53-L57 WeakPolarHBondContact O-CB 3.19Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 3.28Å; V53-F93 HydrophobicContact CB-CE1 3.93Å; V53-F93 HydrophobicContact CB-CZ 3.93Å; V53-F93 HydrophobicContact CG1-CD1 4.08Å; V53-F93 HydrophobicContact CG1-CE1 3.55Å; V53-F93 HydrophobicContact CG1-CE2 4.26Å; V53-F93 HydrophobicContact CG1-CZ 3.66Å; V53-V110 HydrophobicContact CG2-CG2 4.39Å; V53-I113 HydrophobicContact CB-CD1 4.02Å; V53-I113 HydrophobicContact CG2-CD1 3.48Å; V53-I113 VanDerWaalsContact CG2-CD1 3.48Å; V53-L165 HydrophobicContact CG2-CD1 4.26Å; V53-F167 HydrophobicContact CG1-CE1 3.68Å; V53-F167 HydrophobicContact CG1-CZ 3.95Å
54R96.7Very high95.5Very high46 Ų4647.7 Ų47.717%0.17425%0.249CC..Hα-helixtrans-55.6-56.6175.5-170.8-173.2-175.4139.87.7111.6V50 A51 R52 H56 L57 E58 V64 I67 D187V50-R54 PolarHBondContact O-N 3.24Å; A51-R54 WeakPolarHBondContact O-CB 3.27Å; A51-R54 PolarHBondContact O-N 3.13Å; R52-R54 VanDerWaalsContact C-N 3.34Å; R52-R54 PolarHBondContact O-N 3.46Å; R54-H56 VanDerWaalsContact C-N 3.34Å; R54-H56 PolarHBondContact O-N 3.26Å; R54-L57 PolarHBondContact O-N 3.4Å; R54-E58 IonicContact CZ-OE1 3.17Å; R54-E58 IonicContact NE-OE1 3.94Å; R54-E58 PolarHBondContact NE-OE1 2.81Å; R54-E58 VanDerWaalsContact NE-OE1 3.17Å; R54-E58 IonicContact NH2-OE1 2.63Å; R54-E58 WeakPolarHBondContact O-CG 3.37Å; R54-E58 PolarHBondContact O-N 2.87Å; R54-V64 HydrophobicContact CG-CB 4.29Å; R54-V64 HydrophobicContact CG-CG1 4.31Å; R54-V64 HydrophobicContact CG-CG2 4.28Å; R54-I67 HydrophobicContact CB-CD1 3.79Å; R54-I67 HydrophobicContact CG-CD1 3.95Å; R54-D187 IonicContact CZ-OD2 3.86Å; R54-D187 VanDerWaalsContact NH1-CG 3.32Å; R54-D187 IonicContact NH1-OD1 3.87Å; R54-D187 IonicContact NH1-OD2 3.93Å; R54-D187 PolarHBondContact NH1-OD2 3.48Å; R54-D187 IonicContact NH2-OD2 2.59Å; R54-D187 PolarHBondContact NH2-OD2 3.39Å
55S95.9Very high95.7Very high49 Ų4952.3 Ų52.334%0.34327%0.269SS..Hα-helixtrans-60.5-42.5-175.1-52.30000111.9A51 R52 E58 L59A51-S55 PolarHBondContact O-N 3.11Å; A51-S55 PolarHBondContact O-OG 2.9Å; A51-S55 VanDerWaalsContact O-OG 3.09Å; R52-S55 PolarHBondContact O-N 3Å; S55-E58 PolarHBondContact O-N 3.36Å; S55-L59 WeakPolarHBondContact O-CB 3.38Å; S55-L59 WeakPolarHBondContact O-CG 3.22Å; S55-L59 PolarHBondContact O-N 2.77Å
56H96.9Very high95.9Very high69 Ų6950 Ų5032%0.31926%0.259SS..Hα-helixtrans-71.9-33-179.6-73.277.1000113.1R52 R54 S60 V109 I113R52-H56 WeakPolarHBondContact O-CB 3.2Å; R52-H56 PolarHBondContact O-N 2.87Å; R52-H56 PolarHBondContact O-ND1 2.77Å; R54-H56 VanDerWaalsContact C-N 3.34Å; R54-H56 PolarHBondContact O-N 3.26Å; H56-S60 VanDerWaalsContact O-CB 3.28Å; H56-S60 WeakPolarHBondContact O-CB 3.43Å; H56-S60 PolarHBondContact O-N 2.67Å; H56-S60 PolarHBondContact O-OG 2.88Å; H56-V109 HydrophobicContact CB-CG1 3.51Å; H56-V109 HydrophobicContact CB-CG2 4.42Å; H56-I113 HydrophobicContact CB-CD1 4.19Å
57L97.3Very high96.1Very high0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-63.9-48.5171.9-74.6175.5000111V53 R54 S60 G61 I62 V64 V95 V106 V109 F167V53-L57 HydrophobicContact CG1-CD1 3.84Å; V53-L57 HydrophobicContact CG1-CG 4.3Å; V53-L57 WeakPolarHBondContact O-CB 3.19Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 3.28Å; R54-L57 PolarHBondContact O-N 3.4Å; L57-S60 CarbonylContact O-C 3.52Å; L57-S60 PolarHBondContact O-N 2.86Å; L57-S60 VanDerWaalsContact O-N 3.12Å; L57-G61 PolarHBondContact O-N 2.86Å; L57-I62 CarbonylContact C-O 3.09Å; L57-I62 HydrophobicContact CB-CB 4.27Å; L57-I62 HydrophobicContact CD2-CB 4.33Å; L57-I62 HydrophobicContact CD2-CD1 3.87Å; L57-I62 HydrophobicContact CD2-CG2 4.41Å; L57-I62 PolarHBondContact O-N 2.87Å; L57-V64 HydrophobicContact CB-CG2 3.9Å; L57-V64 HydrophobicContact CD1-CG2 3.98Å; L57-V95 HydrophobicContact CD1-CG1 4.24Å; L57-V106 HydrophobicContact CD2-CB 4.45Å; L57-V106 HydrophobicContact CD2-CG2 3.87Å; L57-V109 HydrophobicContact CD2-CB 4.27Å; L57-V109 HydrophobicContact CD2-CG1 4.15Å; L57-V109 HydrophobicContact CD2-CG2 4.33Å; L57-V109 HydrophobicContact CG-CG1 4.18Å; L57-F167 HydrophobicContact CD1-CD1 4Å; L57-F167 HydrophobicContact CD1-CE1 3.75Å
58E96.3Very high96.2Very high89 Ų8948.2 Ų48.242%0.41625%0.251SS..Hα-helixtrans-63.4-43.1179.8-70.6177.117500111.6R54 S55 S60 G61 I62 V64R54-E58 IonicContact CZ-OE1 3.17Å; R54-E58 IonicContact NE-OE1 3.94Å; R54-E58 PolarHBondContact NE-OE1 2.81Å; R54-E58 VanDerWaalsContact NE-OE1 3.17Å; R54-E58 IonicContact NH2-OE1 2.63Å; R54-E58 WeakPolarHBondContact O-CG 3.37Å; R54-E58 PolarHBondContact O-N 2.87Å; S55-E58 PolarHBondContact O-N 3.36Å; E58-S60 PolarHBondContact O-N 3.21Å; E58-G61 PolarHBondContact O-N 2.84Å; E58-I62 WeakPolarHBondContact CA-O 3.4Å; E58-I62 PolarHBondContact N-O 2.83Å; E58-V64 HydrophobicContact CG-CB 4.38Å; E58-V64 HydrophobicContact CG-CG2 4.07Å
59L96.6Very high96.4Very high146 Ų14645.4 Ų45.476%0.76424%0.236SC*.Hα-helixtrans-61.7-30.3173.9-74.6171.3000113S55 G61S55-L59 WeakPolarHBondContact O-CB 3.38Å; S55-L59 WeakPolarHBondContact O-CG 3.22Å; S55-L59 PolarHBondContact O-N 2.77Å; L59-G61 VanDerWaalsContact C-N 3.26Å; L59-G61 PolarHBondContact O-N 3.46Å
60S95.5Very high96.3Very high53 Ų5346.4 Ų46.437%0.37124%0.241SC..THydrogen-bonded Turntrans-85.94177.4-54.10000113.2H56 L57 E58 L105H56-S60 VanDerWaalsContact O-CB 3.28Å; H56-S60 WeakPolarHBondContact O-CB 3.43Å; H56-S60 PolarHBondContact O-N 2.67Å; H56-S60 PolarHBondContact O-OG 2.88Å; L57-S60 CarbonylContact O-C 3.52Å; L57-S60 PolarHBondContact O-N 2.86Å; L57-S60 VanDerWaalsContact O-N 3.12Å; E58-S60 PolarHBondContact O-N 3.21Å; S60-L105 WeakPolarHBondContact O-CD2 3.42Å
61G95.4Very high95.8Very high69 Ų6946.9 Ų46.971%0.71125%0.246SC*.THydrogen-bonded Turntrans86.78.1177.700000115.2L57 E58 L59L57-G61 PolarHBondContact O-N 2.86Å; E58-G61 PolarHBondContact O-N 2.84Å; L59-G61 VanDerWaalsContact C-N 3.26Å; L59-G61 PolarHBondContact O-N 3.46Å
62I96.5Very high95.4Very high5 Ų547 Ų473%0.02625%0.246CC..  trans-91.1115.7173.1-63176.6000108.8L57 E58 V64 V95 E102 L105 V106L57-I62 CarbonylContact C-O 3.09Å; L57-I62 HydrophobicContact CB-CB 4.27Å; L57-I62 HydrophobicContact CD2-CB 4.33Å; L57-I62 HydrophobicContact CD2-CD1 3.87Å; L57-I62 HydrophobicContact CD2-CG2 4.41Å; L57-I62 PolarHBondContact O-N 2.87Å; E58-I62 WeakPolarHBondContact CA-O 3.4Å; E58-I62 PolarHBondContact N-O 2.83Å; I62-V64 PolarHBondContact O-N 2.92Å; I62-V95 HydrophobicContact CG2-CB 3.92Å; I62-V95 HydrophobicContact CG2-CG1 4.05Å; I62-E102 HydrophobicContact CD1-CB 4.14Å; I62-E102 HydrophobicContact CD1-CG 4.47Å; I62-E102 HydrophobicContact CG1-CB 4.48Å; I62-E102 HydrophobicContact CG1-CG 4.3Å; I62-L105 HydrophobicContact CD1-CB 4.03Å; I62-L105 HydrophobicContact CD1-CD2 3.6Å; I62-L105 HydrophobicContact CD1-CG 3.86Å; I62-L105 HydrophobicContact CG1-CD2 3.78Å; I62-V106 HydrophobicContact CD1-CG2 3.75Å
63R95.6Very high95.2Very high176 Ų17642.6 Ų42.666%0.66423%0.229SC*.  trans-70125.4176.4-174.3179.5-176.1-179.52.2110.8V95 D96R63-V95 WeakPolarHBondContact O-CA 3.47Å; R63-D96 PolarHBondContact O-N 2.93Å
64V97.6Very high95Very high8 Ų842.6 Ų42.65%0.04823%0.229CC..EExtended strand (participates in β ladder)trans-98.6116169.2-173.10000108.6R54 L57 E58 I62 I67 F93 V95R54-V64 HydrophobicContact CG-CB 4.29Å; R54-V64 HydrophobicContact CG-CG1 4.31Å; R54-V64 HydrophobicContact CG-CG2 4.28Å; L57-V64 HydrophobicContact CB-CG2 3.9Å; L57-V64 HydrophobicContact CD1-CG2 3.98Å; E58-V64 HydrophobicContact CG-CB 4.38Å; E58-V64 HydrophobicContact CG-CG2 4.07Å; I62-V64 PolarHBondContact O-N 2.92Å; V64-I67 HydrophobicContact CG1-CD1 4.46Å; V64-I67 HydrophobicContact CG1-CG1 3.94Å; V64-F93 HydrophobicContact CG1-CD1 4.48Å; V64-V95 HydrophobicContact CB-CG1 4.46Å; V64-V95 HydrophobicContact CG1-CG1 4.5Å; V64-V95 HydrophobicContact CG2-CG1 4Å
65K96.9Very high94.8Very high99 Ų9940.4 Ų40.443%0.4322%0.221SC..EExtended strand (participates in β ladder)trans-76-47.4-178.3-64.8171-176.9155.60111.6R94 D96K65-R94 HydrophobicContact CB-CB 4.06Å; K65-R94 WeakPolarHBondContact CB-O 3.34Å; K65-R94 PolarHBondContact N-O 3.13Å; K65-D96 WeakPolarHBondContact CE-OD1 3.44Å; K65-D96 IonicContact NZ-OD1 3.36Å; K65-D96 PolarHBondContact NZ-OD1 3.22Å
66D97.1Very high94.5Very high12 Ų1240 Ų406%0.06421%0.213CC..EExtended strand (participates in β ladder)trans-163.4173.5169.369.91.4000109.9R68 R94 V185 D187D66-R68 IonicContact OD1-NE 2.59Å; D66-R68 PolarHBondContact OD1-NE 2.99Å; D66-R68 IonicContact OD2-CZ 3.55Å; D66-R68 IonicContact OD2-NE 2.7Å; D66-R68 PolarHBondContact OD2-NE 2.81Å; D66-R68 IonicContact OD2-NH2 3.13Å; D66-R68 PolarHBondContact OD2-NH2 3.36Å; D66-R94 VanDerWaalsContact CG-NE 3.3Å; D66-R94 VanDerWaalsContact CG-NH2 3.25Å; D66-R94 PolarHBondContact O-N 3.45Å; D66-R94 WeakPolarHBondContact OD1-CB 3.28Å; D66-R94 WeakPolarHBondContact OD1-CD 3.37Å; D66-R94 VanDerWaalsContact OD1-CG 3.27Å; D66-R94 WeakPolarHBondContact OD1-CG 3.18Å; D66-R94 IonicContact OD1-CZ 2.69Å; D66-R94 IonicContact OD1-NE 3.95Å; D66-R94 PolarHBondContact OD1-NE 2.64Å; D66-R94 IonicContact OD1-NH2 2.79Å; D66-R94 PolarHBondContact OD1-NH2 2.83Å; D66-R94 IonicContact OD2-CZ 3.64Å; D66-R94 IonicContact OD2-NE 3.8Å; D66-R94 PolarHBondContact OD2-NE 3Å; D66-R94 IonicContact OD2-NH2 3.19Å; D66-R94 PolarHBondContact OD2-NH2 2.94Å; D66-V185 HydrophobicContact CB-CG1 4.43Å; D66-D187 WeakPolarHBondContact CA-OD1 3.45Å
67I98.1Very high94.3Very high0 Ų036.7 Ų36.70%020%0.198CC..EExtended strand (participates in β ladder)trans-123.3137174.7-53.1172.5000108.9V50 R54 V64 I92 F93 L186 D187 L190V50-I67 HydrophobicContact CG1-CD1 3.73Å; V50-I67 HydrophobicContact CG1-CG2 3.68Å; R54-I67 HydrophobicContact CB-CD1 3.79Å; R54-I67 HydrophobicContact CG-CD1 3.95Å; V64-I67 HydrophobicContact CG1-CD1 4.46Å; V64-I67 HydrophobicContact CG1-CG1 3.94Å; I67-I92 CarbonylContact C-O 3.55Å; I67-I92 WeakPolarHBondContact CA-O 3.49Å; I67-F93 HydrophobicContact CD1-CD1 3.92Å; I67-F93 HydrophobicContact CD1-CE1 3.7Å; I67-F93 HydrophobicContact CG1-CD1 3.81Å; I67-F93 HydrophobicContact CG1-CE1 4.05Å; I67-F93 HydrophobicContact CG2-CD1 4.32Å; I67-F93 HydrophobicContact CG2-CE1 4.18Å; I67-F93 HydrophobicContact CG2-CZ 4.4Å; I67-L186 HydrophobicContact CG2-CD1 4.13Å; I67-L186 PolarHBondContact O-N 3.25Å; I67-D187 PolarHBondContact N-OD1 3Å; I67-L190 HydrophobicContact CB-CD1 4.4Å; I67-L190 HydrophobicContact CD1-CD1 3.82Å
68R97.8Very high94.2Very high10 Ų1036.9 Ų36.94%0.03820%0.199CC..EExtended strand (participates in β ladder)trans-131.2137.1-175.9-57.8174.8170.2-133.3-16.2111.7D66 F91 I92 R94 Q183 I184 V185 E211D66-R68 IonicContact OD1-NE 2.59Å; D66-R68 PolarHBondContact OD1-NE 2.99Å; D66-R68 IonicContact OD2-CZ 3.55Å; D66-R68 IonicContact OD2-NE 2.7Å; D66-R68 PolarHBondContact OD2-NE 2.81Å; D66-R68 IonicContact OD2-NH2 3.13Å; D66-R68 PolarHBondContact OD2-NH2 3.36Å; R68-F91 CarbonylContact O-C 3.6Å; R68-F91 WeakPolarHBondContact O-CA 3.47Å; R68-I92 HydrophobicContact CB-CB 4.28Å; R68-I92 PolarHBondContact N-O 3.43Å; R68-I92 PolarHBondContact O-N 3Å; R68-R94 VanDerWaalsContact CZ-CZ 3.46Å; R68-R94 VanDerWaalsContact NH2-CZ 3.29Å; R68-R94 VanDerWaalsContact NH2-NH2 3.17Å; R68-Q183 HydrophobicContact CB-CB 4.32Å; R68-Q183 VanDerWaalsContact CD-OE1 3.25Å; R68-I184 CarbonylContact C-O 3.51Å; R68-I184 WeakPolarHBondContact CA-O 3.39Å; R68-V185 HydrophobicContact CG-CG2 4.4Å; R68-E211 IonicContact CZ-OE2 2.64Å; R68-E211 IonicContact NH1-OE1 2.69Å; R68-E211 IonicContact NH1-OE2 3.45Å; R68-E211 PolarHBondContact NH1-OE2 3.42Å; R68-E211 IonicContact NH2-OE2 3.73Å; R68-E211 PolarHBondContact NH2-OE2 3.44Å
69L96.4Very high93.9Very high0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-83.9131.4164.5-177.570.8000108.7L23 T73 V77 F91 Q183 I184 L186L23-L69 HydrophobicContact CD1-CD2 3.61Å; L69-T73 HydrophobicContact CD1-CG2 3.97Å; L69-T73 HydrophobicContact CD2-CG2 4Å; L69-T73 HydrophobicContact CG-CG2 4.32Å; L69-V77 HydrophobicContact CD2-CG2 4.06Å; L69-F91 HydrophobicContact CD1-CD1 4.2Å; L69-F91 HydrophobicContact CD1-CE1 3.74Å; L69-F91 HydrophobicContact CD1-CZ 3.98Å; L69-Q183 CarbonylContact O-C 3.5Å; L69-Q183 VanDerWaalsContact O-CA 3.27Å; L69-Q183 WeakPolarHBondContact O-CA 3.49Å; L69-I184 HydrophobicContact CB-CB 4.35Å; L69-I184 HydrophobicContact CD2-CD1 4.46Å; L69-I184 PolarHBondContact N-O 3.19Å; L69-I184 PolarHBondContact O-N 3.49Å; L69-L186 HydrophobicContact CB-CD1 4.15Å; L69-L186 HydrophobicContact CB-CD2 3.95Å; L69-L186 HydrophobicContact CB-CG 4.29Å
70N93.5Very high93.2Very high22 Ų2232.4 Ų32.412%0.11818%0.176CC..EExtended strand (participates in β ladder)trans-126.8-177.4-175.4-169.433.4000111.6A74 D90 I92 F182 Q183N70-A74 PolarHBondContact O-N 3.5Å; N70-D90 HydrophobicContact CB-CB 4.13Å; N70-D90 PolarHBondContact N-O 3.09Å; N70-I92 HydrophobicContact CB-CD1 3.73Å; N70-I92 HydrophobicContact CB-CG1 4.08Å; N70-I92 WeakPolarHBondContact ND2-CD1 3.33Å; N70-F182 PolarHBondContact OD1-O 3.33Å; N70-F182 VanDerWaalsContact OD1-O 3.13Å; N70-Q183 HydrophobicContact CB-CG 4.45Å
71G85.6Confident91.9Very high10 Ų1035.8 Ų35.810%0.10319%0.19CC..Hα-helixtrans72.6-155.316600000113T73 A74 S75G71-T73 PolarHBondContact O-N 3.41Å; G71-A74 PolarHBondContact O-N 3.21Å; G71-S75 PolarHBondContact O-N 3.01Å
72S85.8Confident90.4Very high31 Ų3132.9 Ų32.922%0.21716%0.158CC..Hα-helixtrans-62.6-27.1-177.565.50000113S75 H76 K87S72-S75 PolarHBondContact O-N 2.79Å; S72-H76 PolarHBondContact O-N 2.95Å; S72-K87 PolarHBondContact OG-N 2.93Å
73T90.3Very high88.6Confident0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-69.7-42.3179.4-53.40000111.5V26 L69 G71 S75 H76 V77 Y86 D88 L89V26-T73 HydrophobicContact CG1-CG2 3.72Å; L69-T73 HydrophobicContact CD1-CG2 3.97Å; L69-T73 HydrophobicContact CD2-CG2 4Å; L69-T73 HydrophobicContact CG-CG2 4.32Å; G71-T73 PolarHBondContact O-N 3.41Å; T73-S75 VanDerWaalsContact C-N 3.32Å; T73-S75 PolarHBondContact O-N 3.42Å; T73-H76 WeakPolarHBondContact O-CB 3.35Å; T73-H76 PolarHBondContact O-N 3.32Å; T73-V77 WeakPolarHBondContact O-CG2 3.25Å; T73-V77 PolarHBondContact O-N 3.02Å; T73-Y86 HydrophobicContact CG2-CD2 3.97Å; T73-Y86 HydrophobicContact CG2-CG 4.44Å; T73-D88 PolarHBondContact OG1-O 2.97Å; T73-L89 HydrophobicContact CG2-CD2 3.85Å
74A93.4Very high87Confident0 Ų029.1 Ų29.10%016%0.161CC..Hα-helixtrans-60.5-43.2173.300000111.7N70 G71 H76 V77 L78 F182 I184N70-A74 PolarHBondContact O-N 3.5Å; G71-A74 PolarHBondContact O-N 3.21Å; A74-H76 VanDerWaalsContact C-N 3.34Å; A74-H76 PolarHBondContact O-N 3.44Å; A74-V77 PolarHBondContact O-N 3.25Å; A74-L78 WeakPolarHBondContact O-CG 3.4Å; A74-L78 PolarHBondContact O-N 3.07Å; A74-L78 VanDerWaalsContact O-N 3.12Å; A74-F182 HydrophobicContact CB-CB 4.07Å; A74-F182 WeakPolarHBondContact CB-O 3.37Å; A74-I184 HydrophobicContact CB-CD1 4.17Å; A74-I184 HydrophobicContact CB-CG1 4.27Å
75S91.9Very high85.3Confident1 Ų131.5 Ų31.51%0.00718%0.178CC..Hα-helixtrans-61.4-42.1176-540000112G71 S72 T73 V77 L78 V79 I82 V179G71-S75 PolarHBondContact O-N 3.01Å; S72-S75 PolarHBondContact O-N 2.79Å; T73-S75 VanDerWaalsContact C-N 3.32Å; T73-S75 PolarHBondContact O-N 3.42Å; S75-V77 PolarHBondContact O-N 2.7Å; S75-L78 PolarHBondContact O-N 2.91Å; S75-V79 PolarHBondContact O-N 2.57Å; S75-I82 WeakPolarHBondContact O-CD1 3.34Å; S75-V179 PolarHBondContact OG-O 3.01Å
76H90.4Very high83.9Confident40 Ų4028 Ų2819%0.18516%0.162CC..Hα-helixtrans-62.1-39.7176.2179.673.4000113.2S72 T73 A74 L78 V79 Y86S72-H76 PolarHBondContact O-N 2.95Å; T73-H76 WeakPolarHBondContact O-CB 3.35Å; T73-H76 PolarHBondContact O-N 3.32Å; A74-H76 VanDerWaalsContact C-N 3.34Å; A74-H76 PolarHBondContact O-N 3.44Å; H76-L78 VanDerWaalsContact C-N 3.3Å; H76-L78 PolarHBondContact O-N 3.12Å; H76-V79 CarbonylContact O-C 3.58Å; H76-Y86 HydrophobicContact CB-CD1 3.98Å; H76-Y86 HydrophobicContact CB-CG 4.31Å; H76-Y86 AromaticContact CD2-CD1 3.25Å; H76-Y86 WeakPolarHBondContact CD2-CD1 3.29Å; H76-Y86 AromaticContact CD2-CE1 3.37Å; H76-Y86 WeakPolarHBondContact CD2-CE1 3.3Å; H76-Y86 AromaticContact CE1-CD1 3.91Å; H76-Y86 AromaticContact CE1-CE1 4Å; H76-Y86 AromaticContact CG-CD1 3.4Å; H76-Y86 VanDerWaalsContact CG-CD1 3.4Å; H76-Y86 AromaticContact ND1-CD1 3.81Å; H76-Y86 AromaticContact NE2-CD1 3.61Å; H76-Y86 AromaticContact NE2-CE1 3.38Å; H76-Y86 WeakPolarHBondContact NE2-CE1 3.47Å
77V93.3Very high82.7Confident0 Ų028.3 Ų28.30%016%0.163CC..Hα-helixtrans-61.7-41.8174.2170.40000110.6L15 Q19 R22 L23 V26 L69 T73 A74 S75 I184L15-V77 HydrophobicContact CD2-CG1 4.26Å; Q19-V77 VanDerWaalsContact O-CG1 3.32Å; Q19-V77 WeakPolarHBondContact O-CG1 3.42Å; R22-V77 VanDerWaalsContact CZ-O 3.31Å; R22-V77 PolarHBondContact NE-O 2.84Å; R22-V77 PolarHBondContact NH2-O 2.9Å; L23-V77 HydrophobicContact CB-CG1 3.81Å; L23-V77 HydrophobicContact CB-CG2 4.45Å; L23-V77 HydrophobicContact CD1-CG1 4.4Å; L23-V77 HydrophobicContact CD1-CG2 4.18Å; V26-V77 HydrophobicContact CG2-CG2 4.2Å; L69-V77 HydrophobicContact CD2-CG2 4.06Å; T73-V77 WeakPolarHBondContact O-CG2 3.25Å; T73-V77 PolarHBondContact O-N 3.02Å; A74-V77 PolarHBondContact O-N 3.25Å; S75-V77 PolarHBondContact O-N 2.7Å; V77-I184 HydrophobicContact CB-CD1 3.71Å; V77-I184 HydrophobicContact CG1-CD1 3.54Å; V77-I184 HydrophobicContact CG2-CD1 4.38Å
78L93.5Very high81.9Confident4 Ų429.9 Ų29.92%0.02117%0.171CC..Hα-helixtrans-73.2-37.9-176.9-66.9177.2000114L15 Q19 A74 S75 H76 F182 I184 F217 L221L15-L78 HydrophobicContact CD1-CD2 4.16Å; L15-L78 HydrophobicContact CD2-CD2 4.4Å; L15-L78 HydrophobicContact CG-CD2 4.08Å; Q19-L78 PolarHBondContact NE2-O 3.27Å; A74-L78 WeakPolarHBondContact O-CG 3.4Å; A74-L78 PolarHBondContact O-N 3.07Å; A74-L78 VanDerWaalsContact O-N 3.12Å; S75-L78 PolarHBondContact O-N 2.91Å; H76-L78 VanDerWaalsContact C-N 3.3Å; H76-L78 PolarHBondContact O-N 3.12Å; L78-F182 HydrophobicContact CD1-CB 3.67Å; L78-F182 HydrophobicContact CD1-CD1 3.26Å; L78-F182 HydrophobicContact CD1-CD2 3.98Å; L78-F182 HydrophobicContact CD1-CE1 3.78Å; L78-F182 HydrophobicContact CD1-CE2 4.43Å; L78-F182 HydrophobicContact CD1-CG 3.35Å; L78-F182 HydrophobicContact CD1-CZ 4.32Å; L78-I184 HydrophobicContact CD2-CD1 4.44Å; L78-I184 HydrophobicContact CG-CD1 4.4Å; L78-F217 HydrophobicContact CD1-CE2 4.3Å; L78-F217 HydrophobicContact CD1-CZ 3.86Å; L78-F217 HydrophobicContact CD2-CZ 3.97Å; L78-L221 HydrophobicContact CB-CD1 4.11Å
79V90.4Very high81.5Confident25 Ų2529.4 Ų29.415%0.15217%0.17CC..SBendtrans-136.1121.2-179.4-179.30000109.2S75 H76 I82 L221 L224 R225S75-V79 PolarHBondContact O-N 2.57Å; H76-V79 CarbonylContact O-C 3.58Å; V79-I82 HydrophobicContact CB-CD1 4.08Å; V79-I82 HydrophobicContact CB-CG1 3.93Å; V79-I82 HydrophobicContact CG1-CG1 3.89Å; V79-I82 WeakPolarHBondContact O-CD1 3.42Å; V79-I82 VanDerWaalsContact O-CG1 3.28Å; V79-I82 WeakPolarHBondContact O-CG1 3.37Å; V79-L221 HydrophobicContact CG2-CD1 3.71Å; V79-L224 HydrophobicContact CB-CD2 4.03Å; V79-L224 HydrophobicContact CB-CG 4.32Å; V79-L224 HydrophobicContact CG2-CD2 3.71Å; V79-L224 HydrophobicContact CG2-CG 4.06Å; V79-R225 HydrophobicContact CG1-CG 4.42Å; V79-R225 HydrophobicContact CG2-CG 3.84Å
80Q82.1Confident81.4Confident116 Ų11630.9 Ų30.954%0.54218%0.177SC..THydrogen-bonded Turntrans-69.4150.4176.2-169.3179.5-16.300111.1I82Q80-I82 PolarHBondContact O-N 2.9Å
81D67.7Low81.5Confident123 Ų12329.9 Ų29.966%0.65817%0.172SC*.THydrogen-bonded Turntrans54.143168.1-59.4-31.7000115.9G83D81-G83 PolarHBondContact O-N 3.27Å
82I64.6Low82.1Confident8 Ų829.9 Ų29.94%0.04117%0.17CC..  trans-63.4-3176.5-54.6153.7000112.5S75 V79 Q80 L224 F253S75-I82 WeakPolarHBondContact O-CD1 3.34Å; V79-I82 HydrophobicContact CB-CD1 4.08Å; V79-I82 HydrophobicContact CB-CG1 3.93Å; V79-I82 HydrophobicContact CG1-CG1 3.89Å; V79-I82 WeakPolarHBondContact O-CD1 3.42Å; V79-I82 VanDerWaalsContact O-CG1 3.28Å; V79-I82 WeakPolarHBondContact O-CG1 3.37Å; Q80-I82 PolarHBondContact O-N 2.9Å; I82-L224 HydrophobicContact CD1-CD1 3.95Å; I82-L224 HydrophobicContact CD1-CD2 4.11Å; I82-L224 HydrophobicContact CD1-CG 4.2Å; I82-L224 HydrophobicContact CG1-CD1 4.38Å; I82-L224 HydrophobicContact CG2-CD1 4.07Å; I82-F253 HydrophobicContact CG2-CE2 4.13Å; I82-F253 HydrophobicContact CG2-CZ 3.61Å
83G58.1Low82.7Confident56 Ų5628.4 Ų28.458%0.57716%0.159SC*.SBendtrans89.117.8176.900000114D81D81-G83 PolarHBondContact O-N 3.27Å
84W63Low83.1Confident46 Ų4632.6 Ų32.617%0.17418%0.175CC..SBendtrans-149.1142.6172.355.3-5.2000111L248 F253W84-L248 HydrophobicContact CH2-CD2 3.43Å; W84-L248 VanDerWaalsContact CH2-CD2 3.43Å; W84-L248 HydrophobicContact CZ2-CD2 4.15Å; W84-L248 HydrophobicContact CZ3-CD2 4.12Å; W84-F253 HydrophobicContact CZ2-CE2 4.49Å; W84-F253 HydrophobicContact CZ2-CZ 4.44Å
85S62Low83.3Confident58 Ų5832.6 Ų32.641%0.40618%0.175SC..  trans-63.5135170.453.10000109.4K87S85-K87 PolarHBondContact O-N 3.44Å
86Y67.4Low83.4Confident26 Ų2635.1 Ų35.110%0.10219%0.189CC..  trans-67.2127.5164.560.2-86.1000107.3E29 T73 H76 L89E29-Y86 PolarHBondContact OE2-OH 2.84Å; T73-Y86 HydrophobicContact CG2-CD2 3.97Å; T73-Y86 HydrophobicContact CG2-CG 4.44Å; H76-Y86 HydrophobicContact CB-CD1 3.98Å; H76-Y86 HydrophobicContact CB-CG 4.31Å; H76-Y86 AromaticContact CD2-CD1 3.25Å; H76-Y86 WeakPolarHBondContact CD2-CD1 3.29Å; H76-Y86 AromaticContact CD2-CE1 3.37Å; H76-Y86 WeakPolarHBondContact CD2-CE1 3.3Å; H76-Y86 AromaticContact CE1-CD1 3.91Å; H76-Y86 AromaticContact CE1-CE1 4Å; H76-Y86 AromaticContact CG-CD1 3.4Å; H76-Y86 VanDerWaalsContact CG-CD1 3.4Å; H76-Y86 AromaticContact ND1-CD1 3.81Å; H76-Y86 AromaticContact NE2-CD1 3.61Å; H76-Y86 AromaticContact NE2-CE1 3.38Å; H76-Y86 WeakPolarHBondContact NE2-CE1 3.47Å; Y86-L89 HydrophobicContact CD2-CD2 3.95Å; Y86-L89 HydrophobicContact CE2-CD2 3.9Å
87K71.9Confident83.6Confident19 Ų1933.3 Ų33.38%0.08318%0.18CC..  trans-96.9-86.8-172.7-68.6-176.3179.2119.90109S72 S85 R161 H293S72-K87 PolarHBondContact OG-N 2.93Å; S85-K87 PolarHBondContact O-N 3.44Å; K87-R161 WeakPolarHBondContact O-CA 3.41Å; K87-H293 VanDerWaalsContact CE-O 3.26Å; K87-H293 WeakPolarHBondContact CE-O 3.36Å; K87-H293 VanDerWaalsContact NZ-C 3.31Å; K87-H293 PolarHBondContact NZ-O 2.96Å
88D80.8Confident83.6Confident33 Ų3336.6 Ų36.618%0.17620%0.201CC..  trans-75.8135.6-177-58.4-44.6000110.8T73 D90 N162 E164T73-D88 PolarHBondContact OG1-O 2.97Å; D88-D90 PolarHBondContact O-N 3.14Å; D88-N162 WeakPolarHBondContact CA-O 3.45Å; D88-N162 WeakPolarHBondContact OD1-CB 3.49Å; D88-N162 PolarHBondContact OD1-N 2.81Å; D88-N162 PolarHBondContact OD1-ND2 2.81Å; D88-E164 HydrophobicContact CB-CG 4.21Å
89L89.9Confident83.6Confident0 Ų039.7 Ų39.70%022%0.221CC..EExtended strand (participates in β ladder)trans-9284.4177.6-63.3164.5000107V26 V31 L46 T73 Y86 F91 N162 V163 E164V26-L89 HydrophobicContact CG1-CD2 4.27Å; V31-L89 HydrophobicContact CB-CD1 4.47Å; V31-L89 HydrophobicContact CG1-CD1 4.03Å; V31-L89 HydrophobicContact CG2-CD1 3.77Å; L46-L89 HydrophobicContact CD1-CB 4.28Å; L46-L89 HydrophobicContact CD1-CD1 3.7Å; L46-L89 HydrophobicContact CD1-CD2 3.8Å; L46-L89 HydrophobicContact CD1-CG 4.14Å; L46-L89 HydrophobicContact CD2-CD1 3.92Å; L46-L89 HydrophobicContact CG-CD1 4.35Å; T73-L89 HydrophobicContact CG2-CD2 3.85Å; Y86-L89 HydrophobicContact CD2-CD2 3.95Å; Y86-L89 HydrophobicContact CE2-CD2 3.9Å; L89-F91 HydrophobicContact CB-CE2 4.04Å; L89-F91 VanDerWaalsContact O-CD2 3.32Å; L89-F91 WeakPolarHBondContact O-CD2 3.42Å; L89-N162 PolarHBondContact N-O 3.23Å; L89-V163 HydrophobicContact CD1-CG2 4.15Å; L89-E164 PolarHBondContact O-N 3.4Å
90D93Very high83.7Confident30 Ų3041.5 Ų41.516%0.1623%0.228CC..EExtended strand (participates in β ladder)trans-85.3111.2-171-63.5-49.7000111.9N70 D88 E164N70-D90 HydrophobicContact CB-CB 4.13Å; N70-D90 PolarHBondContact N-O 3.09Å; D88-D90 PolarHBondContact O-N 3.14Å; D90-E164 WeakPolarHBondContact OD1-CB 3.39Å
91F96.9Very high84.4Confident1 Ų138.7 Ų38.70%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-108.1129.2173.4-63-82.7000110.7L27 L46 V50 R68 L69 L89 F93 V163 E164 L165 K166 L186L27-F91 HydrophobicContact CD2-CE1 3.95Å; L27-F91 HydrophobicContact CD2-CZ 4.27Å; L46-F91 HydrophobicContact CB-CE2 4.36Å; L46-F91 HydrophobicContact CB-CZ 3.86Å; L46-F91 HydrophobicContact CD1-CE2 4.16Å; L46-F91 HydrophobicContact CD1-CZ 3.83Å; L46-F91 HydrophobicContact CD2-CE2 4.1Å; L46-F91 HydrophobicContact CD2-CZ 4.4Å; L46-F91 HydrophobicContact CG-CE2 4.44Å; L46-F91 HydrophobicContact CG-CZ 4.25Å; V50-F91 HydrophobicContact CG2-CD1 3.57Å; V50-F91 HydrophobicContact CG2-CD2 4.17Å; V50-F91 HydrophobicContact CG2-CE1 3.71Å; V50-F91 HydrophobicContact CG2-CE2 4.3Å; V50-F91 HydrophobicContact CG2-CG 3.82Å; V50-F91 HydrophobicContact CG2-CZ 4.09Å; R68-F91 CarbonylContact O-C 3.6Å; R68-F91 WeakPolarHBondContact O-CA 3.47Å; L69-F91 HydrophobicContact CD1-CD1 4.2Å; L69-F91 HydrophobicContact CD1-CE1 3.74Å; L69-F91 HydrophobicContact CD1-CZ 3.98Å; L89-F91 HydrophobicContact CB-CE2 4.04Å; L89-F91 VanDerWaalsContact O-CD2 3.32Å; L89-F91 WeakPolarHBondContact O-CD2 3.42Å; F91-F93 HydrophobicContact CB-CE2 3.92Å; F91-V163 HydrophobicContact CD2-CG1 4.39Å; F91-V163 HydrophobicContact CE2-CG1 4.41Å; F91-E164 PolarHBondContact N-O 3.05Å; F91-L165 HydrophobicContact CB-CD2 4.27Å; F91-L165 HydrophobicContact CD2-CD2 4.24Å; F91-K166 WeakPolarHBondContact O-CA 3.44Å; F91-K166 WeakPolarHBondContact O-CB 3.48Å; F91-K166 PolarHBondContact O-N 3.05Å; F91-L186 HydrophobicContact CD1-CD1 3.77Å; F91-L186 HydrophobicContact CE1-CD1 3.75Å
92I98Very high85.7Confident11 Ų1135.1 Ų35.16%0.05620%0.203CC..EExtended strand (participates in β ladder)trans-106.1116.7173-63.2176.8000108.7I67 R68 N70 R94 K166 V168I67-I92 CarbonylContact C-O 3.55Å; I67-I92 WeakPolarHBondContact CA-O 3.49Å; R68-I92 HydrophobicContact CB-CB 4.28Å; R68-I92 PolarHBondContact N-O 3.43Å; R68-I92 PolarHBondContact O-N 3Å; N70-I92 HydrophobicContact CB-CD1 3.73Å; N70-I92 HydrophobicContact CB-CG1 4.08Å; N70-I92 WeakPolarHBondContact ND2-CD1 3.33Å; I92-R94 HydrophobicContact CG2-CG 4.15Å; I92-K166 CarbonylContact C-O 3.51Å; I92-K166 VanDerWaalsContact CA-O 3.32Å; I92-K166 WeakPolarHBondContact CA-O 3.38Å; I92-K166 HydrophobicContact CG1-CB 4.36Å; I92-K166 HydrophobicContact CG1-CD 4.35Å; I92-V168 HydrophobicContact CG2-CB 4.12Å; I92-V168 HydrophobicContact CG2-CG2 3.79Å
93F98.4Very high87.2Confident0 Ų035.1 Ų35.10%020%0.203CC..EExtended strand (participates in β ladder)trans-94.5113.3167-62.5-100.2000107.6V50 V53 V64 I67 F91 V95 L165 K166 F167 V168V50-F93 HydrophobicContact CB-CZ 4.44Å; V50-F93 HydrophobicContact CG1-CE1 4.24Å; V50-F93 HydrophobicContact CG1-CZ 4.13Å; V50-F93 HydrophobicContact CG2-CZ 4.33Å; V53-F93 HydrophobicContact CB-CE1 3.93Å; V53-F93 HydrophobicContact CB-CZ 3.93Å; V53-F93 HydrophobicContact CG1-CD1 4.08Å; V53-F93 HydrophobicContact CG1-CE1 3.55Å; V53-F93 HydrophobicContact CG1-CE2 4.26Å; V53-F93 HydrophobicContact CG1-CZ 3.66Å; V64-F93 HydrophobicContact CG1-CD1 4.48Å; I67-F93 HydrophobicContact CD1-CD1 3.92Å; I67-F93 HydrophobicContact CD1-CE1 3.7Å; I67-F93 HydrophobicContact CG1-CD1 3.81Å; I67-F93 HydrophobicContact CG1-CE1 4.05Å; I67-F93 HydrophobicContact CG2-CD1 4.32Å; I67-F93 HydrophobicContact CG2-CE1 4.18Å; I67-F93 HydrophobicContact CG2-CZ 4.4Å; F91-F93 HydrophobicContact CB-CE2 3.92Å; F93-V95 HydrophobicContact CB-CG1 4.08Å; F93-V95 PolarHBondContact O-N 3.26Å; F93-L165 HydrophobicContact CE2-CB 4.33Å; F93-L165 HydrophobicContact CE2-CD2 3.89Å; F93-L165 HydrophobicContact CZ-CD2 4.36Å; F93-K166 PolarHBondContact N-O 3.23Å; F93-F167 HydrophobicContact CB-CD1 3.69Å; F93-F167 HydrophobicContact CB-CE1 4.06Å; F93-F167 HydrophobicContact CD1-CE1 4.36Å; F93-F167 HydrophobicContact CD2-CD1 4.05Å; F93-F167 AromaticContact CD2-CE1 3.68Å; F93-F167 HydrophobicContact CD2-CE1 3.68Å; F93-F167 HydrophobicContact CD2-CZ 4.19Å; F93-F167 HydrophobicContact CE2-CE1 4.23Å; F93-F167 HydrophobicContact CE2-CZ 4.44Å; F93-F167 AromaticContact CG-CD1 3.94Å; F93-F167 HydrophobicContact CG-CD1 3.94Å; F93-F167 AromaticContact CG-CE1 3.77Å; F93-F167 HydrophobicContact CG-CE1 3.77Å; F93-F167 WeakPolarHBondContact O-CA 3.3Å; F93-V168 PolarHBondContact O-N 3.49Å
94R97.9Very high89Confident88 Ų8839.9 Ų39.933%0.33220%0.204SC..EExtended strand (participates in β ladder)trans-81.1108.1173.4-66.8-159.4-59.8-166.94.2108.9K65 D66 R68 I92 V168K65-R94 HydrophobicContact CB-CB 4.06Å; K65-R94 WeakPolarHBondContact CB-O 3.34Å; K65-R94 PolarHBondContact N-O 3.13Å; D66-R94 VanDerWaalsContact CG-NE 3.3Å; D66-R94 VanDerWaalsContact CG-NH2 3.25Å; D66-R94 PolarHBondContact O-N 3.45Å; D66-R94 WeakPolarHBondContact OD1-CB 3.28Å; D66-R94 WeakPolarHBondContact OD1-CD 3.37Å; D66-R94 VanDerWaalsContact OD1-CG 3.27Å; D66-R94 WeakPolarHBondContact OD1-CG 3.18Å; D66-R94 IonicContact OD1-CZ 2.69Å; D66-R94 IonicContact OD1-NE 3.95Å; D66-R94 PolarHBondContact OD1-NE 2.64Å; D66-R94 IonicContact OD1-NH2 2.79Å; D66-R94 PolarHBondContact OD1-NH2 2.83Å; D66-R94 IonicContact OD2-CZ 3.64Å; D66-R94 IonicContact OD2-NE 3.8Å; D66-R94 PolarHBondContact OD2-NE 3Å; D66-R94 IonicContact OD2-NH2 3.19Å; D66-R94 PolarHBondContact OD2-NH2 2.94Å; R68-R94 VanDerWaalsContact CZ-CZ 3.46Å; R68-R94 VanDerWaalsContact NH2-CZ 3.29Å; R68-R94 VanDerWaalsContact NH2-NH2 3.17Å; I92-R94 HydrophobicContact CG2-CG 4.15Å; R94-V168 CarbonylContact C-O 3.6Å; R94-V168 WeakPolarHBondContact CA-O 3.31Å
95V97.8Very high90.6Very high0 Ų040.2 Ų40.20%021%0.208CC..EExtended strand (participates in β ladder)trans-129.5160-170.8-69.10000111.2L57 I62 R63 V64 F93 L97 F167 V168 D169L57-V95 HydrophobicContact CD1-CG1 4.24Å; I62-V95 HydrophobicContact CG2-CB 3.92Å; I62-V95 HydrophobicContact CG2-CG1 4.05Å; R63-V95 WeakPolarHBondContact O-CA 3.47Å; V64-V95 HydrophobicContact CB-CG1 4.46Å; V64-V95 HydrophobicContact CG1-CG1 4.5Å; V64-V95 HydrophobicContact CG2-CG1 4Å; F93-V95 HydrophobicContact CB-CG1 4.08Å; F93-V95 PolarHBondContact O-N 3.26Å; V95-L97 HydrophobicContact CG2-CD1 3.99Å; V95-L97 HydrophobicContact CG2-CD2 3.99Å; V95-L97 HydrophobicContact CG2-CG 3.79Å; V95-F167 HydrophobicContact CG2-CB 3.86Å; V95-V168 PolarHBondContact N-O 3.48Å; V95-D169 WeakPolarHBondContact O-CA 3.24Å; V95-D169 WeakPolarHBondContact O-CB 3.31Å
96D94.6Very high92.3Very high54 Ų5437.4 Ų37.429%0.28919%0.189SC..  trans-89119.7171.7-65.4-38.5000109.9R63 K65 P98R63-D96 PolarHBondContact O-N 2.93Å; K65-D96 WeakPolarHBondContact CE-OD1 3.44Å; K65-D96 IonicContact NZ-OD1 3.36Å; K65-D96 PolarHBondContact NZ-OD1 3.22Å; D96-P98 WeakPolarHBondContact O-CD 3.44Å
97L95Very high93.7Very high1 Ų139.4 Ų39.41%0.00520%0.198CC..  trans-122.466.1-179.1-60.6173.5000111.2V95 T99 E102 F103 V106 D169V95-L97 HydrophobicContact CG2-CD1 3.99Å; V95-L97 HydrophobicContact CG2-CD2 3.99Å; V95-L97 HydrophobicContact CG2-CG 3.79Å; L97-T99 PolarHBondContact O-N 2.98Å; L97-E102 HydrophobicContact CD2-CB 3.89Å; L97-F103 HydrophobicContact CB-CD2 4.46Å; L97-F103 HydrophobicContact CB-CE2 3.87Å; L97-F103 HydrophobicContact CB-CZ 4.05Å; L97-F103 HydrophobicContact CD1-CD1 4.42Å; L97-F103 HydrophobicContact CD1-CE1 3.88Å; L97-F103 HydrophobicContact CD1-CE2 4.43Å; L97-F103 HydrophobicContact CD1-CZ 3.87Å; L97-V106 HydrophobicContact CD2-CG2 3.95Å; L97-D169 HydrophobicContact CB-CB 3.83Å; L97-D169 HydrophobicContact CD1-CB 4.25Å; L97-D169 HydrophobicContact CG-CB 4.11Å
98P92.6Very high94.8Very high69 Ų6942.4 Ų42.445%0.44822%0.215SC..  trans-67.9-36.6-173.527-34.3000113D96 E102 R149D96-P98 WeakPolarHBondContact O-CD 3.44Å; P98-E102 HydrophobicContact CG-CG 4.32Å; P98-R149 PolarHBondContact O-NH1 2.95Å
99T93.3Very high95.6Very high70 Ų7041.5 Ų41.543%0.42921%0.211SC..SBendtrans-133.1171.6-173.884.20000112.6L97 A101 E102 F103L97-T99 PolarHBondContact O-N 2.98Å; T99-A101 PolarHBondContact O-N 3.45Å; T99-A101 WeakPolarHBondContact OG1-CB 3.44Å; T99-A101 PolarHBondContact OG1-N 3Å; T99-E102 VanDerWaalsContact C-OE2 3.3Å; T99-E102 VanDerWaalsContact CA-OE2 3.25Å; T99-E102 WeakPolarHBondContact CA-OE2 3.25Å; T99-E102 VanDerWaalsContact CB-OE2 3.29Å; T99-E102 WeakPolarHBondContact CB-OE2 3.26Å; T99-E102 PolarHBondContact N-OE2 3.49Å; T99-E102 PolarHBondContact O-N 3.29Å; T99-E102 PolarHBondContact OG1-OE2 3.34Å; T99-F103 VanDerWaalsContact O-CD2 3.31Å; T99-F103 WeakPolarHBondContact O-CD2 3.38Å
100E93.8Very high95.9Very high63 Ų6341.6 Ų41.629%0.29421%0.212SC..Hα-helixtrans-63-22.7175-177.365.6-167.600112.9F103 R104 K142E100-F103 PolarHBondContact O-N 2.92Å; E100-R104 PolarHBondContact O-N 3.18Å; E100-K142 IonicContact OE1-NZ 2.71Å; E100-K142 PolarHBondContact OE1-NZ 3.12Å; E100-K142 IonicContact OE2-NZ 3.02Å; E100-K142 PolarHBondContact OE2-NZ 3.4Å
101A95.3Very high96Very high57 Ų5740.3 Ų40.347%0.47120%0.204SC..Hα-helixtrans-64.1-43.4179.500000111.2T99 F103 R104 L105T99-A101 PolarHBondContact O-N 3.45Å; T99-A101 WeakPolarHBondContact OG1-CB 3.44Å; T99-A101 PolarHBondContact OG1-N 3Å; A101-F103 VanDerWaalsContact C-N 3.34Å; A101-F103 PolarHBondContact O-N 3.46Å; A101-R104 PolarHBondContact O-N 3.49Å; A101-L105 WeakPolarHBondContact O-CB 3.27Å; A101-L105 PolarHBondContact O-N 3.48Å
102E96.3Very high95.9Very high47 Ų4741.8 Ų41.822%0.2222%0.22CC..Hα-helixtrans-67-35.5178.8-65.576.7-157.400111.5I62 L97 P98 T99 R104 L105 V106I62-E102 HydrophobicContact CD1-CB 4.14Å; I62-E102 HydrophobicContact CD1-CG 4.47Å; I62-E102 HydrophobicContact CG1-CB 4.48Å; I62-E102 HydrophobicContact CG1-CG 4.3Å; L97-E102 HydrophobicContact CD2-CB 3.89Å; P98-E102 HydrophobicContact CG-CG 4.32Å; T99-E102 VanDerWaalsContact C-OE2 3.3Å; T99-E102 VanDerWaalsContact CA-OE2 3.25Å; T99-E102 WeakPolarHBondContact CA-OE2 3.25Å; T99-E102 VanDerWaalsContact CB-OE2 3.29Å; T99-E102 WeakPolarHBondContact CB-OE2 3.26Å; T99-E102 PolarHBondContact N-OE2 3.49Å; T99-E102 PolarHBondContact O-N 3.29Å; T99-E102 PolarHBondContact OG1-OE2 3.34Å; E102-R104 VanDerWaalsContact C-N 3.31Å; E102-R104 PolarHBondContact O-N 3.32Å; E102-L105 PolarHBondContact O-N 3.06Å; E102-V106 VanDerWaalsContact O-CG2 3.3Å; E102-V106 WeakPolarHBondContact O-CG2 3.16Å; E102-V106 PolarHBondContact O-N 3.46Å
103F96.1Very high95.7Very high8 Ų841.4 Ų41.44%0.03522%0.218CC..Hα-helixtrans-60.6-39.7173.2-78.4-86.6000112.7L97 T99 E100 A101 K107 K142 N144L97-F103 HydrophobicContact CB-CD2 4.46Å; L97-F103 HydrophobicContact CB-CE2 3.87Å; L97-F103 HydrophobicContact CB-CZ 4.05Å; L97-F103 HydrophobicContact CD1-CD1 4.42Å; L97-F103 HydrophobicContact CD1-CE1 3.88Å; L97-F103 HydrophobicContact CD1-CE2 4.43Å; L97-F103 HydrophobicContact CD1-CZ 3.87Å; T99-F103 VanDerWaalsContact O-CD2 3.31Å; T99-F103 WeakPolarHBondContact O-CD2 3.38Å; E100-F103 PolarHBondContact O-N 2.92Å; A101-F103 VanDerWaalsContact C-N 3.34Å; A101-F103 PolarHBondContact O-N 3.46Å; F103-K107 PolarHBondContact O-N 2.73Å; F103-K142 HydrophobicContact CB-CD 4.18Å; F103-K142 HydrophobicContact CD1-CD 3.91Å; F103-K142 HydrophobicContact CD1-CG 3.63Å; F103-K142 HydrophobicContact CE1-CD 4.49Å; F103-K142 HydrophobicContact CE1-CG 3.86Å; F103-K142 HydrophobicContact CG-CD 4.05Å; F103-K142 HydrophobicContact CG-CG 4.27Å; F103-N144 HydrophobicContact CE2-CB 4.33Å; F103-N144 HydrophobicContact CZ-CB 4.24Å
104R95.8Very high95.5Very high157 Ų15741.4 Ų41.459%0.59222%0.218SC*.Hα-helixtrans-68.4-44.9175.9-67.5177-172.8177.62.3110.6E100 A101 E102 V106 K107 D108E100-R104 PolarHBondContact O-N 3.18Å; A101-R104 PolarHBondContact O-N 3.49Å; E102-R104 VanDerWaalsContact C-N 3.31Å; E102-R104 PolarHBondContact O-N 3.32Å; R104-V106 PolarHBondContact O-N 3.48Å; R104-K107 WeakPolarHBondContact O-CB 3.3Å; R104-K107 PolarHBondContact O-N 3.25Å; R104-K107 VanDerWaalsContact O-N 3.12Å; R104-D108 VanDerWaalsContact O-CG 3.24Å; R104-D108 PolarHBondContact O-N 3Å
105L96.5Very high95.3Very high52 Ų5239.1 Ų39.127%0.27221%0.213SC..Hα-helixtrans-60.7-43.6178.9-176.161.6000112.2S60 I62 A101 E102 K107 D108 V109S60-L105 WeakPolarHBondContact O-CD2 3.42Å; I62-L105 HydrophobicContact CD1-CB 4.03Å; I62-L105 HydrophobicContact CD1-CD2 3.6Å; I62-L105 HydrophobicContact CD1-CG 3.86Å; I62-L105 HydrophobicContact CG1-CD2 3.78Å; A101-L105 WeakPolarHBondContact O-CB 3.27Å; A101-L105 PolarHBondContact O-N 3.48Å; E102-L105 PolarHBondContact O-N 3.06Å; L105-K107 VanDerWaalsContact C-N 3.3Å; L105-K107 PolarHBondContact O-N 2.92Å; L105-D108 PolarHBondContact O-N 3.5Å; L105-V109 HydrophobicContact CD1-CG2 4.39Å; L105-V109 WeakPolarHBondContact O-CB 3.37Å; L105-V109 VanDerWaalsContact O-CG2 3.31Å; L105-V109 WeakPolarHBondContact O-CG2 3.24Å; L105-V109 PolarHBondContact O-N 3.41Å
106V97.1Very high95Very high0 Ų042.5 Ų42.50%023%0.231CC..Hα-helixtrans-54.9-47.6173166.20000111.1L57 I62 L97 E102 R104 V109 V110 F167L57-V106 HydrophobicContact CD2-CB 4.45Å; L57-V106 HydrophobicContact CD2-CG2 3.87Å; I62-V106 HydrophobicContact CD1-CG2 3.75Å; L97-V106 HydrophobicContact CD2-CG2 3.95Å; E102-V106 VanDerWaalsContact O-CG2 3.3Å; E102-V106 WeakPolarHBondContact O-CG2 3.16Å; E102-V106 PolarHBondContact O-N 3.46Å; R104-V106 PolarHBondContact O-N 3.48Å; V106-V109 PolarHBondContact O-N 3.47Å; V106-V110 WeakPolarHBondContact O-CG2 3.03Å; V106-V110 PolarHBondContact O-N 2.96Å; V106-V110 VanDerWaalsContact O-N 3.07Å; V106-F167 HydrophobicContact CG1-CB 4.14Å; V106-F167 HydrophobicContact CG1-CD1 3.77Å; V106-F167 HydrophobicContact CG1-CD2 3.33Å; V106-F167 HydrophobicContact CG1-CE1 4.01Å; V106-F167 HydrophobicContact CG1-CE2 3.57Å; V106-F167 HydrophobicContact CG1-CG 3.44Å; V106-F167 VanDerWaalsContact CG1-CG 3.44Å; V106-F167 HydrophobicContact CG1-CZ 3.91Å; V106-F167 HydrophobicContact CG2-CD1 4.49Å; V106-F167 HydrophobicContact CG2-CG 4.49Å
107K96.5Very high94.8Very high67 Ų6741.3 Ų41.329%0.29122%0.223SC..Hα-helixtrans-62.1-46.1178.4176-168164.2-156.80110.9F103 R104 L105 V109 V110 L111 L140F103-K107 PolarHBondContact O-N 2.73Å; R104-K107 WeakPolarHBondContact O-CB 3.3Å; R104-K107 PolarHBondContact O-N 3.25Å; R104-K107 VanDerWaalsContact O-N 3.12Å; L105-K107 VanDerWaalsContact C-N 3.3Å; L105-K107 PolarHBondContact O-N 2.92Å; K107-V109 VanDerWaalsContact C-N 3.35Å; K107-V110 PolarHBondContact O-N 3.43Å; K107-L111 HydrophobicContact CD-CD1 4.43Å; K107-L111 HydrophobicContact CG-CD1 3.85Å; K107-L111 HydrophobicContact CG-CG 4.42Å; K107-L111 WeakPolarHBondContact O-CB 3.26Å; K107-L111 VanDerWaalsContact O-CG 3.25Å; K107-L111 WeakPolarHBondContact O-CG 3.16Å; K107-L111 PolarHBondContact O-N 2.92Å; K107-L140 HydrophobicContact CD-CD1 4.4Å; K107-L140 HydrophobicContact CG-CD1 4.31Å
108D95.8Very high94.6Very high83 Ų8341.7 Ų41.744%0.44423%0.225SC..Hα-helixtrans-66.5-38.5-177.3-65.3-19.9000111.4R104 L105 L111 G112R104-D108 VanDerWaalsContact O-CG 3.24Å; R104-D108 PolarHBondContact O-N 3Å; L105-D108 PolarHBondContact O-N 3.5Å; D108-L111 PolarHBondContact O-N 3.4Å; D108-G112 PolarHBondContact O-N 3.37Å
109V96.8Very high94.5Very high14 Ų1441.2 Ų41.29%0.08522%0.222CC..Hα-helixtrans-59.9-51.8173164.20000111.3H56 L57 L105 V106 K107 L111 G112 I113H56-V109 HydrophobicContact CB-CG1 3.51Å; H56-V109 HydrophobicContact CB-CG2 4.42Å; L57-V109 HydrophobicContact CD2-CB 4.27Å; L57-V109 HydrophobicContact CD2-CG1 4.15Å; L57-V109 HydrophobicContact CD2-CG2 4.33Å; L57-V109 HydrophobicContact CG-CG1 4.18Å; L105-V109 HydrophobicContact CD1-CG2 4.39Å; L105-V109 WeakPolarHBondContact O-CB 3.37Å; L105-V109 VanDerWaalsContact O-CG2 3.31Å; L105-V109 WeakPolarHBondContact O-CG2 3.24Å; L105-V109 PolarHBondContact O-N 3.41Å; V106-V109 PolarHBondContact O-N 3.47Å; K107-V109 VanDerWaalsContact C-N 3.35Å; V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 PolarHBondContact O-N 2.92Å; V109-G112 PolarHBondContact O-N 3.19Å; V109-I113 HydrophobicContact CG1-CD1 3.82Å; V109-I113 WeakPolarHBondContact O-CG1 3.42Å; V109-I113 PolarHBondContact O-N 3.36Å
110V96.5Very high94Very high2 Ų247.7 Ų47.71%0.01225%0.247CC..Hα-helixtrans-63-42-178.9172.90000111.2V53 V106 K107 I113 L114 I153 L165 F167V53-V110 HydrophobicContact CG2-CG2 4.39Å; V106-V110 WeakPolarHBondContact O-CG2 3.03Å; V106-V110 PolarHBondContact O-N 2.96Å; V106-V110 VanDerWaalsContact O-N 3.07Å; K107-V110 PolarHBondContact O-N 3.43Å; V110-I113 PolarHBondContact O-N 2.95Å; V110-L114 WeakPolarHBondContact O-CG 3.33Å; V110-L114 PolarHBondContact O-N 3.14Å; V110-I153 HydrophobicContact CB-CD1 3.82Å; V110-I153 HydrophobicContact CG1-CD1 3.97Å; V110-I153 HydrophobicContact CG1-CG2 4.06Å; V110-I153 HydrophobicContact CG2-CD1 3.98Å; V110-L165 HydrophobicContact CG1-CD1 3.9Å; V110-L165 HydrophobicContact CG2-CD1 4.27Å; V110-F167 HydrophobicContact CG2-CE1 4.49Å; V110-F167 HydrophobicContact CG2-CE2 3.95Å; V110-F167 HydrophobicContact CG2-CZ 3.5Å
111L95.6Very high93.4Very high2 Ų248.8 Ų48.81%0.0128%0.276CS..Hα-helixtrans-66.5-37.4176.6-66.5174.3000112.1K107 D108 V109 I113 L114 L115 P129 L132 K133 V137K107-L111 HydrophobicContact CD-CD1 4.43Å; K107-L111 HydrophobicContact CG-CD1 3.85Å; K107-L111 HydrophobicContact CG-CG 4.42Å; K107-L111 WeakPolarHBondContact O-CB 3.26Å; K107-L111 VanDerWaalsContact O-CG 3.25Å; K107-L111 WeakPolarHBondContact O-CG 3.16Å; K107-L111 PolarHBondContact O-N 2.92Å; D108-L111 PolarHBondContact O-N 3.4Å; V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 PolarHBondContact O-N 2.92Å; L111-I113 VanDerWaalsContact C-N 3.34Å; L111-L114 HydrophobicContact CD2-CD1 4.18Å; L111-L114 PolarHBondContact O-N 2.94Å; L111-L115 PolarHBondContact O-N 2.66Å; L111-P129 HydrophobicContact CB-CB 4.33Å; L111-P129 HydrophobicContact CD1-CB 3.97Å; L111-L132 HydrophobicContact CD2-CB 4.26Å; L111-L132 VanDerWaalsContact O-CD1 3.24Å; L111-L132 WeakPolarHBondContact O-CD1 3.24Å; L111-K133 HydrophobicContact CD1-CB 4.29Å; L111-K133 HydrophobicContact CD2-CB 4Å; L111-V137 HydrophobicContact CD2-CG2 3.99Å
112G94.5Very high92.9Very high33 Ų3348.4 Ų48.434%0.3427%0.267SS..Hα-helixtrans-60.4-43.3173.400000112.1D108 V109 L114 L115 D116D108-G112 PolarHBondContact O-N 3.37Å; V109-G112 PolarHBondContact O-N 3.19Å; G112-L114 VanDerWaalsContact C-N 3.31Å; G112-L114 PolarHBondContact O-N 3.43Å; G112-L115 WeakPolarHBondContact O-CA 3.47Å; G112-L115 WeakPolarHBondContact O-CB 3.32Å; G112-L115 PolarHBondContact O-N 2.9Å; G112-D116 PolarHBondContact O-N 3.08Å
113I94.6Very high92.4Very high2 Ų250 Ų501%0.0128%0.277CS..Hα-helixtrans-63.6-36.1178-70.6163.8000112R52 V53 H56 V109 V110 L111 L115 D116 F117R52-I113 HydrophobicContact CB-CD1 4.25Å; R52-I113 HydrophobicContact CB-CG1 4.41Å; R52-I113 HydrophobicContact CB-CG2 4.26Å; V53-I113 HydrophobicContact CB-CD1 4.02Å; V53-I113 HydrophobicContact CG2-CD1 3.48Å; V53-I113 VanDerWaalsContact CG2-CD1 3.48Å; H56-I113 HydrophobicContact CB-CD1 4.19Å; V109-I113 HydrophobicContact CG1-CD1 3.82Å; V109-I113 WeakPolarHBondContact O-CG1 3.42Å; V109-I113 PolarHBondContact O-N 3.36Å; V110-I113 PolarHBondContact O-N 2.95Å; L111-I113 VanDerWaalsContact C-N 3.34Å; I113-L115 PolarHBondContact O-N 3.26Å; I113-D116 WeakPolarHBondContact O-CB 3.49Å; I113-D116 PolarHBondContact O-N 3.14Å; I113-D116 VanDerWaalsContact O-N 3.08Å; I113-F117 HydrophobicContact CG2-CD2 3.79Å; I113-F117 HydrophobicContact CG2-CE2 3.42Å; I113-F117 VanDerWaalsContact CG2-CE2 3.42Å; I113-F117 WeakPolarHBondContact O-CD2 3.35Å; I113-F117 PolarHBondContact O-N 2.77Å
114L93.9Very high92Very high1 Ų153.3 Ų53.31%0.00529%0.292CS..Hα-helixtrans-61.7-32.8173.6-65.4176.5000112.3L42 V110 L111 G112 D116 F117 L155L42-L114 HydrophobicContact CD1-CD2 3.96Å; V110-L114 WeakPolarHBondContact O-CG 3.33Å; V110-L114 PolarHBondContact O-N 3.14Å; L111-L114 HydrophobicContact CD2-CD1 4.18Å; L111-L114 PolarHBondContact O-N 2.94Å; G112-L114 VanDerWaalsContact C-N 3.31Å; G112-L114 PolarHBondContact O-N 3.43Å; L114-D116 VanDerWaalsContact C-N 3.28Å; L114-D116 PolarHBondContact O-N 3.31Å; L114-F117 PolarHBondContact O-N 3.08Å; L114-L155 HydrophobicContact CD1-CD2 4Å; L114-L155 HydrophobicContact CD2-CD1 3.98Å; L114-L155 HydrophobicContact CD2-CD2 4.13Å
115L92.6Very high91.4Very high40 Ų4054.6 Ų54.621%0.20930%0.304CS..Hα-helixtrans-65.8-33.7174.7-166.674000111.6L111 G112 I113 F117 L118 K124 I127 L132L111-L115 PolarHBondContact O-N 2.66Å; G112-L115 WeakPolarHBondContact O-CA 3.47Å; G112-L115 WeakPolarHBondContact O-CB 3.32Å; G112-L115 PolarHBondContact O-N 2.9Å; I113-L115 PolarHBondContact O-N 3.26Å; L115-F117 VanDerWaalsContact C-N 3.34Å; L115-L118 HydrophobicContact CD1-CD1 3.68Å; L115-L118 HydrophobicContact CG-CD1 4.42Å; L115-L118 PolarHBondContact O-N 3.5Å; L115-K124 HydrophobicContact CD1-CB 4.16Å; L115-K124 HydrophobicContact CD1-CG 4.4Å; L115-K124 HydrophobicContact CD2-CB 4.4Å; L115-K124 HydrophobicContact CG-CB 4.28Å; L115-K124 HydrophobicContact CG-CD 4.33Å; L115-K124 HydrophobicContact CG-CG 4.41Å; L115-K124 WeakPolarHBondContact O-CE 3.47Å; L115-K124 PolarHBondContact O-NZ 2.7Å; L115-I127 HydrophobicContact CD1-CB 3.77Å; L115-I127 HydrophobicContact CD1-CD1 4.32Å; L115-I127 HydrophobicContact CD1-CG2 3.69Å; L115-L132 HydrophobicContact CB-CD1 3.85Å; L115-L132 HydrophobicContact CD1-CD1 3.97Å; L115-L132 HydrophobicContact CG-CD1 4.49Å
116D91Very high90.8Very high71 Ų7160.1 Ų60.138%0.3833%0.326SS..Hα-helixtrans-71.1-31.2178.7-64.2-27.4000112.4G112 I113 L114 L118 K124G112-D116 PolarHBondContact O-N 3.08Å; I113-D116 WeakPolarHBondContact O-CB 3.49Å; I113-D116 PolarHBondContact O-N 3.14Å; I113-D116 VanDerWaalsContact O-N 3.08Å; L114-D116 VanDerWaalsContact C-N 3.28Å; L114-D116 PolarHBondContact O-N 3.31Å; D116-L118 VanDerWaalsContact C-N 3.3Å; D116-L118 PolarHBondContact O-N 3.13Å; D116-K124 PolarHBondContact O-NZ 2.83Å
117F91.6Very high90.4Very high29 Ų2961.5 Ų61.513%0.12733%0.333CS..THydrogen-bonded Turntrans-78.8-7.3177.1-75.2-64.6000114.6L42 V44 D48 I49 I113 L114 L115L42-F117 HydrophobicContact CB-CB 4.43Å; L42-F117 HydrophobicContact CD1-CB 4.21Å; V44-F117 HydrophobicContact CB-CE1 4.39Å; V44-F117 HydrophobicContact CG1-CB 4.15Å; V44-F117 HydrophobicContact CG1-CD1 3.69Å; V44-F117 HydrophobicContact CG1-CD2 4.03Å; V44-F117 HydrophobicContact CG1-CE1 4.01Å; V44-F117 HydrophobicContact CG1-CE2 4.32Å; V44-F117 HydrophobicContact CG1-CG 3.7Å; V44-F117 HydrophobicContact CG1-CZ 4.31Å; D48-F117 HydrophobicContact CB-CE1 4.45Å; D48-F117 HydrophobicContact CB-CZ 4.3Å; I49-F117 HydrophobicContact CB-CE2 4.08Å; I49-F117 HydrophobicContact CB-CZ 4.15Å; I49-F117 HydrophobicContact CG1-CE2 4.11Å; I113-F117 HydrophobicContact CG2-CD2 3.79Å; I113-F117 HydrophobicContact CG2-CE2 3.42Å; I113-F117 VanDerWaalsContact CG2-CE2 3.42Å; I113-F117 WeakPolarHBondContact O-CD2 3.35Å; I113-F117 PolarHBondContact O-N 2.77Å; L114-F117 PolarHBondContact O-N 3.08Å; L115-F117 VanDerWaalsContact C-N 3.34Å
118L91.2Very high90.2Very high8 Ų861.6 Ų61.64%0.04234%0.34CS..SBendtrans-62.6138.7175.4-73.8168.1000111.2P40 L42 L115 D116 V122 I127 L132 Y136P40-L118 HydrophobicContact CG-CD2 3.86Å; L42-L118 HydrophobicContact CD2-CD2 3.83Å; L42-L118 HydrophobicContact CD2-CG 4.36Å; L115-L118 HydrophobicContact CD1-CD1 3.68Å; L115-L118 HydrophobicContact CG-CD1 4.42Å; L115-L118 PolarHBondContact O-N 3.5Å; D116-L118 VanDerWaalsContact C-N 3.3Å; D116-L118 PolarHBondContact O-N 3.13Å; L118-V122 HydrophobicContact CB-CB 4.38Å; L118-V122 HydrophobicContact CD1-CG1 4.08Å; L118-I127 HydrophobicContact CD1-CD1 3.51Å; L118-L132 HydrophobicContact CD1-CD2 4.47Å; L118-Y136 HydrophobicContact CD2-CE2 4.38Å; L118-Y136 WeakPolarHBondContact CD2-OH 3.43Å
119P88.9Confident90Very high60 Ų6061.1 Ų61.139%0.3934%0.341SS..PPolyproline II helixtrans-64.1157.4-177.925.9-33.5000112.2P40 G121 V122P40-P119 HydrophobicContact CB-CG 4.04Å; P40-P119 HydrophobicContact CG-CG 3.98Å; P119-G121 PolarHBondContact O-N 2.93Å; P119-V122 HydrophobicContact CG-CG2 3.91Å; P119-V122 WeakPolarHBondContact O-CG2 3.48Å; P119-V122 PolarHBondContact O-N 3.47Å
120E84Confident89.8Confident205 Ų20564.7 Ų64.796%0.95836%0.358SS*.THydrogen-bonded Turntrans-57.7136.4175.2-63.6-174.1176.300110.8
121G80.4Confident89.6Confident87 Ų8766.8 Ų66.890%0.89737%0.371SS*.THydrogen-bonded Turntrans98.4-9.2-177.100000115.3P119P119-G121 PolarHBondContact O-N 2.93Å
122V86.1Confident89.6Confident48 Ų4866.8 Ų66.829%0.29137%0.371SS..  trans-79.1128.2171.1-178.70000110.3P40 L118 P119 K124 I127P40-V122 HydrophobicContact CG-CG2 4.42Å; L118-V122 HydrophobicContact CB-CB 4.38Å; L118-V122 HydrophobicContact CD1-CG1 4.08Å; P119-V122 HydrophobicContact CG-CG2 3.91Å; P119-V122 WeakPolarHBondContact O-CG2 3.48Å; P119-V122 PolarHBondContact O-N 3.47Å; V122-K124 PolarHBondContact O-N 2.77Å; V122-I127 HydrophobicContact CG1-CD1 3.57Å
123N84.6Confident89.6Confident80 Ų8068 Ų6843%0.42837%0.366SS..  trans-73.297.3174.6-174-31.8000110.3E125N123-E125 VanDerWaalsContact C-N 3.31Å; N123-E125 PolarHBondContact O-N 2.78Å; N123-E125 WeakPolarHBondContact OD1-CB 3.42Å; N123-E125 PolarHBondContact OD1-N 3.23Å; N123-E125 VanDerWaalsContact OD1-N 3.08Å
124K87.6Confident89.6Confident78 Ų7873.2 Ų73.234%0.33939%0.391SS..G310 helixtrans-68.5-25.4-178.6-59.9-173.1-178.3-158.60113.5L115 D116 V122 K126 I127L115-K124 HydrophobicContact CD1-CB 4.16Å; L115-K124 HydrophobicContact CD1-CG 4.4Å; L115-K124 HydrophobicContact CD2-CB 4.4Å; L115-K124 HydrophobicContact CG-CB 4.28Å; L115-K124 HydrophobicContact CG-CD 4.33Å; L115-K124 HydrophobicContact CG-CG 4.41Å; L115-K124 WeakPolarHBondContact O-CE 3.47Å; L115-K124 PolarHBondContact O-NZ 2.7Å; D116-K124 PolarHBondContact O-NZ 2.83Å; V122-K124 PolarHBondContact O-N 2.77Å; K124-K126 VanDerWaalsContact C-N 3.27Å; K124-K126 PolarHBondContact O-N 3.39Å; K124-I127 PolarHBondContact O-N 2.83Å
125E83Confident89.6Confident184 Ų18473.3 Ų73.386%0.8639%0.392SS*.G310 helixtrans-66.9-27-175.5-58.7-179.9169.200113.3N123N123-E125 VanDerWaalsContact C-N 3.31Å; N123-E125 PolarHBondContact O-N 2.78Å; N123-E125 WeakPolarHBondContact OD1-CB 3.42Å; N123-E125 PolarHBondContact OD1-N 3.23Å; N123-E125 VanDerWaalsContact OD1-N 3.08Å
126K83.6Confident89.7Confident169 Ų16971.4 Ų71.474%0.73538%0.382SS*.G310 helixtrans-89.5-6.6179.7-65.1-174.5180-179.20113.4K124K124-K126 VanDerWaalsContact C-N 3.27Å; K124-K126 PolarHBondContact O-N 3.39Å
127I89.8Confident90Very high29 Ų2968.6 Ų68.615%0.14937%0.367CS..  trans-94117.4-172.6-63176.2000109.1L115 L118 V122 K124 L132L115-I127 HydrophobicContact CD1-CB 3.77Å; L115-I127 HydrophobicContact CD1-CD1 4.32Å; L115-I127 HydrophobicContact CD1-CG2 3.69Å; L118-I127 HydrophobicContact CD1-CD1 3.51Å; V122-I127 HydrophobicContact CG1-CD1 3.57Å; K124-I127 PolarHBondContact O-N 2.83Å; I127-L132 HydrophobicContact CG2-CD1 4.01Å; I127-L132 HydrophobicContact CG2-CD2 3.72Å; I127-L132 HydrophobicContact CG2-CG 3.56Å
128T91.8Very high90Very high69 Ų6971.3 Ų71.342%0.42338%0.38SS..  trans-90.4156.5176.8760000111.2M130 T131 L132T128-M130 PolarHBondContact O-N 2.79Å; T128-T131 WeakPolarHBondContact O-CB 3.31Å; T128-T131 PolarHBondContact O-N 3.49Å; T128-T131 PolarHBondContact OG1-N 2.79Å; T128-T131 PolarHBondContact OG1-OG1 2.8Å; T128-L132 PolarHBondContact O-N 2.84Å; T128-L132 VanDerWaalsContact O-N 3.12Å
129P92.1Very high90.1Very high73 Ų7376 Ų7647%0.47440%0.4SS..Hα-helixtrans-56.4-34.4173.1-26.534.8000113.2L111 T131 L132 K133L111-P129 HydrophobicContact CB-CB 4.33Å; L111-P129 HydrophobicContact CD1-CB 3.97Å; P129-T131 VanDerWaalsContact C-N 3.35Å; P129-L132 PolarHBondContact O-N 3.22Å; P129-K133 WeakPolarHBondContact O-CB 3.42Å; P129-K133 PolarHBondContact O-N 3.42Å
130M92.6Very high90.4Very high89 Ų8976.9 Ų76.944%0.43840%0.401SS..Hα-helixtrans-65.5-40.1177.2-171.566.8175.600111.5T128 K133 E134T128-M130 PolarHBondContact O-N 2.79Å; M130-K133 WeakPolarHBondContact O-CB 3.5Å; M130-K133 PolarHBondContact O-N 3.09Å; M130-K133 HydrophobicContact SD-CD 4.2Å; M130-K133 PolarHBondContact SD-NZ 2.84Å; M130-E134 WeakPolarHBondContact CE-OE1 3.38Å; M130-E134 PolarHBondContact O-N 3.39Å
131T92.9Very high91Very high45 Ų4569.1 Ų69.128%0.27637%0.368SS..Hα-helixtrans-63-44.4175.8-47.60000111.3F39 T128 P129 K133 E134 A135F39-T131 HydrophobicContact CE1-CG2 4.18Å; F39-T131 HydrophobicContact CE2-CG2 3.92Å; F39-T131 HydrophobicContact CZ-CG2 3.32Å; T128-T131 WeakPolarHBondContact O-CB 3.31Å; T128-T131 PolarHBondContact O-N 3.49Å; T128-T131 PolarHBondContact OG1-N 2.79Å; T128-T131 PolarHBondContact OG1-OG1 2.8Å; P129-T131 VanDerWaalsContact C-N 3.35Å; T131-K133 VanDerWaalsContact C-N 3.32Å; T131-K133 PolarHBondContact O-N 2.96Å; T131-E134 PolarHBondContact O-N 3.27Å; T131-A135 VanDerWaalsContact O-CB 3.32Å; T131-A135 WeakPolarHBondContact O-CB 3.1Å; T131-A135 PolarHBondContact O-N 3.45Å
132L94.1Very high91.8Very high3 Ų369.7 Ų69.72%0.01635%0.346CS..Hα-helixtrans-62.4-39.7175.5-70171.1000112.1L111 L115 L118 I127 T128 P129 E134 A135 Y136L111-L132 HydrophobicContact CD2-CB 4.26Å; L111-L132 VanDerWaalsContact O-CD1 3.24Å; L111-L132 WeakPolarHBondContact O-CD1 3.24Å; L115-L132 HydrophobicContact CB-CD1 3.85Å; L115-L132 HydrophobicContact CD1-CD1 3.97Å; L115-L132 HydrophobicContact CG-CD1 4.49Å; L118-L132 HydrophobicContact CD1-CD2 4.47Å; I127-L132 HydrophobicContact CG2-CD1 4.01Å; I127-L132 HydrophobicContact CG2-CD2 3.72Å; I127-L132 HydrophobicContact CG2-CG 3.56Å; T128-L132 PolarHBondContact O-N 2.84Å; T128-L132 VanDerWaalsContact O-N 3.12Å; P129-L132 PolarHBondContact O-N 3.22Å; L132-E134 PolarHBondContact O-N 2.85Å; L132-A135 PolarHBondContact O-N 3.19Å; L132-Y136 HydrophobicContact CD2-CD2 3.87Å; L132-Y136 HydrophobicContact CD2-CE2 3.77Å; L132-Y136 PolarHBondContact O-N 2.96Å
133K95.1Very high92.2Very high57 Ų5769 Ų6925%0.24834%0.341CS..Hα-helixtrans-58.7-47.9175.1-169.5-153.977.8-178.90111L111 P129 M130 T131 A135 V137L111-K133 HydrophobicContact CD1-CB 4.29Å; L111-K133 HydrophobicContact CD2-CB 4Å; P129-K133 WeakPolarHBondContact O-CB 3.42Å; P129-K133 PolarHBondContact O-N 3.42Å; M130-K133 WeakPolarHBondContact O-CB 3.5Å; M130-K133 PolarHBondContact O-N 3.09Å; M130-K133 HydrophobicContact SD-CD 4.2Å; M130-K133 PolarHBondContact SD-NZ 2.84Å; T131-K133 VanDerWaalsContact C-N 3.32Å; T131-K133 PolarHBondContact O-N 2.96Å; K133-A135 VanDerWaalsContact C-N 3.33Å; K133-V137 HydrophobicContact CG-CB 4.24Å; K133-V137 HydrophobicContact CG-CG2 4.3Å; K133-V137 VanDerWaalsContact O-CB 3.27Å; K133-V137 WeakPolarHBondContact O-CB 3.42Å; K133-V137 PolarHBondContact O-N 3.25Å; K133-V137 VanDerWaalsContact O-N 3.15Å
134E94.3Very high92.7Very high113 Ų11368.6 Ų68.653%0.52834%0.339SS..Hα-helixtrans-69.6-31.4-179.9-70.8176.6177.500113R36 M130 T131 L132R36-E134 WeakPolarHBondContact CD-O 3.4Å; M130-E134 WeakPolarHBondContact CE-OE1 3.38Å; M130-E134 PolarHBondContact O-N 3.39Å; T131-E134 PolarHBondContact O-N 3.27Å; L132-E134 PolarHBondContact O-N 2.85Å
135A94.5Very high93Very high2 Ų268.2 Ų68.22%0.01734%0.343CS..Hα-helixtrans-76.7-46.8-179.100000113.2R36 F39 T131 L132 K133R36-A135 WeakPolarHBondContact CG-O 3.25Å; R36-A135 PolarHBondContact N-O 3.38Å; F39-A135 HydrophobicContact CB-CB 4.02Å; F39-A135 HydrophobicContact CD1-CB 3.82Å; F39-A135 HydrophobicContact CD2-CB 3.67Å; F39-A135 HydrophobicContact CE1-CB 4.26Å; F39-A135 HydrophobicContact CE2-CB 4.14Å; F39-A135 HydrophobicContact CG-CB 3.52Å; F39-A135 HydrophobicContact CZ-CB 4.44Å; T131-A135 VanDerWaalsContact O-CB 3.32Å; T131-A135 WeakPolarHBondContact O-CB 3.1Å; T131-A135 PolarHBondContact O-N 3.45Å; L132-A135 PolarHBondContact O-N 3.19Å; K133-A135 VanDerWaalsContact C-N 3.33Å
136Y95.6Very high93.2Very high0 Ų068.7 Ų68.70%035%0.346CS..Hα-helixtrans-117.2-20.9-165.1-65-70.1000114.7V33 F39 P40 L42 L118 L132 L155 S156V33-Y136 HydrophobicContact CG1-CD1 4Å; F39-Y136 HydrophobicContact CB-CE1 4.5Å; F39-Y136 HydrophobicContact CB-CE2 4.38Å; F39-Y136 AromaticContact CD1-CE2 3.85Å; F39-Y136 HydrophobicContact CD1-CE2 3.85Å; F39-Y136 HydrophobicContact CG-CE2 4.43Å; P40-Y136 WeakPolarHBondContact CD-OH 3.47Å; P40-Y136 WeakPolarHBondContact O-CE1 3.3Å; P40-Y136 PolarHBondContact O-OH 3.4Å; L42-Y136 HydrophobicContact CD1-CD1 4.02Å; L42-Y136 HydrophobicContact CD1-CD2 4.48Å; L42-Y136 HydrophobicContact CD1-CE1 3.85Å; L42-Y136 HydrophobicContact CD1-CE2 4.34Å; L42-Y136 HydrophobicContact CD1-CG 4.32Å; L42-Y136 HydrophobicContact CD2-CE1 4.11Å; L42-Y136 HydrophobicContact CG-CD1 4.21Å; L42-Y136 HydrophobicContact CG-CE1 3.63Å; L118-Y136 HydrophobicContact CD2-CE2 4.38Å; L118-Y136 WeakPolarHBondContact CD2-OH 3.43Å; L132-Y136 HydrophobicContact CD2-CD2 3.87Å; L132-Y136 HydrophobicContact CD2-CE2 3.77Å; L132-Y136 PolarHBondContact O-N 2.96Å; Y136-L155 WeakPolarHBondContact O-CA 3.34Å; Y136-S156 PolarHBondContact O-N 2.97Å
137V95.9Very high93.6Very high12 Ų1265.8 Ų65.87%0.07334%0.335CS..EExtended strand (participates in β ladder)trans-89.5114.8-178.2-177.90000109.6L111 K133 L140 I153 L155L111-V137 HydrophobicContact CD2-CG2 3.99Å; K133-V137 HydrophobicContact CG-CB 4.24Å; K133-V137 HydrophobicContact CG-CG2 4.3Å; K133-V137 VanDerWaalsContact O-CB 3.27Å; K133-V137 WeakPolarHBondContact O-CB 3.42Å; K133-V137 PolarHBondContact O-N 3.25Å; K133-V137 VanDerWaalsContact O-N 3.15Å; V137-L140 HydrophobicContact CG1-CB 4.18Å; V137-L140 HydrophobicContact CG1-CD1 4.48Å; V137-I153 HydrophobicContact CG1-CG2 3.98Å; V137-I153 HydrophobicContact CG2-CG2 4.02Å; V137-L155 HydrophobicContact CG2-CD2 4.29Å
138Q92.4Very high93.8Very high86 Ų8665.9 Ų65.940%0.40234%0.335SS..EExtended strand (participates in β ladder)trans-79-40.3176.7-179.4171.8-1.500111.7S154 N162Q138-S154 PolarHBondContact N-O 3.49Å; Q138-N162 PolarHBondContact OE1-OD1 3.12Å
139K93.1Very high94Very high107 Ų10766.1 Ų66.147%0.46533%0.329SS..EExtended strand (participates in β ladder)trans-146.7135.1-176-178.8-172.6175.9-166.80110.3V141 L152 S154K139-V141 HydrophobicContact CD-CG2 4.41Å; K139-V141 HydrophobicContact CG-CG2 4.05Å; K139-L152 HydrophobicContact CD-CD2 4.41Å; K139-L152 HydrophobicContact CG-CD2 4.5Å; K139-S154 PolarHBondContact N-O 3.48Å; K139-S154 PolarHBondContact O-N 3.06Å
140L95.4Very high94.2Very high78 Ų7864.7 Ų64.741%0.40831%0.314SS..EExtended strand (participates in β ladder)trans-130.7125.7176.4-170132000108.8K107 V137 L152 I153K107-L140 HydrophobicContact CD-CD1 4.4Å; K107-L140 HydrophobicContact CG-CD1 4.31Å; V137-L140 HydrophobicContact CG1-CB 4.18Å; V137-L140 HydrophobicContact CG1-CD1 4.48Å; L140-L152 WeakPolarHBondContact CA-O 3.18Å; L140-I153 HydrophobicContact CD1-CD1 4.43Å; L140-I153 HydrophobicContact CD1-CG1 4.08Å
141V96.2Very high94.5Very high42 Ų4260.8 Ų60.826%0.25530%0.295SS..EExtended strand (participates in β ladder)trans-130.1134.8-178.6-175.10000108.9K139 V143 W150 S151 L152K139-V141 HydrophobicContact CD-CG2 4.41Å; K139-V141 HydrophobicContact CG-CG2 4.05Å; V141-V143 HydrophobicContact CG1-CG2 4.05Å; V141-W150 HydrophobicContact CB-CZ3 4.38Å; V141-W150 HydrophobicContact CG1-CH2 4.02Å; V141-W150 HydrophobicContact CG1-CZ3 4.13Å; V141-S151 CarbonylContact O-C 3.41Å; V141-S151 WeakPolarHBondContact O-CA 3.28Å; V141-S151 PolarHBondContact O-OG 3.26Å; V141-L152 HydrophobicContact CB-CB 4.25Å; V141-L152 HydrophobicContact CG2-CD2 4.43Å; V141-L152 PolarHBondContact N-O 3.38Å; V141-L152 PolarHBondContact O-N 3.38Å
142K96.3Very high94.7Very high100 Ų10059.2 Ų59.244%0.43529%0.285SS..EExtended strand (participates in β ladder)trans-124126.2171-176.4-17768163.80108.8E100 F103E100-K142 IonicContact OE1-NZ 2.71Å; E100-K142 PolarHBondContact OE1-NZ 3.12Å; E100-K142 IonicContact OE2-NZ 3.02Å; E100-K142 PolarHBondContact OE2-NZ 3.4Å; F103-K142 HydrophobicContact CB-CD 4.18Å; F103-K142 HydrophobicContact CD1-CD 3.91Å; F103-K142 HydrophobicContact CD1-CG 3.63Å; F103-K142 HydrophobicContact CE1-CD 4.49Å; F103-K142 HydrophobicContact CE1-CG 3.86Å; F103-K142 HydrophobicContact CG-CD 4.05Å; F103-K142 HydrophobicContact CG-CG 4.27Å
143V95.9Very high94.9Very high33 Ų3359.1 Ų59.120%0.229%0.285CS..EExtended strand (participates in β ladder)trans-122.6119.5172.7-175.70000108V141 T145 D148 R149 W150V141-V143 HydrophobicContact CG1-CG2 4.05Å; V143-T145 HydrophobicContact CG1-CG2 4.16Å; V143-D148 HydrophobicContact CG1-CB 3.82Å; V143-R149 WeakPolarHBondContact O-CA 3.31Å; V143-W150 HydrophobicContact CB-CD2 4.19Å; V143-W150 HydrophobicContact CB-CG 4.36Å; V143-W150 HydrophobicContact CB-CZ2 4.2Å; V143-W150 HydrophobicContact CG2-CD2 4.16Å; V143-W150 HydrophobicContact CG2-CH2 3.96Å; V143-W150 HydrophobicContact CG2-CZ2 3.44Å; V143-W150 VanDerWaalsContact CG2-CZ2 3.44Å; V143-W150 PolarHBondContact N-O 3.18Å; V143-W150 PolarHBondContact O-N 3.2Å; V143-W150 VanDerWaalsContact O-O 3.12Å
144N94.8Very high94.9Very high71 Ų7156.5 Ų56.538%0.3827%0.273SS..EExtended strand (participates in β ladder)trans-136.391.8176.1-176.311000108.4F103 R149F103-N144 HydrophobicContact CE2-CB 4.33Å; F103-N144 HydrophobicContact CZ-CB 4.24Å; N144-R149 PolarHBondContact OD1-NE 3.27Å
145T93.1Very high94.9Very high70 Ų7051.1 Ų51.143%0.42925%0.248SC..SBendtrans-127.1176.7178.166.70000108.9V143 Q147 D148 R149V143-T145 HydrophobicContact CG1-CG2 4.16Å; T145-Q147 VanDerWaalsContact C-N 3.27Å; T145-Q147 PolarHBondContact O-N 3.39Å; T145-D148 PolarHBondContact N-O 3.42Å; T145-D148 WeakPolarHBondContact OG1-CA 3.45Å; T145-D148 WeakPolarHBondContact OG1-CB 3.36Å; T145-D148 PolarHBondContact OG1-N 3.45Å; T145-D148 PolarHBondContact OG1-O 3.48Å; T145-R149 WeakPolarHBondContact O-CG 3.43Å
146E88.8Confident94.7Very high194 Ų19451.4 Ų51.491%0.90725%0.25SC*.SBendtrans-64.5-30.9176.9-64.3-179.2176.500113.2
147Q89.9Confident94.3Very high108 Ų10851.7 Ų51.751%0.50525%0.252SS..SBendtrans-104.7-25.8-174.8-63.5-176-4.300113.6T145T145-Q147 VanDerWaalsContact C-N 3.27Å; T145-Q147 PolarHBondContact O-N 3.39Å
148D94.1Very high93.7Very high31 Ų3156.3 Ų56.317%0.16628%0.276CS..  trans-129.4118.5-176.8-65.4-61000109.9V143 T145 S170 I171 R172V143-D148 HydrophobicContact CG1-CB 3.82Å; T145-D148 PolarHBondContact N-O 3.42Å; T145-D148 WeakPolarHBondContact OG1-CA 3.45Å; T145-D148 WeakPolarHBondContact OG1-CB 3.36Å; T145-D148 PolarHBondContact OG1-N 3.45Å; T145-D148 PolarHBondContact OG1-O 3.48Å; D148-S170 WeakPolarHBondContact CA-O 3.42Å; D148-I171 WeakPolarHBondContact OD1-CA 3.2Å; D148-R172 PolarHBondContact OD1-N 2.59Å
149R96.6Very high93Very high75 Ų7557.3 Ų57.328%0.28328%0.284SS..EExtended strand (participates in β ladder)trans-130100.8174-66.9-178.2156.8-161.5-7.3110.2P98 V143 N144 T145 D169 S170P98-R149 PolarHBondContact O-NH1 2.95Å; V143-R149 WeakPolarHBondContact O-CA 3.31Å; N144-R149 PolarHBondContact OD1-NE 3.27Å; T145-R149 WeakPolarHBondContact O-CG 3.43Å; R149-D169 HydrophobicContact CB-CB 4.05Å; R149-D169 WeakPolarHBondContact O-CB 3.36Å; R149-D169 PolarHBondContact O-N 2.99Å; R149-S170 CarbonylContact C-O 3.53Å; R149-S170 WeakPolarHBondContact CB-OG 3.32Å; R149-S170 PolarHBondContact N-O 3.47Å; R149-S170 PolarHBondContact N-OG 3.3Å; R149-S170 PolarHBondContact O-N 2.86Å; R149-S170 VanDerWaalsContact O-N 3.09Å
150W97.4Very high92.2Very high43 Ų4352.6 Ų52.616%0.16327%0.265CS..EExtended strand (participates in β ladder)trans-160156.6-179.658.4-86.2000112.7V141 V143 L152 K166 F167 V168V141-W150 HydrophobicContact CB-CZ3 4.38Å; V141-W150 HydrophobicContact CG1-CH2 4.02Å; V141-W150 HydrophobicContact CG1-CZ3 4.13Å; V143-W150 HydrophobicContact CB-CD2 4.19Å; V143-W150 HydrophobicContact CB-CG 4.36Å; V143-W150 HydrophobicContact CB-CZ2 4.2Å; V143-W150 HydrophobicContact CG2-CD2 4.16Å; V143-W150 HydrophobicContact CG2-CH2 3.96Å; V143-W150 HydrophobicContact CG2-CZ2 3.44Å; V143-W150 VanDerWaalsContact CG2-CZ2 3.44Å; V143-W150 PolarHBondContact N-O 3.18Å; V143-W150 PolarHBondContact O-N 3.2Å; V143-W150 VanDerWaalsContact O-O 3.12Å; W150-L152 HydrophobicContact CE3-CB 4.19Å; W150-L152 HydrophobicContact CZ3-CB 3.77Å; W150-L152 HydrophobicContact CZ3-CD1 4.22Å; W150-K166 HydrophobicContact CE3-CG 4.27Å; W150-F167 CarbonylContact C-O 3.5Å; W150-F167 WeakPolarHBondContact CA-O 3.41Å; W150-F167 VanDerWaalsContact CB-O 3.25Å; W150-F167 WeakPolarHBondContact CB-O 3.35Å; W150-V168 HydrophobicContact CB-CB 4.45Å; W150-V168 HydrophobicContact CB-CG2 4.14Å
151S97.8Very high91.6Very high6 Ų652.6 Ų52.64%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-122.8150.4175.4-169.20000109.9V141 K166 F167V141-S151 CarbonylContact O-C 3.41Å; V141-S151 WeakPolarHBondContact O-CA 3.28Å; V141-S151 PolarHBondContact O-OG 3.26Å; S151-K166 CarbonylContact O-C 3.58Å; S151-K166 WeakPolarHBondContact O-CA 3.3Å; S151-F167 PolarHBondContact N-O 3.26Å; S151-F167 PolarHBondContact O-N 3.39Å
152L97.5Very high91.3Very high13 Ų1351.3 Ų51.37%0.06825%0.252CS..EExtended strand (participates in β ladder)trans-136.8132.1174.9177.7157.7000109.8K139 L140 V141 W150 L165K139-L152 HydrophobicContact CD-CD2 4.41Å; K139-L152 HydrophobicContact CG-CD2 4.5Å; L140-L152 WeakPolarHBondContact CA-O 3.18Å; V141-L152 HydrophobicContact CB-CB 4.25Å; V141-L152 HydrophobicContact CG2-CD2 4.43Å; V141-L152 PolarHBondContact N-O 3.38Å; V141-L152 PolarHBondContact O-N 3.38Å; W150-L152 HydrophobicContact CE3-CB 4.19Å; W150-L152 HydrophobicContact CZ3-CB 3.77Å; W150-L152 HydrophobicContact CZ3-CD1 4.22Å; L152-L165 WeakPolarHBondContact CA-O 3.4Å
153I97.6Very high91.2Very high1 Ų146.6 Ų46.61%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-125.6112.6173.9-55.1178.9000107.2V110 V137 L140 L155 L165 F167V110-I153 HydrophobicContact CB-CD1 3.82Å; V110-I153 HydrophobicContact CG1-CD1 3.97Å; V110-I153 HydrophobicContact CG1-CG2 4.06Å; V110-I153 HydrophobicContact CG2-CD1 3.98Å; V137-I153 HydrophobicContact CG1-CG2 3.98Å; V137-I153 HydrophobicContact CG2-CG2 4.02Å; L140-I153 HydrophobicContact CD1-CD1 4.43Å; L140-I153 HydrophobicContact CD1-CG1 4.08Å; I153-L155 HydrophobicContact CG2-CD2 4.22Å; I153-L165 PolarHBondContact N-O 2.99Å; I153-L165 PolarHBondContact O-N 3.32Å; I153-F167 HydrophobicContact CD1-CE2 4.28Å; I153-F167 HydrophobicContact CG1-CE2 4.46Å
154S95.6Very high91.2Very high2 Ų246.4 Ų46.41%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-103.7121.5178.4-178.10000109.1Q138 K139 V163 E164Q138-S154 PolarHBondContact N-O 3.49Å; K139-S154 PolarHBondContact N-O 3.48Å; K139-S154 PolarHBondContact O-N 3.06Å; S154-V163 WeakPolarHBondContact CA-O 3.25Å; S154-E164 PolarHBondContact OG-OE1 2.83Å
155L94.7Very high91.3Very high0 Ų043 Ų430%021%0.21CC..EExtended strand (participates in β ladder)trans-90.2137.2179.6-55.3-179.5000110.2V33 I49 L114 Y136 V137 I153 N157 N162 V163V33-L155 HydrophobicContact CG1-CB 3.88Å; V33-L155 HydrophobicContact CG1-CD1 4.49Å; V33-L155 HydrophobicContact CG2-CB 4.25Å; V33-L155 HydrophobicContact CG2-CD1 4.26Å; I49-L155 HydrophobicContact CD1-CD1 3.65Å; L114-L155 HydrophobicContact CD1-CD2 4Å; L114-L155 HydrophobicContact CD2-CD1 3.98Å; L114-L155 HydrophobicContact CD2-CD2 4.13Å; Y136-L155 WeakPolarHBondContact O-CA 3.34Å; V137-L155 HydrophobicContact CG2-CD2 4.29Å; I153-L155 HydrophobicContact CG2-CD2 4.22Å; L155-N157 PolarHBondContact O-N 2.81Å; L155-N162 WeakPolarHBondContact O-CB 3.38Å; L155-V163 HydrophobicContact CB-CB 4.24Å; L155-V163 HydrophobicContact CD1-CB 4.28Å; L155-V163 HydrophobicContact CD1-CG1 4.43Å; L155-V163 PolarHBondContact N-O 3.38Å; L155-V163 PolarHBondContact O-N 2.93Å
156S89.4Confident91.6Very high7 Ų741.7 Ų41.75%0.04920%0.198CC..PPolyproline II helixtrans-68.1124.7-172-164.90000112V33 H34 Y136V33-S156 CarbonylContact C-O 3.52Å; V33-S156 WeakPolarHBondContact CA-O 3.44Å; H34-S156 PolarHBondContact N-O 3.45Å; Y136-S156 PolarHBondContact O-N 2.97Å
157N87.9Confident92Very high7 Ų732.4 Ų32.44%0.03716%0.155CC..  trans-128.7113.8165.3-170.1-27.4000110.1V31 P32 L155 N159 G160 R161 N162V31-N157 WeakPolarHBondContact CG1-ND2 3.33Å; P32-N157 PolarHBondContact O-ND2 3.23Å; L155-N157 PolarHBondContact O-N 2.81Å; N157-N159 PolarHBondContact O-N 3.4Å; N157-N159 VanDerWaalsContact O-N 3.08Å; N157-N159 WeakPolarHBondContact OD1-CB 3.37Å; N157-N159 PolarHBondContact OD1-N 2.88Å; N157-G160 PolarHBondContact O-N 3.43Å; N157-R161 VanDerWaalsContact CB-C 3.45Å; N157-R161 WeakPolarHBondContact CB-O 3.25Å; N157-R161 PolarHBondContact ND2-O 3.4Å; N157-N162 PolarHBondContact N-OD1 2.92Å; N157-N162 PolarHBondContact O-OD1 2.84Å
158N83.3Confident92.4Very high108 Ų10827.8 Ų27.858%0.57813%0.134SC*.THydrogen-bonded Turntrans-66.6-13.9-176.2-63.5-9.6000113H34 G160H34-N158 PolarHBondContact CD2-ND2 3.4Å; H34-N158 PolarHBondContact ND1-N 2.69Å; N158-G160 VanDerWaalsContact C-N 3.31Å
159N78.1Confident92.5Very high108 Ų10828.7 Ų28.758%0.57814%0.139SC*.THydrogen-bonded Turntrans-87.92.7175.5-58.5-17.6000112.8N157N157-N159 PolarHBondContact O-N 3.4Å; N157-N159 VanDerWaalsContact O-N 3.08Å; N157-N159 WeakPolarHBondContact OD1-CB 3.37Å; N157-N159 PolarHBondContact OD1-N 2.88Å
160G75.8Confident92.4Very high7 Ų727 Ų277%0.07214%0.138CC..SBendtrans84.36.9179.500000115.5N157 N158N157-G160 PolarHBondContact O-N 3.43Å; N158-G160 VanDerWaalsContact C-N 3.31Å
161R83.4Confident92.3Very high79 Ų7926.3 Ų26.330%0.29814%0.138SC..  trans-102.165.8175.4-66.9-175.5179176.8-0.6112E29 K87 N157E29-R161 IonicContact OE1-CZ 2.91Å; E29-R161 IonicContact OE1-NH1 3.31Å; E29-R161 PolarHBondContact OE1-NH1 3.29Å; E29-R161 IonicContact OE2-NH1 2.71Å; K87-R161 WeakPolarHBondContact O-CA 3.41Å; N157-R161 VanDerWaalsContact CB-C 3.45Å; N157-R161 WeakPolarHBondContact CB-O 3.25Å; N157-R161 PolarHBondContact ND2-O 3.4Å
162N90Very high91.9Very high15 Ų1531.5 Ų31.58%0.0816%0.156CC..  trans-68.7143.3-176-50.6-55.3000109.7D88 L89 Q138 L155 N157D88-N162 WeakPolarHBondContact CA-O 3.45Å; D88-N162 WeakPolarHBondContact OD1-CB 3.49Å; D88-N162 PolarHBondContact OD1-N 2.81Å; D88-N162 PolarHBondContact OD1-ND2 2.81Å; L89-N162 PolarHBondContact N-O 3.23Å; Q138-N162 PolarHBondContact OE1-OD1 3.12Å; L155-N162 WeakPolarHBondContact O-CB 3.38Å; N157-N162 PolarHBondContact N-OD1 2.92Å; N157-N162 PolarHBondContact O-OD1 2.84Å
163V94.3Very high91.4Very high1 Ų134.8 Ų34.81%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-90.5110.3173-178.80000107.4V31 L46 L89 F91 S154 L155 L165V31-V163 HydrophobicContact CG1-CG2 4.11Å; L46-V163 HydrophobicContact CD2-CG1 4.39Å; L46-V163 HydrophobicContact CD2-CG2 3.97Å; L89-V163 HydrophobicContact CD1-CG2 4.15Å; F91-V163 HydrophobicContact CD2-CG1 4.39Å; F91-V163 HydrophobicContact CE2-CG1 4.41Å; S154-V163 WeakPolarHBondContact CA-O 3.25Å; L155-V163 HydrophobicContact CB-CB 4.24Å; L155-V163 HydrophobicContact CD1-CB 4.28Å; L155-V163 HydrophobicContact CD1-CG1 4.43Å; L155-V163 PolarHBondContact N-O 3.38Å; L155-V163 PolarHBondContact O-N 2.93Å; V163-L165 HydrophobicContact CG1-CD2 4.06Å; V163-L165 HydrophobicContact CG1-CG 4.44Å
164E95.6Very high90.9Very high28 Ų2838.3 Ų38.313%0.13118%0.184CC..EExtended strand (participates in β ladder)trans-102.5112.5-179.3-61.8-148.1150.500110.5D88 L89 D90 F91 S154D88-E164 HydrophobicContact CB-CG 4.21Å; L89-E164 PolarHBondContact O-N 3.4Å; D90-E164 WeakPolarHBondContact OD1-CB 3.39Å; F91-E164 PolarHBondContact N-O 3.05Å; S154-E164 PolarHBondContact OG-OE1 2.83Å
165L97.6Very high90.6Very high0 Ų038.9 Ų38.90%019%0.187CC..EExtended strand (participates in β ladder)trans-98.9107.4175.6-53.3175.8000108.5I49 V53 F91 F93 V110 L152 I153 V163 F167I49-L165 HydrophobicContact CD1-CD1 4.2Å; V53-L165 HydrophobicContact CG2-CD1 4.26Å; F91-L165 HydrophobicContact CB-CD2 4.27Å; F91-L165 HydrophobicContact CD2-CD2 4.24Å; F93-L165 HydrophobicContact CE2-CB 4.33Å; F93-L165 HydrophobicContact CE2-CD2 3.89Å; F93-L165 HydrophobicContact CZ-CD2 4.36Å; V110-L165 HydrophobicContact CG1-CD1 3.9Å; V110-L165 HydrophobicContact CG2-CD1 4.27Å; L152-L165 WeakPolarHBondContact CA-O 3.4Å; I153-L165 PolarHBondContact N-O 2.99Å; I153-L165 PolarHBondContact O-N 3.32Å; V163-L165 HydrophobicContact CG1-CD2 4.06Å; V163-L165 HydrophobicContact CG1-CG 4.44Å; L165-F167 HydrophobicContact CB-CE2 3.8Å; L165-F167 HydrophobicContact CB-CZ 3.88Å; L165-F167 WeakPolarHBondContact O-CE2 3.42Å
166K97.8Very high90.5Very high42 Ų4241.7 Ų41.718%0.18320%0.2CC..EExtended strand (participates in β ladder)trans-107.9123.5-178.8-165.1-179.7-178.1175.30110.4F91 I92 F93 W150 S151 V168F91-K166 WeakPolarHBondContact O-CA 3.44Å; F91-K166 WeakPolarHBondContact O-CB 3.48Å; F91-K166 PolarHBondContact O-N 3.05Å; I92-K166 CarbonylContact C-O 3.51Å; I92-K166 VanDerWaalsContact CA-O 3.32Å; I92-K166 WeakPolarHBondContact CA-O 3.38Å; I92-K166 HydrophobicContact CG1-CB 4.36Å; I92-K166 HydrophobicContact CG1-CD 4.35Å; F93-K166 PolarHBondContact N-O 3.23Å; W150-K166 HydrophobicContact CE3-CG 4.27Å; S151-K166 CarbonylContact O-C 3.58Å; S151-K166 WeakPolarHBondContact O-CA 3.3Å; K166-V168 HydrophobicContact CD-CG2 3.97Å; K166-V168 HydrophobicContact CG-CG2 3.76Å
167F98.4Very high90.7Very high0 Ų041.3 Ų41.30%020%0.197CC..EExtended strand (participates in β ladder)trans-107.9111.8-178.7-56.1-86.5000108.4V53 L57 F93 V95 V106 V110 W150 S151 I153 L165V53-F167 HydrophobicContact CG1-CE1 3.68Å; V53-F167 HydrophobicContact CG1-CZ 3.95Å; L57-F167 HydrophobicContact CD1-CD1 4Å; L57-F167 HydrophobicContact CD1-CE1 3.75Å; F93-F167 HydrophobicContact CB-CD1 3.69Å; F93-F167 HydrophobicContact CB-CE1 4.06Å; F93-F167 HydrophobicContact CD1-CE1 4.36Å; F93-F167 HydrophobicContact CD2-CD1 4.05Å; F93-F167 AromaticContact CD2-CE1 3.68Å; F93-F167 HydrophobicContact CD2-CE1 3.68Å; F93-F167 HydrophobicContact CD2-CZ 4.19Å; F93-F167 HydrophobicContact CE2-CE1 4.23Å; F93-F167 HydrophobicContact CE2-CZ 4.44Å; F93-F167 AromaticContact CG-CD1 3.94Å; F93-F167 HydrophobicContact CG-CD1 3.94Å; F93-F167 AromaticContact CG-CE1 3.77Å; F93-F167 HydrophobicContact CG-CE1 3.77Å; F93-F167 WeakPolarHBondContact O-CA 3.3Å; V95-F167 HydrophobicContact CG2-CB 3.86Å; V106-F167 HydrophobicContact CG1-CB 4.14Å; V106-F167 HydrophobicContact CG1-CD1 3.77Å; V106-F167 HydrophobicContact CG1-CD2 3.33Å; V106-F167 HydrophobicContact CG1-CE1 4.01Å; V106-F167 HydrophobicContact CG1-CE2 3.57Å; V106-F167 HydrophobicContact CG1-CG 3.44Å; V106-F167 VanDerWaalsContact CG1-CG 3.44Å; V106-F167 HydrophobicContact CG1-CZ 3.91Å; V106-F167 HydrophobicContact CG2-CD1 4.49Å; V106-F167 HydrophobicContact CG2-CG 4.49Å; V110-F167 HydrophobicContact CG2-CE1 4.49Å; V110-F167 HydrophobicContact CG2-CE2 3.95Å; V110-F167 HydrophobicContact CG2-CZ 3.5Å; W150-F167 CarbonylContact C-O 3.5Å; W150-F167 WeakPolarHBondContact CA-O 3.41Å; W150-F167 VanDerWaalsContact CB-O 3.25Å; W150-F167 WeakPolarHBondContact CB-O 3.35Å; S151-F167 PolarHBondContact N-O 3.26Å; S151-F167 PolarHBondContact O-N 3.39Å; I153-F167 HydrophobicContact CD1-CE2 4.28Å; I153-F167 HydrophobicContact CG1-CE2 4.46Å; L165-F167 HydrophobicContact CB-CE2 3.8Å; L165-F167 HydrophobicContact CB-CZ 3.88Å; L165-F167 WeakPolarHBondContact O-CE2 3.42Å
168V97.8Very high91Very high11 Ų1141 Ų417%0.06720%0.195CC..EExtended strand (participates in β ladder)trans-120119.6-167.3-179.20000110.3I92 F93 R94 V95 W150 K166 I171I92-V168 HydrophobicContact CG2-CB 4.12Å; I92-V168 HydrophobicContact CG2-CG2 3.79Å; F93-V168 PolarHBondContact O-N 3.49Å; R94-V168 CarbonylContact C-O 3.6Å; R94-V168 WeakPolarHBondContact CA-O 3.31Å; V95-V168 PolarHBondContact N-O 3.48Å; W150-V168 HydrophobicContact CB-CB 4.45Å; W150-V168 HydrophobicContact CB-CG2 4.14Å; K166-V168 HydrophobicContact CD-CG2 3.97Å; K166-V168 HydrophobicContact CG-CG2 3.76Å; V168-I171 HydrophobicContact CG1-CB 3.96Å; V168-I171 HydrophobicContact CG1-CG2 3.47Å; V168-I171 VanDerWaalsContact CG1-CG2 3.47Å
169D96.8Very high91.4Very high50 Ų5036 Ų3627%0.26717%0.169SC..EExtended strand (participates in β ladder)trans-93.7-56.6165.2175.823.9000109.7V95 L97 R149V95-D169 WeakPolarHBondContact O-CA 3.24Å; V95-D169 WeakPolarHBondContact O-CB 3.31Å; L97-D169 HydrophobicContact CB-CB 3.83Å; L97-D169 HydrophobicContact CD1-CB 4.25Å; L97-D169 HydrophobicContact CG-CB 4.11Å; R149-D169 HydrophobicContact CB-CB 4.05Å; R149-D169 WeakPolarHBondContact O-CB 3.36Å; R149-D169 PolarHBondContact O-N 2.99Å
170S94.9Very high91.9Very high38 Ų3831.8 Ų31.827%0.26615%0.146SC..EExtended strand (participates in β ladder)trans-136.8138.9173.353.90000111.5D148 R149D148-S170 WeakPolarHBondContact CA-O 3.42Å; R149-S170 CarbonylContact C-O 3.53Å; R149-S170 WeakPolarHBondContact CB-OG 3.32Å; R149-S170 PolarHBondContact N-O 3.47Å; R149-S170 PolarHBondContact N-OG 3.3Å; R149-S170 PolarHBondContact O-N 2.86Å; R149-S170 VanDerWaalsContact O-N 3.09Å
171I93.6Very high92.7Very high29 Ų2931.4 Ų31.415%0.14914%0.143CC..  trans-148.7124.9174.4-173.2168.1000110D148 V168 Q174D148-I171 WeakPolarHBondContact OD1-CA 3.2Å; V168-I171 HydrophobicContact CG1-CB 3.96Å; V168-I171 HydrophobicContact CG1-CG2 3.47Å; V168-I171 VanDerWaalsContact CG1-CG2 3.47Å; I171-Q174 HydrophobicContact CG2-CG 3.63Å; I171-Q174 PolarHBondContact O-NE2 2.86Å
172R89.7Confident93.3Very high115 Ų11527.7 Ų27.743%0.43413%0.128SC..SBendtrans-75.1-46.8-178.3-179176.5172.6155.85.6111.7D148 R233 E236D148-R172 PolarHBondContact OD1-N 2.59Å; R172-R233 PolarHBondContact O-NH1 3.35Å; R172-E236 IonicContact NE-OE1 2.95Å; R172-E236 PolarHBondContact NE-OE1 2.6Å; R172-E236 IonicContact NH2-OE1 3.47Å
173R87.2Confident93.6Very high82 Ų8227.2 Ų27.231%0.30913%0.126SC..  trans-101.898.6-174.2-57.8-173.9-177.6122.98.6110.6E236 R238R173-E236 VanDerWaalsContact CD-O 3.25Å; R173-E236 WeakPolarHBondContact CD-O 3.37Å; R173-E236 HydrophobicContact CG-CB 4.11Å; R173-E236 PolarHBondContact NE-O 2.59Å; R173-R238 VanDerWaalsContact CZ-NE 3.35Å
174Q86.9Confident93.8Very high75 Ų7527.1 Ų27.135%0.3513%0.125SC..  trans-98.2-18.2-175.2-68.1-175.749.300113.8I171 V213I171-Q174 HydrophobicContact CG2-CG 3.63Å; I171-Q174 PolarHBondContact O-NE2 2.86Å; Q174-V213 HydrophobicContact CB-CB 4.1Å; Q174-V213 HydrophobicContact CB-CG1 4.33Å; Q174-V213 HydrophobicContact CB-CG2 3.88Å
175F90.8Very high93.9Very high15 Ų1527.1 Ų27.17%0.06613%0.127CC..  trans-150.5161.4178.575.2-92.6000111F177 V213 Y214 R233F175-F177 WeakPolarHBondContact CD2-O 3.47Å; F175-V213 HydrophobicContact CB-CG2 3.79Å; F175-V213 HydrophobicContact CD1-CB 4.27Å; F175-V213 HydrophobicContact CD1-CG2 3.74Å; F175-V213 VanDerWaalsContact CD1-O 3.24Å; F175-V213 WeakPolarHBondContact CD1-O 3.46Å; F175-V213 WeakPolarHBondContact CE1-O 3.38Å; F175-V213 HydrophobicContact CG-CG2 4.15Å; F175-Y214 HydrophobicContact CD2-CD2 4.41Å; F175-Y214 AromaticContact CE2-CD2 3.67Å; F175-Y214 HydrophobicContact CE2-CD2 3.67Å; F175-Y214 HydrophobicContact CE2-CE2 4.5Å; F175-Y214 AromaticContact CZ-CD2 3.8Å; F175-Y214 HydrophobicContact CZ-CD2 3.8Å; F175-Y214 HydrophobicContact CZ-CG 4.5Å; F175-R233 VanDerWaalsContact CE1-CZ 3.47Å; F175-R233 VanDerWaalsContact CE1-NE 3.27Å; F175-R233 HydrophobicContact CZ-CG 4.43Å
176E90.7Very high93.9Very high58 Ų5827.1 Ų27.127%0.27113%0.127SC..SBendtrans-109-44.8170.8-67.3176.8-169.500111.2D180 T231 K244E176-D180 PolarHBondContact N-OD2 3.36Å; E176-T231 WeakPolarHBondContact O-CB 3.04Å; E176-T231 PolarHBondContact O-OG1 3.03Å; E176-K244 HydrophobicContact CB-CD 4.25Å; E176-K244 WeakPolarHBondContact OE2-CD 3.48Å; E176-K244 IonicContact OE2-NZ 3.44Å
177F94.3Very high93.8Very high0 Ų026.7 Ų26.70%013%0.127CC..SBendtrans-125.7168.4175.2-56.8-77.3000111F175 V179 D180 I229 A230 I237 K244 Y245 L248 F261 M268F175-F177 WeakPolarHBondContact CD2-O 3.47Å; F177-V179 HydrophobicContact CB-CG2 4.13Å; F177-V179 PolarHBondContact O-N 3.34Å; F177-D180 VanDerWaalsContact CA-OD1 3.24Å; F177-D180 WeakPolarHBondContact CA-OD1 3.36Å; F177-D180 VanDerWaalsContact CB-OD1 3.31Å; F177-D180 WeakPolarHBondContact CB-OD1 3.16Å; F177-D180 PolarHBondContact N-OD1 3.36Å; F177-I229 HydrophobicContact CB-CG2 4.5Å; F177-I229 HydrophobicContact CD1-CG2 3.38Å; F177-I229 HydrophobicContact CE1-CG2 3.7Å; F177-I229 HydrophobicContact CG-CG2 3.97Å; F177-A230 CarbonylContact C-O 3.55Å; F177-A230 VanDerWaalsContact CA-O 3.31Å; F177-A230 WeakPolarHBondContact CA-O 3.41Å; F177-I237 HydrophobicContact CE1-CD1 4.2Å; F177-I237 HydrophobicContact CZ-CD1 4.28Å; F177-K244 HydrophobicContact CD2-CD 4.1Å; F177-K244 HydrophobicContact CD2-CG 4.3Å; F177-K244 HydrophobicContact CE2-CB 4.26Å; F177-K244 HydrophobicContact CE2-CD 4.23Å; F177-K244 HydrophobicContact CE2-CG 4.18Å; F177-Y245 HydrophobicContact CZ-CD2 4.4Å; F177-L248 HydrophobicContact CB-CD1 4.34Å; F177-L248 HydrophobicContact CD2-CD1 3.68Å; F177-L248 HydrophobicContact CE2-CD1 4.15Å; F177-L248 HydrophobicContact CG-CD1 3.96Å; F177-F261 HydrophobicContact CE1-CE1 4.38Å; F177-M268 HydrophobicContact CZ-SD 4.16Å
178S94.4Very high93.6Very high0 Ų028.6 Ų28.60%014%0.14CC..G310 helixtrans-65-31.9179.258.20000112.6D180 S181 H223 A230S178-D180 PolarHBondContact O-N 3.18Å; S178-S181 WeakPolarHBondContact O-CB 3.49Å; S178-S181 PolarHBondContact O-N 3.34Å; S178-S181 PolarHBondContact O-OG 2.97Å; S178-H223 WeakPolarHBondContact CB-ND1 3.47Å; S178-H223 WeakPolarHBondContact OG-CB 3.4Å; S178-H223 PolarHBondContact OG-ND1 3.22Å; S178-A230 PolarHBondContact N-O 3.17Å
179V91.7Very high93.5Very high2 Ų228.1 Ų28.11%0.01214%0.138CC..G310 helixtrans-72.1-16.2-173-61.50000113.9S75 F177 H223 L224 L228 L248 F253S75-V179 PolarHBondContact OG-O 3.01Å; F177-V179 HydrophobicContact CB-CG2 4.13Å; F177-V179 PolarHBondContact O-N 3.34Å; V179-H223 HydrophobicContact CG1-CB 4.46Å; V179-L224 HydrophobicContact CB-CD1 4.06Å; V179-L224 HydrophobicContact CG1-CD1 4.31Å; V179-L228 VanDerWaalsContact CG1-O 3.3Å; V179-L228 WeakPolarHBondContact CG1-O 3.49Å; V179-L248 HydrophobicContact CG2-CD1 4.08Å; V179-L248 HydrophobicContact CG2-CD2 3.82Å; V179-F253 HydrophobicContact CB-CE1 4.3Å; V179-F253 HydrophobicContact CG1-CD1 4.2Å; V179-F253 HydrophobicContact CG1-CE1 3.76Å
180D88.6Confident93.3Very high20 Ų2026.1 Ų26.111%0.10713%0.127CC..G310 helixtrans-11516.3176.863.2-66.4000112.6E176 F177 S178 K244E176-D180 PolarHBondContact N-OD2 3.36Å; F177-D180 VanDerWaalsContact CA-OD1 3.24Å; F177-D180 WeakPolarHBondContact CA-OD1 3.36Å; F177-D180 VanDerWaalsContact CB-OD1 3.31Å; F177-D180 WeakPolarHBondContact CB-OD1 3.16Å; F177-D180 PolarHBondContact N-OD1 3.36Å; S178-D180 PolarHBondContact O-N 3.18Å; D180-K244 IonicContact OD1-NZ 3.15Å; D180-K244 WeakPolarHBondContact OD2-CE 3.42Å; D180-K244 IonicContact OD2-NZ 3.21Å; D180-K244 PolarHBondContact OD2-NZ 3.32Å
181S93.3Very high93.1Very high0 Ų027 Ų270%013%0.133CC..  trans-93.64.1-174.6730000114.6S178 S212 V213 Y214S178-S181 WeakPolarHBondContact O-CB 3.49Å; S178-S181 PolarHBondContact O-N 3.34Å; S178-S181 PolarHBondContact O-OG 2.97Å; S181-S212 WeakPolarHBondContact O-CA 3.46Å; S181-S212 PolarHBondContact OG-OG 3.01Å; S181-V213 VanDerWaalsContact O-CG2 3.26Å; S181-V213 WeakPolarHBondContact O-CG2 3.39Å; S181-V213 PolarHBondContact O-N 3.08Å; S181-Y214 VanDerWaalsContact OG-CB 3.25Å; S181-Y214 WeakPolarHBondContact OG-CB 3.44Å
182F95.4Very high93Very high0 Ų026.6 Ų26.60%013%0.131CC..EExtended strand (participates in β ladder)trans-87.4133.7-173.4-58.8-76.4000111.9N70 A74 L78 E211 F217 A220 L221 L224N70-F182 PolarHBondContact OD1-O 3.33Å; N70-F182 VanDerWaalsContact OD1-O 3.13Å; A74-F182 HydrophobicContact CB-CB 4.07Å; A74-F182 WeakPolarHBondContact CB-O 3.37Å; L78-F182 HydrophobicContact CD1-CB 3.67Å; L78-F182 HydrophobicContact CD1-CD1 3.26Å; L78-F182 HydrophobicContact CD1-CD2 3.98Å; L78-F182 HydrophobicContact CD1-CE1 3.78Å; L78-F182 HydrophobicContact CD1-CE2 4.43Å; L78-F182 HydrophobicContact CD1-CG 3.35Å; L78-F182 HydrophobicContact CD1-CZ 4.32Å; F182-E211 CarbonylContact C-O 3.59Å; F182-E211 WeakPolarHBondContact CA-O 3.08Å; F182-F217 HydrophobicContact CD1-CD2 4.26Å; F182-F217 AromaticContact CD1-CE2 3.8Å; F182-F217 HydrophobicContact CD1-CE2 3.8Å; F182-F217 HydrophobicContact CD1-CZ 4.22Å; F182-F217 HydrophobicContact CE1-CD2 4.43Å; F182-F217 HydrophobicContact CE1-CE2 4.18Å; F182-F217 HydrophobicContact CE1-CZ 4.35Å; F182-A220 HydrophobicContact CE1-CB 3.8Å; F182-A220 VanDerWaalsContact CZ-C 3.48Å; F182-A220 HydrophobicContact CZ-CB 3.67Å; F182-L221 HydrophobicContact CE1-CB 4.43Å; F182-L221 HydrophobicContact CZ-CB 4.4Å; F182-L224 HydrophobicContact CD2-CD2 4.35Å; F182-L224 HydrophobicContact CE2-CB 4.19Å; F182-L224 HydrophobicContact CE2-CD2 3.72Å; F182-L224 HydrophobicContact CE2-CG 4.46Å; F182-L224 HydrophobicContact CZ-CB 4.38Å; F182-L224 HydrophobicContact CZ-CD2 4.3Å
183Q96.9Very high93Very high5 Ų523.8 Ų23.82%0.02312%0.12CC..EExtended strand (participates in β ladder)trans-127.8121.1172.9-66.2179.97.300109.3R68 L69 N70 G210 E211 V213R68-Q183 HydrophobicContact CB-CB 4.32Å; R68-Q183 VanDerWaalsContact CD-OE1 3.25Å; L69-Q183 CarbonylContact O-C 3.5Å; L69-Q183 VanDerWaalsContact O-CA 3.27Å; L69-Q183 WeakPolarHBondContact O-CA 3.49Å; N70-Q183 HydrophobicContact CB-CG 4.45Å; Q183-G210 CarbonylContact O-C 3.5Å; Q183-E211 PolarHBondContact N-O 2.84Å; Q183-E211 PolarHBondContact O-N 3.46Å; Q183-V213 HydrophobicContact CG-CG1 4.45Å
184I97.8Very high93Very high0 Ų026.6 Ų26.60%014%0.137CC..EExtended strand (participates in β ladder)trans-100.7120.9179.2-58.1170.5000108.3L15 L23 R68 L69 A74 V77 L78 L186 V208L15-I184 HydrophobicContact CD2-CD1 4.14Å; L15-I184 HydrophobicContact CD2-CG1 4.45Å; L15-I184 HydrophobicContact CD2-CG2 3.9Å; L23-I184 HydrophobicContact CD2-CG2 3.9Å; R68-I184 CarbonylContact C-O 3.51Å; R68-I184 WeakPolarHBondContact CA-O 3.39Å; L69-I184 HydrophobicContact CB-CB 4.35Å; L69-I184 HydrophobicContact CD2-CD1 4.46Å; L69-I184 PolarHBondContact N-O 3.19Å; L69-I184 PolarHBondContact O-N 3.49Å; A74-I184 HydrophobicContact CB-CD1 4.17Å; A74-I184 HydrophobicContact CB-CG1 4.27Å; V77-I184 HydrophobicContact CB-CD1 3.71Å; V77-I184 HydrophobicContact CG1-CD1 3.54Å; V77-I184 HydrophobicContact CG2-CD1 4.38Å; L78-I184 HydrophobicContact CD2-CD1 4.44Å; L78-I184 HydrophobicContact CG-CD1 4.4Å; I184-L186 HydrophobicContact CG2-CD2 4.31Å; I184-L186 PolarHBondContact O-N 3.07Å; I184-V208 HydrophobicContact CG2-CG1 3.56Å
185V97.8Very high92.8Very high27 Ų2728.2 Ų28.216%0.16415%0.145CC..EExtended strand (participates in β ladder)trans-74.3123.5179.4-176.50000109.2D66 R68 D187 R209D66-V185 HydrophobicContact CB-CG1 4.43Å; R68-V185 HydrophobicContact CG-CG2 4.4Å; V185-D187 HydrophobicContact CG1-CB 4.37Å; V185-R209 PolarHBondContact N-O 3.45Å
186L97.6Very high91.6Very high0 Ų034.2 Ų34.20%019%0.185CC..  trans-95.6-15.1-170.7-58.7-174.3000113.9L23 L27 I67 L69 F91 I184 S188 V189 L190L23-L186 HydrophobicContact CD1-CD2 3.97Å; L23-L186 HydrophobicContact CD2-CD2 4.18Å; L27-L186 HydrophobicContact CD1-CD2 4.33Å; L27-L186 HydrophobicContact CD2-CD1 4.24Å; I67-L186 HydrophobicContact CG2-CD1 4.13Å; I67-L186 PolarHBondContact O-N 3.25Å; L69-L186 HydrophobicContact CB-CD1 4.15Å; L69-L186 HydrophobicContact CB-CD2 3.95Å; L69-L186 HydrophobicContact CB-CG 4.29Å; F91-L186 HydrophobicContact CD1-CD1 3.77Å; F91-L186 HydrophobicContact CE1-CD1 3.75Å; I184-L186 HydrophobicContact CG2-CD2 4.31Å; I184-L186 PolarHBondContact O-N 3.07Å; L186-S188 VanDerWaalsContact C-N 3.3Å; L186-S188 PolarHBondContact O-N 2.91Å; L186-S188 VanDerWaalsContact O-N 3.17Å; L186-V189 PolarHBondContact O-N 3.07Å; L186-L190 HydrophobicContact CB-CD1 3.96Å; L186-L190 HydrophobicContact CB-CG 4.16Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 2.86Å
187D95.8Very high90.3Very high33 Ų3333.7 Ų33.718%0.17619%0.19CC..Hα-helixtrans-49.5-45.3-173.5-76.546.4000113.8R54 D66 I67 V185 V189 L190 S191R54-D187 IonicContact CZ-OD2 3.86Å; R54-D187 VanDerWaalsContact NH1-CG 3.32Å; R54-D187 IonicContact NH1-OD1 3.87Å; R54-D187 IonicContact NH1-OD2 3.93Å; R54-D187 PolarHBondContact NH1-OD2 3.48Å; R54-D187 IonicContact NH2-OD2 2.59Å; R54-D187 PolarHBondContact NH2-OD2 3.39Å; D66-D187 WeakPolarHBondContact CA-OD1 3.45Å; I67-D187 PolarHBondContact N-OD1 3Å; V185-D187 HydrophobicContact CG1-CB 4.37Å; D187-V189 VanDerWaalsContact C-N 3.34Å; D187-V189 PolarHBondContact O-N 2.84Å; D187-L190 PolarHBondContact O-N 3.17Å; D187-S191 PolarHBondContact O-N 2.87Å; D187-S191 PolarHBondContact O-OG 2.88Å; D187-S191 VanDerWaalsContact O-OG 3.14Å
188S94.4Very high89Confident41 Ų4137.4 Ų37.429%0.28722%0.221SC..Hα-helixtrans-66.9-33.4179.7570000113.4L186 H192 P206 A207L186-S188 VanDerWaalsContact C-N 3.3Å; L186-S188 PolarHBondContact O-N 2.91Å; L186-S188 VanDerWaalsContact O-N 3.17Å; S188-H192 WeakPolarHBondContact O-CB 3.25Å; S188-H192 PolarHBondContact O-N 3.12Å; S188-P206 WeakPolarHBondContact O-CB 3.33Å; S188-A207 WeakPolarHBondContact CB-O 3.2Å; S188-A207 PolarHBondContact OG-O 3.44Å
189V94.3Very high88.2Confident1 Ų141.8 Ų41.81%0.00626%0.257CS..Hα-helixtrans-76.9-40178.2178.20000110.9L23 L27 L186 D187 H192 Y193 M200 P206 V208L23-V189 HydrophobicContact CD2-CG2 3.98Å; L27-V189 HydrophobicContact CD1-CB 4.49Å; L27-V189 HydrophobicContact CD1-CG1 3.76Å; L186-V189 PolarHBondContact O-N 3.07Å; D187-V189 VanDerWaalsContact C-N 3.34Å; D187-V189 PolarHBondContact O-N 2.84Å; V189-H192 WeakPolarHBondContact O-CB 3.47Å; V189-H192 PolarHBondContact O-N 2.94Å; V189-Y193 HydrophobicContact CG1-CD2 4.21Å; V189-Y193 HydrophobicContact CG1-CE1 4.47Å; V189-Y193 HydrophobicContact CG1-CE2 3.5Å; V189-Y193 WeakPolarHBondContact O-CD2 3.41Å; V189-Y193 PolarHBondContact O-N 2.89Å; V189-Y193 VanDerWaalsContact O-N 3.14Å; V189-M200 HydrophobicContact CG1-CE 3.96Å; V189-P206 HydrophobicContact CB-CG 4.39Å; V189-P206 HydrophobicContact CG2-CG 3.82Å; V189-V208 HydrophobicContact CG2-CB 4.43Å; V189-V208 HydrophobicContact CG2-CG1 4.35Å; V189-V208 HydrophobicContact CG2-CG2 3.24Å
190L93Very high88Confident7 Ų743.1 Ų43.14%0.03726%0.264CS..Hα-helixtrans-64.7-44.4177.5-65.8173000111.3K47 V50 I67 L186 D187 H192 Y193 E194K47-L190 HydrophobicContact CB-CD2 4.48Å; V50-L190 HydrophobicContact CG1-CD1 3.69Å; V50-L190 HydrophobicContact CG1-CD2 4.22Å; I67-L190 HydrophobicContact CB-CD1 4.4Å; I67-L190 HydrophobicContact CD1-CD1 3.82Å; L186-L190 HydrophobicContact CB-CD1 3.96Å; L186-L190 HydrophobicContact CB-CG 4.16Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 2.86Å; D187-L190 PolarHBondContact O-N 3.17Å; L190-H192 VanDerWaalsContact C-N 3.27Å; L190-H192 PolarHBondContact O-N 2.81Å; L190-Y193 HydrophobicContact CD2-CD2 4.35Å; L190-Y193 PolarHBondContact O-N 2.86Å; L190-Y193 VanDerWaalsContact O-N 3.12Å; L190-E194 PolarHBondContact O-N 2.92Å
191S91.9Very high88Confident58 Ų5844 Ų4441%0.40627%0.271SS..Hα-helixtrans-60.7-37.5174.2-640000112.2D187 Y193 E194 E195D187-S191 PolarHBondContact O-N 2.87Å; D187-S191 PolarHBondContact O-OG 2.88Å; D187-S191 VanDerWaalsContact O-OG 3.14Å; S191-Y193 VanDerWaalsContact C-N 3.29Å; S191-Y193 PolarHBondContact O-N 3.45Å; S191-E194 PolarHBondContact O-N 3.31Å; S191-E195 PolarHBondContact O-N 3.41Å
192H90.8Very high87.9Confident20 Ų2049.8 Ų49.89%0.09330%0.298CS..Hα-helixtrans-63.7-33.1176-174.378000113S188 V189 L190 E194 E195 M200 F204 P206S188-H192 WeakPolarHBondContact O-CB 3.25Å; S188-H192 PolarHBondContact O-N 3.12Å; V189-H192 WeakPolarHBondContact O-CB 3.47Å; V189-H192 PolarHBondContact O-N 2.94Å; L190-H192 VanDerWaalsContact C-N 3.27Å; L190-H192 PolarHBondContact O-N 2.81Å; H192-E194 VanDerWaalsContact C-N 3.3Å; H192-E194 PolarHBondContact O-N 2.63Å; H192-E195 PolarHBondContact O-N 3.21Å; H192-M200 WeakPolarHBondContact NE2-CG 3.47Å; H192-F204 AromaticContact CE1-CD1 3.85Å; H192-F204 AromaticContact CE1-CE1 3.37Å; H192-F204 WeakPolarHBondContact CE1-CE1 3.2Å; H192-P206 HydrophobicContact CB-CB 4.32Å; H192-P206 HydrophobicContact CB-CG 4.07Å
193Y90.3Very high87.5Confident56 Ų5657.7 Ų57.722%0.2234%0.335CS..Hα-helixtrans-71.9-21.2175.7-66-43.3000114.2N24 L27 T28 K47 V189 L190 S191 E195 M200N24-Y193 WeakPolarHBondContact OD1-CE1 3.24Å; N24-Y193 PolarHBondContact OD1-OH 2.69Å; L27-Y193 HydrophobicContact CB-CE2 4.31Å; L27-Y193 HydrophobicContact CD1-CE2 4.18Å; T28-Y193 HydrophobicContact CG2-CE1 4.38Å; K47-Y193 HydrophobicContact CB-CD2 3.82Å; K47-Y193 HydrophobicContact CB-CE2 3.72Å; K47-Y193 HydrophobicContact CD-CD1 4.27Å; K47-Y193 HydrophobicContact CD-CD2 3.77Å; K47-Y193 HydrophobicContact CD-CE1 4.3Å; K47-Y193 HydrophobicContact CD-CE2 3.83Å; K47-Y193 HydrophobicContact CD-CG 4.02Å; K47-Y193 HydrophobicContact CG-CD2 4.43Å; K47-Y193 HydrophobicContact CG-CE2 4.41Å; V189-Y193 HydrophobicContact CG1-CD2 4.21Å; V189-Y193 HydrophobicContact CG1-CE1 4.47Å; V189-Y193 HydrophobicContact CG1-CE2 3.5Å; V189-Y193 WeakPolarHBondContact O-CD2 3.41Å; V189-Y193 PolarHBondContact O-N 2.89Å; V189-Y193 VanDerWaalsContact O-N 3.14Å; L190-Y193 HydrophobicContact CD2-CD2 4.35Å; L190-Y193 PolarHBondContact O-N 2.86Å; L190-Y193 VanDerWaalsContact O-N 3.12Å; S191-Y193 VanDerWaalsContact C-N 3.29Å; S191-Y193 PolarHBondContact O-N 3.45Å; Y193-E195 VanDerWaalsContact C-N 3.35Å; Y193-M200 HydrophobicContact CD1-CE 4.11Å; Y193-M200 HydrophobicContact CE1-CE 3.18Å; Y193-M200 VanDerWaalsContact CZ-CE 3.48Å; Y193-M200 WeakPolarHBondContact OH-CE 3.39Å
194E85.9Confident87.1Confident140 Ų14062.2 Ų62.265%0.65436%0.355SS*.Hα-helixtrans-78.9-23.5176.2-65.9176.9178.300111.9L190 S191 H192L190-E194 PolarHBondContact O-N 2.92Å; S191-E194 PolarHBondContact O-N 3.31Å; H192-E194 VanDerWaalsContact C-N 3.3Å; H192-E194 PolarHBondContact O-N 2.63Å
195E82.6Confident86.8Confident110 Ų11065.4 Ų65.451%0.51437%0.37SS..SBendtrans-75.1139.7176.3-66178.8-172.200110.6S191 H192 Y193 A197S191-E195 PolarHBondContact O-N 3.41Å; H192-E195 PolarHBondContact O-N 3.21Å; Y193-E195 VanDerWaalsContact C-N 3.35Å; E195-A197 HydrophobicContact CB-CB 4.35Å; E195-A197 PolarHBondContact O-N 3.35Å
196P67.1Low86.6Confident141 Ų14165 Ų6592%0.91637%0.368SS*.  trans-71.422.6177.629.1-34.1000113.6
197A63.3Low86.5Confident46 Ų4668.8 Ų68.838%0.3840%0.399SS..PPolyproline II helixtrans-77161.3-172.700000112.7E195 F204E195-A197 HydrophobicContact CB-CB 4.35Å; E195-A197 PolarHBondContact O-N 3.35Å; A197-F204 HydrophobicContact CB-CE1 3.76Å; A197-F204 HydrophobicContact CB-CZ 4.21Å
198A65.4Low86.6Confident79 Ų7967.3 Ų67.365%0.65339%0.391SS*.PPolyproline II helixtrans-57.9159.117900000112.3
199A79.2Confident86.7Confident91 Ų9172.5 Ų72.575%0.75241%0.405SS*.PPolyproline II helixtrans-49.4141.6174.300000111.6S201A199-S201 PolarHBondContact O-N 2.9Å
200M86.7Confident86.8Confident31 Ų3172.5 Ų72.515%0.15340%0.404CS..PPolyproline II helixtrans-52.6135.9179.6-86.2-171.7-108.300111.3W17 V20 N24 V189 H192 Y193 P206W17-M200 HydrophobicContact CH2-CB 4.3Å; W17-M200 HydrophobicContact CZ3-CB 4.37Å; V20-M200 HydrophobicContact CG1-SD 4.24Å; N24-M200 HydrophobicContact CB-CE 3.82Å; N24-M200 HydrophobicContact CB-SD 4.17Å; N24-M200 WeakPolarHBondContact OD1-CE 3.36Å; V189-M200 HydrophobicContact CG1-CE 3.96Å; H192-M200 WeakPolarHBondContact NE2-CG 3.47Å; Y193-M200 HydrophobicContact CD1-CE 4.11Å; Y193-M200 HydrophobicContact CE1-CE 3.18Å; Y193-M200 VanDerWaalsContact CZ-CE 3.48Å; Y193-M200 WeakPolarHBondContact OH-CE 3.39Å; M200-P206 HydrophobicContact SD-CG 4.35Å
201S89.1Confident86.9Confident38 Ų3874.4 Ų74.427%0.26641%0.413SS..BIsolated β-bridgetrans-140165.1178.363.80000110.9W17 A199 Q203 F204 H205W17-S201 VanDerWaalsContact CH2-CA 3.45Å; W17-S201 VanDerWaalsContact CZ3-C 3.48Å; W17-S201 WeakPolarHBondContact CZ3-O 3.49Å; A199-S201 PolarHBondContact O-N 2.9Å; S201-Q203 PolarHBondContact O-N 2.89Å; S201-F204 PolarHBondContact N-O 2.83Å; S201-F204 CarbonylContact O-C 3.46Å; S201-F204 PolarHBondContact O-N 3.46Å; S201-F204 PolarHBondContact OG-N 2.78Å; S201-H205 PolarHBondContact O-ND1 2.88Å
202E90.5Very high87.2Confident121 Ų12171.7 Ų71.757%0.56539%0.394SS*.THydrogen-bonded Turntrans-57.5-34.9179.2-172.9172.2-169.300112.4W17 H205W17-E202 HydrophobicContact CB-CG 4.3Å; W17-E202 HydrophobicContact CD2-CB 4.01Å; W17-E202 HydrophobicContact CD2-CG 4.31Å; W17-E202 HydrophobicContact CG-CB 4.02Å; W17-E202 HydrophobicContact CG-CG 3.8Å; W17-E202 HydrophobicContact CZ2-CB 4.38Å; E202-H205 PolarHBondContact O-CE1 3.4Å; E202-H205 PolarHBondContact O-ND1 3.41Å
203Q88.3Confident87.3Confident167 Ų16771.6 Ų71.678%0.7840%0.395SS*.THydrogen-bonded Turntrans-82-18.1177.5-56.984.59.800113.3S201S201-Q203 PolarHBondContact O-N 2.89Å
204F88.3Confident87.5Confident100 Ų10070 Ų7044%0.43939%0.389SS..BIsolated β-bridgetrans-141.390.2-175.1-170.1-108.3000110.6H192 A197 S201H192-F204 AromaticContact CE1-CD1 3.85Å; H192-F204 AromaticContact CE1-CE1 3.37Å; H192-F204 WeakPolarHBondContact CE1-CE1 3.2Å; A197-F204 HydrophobicContact CB-CE1 3.76Å; A197-F204 HydrophobicContact CB-CZ 4.21Å; S201-F204 PolarHBondContact N-O 2.83Å; S201-F204 CarbonylContact O-C 3.46Å; S201-F204 PolarHBondContact O-N 3.46Å; S201-F204 PolarHBondContact OG-N 2.78Å
205H91.3Very high87.9Confident66 Ų6664.7 Ų64.731%0.30637%0.371SS..  trans-145.6151175.960.8-88.2000110.9W17 V20 S201 E202W17-H205 HydrophobicContact CE3-CB 3.83Å; W17-H205 AromaticContact CE3-CG 3.6Å; W17-H205 AromaticContact CE3-ND1 3.51Å; W17-H205 HydrophobicContact CZ3-CB 3.64Å; W17-H205 AromaticContact CZ3-CG 3.96Å; V20-H205 HydrophobicContact CG1-CB 4.25Å; S201-H205 PolarHBondContact O-ND1 2.88Å; E202-H205 PolarHBondContact O-CE1 3.4Å; E202-H205 PolarHBondContact O-ND1 3.41Å
206P93.8Very high88.5Confident18 Ų1860.4 Ų60.412%0.11735%0.352CS..  trans-67.9147.3176.627.9-34.1000111.1S188 V189 H192 M200 V208S188-P206 WeakPolarHBondContact O-CB 3.33Å; V189-P206 HydrophobicContact CB-CG 4.39Å; V189-P206 HydrophobicContact CG2-CG 3.82Å; H192-P206 HydrophobicContact CB-CB 4.32Å; H192-P206 HydrophobicContact CB-CG 4.07Å; M200-P206 HydrophobicContact SD-CG 4.35Å; P206-V208 HydrophobicContact CG-CG2 4.34Å; P206-V208 PolarHBondContact O-N 3Å
207A94.7Very high89.8Confident80 Ų8053.9 Ų53.966%0.66131%0.309SS*.  trans-70.7115.5168.300000109.6S188S188-A207 WeakPolarHBondContact CB-O 3.2Å; S188-A207 PolarHBondContact OG-O 3.44Å
208V97Very high91.3Very high2 Ų255.8 Ų55.81%0.01231%0.313CS..  trans-109.7133.9-178.5-171.50000109.7L15 V20 L23 I184 V189 P206L15-V208 HydrophobicContact CB-CB 4.27Å; L15-V208 HydrophobicContact CD2-CB 4.35Å; L15-V208 HydrophobicContact CD2-CG1 4.01Å; L15-V208 PolarHBondContact N-O 2.74Å; V20-V208 HydrophobicContact CG1-CG2 4.17Å; V20-V208 HydrophobicContact CG2-CB 4.06Å; V20-V208 HydrophobicContact CG2-CG2 3.8Å; L23-V208 HydrophobicContact CD2-CG1 3.83Å; L23-V208 HydrophobicContact CD2-CG2 4.44Å; I184-V208 HydrophobicContact CG2-CG1 3.56Å; V189-V208 HydrophobicContact CG2-CB 4.43Å; V189-V208 HydrophobicContact CG2-CG1 4.35Å; V189-V208 HydrophobicContact CG2-CG2 3.24Å; P206-V208 HydrophobicContact CG-CG2 4.34Å; P206-V208 PolarHBondContact O-N 3Å
209R96.7Very high92.8Very high151 Ų15153.9 Ų53.957%0.5730%0.297SS*.EExtended strand (participates in β ladder)trans-108.5132.5-179.9-76.4-177.5-71.6173.5-3.1111.5V12 D14 V185V12-R209 HydrophobicContact CG1-CB 4.22Å; V12-R209 HydrophobicContact CG1-CG 4.3Å; D14-R209 WeakPolarHBondContact OD1-CG 3.48Å; V185-R209 PolarHBondContact N-O 3.45Å
210G96.6Very high93.6Very high0 Ų049.5 Ų49.50%026%0.261CS..EExtended strand (participates in β ladder)trans-102.1140.5168.200000110.4V12 S13 Q183V12-G210 CarbonylContact C-O 3.44Å; V12-G210 VanDerWaalsContact CA-O 3.3Å; V12-G210 WeakPolarHBondContact CA-O 3.32Å; S13-G210 PolarHBondContact N-O 2.88Å; S13-G210 PolarHBondContact O-N 3.12Å; Q183-G210 CarbonylContact O-C 3.5Å
211E96.6Very high93.9Very high48 Ų4848.4 Ų48.422%0.22426%0.256CS..EExtended strand (participates in β ladder)trans-120.2141.9174.4-171.4179.7155.900109.8S11 V12 R68 F182 Q183S11-E211 CarbonylContact O-C 3.37Å; S11-E211 VanDerWaalsContact O-CA 3.27Å; S11-E211 WeakPolarHBondContact O-CA 3.19Å; V12-E211 HydrophobicContact CG2-CG 4.23Å; R68-E211 IonicContact CZ-OE2 2.64Å; R68-E211 IonicContact NH1-OE1 2.69Å; R68-E211 IonicContact NH1-OE2 3.45Å; R68-E211 PolarHBondContact NH1-OE2 3.42Å; R68-E211 IonicContact NH2-OE2 3.73Å; R68-E211 PolarHBondContact NH2-OE2 3.44Å; F182-E211 CarbonylContact C-O 3.59Å; F182-E211 WeakPolarHBondContact CA-O 3.08Å; Q183-E211 PolarHBondContact N-O 2.84Å; Q183-E211 PolarHBondContact O-N 3.46Å
212S96.4Very high94.2Very high1 Ų147.7 Ų47.71%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-109.3115.1171.1-179.60000110S11 S181 Y214 G215 A220S11-S212 PolarHBondContact O-N 3.38Å; S181-S212 WeakPolarHBondContact O-CA 3.46Å; S181-S212 PolarHBondContact OG-OG 3.01Å; S212-Y214 PolarHBondContact O-N 3.42Å; S212-Y214 WeakPolarHBondContact OG-CB 3.26Å; S212-Y214 PolarHBondContact OG-N 3.35Å; S212-G215 PolarHBondContact O-N 3.32Å; S212-G215 VanDerWaalsContact O-N 3.13Å; S212-G215 VanDerWaalsContact O-O 3.08Å; S212-A220 WeakPolarHBondContact OG-CB 3.4Å
213V94.3Very high94.5Very high17 Ų1743.5 Ų43.510%0.10323%0.234CC..THydrogen-bonded Turntrans-74.1-5.3176-62.60000112.8Q174 F175 S181 Q183 G215 R233Q174-V213 HydrophobicContact CB-CB 4.1Å; Q174-V213 HydrophobicContact CB-CG1 4.33Å; Q174-V213 HydrophobicContact CB-CG2 3.88Å; F175-V213 HydrophobicContact CB-CG2 3.79Å; F175-V213 HydrophobicContact CD1-CB 4.27Å; F175-V213 HydrophobicContact CD1-CG2 3.74Å; F175-V213 VanDerWaalsContact CD1-O 3.24Å; F175-V213 WeakPolarHBondContact CD1-O 3.46Å; F175-V213 WeakPolarHBondContact CE1-O 3.38Å; F175-V213 HydrophobicContact CG-CG2 4.15Å; S181-V213 VanDerWaalsContact O-CG2 3.26Å; S181-V213 WeakPolarHBondContact O-CG2 3.39Å; S181-V213 PolarHBondContact O-N 3.08Å; Q183-V213 HydrophobicContact CG-CG1 4.45Å; V213-G215 VanDerWaalsContact C-N 3.26Å; V213-R233 PolarHBondContact O-NH2 3.46Å
214Y93.9Very high94.7Very high24 Ų2435.6 Ų35.69%0.09420%0.198CC..THydrogen-bonded Turntrans-72.8-17.4168.6175.2-100.6000112.8F175 S181 S212 A220 H223 K232F175-Y214 HydrophobicContact CD2-CD2 4.41Å; F175-Y214 AromaticContact CE2-CD2 3.67Å; F175-Y214 HydrophobicContact CE2-CD2 3.67Å; F175-Y214 HydrophobicContact CE2-CE2 4.5Å; F175-Y214 AromaticContact CZ-CD2 3.8Å; F175-Y214 HydrophobicContact CZ-CD2 3.8Å; F175-Y214 HydrophobicContact CZ-CG 4.5Å; S181-Y214 VanDerWaalsContact OG-CB 3.25Å; S181-Y214 WeakPolarHBondContact OG-CB 3.44Å; S212-Y214 PolarHBondContact O-N 3.42Å; S212-Y214 WeakPolarHBondContact OG-CB 3.26Å; S212-Y214 PolarHBondContact OG-N 3.35Å; Y214-A220 HydrophobicContact CD1-CB 4.03Å; Y214-H223 AromaticContact CE1-CE1 4Å; Y214-H223 AromaticContact CZ-CE1 3.99Å; Y214-K232 HydrophobicContact CD2-CG 4.42Å; Y214-K232 HydrophobicContact CE1-CD 4.29Å; Y214-K232 HydrophobicContact CE2-CB 4.18Å; Y214-K232 HydrophobicContact CE2-CD 4.04Å; Y214-K232 HydrophobicContact CE2-CG 3.66Å
215G93.5Very high94.9Very high27 Ų2738.3 Ų38.328%0.27821%0.205SC..SBendtrans115-118.1-172.800000109.1S11 S212 V213 F217S11-G215 WeakPolarHBondContact CA-O 3.37Å; S11-G215 WeakPolarHBondContact CB-O 3.08Å; S212-G215 PolarHBondContact O-N 3.32Å; S212-G215 VanDerWaalsContact O-N 3.13Å; S212-G215 VanDerWaalsContact O-O 3.08Å; V213-G215 VanDerWaalsContact C-N 3.26Å; G215-F217 PolarHBondContact O-N 2.95Å
216D95.2Very high95.1Very high21 Ų2140.5 Ų40.511%0.11222%0.219CC..  trans-56.8119.3-179.4-169.7-49.9000112.7N218 A219 A220D216-N218 WeakPolarHBondContact OD1-CA 3.42Å; D216-N218 PolarHBondContact OD1-N 3.15Å; D216-A219 HydrophobicContact CB-CB 3.78Å; D216-A219 PolarHBondContact OD1-N 2.85Å; D216-A220 PolarHBondContact O-N 3.38Å; D216-A220 VanDerWaalsContact O-N 3.14Å
217F95.8Very high95.1Very high3 Ų342.7 Ų42.71%0.01323%0.226CC..Hα-helixtrans-65.5-44.3-178.6-173.3-84.9000112.3S10 S13 L78 F182 G215 A220 L221S10-F217 PolarHBondContact O-N 2.82Å; S13-F217 VanDerWaalsContact CB-CE1 3.42Å; L78-F217 HydrophobicContact CD1-CE2 4.3Å; L78-F217 HydrophobicContact CD1-CZ 3.86Å; L78-F217 HydrophobicContact CD2-CZ 3.97Å; F182-F217 HydrophobicContact CD1-CD2 4.26Å; F182-F217 AromaticContact CD1-CE2 3.8Å; F182-F217 HydrophobicContact CD1-CE2 3.8Å; F182-F217 HydrophobicContact CD1-CZ 4.22Å; F182-F217 HydrophobicContact CE1-CD2 4.43Å; F182-F217 HydrophobicContact CE1-CE2 4.18Å; F182-F217 HydrophobicContact CE1-CZ 4.35Å; G215-F217 PolarHBondContact O-N 2.95Å; F217-A220 PolarHBondContact O-N 3.02Å; F217-L221 HydrophobicContact CE1-CD2 4.17Å; F217-L221 VanDerWaalsContact O-CB 3.32Å; F217-L221 WeakPolarHBondContact O-CB 3.24Å; F217-L221 PolarHBondContact O-N 3.39Å
218N95.1Very high95.1Very high87 Ų8741.3 Ų41.347%0.46521%0.208SC..Hα-helixtrans-70.5-35.7-177.1-71.5-44000111.3D216 L221 G222D216-N218 WeakPolarHBondContact OD1-CA 3.42Å; D216-N218 PolarHBondContact OD1-N 3.15Å; N218-L221 PolarHBondContact O-N 2.87Å; N218-G222 PolarHBondContact O-N 3.43Å
219A95.5Very high95.1Very high38 Ų3841.2 Ų41.231%0.31421%0.207SC..Hα-helixtrans-63.1-47.9172.900000111.4D216 L221 G222 H223D216-A219 HydrophobicContact CB-CB 3.78Å; D216-A219 PolarHBondContact OD1-N 2.85Å; A219-L221 VanDerWaalsContact C-N 3.31Å; A219-L221 PolarHBondContact O-N 3.45Å; A219-G222 PolarHBondContact O-N 3.21Å; A219-H223 PolarHBondContact O-CD2 3.05Å; A219-H223 VanDerWaalsContact O-CG 3.32Å; A219-H223 PolarHBondContact O-N 2.95Å
220A95.5Very high95Very high0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-61.1-41.4176.100000111.6F182 S212 Y214 D216 F217 G222 H223 L224F182-A220 HydrophobicContact CE1-CB 3.8Å; F182-A220 VanDerWaalsContact CZ-C 3.48Å; F182-A220 HydrophobicContact CZ-CB 3.67Å; S212-A220 WeakPolarHBondContact OG-CB 3.4Å; Y214-A220 HydrophobicContact CD1-CB 4.03Å; D216-A220 PolarHBondContact O-N 3.38Å; D216-A220 VanDerWaalsContact O-N 3.14Å; F217-A220 PolarHBondContact O-N 3.02Å; A220-G222 VanDerWaalsContact C-N 3.33Å; A220-H223 WeakPolarHBondContact O-CB 2.99Å; A220-H223 PolarHBondContact O-N 3.39Å; A220-L224 PolarHBondContact O-N 2.86Å
221L94.8Very high94.9Very high8 Ų835.7 Ų35.74%0.04219%0.191CC..Hα-helixtrans-65.1-38.3177.5-172.765000111.6L78 V79 F182 F217 N218 A219 H223 L224 R225L78-L221 HydrophobicContact CB-CD1 4.11Å; V79-L221 HydrophobicContact CG2-CD1 3.71Å; F182-L221 HydrophobicContact CE1-CB 4.43Å; F182-L221 HydrophobicContact CZ-CB 4.4Å; F217-L221 HydrophobicContact CE1-CD2 4.17Å; F217-L221 VanDerWaalsContact O-CB 3.32Å; F217-L221 WeakPolarHBondContact O-CB 3.24Å; F217-L221 PolarHBondContact O-N 3.39Å; N218-L221 PolarHBondContact O-N 2.87Å; A219-L221 VanDerWaalsContact C-N 3.31Å; A219-L221 PolarHBondContact O-N 3.45Å; L221-H223 VanDerWaalsContact C-N 3.35Å; L221-L224 PolarHBondContact O-N 3.08Å; L221-R225 WeakPolarHBondContact O-CG 3.37Å; L221-R225 PolarHBondContact O-N 3.19Å
222G95.3Very high94.6Very high22 Ų2238.9 Ų38.923%0.22720%0.204CC..Hα-helixtrans-60.9-41.6171.500000112.3N218 A219 A220 N226N218-G222 PolarHBondContact O-N 3.43Å; A219-G222 PolarHBondContact O-N 3.21Å; A220-G222 VanDerWaalsContact C-N 3.33Å; G222-N226 WeakPolarHBondContact O-CB 3.38Å; G222-N226 PolarHBondContact O-N 2.91Å; G222-N226 PolarHBondContact O-ND2 2.71Å
223H95.3Very high94.3Very high33 Ų3341.9 Ų41.915%0.15322%0.215CC..Hα-helixtrans-63.1-42.7173.3-60160.3000111.9S178 V179 Y214 A219 A220 L221 N226 K227 L228 A230S178-H223 WeakPolarHBondContact CB-ND1 3.47Å; S178-H223 WeakPolarHBondContact OG-CB 3.4Å; S178-H223 PolarHBondContact OG-ND1 3.22Å; V179-H223 HydrophobicContact CG1-CB 4.46Å; Y214-H223 AromaticContact CE1-CE1 4Å; Y214-H223 AromaticContact CZ-CE1 3.99Å; A219-H223 PolarHBondContact O-CD2 3.05Å; A219-H223 VanDerWaalsContact O-CG 3.32Å; A219-H223 PolarHBondContact O-N 2.95Å; A220-H223 WeakPolarHBondContact O-CB 2.99Å; A220-H223 PolarHBondContact O-N 3.39Å; L221-H223 VanDerWaalsContact C-N 3.35Å; H223-N226 PolarHBondContact O-N 3.2Å; H223-K227 PolarHBondContact O-N 3.09Å; H223-L228 HydrophobicContact CB-CB 4.08Å; H223-L228 PolarHBondContact O-N 3.12Å; H223-A230 VanDerWaalsContact CE1-CB 3.44Å; H223-A230 WeakPolarHBondContact CE1-CB 3.48Å; H223-A230 WeakPolarHBondContact ND1-CB 3.45Å
224L93.5Very high94.2Very high2 Ų243.5 Ų43.51%0.0123%0.226CC..Hα-helixtrans-62.6-46.8178.7-174.162.4000111.9V79 I82 V179 F182 A220 L221 N226 K227V79-L224 HydrophobicContact CB-CD2 4.03Å; V79-L224 HydrophobicContact CB-CG 4.32Å; V79-L224 HydrophobicContact CG2-CD2 3.71Å; V79-L224 HydrophobicContact CG2-CG 4.06Å; I82-L224 HydrophobicContact CD1-CD1 3.95Å; I82-L224 HydrophobicContact CD1-CD2 4.11Å; I82-L224 HydrophobicContact CD1-CG 4.2Å; I82-L224 HydrophobicContact CG1-CD1 4.38Å; I82-L224 HydrophobicContact CG2-CD1 4.07Å; V179-L224 HydrophobicContact CB-CD1 4.06Å; V179-L224 HydrophobicContact CG1-CD1 4.31Å; F182-L224 HydrophobicContact CD2-CD2 4.35Å; F182-L224 HydrophobicContact CE2-CB 4.19Å; F182-L224 HydrophobicContact CE2-CD2 3.72Å; F182-L224 HydrophobicContact CE2-CG 4.46Å; F182-L224 HydrophobicContact CZ-CB 4.38Å; F182-L224 HydrophobicContact CZ-CD2 4.3Å; A220-L224 PolarHBondContact O-N 2.86Å; L221-L224 PolarHBondContact O-N 3.08Å; L224-N226 PolarHBondContact O-N 3.29Å; L224-K227 PolarHBondContact O-N 3.28Å
225R93Very high93.9Very high156 Ų15647.3 Ų47.359%0.58925%0.245SC*.Hα-helixtrans-63.8-39.7179.1-72.8174.2175.4165.4-2.1112.9V79 L221 K227V79-R225 HydrophobicContact CG1-CG 4.42Å; V79-R225 HydrophobicContact CG2-CG 3.84Å; L221-R225 WeakPolarHBondContact O-CG 3.37Å; L221-R225 PolarHBondContact O-N 3.19Å; R225-K227 VanDerWaalsContact C-N 3.33Å
226N93.8Very high93.7Very high113 Ų11347 Ų4760%0.60424%0.236SC*.THydrogen-bonded Turntrans-92.28.1-177-63.6-41.7000113.5G222 H223 L224 L228G222-N226 WeakPolarHBondContact O-CB 3.38Å; G222-N226 PolarHBondContact O-N 2.91Å; G222-N226 PolarHBondContact O-ND2 2.71Å; H223-N226 PolarHBondContact O-N 3.2Å; L224-N226 PolarHBondContact O-N 3.29Å; N226-L228 VanDerWaalsContact C-N 3.33Å; N226-L228 HydrophobicContact CB-CD1 3.98Å; N226-L228 HydrophobicContact CB-CG 3.91Å; N226-L228 PolarHBondContact O-N 3.21Å
227K93.9Very high93.5Very high63 Ų6346.1 Ų46.127%0.27423%0.231SC..THydrogen-bonded Turntrans5148.3-175.5-60.2-171.1173.2-167.40113.3H223 L224 R225 D252 F253 R254H223-K227 PolarHBondContact O-N 3.09Å; L224-K227 PolarHBondContact O-N 3.28Å; R225-K227 VanDerWaalsContact C-N 3.33Å; K227-D252 HydrophobicContact CD-CB 4.42Å; K227-F253 VanDerWaalsContact CA-CD1 3.44Å; K227-F253 HydrophobicContact CB-CD1 3.87Å; K227-F253 HydrophobicContact CB-CD2 4.36Å; K227-F253 HydrophobicContact CB-CE1 4.09Å; K227-F253 HydrophobicContact CB-CG 4Å; K227-F253 HydrophobicContact CB-CZ 4.43Å; K227-F253 HydrophobicContact CG-CE1 4.35Å; K227-F253 HydrophobicContact CG-CE2 4.37Å; K227-F253 HydrophobicContact CG-CZ 4.25Å; K227-F253 CarbonylContact O-C 3.59Å; K227-F253 WeakPolarHBondContact O-CA 3.48Å; K227-R254 PolarHBondContact O-N 3.19Å
228L95.8Very high93.4Very high52 Ų5250.6 Ų50.627%0.27225%0.248SC..EExtended strand (participates in β ladder)trans-100.1136.3178.7-58.6174.2000111.5V179 H223 N226 R254 A256V179-L228 VanDerWaalsContact CG1-O 3.3Å; V179-L228 WeakPolarHBondContact CG1-O 3.49Å; H223-L228 HydrophobicContact CB-CB 4.08Å; H223-L228 PolarHBondContact O-N 3.12Å; N226-L228 VanDerWaalsContact C-N 3.33Å; N226-L228 HydrophobicContact CB-CD1 3.98Å; N226-L228 HydrophobicContact CB-CG 3.91Å; N226-L228 PolarHBondContact O-N 3.21Å; L228-R254 CarbonylContact C-O 3.58Å; L228-R254 VanDerWaalsContact CA-O 3.3Å; L228-R254 WeakPolarHBondContact CA-O 3.5Å; L228-A256 HydrophobicContact CB-CB 4.39Å
229I95.8Very high93.1Very high0 Ų046.4 Ų46.40%023%0.226CC..EExtended strand (participates in β ladder)trans-94.9119.9172.6-46.2176.7000107.6F177 Y245 L248 L249 F253 R254 A256 F261F177-I229 HydrophobicContact CB-CG2 4.5Å; F177-I229 HydrophobicContact CD1-CG2 3.38Å; F177-I229 HydrophobicContact CE1-CG2 3.7Å; F177-I229 HydrophobicContact CG-CG2 3.97Å; I229-Y245 HydrophobicContact CD1-CD2 3.86Å; I229-Y245 HydrophobicContact CD1-CE2 3.68Å; I229-Y245 HydrophobicContact CG2-CD2 4.21Å; I229-Y245 HydrophobicContact CG2-CE2 4.45Å; I229-L248 HydrophobicContact CD1-CB 3.64Å; I229-L248 HydrophobicContact CD1-CD1 4.27Å; I229-L248 HydrophobicContact CG1-CB 4.12Å; I229-L248 HydrophobicContact CG1-CD1 4.17Å; I229-L248 HydrophobicContact CG2-CD1 3.89Å; I229-L249 HydrophobicContact CD1-CD2 3.9Å; I229-L249 HydrophobicContact CD1-CG 4.38Å; I229-F253 HydrophobicContact CD1-CB 3.87Å; I229-F253 HydrophobicContact CG1-CB 3.58Å; I229-F253 HydrophobicContact CG1-CG 4.49Å; I229-R254 PolarHBondContact N-O 3.29Å; I229-A256 WeakPolarHBondContact O-CB 3.42Å; I229-A256 PolarHBondContact O-N 3.4Å; I229-F261 HydrophobicContact CB-CE1 3.96Å; I229-F261 HydrophobicContact CB-CZ 3.95Å; I229-F261 HydrophobicContact CG2-CE1 3.53Å; I229-F261 HydrophobicContact CG2-CZ 3.66Å; I229-F261 VanDerWaalsContact O-CE2 3.24Å; I229-F261 WeakPolarHBondContact O-CE2 3.5Å; I229-F261 WeakPolarHBondContact O-CZ 3.33Å
230A95.9Very high93Very high8 Ų845.7 Ų45.77%0.06622%0.222CC..  trans-141.5148.5176.300000110.4F177 S178 H223 A256F177-A230 CarbonylContact C-O 3.55Å; F177-A230 VanDerWaalsContact CA-O 3.31Å; F177-A230 WeakPolarHBondContact CA-O 3.41Å; S178-A230 PolarHBondContact N-O 3.17Å; H223-A230 VanDerWaalsContact CE1-CB 3.44Å; H223-A230 WeakPolarHBondContact CE1-CB 3.48Å; H223-A230 WeakPolarHBondContact ND1-CB 3.45Å; A230-A256 HydrophobicContact CB-CB 4.16Å
231T94.6Very high93Very high27 Ų2745.7 Ų45.717%0.16622%0.222CC..  trans-145.1146.8171.8-1710000109.4E176 R233 P234 I237 L264E176-T231 WeakPolarHBondContact O-CB 3.04Å; E176-T231 PolarHBondContact O-OG1 3.03Å; T231-R233 PolarHBondContact OG1-N 3.15Å; T231-P234 HydrophobicContact CG2-CB 4.43Å; T231-I237 HydrophobicContact CG2-CD1 4.07Å; T231-L264 HydrophobicContact CG2-CD2 3.6Å
232K90.8Very high93.1Very high114 Ų11445.3 Ų45.350%0.49622%0.22SC..SBendtrans-105-10.6174.7-76.2176.6-176.7171.20112.8Y214 P234Y214-K232 HydrophobicContact CD2-CG 4.42Å; Y214-K232 HydrophobicContact CE1-CD 4.29Å; Y214-K232 HydrophobicContact CE2-CB 4.18Å; Y214-K232 HydrophobicContact CE2-CD 4.04Å; Y214-K232 HydrophobicContact CE2-CG 3.66Å; K232-P234 WeakPolarHBondContact O-CD 3.44Å
233R89.6Confident93.1Very high65 Ų6544.3 Ų44.325%0.24521%0.21CC..  trans-127.558.4-173.6-66.6-169-88.7167.1-20.5110.8R172 F175 V213 T231 E235 E236R172-R233 PolarHBondContact O-NH1 3.35Å; F175-R233 VanDerWaalsContact CE1-CZ 3.47Å; F175-R233 VanDerWaalsContact CE1-NE 3.27Å; F175-R233 HydrophobicContact CZ-CG 4.43Å; V213-R233 PolarHBondContact O-NH2 3.46Å; T231-R233 PolarHBondContact OG1-N 3.15Å; R233-E235 VanDerWaalsContact C-OE2 3.23Å; R233-E235 WeakPolarHBondContact CA-OE1 3.25Å; R233-E235 WeakPolarHBondContact CA-OE2 3.47Å; R233-E235 PolarHBondContact O-N 3.43Å; R233-E236 HydrophobicContact CB-CB 4.3Å; R233-E236 HydrophobicContact CB-CG 4.21Å; R233-E236 WeakPolarHBondContact CD-OE2 3.35Å; R233-E236 IonicContact CZ-OE2 3.28Å; R233-E236 IonicContact NE-OE2 3.47Å; R233-E236 IonicContact NH1-OE2 3.53Å; R233-E236 PolarHBondContact NH1-OE2 3Å; R233-E236 PolarHBondContact O-N 2.95Å
234P91.1Very high93.1Very high50 Ų5045.1 Ų45.133%0.32521%0.213SC..G310 helixtrans-57-31.5-178.926.6-36.4000112.6T231 K232 E236 I237 L264 Y267T231-P234 HydrophobicContact CG2-CB 4.43Å; K232-P234 WeakPolarHBondContact O-CD 3.44Å; P234-E236 PolarHBondContact O-N 3.1Å; P234-I237 WeakPolarHBondContact O-CB 3.49Å; P234-I237 PolarHBondContact O-N 2.97Å; P234-L264 HydrophobicContact CB-CD1 3.44Å; P234-L264 VanDerWaalsContact CB-CD1 3.44Å; P234-Y267 WeakPolarHBondContact O-CE1 3.47Å
235E88.9Confident93.2Very high104 Ų10445.1 Ų45.149%0.48621%0.213SC..G310 helixtrans-65.3-18.217872.7-70.5167.300114.5R233 Y267R233-E235 VanDerWaalsContact C-OE2 3.23Å; R233-E235 WeakPolarHBondContact CA-OE1 3.25Å; R233-E235 WeakPolarHBondContact CA-OE2 3.47Å; R233-E235 PolarHBondContact O-N 3.43Å; E235-Y267 PolarHBondContact O-OH 3.02Å
236E89.3Confident93.4Very high22 Ų2237.7 Ų37.710%0.10319%0.185CC..G310 helixtrans-93-9.8178.2-62.8-161.2145.500113R172 R173 R233 P234 R238R172-E236 IonicContact NE-OE1 2.95Å; R172-E236 PolarHBondContact NE-OE1 2.6Å; R172-E236 IonicContact NH2-OE1 3.47Å; R173-E236 VanDerWaalsContact CD-O 3.25Å; R173-E236 WeakPolarHBondContact CD-O 3.37Å; R173-E236 HydrophobicContact CG-CB 4.11Å; R173-E236 PolarHBondContact NE-O 2.59Å; R233-E236 HydrophobicContact CB-CB 4.3Å; R233-E236 HydrophobicContact CB-CG 4.21Å; R233-E236 WeakPolarHBondContact CD-OE2 3.35Å; R233-E236 IonicContact CZ-OE2 3.28Å; R233-E236 IonicContact NE-OE2 3.47Å; R233-E236 IonicContact NH1-OE2 3.53Å; R233-E236 PolarHBondContact NH1-OE2 3Å; R233-E236 PolarHBondContact O-N 2.95Å; P234-E236 PolarHBondContact O-N 3.1Å; E236-R238 PolarHBondContact O-N 3.26Å
237I91.1Very high93.4Very high2 Ų232.5 Ų32.51%0.0116%0.157CC..  trans-70.2127178.5-61.2-176.3000109.8F177 T231 P234 L264 Y267 M268F177-I237 HydrophobicContact CE1-CD1 4.2Å; F177-I237 HydrophobicContact CZ-CD1 4.28Å; T231-I237 HydrophobicContact CG2-CD1 4.07Å; P234-I237 WeakPolarHBondContact O-CB 3.49Å; P234-I237 PolarHBondContact O-N 2.97Å; I237-L264 HydrophobicContact CD1-CD1 4.33Å; I237-Y267 HydrophobicContact CB-CE1 4.41Å; I237-M268 HydrophobicContact CG2-CG 4.07Å; I237-M268 HydrophobicContact CG2-SD 4.48Å
238R92.5Very high93.4Very high96 Ų9629.6 Ų29.636%0.36214%0.144SC..  trans-97.2178.4174.6-67.1-57.8-160.9-168.67.3111.1R173 E236 G240 G241 R271 D275R173-R238 VanDerWaalsContact CZ-NE 3.35Å; E236-R238 PolarHBondContact O-N 3.26Å; R238-G240 PolarHBondContact O-N 3.33Å; R238-G240 VanDerWaalsContact O-N 3.1Å; R238-G241 PolarHBondContact O-N 3.24Å; R238-R271 VanDerWaalsContact NH1-CZ 3.28Å; R238-D275 WeakPolarHBondContact CB-OD2 3.49Å
239G89.8Confident93.4Very high0 Ų028.9 Ų28.90%014%0.14CC..THydrogen-bonded Turntrans-54.5-32.7-178.200000114G241 L242 D275G239-G241 PolarHBondContact O-N 2.64Å; G239-L242 PolarHBondContact O-N 3.37Å; G239-D275 PolarHBondContact N-OD2 2.95Å
240G92.9Very high93.3Very high23 Ų2330.1 Ų30.124%0.23715%0.148CC..Hα-helixtrans-61.5-24.6173.800000114.5R238 L242 L243 K244R238-G240 PolarHBondContact O-N 3.33Å; R238-G240 VanDerWaalsContact O-N 3.1Å; G240-L242 VanDerWaalsContact C-N 3.28Å; G240-L242 PolarHBondContact O-N 3.27Å; G240-L243 WeakPolarHBondContact O-CB 3.49Å; G240-L243 PolarHBondContact O-N 3.29Å; G240-L243 VanDerWaalsContact O-N 3.1Å; G240-K244 PolarHBondContact O-N 3.4Å; G240-K244 VanDerWaalsContact O-N 3.1Å
241G94.8Very high93Very high0 Ų030.4 Ų30.40%015%0.147CC..Hα-helixtrans-65.5-28.4178.700000113.5R238 G239 L243 K244 Y245R238-G241 PolarHBondContact O-N 3.24Å; G239-G241 PolarHBondContact O-N 2.64Å; G241-L243 VanDerWaalsContact C-N 3.33Å; G241-K244 PolarHBondContact O-N 3.01Å; G241-Y245 VanDerWaalsContact O-CB 3.28Å; G241-Y245 WeakPolarHBondContact O-CB 3.49Å; G241-Y245 PolarHBondContact O-N 2.81Å
242L96.8Very high92.9Very high0 Ų034.5 Ų34.50%017%0.168CC..Hα-helixtrans-61.5-44171.4178.362.4000111.2G239 G240 Y245 C246 M268 F272 L308 V311 V312G239-L242 PolarHBondContact O-N 3.37Å; G240-L242 VanDerWaalsContact C-N 3.28Å; G240-L242 PolarHBondContact O-N 3.27Å; L242-Y245 PolarHBondContact O-N 3.5Å; L242-C246 PolarHBondContact O-N 2.98Å; L242-C246 PolarHBondContact O-SG 2.92Å; L242-M268 HydrophobicContact CB-CB 4.11Å; L242-M268 HydrophobicContact CD1-CB 4.16Å; L242-F272 HydrophobicContact CB-CB 4.38Å; L242-F272 HydrophobicContact CD2-CB 3.8Å; L242-F272 HydrophobicContact CD2-CD1 4.3Å; L242-F272 HydrophobicContact CD2-CD2 4.13Å; L242-F272 HydrophobicContact CD2-CG 3.82Å; L242-L308 HydrophobicContact CD2-CD1 3.99Å; L242-L308 HydrophobicContact CG-CD1 3.92Å; L242-V311 HydrophobicContact CD1-CG1 3.76Å; L242-V312 HydrophobicContact CD2-CG2 4.09Å
243L96.6Very high93.1Very high1 Ų129.2 Ų29.21%0.00515%0.145CC..Hα-helixtrans-64.6-44.9179.3-56-179000110.1G240 G241 Y245 C246 N247 F272 K285 V286 Y289 Y304 L308G240-L243 WeakPolarHBondContact O-CB 3.49Å; G240-L243 PolarHBondContact O-N 3.29Å; G240-L243 VanDerWaalsContact O-N 3.1Å; G241-L243 VanDerWaalsContact C-N 3.33Å; L243-Y245 PolarHBondContact O-N 3.17Å; L243-C246 PolarHBondContact O-N 3.01Å; L243-N247 WeakPolarHBondContact O-CB 3.28Å; L243-N247 PolarHBondContact O-N 3.31Å; L243-F272 HydrophobicContact CD2-CE2 4.05Å; L243-F272 HydrophobicContact CG-CE2 4.36Å; L243-K285 HydrophobicContact CD1-CG 3.97Å; L243-V286 HydrophobicContact CD2-CG2 4.21Å; L243-Y289 HydrophobicContact CB-CD1 4.42Å; L243-Y289 HydrophobicContact CB-CD2 3.82Å; L243-Y289 HydrophobicContact CB-CE1 4.39Å; L243-Y289 HydrophobicContact CB-CE2 3.78Å; L243-Y289 HydrophobicContact CB-CG 4.15Å; L243-Y289 HydrophobicContact CD1-CD2 3.91Å; L243-Y289 HydrophobicContact CD1-CG 4.13Å; L243-Y304 WeakPolarHBondContact CA-OH 3.24Å; L243-Y304 WeakPolarHBondContact CB-OH 3.28Å; L243-Y304 WeakPolarHBondContact CD2-OH 3.3Å; L243-Y304 WeakPolarHBondContact O-CE2 3.38Å; L243-Y304 PolarHBondContact O-OH 3.43Å; L243-L308 HydrophobicContact CD2-CD1 4.16Å; L243-L308 HydrophobicContact CD2-CD2 3.8Å
244K94.4Very high93.4Very high49 Ų4934.4 Ų34.421%0.21317%0.165CC..Hα-helixtrans-64.1-40.4176-168.2176.3-171.6161.10112.9E176 F177 D180 G240 G241 N247 L248 Y289E176-K244 HydrophobicContact CB-CD 4.25Å; E176-K244 WeakPolarHBondContact OE2-CD 3.48Å; E176-K244 IonicContact OE2-NZ 3.44Å; F177-K244 HydrophobicContact CD2-CD 4.1Å; F177-K244 HydrophobicContact CD2-CG 4.3Å; F177-K244 HydrophobicContact CE2-CB 4.26Å; F177-K244 HydrophobicContact CE2-CD 4.23Å; F177-K244 HydrophobicContact CE2-CG 4.18Å; D180-K244 IonicContact OD1-NZ 3.15Å; D180-K244 WeakPolarHBondContact OD2-CE 3.42Å; D180-K244 IonicContact OD2-NZ 3.21Å; D180-K244 PolarHBondContact OD2-NZ 3.32Å; G240-K244 PolarHBondContact O-N 3.4Å; G240-K244 VanDerWaalsContact O-N 3.1Å; G241-K244 PolarHBondContact O-N 3.01Å; K244-N247 VanDerWaalsContact O-CB 3.3Å; K244-N247 WeakPolarHBondContact O-CB 3.36Å; K244-N247 PolarHBondContact O-N 3.04Å; K244-N247 VanDerWaalsContact O-N 3.17Å; K244-L248 WeakPolarHBondContact O-CG 3.27Å; K244-L248 PolarHBondContact O-N 2.95Å; K244-Y289 WeakPolarHBondContact CA-OH 3.48Å
245Y96.3Very high93.6Very high3 Ų332.7 Ų32.71%0.01215%0.154CC..Hα-helixtrans-59.1-49.7174.6174.2-113.7000111.6F177 I229 G241 L242 L243 N247 L248 L249 P255 F261 E265 M268 V311F177-Y245 HydrophobicContact CZ-CD2 4.4Å; I229-Y245 HydrophobicContact CD1-CD2 3.86Å; I229-Y245 HydrophobicContact CD1-CE2 3.68Å; I229-Y245 HydrophobicContact CG2-CD2 4.21Å; I229-Y245 HydrophobicContact CG2-CE2 4.45Å; G241-Y245 VanDerWaalsContact O-CB 3.28Å; G241-Y245 WeakPolarHBondContact O-CB 3.49Å; G241-Y245 PolarHBondContact O-N 2.81Å; L242-Y245 PolarHBondContact O-N 3.5Å; L243-Y245 PolarHBondContact O-N 3.17Å; Y245-N247 PolarHBondContact O-N 2.95Å; Y245-L248 WeakPolarHBondContact O-CB 3.48Å; Y245-L248 PolarHBondContact O-N 2.86Å; Y245-L248 VanDerWaalsContact O-N 3.1Å; Y245-L249 HydrophobicContact CD1-CD1 4.07Å; Y245-L249 HydrophobicContact CE1-CD1 3.52Å; Y245-L249 HydrophobicContact CE1-CG 4.21Å; Y245-L249 HydrophobicContact CE2-CD1 4.37Å; Y245-L249 HydrophobicContact CE2-CD2 4.19Å; Y245-L249 HydrophobicContact CE2-CG 4.21Å; Y245-L249 WeakPolarHBondContact O-CG 3.28Å; Y245-L249 PolarHBondContact O-N 3.16Å; Y245-P255 HydrophobicContact CE2-CG 4.44Å; Y245-F261 HydrophobicContact CD2-CD1 4.29Å; Y245-F261 HydrophobicContact CD2-CE1 4.1Å; Y245-F261 AromaticContact CE2-CD1 3.51Å; Y245-F261 HydrophobicContact CE2-CD1 3.51Å; Y245-F261 AromaticContact CE2-CE1 3.68Å; Y245-F261 HydrophobicContact CE2-CE1 3.68Å; Y245-E265 HydrophobicContact CD1-CG 4.39Å; Y245-E265 HydrophobicContact CE1-CG 3.57Å; Y245-E265 VanDerWaalsContact CE1-OE1 3.27Å; Y245-E265 WeakPolarHBondContact CE1-OE1 3.35Å; Y245-E265 PolarHBondContact OH-OE1 3.47Å; Y245-M268 HydrophobicContact CD1-CE 3.52Å; Y245-M268 HydrophobicContact CD2-CE 4.02Å; Y245-M268 HydrophobicContact CE1-CE 4Å; Y245-M268 HydrophobicContact CE2-CE 4.46Å; Y245-M268 HydrophobicContact CG-CE 3.51Å; Y245-M268 HydrophobicContact CG-SD 4.13Å; Y245-V311 HydrophobicContact CE1-CG1 4.42Å; Y245-V311 HydrophobicContact CE1-CG2 4.27Å
246C96.8Very high93.9Very high0 Ų030.3 Ų30.30%015%0.152CC..Hα-helixtrans-62.7-31.5176.8-62.40000111.9L242 L243 L249 V250 Y304 I307 L308L242-C246 PolarHBondContact O-N 2.98Å; L242-C246 PolarHBondContact O-SG 2.92Å; L243-C246 PolarHBondContact O-N 3.01Å; C246-L249 PolarHBondContact O-N 3.38Å; C246-V250 PolarHBondContact O-N 3.11Å; C246-Y304 HydrophobicContact CB-CD2 4.19Å; C246-Y304 HydrophobicContact CB-CE2 3.68Å; C246-I307 HydrophobicContact CB-CG2 3.99Å; C246-L308 HydrophobicContact CB-CB 4.34Å; C246-L308 HydrophobicContact CB-CD1 4.47Å
247N93.9Very high94.1Very high4 Ų432 Ų322%0.02116%0.162CC..Hα-helixtrans-69.7-32.6176.1-164.332.3000113L243 K244 Y245 V250 R251 Y289 F294 Y304L243-N247 WeakPolarHBondContact O-CB 3.28Å; L243-N247 PolarHBondContact O-N 3.31Å; K244-N247 VanDerWaalsContact O-CB 3.3Å; K244-N247 WeakPolarHBondContact O-CB 3.36Å; K244-N247 PolarHBondContact O-N 3.04Å; K244-N247 VanDerWaalsContact O-N 3.17Å; Y245-N247 PolarHBondContact O-N 2.95Å; N247-V250 WeakPolarHBondContact O-CG1 3.35Å; N247-R251 WeakPolarHBondContact O-CD 3.33Å; N247-R251 WeakPolarHBondContact O-CG 3.47Å; N247-R251 PolarHBondContact OD1-NH1 2.99Å; N247-Y289 HydrophobicContact CB-CE1 3.97Å; N247-Y289 WeakPolarHBondContact CB-OH 3.26Å; N247-Y289 PolarHBondContact ND2-OH 3.26Å; N247-F294 VanDerWaalsContact OD1-CZ 3.28Å; N247-F294 WeakPolarHBondContact OD1-CZ 3.49Å; N247-Y304 HydrophobicContact CB-CD2 4.4Å; N247-Y304 HydrophobicContact CB-CE2 3.99Å
248L93.9Very high94.1Very high1 Ų137.1 Ų37.11%0.00519%0.186CC..Hα-helixtrans-70-43.9170.8-69.6172.7000110.5W84 F177 V179 I229 K244 Y245 V250 R251 F253W84-L248 HydrophobicContact CH2-CD2 3.43Å; W84-L248 VanDerWaalsContact CH2-CD2 3.43Å; W84-L248 HydrophobicContact CZ2-CD2 4.15Å; W84-L248 HydrophobicContact CZ3-CD2 4.12Å; F177-L248 HydrophobicContact CB-CD1 4.34Å; F177-L248 HydrophobicContact CD2-CD1 3.68Å; F177-L248 HydrophobicContact CE2-CD1 4.15Å; F177-L248 HydrophobicContact CG-CD1 3.96Å; V179-L248 HydrophobicContact CG2-CD1 4.08Å; V179-L248 HydrophobicContact CG2-CD2 3.82Å; I229-L248 HydrophobicContact CD1-CB 3.64Å; I229-L248 HydrophobicContact CD1-CD1 4.27Å; I229-L248 HydrophobicContact CG1-CB 4.12Å; I229-L248 HydrophobicContact CG1-CD1 4.17Å; I229-L248 HydrophobicContact CG2-CD1 3.89Å; K244-L248 WeakPolarHBondContact O-CG 3.27Å; K244-L248 PolarHBondContact O-N 2.95Å; Y245-L248 WeakPolarHBondContact O-CB 3.48Å; Y245-L248 PolarHBondContact O-N 2.86Å; Y245-L248 VanDerWaalsContact O-N 3.1Å; L248-V250 PolarHBondContact O-N 2.65Å; L248-R251 CarbonylContact O-C 3.59Å; L248-R251 WeakPolarHBondContact O-CA 3.33Å; L248-R251 PolarHBondContact O-N 2.76Å; L248-F253 HydrophobicContact CB-CB 3.97Å; L248-F253 HydrophobicContact CB-CG 4.31Å; L248-F253 HydrophobicContact CD2-CD1 4.35Å; L248-F253 HydrophobicContact CD2-CD2 4.2Å; L248-F253 HydrophobicContact CD2-CE2 4.42Å; L248-F253 HydrophobicContact CD2-CG 4.17Å; L248-F253 WeakPolarHBondContact O-CB 3.32Å; L248-F253 PolarHBondContact O-N 2.79Å; L248-F253 VanDerWaalsContact O-N 3.09Å
249L95.3Very high94Very high37 Ų3740.2 Ų40.219%0.19420%0.204CC..Hα-helixtrans-60.3-42.3178.7-69.1-178.7000113I229 Y245 C246 R251 D252 F253 I307 V311I229-L249 HydrophobicContact CD1-CD2 3.9Å; I229-L249 HydrophobicContact CD1-CG 4.38Å; Y245-L249 HydrophobicContact CD1-CD1 4.07Å; Y245-L249 HydrophobicContact CE1-CD1 3.52Å; Y245-L249 HydrophobicContact CE1-CG 4.21Å; Y245-L249 HydrophobicContact CE2-CD1 4.37Å; Y245-L249 HydrophobicContact CE2-CD2 4.19Å; Y245-L249 HydrophobicContact CE2-CG 4.21Å; Y245-L249 WeakPolarHBondContact O-CG 3.28Å; Y245-L249 PolarHBondContact O-N 3.16Å; C246-L249 PolarHBondContact O-N 3.38Å; L249-R251 PolarHBondContact O-N 3.47Å; L249-D252 PolarHBondContact O-N 3.32Å; L249-F253 WeakPolarHBondContact CD2-O 3.3Å; L249-I307 HydrophobicContact CB-CD1 4.36Å; L249-I307 HydrophobicContact CB-CG2 3.87Å; L249-I307 HydrophobicContact CD1-CG2 3.74Å; L249-I307 HydrophobicContact CG-CG2 4.48Å; L249-V311 HydrophobicContact CD1-CG2 4.15Å
250V93.6Very high94.1Very high27 Ų2746.3 Ų46.316%0.16423%0.232CC..THydrogen-bonded Turntrans-66.8-14.3177.378.80000112.7C246 N247 L248 F294 D303 Y304 I307C246-V250 PolarHBondContact O-N 3.11Å; N247-V250 WeakPolarHBondContact O-CG1 3.35Å; L248-V250 PolarHBondContact O-N 2.65Å; V250-F294 HydrophobicContact CG1-CE1 4.12Å; V250-F294 HydrophobicContact CG1-CZ 4.12Å; V250-D303 HydrophobicContact CG2-CB 3.73Å; V250-Y304 HydrophobicContact CG1-CD2 4.32Å; V250-I307 HydrophobicContact CB-CD1 3.66Å; V250-I307 HydrophobicContact CG2-CD1 3.92Å
251R90.9Very high94.1Very high13 Ų1345.6 Ų45.65%0.04922%0.223CC..THydrogen-bonded Turntrans-103.222.7178.1-70.3173.9163.369.42.4112.9N247 L248 L249 F253 E297N247-R251 WeakPolarHBondContact O-CD 3.33Å; N247-R251 WeakPolarHBondContact O-CG 3.47Å; N247-R251 PolarHBondContact OD1-NH1 2.99Å; L248-R251 CarbonylContact O-C 3.59Å; L248-R251 WeakPolarHBondContact O-CA 3.33Å; L248-R251 PolarHBondContact O-N 2.76Å; L249-R251 PolarHBondContact O-N 3.47Å; R251-F253 HydrophobicContact CB-CD2 4.06Å; R251-F253 HydrophobicContact CB-CE2 4.31Å; R251-F253 WeakPolarHBondContact O-CD2 3.22Å; R251-F253 PolarHBondContact O-N 3.14Å; R251-E297 IonicContact CZ-OE2 2.66Å; R251-E297 IonicContact NH2-OE1 3.78Å; R251-E297 PolarHBondContact NH2-OE1 3.44Å; R251-E297 VanDerWaalsContact NH2-OE1 3.15Å; R251-E297 IonicContact NH2-OE2 2.72Å; R251-E297 PolarHBondContact NH2-OE2 2.92Å
252D92.6Very high94Very high113 Ų11352.1 Ų52.160%0.60425%0.251SS*.THydrogen-bonded Turntrans64.817.5179-56.4-54.9000115.2K227 L249K227-D252 HydrophobicContact CD-CB 4.42Å; L249-D252 PolarHBondContact O-N 3.32Å
253F94.3Very high93.8Very high4 Ų454.4 Ų54.42%0.01827%0.27CS..  trans-73.5147.2168.8-72.1-108.6000110.8I82 W84 V179 K227 I229 L248 L249 R251I82-F253 HydrophobicContact CG2-CE2 4.13Å; I82-F253 HydrophobicContact CG2-CZ 3.61Å; W84-F253 HydrophobicContact CZ2-CE2 4.49Å; W84-F253 HydrophobicContact CZ2-CZ 4.44Å; V179-F253 HydrophobicContact CB-CE1 4.3Å; V179-F253 HydrophobicContact CG1-CD1 4.2Å; V179-F253 HydrophobicContact CG1-CE1 3.76Å; K227-F253 VanDerWaalsContact CA-CD1 3.44Å; K227-F253 HydrophobicContact CB-CD1 3.87Å; K227-F253 HydrophobicContact CB-CD2 4.36Å; K227-F253 HydrophobicContact CB-CE1 4.09Å; K227-F253 HydrophobicContact CB-CG 4Å; K227-F253 HydrophobicContact CB-CZ 4.43Å; K227-F253 HydrophobicContact CG-CE1 4.35Å; K227-F253 HydrophobicContact CG-CE2 4.37Å; K227-F253 HydrophobicContact CG-CZ 4.25Å; K227-F253 CarbonylContact O-C 3.59Å; K227-F253 WeakPolarHBondContact O-CA 3.48Å; I229-F253 HydrophobicContact CD1-CB 3.87Å; I229-F253 HydrophobicContact CG1-CB 3.58Å; I229-F253 HydrophobicContact CG1-CG 4.49Å; L248-F253 HydrophobicContact CB-CB 3.97Å; L248-F253 HydrophobicContact CB-CG 4.31Å; L248-F253 HydrophobicContact CD2-CD1 4.35Å; L248-F253 HydrophobicContact CD2-CD2 4.2Å; L248-F253 HydrophobicContact CD2-CE2 4.42Å; L248-F253 HydrophobicContact CD2-CG 4.17Å; L248-F253 WeakPolarHBondContact O-CB 3.32Å; L248-F253 PolarHBondContact O-N 2.79Å; L248-F253 VanDerWaalsContact O-N 3.09Å; L249-F253 WeakPolarHBondContact CD2-O 3.3Å; R251-F253 HydrophobicContact CB-CD2 4.06Å; R251-F253 HydrophobicContact CB-CE2 4.31Å; R251-F253 WeakPolarHBondContact O-CD2 3.22Å; R251-F253 PolarHBondContact O-N 3.14Å
254R95.6Very high93.7Very high174 Ų17455 Ų5566%0.65727%0.273SS*.EExtended strand (participates in β ladder)trans-126142.6-178.2-60.6-178.1-176.7-178.50.7110.7K227 L228 I229 A256K227-R254 PolarHBondContact O-N 3.19Å; L228-R254 CarbonylContact C-O 3.58Å; L228-R254 VanDerWaalsContact CA-O 3.3Å; L228-R254 WeakPolarHBondContact CA-O 3.5Å; I229-R254 PolarHBondContact N-O 3.29Å; R254-A256 PolarHBondContact O-N 3.1Å
255P96.4Very high93.8Very high13 Ų1353.8 Ų53.88%0.08427%0.268CS..EExtended strand (participates in β ladder)trans-48.1131.7168.3-3238.7000112.6Y245 N257 F261Y245-P255 HydrophobicContact CE2-CG 4.44Å; P255-N257 PolarHBondContact O-N 3.35Å; P255-F261 HydrophobicContact CB-CB 3.7Å; P255-F261 HydrophobicContact CB-CD1 3.96Å; P255-F261 HydrophobicContact CB-CD2 3.75Å; P255-F261 HydrophobicContact CB-CE2 4.36Å; P255-F261 HydrophobicContact CB-CG 3.51Å; P255-F261 HydrophobicContact CG-CB 3.92Å; P255-F261 HydrophobicContact CG-CD1 3.96Å; P255-F261 HydrophobicContact CG-CG 3.91Å
256A94.6Very high93.7Very high54 Ų5459.9 Ų59.945%0.44629%0.291SS..SBendtrans-62.8-33.7173.300000111.6L228 I229 A230 R254L228-A256 HydrophobicContact CB-CB 4.39Å; I229-A256 WeakPolarHBondContact O-CB 3.42Å; I229-A256 PolarHBondContact O-N 3.4Å; A230-A256 HydrophobicContact CB-CB 4.16Å; R254-A256 PolarHBondContact O-N 3.1Å
257N93.5Very high93.5Very high59 Ų5963.8 Ų63.832%0.31631%0.306SS..SBendtrans-133.9116.2171.8-176-24.7000110P255 E259 E260 F261P255-N257 PolarHBondContact O-N 3.35Å; N257-E259 PolarHBondContact O-N 3.15Å; N257-E259 PolarHBondContact OD1-N 2.91Å; N257-E260 HydrophobicContact CB-CB 4.14Å; N257-E260 HydrophobicContact CB-CG 4.24Å; N257-E260 VanDerWaalsContact ND2-CD 3.26Å; N257-E260 PolarHBondContact ND2-OE1 3.24Å; N257-E260 PolarHBondContact OD1-N 2.85Å; N257-F261 WeakPolarHBondContact O-CB 3.43Å; N257-F261 VanDerWaalsContact O-CD2 3.26Å; N257-F261 WeakPolarHBondContact O-CD2 3.21Å; N257-F261 PolarHBondContact O-N 2.83Å; N257-F261 VanDerWaalsContact O-N 3.12Å
258Q91Very high93.6Very high109 Ų10963.6 Ų63.651%0.50931%0.305SS..Hα-helixtrans-66.4-34-176.3-68.5-67.2-13.300113.5K262Q258-K262 WeakPolarHBondContact O-CG 3.4Å; Q258-K262 PolarHBondContact O-N 3.1Å
259E90.3Very high93.7Very high161 Ų16163.5 Ų63.575%0.75231%0.305SS*.Hα-helixtrans-74.1-44.8-177.1-64.9-173.917000111.4N257 F261 K262N257-E259 PolarHBondContact O-N 3.15Å; N257-E259 PolarHBondContact OD1-N 2.91Å; E259-F261 VanDerWaalsContact C-N 3.31Å; E259-F261 PolarHBondContact O-N 3.1Å; E259-K262 PolarHBondContact O-N 2.84Å
260E91.7Very high93.6Very high127 Ų12763.3 Ų63.359%0.59331%0.306SS*.Hα-helixtrans-62.3-40.6175.4-71.2172.6-159.400111.3N257 K262 A263 L264N257-E260 HydrophobicContact CB-CB 4.14Å; N257-E260 HydrophobicContact CB-CG 4.24Å; N257-E260 VanDerWaalsContact ND2-CD 3.26Å; N257-E260 PolarHBondContact ND2-OE1 3.24Å; N257-E260 PolarHBondContact OD1-N 2.85Å; E260-K262 VanDerWaalsContact C-N 3.32Å; E260-K262 PolarHBondContact O-N 3.1Å; E260-A263 WeakPolarHBondContact O-CA 3.42Å; E260-A263 WeakPolarHBondContact O-CB 3.31Å; E260-A263 PolarHBondContact O-N 3.21Å; E260-L264 PolarHBondContact O-N 3.5Å
261F93.4Very high93.6Very high9 Ų964.8 Ų64.84%0.03931%0.309CS..Hα-helixtrans-69.1-27.1-180-91.3-105.4000113.5F177 I229 Y245 P255 N257 E259 A263 L264 E265F177-F261 HydrophobicContact CE1-CE1 4.38Å; I229-F261 HydrophobicContact CB-CE1 3.96Å; I229-F261 HydrophobicContact CB-CZ 3.95Å; I229-F261 HydrophobicContact CG2-CE1 3.53Å; I229-F261 HydrophobicContact CG2-CZ 3.66Å; I229-F261 VanDerWaalsContact O-CE2 3.24Å; I229-F261 WeakPolarHBondContact O-CE2 3.5Å; I229-F261 WeakPolarHBondContact O-CZ 3.33Å; Y245-F261 HydrophobicContact CD2-CD1 4.29Å; Y245-F261 HydrophobicContact CD2-CE1 4.1Å; Y245-F261 AromaticContact CE2-CD1 3.51Å; Y245-F261 HydrophobicContact CE2-CD1 3.51Å; Y245-F261 AromaticContact CE2-CE1 3.68Å; Y245-F261 HydrophobicContact CE2-CE1 3.68Å; P255-F261 HydrophobicContact CB-CB 3.7Å; P255-F261 HydrophobicContact CB-CD1 3.96Å; P255-F261 HydrophobicContact CB-CD2 3.75Å; P255-F261 HydrophobicContact CB-CE2 4.36Å; P255-F261 HydrophobicContact CB-CG 3.51Å; P255-F261 HydrophobicContact CG-CB 3.92Å; P255-F261 HydrophobicContact CG-CD1 3.96Å; P255-F261 HydrophobicContact CG-CG 3.91Å; N257-F261 WeakPolarHBondContact O-CB 3.43Å; N257-F261 VanDerWaalsContact O-CD2 3.26Å; N257-F261 WeakPolarHBondContact O-CD2 3.21Å; N257-F261 PolarHBondContact O-N 2.83Å; N257-F261 VanDerWaalsContact O-N 3.12Å; E259-F261 VanDerWaalsContact C-N 3.31Å; E259-F261 PolarHBondContact O-N 3.1Å; F261-A263 VanDerWaalsContact C-N 3.25Å; F261-A263 PolarHBondContact O-N 2.93Å; F261-L264 HydrophobicContact CD1-CD2 4.11Å; F261-L264 HydrophobicContact CE1-CD2 3.83Å; F261-L264 HydrophobicContact CZ-CD2 4.04Å; F261-L264 CarbonylContact O-C 3.56Å; F261-L264 PolarHBondContact O-N 3.26Å; F261-L264 VanDerWaalsContact O-N 3.16Å; F261-E265 WeakPolarHBondContact O-CB 3.43Å; F261-E265 VanDerWaalsContact O-CG 3.31Å; F261-E265 WeakPolarHBondContact O-CG 3.38Å; F261-E265 PolarHBondContact O-N 2.75Å
262K92.9Very high93.9Very high137 Ų13764.3 Ų64.360%0.59631%0.308SS*.Hα-helixtrans-62.9-32.8168.5-74.5-179-179.3-179.20112.5Q258 E259 E260 R266Q258-K262 WeakPolarHBondContact O-CG 3.4Å; Q258-K262 PolarHBondContact O-N 3.1Å; E259-K262 PolarHBondContact O-N 2.84Å; E260-K262 VanDerWaalsContact C-N 3.32Å; E260-K262 PolarHBondContact O-N 3.1Å; K262-R266 WeakPolarHBondContact O-CG 3.48Å; K262-R266 PolarHBondContact O-NE 3.32Å; K262-R266 VanDerWaalsContact O-NE 3.11Å
263A92.6Very high93.9Very high47 Ų4759.6 Ų59.639%0.38828%0.282SS..Hα-helixtrans-72.8-41.6171.500000111.2E260 F261 R266 Y267E260-A263 WeakPolarHBondContact O-CA 3.42Å; E260-A263 WeakPolarHBondContact O-CB 3.31Å; E260-A263 PolarHBondContact O-N 3.21Å; F261-A263 VanDerWaalsContact C-N 3.25Å; F261-A263 PolarHBondContact O-N 2.93Å; A263-R266 PolarHBondContact O-N 2.71Å; A263-Y267 PolarHBondContact O-N 3.49Å; A263-Y267 VanDerWaalsContact O-N 3.1Å
264L94.2Very high93.9Very high14 Ų1464.2 Ų64.27%0.07331%0.306CS..Hα-helixtrans-65.5-38.5179.1-169.955.8000113T231 P234 I237 E260 F261 R266 Y267 M268T231-L264 HydrophobicContact CG2-CD2 3.6Å; P234-L264 HydrophobicContact CB-CD1 3.44Å; P234-L264 VanDerWaalsContact CB-CD1 3.44Å; I237-L264 HydrophobicContact CD1-CD1 4.33Å; E260-L264 PolarHBondContact O-N 3.5Å; F261-L264 HydrophobicContact CD1-CD2 4.11Å; F261-L264 HydrophobicContact CE1-CD2 3.83Å; F261-L264 HydrophobicContact CZ-CD2 4.04Å; F261-L264 CarbonylContact O-C 3.56Å; F261-L264 PolarHBondContact O-N 3.26Å; F261-L264 VanDerWaalsContact O-N 3.16Å; L264-R266 VanDerWaalsContact C-N 3.34Å; L264-R266 PolarHBondContact O-N 3.29Å; L264-Y267 HydrophobicContact CD1-CD1 4.31Å; L264-Y267 CarbonylContact O-C 3.51Å; L264-Y267 WeakPolarHBondContact O-CA 3.42Å; L264-Y267 WeakPolarHBondContact O-CB 3.32Å; L264-Y267 PolarHBondContact O-N 3.02Å; L264-Y267 VanDerWaalsContact O-N 3.14Å; L264-M268 HydrophobicContact CD1-CG 4.47Å; L264-M268 HydrophobicContact CG-CE 4.01Å; L264-M268 HydrophobicContact CG-CG 4.35Å; L264-M268 HydrophobicContact CG-SD 4.35Å; L264-M268 WeakPolarHBondContact O-CB 3.42Å; L264-M268 WeakPolarHBondContact O-CG 3.46Å; L264-M268 PolarHBondContact O-N 3.44Å
265E95.5Very high93.8Very high23 Ų2358.1 Ų58.111%0.10729%0.286CS..Hα-helixtrans-60.5-44.3174.8-76.8180-177.800111.4Y245 F261 Y267 M268 C269 V311 S315Y245-E265 HydrophobicContact CD1-CG 4.39Å; Y245-E265 HydrophobicContact CE1-CG 3.57Å; Y245-E265 VanDerWaalsContact CE1-OE1 3.27Å; Y245-E265 WeakPolarHBondContact CE1-OE1 3.35Å; Y245-E265 PolarHBondContact OH-OE1 3.47Å; F261-E265 WeakPolarHBondContact O-CB 3.43Å; F261-E265 VanDerWaalsContact O-CG 3.31Å; F261-E265 WeakPolarHBondContact O-CG 3.38Å; F261-E265 PolarHBondContact O-N 2.75Å; E265-Y267 VanDerWaalsContact C-N 3.26Å; E265-Y267 PolarHBondContact O-N 3.29Å; E265-M268 HydrophobicContact CG-CE 4.1Å; E265-M268 PolarHBondContact O-N 3.22Å; E265-C269 WeakPolarHBondContact O-CB 3.39Å; E265-C269 PolarHBondContact O-N 2.82Å; E265-C269 PolarHBondContact O-SG 2.74Å; E265-C269 VanDerWaalsContact O-SG 3.38Å; E265-V311 HydrophobicContact CB-CG1 4.29Å; E265-V311 HydrophobicContact CG-CG1 4.04Å; E265-S315 WeakPolarHBondContact CB-OG 3.27Å; E265-S315 PolarHBondContact OE2-OG 2.95Å
266R93.8Very high93.7Very high131 Ų13159.2 Ų59.249%0.49429%0.289SS..Hα-helixtrans-59.1-40.4174.2-69.9-179.8-75.4163.8-2.2111.5K262 A263 L264 S270 S315K262-R266 WeakPolarHBondContact O-CG 3.48Å; K262-R266 PolarHBondContact O-NE 3.32Å; K262-R266 VanDerWaalsContact O-NE 3.11Å; A263-R266 PolarHBondContact O-N 2.71Å; L264-R266 VanDerWaalsContact C-N 3.34Å; L264-R266 PolarHBondContact O-N 3.29Å; R266-S270 WeakPolarHBondContact O-CB 3.49Å; R266-S270 PolarHBondContact O-N 3.2Å; R266-S270 PolarHBondContact O-OG 2.9Å; R266-S315 WeakPolarHBondContact CA-O 3.35Å; R266-S315 VanDerWaalsContact CG-O 3.32Å; R266-S315 WeakPolarHBondContact CG-O 3.41Å
267Y94.3Very high93.6Very high82 Ų8261.1 Ų61.132%0.32230%0.297SS..Hα-helixtrans-65.4-48.7175.6179.6-90.9000111.8P234 E235 I237 A263 L264 E265 C269 S270 R271P234-Y267 WeakPolarHBondContact O-CE1 3.47Å; E235-Y267 PolarHBondContact O-OH 3.02Å; I237-Y267 HydrophobicContact CB-CE1 4.41Å; A263-Y267 PolarHBondContact O-N 3.49Å; A263-Y267 VanDerWaalsContact O-N 3.1Å; L264-Y267 HydrophobicContact CD1-CD1 4.31Å; L264-Y267 CarbonylContact O-C 3.51Å; L264-Y267 WeakPolarHBondContact O-CA 3.42Å; L264-Y267 WeakPolarHBondContact O-CB 3.32Å; L264-Y267 PolarHBondContact O-N 3.02Å; L264-Y267 VanDerWaalsContact O-N 3.14Å; E265-Y267 VanDerWaalsContact C-N 3.26Å; E265-Y267 PolarHBondContact O-N 3.29Å; Y267-C269 PolarHBondContact O-N 3.28Å; Y267-S270 PolarHBondContact O-N 3.11Å; Y267-R271 WeakPolarHBondContact O-CB 3.36Å; Y267-R271 PolarHBondContact O-N 3.29Å
268M95.8Very high93.6Very high0 Ų062 Ų620%030%0.302CS..Hα-helixtrans-62-43.7179.5-72.5-173.1-66.500112.1F177 I237 L242 Y245 L264 E265 R271 F272F177-M268 HydrophobicContact CZ-SD 4.16Å; I237-M268 HydrophobicContact CG2-CG 4.07Å; I237-M268 HydrophobicContact CG2-SD 4.48Å; L242-M268 HydrophobicContact CB-CB 4.11Å; L242-M268 HydrophobicContact CD1-CB 4.16Å; Y245-M268 HydrophobicContact CD1-CE 3.52Å; Y245-M268 HydrophobicContact CD2-CE 4.02Å; Y245-M268 HydrophobicContact CE1-CE 4Å; Y245-M268 HydrophobicContact CE2-CE 4.46Å; Y245-M268 HydrophobicContact CG-CE 3.51Å; Y245-M268 HydrophobicContact CG-SD 4.13Å; L264-M268 HydrophobicContact CD1-CG 4.47Å; L264-M268 HydrophobicContact CG-CE 4.01Å; L264-M268 HydrophobicContact CG-CG 4.35Å; L264-M268 HydrophobicContact CG-SD 4.35Å; L264-M268 WeakPolarHBondContact O-CB 3.42Å; L264-M268 WeakPolarHBondContact O-CG 3.46Å; L264-M268 PolarHBondContact O-N 3.44Å; E265-M268 HydrophobicContact CG-CE 4.1Å; E265-M268 PolarHBondContact O-N 3.22Å; M268-R271 PolarHBondContact O-N 3.05Å; M268-F272 WeakPolarHBondContact O-CB 3.34Å; M268-F272 PolarHBondContact O-N 2.88Å
269C95.1Very high93.8Very high0 Ų059.5 Ų59.50%029%0.292CS..Hα-helixtrans-59.7-48.4172.5-720000111.2E265 Y267 R271 F272 F273E265-C269 WeakPolarHBondContact O-CB 3.39Å; E265-C269 PolarHBondContact O-N 2.82Å; E265-C269 PolarHBondContact O-SG 2.74Å; E265-C269 VanDerWaalsContact O-SG 3.38Å; Y267-C269 PolarHBondContact O-N 3.28Å; C269-R271 VanDerWaalsContact C-N 3.32Å; C269-R271 PolarHBondContact O-N 3.08Å; C269-F272 WeakPolarHBondContact O-CB 3.35Å; C269-F272 PolarHBondContact O-N 3.37Å; C269-F273 WeakPolarHBondContact O-CD2 3.33Å; C269-F273 PolarHBondContact O-N 3.39Å; C269-F273 VanDerWaalsContact O-N 3.12Å
270S93.4Very high94.1Very high32 Ų3253 Ų5322%0.22427%0.267CS..Hα-helixtrans-60.4-43.4178.5-54.20000111.8R266 Y267 F272 F273 I274R266-S270 WeakPolarHBondContact O-CB 3.49Å; R266-S270 PolarHBondContact O-N 3.2Å; R266-S270 PolarHBondContact O-OG 2.9Å; Y267-S270 PolarHBondContact O-N 3.11Å; S270-F272 VanDerWaalsContact C-N 3.34Å; S270-F272 PolarHBondContact O-N 3.15Å; S270-F273 PolarHBondContact O-N 3.43Å; S270-I274 WeakPolarHBondContact O-CD1 3.42Å; S270-I274 VanDerWaalsContact O-CG1 3.24Å; S270-I274 WeakPolarHBondContact O-CG1 3.04Å; S270-I274 PolarHBondContact O-N 3.01Å
271R94.7Very high94.2Very high59 Ų5950.5 Ų50.522%0.22326%0.256CS..Hα-helixtrans-67.9-33.9178.1-160.470-139.71684.1112.5R238 Y267 M268 C269 I274 D275R238-R271 VanDerWaalsContact NH1-CZ 3.28Å; Y267-R271 WeakPolarHBondContact O-CB 3.36Å; Y267-R271 PolarHBondContact O-N 3.29Å; M268-R271 PolarHBondContact O-N 3.05Å; C269-R271 VanDerWaalsContact C-N 3.32Å; C269-R271 PolarHBondContact O-N 3.08Å; R271-I274 PolarHBondContact O-N 3.44Å; R271-D275 IonicContact CZ-OD1 2.93Å; R271-D275 IonicContact NE-OD1 3.93Å; R271-D275 PolarHBondContact NE-OD1 2.91Å; R271-D275 IonicContact NE-OD2 4Å; R271-D275 PolarHBondContact NE-OD2 3.2Å; R271-D275 IonicContact NH2-OD1 2.9Å; R271-D275 PolarHBondContact NH2-OD1 3.38Å; R271-D275 WeakPolarHBondContact O-CB 3.42Å; R271-D275 VanDerWaalsContact O-CG 3.28Å; R271-D275 PolarHBondContact O-N 3.36Å
272F95.6Very high94.4Very high3 Ų350.3 Ų50.31%0.01326%0.255CS..Hα-helixtrans-60.2-47.6173.2179.3-94.6000111.6L242 L243 M268 C269 S270 D275 F276 Q282 T327L242-F272 HydrophobicContact CB-CB 4.38Å; L242-F272 HydrophobicContact CD2-CB 3.8Å; L242-F272 HydrophobicContact CD2-CD1 4.3Å; L242-F272 HydrophobicContact CD2-CD2 4.13Å; L242-F272 HydrophobicContact CD2-CG 3.82Å; L243-F272 HydrophobicContact CD2-CE2 4.05Å; L243-F272 HydrophobicContact CG-CE2 4.36Å; M268-F272 WeakPolarHBondContact O-CB 3.34Å; M268-F272 PolarHBondContact O-N 2.88Å; C269-F272 WeakPolarHBondContact O-CB 3.35Å; C269-F272 PolarHBondContact O-N 3.37Å; S270-F272 VanDerWaalsContact C-N 3.34Å; S270-F272 PolarHBondContact O-N 3.15Å; F272-D275 PolarHBondContact O-N 3.42Å; F272-F276 AromaticContact CD2-CD2 3.63Å; F272-F276 HydrophobicContact CD2-CD2 3.63Å; F272-F276 AromaticContact CD2-CE2 4Å; F272-F276 HydrophobicContact CD2-CE2 4Å; F272-F276 AromaticContact CE2-CD2 3.68Å; F272-F276 HydrophobicContact CE2-CD2 3.68Å; F272-F276 HydrophobicContact CE2-CE2 4.15Å; F272-F276 HydrophobicContact CG-CD2 4.24Å; F272-F276 HydrophobicContact CZ-CD2 4.34Å; F272-F276 WeakPolarHBondContact O-CB 3.39Å; F272-F276 WeakPolarHBondContact O-CD2 3.32Å; F272-F276 PolarHBondContact O-N 2.84Å; F272-Q282 HydrophobicContact CE1-CB 4.4Å; F272-Q282 HydrophobicContact CE1-CG 3.78Å; F272-Q282 HydrophobicContact CZ-CB 4.2Å; F272-Q282 HydrophobicContact CZ-CG 3.93Å; F272-T327 HydrophobicContact CE1-CG2 4.44Å
273F93.8Very high94.5Very high13 Ų1347.4 Ų47.46%0.05724%0.243CC..Hα-helixtrans-69.1-33.7177.2-66.1-62.7000113.5C269 S270 F276 P277 V312 T316 M320 E323 T327C269-F273 WeakPolarHBondContact O-CD2 3.33Å; C269-F273 PolarHBondContact O-N 3.39Å; C269-F273 VanDerWaalsContact O-N 3.12Å; S270-F273 PolarHBondContact O-N 3.43Å; F273-F276 CarbonylContact O-C 3.54Å; F273-P277 VanDerWaalsContact O-CA 3.27Å; F273-P277 WeakPolarHBondContact O-CA 3.46Å; F273-V312 HydrophobicContact CZ-CG1 4.13Å; F273-T316 HydrophobicContact CE2-CG2 3.76Å; F273-T316 HydrophobicContact CZ-CG2 4.41Å; F273-M320 HydrophobicContact CB-SD 3.89Å; F273-M320 HydrophobicContact CD2-CE 3.61Å; F273-M320 HydrophobicContact CD2-SD 3.82Å; F273-M320 HydrophobicContact CE2-CE 4.23Å; F273-M320 HydrophobicContact CG-CE 4.45Å; F273-M320 HydrophobicContact CG-SD 4.08Å; F273-E323 HydrophobicContact CD1-CB 4.28Å; F273-E323 HydrophobicContact CE1-CB 4.25Å; F273-T327 HydrophobicContact CE1-CG2 4.43Å; F273-T327 WeakPolarHBondContact CE1-OG1 3.34Å
274I93.2Very high94.7Very high102 Ų10252.3 Ų52.352%0.52325%0.252SS..Hα-helixtrans-68.1-42.7175.8-68.7163.5000111.2S270 R271S270-I274 WeakPolarHBondContact O-CD1 3.42Å; S270-I274 VanDerWaalsContact O-CG1 3.24Å; S270-I274 WeakPolarHBondContact O-CG1 3.04Å; S270-I274 PolarHBondContact O-N 3.01Å; R271-I274 PolarHBondContact O-N 3.44Å
275D94.4Very high94.7Very high45 Ų4556 Ų5624%0.24127%0.267CS..Hα-helixtrans-80.8-25.2-177.1-66.7-13.1000112R238 G239 R271 F272R238-D275 WeakPolarHBondContact CB-OD2 3.49Å; G239-D275 PolarHBondContact N-OD2 2.95Å; R271-D275 IonicContact CZ-OD1 2.93Å; R271-D275 IonicContact NE-OD1 3.93Å; R271-D275 PolarHBondContact NE-OD1 2.91Å; R271-D275 IonicContact NE-OD2 4Å; R271-D275 PolarHBondContact NE-OD2 3.2Å; R271-D275 IonicContact NH2-OD1 2.9Å; R271-D275 PolarHBondContact NH2-OD1 3.38Å; R271-D275 WeakPolarHBondContact O-CB 3.42Å; R271-D275 VanDerWaalsContact O-CG 3.28Å; R271-D275 PolarHBondContact O-N 3.36Å; F272-D275 PolarHBondContact O-N 3.42Å
276F94.5Very high94.8Very high36 Ų3655 Ų5516%0.15826%0.263CS..  trans-132.573.7178.4-46.7-63.3000110.9F272 F273 Q282 K285F272-F276 AromaticContact CD2-CD2 3.63Å; F272-F276 HydrophobicContact CD2-CD2 3.63Å; F272-F276 AromaticContact CD2-CE2 4Å; F272-F276 HydrophobicContact CD2-CE2 4Å; F272-F276 AromaticContact CE2-CD2 3.68Å; F272-F276 HydrophobicContact CE2-CD2 3.68Å; F272-F276 HydrophobicContact CE2-CE2 4.15Å; F272-F276 HydrophobicContact CG-CD2 4.24Å; F272-F276 HydrophobicContact CZ-CD2 4.34Å; F272-F276 WeakPolarHBondContact O-CB 3.39Å; F272-F276 WeakPolarHBondContact O-CD2 3.32Å; F272-F276 PolarHBondContact O-N 2.84Å; F273-F276 CarbonylContact O-C 3.54Å; F276-Q282 HydrophobicContact CB-CG 3.88Å; F276-Q282 WeakPolarHBondContact O-CG 3.2Å; F276-Q282 PolarHBondContact O-NE2 2.86Å; F276-K285 HydrophobicContact CE1-CD 4.16Å; F276-K285 HydrophobicContact CE1-CG 4.19Å; F276-K285 HydrophobicContact CE2-CG 4.16Å; F276-K285 HydrophobicContact CZ-CD 4.06Å; F276-K285 HydrophobicContact CZ-CG 3.95Å
277P92.2Very high94.8Very high94 Ų9451.5 Ų51.561%0.6125%0.252SS*.  trans-71.7-30.1-17528.2-34.7000113F273F273-P277 VanDerWaalsContact O-CA 3.27Å; F273-P277 WeakPolarHBondContact O-CA 3.46Å
278D94.3Very high94.7Very high78 Ų7850 Ų5042%0.41726%0.256SS..SBendtrans-85.3140-178.7176.2-107.5000112.5G280 E281 Q282D278-G280 VanDerWaalsContact C-N 3.33Å; D278-G280 PolarHBondContact O-N 3.24Å; D278-G280 WeakPolarHBondContact OD1-CA 3.39Å; D278-G280 PolarHBondContact OD1-N 2.98Å; D278-E281 HydrophobicContact CB-CB 4.16Å; D278-E281 HydrophobicContact CB-CG 4.14Å; D278-E281 WeakPolarHBondContact O-CB 3.41Å; D278-E281 PolarHBondContact O-N 3.36Å; D278-E281 PolarHBondContact OD1-N 3.34Å; D278-Q282 WeakPolarHBondContact O-CG 3.47Å; D278-Q282 PolarHBondContact O-N 2.7Å
279I94.8Very high94.5Very high57 Ų5751.1 Ų51.129%0.29226%0.261SS..Hα-helixtrans-67.3-33.6-179-166.761.6000112.4Q282 Q283 Q326 L330I279-Q282 PolarHBondContact O-N 3.21Å; I279-Q283 WeakPolarHBondContact O-CB 3.49Å; I279-Q283 PolarHBondContact O-N 3.12Å; I279-Q326 HydrophobicContact CD1-CB 4.12Å; I279-L330 HydrophobicContact CD1-CB 4.05Å; I279-L330 HydrophobicContact CD1-CD2 3.63Å; I279-L330 HydrophobicContact CD1-CG 4.46Å; I279-L330 HydrophobicContact CG1-CD2 4.2Å
280G96.1Very high94.4Very high23 Ų2351.7 Ų51.724%0.23726%0.264CS..Hα-helixtrans-70.9-32.7175.600000112.4D278 R284D278-G280 VanDerWaalsContact C-N 3.33Å; D278-G280 PolarHBondContact O-N 3.24Å; D278-G280 WeakPolarHBondContact OD1-CA 3.39Å; D278-G280 PolarHBondContact OD1-N 2.98Å; G280-R284 WeakPolarHBondContact O-CB 3.38Å; G280-R284 WeakPolarHBondContact O-CG 3.45Å; G280-R284 PolarHBondContact O-N 3.4Å; G280-R284 VanDerWaalsContact O-N 3.1Å; G280-R284 PolarHBondContact O-NE 3.18Å
281E94.5Very high94.1Very high76 Ų7656.9 Ų56.936%0.35529%0.286SS..Hα-helixtrans-65.3-46.4168.1-77.4-176.8174.300112.3D278 Q283 R284 K285D278-E281 HydrophobicContact CB-CB 4.16Å; D278-E281 HydrophobicContact CB-CG 4.14Å; D278-E281 WeakPolarHBondContact O-CB 3.41Å; D278-E281 PolarHBondContact O-N 3.36Å; D278-E281 PolarHBondContact OD1-N 3.34Å; E281-Q283 VanDerWaalsContact C-N 3.34Å; E281-Q283 PolarHBondContact O-N 3.03Å; E281-R284 PolarHBondContact O-N 3.02Å; E281-K285 VanDerWaalsContact O-CB 3.31Å; E281-K285 WeakPolarHBondContact O-CB 3.42Å; E281-K285 PolarHBondContact O-N 3.37Å
282Q95.8Very high93.6Very high5 Ų556.5 Ų56.52%0.02329%0.293CS..Hα-helixtrans-58.5-46.7176.6-68.2173.22400111.2F272 F276 D278 I279 K285 V286 T327 L330F272-Q282 HydrophobicContact CE1-CB 4.4Å; F272-Q282 HydrophobicContact CE1-CG 3.78Å; F272-Q282 HydrophobicContact CZ-CB 4.2Å; F272-Q282 HydrophobicContact CZ-CG 3.93Å; F276-Q282 HydrophobicContact CB-CG 3.88Å; F276-Q282 WeakPolarHBondContact O-CG 3.2Å; F276-Q282 PolarHBondContact O-NE2 2.86Å; D278-Q282 WeakPolarHBondContact O-CG 3.47Å; D278-Q282 PolarHBondContact O-N 2.7Å; I279-Q282 PolarHBondContact O-N 3.21Å; Q282-K285 PolarHBondContact O-N 2.9Å; Q282-V286 WeakPolarHBondContact O-CG2 3.33Å; Q282-V286 PolarHBondContact O-N 2.88Å; Q282-T327 PolarHBondContact OE1-OG1 3.49Å; Q282-L330 HydrophobicContact CB-CD2 4.23Å
283Q96.6Very high93.2Very high75 Ų7558.7 Ų58.735%0.3530%0.303SS..Hα-helixtrans-56.4-56.5176.2178.5175.9-5.300111.2I279 E281 K285 V286 E287 L330I279-Q283 WeakPolarHBondContact O-CB 3.49Å; I279-Q283 PolarHBondContact O-N 3.12Å; E281-Q283 VanDerWaalsContact C-N 3.34Å; E281-Q283 PolarHBondContact O-N 3.03Å; Q283-K285 PolarHBondContact O-N 3.4Å; Q283-V286 PolarHBondContact O-N 3.46Å; Q283-E287 HydrophobicContact CG-CG 4.22Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.02Å; Q283-E287 PolarHBondContact NE2-OE1 3.39Å; Q283-E287 WeakPolarHBondContact O-CB 3.32Å; Q283-E287 WeakPolarHBondContact O-CG 3.37Å; Q283-E287 PolarHBondContact O-N 3.23Å; Q283-L330 HydrophobicContact CB-CD1 3.85Å; Q283-L330 HydrophobicContact CB-CD2 3.86Å; Q283-L330 HydrophobicContact CB-CG 4.48Å; Q283-L330 HydrophobicContact CG-CD1 3.9Å
284R95.9Very high92.9Very high151 Ų15158.1 Ų58.157%0.5730%0.3SS*.Hα-helixtrans-56.2-37.8179.4-76.6-178-71.5140.3-9.4111.8G280 E281 A288G280-R284 WeakPolarHBondContact O-CB 3.38Å; G280-R284 WeakPolarHBondContact O-CG 3.45Å; G280-R284 PolarHBondContact O-N 3.4Å; G280-R284 VanDerWaalsContact O-N 3.1Å; G280-R284 PolarHBondContact O-NE 3.18Å; E281-R284 PolarHBondContact O-N 3.02Å; R284-A288 WeakPolarHBondContact O-CB 3.42Å; R284-A288 PolarHBondContact O-N 3.28Å
285K95Very high92.4Very high91 Ų9157 Ų5740%0.39630%0.295SS..Hα-helixtrans-70.3-43.9-178.8-167.565.9179.2177.60112.3L243 F276 E281 Q282 Q283 Y289L243-K285 HydrophobicContact CD1-CG 3.97Å; F276-K285 HydrophobicContact CE1-CD 4.16Å; F276-K285 HydrophobicContact CE1-CG 4.19Å; F276-K285 HydrophobicContact CE2-CG 4.16Å; F276-K285 HydrophobicContact CZ-CD 4.06Å; F276-K285 HydrophobicContact CZ-CG 3.95Å; E281-K285 VanDerWaalsContact O-CB 3.31Å; E281-K285 WeakPolarHBondContact O-CB 3.42Å; E281-K285 PolarHBondContact O-N 3.37Å; Q282-K285 PolarHBondContact O-N 2.9Å; Q283-K285 PolarHBondContact O-N 3.4Å; K285-Y289 WeakPolarHBondContact O-CB 3.32Å; K285-Y289 PolarHBondContact O-N 3.35Å
286V96.4Very high91.8Very high2 Ų258.4 Ų58.41%0.01232%0.319CS..Hα-helixtrans-68.4-43.2177178.70000110.4L243 Q282 Q283 Y289 L290 L305 L308 L331 M334L243-V286 HydrophobicContact CD2-CG2 4.21Å; Q282-V286 WeakPolarHBondContact O-CG2 3.33Å; Q282-V286 PolarHBondContact O-N 2.88Å; Q283-V286 PolarHBondContact O-N 3.46Å; V286-Y289 WeakPolarHBondContact O-CB 3.44Å; V286-Y289 PolarHBondContact O-N 3.11Å; V286-L290 HydrophobicContact CG1-CD1 4.35Å; V286-L290 HydrophobicContact CG1-CG 4.48Å; V286-L290 WeakPolarHBondContact O-CG 3.24Å; V286-L290 PolarHBondContact O-N 2.96Å; V286-L305 HydrophobicContact CG1-CD2 3.83Å; V286-L308 HydrophobicContact CG1-CD2 4.33Å; V286-L308 HydrophobicContact CG2-CD2 4.21Å; V286-L331 HydrophobicContact CG1-CD2 4.22Å; V286-L331 HydrophobicContact CG2-CD2 4.39Å; V286-M334 HydrophobicContact CB-CE 3.95Å; V286-M334 HydrophobicContact CB-SD 4.25Å; V286-M334 HydrophobicContact CG1-CE 3.55Å; V286-M334 HydrophobicContact CG1-SD 4Å
287E94.8Very high91.3Very high58 Ų5858.8 Ų58.827%0.27132%0.322SS..Hα-helixtrans-58.8-49.9175.4-73.5175.9171.100111.4Q283 Y289 L290 M291 M334Q283-E287 HydrophobicContact CG-CG 4.22Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.02Å; Q283-E287 PolarHBondContact NE2-OE1 3.39Å; Q283-E287 WeakPolarHBondContact O-CB 3.32Å; Q283-E287 WeakPolarHBondContact O-CG 3.37Å; Q283-E287 PolarHBondContact O-N 3.23Å; E287-Y289 VanDerWaalsContact C-N 3.27Å; E287-Y289 PolarHBondContact O-N 3.28Å; E287-L290 PolarHBondContact O-N 3.26Å; E287-M291 WeakPolarHBondContact O-CG 3.47Å; E287-M291 PolarHBondContact O-N 3.31Å; E287-M334 HydrophobicContact CB-CE 4.41Å; E287-M334 HydrophobicContact CG-CE 3.48Å; E287-M334 VanDerWaalsContact CG-CE 3.48Å
288A91.6Very high90.8Very high49 Ų4957.8 Ų57.841%0.40531%0.309SS..Hα-helixtrans-59.5-39.4175.700000111.8R284 M291 S292R284-A288 WeakPolarHBondContact O-CB 3.42Å; R284-A288 PolarHBondContact O-N 3.28Å; A288-M291 PolarHBondContact O-N 3.44Å; A288-S292 PolarHBondContact O-N 2.94Å; A288-S292 PolarHBondContact O-OG 3.02Å
289Y92.4Very high90.3Very high25 Ų2561.6 Ų61.610%0.09832%0.322CS..Hα-helixtrans-63.2-44.7176.9-163.5-87.6000111.8L243 K244 N247 K285 V286 E287 S292 H293 F294 Y304L243-Y289 HydrophobicContact CB-CD1 4.42Å; L243-Y289 HydrophobicContact CB-CD2 3.82Å; L243-Y289 HydrophobicContact CB-CE1 4.39Å; L243-Y289 HydrophobicContact CB-CE2 3.78Å; L243-Y289 HydrophobicContact CB-CG 4.15Å; L243-Y289 HydrophobicContact CD1-CD2 3.91Å; L243-Y289 HydrophobicContact CD1-CG 4.13Å; K244-Y289 WeakPolarHBondContact CA-OH 3.48Å; N247-Y289 HydrophobicContact CB-CE1 3.97Å; N247-Y289 WeakPolarHBondContact CB-OH 3.26Å; N247-Y289 PolarHBondContact ND2-OH 3.26Å; K285-Y289 WeakPolarHBondContact O-CB 3.32Å; K285-Y289 PolarHBondContact O-N 3.35Å; V286-Y289 WeakPolarHBondContact O-CB 3.44Å; V286-Y289 PolarHBondContact O-N 3.11Å; E287-Y289 VanDerWaalsContact C-N 3.27Å; E287-Y289 PolarHBondContact O-N 3.28Å; Y289-S292 PolarHBondContact O-N 2.76Å; Y289-H293 HydrophobicContact CD1-CB 4.24Å; Y289-H293 AromaticContact CD1-ND1 3.76Å; Y289-H293 AromaticContact CD2-CE1 3.59Å; Y289-H293 AromaticContact CD2-ND1 3.62Å; Y289-H293 HydrophobicContact CE1-CB 3.95Å; Y289-H293 AromaticContact CE1-CG 3.74Å; Y289-H293 AromaticContact CE1-ND1 3.74Å; Y289-H293 AromaticContact CE2-CE1 3.33Å; Y289-H293 WeakPolarHBondContact CE2-CE1 3.42Å; Y289-H293 AromaticContact CE2-ND1 3.59Å; Y289-H293 AromaticContact CE2-NE2 3.73Å; Y289-H293 AromaticContact CG-ND1 3.69Å; Y289-H293 AromaticContact CZ-CD2 3.85Å; Y289-H293 AromaticContact CZ-CE1 3.69Å; Y289-H293 AromaticContact CZ-CG 3.75Å; Y289-H293 AromaticContact CZ-ND1 3.64Å; Y289-H293 AromaticContact CZ-NE2 3.79Å; Y289-H293 WeakPolarHBondContact O-CB 3.32Å; Y289-H293 PolarHBondContact O-N 3.09Å; Y289-H293 PolarHBondContact O-ND1 3.36Å; Y289-F294 HydrophobicContact CD1-CE2 4.31Å; Y289-F294 HydrophobicContact CE1-CE2 4.21Å; Y289-Y304 HydrophobicContact CD1-CE1 4.21Å; Y289-Y304 HydrophobicContact CD1-CE2 4.35Å; Y289-Y304 AromaticContact CD1-CZ 3.75Å; Y289-Y304 WeakPolarHBondContact CD1-OH 3.46Å; Y289-Y304 AromaticContact CE1-CE2 3.98Å; Y289-Y304 HydrophobicContact CE1-CE2 3.98Å; Y289-Y304 AromaticContact CE1-CZ 3.83Å
290L92.1Very high90.1Very high12 Ų1260.7 Ų60.76%0.06332%0.32CS..Hα-helixtrans-62.3-44.6176.6-70.3175.7000111.9V286 E287 S292 F294 K301 Y304 L305 M334V286-L290 HydrophobicContact CG1-CD1 4.35Å; V286-L290 HydrophobicContact CG1-CG 4.48Å; V286-L290 WeakPolarHBondContact O-CG 3.24Å; V286-L290 PolarHBondContact O-N 2.96Å; E287-L290 PolarHBondContact O-N 3.26Å; L290-S292 VanDerWaalsContact C-N 3.3Å; L290-S292 PolarHBondContact O-N 3.12Å; L290-F294 HydrophobicContact CD2-CD2 3.84Å; L290-F294 HydrophobicContact CD2-CE2 4.09Å; L290-F294 WeakPolarHBondContact O-CB 2.96Å; L290-F294 PolarHBondContact O-N 2.89Å; L290-K301 HydrophobicContact CD2-CB 4.15Å; L290-K301 HydrophobicContact CD2-CG 4.15Å; L290-Y304 HydrophobicContact CD2-CD1 3.57Å; L290-Y304 HydrophobicContact CD2-CE1 3.95Å; L290-L305 HydrophobicContact CD1-CD1 4.04Å; L290-L305 HydrophobicContact CD1-CD2 4.15Å; L290-L305 HydrophobicContact CD1-CG 4.24Å; L290-L305 HydrophobicContact CD2-CG 4.48Å; L290-M334 HydrophobicContact CD1-CE 3.95Å
291M87.5Confident89.9Confident141 Ų14160.9 Ų60.970%0.69532%0.315SS*.Hα-helixtrans-64.7-33.1178.7-71.2-17774.200112.6E287 A288 I295E287-M291 WeakPolarHBondContact O-CG 3.47Å; E287-M291 PolarHBondContact O-N 3.31Å; A288-M291 PolarHBondContact O-N 3.44Å; M291-I295 WeakPolarHBondContact O-CD1 3.45Å; M291-I295 WeakPolarHBondContact O-CG1 3.25Å
292S84.6Confident89.9Confident51 Ų5160.6 Ų60.636%0.35731%0.311SS..Hα-helixtrans-84.8-36.8178.1-60.80000113.3A288 Y289 L290A288-S292 PolarHBondContact O-N 2.94Å; A288-S292 PolarHBondContact O-OG 3.02Å; Y289-S292 PolarHBondContact O-N 2.76Å; L290-S292 VanDerWaalsContact C-N 3.3Å; L290-S292 PolarHBondContact O-N 3.12Å
293H86.8Confident89.8Confident49 Ų4963.6 Ų63.623%0.22733%0.327CS..Hα-helixtrans-104.9-1.8-168.6-61.581.7000114.8K87 Y289K87-H293 VanDerWaalsContact CE-O 3.26Å; K87-H293 WeakPolarHBondContact CE-O 3.36Å; K87-H293 VanDerWaalsContact NZ-C 3.31Å; K87-H293 PolarHBondContact NZ-O 2.96Å; Y289-H293 HydrophobicContact CD1-CB 4.24Å; Y289-H293 AromaticContact CD1-ND1 3.76Å; Y289-H293 AromaticContact CD2-CE1 3.59Å; Y289-H293 AromaticContact CD2-ND1 3.62Å; Y289-H293 HydrophobicContact CE1-CB 3.95Å; Y289-H293 AromaticContact CE1-CG 3.74Å; Y289-H293 AromaticContact CE1-ND1 3.74Å; Y289-H293 AromaticContact CE2-CE1 3.33Å; Y289-H293 WeakPolarHBondContact CE2-CE1 3.42Å; Y289-H293 AromaticContact CE2-ND1 3.59Å; Y289-H293 AromaticContact CE2-NE2 3.73Å; Y289-H293 AromaticContact CG-ND1 3.69Å; Y289-H293 AromaticContact CZ-CD2 3.85Å; Y289-H293 AromaticContact CZ-CE1 3.69Å; Y289-H293 AromaticContact CZ-CG 3.75Å; Y289-H293 AromaticContact CZ-ND1 3.64Å; Y289-H293 AromaticContact CZ-NE2 3.79Å; Y289-H293 WeakPolarHBondContact O-CB 3.32Å; Y289-H293 PolarHBondContact O-N 3.09Å; Y289-H293 PolarHBondContact O-ND1 3.36Å
294F87.5Confident89.8Confident0 Ų060 Ų600%031%0.31CS..  trans-136.632.6-177.2-63.8-92000112.5N247 V250 Y289 L290 G296 E297 K301 Y304N247-F294 VanDerWaalsContact OD1-CZ 3.28Å; N247-F294 WeakPolarHBondContact OD1-CZ 3.49Å; V250-F294 HydrophobicContact CG1-CE1 4.12Å; V250-F294 HydrophobicContact CG1-CZ 4.12Å; Y289-F294 HydrophobicContact CD1-CE2 4.31Å; Y289-F294 HydrophobicContact CE1-CE2 4.21Å; L290-F294 HydrophobicContact CD2-CD2 3.84Å; L290-F294 HydrophobicContact CD2-CE2 4.09Å; L290-F294 WeakPolarHBondContact O-CB 2.96Å; L290-F294 PolarHBondContact O-N 2.89Å; F294-G296 PolarHBondContact O-N 3.43Å; F294-E297 HydrophobicContact CB-CB 4.36Å; F294-E297 HydrophobicContact CD1-CB 4.32Å; F294-E297 PolarHBondContact O-N 3.47Å; F294-E297 VanDerWaalsContact O-N 3.11Å; F294-K301 HydrophobicContact CB-CD 4.13Å; F294-K301 HydrophobicContact CB-CG 3.36Å; F294-K301 HydrophobicContact CD1-CG 4.31Å; F294-K301 HydrophobicContact CG-CG 3.87Å; F294-K301 VanDerWaalsContact O-CE 3.26Å; F294-K301 WeakPolarHBondContact O-CE 3.28Å; F294-Y304 HydrophobicContact CE1-CG 4.36Å; F294-Y304 HydrophobicContact CE2-CD1 4.05Å; F294-Y304 AromaticContact CE2-CD2 3.96Å; F294-Y304 HydrophobicContact CE2-CD2 3.96Å; F294-Y304 HydrophobicContact CE2-CE1 4.45Å; F294-Y304 HydrophobicContact CE2-CE2 4.37Å; F294-Y304 AromaticContact CE2-CG 3.77Å; F294-Y304 HydrophobicContact CE2-CG 3.77Å; F294-Y304 VanDerWaalsContact CZ-CB 3.48Å; F294-Y304 HydrophobicContact CZ-CD1 4.19Å; F294-Y304 AromaticContact CZ-CD2 3.55Å; F294-Y304 HydrophobicContact CZ-CD2 3.55Å; F294-Y304 HydrophobicContact CZ-CE2 4.32Å; F294-Y304 AromaticContact CZ-CG 3.45Å; F294-Y304 HydrophobicContact CZ-CG 3.45Å; F294-Y304 VanDerWaalsContact CZ-CG 3.45Å
295I82.9Confident89.9Confident80 Ų8052.9 Ų52.941%0.4128%0.283SS..THydrogen-bonded Turntrans-63.7121.5173.5-60.5168.3000108.5M291 E297M291-I295 WeakPolarHBondContact O-CD1 3.45Å; M291-I295 WeakPolarHBondContact O-CG1 3.25Å; I295-E297 PolarHBondContact O-N 2.66Å
296G80.6Confident89.9Confident74 Ų7451.6 Ų51.676%0.76328%0.279SS*.THydrogen-bonded Turntrans75-0.9-176.300000115F294F294-G296 PolarHBondContact O-N 3.43Å
297E84.3Confident89.9Confident44 Ų4453.5 Ų53.521%0.20629%0.289CS..  trans-113.152.2-179.7-64.8-177.4-148.200111.4R251 F294 I295 K299 S300 K301R251-E297 IonicContact CZ-OE2 2.66Å; R251-E297 IonicContact NH2-OE1 3.78Å; R251-E297 PolarHBondContact NH2-OE1 3.44Å; R251-E297 VanDerWaalsContact NH2-OE1 3.15Å; R251-E297 IonicContact NH2-OE2 2.72Å; R251-E297 PolarHBondContact NH2-OE2 2.92Å; F294-E297 HydrophobicContact CB-CB 4.36Å; F294-E297 HydrophobicContact CD1-CB 4.32Å; F294-E297 PolarHBondContact O-N 3.47Å; F294-E297 VanDerWaalsContact O-N 3.11Å; I295-E297 PolarHBondContact O-N 2.66Å; E297-K299 VanDerWaalsContact C-N 3.32Å; E297-K299 PolarHBondContact O-N 2.95Å; E297-S300 WeakPolarHBondContact O-CB 3.33Å; E297-S300 PolarHBondContact O-N 2.88Å; E297-S300 VanDerWaalsContact O-N 3.11Å; E297-K301 PolarHBondContact O-N 2.72Å
298E83Confident90.1Very high72 Ų7250.9 Ų50.934%0.33628%0.276SS..Hα-helixtrans-56.8-43.7-173.7-65.1-54.3139.500112.7S300 K301 Q342E298-S300 VanDerWaalsContact C-N 3.31Å; E298-S300 PolarHBondContact O-N 2.95Å; E298-K301 VanDerWaalsContact O-CB 3.32Å; E298-K301 WeakPolarHBondContact O-CB 3.33Å; E298-K301 PolarHBondContact O-N 3.12Å; E298-K301 VanDerWaalsContact O-N 3.09Å; E298-K301 WeakPolarHBondContact OE1-CE 3.37Å; E298-K301 IonicContact OE1-NZ 3.17Å; E298-K301 PolarHBondContact OE1-NZ 3.37Å; E298-K301 WeakPolarHBondContact OE2-CD 3.26Å; E298-K301 VanDerWaalsContact OE2-CE 3.28Å; E298-K301 WeakPolarHBondContact OE2-CE 3.47Å; E298-K301 IonicContact OE2-NZ 2.66Å; E298-K301 PolarHBondContact OE2-NZ 3.43Å; E298-Q342 HydrophobicContact CB-CG 4.24Å; E298-Q342 PolarHBondContact O-NE2 3.45Å
299K83.6Confident90.4Very high159 Ų15952.5 Ų52.569%0.69127%0.272SS*.Hα-helixtrans-56.5-45.4177.8-172.8178.2177.9-178.20111.7E297 K301 Y302E297-K299 VanDerWaalsContact C-N 3.32Å; E297-K299 PolarHBondContact O-N 2.95Å; K299-K301 PolarHBondContact O-N 3.47Å; K299-Y302 PolarHBondContact O-N 3.11Å
300S89.7Confident90.6Very high37 Ų3756.9 Ų56.926%0.25929%0.292SS..Hα-helixtrans-65.7-24.3-179.8-52.50000113E297 E298 Y302 D303 Y304E297-S300 WeakPolarHBondContact O-CB 3.33Å; E297-S300 PolarHBondContact O-N 2.88Å; E297-S300 VanDerWaalsContact O-N 3.11Å; E298-S300 VanDerWaalsContact C-N 3.31Å; E298-S300 PolarHBondContact O-N 2.95Å; S300-Y302 VanDerWaalsContact C-N 3.32Å; S300-Y302 PolarHBondContact O-N 2.91Å; S300-D303 PolarHBondContact O-N 2.96Å; S300-Y304 VanDerWaalsContact O-CB 3.25Å; S300-Y304 WeakPolarHBondContact O-CB 3.43Å; S300-Y304 PolarHBondContact O-N 2.86Å
301K92.9Very high90.7Very high28 Ų2856.6 Ų56.612%0.12229%0.29CS..Hα-helixtrans-61.1-42.3174.8-66.7-174.9-172.3162.90111.7L290 F294 E297 E298 K299 L305 V338L290-K301 HydrophobicContact CD2-CB 4.15Å; L290-K301 HydrophobicContact CD2-CG 4.15Å; F294-K301 HydrophobicContact CB-CD 4.13Å; F294-K301 HydrophobicContact CB-CG 3.36Å; F294-K301 HydrophobicContact CD1-CG 4.31Å; F294-K301 HydrophobicContact CG-CG 3.87Å; F294-K301 VanDerWaalsContact O-CE 3.26Å; F294-K301 WeakPolarHBondContact O-CE 3.28Å; E297-K301 PolarHBondContact O-N 2.72Å; E298-K301 VanDerWaalsContact O-CB 3.32Å; E298-K301 WeakPolarHBondContact O-CB 3.33Å; E298-K301 PolarHBondContact O-N 3.12Å; E298-K301 VanDerWaalsContact O-N 3.09Å; E298-K301 WeakPolarHBondContact OE1-CE 3.37Å; E298-K301 IonicContact OE1-NZ 3.17Å; E298-K301 PolarHBondContact OE1-NZ 3.37Å; E298-K301 WeakPolarHBondContact OE2-CD 3.26Å; E298-K301 VanDerWaalsContact OE2-CE 3.28Å; E298-K301 WeakPolarHBondContact OE2-CE 3.47Å; E298-K301 IonicContact OE2-NZ 2.66Å; E298-K301 PolarHBondContact OE2-NZ 3.43Å; K299-K301 PolarHBondContact O-N 3.47Å; K301-L305 WeakPolarHBondContact O-CG 3.42Å; K301-L305 PolarHBondContact O-N 2.91Å; K301-V338 HydrophobicContact CB-CG1 3.89Å; K301-V338 HydrophobicContact CB-CG2 4.39Å
302Y93.4Very high91.1Very high69 Ų6950 Ų5027%0.27126%0.258SS..Hα-helixtrans-64.9-49.7178.4176.1-99.1000110.8K299 S300 Y304 L305 Q306 A335 L339K299-Y302 PolarHBondContact O-N 3.11Å; S300-Y302 VanDerWaalsContact C-N 3.32Å; S300-Y302 PolarHBondContact O-N 2.91Å; Y302-Y304 VanDerWaalsContact C-N 3.29Å; Y302-Y304 PolarHBondContact O-N 2.91Å; Y302-L305 PolarHBondContact O-N 3.44Å; Y302-L305 VanDerWaalsContact O-N 3.12Å; Y302-Q306 HydrophobicContact CD1-CG 4.15Å; Y302-Q306 HydrophobicContact CE1-CG 3.68Å; Y302-Q306 HydrophobicContact CE2-CG 4.12Å; Y302-Q306 VanDerWaalsContact CE2-NE2 3.3Å; Y302-Q306 VanDerWaalsContact CZ-NE2 3.33Å; Y302-Q306 WeakPolarHBondContact O-CG 3.49Å; Y302-Q306 PolarHBondContact O-N 3.39Å; Y302-Q306 PolarHBondContact OH-NE2 2.86Å; Y302-A335 HydrophobicContact CD2-CB 4.02Å; Y302-A335 HydrophobicContact CE2-CB 4.04Å; Y302-L339 HydrophobicContact CD1-CD2 4.46Å; Y302-L339 HydrophobicContact CD2-CD1 3.82Å; Y302-L339 HydrophobicContact CD2-CD2 3.73Å; Y302-L339 HydrophobicContact CD2-CG 3.49Å; Y302-L339 VanDerWaalsContact CD2-CG 3.49Å; Y302-L339 HydrophobicContact CE2-CD1 3.32Å; Y302-L339 HydrophobicContact CE2-CD2 3.95Å; Y302-L339 HydrophobicContact CE2-CG 3.58Å; Y302-L339 HydrophobicContact CG-CD2 3.98Å; Y302-L339 HydrophobicContact CG-CG 4.25Å
303D94.4Very high91.6Very high68 Ų6850.9 Ų50.936%0.36426%0.258SS..Hα-helixtrans-60.1-41.2-180-64.9-30.1000111.4V250 S300 Q306 I307V250-D303 HydrophobicContact CG2-CB 3.73Å; S300-D303 PolarHBondContact O-N 2.96Å; D303-Q306 PolarHBondContact O-N 2.63Å; D303-I307 WeakPolarHBondContact O-CG1 3.19Å; D303-I307 PolarHBondContact O-N 3.2Å
304Y96.4Very high92Very high0 Ų054.4 Ų54.40%028%0.275CS..Hα-helixtrans-60.6-46.4174171.4-95.4000112.4L243 C246 N247 V250 Y289 L290 F294 S300 Y302 Q306 I307 L308L243-Y304 WeakPolarHBondContact CA-OH 3.24Å; L243-Y304 WeakPolarHBondContact CB-OH 3.28Å; L243-Y304 WeakPolarHBondContact CD2-OH 3.3Å; L243-Y304 WeakPolarHBondContact O-CE2 3.38Å; L243-Y304 PolarHBondContact O-OH 3.43Å; C246-Y304 HydrophobicContact CB-CD2 4.19Å; C246-Y304 HydrophobicContact CB-CE2 3.68Å; N247-Y304 HydrophobicContact CB-CD2 4.4Å; N247-Y304 HydrophobicContact CB-CE2 3.99Å; V250-Y304 HydrophobicContact CG1-CD2 4.32Å; Y289-Y304 HydrophobicContact CD1-CE1 4.21Å; Y289-Y304 HydrophobicContact CD1-CE2 4.35Å; Y289-Y304 AromaticContact CD1-CZ 3.75Å; Y289-Y304 WeakPolarHBondContact CD1-OH 3.46Å; Y289-Y304 AromaticContact CE1-CE2 3.98Å; Y289-Y304 HydrophobicContact CE1-CE2 3.98Å; Y289-Y304 AromaticContact CE1-CZ 3.83Å; L290-Y304 HydrophobicContact CD2-CD1 3.57Å; L290-Y304 HydrophobicContact CD2-CE1 3.95Å; F294-Y304 HydrophobicContact CE1-CG 4.36Å; F294-Y304 HydrophobicContact CE2-CD1 4.05Å; F294-Y304 AromaticContact CE2-CD2 3.96Å; F294-Y304 HydrophobicContact CE2-CD2 3.96Å; F294-Y304 HydrophobicContact CE2-CE1 4.45Å; F294-Y304 HydrophobicContact CE2-CE2 4.37Å; F294-Y304 AromaticContact CE2-CG 3.77Å; F294-Y304 HydrophobicContact CE2-CG 3.77Å; F294-Y304 VanDerWaalsContact CZ-CB 3.48Å; F294-Y304 HydrophobicContact CZ-CD1 4.19Å; F294-Y304 AromaticContact CZ-CD2 3.55Å; F294-Y304 HydrophobicContact CZ-CD2 3.55Å; F294-Y304 HydrophobicContact CZ-CE2 4.32Å; F294-Y304 AromaticContact CZ-CG 3.45Å; F294-Y304 HydrophobicContact CZ-CG 3.45Å; F294-Y304 VanDerWaalsContact CZ-CG 3.45Å; S300-Y304 VanDerWaalsContact O-CB 3.25Å; S300-Y304 WeakPolarHBondContact O-CB 3.43Å; S300-Y304 PolarHBondContact O-N 2.86Å; Y302-Y304 VanDerWaalsContact C-N 3.29Å; Y302-Y304 PolarHBondContact O-N 2.91Å; Y304-Q306 VanDerWaalsContact C-N 3.31Å; Y304-Q306 PolarHBondContact O-N 3.29Å; Y304-I307 PolarHBondContact O-N 2.94Å; Y304-L308 HydrophobicContact CE1-CD2 4.18Å; Y304-L308 WeakPolarHBondContact O-CB 3.37Å; Y304-L308 PolarHBondContact O-N 3.19Å
305L97.1Very high92.2Very high1 Ų154.9 Ų54.91%0.00528%0.279CS..Hα-helixtrans-64.2-36.4178.2-75.2171.9000111.8V286 L290 K301 Y302 R309 L331 M334 A335 V338V286-L305 HydrophobicContact CG1-CD2 3.83Å; L290-L305 HydrophobicContact CD1-CD1 4.04Å; L290-L305 HydrophobicContact CD1-CD2 4.15Å; L290-L305 HydrophobicContact CD1-CG 4.24Å; L290-L305 HydrophobicContact CD2-CG 4.48Å; K301-L305 WeakPolarHBondContact O-CG 3.42Å; K301-L305 PolarHBondContact O-N 2.91Å; Y302-L305 PolarHBondContact O-N 3.44Å; Y302-L305 VanDerWaalsContact O-N 3.12Å; L305-R309 WeakPolarHBondContact O-CB 3.42Å; L305-R309 PolarHBondContact O-N 2.62Å; L305-L331 HydrophobicContact CD2-CD2 3.94Å; L305-M334 HydrophobicContact CD1-CB 3.99Å; L305-M334 HydrophobicContact CD2-CB 4.41Å; L305-A335 HydrophobicContact CB-CB 4.13Å; L305-A335 HydrophobicContact CD1-CB 4.14Å; L305-V338 HydrophobicContact CD1-CG2 4.09Å
306Q96.2Very high92.6Very high65 Ų6551.5 Ų51.530%0.30426%0.261SS..Hα-helixtrans-65.5-43.1174-68.6-57.5-29.200112Y302 D303 Y304 R309 K310Y302-Q306 HydrophobicContact CD1-CG 4.15Å; Y302-Q306 HydrophobicContact CE1-CG 3.68Å; Y302-Q306 HydrophobicContact CE2-CG 4.12Å; Y302-Q306 VanDerWaalsContact CE2-NE2 3.3Å; Y302-Q306 VanDerWaalsContact CZ-NE2 3.33Å; Y302-Q306 WeakPolarHBondContact O-CG 3.49Å; Y302-Q306 PolarHBondContact O-N 3.39Å; Y302-Q306 PolarHBondContact OH-NE2 2.86Å; D303-Q306 PolarHBondContact O-N 2.63Å; Y304-Q306 VanDerWaalsContact C-N 3.31Å; Y304-Q306 PolarHBondContact O-N 3.29Å; Q306-R309 PolarHBondContact O-N 3.25Å; Q306-K310 WeakPolarHBondContact O-CB 3.4Å; Q306-K310 PolarHBondContact O-N 3.38Å
307I97Very high92.7Very high42 Ų4251 Ų5122%0.21524%0.243CC..Hα-helixtrans-62.6-49.2175.5-71.9168.4000110.6C246 L249 V250 D303 Y304 R309 K310 V311C246-I307 HydrophobicContact CB-CG2 3.99Å; L249-I307 HydrophobicContact CB-CD1 4.36Å; L249-I307 HydrophobicContact CB-CG2 3.87Å; L249-I307 HydrophobicContact CD1-CG2 3.74Å; L249-I307 HydrophobicContact CG-CG2 4.48Å; V250-I307 HydrophobicContact CB-CD1 3.66Å; V250-I307 HydrophobicContact CG2-CD1 3.92Å; D303-I307 WeakPolarHBondContact O-CG1 3.19Å; D303-I307 PolarHBondContact O-N 3.2Å; Y304-I307 PolarHBondContact O-N 2.94Å; I307-R309 VanDerWaalsContact C-N 3.3Å; I307-R309 PolarHBondContact O-N 2.9Å; I307-K310 WeakPolarHBondContact O-CB 3.38Å; I307-K310 PolarHBondContact O-N 2.99Å; I307-K310 VanDerWaalsContact O-N 3.11Å; I307-V311 HydrophobicContact CG2-CG2 4.43Å; I307-V311 WeakPolarHBondContact O-CG2 3.5Å; I307-V311 PolarHBondContact O-N 2.89Å
308L97.8Very high91.9Very high3 Ų354.4 Ų54.42%0.01627%0.271CS..Hα-helixtrans-58.6-44.4178.4179.559000111.2L242 L243 C246 V286 Y304 K310 V311 V312 L331L242-L308 HydrophobicContact CD2-CD1 3.99Å; L242-L308 HydrophobicContact CG-CD1 3.92Å; L243-L308 HydrophobicContact CD2-CD1 4.16Å; L243-L308 HydrophobicContact CD2-CD2 3.8Å; C246-L308 HydrophobicContact CB-CB 4.34Å; C246-L308 HydrophobicContact CB-CD1 4.47Å; V286-L308 HydrophobicContact CG1-CD2 4.33Å; V286-L308 HydrophobicContact CG2-CD2 4.21Å; Y304-L308 HydrophobicContact CE1-CD2 4.18Å; Y304-L308 WeakPolarHBondContact O-CB 3.37Å; Y304-L308 PolarHBondContact O-N 3.19Å; L308-K310 VanDerWaalsContact C-N 3.35Å; L308-K310 PolarHBondContact O-N 3.45Å; L308-V311 PolarHBondContact O-N 3.25Å; L308-V312 HydrophobicContact CD1-CG2 4.2Å; L308-V312 WeakPolarHBondContact O-CB 3.35Å; L308-V312 VanDerWaalsContact O-CG2 3.3Å; L308-V312 WeakPolarHBondContact O-CG2 3.13Å; L308-V312 PolarHBondContact O-N 2.94Å; L308-L331 HydrophobicContact CD2-CD1 4.29Å; L308-L331 HydrophobicContact CD2-CD2 3.71Å; L308-L331 HydrophobicContact CG-CD1 3.94Å; L308-L331 HydrophobicContact CG-CD2 4.26Å
309R97.3Very high91.1Very high83 Ų8358.7 Ų58.731%0.31330%0.296SS..Hα-helixtrans-61.1-42.5175.6-173.6-175.9176-75.8-4.7111.8L305 Q306 I307 N313 L328 L331 S332L305-R309 WeakPolarHBondContact O-CB 3.42Å; L305-R309 PolarHBondContact O-N 2.62Å; Q306-R309 PolarHBondContact O-N 3.25Å; I307-R309 VanDerWaalsContact C-N 3.3Å; I307-R309 PolarHBondContact O-N 2.9Å; R309-N313 VanDerWaalsContact O-CB 3.28Å; R309-N313 WeakPolarHBondContact O-CB 3.34Å; R309-N313 PolarHBondContact O-N 3.37Å; R309-L328 HydrophobicContact CB-CD2 4.48Å; R309-L328 HydrophobicContact CG-CD2 3.58Å; R309-L328 VanDerWaalsContact O-CD2 3.24Å; R309-L328 WeakPolarHBondContact O-CD2 3.34Å; R309-L331 HydrophobicContact CB-CB 4.27Å; R309-L331 HydrophobicContact CB-CD1 4.14Å; R309-L331 HydrophobicContact CG-CB 4.46Å; R309-S332 PolarHBondContact NE-OG 3.1Å
310K96.7Very high90.7Very high117 Ų11753 Ų5351%0.50927%0.272SS..Hα-helixtrans-61.8-51.5177.5-177.6-175.2174.5-173.30111.3Q306 I307 L308 V312 N313 E314Q306-K310 WeakPolarHBondContact O-CB 3.4Å; Q306-K310 PolarHBondContact O-N 3.38Å; I307-K310 WeakPolarHBondContact O-CB 3.38Å; I307-K310 PolarHBondContact O-N 2.99Å; I307-K310 VanDerWaalsContact O-N 3.11Å; L308-K310 VanDerWaalsContact C-N 3.35Å; L308-K310 PolarHBondContact O-N 3.45Å; K310-V312 PolarHBondContact O-N 3.05Å; K310-N313 WeakPolarHBondContact O-CB 3.36Å; K310-N313 PolarHBondContact O-N 3.29Å; K310-N313 VanDerWaalsContact O-N 3.12Å; K310-E314 WeakPolarHBondContact CE-OE1 3.35Å; K310-E314 WeakPolarHBondContact CE-OE2 3.31Å; K310-E314 HydrophobicContact CG-CG 4.43Å; K310-E314 WeakPolarHBondContact CG-OE1 3.46Å; K310-E314 WeakPolarHBondContact O-CG 3.27Å; K310-E314 PolarHBondContact O-N 2.97Å
311V96.1Very high90.3Very high6 Ų651.9 Ų51.94%0.03627%0.266CS..Hα-helixtrans-60.9-45.1180176.70000110.8L242 Y245 L249 E265 I307 L308 N313 E314 S315L242-V311 HydrophobicContact CD1-CG1 3.76Å; Y245-V311 HydrophobicContact CE1-CG1 4.42Å; Y245-V311 HydrophobicContact CE1-CG2 4.27Å; L249-V311 HydrophobicContact CD1-CG2 4.15Å; E265-V311 HydrophobicContact CB-CG1 4.29Å; E265-V311 HydrophobicContact CG-CG1 4.04Å; I307-V311 HydrophobicContact CG2-CG2 4.43Å; I307-V311 WeakPolarHBondContact O-CG2 3.5Å; I307-V311 PolarHBondContact O-N 2.89Å; L308-V311 PolarHBondContact O-N 3.25Å; V311-N313 VanDerWaalsContact C-N 3.31Å; V311-N313 PolarHBondContact O-N 3.05Å; V311-E314 PolarHBondContact O-N 2.93Å; V311-S315 VanDerWaalsContact O-CB 3.32Å; V311-S315 WeakPolarHBondContact O-CB 3.31Å; V311-S315 PolarHBondContact O-N 3.37Å
312V95.8Very high90Very high1 Ų155.5 Ų55.51%0.00628%0.283CS..Hα-helixtrans-62-38.9175.8172.30000111.5L242 F273 L308 K310 T316 R324 T327 L328L242-V312 HydrophobicContact CD2-CG2 4.09Å; F273-V312 HydrophobicContact CZ-CG1 4.13Å; L308-V312 HydrophobicContact CD1-CG2 4.2Å; L308-V312 WeakPolarHBondContact O-CB 3.35Å; L308-V312 VanDerWaalsContact O-CG2 3.3Å; L308-V312 WeakPolarHBondContact O-CG2 3.13Å; L308-V312 PolarHBondContact O-N 2.94Å; K310-V312 PolarHBondContact O-N 3.05Å; V312-T316 WeakPolarHBondContact O-CB 3.25Å; V312-T316 PolarHBondContact O-N 3.42Å; V312-T316 PolarHBondContact O-OG1 3.25Å; V312-R324 HydrophobicContact CG1-CG 4.49Å; V312-T327 HydrophobicContact CG1-CG2 4.4Å; V312-L328 HydrophobicContact CB-CD2 4.2Å; V312-L328 HydrophobicContact CG1-CD2 4.01Å; V312-L328 HydrophobicContact CG1-CG 4.34Å
313N95.1Very high89.8Confident70 Ų7055.8 Ų55.837%0.37429%0.287SS..Hα-helixtrans-67.6-45.8179.8-175.353000112.6R309 K310 V311 L328R309-N313 VanDerWaalsContact O-CB 3.28Å; R309-N313 WeakPolarHBondContact O-CB 3.34Å; R309-N313 PolarHBondContact O-N 3.37Å; K310-N313 WeakPolarHBondContact O-CB 3.36Å; K310-N313 PolarHBondContact O-N 3.29Å; K310-N313 VanDerWaalsContact O-N 3.12Å; V311-N313 VanDerWaalsContact C-N 3.31Å; V311-N313 PolarHBondContact O-N 3.05Å; N313-L328 HydrophobicContact CB-CD1 4.08Å; N313-L328 HydrophobicContact CB-CD2 3.88Å
314E93.4Very high89.7Confident123 Ų12355.8 Ų55.858%0.57528%0.282SS*.Hα-helixtrans-78.3-36.1-174.3-69.1176.2-176.600112.7K310 V311K310-E314 WeakPolarHBondContact CE-OE1 3.35Å; K310-E314 WeakPolarHBondContact CE-OE2 3.31Å; K310-E314 HydrophobicContact CG-CG 4.43Å; K310-E314 WeakPolarHBondContact CG-OE1 3.46Å; K310-E314 WeakPolarHBondContact O-CG 3.27Å; K310-E314 PolarHBondContact O-N 2.97Å; V311-E314 PolarHBondContact O-N 2.93Å
315S93.3Very high89.5Confident11 Ų1163 Ų638%0.07731%0.309CS..Hα-helixtrans-110.81.8-167.2-650000114.3E265 R266 V311E265-S315 WeakPolarHBondContact CB-OG 3.27Å; E265-S315 PolarHBondContact OE2-OG 2.95Å; R266-S315 WeakPolarHBondContact CA-O 3.35Å; R266-S315 VanDerWaalsContact CG-O 3.32Å; R266-S315 WeakPolarHBondContact CG-O 3.41Å; V311-S315 VanDerWaalsContact O-CB 3.32Å; V311-S315 WeakPolarHBondContact O-CB 3.31Å; V311-S315 PolarHBondContact O-N 3.37Å
316T89.8Confident89.4Confident8 Ų866.9 Ų66.95%0.04933%0.327CS..SBendtrans-80.6124.8170.8-60.80000111.5F273 V312 M320 R324F273-T316 HydrophobicContact CE2-CG2 3.76Å; F273-T316 HydrophobicContact CZ-CG2 4.41Å; V312-T316 WeakPolarHBondContact O-CB 3.25Å; V312-T316 PolarHBondContact O-N 3.42Å; V312-T316 PolarHBondContact O-OG1 3.25Å; T316-M320 HydrophobicContact CG2-CB 3.98Å; T316-M320 HydrophobicContact CG2-CE 4.03Å; T316-R324 HydrophobicContact CG2-CB 3.88Å; T316-R324 HydrophobicContact CG2-CG 4.08Å
317V82.9Confident89.3Confident63 Ų6363.9 Ų63.938%0.38231%0.314SS..  trans-65.1145.4-179.6-174.40000111.3L319 M320V317-L319 PolarHBondContact O-N 3.5Å; V317-M320 PolarHBondContact O-N 3.48Å
318C68.2Low89.3Confident117 Ų11762.7 Ų62.779%0.79131%0.307SS*.G310 helixtrans-53.9-24.8-174.6-58.90000115.3M320 G321C318-M320 PolarHBondContact O-N 3.26Å; C318-G321 PolarHBondContact O-N 2.89Å
319L65.9Low89.2Confident162 Ų16268.1 Ų68.185%0.84833%0.332SS*.G310 helixtrans-66.8-18.4179.5-68.7170.5000113.4V317V317-L319 PolarHBondContact O-N 3.5Å
320M75.6Confident89.2Confident38 Ų3864.9 Ų64.919%0.18732%0.321CS..G310 helixtrans-110.241.6179.7-63.8-176.2-62.700111.5F273 T316 V317 C318 H322 E323 R324F273-M320 HydrophobicContact CB-SD 3.89Å; F273-M320 HydrophobicContact CD2-CE 3.61Å; F273-M320 HydrophobicContact CD2-SD 3.82Å; F273-M320 HydrophobicContact CE2-CE 4.23Å; F273-M320 HydrophobicContact CG-CE 4.45Å; F273-M320 HydrophobicContact CG-SD 4.08Å; T316-M320 HydrophobicContact CG2-CB 3.98Å; T316-M320 HydrophobicContact CG2-CE 4.03Å; V317-M320 PolarHBondContact O-N 3.48Å; C318-M320 PolarHBondContact O-N 3.26Å; M320-H322 VanDerWaalsContact C-N 3.34Å; M320-H322 PolarHBondContact O-N 3.29Å; M320-E323 VanDerWaalsContact CA-OE2 3.25Å; M320-E323 WeakPolarHBondContact CA-OE2 3.49Å; M320-E323 HydrophobicContact CB-CB 4.46Å; M320-R324 WeakPolarHBondContact O-CB 3.49Å; M320-R324 PolarHBondContact O-N 3.44Å
321G81Confident89.2Confident14 Ų1459.4 Ų59.414%0.14430%0.298CS..Hα-helixtrans-67.6-30.5-172.700000114.3C318 R325C318-G321 PolarHBondContact O-N 2.89Å; G321-R325 WeakPolarHBondContact O-CG 3.14Å; G321-R325 VanDerWaalsContact O-CZ 3.27Å; G321-R325 PolarHBondContact O-N 3.05Å; G321-R325 PolarHBondContact O-NH1 3.38Å
322H87.2Confident89.1Confident105 Ų10561.2 Ų61.249%0.48631%0.311SS..Hα-helixtrans-76.9-51.1179.4179.879.2000110.8M320 R324 R325 Q326M320-H322 VanDerWaalsContact C-N 3.34Å; M320-H322 PolarHBondContact O-N 3.29Å; H322-R324 VanDerWaalsContact C-N 3.29Å; H322-R324 PolarHBondContact O-N 2.81Å; H322-R325 PolarHBondContact O-N 3.31Å; H322-Q326 PolarHBondContact CD2-OE1 3.33Å; H322-Q326 VanDerWaalsContact NE2-CD 3.26Å; H322-Q326 PolarHBondContact NE2-NE2 2.93Å; H322-Q326 VanDerWaalsContact NE2-NE2 3.17Å; H322-Q326 PolarHBondContact NE2-OE1 3.05Å; H322-Q326 PolarHBondContact O-N 3.39Å
323E88.3Confident89.1Confident74 Ų7465.8 Ų65.835%0.34634%0.335SS..Hα-helixtrans-55.7-47.2176.2-59.481.8175.300109.7F273 M320 R325 Q326 T327F273-E323 HydrophobicContact CD1-CB 4.28Å; F273-E323 HydrophobicContact CE1-CB 4.25Å; M320-E323 VanDerWaalsContact CA-OE2 3.25Å; M320-E323 WeakPolarHBondContact CA-OE2 3.49Å; M320-E323 HydrophobicContact CB-CB 4.46Å; E323-R325 VanDerWaalsContact C-N 3.33Å; E323-R325 PolarHBondContact O-N 3.47Å; E323-Q326 PolarHBondContact O-N 2.89Å; E323-T327 PolarHBondContact O-N 2.91Å; E323-T327 PolarHBondContact O-OG1 3.48Å; E323-T327 VanDerWaalsContact O-OG1 3.05Å
324R91.9Very high89.1Confident69 Ų6963.2 Ų63.226%0.2632%0.32SS..Hα-helixtrans-53-48.9174.3-174.5178.270.3168.6-3.5112V312 T316 M320 H322 T327 L328V312-R324 HydrophobicContact CG1-CG 4.49Å; T316-R324 HydrophobicContact CG2-CB 3.88Å; T316-R324 HydrophobicContact CG2-CG 4.08Å; M320-R324 WeakPolarHBondContact O-CB 3.49Å; M320-R324 PolarHBondContact O-N 3.44Å; H322-R324 VanDerWaalsContact C-N 3.29Å; H322-R324 PolarHBondContact O-N 2.81Å; R324-T327 PolarHBondContact O-N 3.36Å; R324-L328 HydrophobicContact CG-CD1 3.81Å; R324-L328 HydrophobicContact CG-CG 4.23Å; R324-L328 VanDerWaalsContact O-CB 3.32Å; R324-L328 WeakPolarHBondContact O-CB 3.5Å; R324-L328 WeakPolarHBondContact O-CG 3.34Å; R324-L328 PolarHBondContact O-N 3.43Å
325R93.3Very high89.1Confident152 Ų15257.5 Ų57.557%0.57429%0.294SS*.Hα-helixtrans-65-40.7-178.9-76.2-174.1-62.6-94.6-0.4111.9G321 H322 E323 H329G321-R325 WeakPolarHBondContact O-CG 3.14Å; G321-R325 VanDerWaalsContact O-CZ 3.27Å; G321-R325 PolarHBondContact O-N 3.05Å; G321-R325 PolarHBondContact O-NH1 3.38Å; H322-R325 PolarHBondContact O-N 3.31Å; E323-R325 VanDerWaalsContact C-N 3.33Å; E323-R325 PolarHBondContact O-N 3.47Å; R325-H329 WeakPolarHBondContact O-CB 3.5Å; R325-H329 PolarHBondContact O-N 2.96Å
326Q94.4Very high89Confident81 Ų8164.2 Ų64.238%0.37932%0.322SS..Hα-helixtrans-62.8-48.6177.1-70.8179.9-46.600111.3I279 H322 E323 H329 L330I279-Q326 HydrophobicContact CD1-CB 4.12Å; H322-Q326 PolarHBondContact CD2-OE1 3.33Å; H322-Q326 VanDerWaalsContact NE2-CD 3.26Å; H322-Q326 PolarHBondContact NE2-NE2 2.93Å; H322-Q326 VanDerWaalsContact NE2-NE2 3.17Å; H322-Q326 PolarHBondContact NE2-OE1 3.05Å; H322-Q326 PolarHBondContact O-N 3.39Å; E323-Q326 PolarHBondContact O-N 2.89Å; Q326-H329 PolarHBondContact O-N 2.85Å; Q326-L330 WeakPolarHBondContact O-CB 3.34Å; Q326-L330 PolarHBondContact O-N 2.79Å
327T95.1Very high89.1Confident3 Ų371 Ų712%0.01835%0.347CS..Hα-helixtrans-65.3-42.5178.8-520000111.9F272 F273 Q282 V312 E323 R324 H329 L330 L331F272-T327 HydrophobicContact CE1-CG2 4.44Å; F273-T327 HydrophobicContact CE1-CG2 4.43Å; F273-T327 WeakPolarHBondContact CE1-OG1 3.34Å; Q282-T327 PolarHBondContact OE1-OG1 3.49Å; V312-T327 HydrophobicContact CG1-CG2 4.4Å; E323-T327 PolarHBondContact O-N 2.91Å; E323-T327 PolarHBondContact O-OG1 3.48Å; E323-T327 VanDerWaalsContact O-OG1 3.05Å; R324-T327 PolarHBondContact O-N 3.36Å; T327-H329 VanDerWaalsContact C-N 3.28Å; T327-H329 PolarHBondContact O-N 3.17Å; T327-L330 WeakPolarHBondContact O-CB 3.32Å; T327-L330 PolarHBondContact O-N 2.93Å; T327-L331 HydrophobicContact CG2-CD1 4.15Å; T327-L331 HydrophobicContact CG2-CG 4.37Å; T327-L331 WeakPolarHBondContact O-CB 3.43Å; T327-L331 VanDerWaalsContact O-CG 3.26Å; T327-L331 WeakPolarHBondContact O-CG 3.26Å; T327-L331 PolarHBondContact O-N 3.24Å
328L96.1Very high89.5Confident16 Ų1668.4 Ų68.48%0.08433%0.331CS..Hα-helixtrans-62.1-36.9175.3-70.5176.1000112.1R309 V312 N313 R324 S332R309-L328 HydrophobicContact CB-CD2 4.48Å; R309-L328 HydrophobicContact CG-CD2 3.58Å; R309-L328 VanDerWaalsContact O-CD2 3.24Å; R309-L328 WeakPolarHBondContact O-CD2 3.34Å; V312-L328 HydrophobicContact CB-CD2 4.2Å; V312-L328 HydrophobicContact CG1-CD2 4.01Å; V312-L328 HydrophobicContact CG1-CG 4.34Å; N313-L328 HydrophobicContact CB-CD1 4.08Å; N313-L328 HydrophobicContact CB-CD2 3.88Å; R324-L328 HydrophobicContact CG-CD1 3.81Å; R324-L328 HydrophobicContact CG-CG 4.23Å; R324-L328 VanDerWaalsContact O-CB 3.32Å; R324-L328 WeakPolarHBondContact O-CB 3.5Å; R324-L328 WeakPolarHBondContact O-CG 3.34Å; R324-L328 PolarHBondContact O-N 3.43Å; L328-S332 PolarHBondContact O-N 3.35Å; L328-S332 VanDerWaalsContact O-N 3.09Å; L328-S332 PolarHBondContact O-OG 2.96Å; L328-S332 VanDerWaalsContact O-OG 3.06Å
329H96.4Very high90.4Very high117 Ų11765.7 Ų65.754%0.54231%0.309SS..Hα-helixtrans-67.3-47175.1-177.361.4000111.6R325 Q326 T327 L331 S332 L333R325-H329 WeakPolarHBondContact O-CB 3.5Å; R325-H329 PolarHBondContact O-N 2.96Å; Q326-H329 PolarHBondContact O-N 2.85Å; T327-H329 VanDerWaalsContact C-N 3.28Å; T327-H329 PolarHBondContact O-N 3.17Å; H329-L331 PolarHBondContact O-N 2.89Å; H329-S332 WeakPolarHBondContact O-CB 3.49Å; H329-S332 PolarHBondContact O-N 2.84Å; H329-L333 WeakPolarHBondContact O-CG 3.36Å; H329-L333 PolarHBondContact O-N 3.33Å
330L96.5Very high91.4Very high15 Ų1560.2 Ų60.28%0.07929%0.287CS..Hα-helixtrans-53.9-51.4174.2169.264.8000111.4I279 Q282 Q283 Q326 T327 S332 L333 M334I279-L330 HydrophobicContact CD1-CB 4.05Å; I279-L330 HydrophobicContact CD1-CD2 3.63Å; I279-L330 HydrophobicContact CD1-CG 4.46Å; I279-L330 HydrophobicContact CG1-CD2 4.2Å; Q282-L330 HydrophobicContact CB-CD2 4.23Å; Q283-L330 HydrophobicContact CB-CD1 3.85Å; Q283-L330 HydrophobicContact CB-CD2 3.86Å; Q283-L330 HydrophobicContact CB-CG 4.48Å; Q283-L330 HydrophobicContact CG-CD1 3.9Å; Q326-L330 WeakPolarHBondContact O-CB 3.34Å; Q326-L330 PolarHBondContact O-N 2.79Å; T327-L330 WeakPolarHBondContact O-CB 3.32Å; T327-L330 PolarHBondContact O-N 2.93Å; L330-S332 VanDerWaalsContact C-N 3.31Å; L330-S332 PolarHBondContact O-N 3.04Å; L330-L333 PolarHBondContact O-N 3.48Å; L330-L333 VanDerWaalsContact O-N 3.14Å; L330-M334 HydrophobicContact CD1-CG 4.1Å; L330-M334 HydrophobicContact CD1-SD 3.96Å; L330-M334 HydrophobicContact CG-SD 4.04Å; L330-M334 WeakPolarHBondContact O-CG 3.1Å; L330-M334 PolarHBondContact O-N 3.04Å
331L96.5Very high91.8Very high3 Ų363.2 Ų63.22%0.01630%0.3CS..Hα-helixtrans-61.9-38.1-179.8-67.3175.2000112.1V286 L305 L308 R309 T327 H329 M334 A335V286-L331 HydrophobicContact CG1-CD2 4.22Å; V286-L331 HydrophobicContact CG2-CD2 4.39Å; L305-L331 HydrophobicContact CD2-CD2 3.94Å; L308-L331 HydrophobicContact CD2-CD1 4.29Å; L308-L331 HydrophobicContact CD2-CD2 3.71Å; L308-L331 HydrophobicContact CG-CD1 3.94Å; L308-L331 HydrophobicContact CG-CD2 4.26Å; R309-L331 HydrophobicContact CB-CB 4.27Å; R309-L331 HydrophobicContact CB-CD1 4.14Å; R309-L331 HydrophobicContact CG-CB 4.46Å; T327-L331 HydrophobicContact CG2-CD1 4.15Å; T327-L331 HydrophobicContact CG2-CG 4.37Å; T327-L331 WeakPolarHBondContact O-CB 3.43Å; T327-L331 VanDerWaalsContact O-CG 3.26Å; T327-L331 WeakPolarHBondContact O-CG 3.26Å; T327-L331 PolarHBondContact O-N 3.24Å; H329-L331 PolarHBondContact O-N 2.89Å; L331-M334 PolarHBondContact O-N 3.32Å; L331-A335 WeakPolarHBondContact O-CB 3.47Å; L331-A335 PolarHBondContact O-N 3.17Å
332S95.3Very high91.6Very high44 Ų4466.2 Ų66.231%0.30831%0.311SS..Hα-helixtrans-63-43.3173.5-67.50000112.4R309 L328 H329 L330 A335 F336R309-S332 PolarHBondContact NE-OG 3.1Å; L328-S332 PolarHBondContact O-N 3.35Å; L328-S332 VanDerWaalsContact O-N 3.09Å; L328-S332 PolarHBondContact O-OG 2.96Å; L328-S332 VanDerWaalsContact O-OG 3.06Å; H329-S332 WeakPolarHBondContact O-CB 3.49Å; H329-S332 PolarHBondContact O-N 2.84Å; L330-S332 VanDerWaalsContact C-N 3.31Å; L330-S332 PolarHBondContact O-N 3.04Å; S332-A335 PolarHBondContact O-N 2.9Å; S332-F336 WeakPolarHBondContact O-CB 3.29Å; S332-F336 PolarHBondContact O-N 3Å
333L95.4Very high90.6Very high97 Ų9765.5 Ų65.551%0.50832%0.318SS..Hα-helixtrans-63.6-43.9177.4-70.8176000111.4H329 L330 A335 F336 R337H329-L333 WeakPolarHBondContact O-CG 3.36Å; H329-L333 PolarHBondContact O-N 3.33Å; L330-L333 PolarHBondContact O-N 3.48Å; L330-L333 VanDerWaalsContact O-N 3.14Å; L333-A335 PolarHBondContact O-N 3.42Å; L333-F336 PolarHBondContact O-N 2.91Å; L333-R337 PolarHBondContact O-N 3.06Å
334M95.2Very high89.3Confident16 Ų1665.1 Ų65.18%0.07933%0.327CS..Hα-helixtrans-61.7-43.4175.8-66.7179.37200111.5V286 E287 L290 L305 L330 L331 F336 R337 V338V286-M334 HydrophobicContact CB-CE 3.95Å; V286-M334 HydrophobicContact CB-SD 4.25Å; V286-M334 HydrophobicContact CG1-CE 3.55Å; V286-M334 HydrophobicContact CG1-SD 4Å; E287-M334 HydrophobicContact CB-CE 4.41Å; E287-M334 HydrophobicContact CG-CE 3.48Å; E287-M334 VanDerWaalsContact CG-CE 3.48Å; L290-M334 HydrophobicContact CD1-CE 3.95Å; L305-M334 HydrophobicContact CD1-CB 3.99Å; L305-M334 HydrophobicContact CD2-CB 4.41Å; L330-M334 HydrophobicContact CD1-CG 4.1Å; L330-M334 HydrophobicContact CD1-SD 3.96Å; L330-M334 HydrophobicContact CG-SD 4.04Å; L330-M334 WeakPolarHBondContact O-CG 3.1Å; L330-M334 PolarHBondContact O-N 3.04Å; L331-M334 PolarHBondContact O-N 3.32Å; M334-F336 VanDerWaalsContact C-N 3.35Å; M334-F336 PolarHBondContact O-N 2.88Å; M334-R337 WeakPolarHBondContact O-CB 3.19Å; M334-R337 PolarHBondContact O-N 3.42Å; M334-V338 WeakPolarHBondContact O-CG2 3.38Å; M334-V338 PolarHBondContact O-N 2.97Å
335A93.5Very high87.4Confident3 Ų368.3 Ų68.33%0.02535%0.348CS..Hα-helixtrans-64.4-39.917800000111.9Y302 L305 L331 S332 L333 V338 L339Y302-A335 HydrophobicContact CD2-CB 4.02Å; Y302-A335 HydrophobicContact CE2-CB 4.04Å; L305-A335 HydrophobicContact CB-CB 4.13Å; L305-A335 HydrophobicContact CD1-CB 4.14Å; L331-A335 WeakPolarHBondContact O-CB 3.47Å; L331-A335 PolarHBondContact O-N 3.17Å; S332-A335 PolarHBondContact O-N 2.9Å; L333-A335 PolarHBondContact O-N 3.42Å; A335-V338 PolarHBondContact O-N 3.29Å; A335-L339 WeakPolarHBondContact O-CG 3.44Å; A335-L339 PolarHBondContact O-N 3.41Å
336F91.6Very high85.3Confident151 Ų15166 Ų6666%0.66235%0.352SS*.Hα-helixtrans-63.5-41.7174.6-175.6-95.1000111.9S332 L333 M334 L339 A340S332-F336 WeakPolarHBondContact O-CB 3.29Å; S332-F336 PolarHBondContact O-N 3Å; L333-F336 PolarHBondContact O-N 2.91Å; M334-F336 VanDerWaalsContact C-N 3.35Å; M334-F336 PolarHBondContact O-N 2.88Å; F336-L339 PolarHBondContact O-N 3.21Å; F336-A340 WeakPolarHBondContact O-CB 3.41Å; F336-A340 PolarHBondContact O-N 2.96Å
337R91.6Very high83Confident150 Ų15067.8 Ų67.857%0.56637%0.365SS*.Hα-helixtrans-60.2-46.7175.6-178.5179174.7173.44111.8L333 M334 L339 A340 E341L333-R337 PolarHBondContact O-N 3.06Å; M334-R337 WeakPolarHBondContact O-CB 3.19Å; M334-R337 PolarHBondContact O-N 3.42Å; R337-L339 VanDerWaalsContact C-N 3.33Å; R337-L339 PolarHBondContact O-N 3.37Å; R337-A340 PolarHBondContact O-N 3.23Å; R337-E341 WeakPolarHBondContact CG-OE1 3.45Å; R337-E341 IonicContact CZ-OE1 3.71Å; R337-E341 IonicContact NE-OE1 2.88Å; R337-E341 PolarHBondContact NE-OE1 2.97Å; R337-E341 IonicContact NH2-OE1 3.68Å; R337-E341 WeakPolarHBondContact O-CG 3.5Å; R337-E341 PolarHBondContact O-N 2.93Å
338V89.9Confident80.9Confident10 Ų1071.4 Ų71.46%0.06140%0.395CS..Hα-helixtrans-59.9-42.5176.7170.20000111.3K301 L305 M334 A335 E341 Q342K301-V338 HydrophobicContact CB-CG1 3.89Å; K301-V338 HydrophobicContact CB-CG2 4.39Å; L305-V338 HydrophobicContact CD1-CG2 4.09Å; M334-V338 WeakPolarHBondContact O-CG2 3.38Å; M334-V338 PolarHBondContact O-N 2.97Å; A335-V338 PolarHBondContact O-N 3.29Å; V338-E341 PolarHBondContact O-N 3.14Å; V338-Q342 VanDerWaalsContact O-CG 3.31Å; V338-Q342 WeakPolarHBondContact O-CG 3.35Å; V338-Q342 PolarHBondContact O-N 2.9Å
339L87.7Confident78.8Confident59 Ų5974.1 Ų74.131%0.30942%0.415SS..Hα-helixtrans-64.1-40.2175.2-75.2175.9000112.7Y302 A335 F336 R337 Q342 S343Y302-L339 HydrophobicContact CD1-CD2 4.46Å; Y302-L339 HydrophobicContact CD2-CD1 3.82Å; Y302-L339 HydrophobicContact CD2-CD2 3.73Å; Y302-L339 HydrophobicContact CD2-CG 3.49Å; Y302-L339 VanDerWaalsContact CD2-CG 3.49Å; Y302-L339 HydrophobicContact CE2-CD1 3.32Å; Y302-L339 HydrophobicContact CE2-CD2 3.95Å; Y302-L339 HydrophobicContact CE2-CG 3.58Å; Y302-L339 HydrophobicContact CG-CD2 3.98Å; Y302-L339 HydrophobicContact CG-CG 4.25Å; A335-L339 WeakPolarHBondContact O-CG 3.44Å; A335-L339 PolarHBondContact O-N 3.41Å; F336-L339 PolarHBondContact O-N 3.21Å; R337-L339 VanDerWaalsContact C-N 3.33Å; R337-L339 PolarHBondContact O-N 3.37Å; L339-Q342 PolarHBondContact O-N 3.09Å; L339-S343 VanDerWaalsContact O-CB 3.29Å; L339-S343 WeakPolarHBondContact O-CB 3.46Å; L339-S343 PolarHBondContact O-N 3.03Å; L339-S343 PolarHBondContact O-OG 3.41Å
340A86.5Confident76.6Confident48 Ų4873.9 Ų73.940%0.39743%0.425SS..Hα-helixtrans-65.6-40.3177.900000111.4F336 R337 Q342 S343 A344F336-A340 WeakPolarHBondContact O-CB 3.41Å; F336-A340 PolarHBondContact O-N 2.96Å; R337-A340 PolarHBondContact O-N 3.23Å; A340-Q342 VanDerWaalsContact C-N 3.34Å; A340-S343 CarbonylContact O-C 3.47Å; A340-S343 PolarHBondContact O-N 3.42Å; A340-A344 WeakPolarHBondContact O-CB 3.37Å; A340-A344 PolarHBondContact O-N 3.17Å
341E84.4Confident74.2Confident100 Ų10076.5 Ų76.547%0.46744%0.442SS..Hα-helixtrans-65.3-35.6175.2-71.9170.5-173.500111.9R337 V338R337-E341 WeakPolarHBondContact CG-OE1 3.45Å; R337-E341 IonicContact CZ-OE1 3.71Å; R337-E341 IonicContact NE-OE1 2.88Å; R337-E341 PolarHBondContact NE-OE1 2.97Å; R337-E341 IonicContact NH2-OE1 3.68Å; R337-E341 WeakPolarHBondContact O-CG 3.5Å; R337-E341 PolarHBondContact O-N 2.93Å; V338-E341 PolarHBondContact O-N 3.14Å
342Q76.2Confident72.1Confident77 Ų7781 Ų8136%0.3647%0.47SS..Hα-helixtrans-73.1-33.7173.6-70.9173.216.900113.6E298 V338 L339 A340E298-Q342 HydrophobicContact CB-CG 4.24Å; E298-Q342 PolarHBondContact O-NE2 3.45Å; V338-Q342 VanDerWaalsContact O-CG 3.31Å; V338-Q342 WeakPolarHBondContact O-CG 3.35Å; V338-Q342 PolarHBondContact O-N 2.9Å; L339-Q342 PolarHBondContact O-N 3.09Å; A340-Q342 VanDerWaalsContact C-N 3.34Å
343S67.5Low70Confident91 Ų9184.1 Ų84.164%0.63649%0.49SS*.Hα-helixtrans-89.1-9-178.5-52.30000112.6L339 A340 I345L339-S343 VanDerWaalsContact O-CB 3.29Å; L339-S343 WeakPolarHBondContact O-CB 3.46Å; L339-S343 PolarHBondContact O-N 3.03Å; L339-S343 PolarHBondContact O-OG 3.41Å; A340-S343 CarbonylContact O-C 3.47Å; A340-S343 PolarHBondContact O-N 3.42Å; S343-I345 PolarHBondContact O-N 3.42Å; S343-I345 VanDerWaalsContact O-N 3.09Å
344A60.5Low67.8Low65 Ų6589.1 Ų89.154%0.53750%0.504SS..SBendtrans-61.1113.8171.900000107.8A340A340-A344 WeakPolarHBondContact O-CB 3.37Å; A340-A344 PolarHBondContact O-N 3.17Å
345I50.8Low65.9Low136 Ų13697 Ų9770%0.69753%0.534SS*.  trans-47.4131.4176-59.1165.2000107.6S343 D347S343-I345 PolarHBondContact O-N 3.42Å; S343-I345 VanDerWaalsContact O-N 3.09Å; I345-D347 PolarHBondContact O-N 3.12Å
346P50.3Low63.8Low103 Ų103105.5 Ų105.567%0.66957%0.573SS**SBendtrans-53.4136.2176.122.4-31.9000108.5A348P346-A348 PolarHBondContact O-N 3.33Å; P346-A348 VanDerWaalsContact O-N 3.13Å
347D46.6Very low62Low120 Ų120100.7 Ų100.764%0.64256%0.557SS**  trans-18.8110.3-180-175.610.6000112.8I345 S349 C350I345-D347 PolarHBondContact O-N 3.12Å; D347-S349 PolarHBondContact O-N 3.13Å; D347-S349 WeakPolarHBondContact OD1-CB 3.46Å; D347-S349 PolarHBondContact OD1-N 3.3Å; D347-S349 PolarHBondContact OD1-OG 3.09Å; D347-S349 PolarHBondContact OD2-OG 3.31Å; D347-C350 PolarHBondContact O-N 2.86Å; D347-C350 VanDerWaalsContact O-N 3.12Å
348A50.1Low60.2Low78 Ų7895 Ų9565%0.64554%0.543SS*.G310 helixtrans-61.4-3.9-176.200000113P346 C350P346-A348 PolarHBondContact O-N 3.33Å; P346-A348 VanDerWaalsContact O-N 3.13Å; A348-C350 PolarHBondContact O-N 2.64Å
349S53Low58.7Low73 Ų73101 Ų10151%0.5158%0.581SS.*G310 helixtrans-59.7-24.6168.970.70000113.8D347D347-S349 PolarHBondContact O-N 3.13Å; D347-S349 WeakPolarHBondContact OD1-CB 3.46Å; D347-S349 PolarHBondContact OD1-N 3.3Å; D347-S349 PolarHBondContact OD1-OG 3.09Å; D347-S349 PolarHBondContact OD2-OG 3.31Å
350C49.3Very low57.4Low113 Ų113107.1 Ų107.176%0.76460%0.602SS**G310 helixtrans-114.42.9-177.7-720000114.7D347 A348 T352D347-C350 PolarHBondContact O-N 2.86Å; D347-C350 VanDerWaalsContact O-N 3.12Å; A348-C350 PolarHBondContact O-N 2.64Å; C350-T352 PolarHBondContact O-N 3.25Å
351V47.2Very low55.9Low69 Ų69108.6 Ų108.642%0.41860%0.602SS.*  trans-90104.9-179.6-176.70000109.6C353V351-C353 PolarHBondContact O-N 3.37Å
352T52.6Low54.4Low98 Ų98114.5 Ų114.560%0.60162%0.62SS**  trans-78.4101.5168-470000108.9C350 Y354C350-T352 PolarHBondContact O-N 3.25Å; T352-Y354 HydrophobicContact CG2-CE2 4.4Å; T352-Y354 PolarHBondContact O-N 3.24Å
353C51Low53.3Low110 Ų110116.3 Ų116.374%0.74363%0.632SS**  trans-77.2111.4174.6-68.10000110.2V351 Y355V351-C353 PolarHBondContact O-N 3.37Å; C353-Y355 PolarHBondContact O-N 3.21Å
354Y49.4Very low52.6Low201 Ų201120.9 Ų120.979%0.78864%0.643SS**  trans-79.797.8168.6-66.2-82.3000109.3T352 Q356T352-Y354 HydrophobicContact CG2-CE2 4.4Å; T352-Y354 PolarHBondContact O-N 3.24Å; Y354-Q356 PolarHBondContact O-N 3.45Å
355Y54.2Low52.2Low182 Ų182125.5 Ų125.571%0.71466%0.659SS**  trans-76.4113.3169.1-171-98.8000108.9C353 P357C353-Y355 PolarHBondContact O-N 3.21Å; Y355-P357 WeakPolarHBondContact O-CD 3.45Å
356Q49Very low52.1Low181 Ų181125.4 Ų125.485%0.84665%0.654SS**  trans-87.3114.6169.4-126.3179.6-18.200108Y354Y354-Q356 PolarHBondContact O-N 3.45Å
357P54.7Low52.1Low50 Ų50125.6 Ų125.633%0.32566%0.657SS.*  trans-62.4147.8179.2-7.417000110.9Y355 I361Y355-P357 WeakPolarHBondContact O-CD 3.45Å; P357-I361 HydrophobicContact CB-CB 4.39Å; P357-I361 HydrophobicContact CB-CD1 4.16Å
358A54Low52.1Low32 Ų32124.8 Ų124.826%0.26465%0.653SS.*  trans-57.4142.4174.600000110.8Y360 I361A358-Y360 HydrophobicContact CB-CD1 3.93Å; A358-Y360 HydrophobicContact CB-CE1 3.38Å; A358-Y360 PolarHBondContact O-N 3.15Å; A358-I361 PolarHBondContact O-N 3.36Å; A358-I361 VanDerWaalsContact O-N 3.11Å
359P57Low51.8Low134 Ų134129.9 Ų129.987%0.8766%0.657SS**THydrogen-bonded Turntrans-61.5-1.8-165.114.8-27000117.2
360Y60.9Low51.5Low189 Ų189137.9 Ų137.974%0.74168%0.678SS**THydrogen-bonded Turntrans-97.3-5.1177.857.5-96.1000114.3A358 R362A358-Y360 HydrophobicContact CB-CD1 3.93Å; A358-Y360 HydrophobicContact CB-CE1 3.38Å; A358-Y360 PolarHBondContact O-N 3.15Å; Y360-R362 PolarHBondContact O-N 2.88Å
361I54.7Low51.2Low79 Ų79138 Ų13841%0.40568%0.675SS.*  trans-86102.3175.4-58.4176.7000108.6P357 A358P357-I361 HydrophobicContact CB-CB 4.39Å; P357-I361 HydrophobicContact CB-CD1 4.16Å; A358-I361 PolarHBondContact O-N 3.36Å; A358-I361 VanDerWaalsContact O-N 3.11Å
362R54.4Low50.8Low223 Ų223139.3 Ų139.384%0.84269%0.692SS**  trans-104.545177.4-70.3-171.3-179.5-174.60.9112.3Y360Y360-R362 PolarHBondContact O-N 2.88Å
363D52.4Low50Low115 Ų115141.6 Ų141.662%0.61570%0.701SS**  trans-91.8116173.1-81-32.4000110.6N365 F366D363-N365 PolarHBondContact O-N 2.96Å; D363-N365 VanDerWaalsContact O-N 3.15Å; D363-F366 HydrophobicContact CB-CD2 4.15Å
364H53.4Low49.8Very low188 Ų188144.5 Ų144.587%0.8770%0.704SS**THydrogen-bonded Turntrans-73.89.2178.8-80.615.5000114.5
365N51.8Low49.5Very low161 Ų161142.4 Ų142.486%0.86171%0.706SS**THydrogen-bonded Turntrans-126.629.5-178.1-87.7-10.1000113.7D363D363-N365 PolarHBondContact O-N 2.96Å; D363-N365 VanDerWaalsContact O-N 3.15Å
366F49.1Very low48.7Very low135 Ų135141.5 Ų141.559%0.59271%0.712SS**  trans-88.5109.3172.8-111.5-92.5000111.2D363D363-F366 HydrophobicContact CB-CD2 4.15Å
367S48.5Very low48.1Very low107 Ų107138.4 Ų138.475%0.74871%0.707SS**  trans-82.9112.4171.9-152.10000109.2Y369S367-Y369 PolarHBondContact O-N 2.79Å; S367-Y369 VanDerWaalsContact O-N 3.15Å
368N47.4Very low47.7Very low103 Ų103141.5 Ų141.555%0.55173%0.726SS**  trans-85.941.8-165.9-80.6-22.7000115.6
369Y43.8Very low46.8Very low185 Ų185150.4 Ų150.473%0.72575%0.753SS**  trans-130.8103177.7-58-76.5000111.3S367S367-Y369 PolarHBondContact O-N 2.79Å; S367-Y369 VanDerWaalsContact O-N 3.15Å
370Y46.8Very low45.8Very low241 Ų241150.6 Ų150.695%0.94575%0.745SS**  trans-94.9108.9160.5-111.6-88.1000108
371V43.1Very low44.8Very low116 Ų116147.3 Ų147.370%0.70375%0.747SS**  trans-90.6116.9165-179.90000106.2N373V371-N373 VanDerWaalsContact C-N 3.31Å; V371-N373 PolarHBondContact O-N 3.11Å
372A38.3Very low44Very low95 Ų95148.9 Ų148.979%0.78576%0.764SS**  trans-68.690.4175.100000109.1Q374A372-Q374 PolarHBondContact O-N 3.36Å
373N36.2Very low43Very low147 Ų147149.8 Ų149.879%0.78679%0.786SS**  trans-76.7121.4174.9-120.9-0.7000109.2V371 N375V371-N373 VanDerWaalsContact C-N 3.31Å; V371-N373 PolarHBondContact O-N 3.11Å; N373-N375 PolarHBondContact O-N 3.15Å
374Q46.1Very low42.6Very low171 Ų171151.6 Ų151.680%0.79979%0.794SS**SBendtrans-63.695.6173.9-68.6-178.7-7.200109.6A372A372-Q374 PolarHBondContact O-N 3.36Å
375N44.3Very low42Very low157 Ų157149.6 Ų149.684%0.8479%0.79SS**  trans178.688.5152.3-92.6-22.1000109.2N373N373-N375 PolarHBondContact O-N 3.15Å
376I36.8Very low41.4Very low163 Ų163149 Ų14984%0.83679%0.786SS**  trans-123.9116.7156-57.8179.5000106.7
377P35.7Very low41Very low115 Ų115149.8 Ų149.875%0.74780%0.798SS**  trans-65.6137.3175.2-923.2000109.9
378T46.6Very low40.5Very low116 Ų116152.5 Ų152.571%0.71280%0.801SS**  trans-48.9135.3154.543.40000110.3
379W36.3Very low40.1Very low219 Ų219155.8 Ų155.883%0.8382%0.817SS**  trans137.3103.2150.5-69.5111.1000115.5
380L35.9Very low39.8Very low138 Ų138153.7 Ų153.772%0.72382%0.824SS**  trans63.9163.8138.2-70169.5000121.5
381P39.9Very low39.2Very low120 Ų120147 Ų14778%0.77981%0.814SS**  cis-132176.110.835.3-13.9000116.9
382C36.7Very low38.9Very low111 Ų111149.6 Ų149.675%0.7582%0.824SS**  trans-54148.3169.8-570000113.9
383N34.3Very low39Very low243 Ų243154.5 Ų154.5100%1.29983%0.827SS**  trans-142.70133.3-97.1-18.8000109

Retrieved 383 of 383 residues in 1032.7 ms (Link to these results)

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