A0A5K4F8M2_SCHMA Loading...

MEG-14

AlphaFold DB , UniProt , Accession A0A5K4F8M2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 213 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
1M58.9Low72.9Confident205 Ų205105.7 Ų105.7100%1.0157%0.57SS**  0-40.50-63.9-171.190.900112.9T3M1-T3 PolarHBondContact O-N 3.4Å
2V69.5Low73.3Confident118 Ų118104.2 Ų104.272%0.71557%0.566SS**Hα-helixtrans-61.2-42.4-179.8-177.90000113.2I4 N5 V6V2-I4 PolarHBondContact O-N 3.39Å; V2-N5 PolarHBondContact O-N 2.99Å; V2-V6 HydrophobicContact CG1-CG2 4.49Å; V2-V6 WeakPolarHBondContact O-CG2 3.32Å; V2-V6 PolarHBondContact O-N 3.28Å; V2-V6 VanDerWaalsContact O-N 3.13Å
3T65Low73.8Confident85 Ų85102.1 Ų102.152%0.52156%0.564SS.*Hα-helixtrans-63.6-40.3-177.624.50000114.5M1 N5 V6 Y7 L213M1-T3 PolarHBondContact O-N 3.4Å; T3-N5 VanDerWaalsContact C-N 3.29Å; T3-N5 PolarHBondContact O-N 3.11Å; T3-V6 PolarHBondContact O-N 3.16Å; T3-Y7 PolarHBondContact O-N 3.47Å; T3-Y7 VanDerWaalsContact O-N 3.16Å; T3-L213 HydrophobicContact CG2-CD1 4.46Å
4I73.8Confident74Confident125 Ų12596.6 Ų96.664%0.64154%0.535SS*.Hα-helixtrans-63.2-40.6176.8-65.1169.4000110V2 Y7 T8V2-I4 PolarHBondContact O-N 3.39Å; I4-Y7 PolarHBondContact O-N 3.29Å; I4-T8 PolarHBondContact O-N 3.44Å; I4-T8 PolarHBondContact O-OG1 3.35Å
5N76Confident74.3Confident106 Ų10695.3 Ų95.357%0.56753%0.534SS*.Hα-helixtrans-68.7-36.7-177.3-145.2-15.9000112.1V2 T3 T8 C9V2-N5 PolarHBondContact O-N 2.99Å; T3-N5 VanDerWaalsContact C-N 3.29Å; T3-N5 PolarHBondContact O-N 3.11Å; N5-T8 WeakPolarHBondContact CA-OG1 3.33Å; N5-T8 PolarHBondContact O-OG1 3.42Å; N5-C9 WeakPolarHBondContact O-CB 3.37Å; N5-C9 PolarHBondContact O-N 3.29Å; N5-C9 PolarHBondContact O-SG 2.82Å
6V76.7Confident74.6Confident72 Ų7296.4 Ų96.444%0.43654%0.536SS..Hα-helixtrans-64.5-43.6173.2176.10000110.8V2 T3 T8 C9 I10V2-V6 HydrophobicContact CG1-CG2 4.49Å; V2-V6 WeakPolarHBondContact O-CG2 3.32Å; V2-V6 PolarHBondContact O-N 3.28Å; V2-V6 VanDerWaalsContact O-N 3.13Å; T3-V6 PolarHBondContact O-N 3.16Å; V6-T8 PolarHBondContact O-N 3.22Å; V6-C9 PolarHBondContact O-N 3.24Å; V6-I10 HydrophobicContact CG1-CD1 3.81Å; V6-I10 HydrophobicContact CG1-CG1 4.45Å; V6-I10 VanDerWaalsContact O-CG1 3.31Å; V6-I10 WeakPolarHBondContact O-CG1 3.28Å; V6-I10 PolarHBondContact O-N 2.76Å
7Y73.2Confident74.9Confident128 Ų12895.9 Ų95.950%0.50253%0.528SS..Hα-helixtrans-63.5-43.2179.3-125.5-84000112.3T3 I4 I10 L11 I209T3-Y7 PolarHBondContact O-N 3.47Å; T3-Y7 VanDerWaalsContact O-N 3.16Å; I4-Y7 PolarHBondContact O-N 3.29Å; Y7-I10 PolarHBondContact O-N 3.33Å; Y7-L11 WeakPolarHBondContact O-CB 3.43Å; Y7-L11 PolarHBondContact O-N 3.42Å; Y7-I209 HydrophobicContact CE2-CD1 4.44Å
8T77.9Confident75.1Confident68 Ų6892.9 Ų92.942%0.41751%0.513SS..Hα-helixtrans-64.7-39.8176.348.50000111.8I4 N5 V6 L11 V12I4-T8 PolarHBondContact O-N 3.44Å; I4-T8 PolarHBondContact O-OG1 3.35Å; N5-T8 WeakPolarHBondContact CA-OG1 3.33Å; N5-T8 PolarHBondContact O-OG1 3.42Å; V6-T8 PolarHBondContact O-N 3.22Å; T8-L11 PolarHBondContact O-N 2.85Å; T8-V12 WeakPolarHBondContact O-CB 3.42Å; T8-V12 VanDerWaalsContact O-CG2 3.25Å; T8-V12 WeakPolarHBondContact O-CG2 2.89Å; T8-V12 PolarHBondContact O-N 3.22Å
9C74.1Confident75.1Confident80 Ų8091 Ų9154%0.54151%0.507SS..Hα-helixtrans-62.4-43.8175.1-83.20000112.5N5 V6 V12 S13N5-C9 WeakPolarHBondContact O-CB 3.37Å; N5-C9 PolarHBondContact O-N 3.29Å; N5-C9 PolarHBondContact O-SG 2.82Å; V6-C9 PolarHBondContact O-N 3.24Å; C9-V12 PolarHBondContact O-N 3.38Å; C9-S13 WeakPolarHBondContact O-CB 3.31Å; C9-S13 PolarHBondContact O-N 2.97Å
10I77.6Confident75.3Confident57 Ų5792.8 Ų92.829%0.29251%0.509SS..Hα-helixtrans-63.7-45178.1-66.3166.2000110.3V6 Y7 V12 S13 T14 I201V6-I10 HydrophobicContact CG1-CD1 3.81Å; V6-I10 HydrophobicContact CG1-CG1 4.45Å; V6-I10 VanDerWaalsContact O-CG1 3.31Å; V6-I10 WeakPolarHBondContact O-CG1 3.28Å; V6-I10 PolarHBondContact O-N 2.76Å; Y7-I10 PolarHBondContact O-N 3.33Å; I10-V12 PolarHBondContact O-N 2.87Å; I10-S13 PolarHBondContact O-N 2.96Å; I10-T14 HydrophobicContact CG2-CG2 4.5Å; I10-T14 WeakPolarHBondContact O-CG2 2.89Å; I10-T14 PolarHBondContact O-N 3.2Å; I10-T14 PolarHBondContact O-OG1 2.95Å; I10-I201 HydrophobicContact CG2-CG2 3.79Å
11L78.7Confident75.2Confident119 Ų11990 Ų9062%0.62350%0.495SS*.Hα-helixtrans-64.5-40-179-165.973.9000112.4Y7 T8 T14 C15Y7-L11 WeakPolarHBondContact O-CB 3.43Å; Y7-L11 PolarHBondContact O-N 3.42Å; T8-L11 PolarHBondContact O-N 2.85Å; L11-T14 PolarHBondContact O-OG1 2.79Å; L11-C15 WeakPolarHBondContact O-CB 3.24Å; L11-C15 PolarHBondContact O-N 3.43Å; L11-C15 VanDerWaalsContact O-N 3.09Å
12V77.8Confident75.9Confident87 Ų8788.3 Ų88.353%0.52748%0.478SS..Hα-helixtrans-67-43.6175.5172.90000110.3T8 C9 I10 T14 C15 I16T8-V12 WeakPolarHBondContact O-CB 3.42Å; T8-V12 VanDerWaalsContact O-CG2 3.25Å; T8-V12 WeakPolarHBondContact O-CG2 2.89Å; T8-V12 PolarHBondContact O-N 3.22Å; C9-V12 PolarHBondContact O-N 3.38Å; I10-V12 PolarHBondContact O-N 2.87Å; V12-T14 PolarHBondContact O-N 3.41Å; V12-C15 PolarHBondContact O-N 3.49Å; V12-I16 HydrophobicContact CG1-CD1 3.83Å; V12-I16 HydrophobicContact CG1-CG1 4.49Å; V12-I16 VanDerWaalsContact O-CG1 3.31Å; V12-I16 WeakPolarHBondContact O-CG1 3.23Å; V12-I16 PolarHBondContact O-N 3.29Å
13S79.8Confident76Confident77 Ų7787.7 Ų87.754%0.53847%0.471SS..Hα-helixtrans-63-40.3179.1-171.90000112.6C9 I10 F17C9-S13 WeakPolarHBondContact O-CB 3.31Å; C9-S13 PolarHBondContact O-N 2.97Å; I10-S13 PolarHBondContact O-N 2.96Å; S13-F17 WeakPolarHBondContact O-CB 3.29Å; S13-F17 PolarHBondContact O-N 2.69Å; S13-F17 VanDerWaalsContact O-N 3.12Å
14T76.4Confident76.2Confident26 Ų2686.5 Ų86.516%0.1646%0.461CS..Hα-helixtrans-67.7-41.9176.2520000111.2I10 L11 V12 I16 F17 T18 I201I10-T14 HydrophobicContact CG2-CG2 4.5Å; I10-T14 WeakPolarHBondContact O-CG2 2.89Å; I10-T14 PolarHBondContact O-N 3.2Å; I10-T14 PolarHBondContact O-OG1 2.95Å; L11-T14 PolarHBondContact O-OG1 2.79Å; V12-T14 PolarHBondContact O-N 3.41Å; T14-I16 VanDerWaalsContact C-N 3.32Å; T14-I16 PolarHBondContact O-N 3.48Å; T14-F17 PolarHBondContact O-N 3.24Å; T14-T18 VanDerWaalsContact O-CG2 3.28Å; T14-T18 WeakPolarHBondContact O-CG2 3.25Å; T14-T18 PolarHBondContact O-N 2.88Å; T14-T18 PolarHBondContact O-OG1 2.79Å; T14-I201 HydrophobicContact CG2-CB 4.43Å; T14-I201 HydrophobicContact CG2-CD1 3.78Å; T14-I201 HydrophobicContact CG2-CG2 3.68Å
15C78.6Confident75.8Confident76 Ų7683.3 Ų83.351%0.51444%0.443SS..Hα-helixtrans-62.4-38.6179.5-1560000112.4L11 V12 T18 S19L11-C15 WeakPolarHBondContact O-CB 3.24Å; L11-C15 PolarHBondContact O-N 3.43Å; L11-C15 VanDerWaalsContact O-N 3.09Å; V12-C15 PolarHBondContact O-N 3.49Å; C15-T18 PolarHBondContact O-OG1 3.47Å; C15-T18 VanDerWaalsContact O-OG1 3.05Å; C15-S19 VanDerWaalsContact O-CB 3.31Å; C15-S19 WeakPolarHBondContact O-CB 3.5Å; C15-S19 PolarHBondContact O-N 3.32Å; C15-S19 VanDerWaalsContact O-N 3.09Å; C15-S19 PolarHBondContact O-OG 2.92Å
16I80Confident75.2Confident113 Ų11382.2 Ų82.258%0.57944%0.44SS*.Hα-helixtrans-66.2-44.9174-65.4166.5000110.5V12 T14 S19 F20V12-I16 HydrophobicContact CG1-CD1 3.83Å; V12-I16 HydrophobicContact CG1-CG1 4.49Å; V12-I16 VanDerWaalsContact O-CG1 3.31Å; V12-I16 WeakPolarHBondContact O-CG1 3.23Å; V12-I16 PolarHBondContact O-N 3.29Å; T14-I16 VanDerWaalsContact C-N 3.32Å; T14-I16 PolarHBondContact O-N 3.48Å; I16-S19 PolarHBondContact O-N 3.29Å; I16-F20 PolarHBondContact O-N 3.22Å
17F79.4Confident74.3Confident89 Ų8983.6 Ų83.639%0.3945%0.453SS..Hα-helixtrans-65.3-44.7-179.7-174.1-99000112.4S13 T14 S19 F20 V21 F194 I197S13-F17 WeakPolarHBondContact O-CB 3.29Å; S13-F17 PolarHBondContact O-N 2.69Å; S13-F17 VanDerWaalsContact O-N 3.12Å; T14-F17 PolarHBondContact O-N 3.24Å; F17-S19 VanDerWaalsContact C-N 3.31Å; F17-S19 PolarHBondContact O-N 3.2Å; F17-F20 PolarHBondContact O-N 3.3Å; F17-V21 HydrophobicContact CD1-CG2 4.22Å; F17-V21 HydrophobicContact CE1-CG2 3.84Å; F17-V21 HydrophobicContact CE2-CG2 4.41Å; F17-V21 HydrophobicContact CZ-CG2 3.95Å; F17-V21 WeakPolarHBondContact O-CG2 3.3Å; F17-V21 PolarHBondContact O-N 3.47Å; F17-F194 HydrophobicContact CE1-CD2 4.31Å; F17-I197 HydrophobicContact CE1-CD1 4.27Å; F17-I197 HydrophobicContact CZ-CD1 4.21Å
18T78.2Confident73.5Confident41 Ų4181.5 Ų81.525%0.25245%0.451SS..Hα-helixtrans-62.4-40.2176.659.60000111.7T14 C15 V21 Y22 F194T14-T18 VanDerWaalsContact O-CG2 3.28Å; T14-T18 WeakPolarHBondContact O-CG2 3.25Å; T14-T18 PolarHBondContact O-N 2.88Å; T14-T18 PolarHBondContact O-OG1 2.79Å; C15-T18 PolarHBondContact O-OG1 3.47Å; C15-T18 VanDerWaalsContact O-OG1 3.05Å; T18-V21 PolarHBondContact O-N 3.47Å; T18-Y22 WeakPolarHBondContact O-CB 3.22Å; T18-Y22 PolarHBondContact O-N 3.31Å; T18-F194 HydrophobicContact CG2-CE2 3.59Å; T18-F194 HydrophobicContact CG2-CZ 3.47Å; T18-F194 VanDerWaalsContact CG2-CZ 3.47Å
19S76.1Confident72.2Confident57 Ų5783.6 Ų83.640%0.39946%0.456SS..Hα-helixtrans-63.2-44.9175-60.20000111.9C15 I16 F17 Y22 N23C15-S19 VanDerWaalsContact O-CB 3.31Å; C15-S19 WeakPolarHBondContact O-CB 3.5Å; C15-S19 PolarHBondContact O-N 3.32Å; C15-S19 VanDerWaalsContact O-N 3.09Å; C15-S19 PolarHBondContact O-OG 2.92Å; I16-S19 PolarHBondContact O-N 3.29Å; F17-S19 VanDerWaalsContact C-N 3.31Å; F17-S19 PolarHBondContact O-N 3.2Å; S19-Y22 PolarHBondContact O-N 3.48Å; S19-N23 WeakPolarHBondContact O-CB 3.43Å; S19-N23 PolarHBondContact O-N 3.12Å; S19-N23 PolarHBondContact O-ND2 3.32Å
20F78.3Confident71.4Confident127 Ų12784.6 Ų84.656%0.55746%0.461SS*.Hα-helixtrans-61.9-45.1178.3-177.5-100.7000112I16 F17 N23 L24I16-F20 PolarHBondContact O-N 3.22Å; F17-F20 PolarHBondContact O-N 3.3Å; F20-N23 PolarHBondContact O-N 2.8Å; F20-L24 HydrophobicContact CD1-CD1 3.92Å; F20-L24 HydrophobicContact CD2-CD1 4.2Å; F20-L24 HydrophobicContact CE1-CD1 3.51Å; F20-L24 HydrophobicContact CE1-CD2 4.27Å; F20-L24 HydrophobicContact CE2-CD1 3.82Å; F20-L24 HydrophobicContact CG-CD1 4.26Å; F20-L24 HydrophobicContact CZ-CD1 3.46Å; F20-L24 VanDerWaalsContact CZ-CD1 3.46Å; F20-L24 WeakPolarHBondContact O-CD1 3.44Å; F20-L24 PolarHBondContact O-N 3.46Å
21V73.6Confident70.6Confident35 Ų3590 Ų9021%0.21249%0.485CS..Hα-helixtrans-64.7-43.1177.9174.60000111.3F17 T18 N23 L24 E25 F194F17-V21 HydrophobicContact CD1-CG2 4.22Å; F17-V21 HydrophobicContact CE1-CG2 3.84Å; F17-V21 HydrophobicContact CE2-CG2 4.41Å; F17-V21 HydrophobicContact CZ-CG2 3.95Å; F17-V21 WeakPolarHBondContact O-CG2 3.3Å; F17-V21 PolarHBondContact O-N 3.47Å; T18-V21 PolarHBondContact O-N 3.47Å; V21-N23 VanDerWaalsContact C-N 3.34Å; V21-N23 PolarHBondContact O-N 2.89Å; V21-L24 WeakPolarHBondContact O-CB 3.5Å; V21-L24 PolarHBondContact O-N 3.4Å; V21-E25 PolarHBondContact O-N 3.48Å; V21-F194 HydrophobicContact CB-CD2 4.37Å; V21-F194 HydrophobicContact CB-CE2 4.47Å; V21-F194 HydrophobicContact CG1-CD2 4.09Å; V21-F194 HydrophobicContact CG2-CD2 4.41Å
22Y73.7Confident69.3Low169 Ų16989.6 Ų89.666%0.66349%0.49SS*.Hα-helixtrans-61.1-43.3176.5-172.2-97.8000111.7T18 S19 L24 E25 V26T18-Y22 WeakPolarHBondContact O-CB 3.22Å; T18-Y22 PolarHBondContact O-N 3.31Å; S19-Y22 PolarHBondContact O-N 3.48Å; Y22-L24 VanDerWaalsContact C-N 3.32Å; Y22-L24 PolarHBondContact O-N 2.82Å; Y22-E25 PolarHBondContact O-N 2.8Å; Y22-V26 HydrophobicContact CD1-CG2 4.24Å; Y22-V26 HydrophobicContact CE1-CG2 3.92Å; Y22-V26 WeakPolarHBondContact O-CG2 3.33Å; Y22-V26 PolarHBondContact O-N 3.02Å; Y22-V26 VanDerWaalsContact O-N 3.09Å
23N71.5Confident68.2Low104 Ų10491.6 Ų91.656%0.55650%0.497SS*.Hα-helixtrans-62.8-36.8175.1-79.3-68.5000112.4S19 F20 V21 S27S19-N23 WeakPolarHBondContact O-CB 3.43Å; S19-N23 PolarHBondContact O-N 3.12Å; S19-N23 PolarHBondContact O-ND2 3.32Å; F20-N23 PolarHBondContact O-N 2.8Å; V21-N23 VanDerWaalsContact C-N 3.34Å; V21-N23 PolarHBondContact O-N 2.89Å; N23-S27 PolarHBondContact O-N 2.86Å
24L67.9Low67Low61 Ų6197.2 Ų97.232%0.31951%0.511SS..Hα-helixtrans-65.2-39.3174.2-103.478000112.7F20 V21 Y22 S27 N28F20-L24 HydrophobicContact CD1-CD1 3.92Å; F20-L24 HydrophobicContact CD2-CD1 4.2Å; F20-L24 HydrophobicContact CE1-CD1 3.51Å; F20-L24 HydrophobicContact CE1-CD2 4.27Å; F20-L24 HydrophobicContact CE2-CD1 3.82Å; F20-L24 HydrophobicContact CG-CD1 4.26Å; F20-L24 HydrophobicContact CZ-CD1 3.46Å; F20-L24 VanDerWaalsContact CZ-CD1 3.46Å; F20-L24 WeakPolarHBondContact O-CD1 3.44Å; F20-L24 PolarHBondContact O-N 3.46Å; V21-L24 WeakPolarHBondContact O-CB 3.5Å; V21-L24 PolarHBondContact O-N 3.4Å; Y22-L24 VanDerWaalsContact C-N 3.32Å; Y22-L24 PolarHBondContact O-N 2.82Å; L24-S27 PolarHBondContact O-N 2.77Å; L24-N28 WeakPolarHBondContact O-CB 3.37Å; L24-N28 PolarHBondContact O-N 3.29Å; L24-N28 PolarHBondContact O-ND2 3.49Å
25E65.9Low66Low57 Ų57100.1 Ų100.127%0.26653%0.526SS..Hα-helixtrans-68-39.6178.9-169.963.9-160.300111.2V21 Y22 S27 N28 Q29 S187V21-E25 PolarHBondContact O-N 3.48Å; Y22-E25 PolarHBondContact O-N 2.8Å; E25-S27 VanDerWaalsContact C-N 3.35Å; E25-N28 PolarHBondContact O-N 3.44Å; E25-Q29 WeakPolarHBondContact O-CG 3.45Å; E25-Q29 PolarHBondContact O-N 2.84Å; E25-Q29 VanDerWaalsContact O-N 3.17Å; E25-Q29 PolarHBondContact O-NE2 2.92Å; E25-Q29 PolarHBondContact OE1-NE2 3.24Å; E25-S187 PolarHBondContact OE1-OG 3.28Å; E25-S187 PolarHBondContact OE2-OG 2.99Å
26V63.6Low65.2Low83 Ų8399.3 Ų99.350%0.50352%0.516SS..Hα-helixtrans-63.8-40.9174.91770000110.8Y22 N28 Q29Y22-V26 HydrophobicContact CD1-CG2 4.24Å; Y22-V26 HydrophobicContact CE1-CG2 3.92Å; Y22-V26 WeakPolarHBondContact O-CG2 3.33Å; Y22-V26 PolarHBondContact O-N 3.02Å; Y22-V26 VanDerWaalsContact O-N 3.09Å; V26-N28 VanDerWaalsContact C-N 3.31Å; V26-N28 PolarHBondContact O-N 2.8Å; V26-Q29 PolarHBondContact O-N 2.86Å
27S58.1Low64.2Low101 Ų10198.2 Ų98.271%0.70652%0.519SS*.Hα-helixtrans-71.6-22177.8-171.70000114.1N23 L24 E25N23-S27 PolarHBondContact O-N 2.86Å; L24-S27 PolarHBondContact O-N 2.77Å; E25-S27 VanDerWaalsContact C-N 3.35Å
28N56.7Low63.3Low84 Ų84103.7 Ų103.745%0.44954%0.537SS..THydrogen-bonded Turntrans-97.32.6177.8-72.8-59000113.3L24 E25 V26 P30L24-N28 WeakPolarHBondContact O-CB 3.37Å; L24-N28 PolarHBondContact O-N 3.29Å; L24-N28 PolarHBondContact O-ND2 3.49Å; E25-N28 PolarHBondContact O-N 3.44Å; V26-N28 VanDerWaalsContact C-N 3.31Å; V26-N28 PolarHBondContact O-N 2.8Å; N28-P30 VanDerWaalsContact O-CD 3.32Å; N28-P30 WeakPolarHBondContact O-CD 3.46Å; N28-P30 VanDerWaalsContact O-N 3.12Å
29Q50.5Low62.7Low113 Ų113109.6 Ų109.653%0.52855%0.554SS.*SBendtrans-58.7119.8171.5-69.8-58.4-63.500108.2E25 V26 E31E25-Q29 WeakPolarHBondContact O-CG 3.45Å; E25-Q29 PolarHBondContact O-N 2.84Å; E25-Q29 VanDerWaalsContact O-N 3.17Å; E25-Q29 PolarHBondContact O-NE2 2.92Å; E25-Q29 PolarHBondContact OE1-NE2 3.24Å; V26-Q29 PolarHBondContact O-N 2.86Å; Q29-E31 PolarHBondContact O-N 2.69Å; Q29-E31 VanDerWaalsContact O-N 3.14Å
30P57.3Low62Low100 Ų100113 Ų11365%0.64958%0.575SS**PPolyproline II helixtrans-60.3124.3173.524.3-30.5000107.4N28N28-P30 VanDerWaalsContact O-CD 3.32Å; N28-P30 WeakPolarHBondContact O-CD 3.46Å; N28-P30 VanDerWaalsContact O-N 3.12Å
31E60.9Low61.4Low172 Ų172114.1 Ų114.180%0.80459%0.587SS**PPolyproline II helixtrans-47.2136.2177.1-78.6-160.7168.200109.6Q29 L33Q29-E31 PolarHBondContact O-N 2.69Å; Q29-E31 VanDerWaalsContact O-N 3.14Å; E31-L33 PolarHBondContact O-N 3.22Å
32P51.8Low61.3Low110 Ų110117.1 Ų117.171%0.71460%0.597SS**PPolyproline II helixtrans-55.6122.6-178.221.7-31.3000108.2K34P32-K34 PolarHBondContact O-N 3.04Å
33L53.1Low61.3Low129 Ų129113.9 Ų113.968%0.67559%0.589SS**  trans-63.429.1177.7-74.7160.9000113.2E31 N35 I36E31-L33 PolarHBondContact O-N 3.22Å; L33-N35 PolarHBondContact O-N 2.82Å; L33-I36 HydrophobicContact CB-CD1 3.74Å; L33-I36 HydrophobicContact CB-CG1 4.07Å; L33-I36 HydrophobicContact CD1-CD1 4.37Å; L33-I36 HydrophobicContact CD2-CD1 3.84Å; L33-I36 HydrophobicContact CD2-CG1 3.89Å; L33-I36 HydrophobicContact CG-CD1 4.18Å; L33-I36 PolarHBondContact O-N 3.42Å
34K55.4Low61.5Low194 Ų194111.3 Ų111.384%0.84358%0.578SS**THydrogen-bonded Turntrans-70.10.1-175.6-143.8175.3-173.3-174.50113.3P32P32-K34 PolarHBondContact O-N 3.04Å
35N56.3Low62.1Low87 Ų87115.8 Ų115.847%0.46560%0.595SS.*THydrogen-bonded Turntrans-129.922.8-179.5-142.918000114.5L33 S37 R38L33-N35 PolarHBondContact O-N 2.82Å; N35-S37 PolarHBondContact O-N 3.42Å; N35-R38 PolarHBondContact O-N 3.32Å; N35-R38 VanDerWaalsContact OD1-CB 3.29Å; N35-R38 WeakPolarHBondContact OD1-CB 3.38Å; N35-R38 WeakPolarHBondContact OD1-CD 3.28Å; N35-R38 WeakPolarHBondContact OD1-CG 3.23Å; N35-R38 PolarHBondContact OD1-NE 3.33Å
36I60Low63Low59 Ų59116.9 Ų116.930%0.30361%0.609SS.*G310 helixtrans-56.7-37170-66.4168.9000110.3L33 R38 R39 F42L33-I36 HydrophobicContact CB-CD1 3.74Å; L33-I36 HydrophobicContact CB-CG1 4.07Å; L33-I36 HydrophobicContact CD1-CD1 4.37Å; L33-I36 HydrophobicContact CD2-CD1 3.84Å; L33-I36 HydrophobicContact CD2-CG1 3.89Å; L33-I36 HydrophobicContact CG-CD1 4.18Å; L33-I36 PolarHBondContact O-N 3.42Å; I36-R38 PolarHBondContact O-N 2.88Å; I36-R38 VanDerWaalsContact O-N 3.15Å; I36-R39 PolarHBondContact O-N 2.92Å; I36-R39 VanDerWaalsContact O-N 3.13Å; I36-F42 HydrophobicContact CG2-CB 4.48Å; I36-F42 HydrophobicContact CG2-CD1 4.28Å; I36-F42 HydrophobicContact CG2-CD2 3.38Å; I36-F42 HydrophobicContact CG2-CE1 4.36Å; I36-F42 HydrophobicContact CG2-CE2 3.49Å; I36-F42 VanDerWaalsContact CG2-CE2 3.49Å; I36-F42 HydrophobicContact CG2-CG 3.79Å; I36-F42 HydrophobicContact CG2-CZ 4Å; I36-F42 VanDerWaalsContact O-CB 3.31Å; I36-F42 WeakPolarHBondContact O-CB 3.41Å
37S60.5Low64.1Low91 Ų91120.6 Ų120.664%0.63661%0.614SS**G310 helixtrans-65.6-14.6-178.2-162.70000115.3N35N35-S37 PolarHBondContact O-N 3.42Å
38R60.4Low65.3Low204 Ų204119.6 Ų119.677%0.7760%0.6SS**G310 helixtrans-99.3-2175.7-72.4-167.8-135.2-1203.2113.7N35 I36N35-R38 PolarHBondContact O-N 3.32Å; N35-R38 VanDerWaalsContact OD1-CB 3.29Å; N35-R38 WeakPolarHBondContact OD1-CB 3.38Å; N35-R38 WeakPolarHBondContact OD1-CD 3.28Å; N35-R38 WeakPolarHBondContact OD1-CG 3.23Å; N35-R38 PolarHBondContact OD1-NE 3.33Å; I36-R38 PolarHBondContact O-N 2.88Å; I36-R38 VanDerWaalsContact O-N 3.15Å
39R64.4Low66.8Low165 Ų165120.4 Ų120.462%0.62360%0.601SS**SBendtrans-65.3128.1172.8-67.2-174.1176.4-153-0.7107.8I36 D41 F42I36-R39 PolarHBondContact O-N 2.92Å; I36-R39 VanDerWaalsContact O-N 3.13Å; R39-D41 PolarHBondContact O-N 3.49Å; R39-F42 HydrophobicContact CB-CB 4.13Å; R39-F42 PolarHBondContact O-N 2.9Å
40P62Low68.6Low129 Ų129117.8 Ų117.884%0.83860%0.599SS**THydrogen-bonded Turntrans-56.9-26.5-176.820.7-31.6000112.7
41D66.5Low70.1Confident149 Ų149115.6 Ų115.680%0.79759%0.589SS**THydrogen-bonded Turntrans-91-8.3-179.8-50.4-41.8000113.8R39 M43R39-D41 PolarHBondContact O-N 3.49Å; D41-M43 PolarHBondContact O-N 3.37Å
42F71.7Confident71.4Confident98 Ų98112.6 Ų112.643%0.4358%0.577SS.*  trans-76.594.6177.2-171.3-101.4000109.3I36 R39 P44I36-F42 HydrophobicContact CG2-CB 4.48Å; I36-F42 HydrophobicContact CG2-CD1 4.28Å; I36-F42 HydrophobicContact CG2-CD2 3.38Å; I36-F42 HydrophobicContact CG2-CE1 4.36Å; I36-F42 HydrophobicContact CG2-CE2 3.49Å; I36-F42 VanDerWaalsContact CG2-CE2 3.49Å; I36-F42 HydrophobicContact CG2-CG 3.79Å; I36-F42 HydrophobicContact CG2-CZ 4Å; I36-F42 VanDerWaalsContact O-CB 3.31Å; I36-F42 WeakPolarHBondContact O-CB 3.41Å; R39-F42 HydrophobicContact CB-CB 4.13Å; R39-F42 PolarHBondContact O-N 2.9Å; F42-P44 VanDerWaalsContact O-CD 3.28Å; F42-P44 WeakPolarHBondContact O-CD 3.48Å
43M72.3Confident73.4Confident102 Ų102112 Ų11250%0.50257%0.568SS.*  trans-64.8118.6167-84.7-168.7147.300109.1D41 I48D41-M43 PolarHBondContact O-N 3.37Å; M43-I48 HydrophobicContact CB-CD1 4.21Å; M43-I48 HydrophobicContact CB-CG1 3.98Å; M43-I48 HydrophobicContact SD-CG1 4.47Å
44P75.3Confident75.2Confident50 Ų50111.8 Ų111.833%0.32556%0.564SS.*  trans-62.9144.5175.424.8-30.5000109.3F42 S46 R47 I48F42-P44 VanDerWaalsContact O-CD 3.28Å; F42-P44 WeakPolarHBondContact O-CD 3.48Å; P44-S46 PolarHBondContact O-N 3.33Å; P44-S46 VanDerWaalsContact O-N 3.08Å; P44-R47 HydrophobicContact CG-CB 3.91Å; P44-R47 WeakPolarHBondContact O-CA 3.3Å; P44-R47 WeakPolarHBondContact O-CB 3.47Å; P44-R47 PolarHBondContact O-N 3.45Å; P44-I48 PolarHBondContact O-N 3.04Å
45K82.2Confident77Confident155 Ų155107.1 Ų107.167%0.67455%0.548SS*.Hα-helixtrans-50.4-38.1-178-169.3-179.9179.3-170.60112.6R47 I48 E49K45-R47 VanDerWaalsContact C-N 3.31Å; K45-R47 PolarHBondContact O-N 2.9Å; K45-I48 PolarHBondContact O-N 2.88Å; K45-E49 VanDerWaalsContact CE-OE1 3.25Å; K45-E49 WeakPolarHBondContact CE-OE1 3.38Å; K45-E49 WeakPolarHBondContact O-CG 3.48Å; K45-E49 PolarHBondContact O-N 3.4Å
46S84.3Confident78.7Confident80 Ų80110.6 Ų110.656%0.55956%0.556SS**Hα-helixtrans-58.7-37.2175.255.80000113.7P44 A50P44-S46 PolarHBondContact O-N 3.33Å; P44-S46 VanDerWaalsContact O-N 3.08Å; S46-A50 VanDerWaalsContact O-CB 3.3Å; S46-A50 WeakPolarHBondContact O-CB 3.32Å; S46-A50 PolarHBondContact O-N 3.37Å
47R85.3Confident80.2Confident160 Ų160111.7 Ų111.760%0.60456%0.562SS**Hα-helixtrans-74.1-34179-162.9175.9-174-175.51.3111.5P44 K45 A51P44-R47 HydrophobicContact CG-CB 3.91Å; P44-R47 WeakPolarHBondContact O-CA 3.3Å; P44-R47 WeakPolarHBondContact O-CB 3.47Å; P44-R47 PolarHBondContact O-N 3.45Å; K45-R47 VanDerWaalsContact C-N 3.31Å; K45-R47 PolarHBondContact O-N 2.9Å; R47-A51 WeakPolarHBondContact O-CB 3.44Å; R47-A51 PolarHBondContact O-N 3.2Å
48I84.7Confident81.6Confident81 Ų81111.4 Ų111.442%0.41555%0.553SS.*Hα-helixtrans-66.3-48.2173.5-59.2174.2000110M43 P44 K45 A50 A51 I52M43-I48 HydrophobicContact CB-CD1 4.21Å; M43-I48 HydrophobicContact CB-CG1 3.98Å; M43-I48 HydrophobicContact SD-CG1 4.47Å; P44-I48 PolarHBondContact O-N 3.04Å; K45-I48 PolarHBondContact O-N 2.88Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 3.39Å; I48-A51 PolarHBondContact O-N 3.44Å; I48-I52 HydrophobicContact CG2-CD1 4.07Å; I48-I52 WeakPolarHBondContact O-CG1 3.38Å; I48-I52 PolarHBondContact O-N 3.29Å
49E88.6Confident83.1Confident101 Ų101110.5 Ų110.547%0.47255%0.55SS.*Hα-helixtrans-61-42177.3-72.4173.4-177.400111.9K45 A51 I52 N53K45-E49 VanDerWaalsContact CE-OE1 3.25Å; K45-E49 WeakPolarHBondContact CE-OE1 3.38Å; K45-E49 WeakPolarHBondContact O-CG 3.48Å; K45-E49 PolarHBondContact O-N 3.4Å; E49-A51 PolarHBondContact O-N 2.85Å; E49-I52 PolarHBondContact O-N 2.89Å; E49-N53 WeakPolarHBondContact O-CB 3.36Å; E49-N53 PolarHBondContact O-N 3.44Å
50A88.4Confident84.1Confident57 Ų57104.9 Ų104.947%0.47154%0.536SS..Hα-helixtrans-61.1-42.9175.100000112.3S46 I48 N53 Q54S46-A50 VanDerWaalsContact O-CB 3.3Å; S46-A50 WeakPolarHBondContact O-CB 3.32Å; S46-A50 PolarHBondContact O-N 3.37Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 3.39Å; A50-N53 PolarHBondContact O-N 3.02Å; A50-Q54 WeakPolarHBondContact O-CB 3.27Å; A50-Q54 PolarHBondContact O-N 2.91Å
51A87Confident85.3Confident54 Ų54107.6 Ų107.645%0.44653%0.529SS..Hα-helixtrans-64.7-41.4178.900000112.4R47 I48 E49 Q54 N55R47-A51 WeakPolarHBondContact O-CB 3.44Å; R47-A51 PolarHBondContact O-N 3.2Å; I48-A51 PolarHBondContact O-N 3.44Å; E49-A51 PolarHBondContact O-N 2.85Å; A51-Q54 PolarHBondContact O-N 2.96Å; A51-N55 PolarHBondContact O-N 3.35Å
52I89.9Confident86.2Confident109 Ų109107.7 Ų107.756%0.55952%0.523SS*.Hα-helixtrans-64.1-48.4176.6-67.3168.9000110.4I48 E49 Q54 N55 Y56I48-I52 HydrophobicContact CG2-CD1 4.07Å; I48-I52 WeakPolarHBondContact O-CG1 3.38Å; I48-I52 PolarHBondContact O-N 3.29Å; E49-I52 PolarHBondContact O-N 2.89Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 3.4Å; I52-N55 PolarHBondContact O-N 3.07Å; I52-Y56 PolarHBondContact O-N 3.4Å
53N93.2Very high86.6Confident99 Ų99105.8 Ų105.853%0.52953%0.525SS..Hα-helixtrans-62.8-37.7178.4-89.4-11.6000112.2E49 A50 Y56 N57E49-N53 WeakPolarHBondContact O-CB 3.36Å; E49-N53 PolarHBondContact O-N 3.44Å; A50-N53 PolarHBondContact O-N 3.02Å; N53-Y56 PolarHBondContact O-N 3.46Å; N53-N57 WeakPolarHBondContact O-CB 3.33Å; N53-N57 VanDerWaalsContact O-CG 3.25Å; N53-N57 PolarHBondContact O-N 3.31Å; N53-N57 PolarHBondContact O-ND2 3.48Å
54Q91.7Very high87.1Confident123 Ų123105.6 Ų105.658%0.57553%0.526SS*.Hα-helixtrans-63.8-43.3175.4-168.3-175.311.100111.4A50 A51 I52 N57 N58A50-Q54 WeakPolarHBondContact O-CB 3.27Å; A50-Q54 PolarHBondContact O-N 2.91Å; A51-Q54 PolarHBondContact O-N 2.96Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 3.4Å; Q54-N57 PolarHBondContact O-N 3.05Å; Q54-N58 WeakPolarHBondContact O-CB 3.3Å; Q54-N58 PolarHBondContact O-N 2.82Å; Q54-N58 PolarHBondContact O-ND2 3.01Å
55N93.2Very high87.3Confident97 Ų97106 Ų10652%0.51953%0.531SS..Hα-helixtrans-62.8-45176.7-164.5-46.8000111.5A51 I52 N57 N58 R59A51-N55 PolarHBondContact O-N 3.35Å; I52-N55 PolarHBondContact O-N 3.07Å; N55-N57 PolarHBondContact O-N 3.22Å; N55-N58 PolarHBondContact O-N 3.44Å; N55-R59 WeakPolarHBondContact O-CB 3.33Å; N55-R59 PolarHBondContact O-N 2.96Å
56Y91.6Very high87.1Confident160 Ų160102 Ų10263%0.62752%0.519SS*.Hα-helixtrans-58.2-48.9175.3-179.6-94.2000111.9I52 N53 N58 R59 S60I52-Y56 PolarHBondContact O-N 3.4Å; N53-Y56 PolarHBondContact O-N 3.46Å; Y56-N58 PolarHBondContact O-N 2.96Å; Y56-R59 PolarHBondContact O-N 2.84Å; Y56-S60 WeakPolarHBondContact O-CB 3.43Å; Y56-S60 PolarHBondContact O-N 3.31Å
57N90.2Very high86.7Confident81 Ų81102.5 Ų102.543%0.43352%0.515SS..Hα-helixtrans-63.2-40.9178.6-75.8-38.1000112.2N53 Q54 N55 S60 R61N53-N57 WeakPolarHBondContact O-CB 3.33Å; N53-N57 VanDerWaalsContact O-CG 3.25Å; N53-N57 PolarHBondContact O-N 3.31Å; N53-N57 PolarHBondContact O-ND2 3.48Å; Q54-N57 PolarHBondContact O-N 3.05Å; N55-N57 PolarHBondContact O-N 3.22Å; N57-S60 PolarHBondContact O-N 3.48Å; N57-R61 WeakPolarHBondContact O-CB 3.38Å; N57-R61 VanDerWaalsContact O-CG 3.27Å; N57-R61 WeakPolarHBondContact O-CG 3.35Å; N57-R61 PolarHBondContact O-N 3.08Å
58N91.8Very high86.1Confident85 Ų85102.5 Ų102.546%0.45552%0.519SS..Hα-helixtrans-65-42176.7-72.4-14.6000111.6Q54 N55 Y56 R61 K62Q54-N58 WeakPolarHBondContact O-CB 3.3Å; Q54-N58 PolarHBondContact O-N 2.82Å; Q54-N58 PolarHBondContact O-ND2 3.01Å; N55-N58 PolarHBondContact O-N 3.44Å; Y56-N58 PolarHBondContact O-N 2.96Å; N58-R61 PolarHBondContact O-N 3.13Å; N58-K62 WeakPolarHBondContact O-CB 3.48Å; N58-K62 PolarHBondContact O-N 2.94Å
59R90.3Very high85.6Confident186 Ų186108.5 Ų108.570%0.70254%0.537SS*.Hα-helixtrans-65.4-43.1176.5-165.2-178.9-81.3-160-4.5111N55 Y56 K62 A63N55-R59 WeakPolarHBondContact O-CB 3.33Å; N55-R59 PolarHBondContact O-N 2.96Å; Y56-R59 PolarHBondContact O-N 2.84Å; R59-K62 PolarHBondContact O-N 3.05Å; R59-A63 WeakPolarHBondContact O-CB 3.45Å; R59-A63 PolarHBondContact O-N 3.01Å
60S86.1Confident84.8Confident46 Ų46112.8 Ų112.832%0.32255%0.548SS..Hα-helixtrans-61.6-45.1174176.50000112.1Y56 N57 K62 A63 N64Y56-S60 WeakPolarHBondContact O-CB 3.43Å; Y56-S60 PolarHBondContact O-N 3.31Å; N57-S60 PolarHBondContact O-N 3.48Å; S60-K62 PolarHBondContact O-N 2.97Å; S60-A63 PolarHBondContact O-N 3.15Å; S60-N64 WeakPolarHBondContact O-CB 3.41Å; S60-N64 PolarHBondContact O-N 3.25Å; S60-N64 PolarHBondContact O-ND2 3.21Å
61R86.4Confident83.9Confident186 Ų186118.3 Ų118.370%0.70256%0.557SS**Hα-helixtrans-61.5-44.4175.1-76.6178.9-179.2-168.21.2112N57 N58 N64 S65N57-R61 WeakPolarHBondContact O-CB 3.38Å; N57-R61 VanDerWaalsContact O-CG 3.27Å; N57-R61 WeakPolarHBondContact O-CG 3.35Å; N57-R61 PolarHBondContact O-N 3.08Å; N58-R61 PolarHBondContact O-N 3.13Å; R61-N64 PolarHBondContact O-N 3.3Å; R61-S65 WeakPolarHBondContact O-CB 3.49Å; R61-S65 PolarHBondContact O-N 3.42Å; R61-S65 PolarHBondContact O-OG 3.02Å
62K85.2Confident82.4Confident152 Ų152122.6 Ų122.666%0.66157%0.566SS**Hα-helixtrans-63.8-40.3177.3-172.7175.4-178.6177.70111.9N58 R59 S60 S65 T66N58-K62 WeakPolarHBondContact O-CB 3.48Å; N58-K62 PolarHBondContact O-N 2.94Å; R59-K62 PolarHBondContact O-N 3.05Å; S60-K62 PolarHBondContact O-N 2.97Å; K62-S65 WeakPolarHBondContact CA-OG 3.42Å; K62-S65 PolarHBondContact O-OG 2.89Å; K62-T66 WeakPolarHBondContact O-CB 3.45Å; K62-T66 PolarHBondContact O-N 3.45Å; K62-T66 PolarHBondContact O-OG1 3.01Å
63A81Confident80.8Confident58 Ų58119.8 Ų119.848%0.47956%0.563SS.*Hα-helixtrans-63.6-47.3174.400000111R59 S60 S65 T66 L67R59-A63 WeakPolarHBondContact O-CB 3.45Å; R59-A63 PolarHBondContact O-N 3.01Å; S60-A63 PolarHBondContact O-N 3.15Å; A63-S65 PolarHBondContact O-N 3.33Å; A63-T66 WeakPolarHBondContact O-CB 3.25Å; A63-T66 PolarHBondContact O-N 2.72Å; A63-L67 WeakPolarHBondContact O-CB 3.1Å; A63-L67 PolarHBondContact O-N 3.02Å
64N82.8Confident79Confident97 Ų97118.2 Ų118.252%0.51956%0.564SS.*Hα-helixtrans-65.8-37.7178.8-80.7-35.3000113.1S60 R61 T66 L67 K68S60-N64 WeakPolarHBondContact O-CB 3.41Å; S60-N64 PolarHBondContact O-N 3.25Å; S60-N64 PolarHBondContact O-ND2 3.21Å; R61-N64 PolarHBondContact O-N 3.3Å; N64-T66 VanDerWaalsContact C-N 3.32Å; N64-L67 PolarHBondContact O-N 3.12Å; N64-K68 VanDerWaalsContact O-CB 3.23Å; N64-K68 WeakPolarHBondContact O-CB 3.31Å; N64-K68 PolarHBondContact O-N 3.17Å
65S79.7Confident77.1Confident60 Ų60117.8 Ų117.842%0.4257%0.565SS.*Hα-helixtrans-67-36.8174.363.60000111.7R61 K62 A63 K68 R69R61-S65 WeakPolarHBondContact O-CB 3.49Å; R61-S65 PolarHBondContact O-N 3.42Å; R61-S65 PolarHBondContact O-OG 3.02Å; K62-S65 WeakPolarHBondContact CA-OG 3.42Å; K62-S65 PolarHBondContact O-OG 2.89Å; A63-S65 PolarHBondContact O-N 3.33Å; S65-K68 PolarHBondContact O-N 2.68Å; S65-R69 WeakPolarHBondContact O-CB 3.32Å; S65-R69 WeakPolarHBondContact O-CG 3.48Å; S65-R69 PolarHBondContact O-N 3.12Å
66T78.2Confident75.1Confident70 Ų70123 Ų12343%0.42958%0.579SS.*Hα-helixtrans-67.2-45.6175.6-54.60000110.4K62 A63 N64 K68 R69 R70K62-T66 WeakPolarHBondContact O-CB 3.45Å; K62-T66 PolarHBondContact O-N 3.45Å; K62-T66 PolarHBondContact O-OG1 3.01Å; A63-T66 WeakPolarHBondContact O-CB 3.25Å; A63-T66 PolarHBondContact O-N 2.72Å; N64-T66 VanDerWaalsContact C-N 3.32Å; T66-K68 PolarHBondContact O-N 3.43Å; T66-R69 PolarHBondContact O-N 3.34Å; T66-R70 WeakPolarHBondContact O-CB 3.06Å; T66-R70 VanDerWaalsContact O-CG 3.3Å; T66-R70 WeakPolarHBondContact O-CG 3.28Å; T66-R70 PolarHBondContact O-N 3.14Å
67L76.5Confident73Confident91 Ų91117.9 Ų117.948%0.47658%0.575SS.*Hα-helixtrans-62.6-41.9174.9-176.362000111.3A63 N64 R70 R71A63-L67 WeakPolarHBondContact O-CB 3.1Å; A63-L67 PolarHBondContact O-N 3.02Å; N64-L67 PolarHBondContact O-N 3.12Å; L67-R70 PolarHBondContact O-N 2.8Å; L67-R71 HydrophobicContact CD1-CG 4.29Å; L67-R71 HydrophobicContact CG-CG 4.38Å; L67-R71 WeakPolarHBondContact O-CB 3.44Å; L67-R71 VanDerWaalsContact O-CG 3.28Å; L67-R71 WeakPolarHBondContact O-CG 3.29Å; L67-R71 PolarHBondContact O-N 3.41Å
68K71.9Confident71.3Confident159 Ų159119.8 Ų119.869%0.69158%0.581SS**Hα-helixtrans-66.4-38.5177.1-167.3173.4-175.8179.50111.9N64 S65 T66 K72N64-K68 VanDerWaalsContact O-CB 3.23Å; N64-K68 WeakPolarHBondContact O-CB 3.31Å; N64-K68 PolarHBondContact O-N 3.17Å; S65-K68 PolarHBondContact O-N 2.68Å; T66-K68 PolarHBondContact O-N 3.43Å; K68-K72 VanDerWaalsContact O-CB 3.22Å; K68-K72 WeakPolarHBondContact O-CB 3.24Å; K68-K72 PolarHBondContact O-N 3.06Å
69R73.6Confident69.6Low208 Ų208120.3 Ų120.379%0.78559%0.587SS**Hα-helixtrans-63.8-44.3171.2-82.3-174176.3-171.1-0.7111.6S65 T66 K72 G73S65-R69 WeakPolarHBondContact O-CB 3.32Å; S65-R69 WeakPolarHBondContact O-CG 3.48Å; S65-R69 PolarHBondContact O-N 3.12Å; T66-R69 PolarHBondContact O-N 3.34Å; R69-K72 PolarHBondContact O-N 3.33Å; R69-G73 PolarHBondContact O-N 3.2Å
70R71.5Confident68.2Low190 Ų190116.4 Ų116.472%0.71758%0.58SS**Hα-helixtrans-63.3-44176-71.6178.572.5160.83.8112T66 L67 G73 A74T66-R70 WeakPolarHBondContact O-CB 3.06Å; T66-R70 VanDerWaalsContact O-CG 3.3Å; T66-R70 WeakPolarHBondContact O-CG 3.28Å; T66-R70 PolarHBondContact O-N 3.14Å; L67-R70 PolarHBondContact O-N 2.8Å; R70-G73 PolarHBondContact O-N 3.04Å; R70-A74 WeakPolarHBondContact O-CB 3.1Å; R70-A74 PolarHBondContact O-N 3.4Å
71R69.9Low67.2Low173 Ų173118.7 Ų118.765%0.65359%0.588SS**Hα-helixtrans-64.3-46.1174.9-71.1179.782.7174.46.3111L67 G73 A74 I75L67-R71 HydrophobicContact CD1-CG 4.29Å; L67-R71 HydrophobicContact CG-CG 4.38Å; L67-R71 WeakPolarHBondContact O-CB 3.44Å; L67-R71 VanDerWaalsContact O-CG 3.28Å; L67-R71 WeakPolarHBondContact O-CG 3.29Å; L67-R71 PolarHBondContact O-N 3.41Å; R71-G73 PolarHBondContact O-N 3.04Å; R71-A74 CarbonylContact O-C 3.57Å; R71-A74 WeakPolarHBondContact O-CA 3.45Å; R71-A74 WeakPolarHBondContact O-CB 3.3Å; R71-A74 PolarHBondContact O-N 3.23Å; R71-A74 VanDerWaalsContact O-N 3.12Å; R71-I75 VanDerWaalsContact O-CG1 3.3Å; R71-I75 WeakPolarHBondContact O-CG1 3.41Å; R71-I75 PolarHBondContact O-N 3.48Å
72K56.5Low66.3Low145 Ų145118.1 Ų118.163%0.6359%0.591SS**Hα-helixtrans-66.8-35.2178.4-163.2175.4-177.3-176.30112.6K68 R69 A74 I75K68-K72 VanDerWaalsContact O-CB 3.22Å; K68-K72 WeakPolarHBondContact O-CB 3.24Å; K68-K72 PolarHBondContact O-N 3.06Å; R69-K72 PolarHBondContact O-N 3.33Å; K72-A74 VanDerWaalsContact C-N 3.34Å; K72-I75 PolarHBondContact O-N 2.74Å
73G55.2Low65.8Low49 Ų49115.2 Ų115.251%0.50558%0.582SS.*Hα-helixtrans-65.9-35.317000000112.6R69 R70 R71 I75R69-G73 PolarHBondContact O-N 3.2Å; R70-G73 PolarHBondContact O-N 3.04Å; R71-G73 PolarHBondContact O-N 3.04Å; G73-I75 VanDerWaalsContact C-N 3.31Å; G73-I75 PolarHBondContact O-N 3.29Å
74A55.3Low65.4Low66 Ų66115.9 Ų115.955%0.54558%0.58SS.*Hα-helixtrans-71.9-20.4173.800000113.7R70 R71 K72 Y76 G77R70-A74 WeakPolarHBondContact O-CB 3.1Å; R70-A74 PolarHBondContact O-N 3.4Å; R71-A74 CarbonylContact O-C 3.57Å; R71-A74 WeakPolarHBondContact O-CA 3.45Å; R71-A74 WeakPolarHBondContact O-CB 3.3Å; R71-A74 PolarHBondContact O-N 3.23Å; R71-A74 VanDerWaalsContact O-N 3.12Å; K72-A74 VanDerWaalsContact C-N 3.34Å; A74-Y76 PolarHBondContact O-N 2.83Å; A74-G77 WeakPolarHBondContact O-CA 3.32Å; A74-G77 PolarHBondContact O-N 3.04Å
75I51.6Low65.2Low115 Ų115118.3 Ų118.359%0.5959%0.586SS**G310 helixtrans-69.2-19.4178-67.2167.8000112.2R71 K72 G73 G77 E78R71-I75 VanDerWaalsContact O-CG1 3.3Å; R71-I75 WeakPolarHBondContact O-CG1 3.41Å; R71-I75 PolarHBondContact O-N 3.48Å; K72-I75 PolarHBondContact O-N 2.74Å; G73-I75 VanDerWaalsContact C-N 3.31Å; G73-I75 PolarHBondContact O-N 3.29Å; I75-G77 PolarHBondContact O-N 3.03Å; I75-E78 PolarHBondContact O-N 2.86Å
76Y51.3Low65.2Low206 Ų206122.3 Ų122.381%0.80860%0.596SS**G310 helixtrans-73.42.2167.1-66.8-70.8000113.6A74A74-Y76 PolarHBondContact O-N 2.83Å
77G48.5Very low65Low53 Ų53121.5 Ų121.555%0.54660%0.596SS.*G310 helixtrans-107.9-1.4170.100000114.8A74 I75 T79A74-G77 WeakPolarHBondContact O-CA 3.32Å; A74-G77 PolarHBondContact O-N 3.04Å; I75-G77 PolarHBondContact O-N 3.03Å; G77-T79 PolarHBondContact O-N 2.89Å
78E53.5Low65.1Low121 Ų121124 Ų12457%0.56560%0.603SS**THydrogen-bonded Turntrans-801.1-179.3-162.966-14000112.7I75 D80I75-E78 PolarHBondContact O-N 2.86Å; E78-D80 PolarHBondContact O-N 3.09Å
79T56.2Low65.3Low95 Ų95123.8 Ų123.858%0.58360%0.603SS**Hα-helixtrans-59-27.3171.937.30000112.2G77 D83G77-T79 PolarHBondContact O-N 2.89Å; T79-D83 WeakPolarHBondContact O-CB 3.21Å
80D61.2Low65.2Low104 Ų104118.1 Ų118.156%0.55659%0.592SS**Hα-helixtrans-83.6-26.2-168-111.2-19.2000115.8E78 K82 V84E78-D80 PolarHBondContact O-N 3.09Å; D80-K82 PolarHBondContact O-N 3.02Å; D80-V84 HydrophobicContact CB-CG2 3.94Å; D80-V84 VanDerWaalsContact O-CA 3.31Å; D80-V84 WeakPolarHBondContact O-CA 3.31Å; D80-V84 WeakPolarHBondContact O-CB 3.33Å; D80-V84 WeakPolarHBondContact O-CG2 3.47Å; D80-V84 PolarHBondContact O-N 3.03Å; D80-V84 WeakPolarHBondContact OD1-CG2 3.38Å
81I64.9Low65.2Low95 Ų95115.9 Ų115.949%0.48759%0.587SS.*Hα-helixtrans-72.6-41.5-172.4-61.8179.5000112.7K85I81-K85 HydrophobicContact CG2-CD 4.16Å; I81-K85 HydrophobicContact CG2-CG 4.48Å; I81-K85 VanDerWaalsContact O-CB 3.23Å; I81-K85 WeakPolarHBondContact O-CB 3.45Å; I81-K85 VanDerWaalsContact O-CG 3.24Å; I81-K85 WeakPolarHBondContact O-CG 3.35Å; I81-K85 PolarHBondContact O-N 3.23Å
82K69Low65.2Low174 Ų174117.1 Ų117.176%0.75759%0.592SS**Hα-helixtrans-72.2-40.7177.8-76.6-176.9-177.4175.40111.2D80 K85 K86D80-K82 PolarHBondContact O-N 3.02Å; K82-K85 PolarHBondContact O-N 3.5Å; K82-K86 VanDerWaalsContact O-CB 3.28Å; K82-K86 WeakPolarHBondContact O-CB 3.38Å; K82-K86 PolarHBondContact O-N 2.87Å
83D73.7Confident65.2Low91 Ų91118.1 Ų118.149%0.48760%0.596SS.*Hα-helixtrans-70.6-40.4178-68.4-28.3000111.4T79 K86 A87T79-D83 WeakPolarHBondContact O-CB 3.21Å; D83-K86 PolarHBondContact O-N 3.33Å; D83-A87 VanDerWaalsContact O-CB 3.25Å; D83-A87 WeakPolarHBondContact O-CB 3.48Å; D83-A87 PolarHBondContact O-N 3.08Å
84V73Confident64.9Low72 Ų72119 Ų11944%0.43661%0.606SS.*Hα-helixtrans-61.7-45.4170171.90000110.7D80 K86 A87 F88D80-V84 HydrophobicContact CB-CG2 3.94Å; D80-V84 VanDerWaalsContact O-CA 3.31Å; D80-V84 WeakPolarHBondContact O-CA 3.31Å; D80-V84 WeakPolarHBondContact O-CB 3.33Å; D80-V84 WeakPolarHBondContact O-CG2 3.47Å; D80-V84 PolarHBondContact O-N 3.03Å; D80-V84 WeakPolarHBondContact OD1-CG2 3.38Å; V84-K86 VanDerWaalsContact C-N 3.3Å; V84-K86 PolarHBondContact O-N 2.9Å; V84-A87 PolarHBondContact O-N 2.81Å; V84-F88 VanDerWaalsContact O-CB 3.29Å; V84-F88 WeakPolarHBondContact O-CB 3.02Å; V84-F88 PolarHBondContact O-N 3.3Å
85K78.8Confident64.2Low147 Ų147125.7 Ų125.764%0.63962%0.617SS**Hα-helixtrans-62.4-39175.7-81.7178-179.7178.60111.8I81 K82 F88 K89I81-K85 HydrophobicContact CG2-CD 4.16Å; I81-K85 HydrophobicContact CG2-CG 4.48Å; I81-K85 VanDerWaalsContact O-CB 3.23Å; I81-K85 WeakPolarHBondContact O-CB 3.45Å; I81-K85 VanDerWaalsContact O-CG 3.24Å; I81-K85 WeakPolarHBondContact O-CG 3.35Å; I81-K85 PolarHBondContact O-N 3.23Å; K82-K85 PolarHBondContact O-N 3.5Å; K85-F88 PolarHBondContact O-N 3.37Å; K85-K89 WeakPolarHBondContact O-CB 3.45Å; K85-K89 PolarHBondContact O-N 2.93Å
86K78.6Confident63.5Low145 Ų145123.7 Ų123.763%0.6361%0.613SS**Hα-helixtrans-66-46.3176.4-172.5179.4178.5-173.30110.8K82 D83 V84 F88 K89 T90K82-K86 VanDerWaalsContact O-CB 3.28Å; K82-K86 WeakPolarHBondContact O-CB 3.38Å; K82-K86 PolarHBondContact O-N 2.87Å; D83-K86 PolarHBondContact O-N 3.33Å; V84-K86 VanDerWaalsContact C-N 3.3Å; V84-K86 PolarHBondContact O-N 2.9Å; K86-F88 VanDerWaalsContact C-N 3.34Å; K86-F88 PolarHBondContact O-N 3.49Å; K86-K89 PolarHBondContact O-N 3.35Å; K86-T90 PolarHBondContact O-N 3Å; K86-T90 PolarHBondContact O-OG1 3.43Å
87A75.4Confident62.6Low53 Ų53120 Ų12044%0.43862%0.615SS.*Hα-helixtrans-60.7-40.8175.200000112D83 V84 T90 F91D83-A87 VanDerWaalsContact O-CB 3.25Å; D83-A87 WeakPolarHBondContact O-CB 3.48Å; D83-A87 PolarHBondContact O-N 3.08Å; V84-A87 PolarHBondContact O-N 2.81Å; A87-T90 VanDerWaalsContact CA-OG1 3.32Å; A87-T90 WeakPolarHBondContact CA-OG1 3.49Å; A87-T90 PolarHBondContact O-N 2.75Å; A87-T90 PolarHBondContact O-OG1 2.74Å; A87-F91 WeakPolarHBondContact O-CB 3.15Å; A87-F91 PolarHBondContact O-N 2.98Å
88F77.1Confident62Low142 Ų142123 Ų12362%0.62362%0.622SS**Hα-helixtrans-67.8-37.2176.8-149.1-92.2000111.7V84 K85 K86 F91 R92V84-F88 VanDerWaalsContact O-CB 3.29Å; V84-F88 WeakPolarHBondContact O-CB 3.02Å; V84-F88 PolarHBondContact O-N 3.3Å; K85-F88 PolarHBondContact O-N 3.37Å; K86-F88 VanDerWaalsContact C-N 3.34Å; K86-F88 PolarHBondContact O-N 3.49Å; F88-F91 PolarHBondContact O-N 3.42Å; F88-R92 WeakPolarHBondContact O-CB 3.32Å; F88-R92 PolarHBondContact O-N 3.17Å
89K75.8Confident60.9Low155 Ų155122 Ų12267%0.67463%0.629SS**Hα-helixtrans-68.1-37.9175.8-165.8173.3-175.3177.50112K85 K86 K93K85-K89 WeakPolarHBondContact O-CB 3.45Å; K85-K89 PolarHBondContact O-N 2.93Å; K86-K89 PolarHBondContact O-N 3.35Å; K89-K93 PolarHBondContact O-N 3.39Å
90T71.3Confident59.6Low90 Ų90122.8 Ų122.855%0.55265%0.645SS**Hα-helixtrans-69.2-40.9172.848.40000111.8K86 A87 K93 G94K86-T90 PolarHBondContact O-N 3Å; K86-T90 PolarHBondContact O-OG1 3.43Å; A87-T90 VanDerWaalsContact CA-OG1 3.32Å; A87-T90 WeakPolarHBondContact CA-OG1 3.49Å; A87-T90 PolarHBondContact O-N 2.75Å; A87-T90 PolarHBondContact O-OG1 2.74Å; T90-K93 PolarHBondContact O-N 3.09Å; T90-G94 PolarHBondContact O-N 3.46Å
91F72.8Confident58.2Low142 Ų142122.8 Ų122.862%0.62365%0.653SS**Hα-helixtrans-61.7-45.2176.7-174-98.9000112.2A87 F88 K93 G94A87-F91 WeakPolarHBondContact O-CB 3.15Å; A87-F91 PolarHBondContact O-N 2.98Å; F88-F91 PolarHBondContact O-N 3.42Å; F91-K93 VanDerWaalsContact C-N 3.34Å; F91-K93 PolarHBondContact O-N 3.44Å; F91-G94 PolarHBondContact O-N 3.4Å; F91-G94 VanDerWaalsContact O-N 3.16Å
92R69.1Low56.6Low200 Ų200123.4 Ų123.476%0.75567%0.666SS**Hα-helixtrans-64.2-35.2177.1-176.2177.4141.6175.7-4.5112.8F88 G94 R95F88-R92 WeakPolarHBondContact O-CB 3.32Å; F88-R92 PolarHBondContact O-N 3.17Å; R92-G94 VanDerWaalsContact C-N 3.29Å; R92-G94 PolarHBondContact O-N 2.93Å; R92-R95 PolarHBondContact O-N 3.48Å
93K57Low54.6Low165 Ų165121.8 Ų121.872%0.71767%0.671SS**Hα-helixtrans-65.8-30.5174.5-87.4-169.8174.5-171.20112.8K89 T90 F91 R95K89-K93 PolarHBondContact O-N 3.39Å; T90-K93 PolarHBondContact O-N 3.09Å; F91-K93 VanDerWaalsContact C-N 3.34Å; F91-K93 PolarHBondContact O-N 3.44Å; K93-R95 PolarHBondContact O-N 2.95Å
94G49.3Very low52.6Low69 Ų69123.2 Ų123.271%0.71169%0.688SS**THydrogen-bonded Turntrans-73.4-9.8176.500000114.6T90 F91 R92T90-G94 PolarHBondContact O-N 3.46Å; F91-G94 PolarHBondContact O-N 3.4Å; F91-G94 VanDerWaalsContact O-N 3.16Å; R92-G94 VanDerWaalsContact C-N 3.29Å; R92-G94 PolarHBondContact O-N 2.93Å
95R39.7Very low50.9Low205 Ų205123.5 Ų123.577%0.77471%0.705SS**THydrogen-bonded Turntrans-108.712.8-176-127.9176.3180-129.51.5114.4R92 K93R92-R95 PolarHBondContact O-N 3.48Å; K93-R95 PolarHBondContact O-N 2.95Å
96S36.6Very low48.5Very low73 Ų73122 Ų12251%0.5171%0.71SS.*SBendtrans-66.4126.8158.762.40000107.5T98S96-T98 VanDerWaalsContact C-N 3.3Å; S96-T98 PolarHBondContact O-N 3.01Å
97P33.7Very low46.1Very low130 Ų130121.2 Ų121.284%0.84472%0.718SS**  trans-73.788.4-173.131.3-32.3000108.2S99P97-S99 VanDerWaalsContact C-N 3.34Å; P97-S99 PolarHBondContact O-N 2.94Å; P97-S99 VanDerWaalsContact O-N 3.11Å
98T34.4Very low43.9Very low115 Ų115123.8 Ų123.871%0.70673%0.732SS**  trans-8195.1168.5-53.40000106.7S96 A100S96-T98 VanDerWaalsContact C-N 3.3Å; S96-T98 PolarHBondContact O-N 3.01Å; T98-A100 PolarHBondContact O-N 3.28Å
99S32Very low41.5Very low100 Ų100122.1 Ų122.170%0.69975%0.745SS**  trans9.2104142.649.80000113.8P97 S101P97-S99 VanDerWaalsContact C-N 3.34Å; P97-S99 PolarHBondContact O-N 2.94Å; P97-S99 VanDerWaalsContact O-N 3.11Å; S99-S101 PolarHBondContact O-N 3.28Å
100A27.3Very low39.5Very low112 Ų112120.5 Ų120.593%0.92675%0.754SS**  trans-56.1104.7164.400000109T98T98-A100 PolarHBondContact O-N 3.28Å
101S32.3Very low37.7Very low104 Ų104121.3 Ų121.373%0.72776%0.763SS**  trans-124.3107156.4-175.30000106.7S99S99-S101 PolarHBondContact O-N 3.28Å
102S32.1Very low35.6Very low108 Ų108121.2 Ų121.276%0.75577%0.774SS**  trans0.8115.1163.4470000117.4
103T26.2Very low34Very low140 Ų140117.5 Ų117.586%0.85978%0.778SS**  trans-47.5126.3160.247.90000114.9
104S32Very low32.7Very low121 Ų121112.8 Ų112.885%0.84678%0.777SS**  -164.2115.2129.649.40000108
105G37.4Very low32Very low77 Ų77115.8 Ų115.879%0.79478%0.784SS**  trans-92172.2-161.100000115.3
106P27.4Very low31.7Very low115 Ų115112.6 Ų112.675%0.74779%0.787SS**  trans-118.6124.9158.532.5-18000112.5
107T29Very low31.4Very low129 Ų129114.5 Ų114.579%0.79180%0.801SS**  47116.2119.5-21.10000119.4
108S28.9Very low31.3Very low107 Ų107113.3 Ų113.375%0.74880%0.802SS**  143.196.3119-550000111.6S110S108-S110 PolarHBondContact O-N 3.46Å
109A27.8Very low31.3Very low108 Ų108113.8 Ų113.889%0.89381%0.81SS**  trans-71.4108.6159.900000108.1S111A109-S111 PolarHBondContact O-N 2.93Å
110S33.6Very low31.1Very low121 Ų121114.3 Ų114.385%0.84681%0.813SS**  trans-81.5109.6166.7-159.50000107.9S108S108-S110 PolarHBondContact O-N 3.46Å
111S32.5Very low31.3Very low107 Ų107115.7 Ų115.775%0.74881%0.811SS**PPolyproline II helixtrans-58128.8178.947.30000112.3A109 S113A109-S111 PolarHBondContact O-N 2.93Å; S111-S113 PolarHBondContact O-N 3.3Å
112T30.1Very low31.2Very low139 Ų139117 Ų11785%0.85382%0.819SS**PPolyproline II helixtrans-61.2120163.944.20000110.3
113S34.3Very low31.1Very low122 Ų122115 Ų11585%0.85382%0.816SS**PPolyproline II helixtrans-67.5137.4166.138.40000110.5S111S111-S113 PolarHBondContact O-N 3.3Å
114G30.5Very low31.3Very low66 Ų66114.5 Ų114.568%0.6882%0.815SS**  trans-83.5178-156.500000118.5
115P34Very low31.1Very low133 Ų133115.3 Ų115.386%0.86482%0.816SS**  trans-80134.3-177.130.5-32.5000113.1S117P115-S117 PolarHBondContact O-N 2.78Å
116T33.1Very low30.9Very low137 Ų137117.6 Ų117.684%0.8482%0.819SS**  trans-72.5115.8173.4-35.60000111.1
117S30.7Very low30.8Very low114 Ų114116.2 Ų116.280%0.79782%0.818SS**  trans18.7111.8154.8-43.30000119.8P115P115-S117 PolarHBondContact O-N 2.78Å
118A32.7Very low30.8Very low105 Ų105115.2 Ų115.287%0.86882%0.816SS**PPolyproline II helixtrans-94.7128.2157.700000110.1
119S32.6Very low30.7Very low125 Ų125115.1 Ų115.187%0.87482%0.815SS**PPolyproline II helixtrans-69.2139.5177.2-74.80000112.1
120S28.2Very low30.8Very low110 Ų110116.7 Ų116.777%0.76981%0.814SS**PPolyproline II helixtrans-64.8131.9171.8500000113.1
121T32.2Very low30.4Very low142 Ų142116.4 Ų116.487%0.87181%0.812SS**  trans-141.9119.8145.843.60000109.6
122S29.2Very low30.2Very low130 Ų130114.9 Ų114.991%0.90981%0.813SS**  trans-59.8137.817843.30000114.6
123G30.7Very low30.3Very low67 Ų67113.9 Ų113.969%0.69181%0.809SS**  trans-143.4148.316100000109.3
124P30Very low29.9Very low129 Ų129115 Ų11584%0.83881%0.811SS**  trans-82.2152.2-143.331.5-35.2000115.5
125T27.7Very low29.9Very low139 Ų139117.3 Ų117.385%0.85382%0.817SS**  trans-41.2115.4171.2-190000114.1
126S34.1Very low29.5Very low124 Ų124115.3 Ų115.387%0.86781%0.811SS**  trans-111.5121.9152-69.50000107.9
127A25.7Very low29.2Very low87 Ų87114.6 Ų114.672%0.71981%0.812SS**  trans-80.6163.9-167.900000114.3
128S28.3Very low29.3Very low107 Ų107114.1 Ų114.175%0.74881%0.809SS**  trans85.391.9160.7-53.70000116
129S26.4Very low28.8Very low105 Ų105115 Ų11573%0.73480%0.804SS**  57.511188.371.50000112.2
130T29.5Very low28.5Very low141 Ų141115 Ų11587%0.86580%0.803SS**  -149.5148.586.634.10000114.6
131S26.6Very low28.5Very low115 Ų115113.2 Ų113.280%0.80480%0.802SS**  trans-60.5139.4178.244.10000118
132G27.6Very low28.7Very low75 Ų75112.3 Ų112.377%0.77380%0.799SS**  trans60.8164.713500000120.1
133P31.7Very low28.5Very low118 Ų118112.3 Ų112.377%0.76679%0.793SS**  cis-122.4150.616.337.4-22.5000115.4
134T26.3Very low28.4Very low145 Ų145114.8 Ų114.889%0.8980%0.8SS**  trans-71.2121.2154.1-31.30000108.2
135S31.8Very low28Very low116 Ų116113.1 Ų113.181%0.81180%0.797SS**  trans-144.8142.6165.5-73.80000110.6
136A25.1Very low27.9Very low91 Ų91111.7 Ų111.775%0.75279%0.793SS**  trans-86160.2-154.600000115.4
137S26.1Very low27.5Very low122 Ų122111 Ų11185%0.85379%0.788SS**  trans9.9118.3145-55.70000119.4
138S31.9Very low27.6Very low104 Ų104114 Ų11473%0.72780%0.797SS**  trans-151.895.3144.258.20000108.1
139T24.2Very low27.4Very low124 Ų124114.8 Ų114.876%0.76180%0.803SS**  47105.8103.254.60000115.7
140S26.1Very low27.5Very low123 Ų123113.2 Ų113.286%0.8680%0.803SS**  trans56115.9134.656.50000120.8
141G28.4Very low28Very low73 Ų73112.3 Ų112.375%0.75380%0.8SS**  trans-179122.3149.400000111
142P34.7Very low28.1Very low123 Ų123113.4 Ų113.480%0.79980%0.802SS**  trans-82.3176.2173.935.1-31000110.2
143T26Very low28.1Very low130 Ų130115 Ų11580%0.79880%0.801SS**  trans84.7102.3168.4-5.30000115.7
144S27.4Very low27.7Very low120 Ų120114 Ų11484%0.83980%0.803SS**  177143.6105.6-72.80000111.5
145A22.9Very low28.1Very low93 Ų93113 Ų11377%0.76980%0.802SS**  trans-77.3165.5-177.700000113.5
146S24.6Very low27.8Very low110 Ų110112.5 Ų112.577%0.76980%0.799SS**  trans90.5123153.7-70.40000120.4
147S25.4Very low27.9Very low108 Ų108114.5 Ų114.576%0.75580%0.801SS**  trans67.7112.5148.161.50000119.2
148T27.8Very low28.4Very low150 Ų150114.8 Ų114.892%0.9280%0.803SS**  -155.4107.5123.323.20000109.1
149S25.6Very low28.2Very low125 Ų125112.9 Ų112.987%0.87480%0.8SS**  trans-82.8126.9157.246.10000108.6
150G26.9Very low28.5Very low71 Ų71112.9 Ų112.973%0.73280%0.803SS**  trans-167137.6170.400000111.4
151P41Very low29Very low122 Ų122114.1 Ų114.179%0.79281%0.805SS**  trans-99.3155.8-159.337.9-33.1000113.7
152T29.6Very low29.1Very low139 Ų139115.5 Ų115.585%0.85380%0.803SS**  trans-146.191.9162.1-370000112.1
153S25.6Very low28.7Very low107 Ų107114.2 Ų114.275%0.74880%0.803SS**  trans20.9134.6134.7-46.70000122.9
154A24.7Very low29.2Very low98 Ų98113.6 Ų113.681%0.8180%0.804SS**  trans82.2107.9131.900000120.8
155S33.4Very low29.2Very low125 Ų125112.9 Ų112.987%0.87480%0.799SS**  -156.2106.9120.5-128.90000111
156S26.5Very low29.8Very low105 Ų105114.7 Ų114.773%0.73480%0.801SS**  trans-75.3143.5159.342.50000109.3
157T26.5Very low30.1Very low132 Ų132115.3 Ų115.381%0.8181%0.805SS**  trans178.8149.7141.925.30000111.7
158S36.1Very low30.3Very low128 Ų128113 Ų11390%0.89580%0.798SS**  trans78.3104.6-177.270.50000114.9
159G28.5Very low30.6Very low64 Ų64111.8 Ų111.866%0.6679%0.793SS**  cis127.8122.921.200000107.4
160P31.1Very low31.1Very low125 Ų125112.8 Ų112.881%0.81279%0.794SS**  trans-78.4128.1-169.730.6-32.6000111.6S162P160-S162 PolarHBondContact O-N 3.03Å
161T37Very low31.5Very low148 Ų148114.3 Ų114.391%0.90879%0.793SS**  trans-84.9106.3167.9-39.80000109.1
162S29.9Very low31.1Very low103 Ų103113.2 Ų113.272%0.7280%0.795SS**  trans-71.9142.8178.1-53.60000113.3P160P160-S162 PolarHBondContact O-N 3.03Å
163A26.6Very low31.4Very low96 Ų96111.3 Ų111.379%0.79379%0.787SS**  trans34.8122.8145.900000121.3
164S35.4Very low31.9Very low117 Ų117111.4 Ų111.482%0.81879%0.788SS**  trans-137.397.9131.7-163.30000109.1
165S28.5Very low32.5Very low105 Ų105112 Ų11273%0.73478%0.781SS**  trans-75.6123.1164.246.90000109.5
166T35.1Very low32.8Very low131 Ų131109.8 Ų109.880%0.80477%0.766SS**  trans-124.6107.9158.846.20000109
167S30.9Very low33.6Very low122 Ų122110.4 Ų110.485%0.85377%0.765SS**  trans-49.3155162.5-37.40000111.5
168G29.3Very low34.1Very low60 Ų60107.7 Ų107.762%0.61975%0.751SS**  cis-167.8-166.916.100000111.5
169P34.5Very low34.5Very low124 Ų124105.6 Ų105.681%0.80574%0.737SS**  trans-79.6125.2-166.732-31.9000111.2S171P169-S171 PolarHBondContact O-N 3.42Å
170T35.5Very low35.3Very low146 Ų146106.3 Ų106.390%0.89673%0.732SS**  trans-83.6104.2163.7-49.50000107.3
171S34.9Very low36Very low103 Ų103103.4 Ų103.472%0.7272%0.718SS**  trans-44.7135.7175.4-530000111.7P169 S173P169-S171 PolarHBondContact O-N 3.42Å; S171-S173 PolarHBondContact O-N 2.98Å
172A32.8Very low36.6Very low99 Ų9999.8 Ų99.882%0.81870%0.699SS**  trans-53.5101.7167.900000109.4S174A172-S174 VanDerWaalsContact C-N 3.3Å; A172-S174 PolarHBondContact O-N 2.96Å
173S36.5Very low37.5Very low100 Ų10097.3 Ų97.370%0.69968%0.681SS**  trans-70.698.7161.5-175.30000106.1S171 T175S171-S173 PolarHBondContact O-N 2.98Å; S173-T175 PolarHBondContact O-N 2.77Å; S173-T175 PolarHBondContact O-OG1 3.44Å
174S36.1Very low38.7Very low109 Ų10996.2 Ų96.276%0.76267%0.665SS**  trans-51.682.5160.849.20000108.4A172 S176A172-S174 VanDerWaalsContact C-N 3.3Å; A172-S174 PolarHBondContact O-N 2.96Å; S174-S176 VanDerWaalsContact C-N 3.34Å; S174-S176 PolarHBondContact O-N 2.92Å
175T38.3Very low39.6Very low109 Ų10998.1 Ų98.167%0.66966%0.659SS**  trans-73.5101.1170.3-56.10000105.3S173 V177S173-T175 PolarHBondContact O-N 2.77Å; S173-T175 PolarHBondContact O-OG1 3.44Å; T175-V177 VanDerWaalsContact C-N 3.28Å; T175-V177 PolarHBondContact O-N 3.12Å
176S38.2Very low41.2Very low80 Ų8099.3 Ų99.356%0.55965%0.648SS**  trans-51.685.9173.539.50000111.1S174 S178S174-S176 VanDerWaalsContact C-N 3.34Å; S174-S176 PolarHBondContact O-N 2.92Å; S176-S178 PolarHBondContact O-N 3.44Å; S176-S178 VanDerWaalsContact O-N 3.12Å
177V42.9Very low42.2Very low118 Ų11894.4 Ų94.472%0.71562%0.618SS**THydrogen-bonded Turntrans-671.6162.5-690000112.3T175 S179T175-V177 VanDerWaalsContact C-N 3.28Å; T175-V177 PolarHBondContact O-N 3.12Å; V177-S179 PolarHBondContact O-N 3.17Å
178S38.5Very low43.4Very low74 Ų7497.1 Ų97.152%0.51761%0.611SS.*Hα-helixtrans-63.4-25.6173.4-54.10000112.9S176 S180 S182S176-S178 PolarHBondContact O-N 3.44Å; S176-S178 VanDerWaalsContact O-N 3.12Å; S178-S180 PolarHBondContact O-N 3.02Å; S178-S182 WeakPolarHBondContact O-CB 3.31Å; S178-S182 PolarHBondContact O-N 2.84Å; S178-S182 PolarHBondContact O-OG 3.09Å
179S44.3Very low45.3Very low85 Ų8596.8 Ų96.859%0.59460%0.599SS**Hα-helixtrans-64.2-38.1-172.3-51.80000114.3V177 S183V177-S179 PolarHBondContact O-N 3.17Å; S179-S183 VanDerWaalsContact O-CB 3.3Å; S179-S183 WeakPolarHBondContact O-CB 3.49Å; S179-S183 PolarHBondContact O-N 2.79Å; S179-S183 PolarHBondContact O-OG 3.42Å; S179-S183 VanDerWaalsContact O-OG 3.06Å
180S45.2Very low46.8Very low79 Ų7994.7 Ų94.755%0.55258%0.576SS**Hα-helixtrans-83.3-34.5-177.139.70000113.5S178 S183 T184S178-S180 PolarHBondContact O-N 3.02Å; S180-S183 WeakPolarHBondContact CA-OG 3.33Å; S180-S183 PolarHBondContact O-OG 2.83Å; S180-S183 VanDerWaalsContact O-OG 3.12Å; S180-T184 PolarHBondContact O-N 3.4Å; S180-T184 PolarHBondContact O-OG1 3.05Å
181A44.8Very low48.5Very low63 Ų6391.8 Ų91.852%0.52156%0.555SS.*Hα-helixtrans-72.1-38.5172.300000111.5T184 F185A181-T184 WeakPolarHBondContact CA-OG1 3.13Å; A181-T184 PolarHBondContact O-OG1 3.35Å; A181-T184 VanDerWaalsContact O-OG1 3.08Å; A181-F185 WeakPolarHBondContact O-CB 3.34Å; A181-F185 PolarHBondContact O-N 3.02Å
182S49.5Very low50.3Low72 Ų7291.8 Ų91.850%0.50355%0.546SS..Hα-helixtrans-68.4-40175.7-62.40000112S178 R186S178-S182 WeakPolarHBondContact O-CB 3.31Å; S178-S182 PolarHBondContact O-N 2.84Å; S178-S182 PolarHBondContact O-OG 3.09Å; S182-R186 VanDerWaalsContact O-CB 3.24Å; S182-R186 WeakPolarHBondContact O-CB 3.37Å; S182-R186 PolarHBondContact O-N 3.21Å
183S48.7Very low52.4Low51 Ų5191.7 Ų91.736%0.35753%0.531SS..Hα-helixtrans-67.2-41.8177.762.30000112.5S179 S180 R186 S187S179-S183 VanDerWaalsContact O-CB 3.3Å; S179-S183 WeakPolarHBondContact O-CB 3.49Å; S179-S183 PolarHBondContact O-N 2.79Å; S179-S183 PolarHBondContact O-OG 3.42Å; S179-S183 VanDerWaalsContact O-OG 3.06Å; S180-S183 WeakPolarHBondContact CA-OG 3.33Å; S180-S183 PolarHBondContact O-OG 2.83Å; S180-S183 VanDerWaalsContact O-OG 3.12Å; S183-R186 PolarHBondContact O-N 2.94Å; S183-S187 WeakPolarHBondContact O-CB 3.46Å; S183-S187 PolarHBondContact O-N 3.36Å
184T52.4Low54.2Low74 Ų7489.7 Ų89.745%0.45451%0.51SS..Hα-helixtrans-65.2-47.5175.942.70000112.1S180 A181 R186 S187 Y188S180-T184 PolarHBondContact O-N 3.4Å; S180-T184 PolarHBondContact O-OG1 3.05Å; A181-T184 WeakPolarHBondContact CA-OG1 3.13Å; A181-T184 PolarHBondContact O-OG1 3.35Å; A181-T184 VanDerWaalsContact O-OG1 3.08Å; T184-R186 VanDerWaalsContact C-N 3.3Å; T184-R186 PolarHBondContact O-N 3.27Å; T184-S187 PolarHBondContact O-N 2.89Å; T184-Y188 WeakPolarHBondContact O-CD2 3.28Å; T184-Y188 PolarHBondContact O-N 3.49Å
185F55.4Low56.1Low157 Ų15788.6 Ų88.669%0.68950%0.499SS*.Hα-helixtrans-61.2-40.2178.1-174.6-99.8000112.3A181 S189A181-F185 WeakPolarHBondContact O-CB 3.34Å; A181-F185 PolarHBondContact O-N 3.02Å; F185-S189 WeakPolarHBondContact O-CB 3.28Å; F185-S189 PolarHBondContact O-N 2.96Å; F185-S189 PolarHBondContact O-OG 3.4Å
186R60.6Low58Low130 Ų13091.7 Ų91.749%0.49150%0.499SS..Hα-helixtrans-68.6-42.9178.1-145-175.9175.4-130.43.9111.5S182 S183 T184 S189 Y190S182-R186 VanDerWaalsContact O-CB 3.24Å; S182-R186 WeakPolarHBondContact O-CB 3.37Å; S182-R186 PolarHBondContact O-N 3.21Å; S183-R186 PolarHBondContact O-N 2.94Å; T184-R186 VanDerWaalsContact C-N 3.3Å; T184-R186 PolarHBondContact O-N 3.27Å; R186-S189 PolarHBondContact O-N 3Å; R186-Y190 HydrophobicContact CB-CE2 4.42Å; R186-Y190 HydrophobicContact CG-CD2 4.06Å; R186-Y190 HydrophobicContact CG-CE2 3.51Å; R186-Y190 PolarHBondContact NE-OH 3.28Å; R186-Y190 PolarHBondContact NH2-OH 2.97Å; R186-Y190 WeakPolarHBondContact O-CD2 3.46Å; R186-Y190 PolarHBondContact O-N 3.48Å
187S56.3Low60Low27 Ų2790.5 Ų90.519%0.18949%0.485CS..Hα-helixtrans-64.6-42.7177.1-173.20000111.8E25 S183 T184 S189 Y190 N191E25-S187 PolarHBondContact OE1-OG 3.28Å; E25-S187 PolarHBondContact OE2-OG 2.99Å; S183-S187 WeakPolarHBondContact O-CB 3.46Å; S183-S187 PolarHBondContact O-N 3.36Å; T184-S187 PolarHBondContact O-N 2.89Å; S187-S189 PolarHBondContact O-N 3.44Å; S187-Y190 PolarHBondContact O-N 2.94Å; S187-N191 WeakPolarHBondContact O-CB 3.2Å; S187-N191 PolarHBondContact O-N 2.99Å; S187-N191 PolarHBondContact O-ND2 3.19Å; S187-N191 PolarHBondContact OG-ND2 3.49Å
188Y57.2Low61.6Low179 Ų17986.6 Ų86.670%0.70246%0.46SS*.Hα-helixtrans-61.4-42.5173-83.1-67.5000112.6T184 Y190 N191 L192T184-Y188 WeakPolarHBondContact O-CD2 3.28Å; T184-Y188 PolarHBondContact O-N 3.49Å; Y188-Y190 VanDerWaalsContact C-N 3.33Å; Y188-Y190 PolarHBondContact O-N 3.41Å; Y188-N191 PolarHBondContact O-N 3.22Å; Y188-L192 WeakPolarHBondContact O-CB 3.48Å; Y188-L192 PolarHBondContact O-N 3.44Å
189S68Low63.5Low53 Ų5389.9 Ų89.937%0.37146%0.463SS..Hα-helixtrans-62.5-40.4177.5-59.70000111.7F185 R186 S187 L193F185-S189 WeakPolarHBondContact O-CB 3.28Å; F185-S189 PolarHBondContact O-N 2.96Å; F185-S189 PolarHBondContact O-OG 3.4Å; R186-S189 PolarHBondContact O-N 3Å; S187-S189 PolarHBondContact O-N 3.44Å; S189-L193 VanDerWaalsContact O-CB 3.26Å; S189-L193 WeakPolarHBondContact O-CB 3.33Å; S189-L193 PolarHBondContact O-N 2.94Å
190Y65.6Low64.9Low81 Ų8188.9 Ų88.932%0.31845%0.453SS..Hα-helixtrans-68.2-46.6176.1-76.8-58.2000112.7R186 S187 Y188 L192 L193 F194R186-Y190 HydrophobicContact CB-CE2 4.42Å; R186-Y190 HydrophobicContact CG-CD2 4.06Å; R186-Y190 HydrophobicContact CG-CE2 3.51Å; R186-Y190 PolarHBondContact NE-OH 3.28Å; R186-Y190 PolarHBondContact NH2-OH 2.97Å; R186-Y190 WeakPolarHBondContact O-CD2 3.46Å; R186-Y190 PolarHBondContact O-N 3.48Å; S187-Y190 PolarHBondContact O-N 2.94Å; Y188-Y190 VanDerWaalsContact C-N 3.33Å; Y188-Y190 PolarHBondContact O-N 3.41Å; Y190-L192 VanDerWaalsContact C-N 3.33Å; Y190-L192 PolarHBondContact O-N 3.08Å; Y190-L193 PolarHBondContact O-N 3.4Å; Y190-F194 WeakPolarHBondContact O-CB 3.5Å; Y190-F194 PolarHBondContact O-N 3.4Å
191N71.6Confident66.2Low85 Ų8587.5 Ų87.546%0.45544%0.438SS..Hα-helixtrans-61.6-40.7178.5-78.2-68.5000112S187 Y188 T195S187-N191 WeakPolarHBondContact O-CB 3.2Å; S187-N191 PolarHBondContact O-N 2.99Å; S187-N191 PolarHBondContact O-ND2 3.19Å; S187-N191 PolarHBondContact OG-ND2 3.49Å; Y188-N191 PolarHBondContact O-N 3.22Å; N191-T195 WeakPolarHBondContact O-CB 3.31Å; N191-T195 PolarHBondContact O-N 2.93Å; N191-T195 PolarHBondContact O-OG1 2.83Å
192L74.2Confident67.5Low103 Ų10388.9 Ų88.954%0.53944%0.44SS..Hα-helixtrans-69.3-42.9178-174.261.7000112Y188 Y190 F194 T195 R196Y188-L192 WeakPolarHBondContact O-CB 3.48Å; Y188-L192 PolarHBondContact O-N 3.44Å; Y190-L192 VanDerWaalsContact C-N 3.33Å; Y190-L192 PolarHBondContact O-N 3.08Å; L192-F194 VanDerWaalsContact C-N 3.35Å; L192-T195 PolarHBondContact O-N 2.91Å; L192-R196 WeakPolarHBondContact O-CG 3.26Å; L192-R196 PolarHBondContact O-N 3.37Å
193L74.9Confident68.6Low96 Ų9688 Ų8850%0.50343%0.432SS..Hα-helixtrans-62.9-43.3175.4-175.867.7000111.1S189 Y190 T195 R196 I197S189-L193 VanDerWaalsContact O-CB 3.26Å; S189-L193 WeakPolarHBondContact O-CB 3.33Å; S189-L193 PolarHBondContact O-N 2.94Å; Y190-L193 PolarHBondContact O-N 3.4Å; L193-T195 PolarHBondContact O-N 3.28Å; L193-R196 PolarHBondContact O-N 3.09Å; L193-I197 HydrophobicContact CD1-CD1 4.19Å; L193-I197 HydrophobicContact CD1-CG1 4.48Å; L193-I197 HydrophobicContact CD2-CD1 4.37Å; L193-I197 HydrophobicContact CG-CD1 3.81Å; L193-I197 HydrophobicContact CG-CG1 4.46Å; L193-I197 VanDerWaalsContact O-CG1 3.31Å; L193-I197 WeakPolarHBondContact O-CG1 3.44Å; L193-I197 PolarHBondContact O-N 3.43Å
194F75.2Confident69.9Low58 Ų5889.3 Ų89.325%0.25444%0.435SS..Hα-helixtrans-59-47.5175.9-177.2-99.7000111.6F17 T18 V21 Y190 L192 R196 I197 N198F17-F194 HydrophobicContact CE1-CD2 4.31Å; T18-F194 HydrophobicContact CG2-CE2 3.59Å; T18-F194 HydrophobicContact CG2-CZ 3.47Å; T18-F194 VanDerWaalsContact CG2-CZ 3.47Å; V21-F194 HydrophobicContact CB-CD2 4.37Å; V21-F194 HydrophobicContact CB-CE2 4.47Å; V21-F194 HydrophobicContact CG1-CD2 4.09Å; V21-F194 HydrophobicContact CG2-CD2 4.41Å; Y190-F194 WeakPolarHBondContact O-CB 3.5Å; Y190-F194 PolarHBondContact O-N 3.4Å; L192-F194 VanDerWaalsContact C-N 3.35Å; F194-R196 VanDerWaalsContact C-N 3.32Å; F194-R196 PolarHBondContact O-N 2.96Å; F194-I197 PolarHBondContact O-N 3.48Å; F194-N198 VanDerWaalsContact CD1-ND2 3.32Å; F194-N198 WeakPolarHBondContact CD1-ND2 3.25Å; F194-N198 WeakPolarHBondContact CD2-ND2 3.26Å; F194-N198 WeakPolarHBondContact CE1-ND2 3.45Å; F194-N198 VanDerWaalsContact CE2-ND2 3.28Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.24Å; F194-N198 WeakPolarHBondContact CG-ND2 3.38Å; F194-N198 WeakPolarHBondContact CZ-ND2 3.37Å; F194-N198 WeakPolarHBondContact O-CB 3.37Å; F194-N198 PolarHBondContact O-N 3.16Å; F194-N198 PolarHBondContact O-ND2 3.5Å
195T75.1Confident70.8Confident87 Ų8788.9 Ų88.953%0.53443%0.428SS..Hα-helixtrans-61.2-42.2177.9-55.20000111.2N191 L192 L193 Y199N191-T195 WeakPolarHBondContact O-CB 3.31Å; N191-T195 PolarHBondContact O-N 2.93Å; N191-T195 PolarHBondContact O-OG1 2.83Å; L192-T195 PolarHBondContact O-N 2.91Å; L193-T195 PolarHBondContact O-N 3.28Å; T195-Y199 WeakPolarHBondContact O-CB 3.43Å; T195-Y199 PolarHBondContact O-N 2.99Å
196R80.1Confident71.3Confident174 Ų17483 Ų8366%0.65741%0.406SS*.Hα-helixtrans-65-45.1177.1-76.9-175.4164.8-173.3-3.6112.9L192 L193 F194 Y199 V200L192-R196 WeakPolarHBondContact O-CG 3.26Å; L192-R196 PolarHBondContact O-N 3.37Å; L193-R196 PolarHBondContact O-N 3.09Å; F194-R196 VanDerWaalsContact C-N 3.32Å; F194-R196 PolarHBondContact O-N 2.96Å; R196-Y199 PolarHBondContact O-N 3.03Å; R196-V200 WeakPolarHBondContact O-CG2 3.35Å; R196-V200 PolarHBondContact O-N 3.16Å; R196-V200 VanDerWaalsContact O-N 3.09Å
197I79.8Confident72.1Confident54 Ų5480.8 Ų80.828%0.27740%0.403SS..Hα-helixtrans-63.1-47.4178.4-69.1167.9000110.2F17 L193 F194 Y199 V200 I201F17-I197 HydrophobicContact CE1-CD1 4.27Å; F17-I197 HydrophobicContact CZ-CD1 4.21Å; L193-I197 HydrophobicContact CD1-CD1 4.19Å; L193-I197 HydrophobicContact CD1-CG1 4.48Å; L193-I197 HydrophobicContact CD2-CD1 4.37Å; L193-I197 HydrophobicContact CG-CD1 3.81Å; L193-I197 HydrophobicContact CG-CG1 4.46Å; L193-I197 VanDerWaalsContact O-CG1 3.31Å; L193-I197 WeakPolarHBondContact O-CG1 3.44Å; L193-I197 PolarHBondContact O-N 3.43Å; F194-I197 PolarHBondContact O-N 3.48Å; I197-Y199 VanDerWaalsContact C-N 3.34Å; I197-Y199 PolarHBondContact O-N 3.27Å; I197-V200 PolarHBondContact O-N 3.09Å; I197-I201 HydrophobicContact CG2-CD1 3.72Å; I197-I201 WeakPolarHBondContact O-CG1 3.39Å; I197-I201 PolarHBondContact O-N 3.34Å; I197-I201 VanDerWaalsContact O-N 3.08Å
198N76.1Confident73Confident36 Ų3682.8 Ų82.819%0.19341%0.411CS..Hα-helixtrans-61.2-43.3178-78.2-76.8000111.5F194 V200 I201 T202F194-N198 VanDerWaalsContact CD1-ND2 3.32Å; F194-N198 WeakPolarHBondContact CD1-ND2 3.25Å; F194-N198 WeakPolarHBondContact CD2-ND2 3.26Å; F194-N198 WeakPolarHBondContact CE1-ND2 3.45Å; F194-N198 VanDerWaalsContact CE2-ND2 3.28Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.24Å; F194-N198 WeakPolarHBondContact CG-ND2 3.38Å; F194-N198 WeakPolarHBondContact CZ-ND2 3.37Å; F194-N198 WeakPolarHBondContact O-CB 3.37Å; F194-N198 PolarHBondContact O-N 3.16Å; F194-N198 PolarHBondContact O-ND2 3.5Å; N198-V200 PolarHBondContact O-N 3.3Å; N198-I201 PolarHBondContact O-N 2.99Å; N198-T202 PolarHBondContact O-N 3.13Å; N198-T202 PolarHBondContact O-OG1 3.04Å
199Y77.5Confident73.5Confident144 Ų14476.5 Ų76.557%0.56539%0.389SS*.Hα-helixtrans-58.2-44.7176.6179.2-96.2000112.8T195 R196 I197 I201 V203T195-Y199 WeakPolarHBondContact O-CB 3.43Å; T195-Y199 PolarHBondContact O-N 2.99Å; R196-Y199 PolarHBondContact O-N 3.03Å; I197-Y199 VanDerWaalsContact C-N 3.34Å; I197-Y199 PolarHBondContact O-N 3.27Å; Y199-I201 VanDerWaalsContact C-N 3.32Å; Y199-I201 PolarHBondContact O-N 3.43Å; Y199-V203 HydrophobicContact CD2-CB 4.25Å; Y199-V203 HydrophobicContact CD2-CG2 3.77Å; Y199-V203 HydrophobicContact CE2-CB 4.06Å; Y199-V203 HydrophobicContact CE2-CG1 4.16Å; Y199-V203 HydrophobicContact CE2-CG2 3.82Å; Y199-V203 HydrophobicContact CG-CG2 4.47Å; Y199-V203 VanDerWaalsContact O-CB 3.26Å; Y199-V203 WeakPolarHBondContact O-CB 3.19Å; Y199-V203 PolarHBondContact O-N 3.24Å
200V75.1Confident73.8Confident63 Ų6378.2 Ų78.238%0.38240%0.401SS..Iπ-helixtrans-62.6-41.4177.6173.60000111R196 I197 N198 L204 M205R196-V200 WeakPolarHBondContact O-CG2 3.35Å; R196-V200 PolarHBondContact O-N 3.16Å; R196-V200 VanDerWaalsContact O-N 3.09Å; I197-V200 PolarHBondContact O-N 3.09Å; N198-V200 PolarHBondContact O-N 3.3Å; V200-L204 HydrophobicContact CG1-CB 4.34Å; V200-L204 HydrophobicContact CG1-CD2 4.17Å; V200-L204 WeakPolarHBondContact O-CA 3.44Å; V200-L204 WeakPolarHBondContact O-CB 3.31Å; V200-L204 PolarHBondContact O-N 3.12Å; V200-L204 VanDerWaalsContact O-N 3.12Å; V200-M205 PolarHBondContact O-N 3.29Å; V200-M205 VanDerWaalsContact O-N 3.09Å
201I72.6Confident74.3Confident50 Ų5084.4 Ų84.426%0.25642%0.424SS..Iπ-helixtrans-74.9-43.8-177.2-60.6168.9000111.8I10 T14 I197 N198 Y199 M205I10-I201 HydrophobicContact CG2-CG2 3.79Å; T14-I201 HydrophobicContact CG2-CB 4.43Å; T14-I201 HydrophobicContact CG2-CD1 3.78Å; T14-I201 HydrophobicContact CG2-CG2 3.68Å; I197-I201 HydrophobicContact CG2-CD1 3.72Å; I197-I201 WeakPolarHBondContact O-CG1 3.39Å; I197-I201 PolarHBondContact O-N 3.34Å; I197-I201 VanDerWaalsContact O-N 3.08Å; N198-I201 PolarHBondContact O-N 2.99Å; Y199-I201 VanDerWaalsContact C-N 3.32Å; Y199-I201 PolarHBondContact O-N 3.43Å; I201-M205 WeakPolarHBondContact O-CB 3.19Å
202T71.3Confident74.4Confident92 Ų9286.9 Ų86.956%0.56444%0.435SS*.Iπ-helixtrans-84.9-24.6-174.361.20000113.6N198 P206N198-T202 PolarHBondContact O-N 3.13Å; N198-T202 PolarHBondContact O-OG1 3.04Å; T202-P206 VanDerWaalsContact O-CG 3.24Å; T202-P206 WeakPolarHBondContact O-CG 3.45Å
203V73.7Confident73.9Confident53 Ų5390.1 Ų90.132%0.32145%0.452SS..Iπ-helixtrans-109.9-49-176.8-1730000111.4Y199 P206 I207Y199-V203 HydrophobicContact CD2-CB 4.25Å; Y199-V203 HydrophobicContact CD2-CG2 3.77Å; Y199-V203 HydrophobicContact CE2-CB 4.06Å; Y199-V203 HydrophobicContact CE2-CG1 4.16Å; Y199-V203 HydrophobicContact CE2-CG2 3.82Å; Y199-V203 HydrophobicContact CG-CG2 4.47Å; Y199-V203 VanDerWaalsContact O-CB 3.26Å; Y199-V203 WeakPolarHBondContact O-CB 3.19Å; Y199-V203 PolarHBondContact O-N 3.24Å; V203-P206 WeakPolarHBondContact O-CD 3.3Å; V203-P206 WeakPolarHBondContact O-CG 3.44Å; V203-I207 HydrophobicContact CG1-CD1 4.1Å; V203-I207 WeakPolarHBondContact O-CD1 3.47Å; V203-I207 WeakPolarHBondContact O-CG1 3.43Å
204L74.2Confident73.8Confident79 Ų7989.8 Ų89.841%0.41445%0.45SS..Iπ-helixtrans-77.7-41.7-172.2-159.976.7000112.7V200 I207 I208V200-L204 HydrophobicContact CG1-CB 4.34Å; V200-L204 HydrophobicContact CG1-CD2 4.17Å; V200-L204 WeakPolarHBondContact O-CA 3.44Å; V200-L204 WeakPolarHBondContact O-CB 3.31Å; V200-L204 PolarHBondContact O-N 3.12Å; V200-L204 VanDerWaalsContact O-N 3.12Å; L204-I207 PolarHBondContact O-N 3.44Å; L204-I208 HydrophobicContact CD2-CD1 4.11Å; L204-I208 HydrophobicContact CG-CD1 3.9Å; L204-I208 WeakPolarHBondContact O-CG1 3.36Å; L204-I208 PolarHBondContact O-N 3.45Å
205M71.5Confident73.7Confident66 Ų6691.5 Ų91.533%0.32546%0.46SS..Hα-helixtrans-59.7-48.4179-71.3-66.7107.700114.2V200 I201 I207 I208 I209V200-M205 PolarHBondContact O-N 3.29Å; V200-M205 VanDerWaalsContact O-N 3.09Å; I201-M205 WeakPolarHBondContact O-CB 3.19Å; M205-I207 VanDerWaalsContact C-N 3.26Å; M205-I207 PolarHBondContact O-N 2.92Å; M205-I208 HydrophobicContact CE-CD1 3.59Å; M205-I208 PolarHBondContact O-N 2.9Å; M205-I209 VanDerWaalsContact O-CG1 3.3Å; M205-I209 WeakPolarHBondContact O-CG1 3.49Å; M205-I209 PolarHBondContact O-N 3.04Å
206P67.7Low73.6Confident33 Ų3391.7 Ų91.721%0.21446%0.456CS..Hα-helixtrans-63.1-34.2177.721.5-30.8000112.1T202 V203 I209 S210T202-P206 VanDerWaalsContact O-CG 3.24Å; T202-P206 WeakPolarHBondContact O-CG 3.45Å; V203-P206 WeakPolarHBondContact O-CD 3.3Å; V203-P206 WeakPolarHBondContact O-CG 3.44Å; P206-I209 PolarHBondContact O-N 3.16Å; P206-S210 WeakPolarHBondContact O-CB 3.21Å; P206-S210 PolarHBondContact O-N 3.47Å; P206-S210 PolarHBondContact O-OG 3.47Å
207I76.5Confident73.3Confident83 Ų8386.9 Ų86.943%0.42644%0.444SS..Hα-helixtrans-64.9-42.2175.4-64.5168.5000111.1V203 L204 M205 R211V203-I207 HydrophobicContact CG1-CD1 4.1Å; V203-I207 WeakPolarHBondContact O-CD1 3.47Å; V203-I207 WeakPolarHBondContact O-CG1 3.43Å; L204-I207 PolarHBondContact O-N 3.44Å; M205-I207 VanDerWaalsContact C-N 3.26Å; M205-I207 PolarHBondContact O-N 2.92Å; I207-R211 WeakPolarHBondContact O-CG 3.35Å; I207-R211 PolarHBondContact O-N 3Å
208I74.4Confident72.9Confident69 Ų6988.9 Ų88.935%0.35445%0.454SS..Hα-helixtrans-65.3-45.2177.2-69.5163.1000110.5L204 M205 S210 R211 I212L204-I208 HydrophobicContact CD2-CD1 4.11Å; L204-I208 HydrophobicContact CG-CD1 3.9Å; L204-I208 WeakPolarHBondContact O-CG1 3.36Å; L204-I208 PolarHBondContact O-N 3.45Å; M205-I208 HydrophobicContact CE-CD1 3.59Å; M205-I208 PolarHBondContact O-N 2.9Å; I208-S210 PolarHBondContact O-N 3.19Å; I208-R211 PolarHBondContact O-N 3.27Å; I208-R211 VanDerWaalsContact O-N 3.13Å; I208-I212 HydrophobicContact CG2-CD1 3.68Å; I208-I212 WeakPolarHBondContact O-CG1 3.34Å; I208-I212 PolarHBondContact O-N 2.98Å; I208-I212 VanDerWaalsContact O-N 3.17Å
209I69Low72.6Confident48 Ų4892.5 Ų92.525%0.24647%0.472CS..Hα-helixtrans-62.4-44.4178.6-66.5165.5000110.8Y7 M205 P206 R211 I212 L213Y7-I209 HydrophobicContact CE2-CD1 4.44Å; M205-I209 VanDerWaalsContact O-CG1 3.3Å; M205-I209 WeakPolarHBondContact O-CG1 3.49Å; M205-I209 PolarHBondContact O-N 3.04Å; P206-I209 PolarHBondContact O-N 3.16Å; I209-R211 PolarHBondContact O-N 3.17Å; I209-R211 VanDerWaalsContact O-N 3.16Å; I209-I212 PolarHBondContact O-N 3.13Å; I209-L213 HydrophobicContact CG2-CD1 3.73Å; I209-L213 PolarHBondContact O-N 3.49Å
210S74.4Confident72.3Confident89 Ų8988.8 Ų88.862%0.62247%0.465SS*.Hα-helixtrans-65.8-12.7176.8-64.10000114.4P206 I208P206-S210 WeakPolarHBondContact O-CB 3.21Å; P206-S210 PolarHBondContact O-N 3.47Å; P206-S210 PolarHBondContact O-OG 3.47Å; I208-S210 PolarHBondContact O-N 3.19Å
211R75.1Confident72.1Confident211 Ų21190.8 Ų90.880%0.79647%0.472SS*.Hα-helixtrans-96.5-17172.1-75.2-173.3176-179.6-0.3113.4I207 I208 I209I207-R211 WeakPolarHBondContact O-CG 3.35Å; I207-R211 PolarHBondContact O-N 3Å; I208-R211 PolarHBondContact O-N 3.27Å; I208-R211 VanDerWaalsContact O-N 3.13Å; I209-R211 PolarHBondContact O-N 3.17Å; I209-R211 VanDerWaalsContact O-N 3.16Å
212I74.3Confident72Confident136 Ų13694.2 Ų94.270%0.69749%0.49SS*.Hα-helixtrans-90.8-32.3177.5-65.6166.2000110.5I208 I209I208-I212 HydrophobicContact CG2-CD1 3.68Å; I208-I212 WeakPolarHBondContact O-CG1 3.34Å; I208-I212 PolarHBondContact O-N 2.98Å; I208-I212 VanDerWaalsContact O-N 3.17Å; I209-I212 PolarHBondContact O-N 3.13Å
213L62.5Low72.1Confident171 Ų17194.4 Ų94.490%0.89548%0.483SS*.  trans-73.40163.9-89.990.9000111T3 I209T3-L213 HydrophobicContact CG2-CD1 4.46Å; I209-L213 HydrophobicContact CG2-CD1 3.73Å; I209-L213 PolarHBondContact O-N 3.49Å

Retrieved 213 of 213 residues in 122.9 ms (Link to these results)

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