A0A093I2G1_STRCA Loading...

acylglycerol lipase

Lipase that preferentially hydrolysis medium-chain saturated monoacylglycerols including 2-arachidonoylglycerol. Through 2-arachidonoylglycerol degradation may regulate endocannabinoid signaling pathways. Also has a lysophosphatidyl lipase activity with a preference for lysophosphatidylglycerol among other lysophospholipids. Also able to degrade bis(monoacylglycero)phosphate (BMP) and constitutes the major enzyme for BMP catabolism. BMP, also known as lysobisphosphatidic acid, is enriched in late endosomes and lysosomes and plays a key role in the formation of intraluminal vesicles and in lipid sorting.

AlphaFold DB , UniProt , Accession A0A093I2G1, Species STRCA (Struthio camelus australis), Gene n/a, Length 338 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
1M55.7Low73.9Confident178 Ų178111.2 Ų111.288%0.87758%0.577SS**  0108.80-168.3174.27100105.5V5 L6M1-V5 HydrophobicContact CG-CB 4.3Å; M1-V5 HydrophobicContact CG-CG1 4.13Å; M1-L6 HydrophobicContact CE-CB 4.3Å; M1-L6 HydrophobicContact CE-CD1 3.92Å
2D75.4Confident73.9Confident122 Ų122105.5 Ų105.565%0.65256%0.559SS**  trans-59.2143.4-172.4-69.7-41.6000111.1D4 V5 L6D2-D4 PolarHBondContact O-N 3.25Å; D2-V5 HydrophobicContact CB-CG2 4.33Å; D2-V5 WeakPolarHBondContact O-CB 3.44Å; D2-V5 PolarHBondContact O-N 3.18Å; D2-L6 PolarHBondContact O-N 3.11Å
3L68.6Low73.9Confident130 Ų130100.2 Ų100.268%0.68155%0.545SS*.Hα-helixtrans-52.7-30.9180-162.373.6000111.5L6 N7L3-L6 PolarHBondContact O-N 3.22Å; L3-N7 WeakPolarHBondContact O-CB 3.18Å; L3-N7 VanDerWaalsContact O-CG 3.29Å; L3-N7 PolarHBondContact O-N 2.99Å; L3-N7 PolarHBondContact O-ND2 3.23Å
4D75.7Confident73.8Confident125 Ų12594.8 Ų94.867%0.66852%0.524SS*.Hα-helixtrans-67.7-36.5175.8-70.7-26.6000113.5D2 M8D2-D4 PolarHBondContact O-N 3.25Å; D4-M8 VanDerWaalsContact O-CB 3.27Å; D4-M8 WeakPolarHBondContact O-CB 3.5Å; D4-M8 PolarHBondContact O-N 3.11Å
5V73.3Confident74.4Confident52 Ų5294.7 Ų94.732%0.31553%0.527SS..Hα-helixtrans-70-41177.1177.50000110M1 D2 M8 F9M1-V5 HydrophobicContact CG-CB 4.3Å; M1-V5 HydrophobicContact CG-CG1 4.13Å; D2-V5 HydrophobicContact CB-CG2 4.33Å; D2-V5 WeakPolarHBondContact O-CB 3.44Å; D2-V5 PolarHBondContact O-N 3.18Å; V5-M8 PolarHBondContact O-N 3.39Å; V5-F9 HydrophobicContact CG1-CD2 3.8Å; V5-F9 HydrophobicContact CG1-CE2 3.5Å; V5-F9 VanDerWaalsContact CG1-CE2 3.5Å; V5-F9 WeakPolarHBondContact O-CD2 3.4Å; V5-F9 PolarHBondContact O-N 3.46Å
6L76.2Confident74.8Confident82 Ų8296.3 Ų96.343%0.42953%0.533SS..Hα-helixtrans-64.3-45.9175.5-175.665.2000111.6M1 D2 L3 M8 F9 V10M1-L6 HydrophobicContact CE-CB 4.3Å; M1-L6 HydrophobicContact CE-CD1 3.92Å; D2-L6 PolarHBondContact O-N 3.11Å; L3-L6 PolarHBondContact O-N 3.22Å; L6-M8 VanDerWaalsContact C-N 3.33Å; L6-M8 PolarHBondContact O-N 3.5Å; L6-F9 PolarHBondContact O-N 3.13Å; L6-V10 WeakPolarHBondContact O-CG2 3.45Å; L6-V10 PolarHBondContact O-N 3.24Å
7N79.1Confident75.4Confident79 Ų7993.1 Ų93.142%0.42252%0.523SS..Hα-helixtrans-62.1-40.2176.3-75.7-23.2000112L3 F9 V10 I11L3-N7 WeakPolarHBondContact O-CB 3.18Å; L3-N7 VanDerWaalsContact O-CG 3.29Å; L3-N7 PolarHBondContact O-N 2.99Å; L3-N7 PolarHBondContact O-ND2 3.23Å; N7-F9 PolarHBondContact O-N 3.21Å; N7-V10 PolarHBondContact O-N 3.33Å; N7-I11 WeakPolarHBondContact O-CB 3.34Å; N7-I11 WeakPolarHBondContact O-CD1 3.42Å; N7-I11 WeakPolarHBondContact O-CG1 3.4Å; N7-I11 PolarHBondContact O-N 3.36Å
8M76.4Confident76Confident115 Ų11594.5 Ų94.557%0.56753%0.527SS*.Hα-helixtrans-61.7-42.3174.7-172.2-178.167.200111.8D4 V5 L6 I11 A12D4-M8 VanDerWaalsContact O-CB 3.27Å; D4-M8 WeakPolarHBondContact O-CB 3.5Å; D4-M8 PolarHBondContact O-N 3.11Å; V5-M8 PolarHBondContact O-N 3.39Å; L6-M8 VanDerWaalsContact C-N 3.33Å; L6-M8 PolarHBondContact O-N 3.5Å; M8-I11 PolarHBondContact O-N 3.06Å; M8-A12 WeakPolarHBondContact O-CB 3.46Å; M8-A12 PolarHBondContact O-N 3.02Å
9F76.3Confident76.6Confident128 Ų12893.5 Ų93.556%0.56153%0.526SS*.Hα-helixtrans-67.4-36.3174.9-79.4-63.8000113.2V5 L6 N7 G13V5-F9 HydrophobicContact CG1-CD2 3.8Å; V5-F9 HydrophobicContact CG1-CE2 3.5Å; V5-F9 VanDerWaalsContact CG1-CE2 3.5Å; V5-F9 WeakPolarHBondContact O-CD2 3.4Å; V5-F9 PolarHBondContact O-N 3.46Å; L6-F9 PolarHBondContact O-N 3.13Å; N7-F9 PolarHBondContact O-N 3.21Å; F9-G13 WeakPolarHBondContact O-CA 3.35Å; F9-G13 PolarHBondContact O-N 3.39Å
10V78.3Confident77.1Confident96 Ų9694 Ų9458%0.58253%0.526SS*.Hα-helixtrans-68-41.9175.5171.80000111L6 N7 G14L6-V10 WeakPolarHBondContact O-CG2 3.45Å; L6-V10 PolarHBondContact O-N 3.24Å; N7-V10 PolarHBondContact O-N 3.33Å; V10-G14 PolarHBondContact O-N 3.17Å
11I78.3Confident77.6Confident116 Ų11695.1 Ų95.160%0.59553%0.53SS*.Hα-helixtrans-68.7-44.7177.3-67.1165.3000110.8N7 M8 G14 T15N7-I11 WeakPolarHBondContact O-CB 3.34Å; N7-I11 WeakPolarHBondContact O-CD1 3.42Å; N7-I11 WeakPolarHBondContact O-CG1 3.4Å; N7-I11 PolarHBondContact O-N 3.36Å; M8-I11 PolarHBondContact O-N 3.06Å; I11-G14 PolarHBondContact O-N 3.35Å; I11-T15 WeakPolarHBondContact O-CB 3.49Å; I11-T15 PolarHBondContact O-N 3.31Å; I11-T15 PolarHBondContact O-OG1 2.93Å
12A73.3Confident79Confident43 Ų4389 Ų8936%0.35551%0.508SS..Hα-helixtrans-66.5-4117700000111.7M8 T15 L16M8-A12 WeakPolarHBondContact O-CB 3.46Å; M8-A12 PolarHBondContact O-N 3.02Å; A12-T15 VanDerWaalsContact CA-OG1 3.3Å; A12-T15 WeakPolarHBondContact CA-OG1 3.41Å; A12-T15 PolarHBondContact O-OG1 3.19Å; A12-T15 VanDerWaalsContact O-OG1 3.11Å; A12-L16 PolarHBondContact O-N 2.98Å
13G74.2Confident79.5Confident37 Ų3788.9 Ų88.938%0.38150%0.502SS..Hα-helixtrans-63.3-45.1173.800000111.6F9 L16 A17F9-G13 WeakPolarHBondContact O-CA 3.35Å; F9-G13 PolarHBondContact O-N 3.39Å; G13-L16 PolarHBondContact O-N 3.28Å; G13-A17 WeakPolarHBondContact O-CA 3.47Å; G13-A17 WeakPolarHBondContact O-CB 3.22Å; G13-A17 PolarHBondContact O-N 3.43Å
14G72.8Confident80.4Confident24 Ų2485.8 Ų85.825%0.24749%0.488CS..Hα-helixtrans-64.9-42.8176.400000113.3V10 I11 L16 I18V10-G14 PolarHBondContact O-N 3.17Å; I11-G14 PolarHBondContact O-N 3.35Å; G14-L16 VanDerWaalsContact C-N 3.26Å; G14-L16 PolarHBondContact O-N 2.96Å; G14-I18 VanDerWaalsContact O-CB 3.26Å; G14-I18 WeakPolarHBondContact O-CB 3.32Å; G14-I18 WeakPolarHBondContact O-CD1 3.42Å; G14-I18 WeakPolarHBondContact O-CG1 3.5Å; G14-I18 PolarHBondContact O-N 3.32Å
15T82Confident80.9Confident93 Ų9381.6 Ų81.657%0.57147%0.471SS*.Hα-helixtrans-66.3-25178.835.20000113.5I11 A12 P19I11-T15 WeakPolarHBondContact O-CB 3.49Å; I11-T15 PolarHBondContact O-N 3.31Å; I11-T15 PolarHBondContact O-OG1 2.93Å; A12-T15 VanDerWaalsContact CA-OG1 3.3Å; A12-T15 WeakPolarHBondContact CA-OG1 3.41Å; A12-T15 PolarHBondContact O-OG1 3.19Å; A12-T15 VanDerWaalsContact O-OG1 3.11Å; T15-P19 WeakPolarHBondContact O-CD 3.32Å; T15-P19 VanDerWaalsContact O-CG 3.23Å; T15-P19 WeakPolarHBondContact O-CG 3.44Å
16L81.3Confident81.4Confident120 Ų12080.8 Ų80.863%0.62847%0.468SS*.Hα-helixtrans-95.6-43174.6-70.2169.9000112.9A12 G13 G14 P19 I20A12-L16 PolarHBondContact O-N 2.98Å; G13-L16 PolarHBondContact O-N 3.28Å; G14-L16 VanDerWaalsContact C-N 3.26Å; G14-L16 PolarHBondContact O-N 2.96Å; L16-P19 WeakPolarHBondContact O-CD 3.32Å; L16-I20 WeakPolarHBondContact O-CB 3.43Å; L16-I20 VanDerWaalsContact O-CD1 3.28Å; L16-I20 WeakPolarHBondContact O-CD1 3.37Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 3.21Å
17A84.7Confident81.9Confident43 Ų4379.1 Ų79.136%0.35546%0.457SS..Hα-helixtrans-70.4-39.3-175.800000112.4G13 I20 L21G13-A17 WeakPolarHBondContact O-CA 3.47Å; G13-A17 WeakPolarHBondContact O-CB 3.22Å; G13-A17 PolarHBondContact O-N 3.43Å; A17-I20 PolarHBondContact O-N 3.47Å; A17-L21 VanDerWaalsContact O-CB 3.31Å; A17-L21 WeakPolarHBondContact O-CB 3.33Å; A17-L21 VanDerWaalsContact O-CG 3.24Å; A17-L21 WeakPolarHBondContact O-CG 3.44Å; A17-L21 PolarHBondContact O-N 3.43Å
18I86.1Confident82.1Confident118 Ų11880.1 Ų80.161%0.60546%0.462SS*.Hα-helixtrans-63.9-49.5-178-64.6168.2000111.2G14 I20 L21 A22G14-I18 VanDerWaalsContact O-CB 3.26Å; G14-I18 WeakPolarHBondContact O-CB 3.32Å; G14-I18 WeakPolarHBondContact O-CD1 3.42Å; G14-I18 WeakPolarHBondContact O-CG1 3.5Å; G14-I18 PolarHBondContact O-N 3.32Å; I18-I20 VanDerWaalsContact C-N 3.33Å; I18-I20 PolarHBondContact O-N 2.92Å; I18-L21 PolarHBondContact O-N 2.91Å; I18-A22 VanDerWaalsContact O-CB 3.27Å; I18-A22 WeakPolarHBondContact O-CB 3.4Å; I18-A22 PolarHBondContact O-N 3.26Å
19P87Confident82.7Confident76 Ų7680.1 Ų80.149%0.49446%0.464SS..Hα-helixtrans-62.5-36.9175.6-25.336.3000113.5T15 L16 F23T15-P19 WeakPolarHBondContact O-CD 3.32Å; T15-P19 VanDerWaalsContact O-CG 3.23Å; T15-P19 WeakPolarHBondContact O-CG 3.44Å; L16-P19 WeakPolarHBondContact O-CD 3.32Å; P19-F23 VanDerWaalsContact O-CB 3.31Å; P19-F23 WeakPolarHBondContact O-CB 3.49Å; P19-F23 PolarHBondContact O-N 3.19Å
20I87.2Confident83.4Confident103 Ų10381.3 Ų81.353%0.52846%0.464SS..Hα-helixtrans-65.6-48.7177-68.8168.6000110.3L16 A17 I18 A22 F23 V24L16-I20 WeakPolarHBondContact O-CB 3.43Å; L16-I20 VanDerWaalsContact O-CD1 3.28Å; L16-I20 WeakPolarHBondContact O-CD1 3.37Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 3.21Å; A17-I20 PolarHBondContact O-N 3.47Å; I18-I20 VanDerWaalsContact C-N 3.33Å; I18-I20 PolarHBondContact O-N 2.92Å; I20-A22 VanDerWaalsContact C-N 3.34Å; I20-A22 PolarHBondContact O-N 2.55Å; I20-F23 PolarHBondContact O-N 3.46Å; I20-V24 HydrophobicContact CG2-CG2 4.35Å; I20-V24 WeakPolarHBondContact O-CB 3.35Å; I20-V24 VanDerWaalsContact O-CG2 3.29Å; I20-V24 WeakPolarHBondContact O-CG2 3.4Å; I20-V24 PolarHBondContact O-N 2.92Å
21L88Confident84Confident117 Ų11777.3 Ų77.361%0.61344%0.441SS*.Hα-helixtrans-62.9-41.4177.7-72.8171.1000111.5A17 I18 F23 V24 A25A17-L21 VanDerWaalsContact O-CB 3.31Å; A17-L21 WeakPolarHBondContact O-CB 3.33Å; A17-L21 VanDerWaalsContact O-CG 3.24Å; A17-L21 WeakPolarHBondContact O-CG 3.44Å; A17-L21 PolarHBondContact O-N 3.43Å; I18-L21 PolarHBondContact O-N 2.91Å; L21-F23 VanDerWaalsContact C-N 3.35Å; L21-F23 PolarHBondContact O-N 3.41Å; L21-V24 PolarHBondContact O-N 3.23Å; L21-A25 WeakPolarHBondContact O-CB 3.35Å; L21-A25 PolarHBondContact O-N 3.48Å
22A84.8Confident84.6Confident50 Ų5073.3 Ų73.341%0.41342%0.423SS..Hα-helixtrans-62.7-40.9174.700000111.9I18 I20 S26I18-A22 VanDerWaalsContact O-CB 3.27Å; I18-A22 WeakPolarHBondContact O-CB 3.4Å; I18-A22 PolarHBondContact O-N 3.26Å; I20-A22 VanDerWaalsContact C-N 3.34Å; I20-A22 PolarHBondContact O-N 2.55Å; A22-S26 VanDerWaalsContact O-CB 3.27Å; A22-S26 WeakPolarHBondContact O-CB 3.46Å; A22-S26 PolarHBondContact O-N 3.28Å; A22-S26 PolarHBondContact O-OG 2.81Å
23F85.9Confident85.5Confident119 Ų11972.9 Ų72.952%0.52242%0.419SS..Hα-helixtrans-64.9-47.4174.5177-96.3000111.7P19 I20 L21 S26 F27 L34P19-F23 VanDerWaalsContact O-CB 3.31Å; P19-F23 WeakPolarHBondContact O-CB 3.49Å; P19-F23 PolarHBondContact O-N 3.19Å; I20-F23 PolarHBondContact O-N 3.46Å; L21-F23 VanDerWaalsContact C-N 3.35Å; L21-F23 PolarHBondContact O-N 3.41Å; F23-S26 PolarHBondContact O-N 3.48Å; F23-F27 VanDerWaalsContact O-CB 3.28Å; F23-F27 WeakPolarHBondContact O-CB 3.41Å; F23-F27 PolarHBondContact O-N 3.3Å; F23-L34 HydrophobicContact CD2-CD2 4.4Å; F23-L34 HydrophobicContact CE2-CD1 4.32Å; F23-L34 HydrophobicContact CE2-CD2 4.25Å
24V87.1Confident86.4Confident66 Ų6672.6 Ų72.640%0.441%0.409SS..Hα-helixtrans-61.7-46.5178.2171.20000110.6I20 L21 S26 F27 L28I20-V24 HydrophobicContact CG2-CG2 4.35Å; I20-V24 WeakPolarHBondContact O-CB 3.35Å; I20-V24 VanDerWaalsContact O-CG2 3.29Å; I20-V24 WeakPolarHBondContact O-CG2 3.4Å; I20-V24 PolarHBondContact O-N 2.92Å; L21-V24 PolarHBondContact O-N 3.23Å; V24-S26 PolarHBondContact O-N 3.07Å; V24-F27 PolarHBondContact O-N 3.46Å; V24-L28 HydrophobicContact CG1-CD1 3.83Å; V24-L28 HydrophobicContact CG1-CG 4.45Å; V24-L28 WeakPolarHBondContact O-CB 3.22Å; V24-L28 VanDerWaalsContact O-CG 3.29Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 2.99Å
25A87.8Confident87.4Confident37 Ų3772.1 Ų72.131%0.30640%0.401SS..Hα-helixtrans-60.5-44.7175.800000111.3L21 F27 L28 L29L21-A25 WeakPolarHBondContact O-CB 3.35Å; L21-A25 PolarHBondContact O-N 3.48Å; A25-F27 PolarHBondContact O-N 3.16Å; A25-L28 PolarHBondContact O-N 3.13Å; A25-L29 VanDerWaalsContact O-CB 3.24Å; A25-L29 WeakPolarHBondContact O-CB 3.48Å; A25-L29 WeakPolarHBondContact O-CG 3.36Å; A25-L29 PolarHBondContact O-N 3.41Å
26S83.4Confident88Confident35 Ų3574.2 Ų74.225%0.24540%0.398CS..Hα-helixtrans-64.2-39176.5-58.80000112.5A22 F23 V24 L28 W30A22-S26 VanDerWaalsContact O-CB 3.27Å; A22-S26 WeakPolarHBondContact O-CB 3.46Å; A22-S26 PolarHBondContact O-N 3.28Å; A22-S26 PolarHBondContact O-OG 2.81Å; F23-S26 PolarHBondContact O-N 3.48Å; V24-S26 PolarHBondContact O-N 3.07Å; S26-L28 VanDerWaalsContact C-N 3.34Å; S26-W30 CarbonylContact O-C 3.52Å; S26-W30 WeakPolarHBondContact O-CA 3.43Å; S26-W30 PolarHBondContact O-N 3.01Å
27F85.6Confident88.6Confident46 Ų4673.2 Ų73.220%0.20239%0.392CS..Hα-helixtrans-65.9-36.2177.6-178.5-99.1000112.6F23 V24 A25 L34 P226 Q228 I229F23-F27 VanDerWaalsContact O-CB 3.28Å; F23-F27 WeakPolarHBondContact O-CB 3.41Å; F23-F27 PolarHBondContact O-N 3.3Å; V24-F27 PolarHBondContact O-N 3.46Å; A25-F27 PolarHBondContact O-N 3.16Å; F27-L34 VanDerWaalsContact CA-CD1 3.48Å; F27-L34 HydrophobicContact CB-CD1 3.73Å; F27-L34 HydrophobicContact CD2-CD1 3.67Å; F27-L34 HydrophobicContact CG-CD1 4.19Å; F27-P226 HydrophobicContact CZ-CB 4.4Å; F27-Q228 HydrophobicContact CD1-CB 4.09Å; F27-Q228 HydrophobicContact CD1-CG 4Å; F27-Q228 HydrophobicContact CD2-CB 4.44Å; F27-Q228 HydrophobicContact CE1-CB 3.55Å; F27-Q228 HydrophobicContact CE1-CG 3.54Å; F27-Q228 HydrophobicContact CE2-CB 3.94Å; F27-Q228 HydrophobicContact CZ-CB 3.47Å; F27-Q228 VanDerWaalsContact CZ-CB 3.47Å; F27-Q228 HydrophobicContact CZ-CG 4Å; F27-I229 HydrophobicContact CD2-CD1 4.49Å; F27-I229 HydrophobicContact CE2-CD1 3.81Å; F27-I229 HydrophobicContact CE2-CG1 4.07Å
28L84.5Confident89.1Confident101 Ų10177 Ų7753%0.52940%0.398SS..Hα-helixtrans-85.1-38.6-179.4-65.4174.9000113V24 A25 S26 Q228V24-L28 HydrophobicContact CG1-CD1 3.83Å; V24-L28 HydrophobicContact CG1-CG 4.45Å; V24-L28 WeakPolarHBondContact O-CB 3.22Å; V24-L28 VanDerWaalsContact O-CG 3.29Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 2.99Å; A25-L28 PolarHBondContact O-N 3.13Å; S26-L28 VanDerWaalsContact C-N 3.34Å; L28-Q228 HydrophobicContact CD2-CG 4.36Å
29L88Confident89.6Confident115 Ų11573.7 Ų73.760%0.60238%0.378SS*.Hα-helixtrans-101.3-29.4-170.7-57.9176.2000113.7A25A25-L29 VanDerWaalsContact O-CB 3.24Å; A25-L29 WeakPolarHBondContact O-CB 3.48Å; A25-L29 WeakPolarHBondContact O-CG 3.36Å; A25-L29 PolarHBondContact O-N 3.41Å
30W90.4Very high90Very high152 Ų15276.8 Ų76.858%0.57638%0.38SS*.  trans-136.458.1-176.5-56.7-60.9000112.3S26 S32 A33S26-W30 CarbonylContact O-C 3.52Å; S26-W30 WeakPolarHBondContact O-CA 3.43Å; S26-W30 PolarHBondContact O-N 3.01Å; W30-S32 PolarHBondContact O-N 2.95Å; W30-S32 VanDerWaalsContact O-N 3.15Å; W30-A33 HydrophobicContact CB-CB 4.01Å; W30-A33 VanDerWaalsContact O-CB 3.31Å; W30-A33 WeakPolarHBondContact O-CB 3.39Å; W30-A33 PolarHBondContact O-N 3.19Å
31P90.8Very high90.5Very high13 Ų1378.1 Ų78.18%0.08438%0.38CS..Hα-helixtrans-60.5-30.5-175.925.9-35.2000112.6A33 L34 I35 Q228 Q231P31-A33 VanDerWaalsContact C-N 3.3Å; P31-A33 PolarHBondContact O-N 2.83Å; P31-L34 PolarHBondContact O-N 2.82Å; P31-I35 PolarHBondContact O-N 3.32Å; P31-Q228 WeakPolarHBondContact CB-O 3.5Å; P31-Q231 HydrophobicContact CG-CB 4.29Å; P31-Q231 HydrophobicContact CG-CG 4.08Å
32S92.2Very high91Very high31 Ų3176.2 Ų76.222%0.21736%0.364CS..Hα-helixtrans-62.7-32.5174670000113.7W30 L34 I35 R36W30-S32 PolarHBondContact O-N 2.95Å; W30-S32 VanDerWaalsContact O-N 3.15Å; S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 2.87Å; S32-I35 PolarHBondContact O-N 3.05Å; S32-R36 WeakPolarHBondContact O-CG 2.98Å; S32-R36 PolarHBondContact O-N 2.79Å
33A92.6Very high91.6Very high35 Ų3576.1 Ų76.129%0.28935%0.353SS..Hα-helixtrans-64.8-39.7176.300000110.8W30 P31 I35 R36 I37W30-A33 HydrophobicContact CB-CB 4.01Å; W30-A33 VanDerWaalsContact O-CB 3.31Å; W30-A33 WeakPolarHBondContact O-CB 3.39Å; W30-A33 PolarHBondContact O-N 3.19Å; P31-A33 VanDerWaalsContact C-N 3.3Å; P31-A33 PolarHBondContact O-N 2.83Å; A33-I35 PolarHBondContact O-N 3.43Å; A33-R36 PolarHBondContact O-N 2.89Å; A33-I37 WeakPolarHBondContact O-CB 3.41Å; A33-I37 VanDerWaalsContact O-CG1 3.23Å; A33-I37 WeakPolarHBondContact O-CG1 3.44Å; A33-I37 PolarHBondContact O-N 2.81Å
34L91.3Very high92.1Very high30 Ų3079.4 Ų79.416%0.15736%0.362CS..Hα-helixtrans-64.3-39.1175.9-64.5-177.1000112.3F23 F27 P31 S32 I37 Y38F23-L34 HydrophobicContact CD2-CD2 4.4Å; F23-L34 HydrophobicContact CE2-CD1 4.32Å; F23-L34 HydrophobicContact CE2-CD2 4.25Å; F27-L34 VanDerWaalsContact CA-CD1 3.48Å; F27-L34 HydrophobicContact CB-CD1 3.73Å; F27-L34 HydrophobicContact CD2-CD1 3.67Å; F27-L34 HydrophobicContact CG-CD1 4.19Å; P31-L34 PolarHBondContact O-N 2.82Å; S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 2.87Å; L34-I37 PolarHBondContact O-N 3.07Å; L34-Y38 VanDerWaalsContact O-CB 3.31Å; L34-Y38 WeakPolarHBondContact O-CB 3.33Å; L34-Y38 PolarHBondContact O-N 3.28Å
35I94.7Very high92.6Very high15 Ų1578.8 Ų78.88%0.07736%0.364CS..Hα-helixtrans-62.3-45174.3-59.4-54.8000110.7P31 S32 A33 Y38 Y39 I229 L233 V236P31-I35 PolarHBondContact O-N 3.32Å; S32-I35 PolarHBondContact O-N 3.05Å; A33-I35 PolarHBondContact O-N 3.43Å; I35-Y38 WeakPolarHBondContact O-CB 3.41Å; I35-Y38 PolarHBondContact O-N 3Å; I35-Y39 HydrophobicContact CG2-CD2 3.84Å; I35-Y39 HydrophobicContact CG2-CE2 3.47Å; I35-Y39 VanDerWaalsContact CG2-CE2 3.47Å; I35-Y39 WeakPolarHBondContact O-CD2 3.2Å; I35-Y39 PolarHBondContact O-N 3.24Å; I35-Y39 VanDerWaalsContact O-N 3.09Å; I35-I229 HydrophobicContact CD1-CG2 4.43Å; I35-L233 HydrophobicContact CD1-CD2 4.08Å; I35-L233 HydrophobicContact CD1-CG 4.21Å; I35-L233 HydrophobicContact CG1-CD2 4.44Å; I35-L233 HydrophobicContact CG2-CD2 4.26Å; I35-V236 HydrophobicContact CB-CG1 4.24Å; I35-V236 HydrophobicContact CG2-CG1 4.21Å; I35-V236 HydrophobicContact CG2-CG2 4.23Å
36R94.3Very high93Very high137 Ų13778.3 Ų78.352%0.51736%0.356SS..Hα-helixtrans-64-42.3177.3-68.2178.1-170.8-82.7-2.4112.1S32 A33 Y39 W40 V236S32-R36 WeakPolarHBondContact O-CG 2.98Å; S32-R36 PolarHBondContact O-N 2.79Å; A33-R36 PolarHBondContact O-N 2.89Å; R36-Y39 PolarHBondContact O-N 2.96Å; R36-W40 WeakPolarHBondContact O-CB 3.3Å; R36-W40 PolarHBondContact O-N 3.25Å; R36-V236 HydrophobicContact CG-CG1 4.31Å
37I94.4Very high93.7Very high99 Ų9978.5 Ų78.551%0.50836%0.364SS..Hα-helixtrans-63.5-42.7175.8-70.3164.6000110.6A33 L34 Y39 W40 Y41A33-I37 WeakPolarHBondContact O-CB 3.41Å; A33-I37 VanDerWaalsContact O-CG1 3.23Å; A33-I37 WeakPolarHBondContact O-CG1 3.44Å; A33-I37 PolarHBondContact O-N 2.81Å; L34-I37 PolarHBondContact O-N 3.07Å; I37-Y39 PolarHBondContact O-N 2.93Å; I37-W40 PolarHBondContact O-N 3.32Å; I37-Y41 WeakPolarHBondContact O-CB 3.09Å; I37-Y41 PolarHBondContact O-N 2.96Å
38Y94.9Very high94.3Very high123 Ų12376.8 Ų76.848%0.48236%0.357SS..Hα-helixtrans-56.6-51176169.4-91.2000111.3L34 I35 Y41 W42L34-Y38 VanDerWaalsContact O-CB 3.31Å; L34-Y38 WeakPolarHBondContact O-CB 3.33Å; L34-Y38 PolarHBondContact O-N 3.28Å; I35-Y38 WeakPolarHBondContact O-CB 3.41Å; I35-Y38 PolarHBondContact O-N 3Å; Y38-Y41 PolarHBondContact O-N 3.38Å; Y38-W42 AromaticContact CD2-CD1 3.62Å; Y38-W42 AromaticContact CD2-NE1 3.7Å; Y38-W42 AromaticContact CE1-CD1 3.85Å; Y38-W42 AromaticContact CE2-CD1 3.27Å; Y38-W42 AromaticContact CE2-NE1 3.09Å; Y38-W42 AromaticContact CZ-CD1 3.38Å; Y38-W42 AromaticContact CZ-NE1 3.5Å; Y38-W42 PolarHBondContact O-N 3.29Å
39Y96.2Very high94.9Very high47 Ų4777.1 Ų77.118%0.18436%0.356CS..Hα-helixtrans-66.1-39.9178.1-70.2-59.2000112.2I35 R36 I37 Y41 W42 R43 H83 D85 L88I35-Y39 HydrophobicContact CG2-CD2 3.84Å; I35-Y39 HydrophobicContact CG2-CE2 3.47Å; I35-Y39 VanDerWaalsContact CG2-CE2 3.47Å; I35-Y39 WeakPolarHBondContact O-CD2 3.2Å; I35-Y39 PolarHBondContact O-N 3.24Å; I35-Y39 VanDerWaalsContact O-N 3.09Å; R36-Y39 PolarHBondContact O-N 2.96Å; I37-Y39 PolarHBondContact O-N 2.93Å; Y39-Y41 PolarHBondContact O-N 3.03Å; Y39-W42 PolarHBondContact O-N 3.02Å; Y39-R43 WeakPolarHBondContact O-CB 3.43Å; Y39-R43 VanDerWaalsContact O-CG 3.31Å; Y39-R43 WeakPolarHBondContact O-CG 3.31Å; Y39-R43 PolarHBondContact O-N 2.71Å; Y39-H83 AromaticContact CE1-CE1 3.83Å; Y39-H83 AromaticContact CE2-CE1 3.59Å; Y39-H83 AromaticContact CE2-NE2 3.8Å; Y39-H83 AromaticContact CZ-CE1 3.48Å; Y39-H83 VanDerWaalsContact CZ-CE1 3.48Å; Y39-H83 AromaticContact CZ-NE2 3.62Å; Y39-H83 PolarHBondContact OH-NE2 2.94Å; Y39-D85 HydrophobicContact CD1-CB 3.55Å; Y39-D85 HydrophobicContact CE1-CB 3.93Å; Y39-D85 HydrophobicContact CG-CB 4.15Å; Y39-L88 HydrophobicContact CD1-CD1 4.14Å
40W96.4Very high95.4Very high142 Ų14274.3 Ų74.354%0.53834%0.343SS..Hα-helixtrans-58.1-47.4174.4172.290.2000112.3R36 I37 R43 R44R36-W40 WeakPolarHBondContact O-CB 3.3Å; R36-W40 PolarHBondContact O-N 3.25Å; I37-W40 PolarHBondContact O-N 3.32Å; W40-R43 VanDerWaalsContact CA-NH2 3.28Å; W40-R43 PolarHBondContact O-N 3.09Å; W40-R44 PolarHBondContact O-N 2.83Å; W40-R44 VanDerWaalsContact O-N 3.12Å
41Y97.4Very high95.7Very high131 Ų13173.2 Ų73.251%0.51434%0.339SS..Hα-helixtrans-59.9-51178.3169.8-97.3000110.9I37 Y38 Y39 R43 R44 A45I37-Y41 WeakPolarHBondContact O-CB 3.09Å; I37-Y41 PolarHBondContact O-N 2.96Å; Y38-Y41 PolarHBondContact O-N 3.38Å; Y39-Y41 PolarHBondContact O-N 3.03Å; Y41-R43 PolarHBondContact O-N 3.22Å; Y41-R44 PolarHBondContact O-N 2.88Å; Y41-A45 HydrophobicContact CE1-CB 4.37Å; Y41-A45 WeakPolarHBondContact O-CB 3.41Å; Y41-A45 PolarHBondContact O-N 3.18Å
42W97.6Very high96.1Very high77 Ų7778.7 Ų78.729%0.29236%0.359SS..Hα-helixtrans-68-34.6-177.7-82.4107.4000113.2Y38 Y39 A45 L46 L88Y38-W42 AromaticContact CD2-CD1 3.62Å; Y38-W42 AromaticContact CD2-NE1 3.7Å; Y38-W42 AromaticContact CE1-CD1 3.85Å; Y38-W42 AromaticContact CE2-CD1 3.27Å; Y38-W42 AromaticContact CE2-NE1 3.09Å; Y38-W42 AromaticContact CZ-CD1 3.38Å; Y38-W42 AromaticContact CZ-NE1 3.5Å; Y38-W42 PolarHBondContact O-N 3.29Å; Y39-W42 PolarHBondContact O-N 3.02Å; W42-A45 HydrophobicContact CE3-CB 4.47Å; W42-L46 HydrophobicContact CE3-CD1 4.08Å; W42-L46 HydrophobicContact CE3-CD2 4.37Å; W42-L46 HydrophobicContact CE3-CG 4.06Å; W42-L46 HydrophobicContact CZ3-CD2 4.45Å; W42-L46 VanDerWaalsContact O-CB 3.26Å; W42-L46 WeakPolarHBondContact O-CB 3.37Å; W42-L46 WeakPolarHBondContact O-CG 3.15Å; W42-L46 PolarHBondContact O-N 3.47Å; W42-L88 HydrophobicContact CB-CD1 3.87Å
43R97.5Very high96.3Very high47 Ų4777.9 Ų77.918%0.17735%0.354CS..Hα-helixtrans-57-51.8170.3-76-171.8-60.1-93.21.1110.5Y39 W40 Y41 L46 G47 M48 D85 L88Y39-R43 WeakPolarHBondContact O-CB 3.43Å; Y39-R43 VanDerWaalsContact O-CG 3.31Å; Y39-R43 WeakPolarHBondContact O-CG 3.31Å; Y39-R43 PolarHBondContact O-N 2.71Å; W40-R43 VanDerWaalsContact CA-NH2 3.28Å; W40-R43 PolarHBondContact O-N 3.09Å; Y41-R43 PolarHBondContact O-N 3.22Å; R43-L46 PolarHBondContact O-N 3.49Å; R43-G47 PolarHBondContact O-N 3.41Å; R43-G47 VanDerWaalsContact O-N 3.13Å; R43-M48 HydrophobicContact CB-CB 4.1Å; R43-M48 HydrophobicContact CG-CB 4.27Å; R43-M48 PolarHBondContact O-N 3.13Å; R43-D85 VanDerWaalsContact CD-OD1 3.27Å; R43-D85 WeakPolarHBondContact CD-OD1 3.36Å; R43-D85 WeakPolarHBondContact CG-OD1 3.44Å; R43-D85 IonicContact CZ-OD2 3.94Å; R43-D85 IonicContact NH1-OD1 3.9Å; R43-D85 IonicContact NH1-OD2 3.55Å; R43-D85 PolarHBondContact NH1-OD2 3.35Å; R43-L88 HydrophobicContact CG-CD1 3.91Å; R43-L88 HydrophobicContact CG-CD2 4.16Å
44R96.5Very high96.4Very high188 Ų18881 Ų8171%0.70937%0.366SS*.Hα-helixtrans-61.4-48.7180-173.8179.9176.6108.2-1.3112W40 Y41 L46 G47W40-R44 PolarHBondContact O-N 2.83Å; W40-R44 VanDerWaalsContact O-N 3.12Å; Y41-R44 PolarHBondContact O-N 2.88Å; R44-L46 PolarHBondContact O-N 3.19Å; R44-G47 PolarHBondContact O-N 3.5Å; R44-G47 VanDerWaalsContact O-N 3.1Å
45A97.5Very high96.4Very high53 Ų5383.3 Ų83.344%0.43837%0.373SS..Hα-helixtrans-61-31.5-179.300000112.7Y41 W42Y41-A45 HydrophobicContact CE1-CB 4.37Å; Y41-A45 WeakPolarHBondContact O-CB 3.41Å; Y41-A45 PolarHBondContact O-N 3.18Å; W42-A45 HydrophobicContact CE3-CB 4.47Å
46L97.4Very high96.2Very high27 Ų2789 Ų8914%0.14140%0.403CS..THydrogen-bonded Turntrans-92.90.5179.5-62.1177.6000113.9W42 R43 R44 M48 R65 L88 V91 K92W42-L46 HydrophobicContact CE3-CD1 4.08Å; W42-L46 HydrophobicContact CE3-CD2 4.37Å; W42-L46 HydrophobicContact CE3-CG 4.06Å; W42-L46 HydrophobicContact CZ3-CD2 4.45Å; W42-L46 VanDerWaalsContact O-CB 3.26Å; W42-L46 WeakPolarHBondContact O-CB 3.37Å; W42-L46 WeakPolarHBondContact O-CG 3.15Å; W42-L46 PolarHBondContact O-N 3.47Å; R43-L46 PolarHBondContact O-N 3.49Å; R44-L46 PolarHBondContact O-N 3.19Å; L46-M48 VanDerWaalsContact C-N 3.27Å; L46-M48 HydrophobicContact CB-CG 4.2Å; L46-M48 PolarHBondContact O-N 2.84Å; L46-R65 WeakPolarHBondContact O-CD 3.5Å; L46-L88 HydrophobicContact CD1-CB 4.14Å; L46-L88 HydrophobicContact CD1-CD2 4.12Å; L46-V91 HydrophobicContact CB-CG1 4.25Å; L46-V91 HydrophobicContact CD1-CB 4.41Å; L46-V91 HydrophobicContact CD1-CG1 4.2Å; L46-K92 HydrophobicContact CD1-CB 4.01Å; L46-K92 HydrophobicContact CD2-CB 3.6Å; L46-K92 HydrophobicContact CG-CB 4.46Å
47G96.9Very high95.9Very high40 Ų4090.3 Ų90.341%0.41242%0.421SS..THydrogen-bonded Turntrans70.721.5-177.700000113.9R43 R44R43-G47 PolarHBondContact O-N 3.41Å; R43-G47 VanDerWaalsContact O-N 3.13Å; R44-G47 PolarHBondContact O-N 3.5Å; R44-G47 VanDerWaalsContact O-N 3.1Å
48M98Very high95.9Very high9 Ų986.1 Ų86.14%0.04440%0.399CS..  trans-81.8133.4174.3-61.2-70-64.500109.9R43 L46 S63 Y64 R65 L88 V91 C102R43-M48 HydrophobicContact CB-CB 4.1Å; R43-M48 HydrophobicContact CG-CB 4.27Å; R43-M48 PolarHBondContact O-N 3.13Å; L46-M48 VanDerWaalsContact C-N 3.27Å; L46-M48 HydrophobicContact CB-CG 4.2Å; L46-M48 PolarHBondContact O-N 2.84Å; M48-S63 VanDerWaalsContact CE-OG 3.26Å; M48-S63 WeakPolarHBondContact CE-OG 3.36Å; M48-Y64 CarbonylContact C-O 3.5Å; M48-Y64 WeakPolarHBondContact CA-O 3.43Å; M48-R65 HydrophobicContact SD-CB 3.41Å; M48-R65 WeakPolarHBondContact SD-CB 3.49Å; M48-R65 HydrophobicContact SD-CG 4.49Å; M48-L88 HydrophobicContact CB-CD2 4.39Å; M48-L88 HydrophobicContact CG-CD2 3.73Å; M48-V91 HydrophobicContact CG-CG1 4.25Å; M48-V91 HydrophobicContact SD-CG1 3.86Å; M48-V91 HydrophobicContact SD-CG2 4.48Å; M48-C102 HydrophobicContact CE-CB 4.5Å
49Q97.3Very high96Very high109 Ų10983.7 Ų83.751%0.50939%0.392SS..EExtended strand (participates in β ladder)trans-117.2140175.6-62.2-178.822.900109.5S63 Y64Q49-S63 CarbonylContact O-C 3.54Å; Q49-S63 WeakPolarHBondContact O-CA 3.49Å; Q49-Y64 HydrophobicContact CB-CD1 4.16Å; Q49-Y64 HydrophobicContact CB-CE1 3.59Å; Q49-Y64 PolarHBondContact N-O 3.01Å; Q49-Y64 VanDerWaalsContact O-CD1 3.32Å; Q49-Y64 WeakPolarHBondContact O-CD1 3.29Å; Q49-Y64 PolarHBondContact O-N 3.2Å; Q49-Y64 PolarHBondContact OE1-OH 2.83Å
50V98.1Very high96.1Very high55 Ų5581.5 Ų81.533%0.33338%0.383SS..EExtended strand (participates in β ladder)trans-88.6135.6174.5-179.40000108.9Y52 Y62V50-Y52 HydrophobicContact CG1-CE2 4.35Å; V50-Y62 CarbonylContact C-O 3.59Å; V50-Y62 WeakPolarHBondContact CA-O 3.36Å
51R97.8Very high96.2Very high129 Ų12974.8 Ų74.849%0.48736%0.358SS..EExtended strand (participates in β ladder)trans-137.7164.1174.6-87-172.6-171.5-131.8-1.1110.6Y62 Y64R51-Y62 HydrophobicContact CB-CD1 4.33Å; R51-Y62 HydrophobicContact CB-CE1 3.66Å; R51-Y62 HydrophobicContact CB-CE2 3.97Å; R51-Y62 VanDerWaalsContact CB-CZ 3.46Å; R51-Y62 PolarHBondContact N-O 3.39Å; R51-Y62 WeakPolarHBondContact O-CD1 3.34Å; R51-Y62 PolarHBondContact O-N 3.38Å; R51-Y62 VanDerWaalsContact O-O 3.09Å; R51-Y64 HydrophobicContact CB-CD1 4.42Å; R51-Y64 HydrophobicContact CB-CE1 4.29Å; R51-Y64 HydrophobicContact CG-CD1 4.25Å; R51-Y64 HydrophobicContact CG-CE1 3.64Å; R51-Y64 VanDerWaalsContact NE-CE1 3.3Å; R51-Y64 PolarHBondContact NE-OH 2.83Å; R51-Y64 PolarHBondContact NH2-OH 2.86Å
52Y98.1Very high96.2Very high129 Ų12969.7 Ų69.751%0.50634%0.338SS..EExtended strand (participates in β ladder)trans-120.3143.1174.3-60.7-89.8000109V50 Q59 F60 C61V50-Y52 HydrophobicContact CG1-CE2 4.35Å; Y52-Q59 VanDerWaalsContact CD1-CD 3.49Å; Y52-Q59 HydrophobicContact CD1-CG 3.79Å; Y52-Q59 HydrophobicContact CG-CG 4.35Å; Y52-F60 CarbonylContact C-O 3.5Å; Y52-F60 VanDerWaalsContact CA-O 3.22Å; Y52-F60 WeakPolarHBondContact CA-O 3.38Å; Y52-C61 HydrophobicContact CD1-CB 3.91Å; Y52-C61 HydrophobicContact CE1-CB 3.69Å
53A97.2Very high96.3Very high14 Ų1466 Ų6612%0.11632%0.324CS..EExtended strand (participates in β ladder)trans-128.8131.9172.300000108.4F60 Y62 F131 C134 I135A53-F60 PolarHBondContact N-O 3.33Å; A53-F60 PolarHBondContact O-N 2.9Å; A53-Y62 HydrophobicContact CB-CE1 3.96Å; A53-F131 HydrophobicContact CB-CD2 4.5Å; A53-F131 HydrophobicContact CB-CE2 4.39Å; A53-C134 HydrophobicContact CB-CB 4.27Å; A53-I135 HydrophobicContact CB-CG2 3.77Å
54N95.6Very high96.3Very high101 Ų10165.4 Ų65.454%0.5432%0.322SS..EExtended strand (participates in β ladder)trans-105.2133.4-178.9-57.1-36.3000109.5Y58 Q59 C134N54-Y58 CarbonylContact C-O 3.54Å; N54-Y58 WeakPolarHBondContact CA-O 3.36Å; N54-Q59 WeakPolarHBondContact OD1-CB 3.38Å; N54-Q59 WeakPolarHBondContact OD1-CG 3.22Å; N54-Q59 PolarHBondContact OD1-NE2 2.97Å; N54-C134 PolarHBondContact O-SG 3.2Å
55Y90.7Very high96.3Very high77 Ų7757.1 Ų57.130%0.30229%0.291SS..EExtended strand (participates in β ladder)trans-117101.2165.7-169.8-73.8000106D57 Y58 Q130 C134Y55-D57 PolarHBondContact O-N 3.4Å; Y55-Y58 PolarHBondContact N-O 2.96Å; Y55-Y58 WeakPolarHBondContact O-CA 3.46Å; Y55-Y58 WeakPolarHBondContact O-CB 3.37Å; Y55-Y58 PolarHBondContact O-N 2.95Å; Y55-Q130 HydrophobicContact CD2-CB 3.82Å; Y55-Q130 HydrophobicContact CD2-CG 4.21Å; Y55-Q130 HydrophobicContact CE2-CB 4.06Å; Y55-Q130 HydrophobicContact CE2-CG 3.98Å; Y55-Q130 HydrophobicContact CG-CB 4.26Å; Y55-C134 VanDerWaalsContact CB-SG 3.54Å; Y55-C134 WeakPolarHBondContact CD2-SG 3.38Å
56D89.6Confident96.2Very high134 Ų13456.1 Ų56.172%0.71729%0.285SS*.THydrogen-bonded Turntrans50.9-124.2-166.6-53.2-43000111.1Y58D56-Y58 VanDerWaalsContact C-N 3.28Å; D56-Y58 PolarHBondContact O-N 2.79Å
57D89.4Confident95.9Very high165 Ų16565.2 Ų65.288%0.88232%0.318SS*.THydrogen-bonded Turntrans-82.1-1.6177.8-61.6-39.7000113.7Y55Y55-D57 PolarHBondContact O-N 3.4Å
58Y93.6Very high95.7Very high12 Ų1267.9 Ų67.95%0.04733%0.328CS..EExtended strand (participates in β ladder)trans-95.4121.7-178.2-163.4-85.4000111.3N54 Y55 D56 F60 P106 T111 T112 D117N54-Y58 CarbonylContact C-O 3.54Å; N54-Y58 WeakPolarHBondContact CA-O 3.36Å; Y55-Y58 PolarHBondContact N-O 2.96Å; Y55-Y58 WeakPolarHBondContact O-CA 3.46Å; Y55-Y58 WeakPolarHBondContact O-CB 3.37Å; Y55-Y58 PolarHBondContact O-N 2.95Å; D56-Y58 VanDerWaalsContact C-N 3.28Å; D56-Y58 PolarHBondContact O-N 2.79Å; Y58-F60 HydrophobicContact CD1-CD1 4.2Å; Y58-F60 AromaticContact CD1-CD2 3.95Å; Y58-F60 HydrophobicContact CD1-CD2 3.95Å; Y58-F60 AromaticContact CD1-CE1 3.82Å; Y58-F60 HydrophobicContact CD1-CE1 3.82Å; Y58-F60 AromaticContact CD1-CE2 3.55Å; Y58-F60 HydrophobicContact CD1-CE2 3.55Å; Y58-F60 HydrophobicContact CD1-CG 4.26Å; Y58-F60 AromaticContact CD1-CZ 3.47Å; Y58-F60 HydrophobicContact CD1-CZ 3.47Å; Y58-F60 VanDerWaalsContact CD1-CZ 3.47Å; Y58-F60 AromaticContact CE1-CD1 3.69Å; Y58-F60 HydrophobicContact CE1-CD1 3.69Å; Y58-F60 HydrophobicContact CE1-CD2 4.29Å; Y58-F60 AromaticContact CE1-CE1 3.34Å; Y58-F60 HydrophobicContact CE1-CE1 3.34Å; Y58-F60 AromaticContact CE1-CE2 3.99Å; Y58-F60 HydrophobicContact CE1-CE2 3.99Å; Y58-F60 HydrophobicContact CE1-CG 4.16Å; Y58-F60 AromaticContact CE1-CZ 3.5Å; Y58-F60 HydrophobicContact CE1-CZ 3.5Å; Y58-F60 VanDerWaalsContact CE1-CZ 3.5Å; Y58-P106 WeakPolarHBondContact OH-CA 3.36Å; Y58-P106 WeakPolarHBondContact OH-CB 3.44Å; Y58-T111 HydrophobicContact CE1-CG2 3.66Å; Y58-T111 VanDerWaalsContact OH-CG2 3.29Å; Y58-T111 WeakPolarHBondContact OH-CG2 3.45Å; Y58-T112 HydrophobicContact CD2-CG2 3.93Å; Y58-T112 HydrophobicContact CE2-CG2 4.09Å; Y58-T112 WeakPolarHBondContact CE2-O 3.49Å; Y58-T112 PolarHBondContact OH-O 2.91Å; Y58-D117 WeakPolarHBondContact CE2-OD2 3.25Å
59Q96.6Very high95.1Very high72 Ų7269.3 Ų69.334%0.33635%0.345SS..EExtended strand (participates in β ladder)trans-106.7126.6179.6179.6171.1101.400111.3Y52 N54 T111 T112Y52-Q59 VanDerWaalsContact CD1-CD 3.49Å; Y52-Q59 HydrophobicContact CD1-CG 3.79Å; Y52-Q59 HydrophobicContact CG-CG 4.35Å; N54-Q59 WeakPolarHBondContact OD1-CB 3.38Å; N54-Q59 WeakPolarHBondContact OD1-CG 3.22Å; N54-Q59 PolarHBondContact OD1-NE2 2.97Å; Q59-T111 CarbonylContact O-C 3.53Å; Q59-T111 WeakPolarHBondContact O-CA 3.13Å; Q59-T112 WeakPolarHBondContact CB-OG1 3.33Å; Q59-T112 PolarHBondContact N-OG1 2.83Å; Q59-T112 PolarHBondContact O-N 2.86Å; Q59-T112 PolarHBondContact O-OG1 2.83Å
60F98.2Very high94.6Very high0 Ų075 Ų750%036%0.364CS..EExtended strand (participates in β ladder)trans-96.3130.6169.9-60.9-86.2000110.3Y52 A53 Y58 P106 T111 R127 Q130 F131Y52-F60 CarbonylContact C-O 3.5Å; Y52-F60 VanDerWaalsContact CA-O 3.22Å; Y52-F60 WeakPolarHBondContact CA-O 3.38Å; A53-F60 PolarHBondContact N-O 3.33Å; A53-F60 PolarHBondContact O-N 2.9Å; Y58-F60 HydrophobicContact CD1-CD1 4.2Å; Y58-F60 AromaticContact CD1-CD2 3.95Å; Y58-F60 HydrophobicContact CD1-CD2 3.95Å; Y58-F60 AromaticContact CD1-CE1 3.82Å; Y58-F60 HydrophobicContact CD1-CE1 3.82Å; Y58-F60 AromaticContact CD1-CE2 3.55Å; Y58-F60 HydrophobicContact CD1-CE2 3.55Å; Y58-F60 HydrophobicContact CD1-CG 4.26Å; Y58-F60 AromaticContact CD1-CZ 3.47Å; Y58-F60 HydrophobicContact CD1-CZ 3.47Å; Y58-F60 VanDerWaalsContact CD1-CZ 3.47Å; Y58-F60 AromaticContact CE1-CD1 3.69Å; Y58-F60 HydrophobicContact CE1-CD1 3.69Å; Y58-F60 HydrophobicContact CE1-CD2 4.29Å; Y58-F60 AromaticContact CE1-CE1 3.34Å; Y58-F60 HydrophobicContact CE1-CE1 3.34Å; Y58-F60 AromaticContact CE1-CE2 3.99Å; Y58-F60 HydrophobicContact CE1-CE2 3.99Å; Y58-F60 HydrophobicContact CE1-CG 4.16Å; Y58-F60 AromaticContact CE1-CZ 3.5Å; Y58-F60 HydrophobicContact CE1-CZ 3.5Å; Y58-F60 VanDerWaalsContact CE1-CZ 3.5Å; F60-P106 HydrophobicContact CE1-CG 4.47Å; F60-T111 HydrophobicContact CD1-CG2 4.06Å; F60-R127 HydrophobicContact CE1-CB 4.47Å; F60-R127 WeakPolarHBondContact CE1-O 3.42Å; F60-R127 VanDerWaalsContact CZ-O 3.22Å; F60-R127 WeakPolarHBondContact CZ-O 3.37Å; F60-Q130 HydrophobicContact CZ-CB 4.29Å; F60-F131 HydrophobicContact CB-CD2 3.49Å; F60-F131 VanDerWaalsContact CB-CD2 3.49Å; F60-F131 HydrophobicContact CB-CE2 3.97Å; F60-F131 HydrophobicContact CB-CG 4.36Å; F60-F131 HydrophobicContact CD1-CB 3.74Å; F60-F131 HydrophobicContact CD1-CD2 4.08Å; F60-F131 HydrophobicContact CD1-CG 4.15Å; F60-F131 HydrophobicContact CD2-CB 4.06Å; F60-F131 HydrophobicContact CD2-CD2 4Å; F60-F131 HydrophobicContact CE1-CB 3.71Å; F60-F131 HydrophobicContact CE2-CB 4.04Å; F60-F131 HydrophobicContact CG-CB 3.91Å; F60-F131 AromaticContact CG-CD2 3.6Å; F60-F131 HydrophobicContact CG-CD2 3.6Å; F60-F131 HydrophobicContact CG-CG 4.1Å; F60-F131 HydrophobicContact CZ-CB 3.87Å
61C98.5Very high94.2Very high2 Ų278.9 Ų78.91%0.01437%0.372CS..EExtended strand (participates in β ladder)trans-99.1130.7168.5-177.50000110Y52 K84 D104 G110 T111Y52-C61 HydrophobicContact CD1-CB 3.91Å; Y52-C61 HydrophobicContact CE1-CB 3.69Å; C61-K84 PolarHBondContact SG-NZ 2.87Å; C61-D104 HydrophobicContact CB-CB 4.49Å; C61-D104 PolarHBondContact O-N 2.84Å; C61-G110 VanDerWaalsContact CB-O 3.22Å; C61-G110 WeakPolarHBondContact CB-O 3.29Å; C61-T111 PolarHBondContact N-OG1 2.78Å
62Y98.7Very high94.1Very high24 Ų2474.2 Ų74.29%0.09436%0.359CS..EExtended strand (participates in β ladder)trans-146.4161.8178.868.6-78.5000111V50 R51 A53 Y64 V101 C102 F131 I135V50-Y62 CarbonylContact C-O 3.59Å; V50-Y62 WeakPolarHBondContact CA-O 3.36Å; R51-Y62 HydrophobicContact CB-CD1 4.33Å; R51-Y62 HydrophobicContact CB-CE1 3.66Å; R51-Y62 HydrophobicContact CB-CE2 3.97Å; R51-Y62 VanDerWaalsContact CB-CZ 3.46Å; R51-Y62 PolarHBondContact N-O 3.39Å; R51-Y62 WeakPolarHBondContact O-CD1 3.34Å; R51-Y62 PolarHBondContact O-N 3.38Å; R51-Y62 VanDerWaalsContact O-O 3.09Å; A53-Y62 HydrophobicContact CB-CE1 3.96Å; Y62-Y64 HydrophobicContact CE2-CD1 4.01Å; Y62-Y64 HydrophobicContact CE2-CG 4.32Å; Y62-V101 HydrophobicContact CD2-CG1 3.93Å; Y62-C102 CarbonylContact C-O 3.57Å; Y62-C102 VanDerWaalsContact CA-O 3.25Å; Y62-C102 WeakPolarHBondContact CA-O 3.3Å; Y62-C102 WeakPolarHBondContact CB-O 3.32Å; Y62-F131 AromaticContact CD1-CE2 3.5Å; Y62-F131 HydrophobicContact CD1-CE2 3.5Å; Y62-F131 AromaticContact CD1-CZ 3.83Å; Y62-F131 HydrophobicContact CD1-CZ 3.83Å; Y62-F131 HydrophobicContact CD2-CZ 4.09Å; Y62-F131 AromaticContact CE1-CE2 3.96Å; Y62-F131 HydrophobicContact CE1-CE2 3.96Å; Y62-F131 HydrophobicContact CE1-CZ 4.41Å; Y62-F131 AromaticContact CG-CE2 3.83Å; Y62-F131 HydrophobicContact CG-CE2 3.83Å; Y62-F131 AromaticContact CG-CZ 3.63Å; Y62-F131 HydrophobicContact CG-CZ 3.63Å; Y62-I135 HydrophobicContact CE1-CG2 4.05Å
63S98.4Very high94.1Very high0 Ų068.6 Ų68.60%034%0.338CS..EExtended strand (participates in β ladder)trans-117.1146.3169.664.60000109.4M48 Q49 C102M48-S63 VanDerWaalsContact CE-OG 3.26Å; M48-S63 WeakPolarHBondContact CE-OG 3.36Å; Q49-S63 CarbonylContact O-C 3.54Å; Q49-S63 WeakPolarHBondContact O-CA 3.49Å; S63-C102 PolarHBondContact N-O 2.8Å; S63-C102 PolarHBondContact O-N 2.79Å
64Y98.3Very high94.2Very high33 Ų3368 Ų6813%0.12933%0.333CS..EExtended strand (participates in β ladder)trans-142.9156.9-179.177.7-74.3000111.8M48 Q49 R51 Y62 L100M48-Y64 CarbonylContact C-O 3.5Å; M48-Y64 WeakPolarHBondContact CA-O 3.43Å; Q49-Y64 HydrophobicContact CB-CD1 4.16Å; Q49-Y64 HydrophobicContact CB-CE1 3.59Å; Q49-Y64 PolarHBondContact N-O 3.01Å; Q49-Y64 VanDerWaalsContact O-CD1 3.32Å; Q49-Y64 WeakPolarHBondContact O-CD1 3.29Å; Q49-Y64 PolarHBondContact O-N 3.2Å; Q49-Y64 PolarHBondContact OE1-OH 2.83Å; R51-Y64 HydrophobicContact CB-CD1 4.42Å; R51-Y64 HydrophobicContact CB-CE1 4.29Å; R51-Y64 HydrophobicContact CG-CD1 4.25Å; R51-Y64 HydrophobicContact CG-CE1 3.64Å; R51-Y64 VanDerWaalsContact NE-CE1 3.3Å; R51-Y64 PolarHBondContact NE-OH 2.83Å; R51-Y64 PolarHBondContact NH2-OH 2.86Å; Y62-Y64 HydrophobicContact CE2-CD1 4.01Å; Y62-Y64 HydrophobicContact CE2-CG 4.32Å; Y64-L100 CarbonylContact C-O 3.51Å; Y64-L100 WeakPolarHBondContact CA-O 3.37Å; Y64-L100 VanDerWaalsContact CB-O 3.3Å; Y64-L100 WeakPolarHBondContact CB-O 3.27Å
65R97.1Very high94.4Very high14 Ų1463.2 Ų63.25%0.05331%0.307CS..EExtended strand (participates in β ladder)trans-138.2140.6172.2176.2-178.984.3177.64109.7L46 M48 V91 L94 P95 H99 L100L46-R65 WeakPolarHBondContact O-CD 3.5Å; M48-R65 HydrophobicContact SD-CB 3.41Å; M48-R65 WeakPolarHBondContact SD-CB 3.49Å; M48-R65 HydrophobicContact SD-CG 4.49Å; R65-V91 PolarHBondContact NH1-O 3.47Å; R65-V91 VanDerWaalsContact NH1-O 3.12Å; R65-L94 PolarHBondContact NH2-O 2.97Å; R65-P95 PolarHBondContact NH2-O 3.23Å; R65-H99 CarbonylContact O-C 3.56Å; R65-H99 VanDerWaalsContact O-CA 3.32Å; R65-H99 WeakPolarHBondContact O-CA 3.21Å; R65-H99 PolarHBondContact O-CD2 3.41Å; R65-L100 PolarHBondContact N-O 2.82Å; R65-L100 PolarHBondContact O-N 3.1Å
66G94.1Very high94.7Very high32 Ų3259.5 Ų59.533%0.3329%0.293SS..SBendtrans81.8-164.3-179.400000112.5
67R92.5Very high95.2Very high218 Ų21853.1 Ų53.182%0.82326%0.259SS*.  trans-139.1151.4177.6-64.1-177.5-178.1-178.80.3109.3G69 H99R67-G69 PolarHBondContact O-N 2.92Å; R67-H99 VanDerWaalsContact C-CG 3.47Å; R67-H99 WeakPolarHBondContact O-CB 3.48Å
68P91.1Very high95.6Very high96 Ų9645.3 Ų45.362%0.62322%0.217SC*.  trans-51.6135.7171.4-23.532.2000110.9
69G86.4Confident95.8Very high40 Ų4045 Ų4541%0.41222%0.217SC..  trans-144.6-154.6-177.500000112.1R67 R140R67-G69 PolarHBondContact O-N 2.92Å; G69-R140 PolarHBondContact O-NH1 3.46Å
70Y85.9Confident95.9Very high229 Ų22942.4 Ų42.490%0.89821%0.205SC*.SBendtrans-70-33.5174.7-69.1-73.9000112.9
71R90.6Very high95.7Very high136 Ų13642.5 Ų42.551%0.51321%0.206SC..SBendtrans-76.6135.7172.8-64.9-175.6-177.8-173.6-1.7109.1
72P95.9Very high95.6Very high31 Ų3143.2 Ų43.220%0.20121%0.212CC..PPolyproline II helixtrans-57.1148.5176.3-22.532.1000111.8C166P72-C166 VanDerWaalsContact CG-SG 3.54Å
73S98.3Very high95.5Very high10 Ų1043.5 Ų43.57%0.0721%0.214CC..PPolyproline II helixtrans-72.1161.6176.7-55.40000110.6H99 L137 F142 H143S73-H99 WeakPolarHBondContact CB-ND1 3.33Å; S73-H99 PolarHBondContact OG-ND1 2.78Å; S73-L137 VanDerWaalsContact CB-CD1 3.48Å; S73-F142 WeakPolarHBondContact O-CB 3.39Å; S73-H143 PolarHBondContact O-N 2.81Å
74I98.8Very high95.5Very high2 Ų244.3 Ų44.31%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-118.9114.2174.8-49.3-176.6000109.3M76 L98 H99 L100 V101 H143 V145 L325I74-M76 HydrophobicContact CB-CE 4.28Å; I74-M76 HydrophobicContact CG2-CE 3.73Å; I74-M76 HydrophobicContact CG2-CG 4.11Å; I74-L98 HydrophobicContact CD1-CD1 4Å; I74-H99 PolarHBondContact N-O 3.09Å; I74-L100 HydrophobicContact CB-CD2 3.87Å; I74-L100 HydrophobicContact CD1-CD2 3.81Å; I74-L100 HydrophobicContact CG1-CD2 4.06Å; I74-V101 PolarHBondContact O-N 3.1Å; I74-H143 CarbonylContact C-O 3.59Å; I74-H143 WeakPolarHBondContact CA-O 3.35Å; I74-H143 HydrophobicContact CG1-CB 4.16Å; I74-H143 HydrophobicContact CG2-CB 4.36Å; I74-V145 HydrophobicContact CG2-CG2 3.62Å; I74-L325 HydrophobicContact CD1-CD1 3.87Å
75L98.9Very high95.5Very high0 Ų043.1 Ų43.10%021%0.213CC..EExtended strand (participates in β ladder)trans-94.3131.6171.5178.757.9000109.9L77 V101 V103 I128 F131 V132 L137 F142 H143 L144 V145L75-L77 HydrophobicContact CD1-CD2 4.24Å; L75-L77 HydrophobicContact CD2-CD2 4.22Å; L75-L77 HydrophobicContact CG-CD2 3.96Å; L75-V101 CarbonylContact C-O 3.58Å; L75-V101 WeakPolarHBondContact CA-O 3.36Å; L75-V101 HydrophobicContact CD1-CB 4.05Å; L75-V101 HydrophobicContact CD1-CG1 3.79Å; L75-V103 HydrophobicContact CD1-CG1 4.45Å; L75-I128 HydrophobicContact CD2-CG2 4.18Å; L75-F131 HydrophobicContact CD1-CE1 3.94Å; L75-V132 HydrophobicContact CD2-CG2 3.63Å; L75-L137 HydrophobicContact CB-CD2 3.91Å; L75-L137 HydrophobicContact CD2-CD2 4.2Å; L75-L137 HydrophobicContact CG-CD2 4.48Å; L75-F142 HydrophobicContact CB-CD2 4.01Å; L75-F142 HydrophobicContact CB-CE2 4Å; L75-F142 HydrophobicContact CD2-CE2 3.95Å; L75-F142 HydrophobicContact CD2-CZ 4.39Å; L75-H143 PolarHBondContact N-O 3.12Å; L75-L144 HydrophobicContact CB-CD1 4.02Å; L75-L144 HydrophobicContact CD2-CD1 3.93Å; L75-L144 HydrophobicContact CG-CD1 3.89Å; L75-V145 PolarHBondContact O-N 2.92Å
76M98.9Very high95.5Very high0 Ų044 Ų440%022%0.218CC..EExtended strand (participates in β ladder)trans-123122.3-176.5-51.7-178.1-170.700112.1I74 W87 I90 L94 L100 V101 V103 V145I74-M76 HydrophobicContact CB-CE 4.28Å; I74-M76 HydrophobicContact CG2-CE 3.73Å; I74-M76 HydrophobicContact CG2-CG 4.11Å; M76-W87 HydrophobicContact CB-CD2 3.82Å; M76-W87 VanDerWaalsContact CB-CE2 3.47Å; M76-W87 HydrophobicContact CB-CG 4.03Å; M76-W87 HydrophobicContact CB-CZ2 3.86Å; M76-W87 HydrophobicContact CG-CD2 4.44Å; M76-W87 HydrophobicContact SD-CB 4.07Å; M76-W87 HydrophobicContact SD-CD2 3.91Å; M76-W87 HydrophobicContact SD-CE3 4.05Å; M76-W87 HydrophobicContact SD-CG 3.95Å; M76-I90 HydrophobicContact CE-CD1 4.45Å; M76-I90 HydrophobicContact SD-CD1 4.01Å; M76-L94 HydrophobicContact CE-CD1 3.82Å; M76-L100 HydrophobicContact CE-CB 4.36Å; M76-L100 HydrophobicContact CE-CD1 4.26Å; M76-L100 HydrophobicContact CE-CD2 3.8Å; M76-L100 HydrophobicContact CE-CG 4.37Å; M76-V101 PolarHBondContact N-O 3.26Å; M76-V103 PolarHBondContact O-N 3.28Å; M76-V145 CarbonylContact C-O 3.54Å; M76-V145 VanDerWaalsContact CA-O 3.3Å; M76-V145 WeakPolarHBondContact CA-O 3.47Å; M76-V145 HydrophobicContact CG-CB 4.2Å
77L98.9Very high95.7Very high0 Ų042.5 Ų42.50%020%0.203CC..EExtended strand (participates in β ladder)trans-108.8111.5-176.3-52.9-168.8000110.8L75 W87 V103 M105 I128 L144 V145 G146 T147 V153 A154L75-L77 HydrophobicContact CD1-CD2 4.24Å; L75-L77 HydrophobicContact CD2-CD2 4.22Å; L75-L77 HydrophobicContact CG-CD2 3.96Å; L77-W87 WeakPolarHBondContact O-CZ2 3.45Å; L77-V103 HydrophobicContact CD2-CG1 3.6Å; L77-M105 HydrophobicContact CB-CE 4.37Å; L77-M105 HydrophobicContact CB-SD 3.65Å; L77-M105 HydrophobicContact CD1-CE 4.33Å; L77-M105 HydrophobicContact CD1-SD 4.28Å; L77-M105 HydrophobicContact CD2-SD 3.76Å; L77-M105 HydrophobicContact CG-SD 4.08Å; L77-I128 HydrophobicContact CD1-CG1 4.44Å; L77-I128 HydrophobicContact CD1-CG2 4.29Å; L77-I128 HydrophobicContact CD2-CD1 4.2Å; L77-I128 HydrophobicContact CD2-CG1 4.41Å; L77-I128 HydrophobicContact CD2-CG2 4.13Å; L77-L144 HydrophobicContact CD1-CD1 3.99Å; L77-L144 HydrophobicContact CD2-CD1 4.42Å; L77-L144 HydrophobicContact CG-CD1 3.91Å; L77-V145 PolarHBondContact N-O 2.89Å; L77-G146 WeakPolarHBondContact O-CA 3.39Å; L77-T147 PolarHBondContact O-N 3.01Å; L77-T147 VanDerWaalsContact O-N 3.14Å; L77-V153 HydrophobicContact CD1-CB 4.36Å; L77-V153 HydrophobicContact CD1-CG1 4.04Å; L77-A154 HydrophobicContact CD1-CB 4.08Å
78H98.7Very high95.9Very high0 Ų032.6 Ų32.60%017%0.166CC..PPolyproline II helixtrans-75166.2-17669.373.3000113.2A82 M86 V103 M105 H108 G150H78-A82 HydrophobicContact CB-CB 4.23Å; H78-A82 VanDerWaalsContact CE1-C 3.49Å; H78-A82 PolarHBondContact CE1-O 3.23Å; H78-A82 PolarHBondContact ND1-O 2.94Å; H78-M86 HydrophobicContact CB-CE 3.93Å; H78-M86 HydrophobicContact CB-SD 4.45Å; H78-V103 PolarHBondContact CD2-O 3.1Å; H78-M105 PolarHBondContact NE2-N 2.84Å; H78-H108 AromaticContact CE1-CD2 3.63Å; H78-H108 AromaticContact CE1-CG 3.57Å; H78-G150 VanDerWaalsContact O-CA 3.3Å; H78-G150 WeakPolarHBondContact O-CA 3.32Å; H78-G150 PolarHBondContact O-N 3.27Å
79G97.8Very high96.2Very high5 Ų528.9 Ų28.95%0.05214%0.142CC..PPolyproline II helixtrans-76.3172.7177.800000114.1A82 T147G79-A82 WeakPolarHBondContact O-CB 3.41Å; G79-A82 PolarHBondContact O-N 3.46Å; G79-T147 WeakPolarHBondContact CA-O 3.29Å; G79-T147 PolarHBondContact N-O 3.14Å
80F97.7Very high96.7Very high19 Ų1927 Ų278%0.08312%0.123CC..THydrogen-bonded Turntrans-55.9140178.2172.1-100.3000111.4A82 M149 L203 I204 Y244 L247 F248 I251F80-A82 PolarHBondContact O-N 3.5Å; F80-M149 HydrophobicContact CB-CB 3.95Å; F80-M149 HydrophobicContact CB-CG 4.45Å; F80-M149 HydrophobicContact CB-SD 3.9Å; F80-M149 HydrophobicContact CD2-SD 4.21Å; F80-L203 HydrophobicContact CD1-CB 3.97Å; F80-L203 HydrophobicContact CD1-CD1 4.26Å; F80-L203 HydrophobicContact CE1-CB 3.95Å; F80-I204 HydrophobicContact CE1-CD1 4.13Å; F80-I204 HydrophobicContact CE1-CG1 3.7Å; F80-I204 HydrophobicContact CZ-CD1 3.77Å; F80-I204 HydrophobicContact CZ-CG1 3.82Å; F80-Y244 WeakPolarHBondContact CE2-O 3.48Å; F80-Y244 VanDerWaalsContact CZ-O 3.29Å; F80-Y244 WeakPolarHBondContact CZ-O 3.4Å; F80-L247 HydrophobicContact CD2-CG 4.43Å; F80-L247 HydrophobicContact CE2-CB 4.39Å; F80-L247 HydrophobicContact CE2-CD2 4.41Å; F80-L247 HydrophobicContact CE2-CG 4.19Å; F80-F248 AromaticContact CD1-CD2 3.99Å; F80-F248 HydrophobicContact CD1-CD2 3.99Å; F80-F248 HydrophobicContact CD2-CD2 4.47Å; F80-F248 HydrophobicContact CE1-CB 4.33Å; F80-F248 AromaticContact CE1-CD2 3.63Å; F80-F248 HydrophobicContact CE1-CD2 3.63Å; F80-F248 HydrophobicContact CE1-CE2 4.42Å; F80-F248 HydrophobicContact CE1-CG 4.36Å; F80-F248 HydrophobicContact CE2-CB 3.8Å; F80-F248 HydrophobicContact CE2-CD2 4.14Å; F80-F248 HydrophobicContact CE2-CG 4.49Å; F80-F248 HydrophobicContact CG-CD2 4.4Å; F80-F248 HydrophobicContact CZ-CB 3.58Å; F80-F248 AromaticContact CZ-CD2 3.73Å; F80-F248 HydrophobicContact CZ-CD2 3.73Å; F80-F248 HydrophobicContact CZ-CG 4.08Å; F80-I251 HydrophobicContact CD2-CD1 3.63Å; F80-I251 HydrophobicContact CE2-CD1 4.25Å; F80-I251 HydrophobicContact CG-CD1 4.49Å
81S95.4Very high97.3Very high2 Ų216.1 Ų16.11%0.0148%0.08CC..THydrogen-bonded Turntrans60.15.1-179.579.20000115.1H108 L203 R237S81-H108 PolarHBondContact N-NE2 2.97Å; S81-L203 PolarHBondContact OG-O 2.85Å; S81-R237 VanDerWaalsContact O-CZ 3.3Å; S81-R237 PolarHBondContact O-NH1 3.16Å; S81-R237 PolarHBondContact O-NH2 3Å; S81-R237 PolarHBondContact OG-NH2 2.87Å
82A96.1Very high97.6Very high17 Ų1714.2 Ų14.214%0.148%0.075CC..  trans-91.3-167.4174.200000110.1H78 G79 F80 M86 H108H78-A82 HydrophobicContact CB-CB 4.23Å; H78-A82 VanDerWaalsContact CE1-C 3.49Å; H78-A82 PolarHBondContact CE1-O 3.23Å; H78-A82 PolarHBondContact ND1-O 2.94Å; G79-A82 WeakPolarHBondContact O-CB 3.41Å; G79-A82 PolarHBondContact O-N 3.46Å; F80-A82 PolarHBondContact O-N 3.5Å; A82-M86 HydrophobicContact CB-SD 4.1Å; A82-H108 PolarHBondContact O-CD2 3.12Å
83H96.8Very high97.7Very high30 Ų3016.4 Ų16.414%0.1398%0.082CC..  trans-153.4169178.759.7103.9000111.1Y39 D85 M86 E109Y39-H83 AromaticContact CE1-CE1 3.83Å; Y39-H83 AromaticContact CE2-CE1 3.59Å; Y39-H83 AromaticContact CE2-NE2 3.8Å; Y39-H83 AromaticContact CZ-CE1 3.48Å; Y39-H83 VanDerWaalsContact CZ-CE1 3.48Å; Y39-H83 AromaticContact CZ-NE2 3.62Å; Y39-H83 PolarHBondContact OH-NE2 2.94Å; H83-D85 PolarHBondContact ND1-N 2.94Å; H83-D85 IonicContact ND1-OD2 3.82Å; H83-D85 PolarHBondContact O-N 2.7Å; H83-M86 VanDerWaalsContact O-CB 3.26Å; H83-M86 WeakPolarHBondContact O-CB 3.49Å; H83-M86 PolarHBondContact O-N 2.83Å; H83-E109 HydrophobicContact CB-CG 3.42Å; H83-E109 VanDerWaalsContact CB-CG 3.42Å
84K97.7Very high97.7Very high17 Ų1716.3 Ų16.37%0.0748%0.081CC..G310 helixtrans-53.8-29.4-176.268.1-167.3171.4-69.80115C61 M86 W87 C102 D104C61-K84 PolarHBondContact SG-NZ 2.87Å; K84-M86 VanDerWaalsContact C-N 3.26Å; K84-M86 PolarHBondContact O-N 2.96Å; K84-W87 VanDerWaalsContact O-CD1 3.31Å; K84-W87 PolarHBondContact O-N 3.43Å; K84-C102 HydrophobicContact CB-CB 4Å; K84-C102 WeakPolarHBondContact CB-O 3.37Å; K84-D104 VanDerWaalsContact CB-OD1 3.25Å; K84-D104 WeakPolarHBondContact CB-OD1 3.28Å; K84-D104 WeakPolarHBondContact CD-OD1 3.42Å; K84-D104 WeakPolarHBondContact CG-OD1 3.28Å; K84-D104 PolarHBondContact N-OD1 3.26Å; K84-D104 VanDerWaalsContact NZ-CG 3.3Å; K84-D104 IonicContact NZ-OD1 3.65Å; K84-D104 PolarHBondContact NZ-OD1 2.81Å; K84-D104 IonicContact NZ-OD2 2.8Å; K84-D104 PolarHBondContact NZ-OD2 3.02Å
85D97.7Very high97.6Very high8 Ų818.4 Ų18.44%0.04310%0.095CC..G310 helixtrans-78.5-7.7-177.5-62.3-45.8000113.7Y39 R43 H83 W87 L88Y39-D85 HydrophobicContact CD1-CB 3.55Å; Y39-D85 HydrophobicContact CE1-CB 3.93Å; Y39-D85 HydrophobicContact CG-CB 4.15Å; R43-D85 VanDerWaalsContact CD-OD1 3.27Å; R43-D85 WeakPolarHBondContact CD-OD1 3.36Å; R43-D85 WeakPolarHBondContact CG-OD1 3.44Å; R43-D85 IonicContact CZ-OD2 3.94Å; R43-D85 IonicContact NH1-OD1 3.9Å; R43-D85 IonicContact NH1-OD2 3.55Å; R43-D85 PolarHBondContact NH1-OD2 3.35Å; H83-D85 PolarHBondContact ND1-N 2.94Å; H83-D85 IonicContact ND1-OD2 3.82Å; H83-D85 PolarHBondContact O-N 2.7Å; D85-W87 PolarHBondContact O-N 3.48Å; D85-L88 HydrophobicContact CB-CD1 3.74Å; D85-L88 HydrophobicContact CB-CG 4.04Å; D85-L88 WeakPolarHBondContact O-CB 3.47Å; D85-L88 VanDerWaalsContact O-CG 3.29Å; D85-L88 WeakPolarHBondContact O-CG 3.42Å; D85-L88 PolarHBondContact O-N 3.37Å
86M97Very high97.3Very high32 Ų3227 Ų2716%0.15813%0.132CC..G310 helixtrans-52.6-35.1166.9-178.3-166.377.300111H78 A82 H83 K84 L88 S89 T147 V310H78-M86 HydrophobicContact CB-CE 3.93Å; H78-M86 HydrophobicContact CB-SD 4.45Å; A82-M86 HydrophobicContact CB-SD 4.1Å; H83-M86 VanDerWaalsContact O-CB 3.26Å; H83-M86 WeakPolarHBondContact O-CB 3.49Å; H83-M86 PolarHBondContact O-N 2.83Å; K84-M86 VanDerWaalsContact C-N 3.26Å; K84-M86 PolarHBondContact O-N 2.96Å; M86-L88 VanDerWaalsContact C-N 3.28Å; M86-L88 PolarHBondContact O-N 3.04Å; M86-S89 PolarHBondContact O-OG 3.25Å; M86-T147 HydrophobicContact CE-CG2 3.41Å; M86-T147 VanDerWaalsContact CE-CG2 3.41Å; M86-T147 HydrophobicContact SD-CG2 4.24Å; M86-V310 HydrophobicContact CE-CG1 4.29Å; M86-V310 HydrophobicContact CG-CG1 4.35Å
87W98.4Very high97Very high0 Ų031.8 Ų31.80%016%0.158CC..G310 helixtrans-70.7-16.3-180-61.4117000114.2M76 L77 K84 D85 S89 I90 V91 C102 V145 T147 I171 V310M76-W87 HydrophobicContact CB-CD2 3.82Å; M76-W87 VanDerWaalsContact CB-CE2 3.47Å; M76-W87 HydrophobicContact CB-CG 4.03Å; M76-W87 HydrophobicContact CB-CZ2 3.86Å; M76-W87 HydrophobicContact CG-CD2 4.44Å; M76-W87 HydrophobicContact SD-CB 4.07Å; M76-W87 HydrophobicContact SD-CD2 3.91Å; M76-W87 HydrophobicContact SD-CE3 4.05Å; M76-W87 HydrophobicContact SD-CG 3.95Å; L77-W87 WeakPolarHBondContact O-CZ2 3.45Å; K84-W87 VanDerWaalsContact O-CD1 3.31Å; K84-W87 PolarHBondContact O-N 3.43Å; D85-W87 PolarHBondContact O-N 3.48Å; W87-S89 PolarHBondContact O-N 3.24Å; W87-S89 VanDerWaalsContact O-N 3.09Å; W87-I90 HydrophobicContact CB-CG1 4.45Å; W87-I90 HydrophobicContact CD2-CD1 4.41Å; W87-I90 HydrophobicContact CE3-CD1 3.34Å; W87-I90 HydrophobicContact CE3-CG1 3.83Å; W87-I90 HydrophobicContact CZ3-CD1 3.71Å; W87-I90 WeakPolarHBondContact O-CG1 3.36Å; W87-I90 PolarHBondContact O-N 3.29Å; W87-V91 HydrophobicContact CB-CG2 4.35Å; W87-V91 WeakPolarHBondContact O-CG2 3.26Å; W87-V91 PolarHBondContact O-N 2.93Å; W87-C102 HydrophobicContact CG-CB 4.5Å; W87-V145 HydrophobicContact CH2-CG1 3.86Å; W87-V145 HydrophobicContact CZ3-CG1 4.2Å; W87-T147 HydrophobicContact CH2-CG2 4Å; W87-T147 HydrophobicContact CZ2-CG2 4.08Å; W87-I171 HydrophobicContact CH2-CD1 4.37Å; W87-I171 HydrophobicContact CZ3-CD1 4.26Å; W87-V310 HydrophobicContact CE3-CG1 3.98Å; W87-V310 HydrophobicContact CE3-CG2 4.22Å; W87-V310 HydrophobicContact CH2-CG2 4.27Å; W87-V310 HydrophobicContact CZ3-CG1 4.19Å; W87-V310 HydrophobicContact CZ3-CG2 3.58Å
88L98.1Very high96.8Very high11 Ų1132.3 Ų32.36%0.05816%0.16CC..Hα-helixtrans-57.1-30.3177.1-61.8179.4000112.2Y39 W42 R43 L46 M48 D85 M86 I90 V91 K92Y39-L88 HydrophobicContact CD1-CD1 4.14Å; W42-L88 HydrophobicContact CB-CD1 3.87Å; R43-L88 HydrophobicContact CG-CD1 3.91Å; R43-L88 HydrophobicContact CG-CD2 4.16Å; L46-L88 HydrophobicContact CD1-CB 4.14Å; L46-L88 HydrophobicContact CD1-CD2 4.12Å; M48-L88 HydrophobicContact CB-CD2 4.39Å; M48-L88 HydrophobicContact CG-CD2 3.73Å; D85-L88 HydrophobicContact CB-CD1 3.74Å; D85-L88 HydrophobicContact CB-CG 4.04Å; D85-L88 WeakPolarHBondContact O-CB 3.47Å; D85-L88 VanDerWaalsContact O-CG 3.29Å; D85-L88 WeakPolarHBondContact O-CG 3.42Å; D85-L88 PolarHBondContact O-N 3.37Å; M86-L88 VanDerWaalsContact C-N 3.28Å; M86-L88 PolarHBondContact O-N 3.04Å; L88-I90 VanDerWaalsContact C-N 3.29Å; L88-I90 PolarHBondContact O-N 3.45Å; L88-V91 PolarHBondContact O-N 3.04Å; L88-K92 PolarHBondContact O-N 2.87Å
89S96.8Very high96.8Very high18 Ų1833.3 Ų33.313%0.12617%0.165CC..Hα-helixtrans-58-37.3175.561.80000113M86 W87 K92 F93 V310 P314M86-S89 PolarHBondContact O-OG 3.25Å; W87-S89 PolarHBondContact O-N 3.24Å; W87-S89 VanDerWaalsContact O-N 3.09Å; S89-K92 VanDerWaalsContact O-CE 3.28Å; S89-K92 WeakPolarHBondContact O-CE 3.31Å; S89-K92 WeakPolarHBondContact O-CG 3.25Å; S89-F93 WeakPolarHBondContact O-CD2 3.39Å; S89-F93 WeakPolarHBondContact O-CE2 3.45Å; S89-V310 VanDerWaalsContact OG-CG1 3.25Å; S89-V310 WeakPolarHBondContact OG-CG1 3.43Å; S89-V310 PolarHBondContact OG-O 3.1Å; S89-P314 WeakPolarHBondContact O-CB 3.33Å
90I97.6Very high96.8Very high0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-94.3-34.6176.861.5158.9000112.5M76 W87 L88 K92 F93 L94 V310 P314 T317 M321M76-I90 HydrophobicContact CE-CD1 4.45Å; M76-I90 HydrophobicContact SD-CD1 4.01Å; W87-I90 HydrophobicContact CB-CG1 4.45Å; W87-I90 HydrophobicContact CD2-CD1 4.41Å; W87-I90 HydrophobicContact CE3-CD1 3.34Å; W87-I90 HydrophobicContact CE3-CG1 3.83Å; W87-I90 HydrophobicContact CZ3-CD1 3.71Å; W87-I90 WeakPolarHBondContact O-CG1 3.36Å; W87-I90 PolarHBondContact O-N 3.29Å; L88-I90 VanDerWaalsContact C-N 3.29Å; L88-I90 PolarHBondContact O-N 3.45Å; I90-K92 PolarHBondContact O-N 3.42Å; I90-K92 VanDerWaalsContact O-N 3.12Å; I90-F93 PolarHBondContact O-N 3.3Å; I90-L94 PolarHBondContact O-N 2.95Å; I90-V310 HydrophobicContact CG2-CB 4.46Å; I90-V310 HydrophobicContact CG2-CG1 3.79Å; I90-P314 HydrophobicContact CG2-CB 4.02Å; I90-T317 HydrophobicContact CG2-CG2 4.3Å; I90-M321 HydrophobicContact CD1-CE 4.36Å; I90-M321 HydrophobicContact CD1-SD 4.03Å
91V98Very high96.9Very high0 Ų032.2 Ų32.20%016%0.159CC..Hα-helixtrans-57.3-32-176.7166.90000111.8L46 M48 R65 W87 L88 F93 L94 L100L46-V91 HydrophobicContact CB-CG1 4.25Å; L46-V91 HydrophobicContact CD1-CB 4.41Å; L46-V91 HydrophobicContact CD1-CG1 4.2Å; M48-V91 HydrophobicContact CG-CG1 4.25Å; M48-V91 HydrophobicContact SD-CG1 3.86Å; M48-V91 HydrophobicContact SD-CG2 4.48Å; R65-V91 PolarHBondContact NH1-O 3.47Å; R65-V91 VanDerWaalsContact NH1-O 3.12Å; W87-V91 HydrophobicContact CB-CG2 4.35Å; W87-V91 WeakPolarHBondContact O-CG2 3.26Å; W87-V91 PolarHBondContact O-N 2.93Å; L88-V91 PolarHBondContact O-N 3.04Å; V91-F93 PolarHBondContact O-N 3.01Å; V91-L94 PolarHBondContact O-N 3.5Å; V91-L94 VanDerWaalsContact O-N 3.15Å; V91-L100 HydrophobicContact CB-CD1 4.46Å; V91-L100 HydrophobicContact CG1-CD1 4.05Å; V91-L100 HydrophobicContact CG2-CD1 3.94Å
92K97.2Very high97Very high96 Ų9632.1 Ų32.142%0.41716%0.158SC..THydrogen-bonded Turntrans-63.2-19175.172.8-175.2-178.9-179.40114.6L46 L88 S89 I90L46-K92 HydrophobicContact CD1-CB 4.01Å; L46-K92 HydrophobicContact CD2-CB 3.6Å; L46-K92 HydrophobicContact CG-CB 4.46Å; L88-K92 PolarHBondContact O-N 2.87Å; S89-K92 VanDerWaalsContact O-CE 3.28Å; S89-K92 WeakPolarHBondContact O-CE 3.31Å; S89-K92 WeakPolarHBondContact O-CG 3.25Å; I90-K92 PolarHBondContact O-N 3.42Å; I90-K92 VanDerWaalsContact O-N 3.12Å
93F98.2Very high97.1Very high77 Ų7731.3 Ų31.334%0.33815%0.151SC..THydrogen-bonded Turntrans-104.6-2.9177.5-59.3-65.1000113.1S89 I90 V91 P314 R315 A318S89-F93 WeakPolarHBondContact O-CD2 3.39Å; S89-F93 WeakPolarHBondContact O-CE2 3.45Å; I90-F93 PolarHBondContact O-N 3.3Å; V91-F93 PolarHBondContact O-N 3.01Å; F93-P314 HydrophobicContact CD2-CB 4.1Å; F93-P314 HydrophobicContact CE2-CB 3.78Å; F93-P314 HydrophobicContact CE2-CG 3.97Å; F93-R315 HydrophobicContact CD1-CB 4.19Å; F93-R315 HydrophobicContact CD1-CG 3.98Å; F93-R315 HydrophobicContact CD2-CB 4.08Å; F93-R315 HydrophobicContact CE1-CB 3.99Å; F93-R315 HydrophobicContact CE1-CG 4Å; F93-R315 HydrophobicContact CE2-CB 3.85Å; F93-R315 HydrophobicContact CG-CB 4.22Å; F93-R315 HydrophobicContact CG-CG 4.31Å; F93-R315 HydrophobicContact CZ-CB 3.8Å; F93-R315 HydrophobicContact CZ-CG 4.33Å; F93-A318 HydrophobicContact CB-CB 3.54Å
94L97.5Very high97.2Very high8 Ų829.9 Ų29.94%0.04215%0.145CC..SBendtrans-92.2141.9178.3-65.4179000111.1R65 M76 I90 V91 K96 L98 L100 A318 L322R65-L94 PolarHBondContact NH2-O 2.97Å; M76-L94 HydrophobicContact CE-CD1 3.82Å; I90-L94 PolarHBondContact O-N 2.95Å; V91-L94 PolarHBondContact O-N 3.5Å; V91-L94 VanDerWaalsContact O-N 3.15Å; L94-K96 PolarHBondContact O-N 2.8Å; L94-L98 HydrophobicContact CB-CD1 4.38Å; L94-L100 HydrophobicContact CB-CD1 4.36Å; L94-L100 HydrophobicContact CD1-CD1 3.84Å; L94-L100 HydrophobicContact CD1-CD2 4.21Å; L94-A318 HydrophobicContact CD2-CB 3.95Å; L94-A318 HydrophobicContact CG-CB 4.44Å; L94-L322 HydrophobicContact CD2-CD1 4.27Å; L94-L322 HydrophobicContact CD2-CD2 4.11Å; L94-L322 HydrophobicContact CD2-CG 4.06Å
95P95.6Very high97.2Very high47 Ų4729 Ų2931%0.30514%0.141SC..  trans-53.1136.8177-26.133.3000113R65 N97 L98 L322R65-P95 PolarHBondContact NH2-O 3.23Å; P95-N97 WeakPolarHBondContact CB-OD1 3.26Å; P95-N97 PolarHBondContact O-N 3.48Å; P95-L98 HydrophobicContact CB-CD1 4.49Å; P95-L98 HydrophobicContact CB-CG 4.26Å; P95-L98 HydrophobicContact CG-CD1 4.35Å; P95-L98 PolarHBondContact O-N 3.03Å; P95-L322 HydrophobicContact CG-CD1 4.37Å; P95-L322 HydrophobicContact CG-CD2 4.03Å
96K93.8Very high97.1Very high180 Ų18028.7 Ų28.778%0.78314%0.139SC*.THydrogen-bonded Turntrans-64.4-20.5-175.9-68.2-173.4178.6-178.40113.9L94L94-K96 PolarHBondContact O-N 2.8Å
97N91.8Very high97Very high101 Ų10127.2 Ų27.254%0.5413%0.132SC..THydrogen-bonded Turntrans-85.2-3.4179.768.8-34000114P95P95-N97 WeakPolarHBondContact CB-OD1 3.26Å; P95-N97 PolarHBondContact O-N 3.48Å
98L95.4Very high96.9Very high11 Ų1127.2 Ų27.26%0.05813%0.132CC..SBendtrans-75138.8172.4-64.2178.9000110.6I74 L94 P95 L100 L322I74-L98 HydrophobicContact CD1-CD1 4Å; L94-L98 HydrophobicContact CB-CD1 4.38Å; P95-L98 HydrophobicContact CB-CD1 4.49Å; P95-L98 HydrophobicContact CB-CG 4.26Å; P95-L98 HydrophobicContact CG-CD1 4.35Å; P95-L98 PolarHBondContact O-N 3.03Å; L98-L100 HydrophobicContact CB-CD2 3.7Å; L98-L100 HydrophobicContact CB-CG 4.22Å; L98-L100 HydrophobicContact CD1-CD2 4.36Å; L98-L100 PolarHBondContact O-N 2.76Å; L98-L322 HydrophobicContact CD1-CD2 4.09Å
99H97.9Very high96.7Very high20 Ų2029 Ų299%0.09314%0.14CC..  trans-83.3110.5167.6-173.2-134.1000109.4R65 R67 S73 I74R65-H99 CarbonylContact O-C 3.56Å; R65-H99 VanDerWaalsContact O-CA 3.32Å; R65-H99 WeakPolarHBondContact O-CA 3.21Å; R65-H99 PolarHBondContact O-CD2 3.41Å; R67-H99 VanDerWaalsContact C-CG 3.47Å; R67-H99 WeakPolarHBondContact O-CB 3.48Å; S73-H99 WeakPolarHBondContact CB-ND1 3.33Å; S73-H99 PolarHBondContact OG-ND1 2.78Å; I74-H99 PolarHBondContact N-O 3.09Å
100L98.6Very high96.4Very high0 Ų029.6 Ų29.60%015%0.149CC..EExtended strand (participates in β ladder)trans-113137.6-177.6-51.3-176.8000109.4Y64 R65 I74 M76 V91 L94 L98Y64-L100 CarbonylContact C-O 3.51Å; Y64-L100 WeakPolarHBondContact CA-O 3.37Å; Y64-L100 VanDerWaalsContact CB-O 3.3Å; Y64-L100 WeakPolarHBondContact CB-O 3.27Å; R65-L100 PolarHBondContact N-O 2.82Å; R65-L100 PolarHBondContact O-N 3.1Å; I74-L100 HydrophobicContact CB-CD2 3.87Å; I74-L100 HydrophobicContact CD1-CD2 3.81Å; I74-L100 HydrophobicContact CG1-CD2 4.06Å; M76-L100 HydrophobicContact CE-CB 4.36Å; M76-L100 HydrophobicContact CE-CD1 4.26Å; M76-L100 HydrophobicContact CE-CD2 3.8Å; M76-L100 HydrophobicContact CE-CG 4.37Å; V91-L100 HydrophobicContact CB-CD1 4.46Å; V91-L100 HydrophobicContact CG1-CD1 4.05Å; V91-L100 HydrophobicContact CG2-CD1 3.94Å; L94-L100 HydrophobicContact CB-CD1 4.36Å; L94-L100 HydrophobicContact CD1-CD1 3.84Å; L94-L100 HydrophobicContact CD1-CD2 4.21Å; L98-L100 HydrophobicContact CB-CD2 3.7Å; L98-L100 HydrophobicContact CB-CG 4.22Å; L98-L100 HydrophobicContact CD1-CD2 4.36Å; L98-L100 PolarHBondContact O-N 2.76Å
101V98.8Very high96.4Very high1 Ų129.7 Ų29.71%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-130124.4174.6-177.30000108.3Y62 I74 L75 M76 F131 I135 L137Y62-V101 HydrophobicContact CD2-CG1 3.93Å; I74-V101 PolarHBondContact O-N 3.1Å; L75-V101 CarbonylContact C-O 3.58Å; L75-V101 WeakPolarHBondContact CA-O 3.36Å; L75-V101 HydrophobicContact CD1-CB 4.05Å; L75-V101 HydrophobicContact CD1-CG1 3.79Å; M76-V101 PolarHBondContact N-O 3.26Å; V101-F131 HydrophobicContact CG1-CE1 3.95Å; V101-F131 HydrophobicContact CG1-CZ 3.88Å; V101-I135 HydrophobicContact CG1-CD1 3.99Å; V101-I135 HydrophobicContact CG2-CD1 4.4Å; V101-L137 HydrophobicContact CG2-CD1 4.32Å
102C98.7Very high96.1Very high0 Ų031.9 Ų31.90%016%0.163CC..EExtended strand (participates in β ladder)trans-124.8109.9179.7-57.30000108.2M48 Y62 S63 K84 W87M48-C102 HydrophobicContact CE-CB 4.5Å; Y62-C102 CarbonylContact C-O 3.57Å; Y62-C102 VanDerWaalsContact CA-O 3.25Å; Y62-C102 WeakPolarHBondContact CA-O 3.3Å; Y62-C102 WeakPolarHBondContact CB-O 3.32Å; S63-C102 PolarHBondContact N-O 2.8Å; S63-C102 PolarHBondContact O-N 2.79Å; K84-C102 HydrophobicContact CB-CB 4Å; K84-C102 WeakPolarHBondContact CB-O 3.37Å; W87-C102 HydrophobicContact CG-CB 4.5Å
103V98.6Very high95.9Very high0 Ų030.5 Ų30.50%016%0.155CC..EExtended strand (participates in β ladder)trans-96141.9-175.169.20000110.4L75 M76 L77 H78 M105 I128 F131L75-V103 HydrophobicContact CD1-CG1 4.45Å; M76-V103 PolarHBondContact O-N 3.28Å; L77-V103 HydrophobicContact CD2-CG1 3.6Å; H78-V103 PolarHBondContact CD2-O 3.1Å; V103-M105 HydrophobicContact CG1-SD 4.11Å; V103-M105 PolarHBondContact O-N 3.13Å; V103-I128 HydrophobicContact CG1-CD1 3.96Å; V103-F131 HydrophobicContact CB-CD1 4.26Å; V103-F131 HydrophobicContact CB-CE1 3.8Å; V103-F131 HydrophobicContact CB-CZ 4.14Å; V103-F131 HydrophobicContact CG1-CE1 4.49Å; V103-F131 HydrophobicContact CG2-CD1 3.93Å; V103-F131 HydrophobicContact CG2-CD2 4.31Å; V103-F131 HydrophobicContact CG2-CE1 3.78Å; V103-F131 HydrophobicContact CG2-CE2 4.18Å; V103-F131 HydrophobicContact CG2-CG 4.18Å; V103-F131 HydrophobicContact CG2-CZ 3.91Å
104D98.5Very high95.2Very high0 Ų028.7 Ų28.70%015%0.152CC..  trans-73.1113.5159.4-70.4-25.4000107.1C61 K84 E109 G110 T111C61-D104 HydrophobicContact CB-CB 4.49Å; C61-D104 PolarHBondContact O-N 2.84Å; K84-D104 VanDerWaalsContact CB-OD1 3.25Å; K84-D104 WeakPolarHBondContact CB-OD1 3.28Å; K84-D104 WeakPolarHBondContact CD-OD1 3.42Å; K84-D104 WeakPolarHBondContact CG-OD1 3.28Å; K84-D104 PolarHBondContact N-OD1 3.26Å; K84-D104 VanDerWaalsContact NZ-CG 3.3Å; K84-D104 IonicContact NZ-OD1 3.65Å; K84-D104 PolarHBondContact NZ-OD1 2.81Å; K84-D104 IonicContact NZ-OD2 2.8Å; K84-D104 PolarHBondContact NZ-OD2 3.02Å; D104-E109 HydrophobicContact CB-CB 4.27Å; D104-E109 WeakPolarHBondContact OD2-CB 3.39Å; D104-G110 PolarHBondContact OD2-N 3.31Å; D104-T111 WeakPolarHBondContact O-CB 3.17Å; D104-T111 PolarHBondContact O-OG1 3.29Å
105M97.6Very high94.2Very high0 Ų033.2 Ų33.20%018%0.184CC..  trans-57148.6-175.9-66.9-68-67.700111.1L77 H78 V103 G107 H108 I128 M149 V153L77-M105 HydrophobicContact CB-CE 4.37Å; L77-M105 HydrophobicContact CB-SD 3.65Å; L77-M105 HydrophobicContact CD1-CE 4.33Å; L77-M105 HydrophobicContact CD1-SD 4.28Å; L77-M105 HydrophobicContact CD2-SD 3.76Å; L77-M105 HydrophobicContact CG-SD 4.08Å; H78-M105 PolarHBondContact NE2-N 2.84Å; V103-M105 HydrophobicContact CG1-SD 4.11Å; V103-M105 PolarHBondContact O-N 3.13Å; M105-G107 PolarHBondContact O-N 3.48Å; M105-H108 WeakPolarHBondContact O-CA 3.44Å; M105-H108 VanDerWaalsContact O-CB 3.27Å; M105-H108 WeakPolarHBondContact O-CB 3.12Å; M105-H108 PolarHBondContact O-N 2.88Å; M105-H108 PolarHBondContact O-ND1 3.15Å; M105-I128 HydrophobicContact CE-CD1 4.13Å; M105-I128 HydrophobicContact CE-CG1 3.99Å; M105-I128 HydrophobicContact SD-CD1 3.8Å; M105-I128 HydrophobicContact SD-CG1 4.23Å; M105-M149 HydrophobicContact CB-CE 4.01Å; M105-M149 HydrophobicContact CE-CE 4.2Å; M105-M149 HydrophobicContact CG-CE 4.01Å; M105-V153 HydrophobicContact CE-CB 3.98Å; M105-V153 HydrophobicContact CE-CG1 3.89Å; M105-V153 HydrophobicContact CE-CG2 3.92Å
106P95.9Very high93.3Very high1 Ų138.5 Ų38.51%0.00621%0.209CC..THydrogen-bonded Turntrans-43.5128.9171.7-27.330.2000112.1Y58 F60 H108 Y119 Q124 R127 I128Y58-P106 WeakPolarHBondContact OH-CA 3.36Å; Y58-P106 WeakPolarHBondContact OH-CB 3.44Å; F60-P106 HydrophobicContact CE1-CG 4.47Å; P106-H108 PolarHBondContact O-ND1 3.44Å; P106-Y119 HydrophobicContact CB-CD1 4.43Å; P106-Y119 HydrophobicContact CB-CE1 4.14Å; P106-Q124 VanDerWaalsContact CB-OE1 3.25Å; P106-Q124 VanDerWaalsContact CG-OE1 3.27Å; P106-Q124 PolarHBondContact O-NE2 3.49Å; P106-R127 HydrophobicContact CB-CB 4.22Å; P106-R127 HydrophobicContact CB-CG 4.45Å; P106-R127 HydrophobicContact CG-CB 3.49Å; P106-R127 VanDerWaalsContact CG-CB 3.49Å; P106-R127 HydrophobicContact CG-CG 4.23Å; P106-I128 HydrophobicContact CG-CD1 4.29Å
107G93.9Very high92.9Very high0 Ų031 Ų310%018%0.178CC..THydrogen-bonded Turntrans88.8-3.6-17400000115.5M105 R113 F243M105-G107 PolarHBondContact O-N 3.48Å; G107-R113 PolarHBondContact O-NE 3.12Å; G107-R113 PolarHBondContact O-NH2 2.94Å; G107-F243 WeakPolarHBondContact O-CD1 3.25Å
108H95.9Very high92.9Very high0 Ų030.4 Ų30.40%017%0.174CC..SBendtrans-115.3141.8-177.5-60.477.6000113.5H78 S81 A82 M105 P106 G110 T111 Y244 L247H78-H108 AromaticContact CE1-CD2 3.63Å; H78-H108 AromaticContact CE1-CG 3.57Å; S81-H108 PolarHBondContact N-NE2 2.97Å; A82-H108 PolarHBondContact O-CD2 3.12Å; M105-H108 WeakPolarHBondContact O-CA 3.44Å; M105-H108 VanDerWaalsContact O-CB 3.27Å; M105-H108 WeakPolarHBondContact O-CB 3.12Å; M105-H108 PolarHBondContact O-N 2.88Å; M105-H108 PolarHBondContact O-ND1 3.15Å; P106-H108 PolarHBondContact O-ND1 3.44Å; H108-G110 PolarHBondContact O-N 3.17Å; H108-T111 PolarHBondContact O-N 3.05Å; H108-T111 VanDerWaalsContact O-N 3.11Å; H108-Y244 HydrophobicContact CB-CE1 4.28Å; H108-Y244 AromaticContact CD2-CE1 3.3Å; H108-Y244 WeakPolarHBondContact CD2-CE1 3.37Å; H108-Y244 AromaticContact CD2-CZ 3.73Å; H108-Y244 AromaticContact CG-CE1 3.82Å; H108-Y244 AromaticContact NE2-CE1 3.91Å; H108-L247 WeakPolarHBondContact CE1-CD2 3.26Å
109E94.1Very high92.8Very high49 Ų4930.5 Ų30.523%0.22917%0.174CC..THydrogen-bonded Turntrans43.8-116.3168.9-57.8-56.3130.700115.2H83 D104 T111 H240 Y244H83-E109 HydrophobicContact CB-CG 3.42Å; H83-E109 VanDerWaalsContact CB-CG 3.42Å; D104-E109 HydrophobicContact CB-CB 4.27Å; D104-E109 WeakPolarHBondContact OD2-CB 3.39Å; E109-T111 VanDerWaalsContact C-N 3.32Å; E109-T111 PolarHBondContact O-N 3.01Å; E109-H240 IonicContact OE1-CD2 3.29Å; E109-H240 IonicContact OE1-CG 3.28Å; E109-H240 IonicContact OE1-NE2 2.61Å; E109-H240 IonicContact OE2-NE2 3.85Å; E109-Y244 PolarHBondContact OE1-OH 3.22Å
110G91.6Very high92.7Very high30 Ų3030.3 Ų30.331%0.30918%0.175SC..THydrogen-bonded Turntrans-85.20.8-172.400000114.6C61 D104 H108C61-G110 VanDerWaalsContact CB-O 3.22Å; C61-G110 WeakPolarHBondContact CB-O 3.29Å; D104-G110 PolarHBondContact OD2-N 3.31Å; H108-G110 PolarHBondContact O-N 3.17Å
111T96.3Very high92.7Very high3 Ų330.3 Ų30.32%0.01818%0.175CC..SBendtrans-88.2138.5174.5-69.60000109.6Y58 Q59 F60 C61 D104 H108 E109 R113Y58-T111 HydrophobicContact CE1-CG2 3.66Å; Y58-T111 VanDerWaalsContact OH-CG2 3.29Å; Y58-T111 WeakPolarHBondContact OH-CG2 3.45Å; Q59-T111 CarbonylContact O-C 3.53Å; Q59-T111 WeakPolarHBondContact O-CA 3.13Å; F60-T111 HydrophobicContact CD1-CG2 4.06Å; C61-T111 PolarHBondContact N-OG1 2.78Å; D104-T111 WeakPolarHBondContact O-CB 3.17Å; D104-T111 PolarHBondContact O-OG1 3.29Å; H108-T111 PolarHBondContact O-N 3.05Å; H108-T111 VanDerWaalsContact O-N 3.11Å; E109-T111 VanDerWaalsContact C-N 3.32Å; E109-T111 PolarHBondContact O-N 3.01Å; T111-R113 PolarHBondContact O-N 3.46Å
112T92.8Very high92.6Very high45 Ų4532.6 Ų32.628%0.27619%0.187SC..  trans-49.1138-177.2-67.60000111.7Y58 Q59Y58-T112 HydrophobicContact CD2-CG2 3.93Å; Y58-T112 HydrophobicContact CE2-CG2 4.09Å; Y58-T112 WeakPolarHBondContact CE2-O 3.49Å; Y58-T112 PolarHBondContact OH-O 2.91Å; Q59-T112 WeakPolarHBondContact CB-OG1 3.33Å; Q59-T112 PolarHBondContact N-OG1 2.83Å; Q59-T112 PolarHBondContact O-N 2.86Å; Q59-T112 PolarHBondContact O-OG1 2.83Å
113R91.8Very high92.5Very high68 Ų6832.8 Ų32.826%0.25719%0.189SC..  trans-114122.6174-70.9175.6174176.1-0108.8G107 T111 H240 F243 Y244G107-R113 PolarHBondContact O-NE 3.12Å; G107-R113 PolarHBondContact O-NH2 2.94Å; T111-R113 PolarHBondContact O-N 3.46Å; R113-H240 PolarHBondContact NH1-ND1 3.29Å; R113-H240 PolarHBondContact NH2-ND1 3.1Å; R113-F243 HydrophobicContact CB-CD2 4.16Å; R113-F243 HydrophobicContact CB-CE1 4.33Å; R113-F243 HydrophobicContact CB-CE2 3.7Å; R113-F243 HydrophobicContact CB-CZ 3.78Å; R113-F243 HydrophobicContact CG-CD1 4.1Å; R113-F243 HydrophobicContact CG-CD2 4.27Å; R113-F243 HydrophobicContact CG-CE1 3.92Å; R113-F243 HydrophobicContact CG-CE2 4.08Å; R113-F243 HydrophobicContact CG-CG 4.26Å; R113-F243 HydrophobicContact CG-CZ 3.89Å; R113-Y244 VanDerWaalsContact NH2-CE1 3.29Å; R113-Y244 PolarHBondContact NH2-OH 2.85Å
114S84.8Confident92.4Very high39 Ų3932.8 Ų32.827%0.27319%0.189SC..  trans-130.7132.5171.1173.80000109.1L116 D117 Y119S114-L116 PolarHBondContact O-N 2.82Å; S114-L116 VanDerWaalsContact O-N 3.16Å; S114-L116 PolarHBondContact OG-N 2.82Å; S114-D117 WeakPolarHBondContact CB-OD2 3.27Å; S114-D117 PolarHBondContact N-OD2 3.36Å; S114-D117 PolarHBondContact O-N 2.81Å; S114-Y119 PolarHBondContact N-OH 3.35Å; S114-Y119 VanDerWaalsContact N-OH 3.09Å; S114-Y119 WeakPolarHBondContact O-CE2 3.44Å; S114-Y119 PolarHBondContact O-OH 3.37Å
115S75.7Confident92.4Very high102 Ų10232.8 Ų32.871%0.71319%0.189SC*.THydrogen-bonded Turntrans-67.4-9.817653.80000113.8
116L76.7Confident92.4Very high158 Ų15838.8 Ų38.883%0.82722%0.215SC*.THydrogen-bonded Turntrans-92.1-7.4177.8-59.5175.5000112.8S114S114-L116 PolarHBondContact O-N 2.82Å; S114-L116 VanDerWaalsContact O-N 3.16Å; S114-L116 PolarHBondContact OG-N 2.82Å
117D85.6Confident92.5Very high24 Ų2441.3 Ų41.313%0.12823%0.225CC..SBendtrans-75.2143.7180-68.2-36.9000111.7Y58 S114 Y119 R127Y58-D117 WeakPolarHBondContact CE2-OD2 3.25Å; S114-D117 WeakPolarHBondContact CB-OD2 3.27Å; S114-D117 PolarHBondContact N-OD2 3.36Å; S114-D117 PolarHBondContact O-N 2.81Å; D117-Y119 HydrophobicContact CB-CD2 4.14Å; D117-Y119 HydrophobicContact CB-CE1 4.18Å; D117-Y119 HydrophobicContact CB-CE2 3.58Å; D117-Y119 WeakPolarHBondContact O-CD2 3.3Å; D117-Y119 PolarHBondContact O-N 2.61Å; D117-Y119 PolarHBondContact OD2-OH 3.31Å; D117-R127 IonicContact OD1-CZ 2.71Å; D117-R127 IonicContact OD1-NE 3.67Å; D117-R127 IonicContact OD1-NH2 3.75Å; D117-R127 PolarHBondContact OD1-NH2 3.39Å
118D91.9Very high92.7Very high88 Ų8841.3 Ų41.347%0.47123%0.225SC..  trans-73.4106.9164176.410.6000109.8S120 G123D118-S120 VanDerWaalsContact CG-OG 3.31Å; D118-S120 WeakPolarHBondContact OD1-CB 3.38Å; D118-S120 PolarHBondContact OD1-N 3.29Å; D118-S120 PolarHBondContact OD1-OG 2.86Å; D118-S120 PolarHBondContact OD2-OG 3.17Å; D118-G123 WeakPolarHBondContact O-CA 3.38Å; D118-G123 WeakPolarHBondContact OD2-CA 3.45Å
119Y94.4Very high92.8Very high13 Ų1342.5 Ų42.55%0.05123%0.23CC..  trans-98.58.7176.2-71.7-66.8000113.9P106 S114 D117 F243 L247P106-Y119 HydrophobicContact CB-CD1 4.43Å; P106-Y119 HydrophobicContact CB-CE1 4.14Å; S114-Y119 PolarHBondContact N-OH 3.35Å; S114-Y119 VanDerWaalsContact N-OH 3.09Å; S114-Y119 WeakPolarHBondContact O-CE2 3.44Å; S114-Y119 PolarHBondContact O-OH 3.37Å; D117-Y119 HydrophobicContact CB-CD2 4.14Å; D117-Y119 HydrophobicContact CB-CE1 4.18Å; D117-Y119 HydrophobicContact CB-CE2 3.58Å; D117-Y119 WeakPolarHBondContact O-CD2 3.3Å; D117-Y119 PolarHBondContact O-N 2.61Å; D117-Y119 PolarHBondContact OD2-OH 3.31Å; Y119-F243 HydrophobicContact CD2-CZ 4.33Å; Y119-F243 HydrophobicContact CE1-CE1 4.3Å; Y119-F243 HydrophobicContact CE1-CZ 4.4Å; Y119-F243 AromaticContact CE2-CE1 3.97Å; Y119-F243 HydrophobicContact CE2-CE1 3.97Å; Y119-F243 AromaticContact CE2-CZ 3.45Å; Y119-F243 HydrophobicContact CE2-CZ 3.45Å; Y119-F243 VanDerWaalsContact CE2-CZ 3.45Å; Y119-F243 AromaticContact CZ-CE1 3.85Å; Y119-F243 AromaticContact CZ-CZ 3.52Å; Y119-L247 HydrophobicContact CD1-CD1 4.01Å; Y119-L247 HydrophobicContact CG-CD1 3.97Å
120S95.8Very high93Very high15 Ų1541.3 Ų41.311%0.10522%0.224CC..SBendtrans-56.4164.5167.773.20000110.4D118 N122 G123 Q124 S256D118-S120 VanDerWaalsContact CG-OG 3.31Å; D118-S120 WeakPolarHBondContact OD1-CB 3.38Å; D118-S120 PolarHBondContact OD1-N 3.29Å; D118-S120 PolarHBondContact OD1-OG 2.86Å; D118-S120 PolarHBondContact OD2-OG 3.17Å; S120-N122 PolarHBondContact O-N 3.39Å; S120-G123 PolarHBondContact O-N 2.79Å; S120-G123 VanDerWaalsContact O-N 3.1Å; S120-G123 PolarHBondContact OG-N 3.14Å; S120-G123 VanDerWaalsContact OG-N 3.1Å; S120-Q124 WeakPolarHBondContact O-CB 3.27Å; S120-Q124 VanDerWaalsContact O-CG 3.27Å; S120-Q124 WeakPolarHBondContact O-CG 3.46Å; S120-Q124 PolarHBondContact O-N 2.91Å; S120-S256 VanDerWaalsContact CA-OG 3.3Å; S120-S256 WeakPolarHBondContact CA-OG 3.45Å; S120-S256 WeakPolarHBondContact CB-OG 3.46Å
121I97.5Very high93.3Very high0 Ų039.9 Ų39.90%021%0.21CC..Hα-helixtrans-62.1-33.7179.5-63.5-68.8000112A125 M149 N152 V153 V156 I251 S256I121-A125 WeakPolarHBondContact O-CB 3.44Å; I121-A125 PolarHBondContact O-N 3.11Å; I121-M149 HydrophobicContact CD1-CG 4.27Å; I121-N152 HydrophobicContact CD1-CB 4.22Å; I121-N152 WeakPolarHBondContact CD1-ND2 3.43Å; I121-N152 WeakPolarHBondContact CG1-ND2 3.31Å; I121-N152 HydrophobicContact CG2-CB 4.44Å; I121-V153 HydrophobicContact CD1-CG2 3.98Å; I121-V153 HydrophobicContact CG2-CG2 4.19Å; I121-V156 HydrophobicContact CG2-CB 4.32Å; I121-V156 HydrophobicContact CG2-CG2 3.82Å; I121-I251 HydrophobicContact CD1-CG1 4.41Å; I121-I251 HydrophobicContact CD1-CG2 4.32Å; I121-S256 PolarHBondContact N-OG 3.45Å
122N97Very high93.5Very high50 Ų5039.7 Ų39.727%0.26721%0.209SC..Hα-helixtrans-68.4-43.5173.3-73.2-69.8000111.5S120 Q124 A125 K126 Q160S120-N122 PolarHBondContact O-N 3.39Å; N122-Q124 VanDerWaalsContact C-N 3.35Å; N122-Q124 PolarHBondContact O-N 2.94Å; N122-A125 PolarHBondContact O-N 3.24Å; N122-K126 PolarHBondContact O-N 3.24Å; N122-Q160 PolarHBondContact OD1-NE2 3.49Å
123G96.4Very high93.7Very high4 Ų441.4 Ų41.44%0.04121%0.213CC..Hα-helixtrans-59-45173.900000112.3D118 S120 A125 K126 R127D118-G123 WeakPolarHBondContact O-CA 3.38Å; D118-G123 WeakPolarHBondContact OD2-CA 3.45Å; S120-G123 PolarHBondContact O-N 2.79Å; S120-G123 VanDerWaalsContact O-N 3.1Å; S120-G123 PolarHBondContact OG-N 3.14Å; S120-G123 VanDerWaalsContact OG-N 3.1Å; G123-A125 PolarHBondContact O-N 3.37Å; G123-K126 PolarHBondContact O-N 2.97Å; G123-R127 WeakPolarHBondContact O-CG 3.26Å; G123-R127 PolarHBondContact O-N 3.29Å
124Q97.4Very high93.9Very high0 Ų040.1 Ų40.10%021%0.214CC..Hα-helixtrans-57.2-48.7172.4-71.1-84.94.900111.7P106 S120 N122 K126 R127 I128 V153P106-Q124 VanDerWaalsContact CB-OE1 3.25Å; P106-Q124 VanDerWaalsContact CG-OE1 3.27Å; P106-Q124 PolarHBondContact O-NE2 3.49Å; S120-Q124 WeakPolarHBondContact O-CB 3.27Å; S120-Q124 VanDerWaalsContact O-CG 3.27Å; S120-Q124 WeakPolarHBondContact O-CG 3.46Å; S120-Q124 PolarHBondContact O-N 2.91Å; N122-Q124 VanDerWaalsContact C-N 3.35Å; N122-Q124 PolarHBondContact O-N 2.94Å; Q124-K126 VanDerWaalsContact C-N 3.34Å; Q124-K126 PolarHBondContact O-N 2.87Å; Q124-R127 PolarHBondContact O-N 2.99Å; Q124-I128 WeakPolarHBondContact O-CG1 3.35Å; Q124-I128 PolarHBondContact O-N 3.37Å; Q124-V153 HydrophobicContact CB-CG1 4.11Å; Q124-V153 HydrophobicContact CB-CG2 3.59Å; Q124-V153 HydrophobicContact CG-CG2 4.29Å
125A98.4Very high94.5Very high0 Ų040.2 Ų40.20%021%0.211CC..Hα-helixtrans-59.7-43.6178.200000111.9I121 N122 G123 I128 H129 V153 V156I121-A125 WeakPolarHBondContact O-CB 3.44Å; I121-A125 PolarHBondContact O-N 3.11Å; N122-A125 PolarHBondContact O-N 3.24Å; G123-A125 PolarHBondContact O-N 3.37Å; A125-I128 PolarHBondContact O-N 2.84Å; A125-H129 PolarHBondContact O-N 3.02Å; A125-V153 HydrophobicContact CB-CG1 4.16Å; A125-V156 HydrophobicContact CB-CB 4.44Å; A125-V156 HydrophobicContact CB-CG1 3.94Å
126K97.6Very high95.5Very high125 Ų12541 Ų4154%0.54320%0.202SC..Hα-helixtrans-62.2-42.8175-176179.6179-179.60112.3N122 G123 Q124 H129 Q130N122-K126 PolarHBondContact O-N 3.24Å; G123-K126 PolarHBondContact O-N 2.97Å; Q124-K126 VanDerWaalsContact C-N 3.34Å; Q124-K126 PolarHBondContact O-N 2.87Å; K126-H129 WeakPolarHBondContact O-CB 3.19Å; K126-H129 PolarHBondContact O-N 3.12Å; K126-Q130 WeakPolarHBondContact O-CG 3.43Å; K126-Q130 PolarHBondContact O-N 2.92Å
127R97.2Very high96.5Very high55 Ų5534 Ų3421%0.20817%0.165CC..Hα-helixtrans-65.9-37.6176.2-71.5-56.6-168.2-176.83.9112F60 P106 D117 G123 Q124 H129 Q130 F131F60-R127 HydrophobicContact CE1-CB 4.47Å; F60-R127 WeakPolarHBondContact CE1-O 3.42Å; F60-R127 VanDerWaalsContact CZ-O 3.22Å; F60-R127 WeakPolarHBondContact CZ-O 3.37Å; P106-R127 HydrophobicContact CB-CB 4.22Å; P106-R127 HydrophobicContact CB-CG 4.45Å; P106-R127 HydrophobicContact CG-CB 3.49Å; P106-R127 VanDerWaalsContact CG-CB 3.49Å; P106-R127 HydrophobicContact CG-CG 4.23Å; D117-R127 IonicContact OD1-CZ 2.71Å; D117-R127 IonicContact OD1-NE 3.67Å; D117-R127 IonicContact OD1-NH2 3.75Å; D117-R127 PolarHBondContact OD1-NH2 3.39Å; G123-R127 WeakPolarHBondContact O-CG 3.26Å; G123-R127 PolarHBondContact O-N 3.29Å; Q124-R127 PolarHBondContact O-N 2.99Å; R127-H129 VanDerWaalsContact C-N 3.31Å; R127-Q130 PolarHBondContact O-N 3.34Å; R127-F131 PolarHBondContact O-N 3Å
128I98.5Very high97Very high0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-65.8-35.9173.3-67-53.2000111.4L75 L77 V103 M105 P106 Q124 A125 F131 V132 V153 Y157L75-I128 HydrophobicContact CD2-CG2 4.18Å; L77-I128 HydrophobicContact CD1-CG1 4.44Å; L77-I128 HydrophobicContact CD1-CG2 4.29Å; L77-I128 HydrophobicContact CD2-CD1 4.2Å; L77-I128 HydrophobicContact CD2-CG1 4.41Å; L77-I128 HydrophobicContact CD2-CG2 4.13Å; V103-I128 HydrophobicContact CG1-CD1 3.96Å; M105-I128 HydrophobicContact CE-CD1 4.13Å; M105-I128 HydrophobicContact CE-CG1 3.99Å; M105-I128 HydrophobicContact SD-CD1 3.8Å; M105-I128 HydrophobicContact SD-CG1 4.23Å; P106-I128 HydrophobicContact CG-CD1 4.29Å; Q124-I128 WeakPolarHBondContact O-CG1 3.35Å; Q124-I128 PolarHBondContact O-N 3.37Å; A125-I128 PolarHBondContact O-N 2.84Å; I128-F131 WeakPolarHBondContact O-CB 3.38Å; I128-F131 PolarHBondContact O-N 2.82Å; I128-V132 WeakPolarHBondContact O-CG2 3.5Å; I128-V132 PolarHBondContact O-N 3.36Å; I128-V153 HydrophobicContact CG1-CG1 4.18Å; I128-Y157 HydrophobicContact CB-CD2 4.32Å; I128-Y157 HydrophobicContact CB-CE2 4.46Å; I128-Y157 HydrophobicContact CG2-CD2 3.91Å; I128-Y157 HydrophobicContact CG2-CE2 3.88Å
129H98.5Very high97.2Very high25 Ų2540.1 Ų40.112%0.11618%0.184CC..Hα-helixtrans-63.1-45.6173.5-176-107000111.7A125 K126 R127 F131 V132 E133 Y157 Y161 E164A125-H129 PolarHBondContact O-N 3.02Å; K126-H129 WeakPolarHBondContact O-CB 3.19Å; K126-H129 PolarHBondContact O-N 3.12Å; R127-H129 VanDerWaalsContact C-N 3.31Å; H129-F131 VanDerWaalsContact C-N 3.3Å; H129-F131 PolarHBondContact O-N 3.15Å; H129-V132 WeakPolarHBondContact O-CA 3.3Å; H129-V132 WeakPolarHBondContact O-CB 3.11Å; H129-V132 PolarHBondContact O-N 3.36Å; H129-V132 VanDerWaalsContact O-N 3.07Å; H129-E133 VanDerWaalsContact CE1-CD 3.49Å; H129-E133 IonicContact CE1-OE1 2.8Å; H129-E133 PolarHBondContact CE1-OE1 3.29Å; H129-E133 VanDerWaalsContact CE1-OE1 3.26Å; H129-E133 WeakPolarHBondContact O-CG 3.46Å; H129-E133 PolarHBondContact O-N 3.23Å; H129-Y157 HydrophobicContact CB-CE2 3.8Å; H129-Y157 PolarHBondContact CD2-OH 3.08Å; H129-Y161 HydrophobicContact CB-CD2 4.39Å; H129-Y161 HydrophobicContact CB-CE1 4.35Å; H129-Y161 HydrophobicContact CB-CE2 3.73Å; H129-Y161 AromaticContact CD2-CD1 3.61Å; H129-Y161 AromaticContact CD2-CE1 3.55Å; H129-Y161 AromaticContact CD2-CG 3.84Å; H129-Y161 AromaticContact CD2-CZ 3.76Å; H129-Y161 AromaticContact CE1-CE1 3.72Å; H129-Y161 AromaticContact CG-CE1 3.58Å; H129-Y161 AromaticContact CG-CE2 3.83Å; H129-Y161 AromaticContact CG-CZ 3.41Å; H129-Y161 VanDerWaalsContact CG-CZ 3.41Å; H129-Y161 AromaticContact ND1-CE1 3.67Å; H129-Y161 AromaticContact ND1-CZ 3.74Å; H129-Y161 AromaticContact NE2-CD1 3.68Å; H129-Y161 AromaticContact NE2-CE1 3.64Å; H129-E164 IonicContact CD2-OE1 3.64Å; H129-E164 IonicContact CD2-OE2 3.19Å; H129-E164 IonicContact NE2-OE1 3.9Å; H129-E164 PolarHBondContact NE2-OE1 2.9Å; H129-E164 IonicContact NE2-OE2 3.26Å
130Q97.8Very high97.2Very high23 Ų2346.7 Ų46.711%0.10721%0.209CC..Hα-helixtrans-58.1-40.6172.6-70.1176.6-25.300112.8Y55 F60 K126 R127 E133 C134Y55-Q130 HydrophobicContact CD2-CB 3.82Å; Y55-Q130 HydrophobicContact CD2-CG 4.21Å; Y55-Q130 HydrophobicContact CE2-CB 4.06Å; Y55-Q130 HydrophobicContact CE2-CG 3.98Å; Y55-Q130 HydrophobicContact CG-CB 4.26Å; F60-Q130 HydrophobicContact CZ-CB 4.29Å; K126-Q130 WeakPolarHBondContact O-CG 3.43Å; K126-Q130 PolarHBondContact O-N 2.92Å; R127-Q130 PolarHBondContact O-N 3.34Å; Q130-E133 PolarHBondContact O-N 3.46Å; Q130-C134 WeakPolarHBondContact O-CB 3.43Å; Q130-C134 PolarHBondContact O-N 3.46Å
131F98.5Very high97.3Very high0 Ų048.9 Ų48.90%022%0.223CC..Hα-helixtrans-60.6-47.6173.7169.8-113.6000111.7A53 F60 Y62 L75 V101 V103 R127 I128 H129 E133 C134 I135A53-F131 HydrophobicContact CB-CD2 4.5Å; A53-F131 HydrophobicContact CB-CE2 4.39Å; F60-F131 HydrophobicContact CB-CD2 3.49Å; F60-F131 VanDerWaalsContact CB-CD2 3.49Å; F60-F131 HydrophobicContact CB-CE2 3.97Å; F60-F131 HydrophobicContact CB-CG 4.36Å; F60-F131 HydrophobicContact CD1-CB 3.74Å; F60-F131 HydrophobicContact CD1-CD2 4.08Å; F60-F131 HydrophobicContact CD1-CG 4.15Å; F60-F131 HydrophobicContact CD2-CB 4.06Å; F60-F131 HydrophobicContact CD2-CD2 4Å; F60-F131 HydrophobicContact CE1-CB 3.71Å; F60-F131 HydrophobicContact CE2-CB 4.04Å; F60-F131 HydrophobicContact CG-CB 3.91Å; F60-F131 AromaticContact CG-CD2 3.6Å; F60-F131 HydrophobicContact CG-CD2 3.6Å; F60-F131 HydrophobicContact CG-CG 4.1Å; F60-F131 HydrophobicContact CZ-CB 3.87Å; Y62-F131 AromaticContact CD1-CE2 3.5Å; Y62-F131 HydrophobicContact CD1-CE2 3.5Å; Y62-F131 AromaticContact CD1-CZ 3.83Å; Y62-F131 HydrophobicContact CD1-CZ 3.83Å; Y62-F131 HydrophobicContact CD2-CZ 4.09Å; Y62-F131 AromaticContact CE1-CE2 3.96Å; Y62-F131 HydrophobicContact CE1-CE2 3.96Å; Y62-F131 HydrophobicContact CE1-CZ 4.41Å; Y62-F131 AromaticContact CG-CE2 3.83Å; Y62-F131 HydrophobicContact CG-CE2 3.83Å; Y62-F131 AromaticContact CG-CZ 3.63Å; Y62-F131 HydrophobicContact CG-CZ 3.63Å; L75-F131 HydrophobicContact CD1-CE1 3.94Å; V101-F131 HydrophobicContact CG1-CE1 3.95Å; V101-F131 HydrophobicContact CG1-CZ 3.88Å; V103-F131 HydrophobicContact CB-CD1 4.26Å; V103-F131 HydrophobicContact CB-CE1 3.8Å; V103-F131 HydrophobicContact CB-CZ 4.14Å; V103-F131 HydrophobicContact CG1-CE1 4.49Å; V103-F131 HydrophobicContact CG2-CD1 3.93Å; V103-F131 HydrophobicContact CG2-CD2 4.31Å; V103-F131 HydrophobicContact CG2-CE1 3.78Å; V103-F131 HydrophobicContact CG2-CE2 4.18Å; V103-F131 HydrophobicContact CG2-CG 4.18Å; V103-F131 HydrophobicContact CG2-CZ 3.91Å; R127-F131 PolarHBondContact O-N 3Å; I128-F131 WeakPolarHBondContact O-CB 3.38Å; I128-F131 PolarHBondContact O-N 2.82Å; H129-F131 VanDerWaalsContact C-N 3.3Å; H129-F131 PolarHBondContact O-N 3.15Å; F131-E133 VanDerWaalsContact C-N 3.32Å; F131-E133 PolarHBondContact O-N 3.16Å; F131-C134 WeakPolarHBondContact O-CB 2.73Å; F131-C134 PolarHBondContact O-N 3.11Å; F131-I135 HydrophobicContact CD2-CG2 4.2Å; F131-I135 HydrophobicContact CE1-CD1 3.89Å; F131-I135 HydrophobicContact CE2-CD1 4.34Å; F131-I135 HydrophobicContact CE2-CG1 4.5Å; F131-I135 HydrophobicContact CE2-CG2 3.65Å; F131-I135 HydrophobicContact CZ-CD1 3.73Å; F131-I135 HydrophobicContact CZ-CG1 4.33Å; F131-I135 HydrophobicContact CZ-CG2 4.12Å; F131-I135 WeakPolarHBondContact O-CG1 3.19Å; F131-I135 PolarHBondContact O-N 3.2Å
132V98.4Very high97.3Very high0 Ų049 Ų490%022%0.223CC..Hα-helixtrans-57.5-43.6177.8158.80000111.5L75 I128 H129 K136 L137 N138 F142 Y157L75-V132 HydrophobicContact CD2-CG2 3.63Å; I128-V132 WeakPolarHBondContact O-CG2 3.5Å; I128-V132 PolarHBondContact O-N 3.36Å; H129-V132 WeakPolarHBondContact O-CA 3.3Å; H129-V132 WeakPolarHBondContact O-CB 3.11Å; H129-V132 PolarHBondContact O-N 3.36Å; H129-V132 VanDerWaalsContact O-N 3.07Å; V132-K136 PolarHBondContact O-N 3.28Å; V132-L137 HydrophobicContact CG1-CB 4.15Å; V132-L137 HydrophobicContact CG2-CD2 4.35Å; V132-L137 PolarHBondContact O-N 3.3Å; V132-N138 HydrophobicContact CG1-CB 3.6Å; V132-F142 HydrophobicContact CG1-CE1 3.89Å; V132-F142 HydrophobicContact CG1-CZ 4.21Å; V132-F142 HydrophobicContact CG2-CE1 4.38Å; V132-F142 HydrophobicContact CG2-CZ 3.94Å; V132-Y157 WeakPolarHBondContact CG1-OH 3.35Å
133E97.6Very high97.4Very high80 Ų8047 Ų4737%0.37421%0.212SC..Hα-helixtrans-63.3-46.5175-69.7-175.6139.100111.8H129 Q130 F131 I135 K136H129-E133 VanDerWaalsContact CE1-CD 3.49Å; H129-E133 IonicContact CE1-OE1 2.8Å; H129-E133 PolarHBondContact CE1-OE1 3.29Å; H129-E133 VanDerWaalsContact CE1-OE1 3.26Å; H129-E133 WeakPolarHBondContact O-CG 3.46Å; H129-E133 PolarHBondContact O-N 3.23Å; Q130-E133 PolarHBondContact O-N 3.46Å; F131-E133 VanDerWaalsContact C-N 3.32Å; F131-E133 PolarHBondContact O-N 3.16Å; E133-I135 VanDerWaalsContact C-N 3.34Å; E133-I135 PolarHBondContact O-N 3.16Å; E133-K136 WeakPolarHBondContact O-CA 3.47Å; E133-K136 PolarHBondContact O-N 3.25Å
134C96.9Very high97.5Very high41 Ų4146.9 Ų46.928%0.27721%0.21SC..Hα-helixtrans-56.3-45178.7-90.70000113.1A53 N54 Y55 Q130 F131 K136A53-C134 HydrophobicContact CB-CB 4.27Å; N54-C134 PolarHBondContact O-SG 3.2Å; Y55-C134 VanDerWaalsContact CB-SG 3.54Å; Y55-C134 WeakPolarHBondContact CD2-SG 3.38Å; Q130-C134 WeakPolarHBondContact O-CB 3.43Å; Q130-C134 PolarHBondContact O-N 3.46Å; F131-C134 WeakPolarHBondContact O-CB 2.73Å; F131-C134 PolarHBondContact O-N 3.11Å; C134-K136 VanDerWaalsContact C-N 3.27Å
135I97.2Very high97.6Very high41 Ų4147 Ų4721%0.2121%0.211CC..THydrogen-bonded Turntrans-87.41.1178.668159.6000112.9A53 Y62 V101 F131 E133 L137A53-I135 HydrophobicContact CB-CG2 3.77Å; Y62-I135 HydrophobicContact CE1-CG2 4.05Å; V101-I135 HydrophobicContact CG1-CD1 3.99Å; V101-I135 HydrophobicContact CG2-CD1 4.4Å; F131-I135 HydrophobicContact CD2-CG2 4.2Å; F131-I135 HydrophobicContact CE1-CD1 3.89Å; F131-I135 HydrophobicContact CE2-CD1 4.34Å; F131-I135 HydrophobicContact CE2-CG1 4.5Å; F131-I135 HydrophobicContact CE2-CG2 3.65Å; F131-I135 HydrophobicContact CZ-CD1 3.73Å; F131-I135 HydrophobicContact CZ-CG1 4.33Å; F131-I135 HydrophobicContact CZ-CG2 4.12Å; F131-I135 WeakPolarHBondContact O-CG1 3.19Å; F131-I135 PolarHBondContact O-N 3.2Å; E133-I135 VanDerWaalsContact C-N 3.34Å; E133-I135 PolarHBondContact O-N 3.16Å; I135-L137 HydrophobicContact CD1-CB 3.88Å; I135-L137 HydrophobicContact CD1-CD1 4.35Å; I135-L137 HydrophobicContact CD1-CD2 4.31Å; I135-L137 HydrophobicContact CD1-CG 4.43Å; I135-L137 HydrophobicContact CG1-CB 3.9Å; I135-L137 PolarHBondContact O-N 2.61Å
136K96.7Very high97.6Very high119 Ų11947 Ų4752%0.51721%0.211SC..THydrogen-bonded Turntrans55.936.3-179.9-52.3-176.4-177.8-179.90112.8V132 E133 C134 N138 R139V132-K136 PolarHBondContact O-N 3.28Å; E133-K136 WeakPolarHBondContact O-CA 3.47Å; E133-K136 PolarHBondContact O-N 3.25Å; C134-K136 VanDerWaalsContact C-N 3.27Å; K136-N138 VanDerWaalsContact C-N 3.33Å; K136-R139 HydrophobicContact CB-CG 4.14Å; K136-R139 WeakPolarHBondContact O-CG 3.34Å; K136-R139 PolarHBondContact O-N 2.74Å
137L97.3Very high97.7Very high11 Ų1141.4 Ų41.46%0.05819%0.188CC..G310 helixtrans-70.5-32.8-178.9-166.571.1000111.3S73 L75 V101 V132 I135 R139 R140 F142S73-L137 VanDerWaalsContact CB-CD1 3.48Å; L75-L137 HydrophobicContact CB-CD2 3.91Å; L75-L137 HydrophobicContact CD2-CD2 4.2Å; L75-L137 HydrophobicContact CG-CD2 4.48Å; V101-L137 HydrophobicContact CG2-CD1 4.32Å; V132-L137 HydrophobicContact CG1-CB 4.15Å; V132-L137 HydrophobicContact CG2-CD2 4.35Å; V132-L137 PolarHBondContact O-N 3.3Å; I135-L137 HydrophobicContact CD1-CB 3.88Å; I135-L137 HydrophobicContact CD1-CD1 4.35Å; I135-L137 HydrophobicContact CD1-CD2 4.31Å; I135-L137 HydrophobicContact CD1-CG 4.43Å; I135-L137 HydrophobicContact CG1-CB 3.9Å; I135-L137 PolarHBondContact O-N 2.61Å; L137-R139 PolarHBondContact O-N 2.94Å; L137-R140 VanDerWaalsContact O-O 3.07Å; L137-F142 HydrophobicContact CD2-CB 4.48Å; L137-F142 HydrophobicContact CD2-CD1 4.07Å; L137-F142 HydrophobicContact CD2-CD2 4.01Å; L137-F142 HydrophobicContact CD2-CE1 4.3Å; L137-F142 HydrophobicContact CD2-CE2 4.24Å; L137-F142 HydrophobicContact CD2-CG 3.92Å; L137-F142 HydrophobicContact CD2-CZ 4.38Å; L137-F142 HydrophobicContact CG-CB 4.4Å; L137-F142 HydrophobicContact CG-CD1 3.98Å; L137-F142 HydrophobicContact CG-CE1 4.45Å; L137-F142 HydrophobicContact CG-CG 4.11Å
138N96.5Very high97.7Very high50 Ų5039.7 Ų39.727%0.26718%0.184SC..G310 helixtrans-75.76.6178.664.6-14.9000115V132 K136 R140 F142 E164V132-N138 HydrophobicContact CG1-CB 3.6Å; K136-N138 VanDerWaalsContact C-N 3.33Å; N138-R140 PolarHBondContact O-N 3.13Å; N138-R140 VanDerWaalsContact O-N 3.13Å; N138-F142 HydrophobicContact CB-CE1 4.5Å; N138-E164 VanDerWaalsContact CB-CD 3.43Å; N138-E164 HydrophobicContact CB-CG 4.02Å; N138-E164 WeakPolarHBondContact CB-OE1 3.42Å; N138-E164 PolarHBondContact ND2-OE1 3.13Å
139R95.2Very high97.7Very high191 Ų19139.8 Ų39.872%0.72118%0.184SC*.G310 helixtrans-57.7-24.1168.7-78.6-179.4166-175.4-6.3112.9K136 L137K136-R139 HydrophobicContact CB-CG 4.14Å; K136-R139 WeakPolarHBondContact O-CG 3.34Å; K136-R139 PolarHBondContact O-N 2.74Å; L137-R139 PolarHBondContact O-N 2.94Å
140R95.2Very high97.8Very high151 Ų15138.6 Ų38.657%0.5718%0.179SC*.SBendtrans-141154.3169.6-64.8-176.4178.9178.9-3.9107.7G69 L137 N138G69-R140 PolarHBondContact O-NH1 3.46Å; L137-R140 VanDerWaalsContact O-O 3.07Å; N138-R140 PolarHBondContact O-N 3.13Å; N138-R140 VanDerWaalsContact O-N 3.13Å
141P97.4Very high97.8Very high61 Ų6137.5 Ų37.540%0.39617%0.174SC..  trans-55.7146.9170.5-24.935.6000111.3E164 C166P141-E164 CarbonylContact C-O 3.54Å; P141-E164 WeakPolarHBondContact CA-O 3.32Å; P141-C166 VanDerWaalsContact CB-SG 3.5Å; P141-C166 PolarHBondContact O-SG 3.2Å; P141-C166 VanDerWaalsContact O-SG 3.39Å
142F98.6Very high97.8Very high1 Ų137.5 Ų37.50%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-133.9162.4-176.660.7-93.4000111.9S73 L75 V132 L137 N138 L144 Y157 E164 I165 C166S73-F142 WeakPolarHBondContact O-CB 3.39Å; L75-F142 HydrophobicContact CB-CD2 4.01Å; L75-F142 HydrophobicContact CB-CE2 4Å; L75-F142 HydrophobicContact CD2-CE2 3.95Å; L75-F142 HydrophobicContact CD2-CZ 4.39Å; V132-F142 HydrophobicContact CG1-CE1 3.89Å; V132-F142 HydrophobicContact CG1-CZ 4.21Å; V132-F142 HydrophobicContact CG2-CE1 4.38Å; V132-F142 HydrophobicContact CG2-CZ 3.94Å; L137-F142 HydrophobicContact CD2-CB 4.48Å; L137-F142 HydrophobicContact CD2-CD1 4.07Å; L137-F142 HydrophobicContact CD2-CD2 4.01Å; L137-F142 HydrophobicContact CD2-CE1 4.3Å; L137-F142 HydrophobicContact CD2-CE2 4.24Å; L137-F142 HydrophobicContact CD2-CG 3.92Å; L137-F142 HydrophobicContact CD2-CZ 4.38Å; L137-F142 HydrophobicContact CG-CB 4.4Å; L137-F142 HydrophobicContact CG-CD1 3.98Å; L137-F142 HydrophobicContact CG-CE1 4.45Å; L137-F142 HydrophobicContact CG-CG 4.11Å; N138-F142 HydrophobicContact CB-CE1 4.5Å; F142-L144 HydrophobicContact CE2-CB 4.26Å; F142-L144 HydrophobicContact CE2-CD1 4.35Å; F142-Y157 AromaticContact CZ-CE1 3.94Å; F142-Y157 HydrophobicContact CZ-CE1 3.94Å; F142-E164 WeakPolarHBondContact CD1-O 3.34Å; F142-E164 HydrophobicContact CE1-CB 3.99Å; F142-E164 PolarHBondContact N-O 2.86Å; F142-I165 HydrophobicContact CD2-CD1 4.22Å; F142-I165 HydrophobicContact CE1-CD1 4.38Å; F142-I165 HydrophobicContact CE2-CD1 3.62Å; F142-I165 HydrophobicContact CZ-CD1 3.71Å; F142-I165 CarbonylContact O-C 3.5Å; F142-I165 WeakPolarHBondContact O-CA 3.34Å; F142-C166 PolarHBondContact O-N 3.39Å
143H98.7Very high97.8Very high10 Ų1037.5 Ų37.55%0.04617%0.174CC..EExtended strand (participates in β ladder)trans-83.8131.3173.3-54.8-64.1000109.7S73 I74 L75 C166 S167 L325S73-H143 PolarHBondContact O-N 2.81Å; I74-H143 CarbonylContact C-O 3.59Å; I74-H143 WeakPolarHBondContact CA-O 3.35Å; I74-H143 HydrophobicContact CG1-CB 4.16Å; I74-H143 HydrophobicContact CG2-CB 4.36Å; L75-H143 PolarHBondContact N-O 3.12Å; H143-C166 WeakPolarHBondContact ND1-CB 3.29Å; H143-S167 WeakPolarHBondContact CA-O 3.18Å; H143-S167 PolarHBondContact ND1-OG 3.41Å; H143-L325 HydrophobicContact CB-CD2 4.46Å; H143-L325 VanDerWaalsContact CE1-CD2 3.41Å; H143-L325 WeakPolarHBondContact CE1-CD2 3.33Å; H143-L325 WeakPolarHBondContact ND1-CD2 3.44Å
144L98.9Very high97.9Very high0 Ų033.7 Ų33.70%016%0.156CC..EExtended strand (participates in β ladder)trans-111.3127.2178.4-176.858.2000110.2L75 L77 F142 A154 Y157 I165 S167 L168 T169L75-L144 HydrophobicContact CB-CD1 4.02Å; L75-L144 HydrophobicContact CD2-CD1 3.93Å; L75-L144 HydrophobicContact CG-CD1 3.89Å; L77-L144 HydrophobicContact CD1-CD1 3.99Å; L77-L144 HydrophobicContact CD2-CD1 4.42Å; L77-L144 HydrophobicContact CG-CD1 3.91Å; F142-L144 HydrophobicContact CE2-CB 4.26Å; F142-L144 HydrophobicContact CE2-CD1 4.35Å; L144-A154 HydrophobicContact CD1-CB 4.5Å; L144-A154 HydrophobicContact CD2-CB 3.9Å; L144-A154 WeakPolarHBondContact CD2-O 3.18Å; L144-A154 HydrophobicContact CG-CB 3.88Å; L144-Y157 HydrophobicContact CD2-CD1 3.78Å; L144-Y157 HydrophobicContact CD2-CG 3.99Å; L144-I165 HydrophobicContact CB-CD1 3.96Å; L144-I165 HydrophobicContact CD2-CD1 4.02Å; L144-S167 PolarHBondContact N-O 3.26Å; L144-L168 HydrophobicContact CB-CD1 4.2Å; L144-L168 HydrophobicContact CD2-CD1 4.26Å; L144-L168 HydrophobicContact CG-CD1 4.17Å; L144-L168 CarbonylContact O-C 3.56Å; L144-L168 WeakPolarHBondContact O-CA 3.12Å; L144-T169 PolarHBondContact O-N 3Å
145V98.9Very high98Very high2 Ų231.8 Ų31.81%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-122.3127.9-179.6-175.20000108.2I74 L75 M76 L77 W87 T169 I171 M321I74-V145 HydrophobicContact CG2-CG2 3.62Å; L75-V145 PolarHBondContact O-N 2.92Å; M76-V145 CarbonylContact C-O 3.54Å; M76-V145 VanDerWaalsContact CA-O 3.3Å; M76-V145 WeakPolarHBondContact CA-O 3.47Å; M76-V145 HydrophobicContact CG-CB 4.2Å; L77-V145 PolarHBondContact N-O 2.89Å; W87-V145 HydrophobicContact CH2-CG1 3.86Å; W87-V145 HydrophobicContact CZ3-CG1 4.2Å; V145-T169 CarbonylContact C-O 3.53Å; V145-T169 WeakPolarHBondContact CA-O 3.26Å; V145-T169 HydrophobicContact CG1-CG2 4.24Å; V145-I171 HydrophobicContact CG1-CD1 4.1Å; V145-M321 HydrophobicContact CG1-CE 4.24Å; V145-M321 HydrophobicContact CG2-CE 3.77Å
146G98.8Very high98.1Very high0 Ų029.8 Ų29.80%013%0.133CC..EExtended strand (participates in β ladder)trans-136.4144.317800000111.6L77 G151 T169 I171L77-G146 WeakPolarHBondContact O-CA 3.39Å; G146-G151 VanDerWaalsContact C-CA 3.48Å; G146-T169 PolarHBondContact N-O 3.4Å; G146-I171 PolarHBondContact O-N 3.4Å
147T98.7Very high98.2Very high9 Ų924.1 Ų24.16%0.05511%0.108CC..EExtended strand (participates in β ladder)trans-123.8141.9172.2-171.20000112.6L77 G79 M86 W87 M149 G150 G151 I171L77-T147 PolarHBondContact O-N 3.01Å; L77-T147 VanDerWaalsContact O-N 3.14Å; G79-T147 WeakPolarHBondContact CA-O 3.29Å; G79-T147 PolarHBondContact N-O 3.14Å; M86-T147 HydrophobicContact CE-CG2 3.41Å; M86-T147 VanDerWaalsContact CE-CG2 3.41Å; M86-T147 HydrophobicContact SD-CG2 4.24Å; W87-T147 HydrophobicContact CH2-CG2 4Å; W87-T147 HydrophobicContact CZ2-CG2 4.08Å; T147-M149 PolarHBondContact O-N 3.44Å; T147-G150 WeakPolarHBondContact O-CA 3.3Å; T147-G150 PolarHBondContact O-N 3.48Å; T147-G151 VanDerWaalsContact C-N 3.34Å; T147-G151 PolarHBondContact O-N 3.48Å; T147-I171 CarbonylContact C-O 3.56Å; T147-I171 WeakPolarHBondContact CA-O 3.49Å; T147-I171 WeakPolarHBondContact CB-O 3.33Å; T147-I171 PolarHBondContact OG1-O 3.23Å
148S98.3Very high98.2Very high18 Ų1823.6 Ų23.613%0.12611%0.105CC..THydrogen-bonded Turntrans53.6-124.9178.4-169.60000111.5G150 G151 N152 I171 C172 A174 H307S148-G150 VanDerWaalsContact C-N 3.3Å; S148-G150 PolarHBondContact O-N 3.38Å; S148-G151 WeakPolarHBondContact O-CA 3.34Å; S148-G151 PolarHBondContact O-N 2.91Å; S148-N152 PolarHBondContact O-N 3.02Å; S148-I171 PolarHBondContact N-O 3.41Å; S148-I171 VanDerWaalsContact N-O 3.07Å; S148-C172 WeakPolarHBondContact CA-O 3.33Å; S148-C172 PolarHBondContact N-O 3.29Å; S148-A174 PolarHBondContact O-N 3.36Å; S148-H307 VanDerWaalsContact CB-NE2 3.25Å; S148-H307 WeakPolarHBondContact CB-NE2 3.37Å; S148-H307 PolarHBondContact OG-CE1 3.36Å; S148-H307 PolarHBondContact OG-NE2 3.47Å
149M98.6Very high98.3Very high2 Ų221.8 Ų21.81%0.0110%0.097CC..Hα-helixtrans-50.1-45.7170.3-177.3-158.782.300112.9F80 M105 I121 T147 G151 N152 V153 I251F80-M149 HydrophobicContact CB-CB 3.95Å; F80-M149 HydrophobicContact CB-CG 4.45Å; F80-M149 HydrophobicContact CB-SD 3.9Å; F80-M149 HydrophobicContact CD2-SD 4.21Å; M105-M149 HydrophobicContact CB-CE 4.01Å; M105-M149 HydrophobicContact CE-CE 4.2Å; M105-M149 HydrophobicContact CG-CE 4.01Å; I121-M149 HydrophobicContact CD1-CG 4.27Å; T147-M149 PolarHBondContact O-N 3.44Å; M149-G151 PolarHBondContact O-N 3.42Å; M149-N152 VanDerWaalsContact O-CB 3.31Å; M149-N152 WeakPolarHBondContact O-CB 3.39Å; M149-N152 PolarHBondContact O-N 2.81Å; M149-N152 VanDerWaalsContact O-N 3.11Å; M149-V153 WeakPolarHBondContact O-CG2 3.12Å; M149-V153 PolarHBondContact O-N 3.02Å; M149-I251 HydrophobicContact CG-CD1 3.84Å; M149-I251 HydrophobicContact CG-CG1 4.34Å; M149-I251 HydrophobicContact CG-CG2 4.46Å; M149-I251 HydrophobicContact SD-CD1 3.27Å; M149-I251 WeakPolarHBondContact SD-CD1 3.31Å; M149-I251 HydrophobicContact SD-CG1 4.24Å
150G98.8Very high98.5Very high0 Ų016.1 Ų16.10%08%0.079CC..Hα-helixtrans-64.8-25.7176.200000113H78 T147 S148 A154H78-G150 VanDerWaalsContact O-CA 3.3Å; H78-G150 WeakPolarHBondContact O-CA 3.32Å; H78-G150 PolarHBondContact O-N 3.27Å; T147-G150 WeakPolarHBondContact O-CA 3.3Å; T147-G150 PolarHBondContact O-N 3.48Å; S148-G150 VanDerWaalsContact C-N 3.3Å; S148-G150 PolarHBondContact O-N 3.38Å; G150-A154 WeakPolarHBondContact O-CB 3.17Å; G150-A154 PolarHBondContact O-N 3.28Å
151G98.8Very high98.6Very high0 Ų011.6 Ų11.60%06%0.062CC..Hα-helixtrans-71-39.7170.700000112.7G146 T147 S148 M149 A154 G155 L170G146-G151 VanDerWaalsContact C-CA 3.48Å; T147-G151 VanDerWaalsContact C-N 3.34Å; T147-G151 PolarHBondContact O-N 3.48Å; S148-G151 WeakPolarHBondContact O-CA 3.34Å; S148-G151 PolarHBondContact O-N 2.91Å; M149-G151 PolarHBondContact O-N 3.42Å; G151-A154 PolarHBondContact O-N 2.9Å; G151-G155 PolarHBondContact O-N 3.09Å; G151-L170 VanDerWaalsContact O-CD2 3.29Å; G151-L170 WeakPolarHBondContact O-CD2 3.25Å
152N98.7Very high98.7Very high1 Ų110 Ų101%0.0055%0.052CC..Hα-helixtrans-59.5-52.6172.4-169.51.1000110.4I121 S148 M149 A154 G155 V156 A174 G175 S256 L260I121-N152 HydrophobicContact CD1-CB 4.22Å; I121-N152 WeakPolarHBondContact CD1-ND2 3.43Å; I121-N152 WeakPolarHBondContact CG1-ND2 3.31Å; I121-N152 HydrophobicContact CG2-CB 4.44Å; S148-N152 PolarHBondContact O-N 3.02Å; M149-N152 VanDerWaalsContact O-CB 3.31Å; M149-N152 WeakPolarHBondContact O-CB 3.39Å; M149-N152 PolarHBondContact O-N 2.81Å; M149-N152 VanDerWaalsContact O-N 3.11Å; N152-A154 VanDerWaalsContact C-N 3.33Å; N152-A154 PolarHBondContact O-N 2.98Å; N152-G155 PolarHBondContact O-N 2.92Å; N152-V156 WeakPolarHBondContact O-CG2 3.49Å; N152-V156 PolarHBondContact O-N 2.96Å; N152-A174 HydrophobicContact CB-CB 4.2Å; N152-A174 WeakPolarHBondContact CB-O 3.31Å; N152-G175 VanDerWaalsContact ND2-CA 3.28Å; N152-G175 WeakPolarHBondContact ND2-CA 3.43Å; N152-S256 PolarHBondContact ND2-O 3.49Å; N152-L260 VanDerWaalsContact OD1-CB 3.26Å; N152-L260 WeakPolarHBondContact OD1-CB 3.31Å; N152-L260 PolarHBondContact OD1-N 3.37Å
153V98.9Very high98.6Very high0 Ų016.4 Ų16.40%09%0.086CC..Hα-helixtrans-59.5-43.1176.5179.30000111.5L77 M105 I121 Q124 A125 I128 M149 G155 V156 Y157L77-V153 HydrophobicContact CD1-CB 4.36Å; L77-V153 HydrophobicContact CD1-CG1 4.04Å; M105-V153 HydrophobicContact CE-CB 3.98Å; M105-V153 HydrophobicContact CE-CG1 3.89Å; M105-V153 HydrophobicContact CE-CG2 3.92Å; I121-V153 HydrophobicContact CD1-CG2 3.98Å; I121-V153 HydrophobicContact CG2-CG2 4.19Å; Q124-V153 HydrophobicContact CB-CG1 4.11Å; Q124-V153 HydrophobicContact CB-CG2 3.59Å; Q124-V153 HydrophobicContact CG-CG2 4.29Å; A125-V153 HydrophobicContact CB-CG1 4.16Å; I128-V153 HydrophobicContact CG1-CG1 4.18Å; M149-V153 WeakPolarHBondContact O-CG2 3.12Å; M149-V153 PolarHBondContact O-N 3.02Å; V153-G155 PolarHBondContact O-N 3.34Å; V153-V156 PolarHBondContact O-N 2.91Å; V153-Y157 VanDerWaalsContact O-CB 3.29Å; V153-Y157 WeakPolarHBondContact O-CB 3.4Å; V153-Y157 PolarHBondContact O-N 3.43Å
154A98.9Very high98.6Very high0 Ų017.4 Ų17.40%09%0.091CC..Hα-helixtrans-61.7-41.7179.600000112.9L77 L144 G150 G151 N152 A158 L168 L170L77-A154 HydrophobicContact CD1-CB 4.08Å; L144-A154 HydrophobicContact CD1-CB 4.5Å; L144-A154 HydrophobicContact CD2-CB 3.9Å; L144-A154 WeakPolarHBondContact CD2-O 3.18Å; L144-A154 HydrophobicContact CG-CB 3.88Å; G150-A154 WeakPolarHBondContact O-CB 3.17Å; G150-A154 PolarHBondContact O-N 3.28Å; G151-A154 PolarHBondContact O-N 2.9Å; N152-A154 VanDerWaalsContact C-N 3.33Å; N152-A154 PolarHBondContact O-N 2.98Å; A154-A158 WeakPolarHBondContact O-CB 3.45Å; A154-A158 PolarHBondContact O-N 3.17Å; A154-L168 HydrophobicContact CB-CD1 3.89Å; A154-L170 HydrophobicContact CB-CD2 4.19Å
155G98.8Very high98.6Very high0 Ų017.9 Ų17.90%09%0.094CC..Hα-helixtrans-71.6-38.417800000112.9G151 N152 V153 A158 A159G151-G155 PolarHBondContact O-N 3.09Å; N152-G155 PolarHBondContact O-N 2.92Å; V153-G155 PolarHBondContact O-N 3.34Å; G155-A158 PolarHBondContact O-N 3.46Å; G155-A159 WeakPolarHBondContact O-CB 3.36Å; G155-A159 PolarHBondContact O-N 2.89Å
156V98.8Very high98.5Very high0 Ų019.2 Ų19.20%010%0.103CC..Hα-helixtrans-63.1-43.7172.4173.90000110.8I121 A125 N152 V153 A158 A159 Q160 H263I121-V156 HydrophobicContact CG2-CB 4.32Å; I121-V156 HydrophobicContact CG2-CG2 3.82Å; A125-V156 HydrophobicContact CB-CB 4.44Å; A125-V156 HydrophobicContact CB-CG1 3.94Å; N152-V156 WeakPolarHBondContact O-CG2 3.49Å; N152-V156 PolarHBondContact O-N 2.96Å; V153-V156 PolarHBondContact O-N 2.91Å; V156-A158 PolarHBondContact O-N 3.05Å; V156-A159 WeakPolarHBondContact O-CB 3.47Å; V156-A159 PolarHBondContact O-N 2.8Å; V156-Q160 HydrophobicContact CG1-CG 4.45Å; V156-Q160 WeakPolarHBondContact O-CG 3.36Å; V156-Q160 PolarHBondContact O-N 2.82Å; V156-H263 HydrophobicContact CG2-CB 4.28Å
157Y98.9Very high98.5Very high0 Ų019.3 Ų19.30%010%0.103CC..Hα-helixtrans-56.8-50.6173.7-173-71.5000111.4I128 H129 V132 F142 L144 V153 A159 Q160 Y161 E164 I165I128-Y157 HydrophobicContact CB-CD2 4.32Å; I128-Y157 HydrophobicContact CB-CE2 4.46Å; I128-Y157 HydrophobicContact CG2-CD2 3.91Å; I128-Y157 HydrophobicContact CG2-CE2 3.88Å; H129-Y157 HydrophobicContact CB-CE2 3.8Å; H129-Y157 PolarHBondContact CD2-OH 3.08Å; V132-Y157 WeakPolarHBondContact CG1-OH 3.35Å; F142-Y157 AromaticContact CZ-CE1 3.94Å; F142-Y157 HydrophobicContact CZ-CE1 3.94Å; L144-Y157 HydrophobicContact CD2-CD1 3.78Å; L144-Y157 HydrophobicContact CD2-CG 3.99Å; V153-Y157 VanDerWaalsContact O-CB 3.29Å; V153-Y157 WeakPolarHBondContact O-CB 3.4Å; V153-Y157 PolarHBondContact O-N 3.43Å; Y157-A159 PolarHBondContact O-N 2.67Å; Y157-Q160 PolarHBondContact O-N 3.09Å; Y157-Q160 VanDerWaalsContact O-N 3.09Å; Y157-Y161 HydrophobicContact CD1-CD2 4Å; Y157-Y161 AromaticContact CD2-CD2 3.95Å; Y157-Y161 HydrophobicContact CD2-CD2 3.95Å; Y157-Y161 HydrophobicContact CD2-CE2 4.27Å; Y157-Y161 AromaticContact CE1-CD2 3.99Å; Y157-Y161 HydrophobicContact CE1-CD2 3.99Å; Y157-Y161 HydrophobicContact CE1-CG 4.26Å; Y157-Y161 AromaticContact CE2-CD2 4Å; Y157-Y161 HydrophobicContact CE2-CD2 4Å; Y157-Y161 HydrophobicContact CE2-CE2 4.37Å; Y157-Y161 AromaticContact CG-CD2 3.96Å; Y157-Y161 HydrophobicContact CG-CD2 3.96Å; Y157-Y161 AromaticContact CZ-CD2 4Å; Y157-Y161 WeakPolarHBondContact O-CD2 3.42Å; Y157-Y161 PolarHBondContact O-N 3.03Å; Y157-E164 PolarHBondContact OH-OE2 2.85Å; Y157-I165 HydrophobicContact CD1-CD1 3.84Å; Y157-I165 HydrophobicContact CD1-CG1 4.23Å; Y157-I165 HydrophobicContact CE1-CD1 3.66Å; Y157-I165 HydrophobicContact CE1-CG1 4.28Å
158A98.8Very high98.5Very high0 Ų018.9 Ų18.90%010%0.1CC..Hα-helixtrans-64-27.2-178.600000113.3A154 G155 V156 P162 I165 L168 I267A154-A158 WeakPolarHBondContact O-CB 3.45Å; A154-A158 PolarHBondContact O-N 3.17Å; G155-A158 PolarHBondContact O-N 3.46Å; V156-A158 PolarHBondContact O-N 3.05Å; A158-P162 WeakPolarHBondContact O-CA 3.27Å; A158-I165 HydrophobicContact CB-CG1 4.21Å; A158-L168 HydrophobicContact CB-CD1 4.23Å; A158-L168 HydrophobicContact CB-CD2 3.93Å; A158-I267 HydrophobicContact CB-CG2 4.41Å
159A98.4Very high98.5Very high12 Ų1218.2 Ų18.210%0.09910%0.096CC..Hα-helixtrans-75.8-35.4172.800000113G155 V156 Y157 H263 K266 I267G155-A159 WeakPolarHBondContact O-CB 3.36Å; G155-A159 PolarHBondContact O-N 2.89Å; V156-A159 WeakPolarHBondContact O-CB 3.47Å; V156-A159 PolarHBondContact O-N 2.8Å; Y157-A159 PolarHBondContact O-N 2.67Å; A159-H263 HydrophobicContact CB-CB 3.78Å; A159-H263 WeakPolarHBondContact CB-O 3.48Å; A159-K266 HydrophobicContact CB-CB 3.94Å; A159-I267 HydrophobicContact CB-CG1 4.05Å
160Q98.6Very high98.5Very high71 Ų7118.1 Ų18.133%0.33210%0.095SC..Hα-helixtrans-84.4-34.2-177.4-70.4178.12.100113N122 V156 Y157 P162N122-Q160 PolarHBondContact OD1-NE2 3.49Å; V156-Q160 HydrophobicContact CG1-CG 4.45Å; V156-Q160 WeakPolarHBondContact O-CG 3.36Å; V156-Q160 PolarHBondContact O-N 2.82Å; Y157-Q160 PolarHBondContact O-N 3.09Å; Y157-Q160 VanDerWaalsContact O-N 3.09Å; Q160-P162 WeakPolarHBondContact O-CD 3.31Å
161Y98.5Very high98.6Very high56 Ų5618.1 Ų18.122%0.2210%0.095CC..  trans-124.356.7-176.3-50.2-77.4000111.4H129 Y157 D163 E164H129-Y161 HydrophobicContact CB-CD2 4.39Å; H129-Y161 HydrophobicContact CB-CE1 4.35Å; H129-Y161 HydrophobicContact CB-CE2 3.73Å; H129-Y161 AromaticContact CD2-CD1 3.61Å; H129-Y161 AromaticContact CD2-CE1 3.55Å; H129-Y161 AromaticContact CD2-CG 3.84Å; H129-Y161 AromaticContact CD2-CZ 3.76Å; H129-Y161 AromaticContact CE1-CE1 3.72Å; H129-Y161 AromaticContact CG-CE1 3.58Å; H129-Y161 AromaticContact CG-CE2 3.83Å; H129-Y161 AromaticContact CG-CZ 3.41Å; H129-Y161 VanDerWaalsContact CG-CZ 3.41Å; H129-Y161 AromaticContact ND1-CE1 3.67Å; H129-Y161 AromaticContact ND1-CZ 3.74Å; H129-Y161 AromaticContact NE2-CD1 3.68Å; H129-Y161 AromaticContact NE2-CE1 3.64Å; Y157-Y161 HydrophobicContact CD1-CD2 4Å; Y157-Y161 AromaticContact CD2-CD2 3.95Å; Y157-Y161 HydrophobicContact CD2-CD2 3.95Å; Y157-Y161 HydrophobicContact CD2-CE2 4.27Å; Y157-Y161 AromaticContact CE1-CD2 3.99Å; Y157-Y161 HydrophobicContact CE1-CD2 3.99Å; Y157-Y161 HydrophobicContact CE1-CG 4.26Å; Y157-Y161 AromaticContact CE2-CD2 4Å; Y157-Y161 HydrophobicContact CE2-CD2 4Å; Y157-Y161 HydrophobicContact CE2-CE2 4.37Å; Y157-Y161 AromaticContact CG-CD2 3.96Å; Y157-Y161 HydrophobicContact CG-CD2 3.96Å; Y157-Y161 AromaticContact CZ-CD2 4Å; Y157-Y161 WeakPolarHBondContact O-CD2 3.42Å; Y157-Y161 PolarHBondContact O-N 3.03Å; Y161-D163 PolarHBondContact O-N 3.21Å; Y161-E164 PolarHBondContact O-N 3.07Å; Y161-E164 VanDerWaalsContact O-N 3.17Å
162P97.8Very high98.5Very high28 Ų2818.1 Ų18.118%0.18210%0.095CC..G310 helixtrans-62.2-30-170.525.6-35.5000113.4A158 Q160 E164 I165 K268A158-P162 WeakPolarHBondContact O-CA 3.27Å; Q160-P162 WeakPolarHBondContact O-CD 3.31Å; P162-E164 PolarHBondContact O-N 2.82Å; P162-I165 PolarHBondContact O-N 2.97Å; P162-K268 HydrophobicContact CB-CB 4.31Å; P162-K268 HydrophobicContact CB-CD 4.04Å; P162-K268 HydrophobicContact CB-CG 4.29Å; P162-K268 HydrophobicContact CG-CD 4.43Å
163D98.1Very high98.5Very high136 Ų13618.1 Ų18.173%0.72710%0.095SC*.G310 helixtrans-73.6-14.2-176.8-58.2-30.7000112.9Y161Y161-D163 PolarHBondContact O-N 3.21Å
164E98.4Very high98.5Very high30 Ų3018.9 Ų18.914%0.1410%0.102CC..G310 helixtrans-91-7.4177.6-59.7-170.2168.600113.1H129 N138 P141 F142 Y157 Y161 P162H129-E164 IonicContact CD2-OE1 3.64Å; H129-E164 IonicContact CD2-OE2 3.19Å; H129-E164 IonicContact NE2-OE1 3.9Å; H129-E164 PolarHBondContact NE2-OE1 2.9Å; H129-E164 IonicContact NE2-OE2 3.26Å; N138-E164 VanDerWaalsContact CB-CD 3.43Å; N138-E164 HydrophobicContact CB-CG 4.02Å; N138-E164 WeakPolarHBondContact CB-OE1 3.42Å; N138-E164 PolarHBondContact ND2-OE1 3.13Å; P141-E164 CarbonylContact C-O 3.54Å; P141-E164 WeakPolarHBondContact CA-O 3.32Å; F142-E164 WeakPolarHBondContact CD1-O 3.34Å; F142-E164 HydrophobicContact CE1-CB 3.99Å; F142-E164 PolarHBondContact N-O 2.86Å; Y157-E164 PolarHBondContact OH-OE2 2.85Å; Y161-E164 PolarHBondContact O-N 3.07Å; Y161-E164 VanDerWaalsContact O-N 3.17Å; P162-E164 PolarHBondContact O-N 2.82Å
165I98.4Very high98.4Very high11 Ų1119.2 Ų19.26%0.05611%0.105CC..EExtended strand (participates in β ladder)trans-111.4113.1-169.2-56.1-52.6000111.7F142 L144 Y157 A158 P162 S167 A269F142-I165 HydrophobicContact CD2-CD1 4.22Å; F142-I165 HydrophobicContact CE1-CD1 4.38Å; F142-I165 HydrophobicContact CE2-CD1 3.62Å; F142-I165 HydrophobicContact CZ-CD1 3.71Å; F142-I165 CarbonylContact O-C 3.5Å; F142-I165 WeakPolarHBondContact O-CA 3.34Å; L144-I165 HydrophobicContact CB-CD1 3.96Å; L144-I165 HydrophobicContact CD2-CD1 4.02Å; Y157-I165 HydrophobicContact CD1-CD1 3.84Å; Y157-I165 HydrophobicContact CD1-CG1 4.23Å; Y157-I165 HydrophobicContact CE1-CD1 3.66Å; Y157-I165 HydrophobicContact CE1-CG1 4.28Å; A158-I165 HydrophobicContact CB-CG1 4.21Å; P162-I165 PolarHBondContact O-N 2.97Å; I165-S167 WeakPolarHBondContact CG2-O 3.26Å; I165-A269 HydrophobicContact CB-CB 4.16Å; I165-A269 HydrophobicContact CG2-CB 3.58Å
166C96.9Very high98.3Very high30 Ų3019.9 Ų19.920%0.20311%0.109CC..EExtended strand (participates in β ladder)trans-66.7-45.6168.5-75.40000111.7P72 P141 F142 H143P72-C166 VanDerWaalsContact CG-SG 3.54Å; P141-C166 VanDerWaalsContact CB-SG 3.5Å; P141-C166 PolarHBondContact O-SG 3.2Å; P141-C166 VanDerWaalsContact O-SG 3.39Å; F142-C166 PolarHBondContact O-N 3.39Å; H143-C166 WeakPolarHBondContact ND1-CB 3.29Å
167S98.5Very high98Very high1 Ų123 Ų231%0.00713%0.127CC..EExtended strand (participates in β ladder)trans-160.2156.3-179.376.50000110.7H143 L144 I165 P270H143-S167 WeakPolarHBondContact CA-O 3.18Å; H143-S167 PolarHBondContact ND1-OG 3.41Å; L144-S167 PolarHBondContact N-O 3.26Å; I165-S167 WeakPolarHBondContact CG2-O 3.26Å; S167-P270 WeakPolarHBondContact CA-O 3.29Å
168L98.9Very high97.2Very high0 Ų024.2 Ų24.20%014%0.136CC..EExtended strand (participates in β ladder)trans-117.1132.7178.5-17965.4000110.2L144 A154 A158 L170 I267 P270 T271 Q272L144-L168 HydrophobicContact CB-CD1 4.2Å; L144-L168 HydrophobicContact CD2-CD1 4.26Å; L144-L168 HydrophobicContact CG-CD1 4.17Å; L144-L168 CarbonylContact O-C 3.56Å; L144-L168 WeakPolarHBondContact O-CA 3.12Å; A154-L168 HydrophobicContact CB-CD1 3.89Å; A158-L168 HydrophobicContact CB-CD1 4.23Å; A158-L168 HydrophobicContact CB-CD2 3.93Å; L168-L170 HydrophobicContact CD1-CD2 3.85Å; L168-L170 HydrophobicContact CD1-CG 4.43Å; L168-L170 HydrophobicContact CD2-CD1 4.01Å; L168-L170 HydrophobicContact CD2-CD2 3.95Å; L168-L170 HydrophobicContact CD2-CG 3.93Å; L168-L170 HydrophobicContact CG-CD2 3.88Å; L168-L170 HydrophobicContact CG-CG 3.91Å; L168-I267 HydrophobicContact CD2-CD1 3.95Å; L168-I267 HydrophobicContact CD2-CG2 4.03Å; L168-P270 PolarHBondContact N-O 2.95Å; L168-T271 HydrophobicContact CB-CG2 4.33Å; L168-T271 HydrophobicContact CD2-CG2 4.17Å; L168-T271 HydrophobicContact CG-CG2 4.32Å; L168-T271 CarbonylContact O-C 3.58Å; L168-T271 VanDerWaalsContact O-CA 3.28Å; L168-T271 WeakPolarHBondContact O-CA 3.07Å; L168-Q272 PolarHBondContact O-N 2.82Å
169T98.9Very high96.4Very high4 Ų428.8 Ų28.83%0.02517%0.168CC..EExtended strand (participates in β ladder)trans-119.3116169.5-57.60000109.4L144 V145 G146 I171 Q272 I274 M321L144-T169 PolarHBondContact O-N 3Å; V145-T169 CarbonylContact C-O 3.53Å; V145-T169 WeakPolarHBondContact CA-O 3.26Å; V145-T169 HydrophobicContact CG1-CG2 4.24Å; G146-T169 PolarHBondContact N-O 3.4Å; T169-I171 HydrophobicContact CG2-CD1 4.45Å; T169-I171 HydrophobicContact CG2-CG1 4.06Å; T169-Q272 CarbonylContact C-O 3.57Å; T169-Q272 VanDerWaalsContact CA-O 3.32Å; T169-Q272 WeakPolarHBondContact CA-O 3.28Å; T169-Q272 HydrophobicContact CG2-CB 4.42Å; T169-Q272 HydrophobicContact CG2-CG 4.42Å; T169-I274 HydrophobicContact CG2-CD1 4.3Å; T169-M321 HydrophobicContact CG2-CG 4.35Å
170L98.9Very high95.9Very high0 Ų031.8 Ų31.80%019%0.185CC..EExtended strand (participates in β ladder)trans-106.3118.7178.9-60.4179.9000109.9G151 A154 L168 P173 L260 T271 Q272 V273 I274 L290G151-L170 VanDerWaalsContact O-CD2 3.29Å; G151-L170 WeakPolarHBondContact O-CD2 3.25Å; A154-L170 HydrophobicContact CB-CD2 4.19Å; L168-L170 HydrophobicContact CD1-CD2 3.85Å; L168-L170 HydrophobicContact CD1-CG 4.43Å; L168-L170 HydrophobicContact CD2-CD1 4.01Å; L168-L170 HydrophobicContact CD2-CD2 3.95Å; L168-L170 HydrophobicContact CD2-CG 3.93Å; L168-L170 HydrophobicContact CG-CD2 3.88Å; L168-L170 HydrophobicContact CG-CG 3.91Å; L170-P173 HydrophobicContact CB-CB 4.29Å; L170-P173 HydrophobicContact CB-CG 3.88Å; L170-P173 HydrophobicContact CD1-CG 4.32Å; L170-L260 HydrophobicContact CD1-CD2 4.34Å; L170-T271 HydrophobicContact CD1-CG2 4.28Å; L170-T271 HydrophobicContact CG-CG2 4.43Å; L170-Q272 PolarHBondContact N-O 2.93Å; L170-V273 HydrophobicContact CB-CG2 4.42Å; L170-V273 CarbonylContact O-C 3.57Å; L170-V273 WeakPolarHBondContact O-CA 3.4Å; L170-I274 PolarHBondContact O-N 3.26Å; L170-L290 HydrophobicContact CD1-CD1 3.94Å; L170-L290 HydrophobicContact CD1-CD2 4.19Å
171I98.9Very high95.5Very high0 Ų030.4 Ų30.40%018%0.18CC..EExtended strand (participates in β ladder)trans-112.3104.6-178.8-52.1175.9000109.5W87 V145 G146 T147 S148 T169 I274 V309 V310 T317W87-I171 HydrophobicContact CH2-CD1 4.37Å; W87-I171 HydrophobicContact CZ3-CD1 4.26Å; V145-I171 HydrophobicContact CG1-CD1 4.1Å; G146-I171 PolarHBondContact O-N 3.4Å; T147-I171 CarbonylContact C-O 3.56Å; T147-I171 WeakPolarHBondContact CA-O 3.49Å; T147-I171 WeakPolarHBondContact CB-O 3.33Å; T147-I171 PolarHBondContact OG1-O 3.23Å; S148-I171 PolarHBondContact N-O 3.41Å; S148-I171 VanDerWaalsContact N-O 3.07Å; T169-I171 HydrophobicContact CG2-CD1 4.45Å; T169-I171 HydrophobicContact CG2-CG1 4.06Å; I171-I274 CarbonylContact C-O 3.58Å; I171-I274 VanDerWaalsContact CA-O 3.31Å; I171-I274 WeakPolarHBondContact CA-O 3.1Å; I171-I274 HydrophobicContact CG1-CB 4.41Å; I171-V309 HydrophobicContact CG2-CB 3.64Å; I171-V309 HydrophobicContact CG2-CG1 3.84Å; I171-V309 HydrophobicContact CG2-CG2 4.14Å; I171-V310 HydrophobicContact CD1-CG2 3.91Å; I171-V310 HydrophobicContact CG2-CG2 4.38Å; I171-T317 HydrophobicContact CD1-CG2 3.83Å
172C98.4Very high95.2Very high0 Ų028.4 Ų28.40%017%0.173CC..SBendtrans43.553.3-171.7-57.70000113.3S148 I274 W275 G276 D279 L282 V309S148-C172 WeakPolarHBondContact CA-O 3.33Å; S148-C172 PolarHBondContact N-O 3.29Å; C172-I274 PolarHBondContact N-O 2.99Å; C172-W275 HydrophobicContact CB-CD2 4.37Å; C172-W275 HydrophobicContact CB-CZ2 4.44Å; C172-W275 VanDerWaalsContact SG-CD1 3.53Å; C172-G276 PolarHBondContact SG-N 3.45Å; C172-D279 PolarHBondContact SG-OD2 3.04Å; C172-L282 WeakPolarHBondContact O-CD1 3.44Å; C172-V309 VanDerWaalsContact SG-CG2 3.59Å
173P98.5Very high95Very high1 Ų136 Ų361%0.00620%0.204CC..  trans-63141.2-176.129.7-40.3000112.9L170 L260 W275 L282 L290L170-P173 HydrophobicContact CB-CB 4.29Å; L170-P173 HydrophobicContact CB-CG 3.88Å; L170-P173 HydrophobicContact CD1-CG 4.32Å; P173-L260 HydrophobicContact CB-CD2 3.65Å; P173-L260 HydrophobicContact CG-CD2 3.97Å; P173-W275 HydrophobicContact CG-CH2 3.98Å; P173-W275 HydrophobicContact CG-CZ3 3.68Å; P173-W275 WeakPolarHBondContact O-CH2 3.26Å; P173-L282 VanDerWaalsContact O-CD1 3.29Å; P173-L282 WeakPolarHBondContact O-CD1 3.44Å; P173-L290 HydrophobicContact CG-CD1 3.71Å
174A97.8Very high94.7Very high17 Ų1730.3 Ų30.314%0.1417%0.173CC..SBendtrans-74.9-177.2164.800000111S148 N152 L260 L282S148-A174 PolarHBondContact O-N 3.36Å; N152-A174 HydrophobicContact CB-CB 4.2Å; N152-A174 WeakPolarHBondContact CB-O 3.31Å; A174-L260 WeakPolarHBondContact O-CD2 3.5Å; A174-L282 HydrophobicContact CB-CD1 4.01Å
175G96.8Very high94.4Very high7 Ų730.3 Ų30.37%0.07217%0.173CC..  trans87.310.3172.200000115.2N152 R257 H258 L260 H261N152-G175 VanDerWaalsContact ND2-CA 3.28Å; N152-G175 WeakPolarHBondContact ND2-CA 3.43Å; G175-R257 CarbonylContact C-O 3.58Å; G175-R257 VanDerWaalsContact CA-O 3.25Å; G175-R257 WeakPolarHBondContact CA-O 3.15Å; G175-H258 CarbonylContact O-C 3.48Å; G175-H258 VanDerWaalsContact O-CA 3.26Å; G175-H258 WeakPolarHBondContact O-CA 3.02Å; G175-L260 PolarHBondContact O-N 3.06Å; G175-H261 PolarHBondContact O-N 2.87Å
176L96.3Very high94Very high14 Ų1435.8 Ų35.87%0.07320%0.197CC..  trans-106.4142.7-179.1-64175.8000112S178 L260 H261 M264 W275 G286 I289 L290L176-S178 PolarHBondContact O-N 3.36Å; L176-L260 HydrophobicContact CD2-CB 4.3Å; L176-L260 HydrophobicContact CD2-CD2 3.96Å; L176-L260 HydrophobicContact CD2-CG 3.85Å; L176-L260 HydrophobicContact CG-CD2 4.12Å; L176-L260 HydrophobicContact CG-CG 4.47Å; L176-H261 HydrophobicContact CD2-CB 4.33Å; L176-M264 HydrophobicContact CD2-SD 4.15Å; L176-W275 HydrophobicContact CD1-CH2 3.95Å; L176-W275 HydrophobicContact CD1-CZ3 4.13Å; L176-G286 WeakPolarHBondContact CD1-O 3.4Å; L176-I289 HydrophobicContact CD2-CG2 4.5Å; L176-L290 HydrophobicContact CD1-CD1 3.88Å; L176-L290 HydrophobicContact CD1-CD2 4.44Å; L176-L290 HydrophobicContact CD1-CG 3.86Å; L176-L290 HydrophobicContact CD2-CD2 4.02Å; L176-L290 HydrophobicContact CD2-CG 4.26Å
177V93.1Very high93.7Very high64 Ų6440 Ų4039%0.38821%0.213SC..  trans-80.496.8161.8-175.50000107.5H258 H261 I289V177-H258 HydrophobicContact CG2-CB 4.17Å; V177-H261 HydrophobicContact CG2-CB 4.4Å; V177-I289 WeakPolarHBondContact O-CD1 3.38Å
178S83.1Confident93.2Very high26 Ų2640.7 Ų40.718%0.18222%0.217CC..  trans-77.7154.7-178.3-58.40000111.5L176 T180L176-S178 PolarHBondContact O-N 3.36Å; S178-T180 WeakPolarHBondContact CB-O 3.42Å; S178-T180 PolarHBondContact O-N 2.7Å
179S81.6Confident92.6Very high96 Ų9644.6 Ų44.667%0.67123%0.232SC*.SBendtrans-65.5-22.6176.5-57.10000112.5S285S179-S285 PolarHBondContact N-OG 3.41Å
180T87.9Confident92Very high75 Ų7545.5 Ų45.546%0.4624%0.241SC..SBendtrans-142.7135.4176.7-63.60000109S178 D283S178-T180 WeakPolarHBondContact CB-O 3.42Å; S178-T180 PolarHBondContact O-N 2.7Å; T180-D283 WeakPolarHBondContact O-CB 3.08Å
181D89.4Confident91.3Very high43 Ų4348 Ų4823%0.2325%0.253CS..  trans-81.8137.5170.1-67.1-46.7000110.7I185 K186 R189D181-I185 HydrophobicContact CB-CB 4.27Å; D181-I185 HydrophobicContact CB-CG2 4.05Å; D181-K186 HydrophobicContact CB-CD 4.38Å; D181-K186 HydrophobicContact CB-CG 3.64Å; D181-K186 VanDerWaalsContact O-CE 3.29Å; D181-K186 WeakPolarHBondContact O-CE 3.46Å; D181-R189 IonicContact OD1-CZ 3.53Å; D181-R189 VanDerWaalsContact OD1-CZ 3.28Å; D181-R189 IonicContact OD1-NH1 2.65Å; D181-R189 PolarHBondContact OD1-NH1 3.5Å; D181-R189 VanDerWaalsContact OD1-NH1 3.12Å; D181-R189 IonicContact OD1-NH2 3.87Å; D181-R189 PolarHBondContact OD1-NH2 3.41Å; D181-R189 IonicContact OD2-CZ 3.99Å; D181-R189 IonicContact OD2-NH1 3.27Å; D181-R189 PolarHBondContact OD2-NH1 3.49Å; D181-R189 IonicContact OD2-NH2 2.76Å
182T92.6Very high90.6Very high13 Ų1350.2 Ų50.28%0.0827%0.265CS..  trans-64.8161.2169.167.70000110.7F184 I185 K186 Q280 V281 D283T182-F184 PolarHBondContact O-N 3.28Å; T182-I185 PolarHBondContact O-N 2.86Å; T182-I185 WeakPolarHBondContact OG1-CG1 3.46Å; T182-I185 PolarHBondContact OG1-N 3.35Å; T182-K186 WeakPolarHBondContact O-CG 3.5Å; T182-K186 PolarHBondContact O-N 3.11Å; T182-Q280 WeakPolarHBondContact CB-O 3.38Å; T182-Q280 PolarHBondContact OG1-O 3.07Å; T182-V281 PolarHBondContact OG1-O 3.29Å; T182-D283 HydrophobicContact CG2-CB 3.99Å
183K92.9Very high89.8Confident187 Ų18757.9 Ų57.981%0.81330%0.301SS*.Hα-helixtrans-55.2-39.8174-68.6-176.4179.1-178.70111.6K186 Q187K183-K186 PolarHBondContact O-N 3.48Å; K183-Q187 WeakPolarHBondContact O-CB 3.28Å; K183-Q187 PolarHBondContact O-N 3.2Å
184F93.1Very high88.8Confident18 Ų1866.1 Ų66.18%0.07934%0.339CS..Hα-helixtrans-59.6-50.9176.7170.5-108.4000111.9T182 K186 Q187 L188 P202 L203 L217 V281T182-F184 PolarHBondContact O-N 3.28Å; F184-K186 PolarHBondContact O-N 3.3Å; F184-Q187 PolarHBondContact O-N 3.17Å; F184-L188 HydrophobicContact CE1-CD2 4.41Å; F184-L188 HydrophobicContact CZ-CD2 4.36Å; F184-L188 VanDerWaalsContact O-CB 3.32Å; F184-L188 WeakPolarHBondContact O-CB 3.45Å; F184-L188 PolarHBondContact O-N 2.94Å; F184-P202 HydrophobicContact CD2-CB 4.49Å; F184-P202 HydrophobicContact CD2-CG 4.22Å; F184-P202 HydrophobicContact CE2-CB 4.06Å; F184-P202 HydrophobicContact CE2-CG 3.85Å; F184-L203 HydrophobicContact CE1-CD1 4.33Å; F184-L203 HydrophobicContact CZ-CD1 3.99Å; F184-L203 HydrophobicContact CZ-CG 4.09Å; F184-L217 HydrophobicContact CB-CD1 4.22Å; F184-L217 HydrophobicContact CD2-CD2 3.93Å; F184-L217 HydrophobicContact CE2-CD2 4.22Å; F184-L217 HydrophobicContact CG-CD2 4.31Å; F184-V281 HydrophobicContact CD1-CG1 4.03Å; F184-V281 HydrophobicContact CE1-CG1 3.98Å
185I91.2Very high87.4Confident30 Ų3068.4 Ų68.415%0.15435%0.354CS..Hα-helixtrans-65.5-38.5-179.7-65.8-63.3000111.9D181 T182 L188 R189 V281 L282D181-I185 HydrophobicContact CB-CB 4.27Å; D181-I185 HydrophobicContact CB-CG2 4.05Å; T182-I185 PolarHBondContact O-N 2.86Å; T182-I185 WeakPolarHBondContact OG1-CG1 3.46Å; T182-I185 PolarHBondContact OG1-N 3.35Å; I185-L188 HydrophobicContact CD1-CD2 4.36Å; I185-L188 PolarHBondContact O-N 3.11Å; I185-R189 HydrophobicContact CG2-CG 4.49Å; I185-R189 WeakPolarHBondContact O-CG 3.43Å; I185-R189 PolarHBondContact O-N 3.1Å; I185-V281 WeakPolarHBondContact CG1-O 3.23Å; I185-L282 HydrophobicContact CD1-CD2 4.36Å
186K91.1Very high86.1Confident126 Ų12677.2 Ų77.255%0.54839%0.39SS..Hα-helixtrans-60.6-48.5175.7-70.9-179.9-179.2178.90111.8D181 T182 K183 F184 R189 G190D181-K186 HydrophobicContact CB-CD 4.38Å; D181-K186 HydrophobicContact CB-CG 3.64Å; D181-K186 VanDerWaalsContact O-CE 3.29Å; D181-K186 WeakPolarHBondContact O-CE 3.46Å; T182-K186 WeakPolarHBondContact O-CG 3.5Å; T182-K186 PolarHBondContact O-N 3.11Å; K183-K186 PolarHBondContact O-N 3.48Å; F184-K186 PolarHBondContact O-N 3.3Å; K186-R189 PolarHBondContact O-N 3.23Å; K186-G190 PolarHBondContact O-N 3.25Å; K186-G190 VanDerWaalsContact O-N 3.1Å
187Q89.8Confident84.7Confident117 Ų11779.2 Ų79.255%0.54741%0.405SS..Hα-helixtrans-62.4-47.4178-179.1179.3-14.200111.2K183 F184 R189 G190 E191K183-Q187 WeakPolarHBondContact O-CB 3.28Å; K183-Q187 PolarHBondContact O-N 3.2Å; F184-Q187 PolarHBondContact O-N 3.17Å; Q187-R189 VanDerWaalsContact C-N 3.31Å; Q187-R189 PolarHBondContact O-N 3.01Å; Q187-G190 PolarHBondContact O-N 2.96Å; Q187-G190 VanDerWaalsContact O-N 3.13Å; Q187-E191 WeakPolarHBondContact CG-OE1 3.36Å; Q187-E191 PolarHBondContact NE2-OE1 3.37Å; Q187-E191 PolarHBondContact O-N 3.05Å
188L88.5Confident83.7Confident17 Ų1777 Ų779%0.08939%0.391CS..Hα-helixtrans-56.1-44.7178.8173.664.4000112.3F184 I185 L192 I198 F248 V252F184-L188 HydrophobicContact CE1-CD2 4.41Å; F184-L188 HydrophobicContact CZ-CD2 4.36Å; F184-L188 VanDerWaalsContact O-CB 3.32Å; F184-L188 WeakPolarHBondContact O-CB 3.45Å; F184-L188 PolarHBondContact O-N 2.94Å; I185-L188 HydrophobicContact CD1-CD2 4.36Å; I185-L188 PolarHBondContact O-N 3.11Å; L188-L192 HydrophobicContact CD1-CD1 4.05Å; L188-L192 HydrophobicContact CD1-CG 4.41Å; L188-L192 HydrophobicContact CG-CD1 4.14Å; L188-L192 WeakPolarHBondContact O-CG 3.34Å; L188-L192 PolarHBondContact O-N 3.18Å; L188-L192 VanDerWaalsContact O-N 3.14Å; L188-I198 HydrophobicContact CD1-CD1 3.41Å; L188-I198 VanDerWaalsContact CD1-CD1 3.41Å; L188-I198 HydrophobicContact CD1-CG1 4.45Å; L188-F248 HydrophobicContact CD1-CE1 3.62Å; L188-F248 HydrophobicContact CD1-CZ 3.9Å; L188-F248 HydrophobicContact CD2-CE1 4.25Å; L188-F248 HydrophobicContact CD2-CZ 3.8Å; L188-V252 HydrophobicContact CD2-CG1 4.14Å
189R85.3Confident83.2Confident82 Ų8283.3 Ų83.331%0.30942%0.423SS..Hα-helixtrans-66.2-39.5177.7-73.5-176.4-171.9154.316.2112.2D181 I185 K186 Q187 Q193D181-R189 IonicContact OD1-CZ 3.53Å; D181-R189 VanDerWaalsContact OD1-CZ 3.28Å; D181-R189 IonicContact OD1-NH1 2.65Å; D181-R189 PolarHBondContact OD1-NH1 3.5Å; D181-R189 VanDerWaalsContact OD1-NH1 3.12Å; D181-R189 IonicContact OD1-NH2 3.87Å; D181-R189 PolarHBondContact OD1-NH2 3.41Å; D181-R189 IonicContact OD2-CZ 3.99Å; D181-R189 IonicContact OD2-NH1 3.27Å; D181-R189 PolarHBondContact OD2-NH1 3.49Å; D181-R189 IonicContact OD2-NH2 2.76Å; I185-R189 HydrophobicContact CG2-CG 4.49Å; I185-R189 WeakPolarHBondContact O-CG 3.43Å; I185-R189 PolarHBondContact O-N 3.1Å; K186-R189 PolarHBondContact O-N 3.23Å; Q187-R189 VanDerWaalsContact C-N 3.31Å; Q187-R189 PolarHBondContact O-N 3.01Å; R189-Q193 WeakPolarHBondContact O-CB 3.31Å; R189-Q193 VanDerWaalsContact O-CG 3.23Å; R189-Q193 WeakPolarHBondContact O-CG 3.25Å; R189-Q193 PolarHBondContact O-N 3.02Å
190G86.2Confident83.4Confident22 Ų2284.5 Ų84.523%0.22741%0.412CS..Hα-helixtrans-59.5-50.1175.500000112.1K186 Q187 L192 Q193 E194K186-G190 PolarHBondContact O-N 3.25Å; K186-G190 VanDerWaalsContact O-N 3.1Å; Q187-G190 PolarHBondContact O-N 2.96Å; Q187-G190 VanDerWaalsContact O-N 3.13Å; G190-L192 PolarHBondContact O-N 3.16Å; G190-Q193 PolarHBondContact O-N 2.9Å; G190-E194 WeakPolarHBondContact O-CG 3.25Å; G190-E194 PolarHBondContact O-N 2.98Å
191E85.5Confident83.5Confident54 Ų5481.3 Ų81.325%0.25239%0.392SS..Hα-helixtrans-61.5-41.4-179.9-69.7177.4-163.700112.6Q187 E194 S195Q187-E191 WeakPolarHBondContact CG-OE1 3.36Å; Q187-E191 PolarHBondContact NE2-OE1 3.37Å; Q187-E191 PolarHBondContact O-N 3.05Å; E191-E194 PolarHBondContact O-N 3.35Å; E191-S195 PolarHBondContact O-N 2.91Å; E191-S195 VanDerWaalsContact O-N 3.08Å; E191-S195 PolarHBondContact O-OG 3.41Å
192L83.1Confident83.7Confident45 Ų4581.3 Ų81.324%0.23640%0.395CS..Hα-helixtrans-64.9-38.2176.2-77.1170.1000112.8L188 G190 K196 I198 L249 V252L188-L192 HydrophobicContact CD1-CD1 4.05Å; L188-L192 HydrophobicContact CD1-CG 4.41Å; L188-L192 HydrophobicContact CG-CD1 4.14Å; L188-L192 WeakPolarHBondContact O-CG 3.34Å; L188-L192 PolarHBondContact O-N 3.18Å; L188-L192 VanDerWaalsContact O-N 3.14Å; G190-L192 PolarHBondContact O-N 3.16Å; L192-K196 PolarHBondContact O-N 3.32Å; L192-I198 HydrophobicContact CD1-CD1 4.29Å; L192-I198 HydrophobicContact CD2-CD1 3.57Å; L192-I198 HydrophobicContact CD2-CG1 3.75Å; L192-I198 HydrophobicContact CG-CD1 3.81Å; L192-I198 HydrophobicContact CG-CG1 4.07Å; L192-L249 HydrophobicContact CD2-CD2 4.01Å; L192-V252 HydrophobicContact CD1-CB 4.44Å; L192-V252 HydrophobicContact CD1-CG2 3.77Å
193Q81.4Confident83.8Confident162 Ų16281.5 Ų81.576%0.75740%0.396SS*.Hα-helixtrans-69.4-40.2177.4-75.5173.22.600112R189 G190R189-Q193 WeakPolarHBondContact O-CB 3.31Å; R189-Q193 VanDerWaalsContact O-CG 3.23Å; R189-Q193 WeakPolarHBondContact O-CG 3.25Å; R189-Q193 PolarHBondContact O-N 3.02Å; G190-Q193 PolarHBondContact O-N 2.9Å
194E78.7Confident83.9Confident174 Ų17472.9 Ų72.981%0.81336%0.358SS*.Hα-helixtrans-76.8-41.8-175-72.9178-17600113.4G190 E191G190-E194 WeakPolarHBondContact O-CG 3.25Å; G190-E194 PolarHBondContact O-N 2.98Å; E191-E194 PolarHBondContact O-N 3.35Å
195S68.6Low84.1Confident64 Ų6472 Ų7245%0.44836%0.355SS..Hα-helixtrans-125.9-1.9-164.869.90000115.3E191 S197E191-S195 PolarHBondContact O-N 2.91Å; E191-S195 VanDerWaalsContact O-N 3.08Å; E191-S195 PolarHBondContact O-OG 3.41Å; S195-S197 PolarHBondContact O-N 2.81Å; S195-S197 PolarHBondContact O-OG 3.3Å; S195-S197 VanDerWaalsContact O-OG 3.07Å; S195-S197 PolarHBondContact OG-O 3.46Å
196K69Low84.3Confident192 Ų19272.6 Ų72.684%0.83536%0.361SS*.SBendtrans49.212.8-173.6-63.5-174.3179.2-179.30114.6L192L192-K196 PolarHBondContact O-N 3.32Å
197S66.3Low84.5Confident56 Ų5669.1 Ų69.139%0.39235%0.35SS..SBendtrans-145.5155-177.459.90000107.9S195S195-S197 PolarHBondContact O-N 2.81Å; S195-S197 PolarHBondContact O-OG 3.3Å; S195-S197 VanDerWaalsContact O-OG 3.07Å; S195-S197 PolarHBondContact OG-O 3.46Å
198I72.8Confident84.8Confident19 Ų1964 Ų6410%0.09733%0.327CS..  trans-125.1114.3177.9-58.6164.3000107.1L188 L192 R200 I201 F248 L249L188-I198 HydrophobicContact CD1-CD1 3.41Å; L188-I198 VanDerWaalsContact CD1-CD1 3.41Å; L188-I198 HydrophobicContact CD1-CG1 4.45Å; L192-I198 HydrophobicContact CD1-CD1 4.29Å; L192-I198 HydrophobicContact CD2-CD1 3.57Å; L192-I198 HydrophobicContact CD2-CG1 3.75Å; L192-I198 HydrophobicContact CG-CD1 3.81Å; L192-I198 HydrophobicContact CG-CG1 4.07Å; I198-R200 WeakPolarHBondContact CG2-O 3.46Å; I198-I201 HydrophobicContact CB-CD1 4.35Å; I198-I201 HydrophobicContact CB-CG1 3.91Å; I198-I201 HydrophobicContact CD1-CD1 4.46Å; I198-I201 HydrophobicContact CD1-CG1 4.23Å; I198-I201 HydrophobicContact CG2-CD1 4.4Å; I198-I201 HydrophobicContact CG2-CG1 3.45Å; I198-I201 VanDerWaalsContact CG2-CG1 3.45Å; I198-F248 HydrophobicContact CD1-CD1 4.19Å; I198-F248 HydrophobicContact CD1-CE1 3.82Å; I198-L249 HydrophobicContact CD1-CD2 4.1Å
199N72.8Confident85.2Confident157 Ų15768.2 Ų68.284%0.8435%0.347SS*.SBendtrans-69.1-39.9-179.8-78.3-19.9000111.8
200R84.9Confident85.7Confident121 Ų12166.1 Ų66.146%0.45734%0.34SS..  trans-133.6116.2-180-175.8173.6173.6-164.6-9.1110.2I198 P202 E210 D213I198-R200 WeakPolarHBondContact CG2-O 3.46Å; R200-P202 WeakPolarHBondContact O-CD 3.23Å; R200-E210 WeakPolarHBondContact CD-OE1 3.49Å; R200-E210 IonicContact CZ-OE1 3.5Å; R200-E210 IonicContact NE-OE1 2.92Å; R200-E210 PolarHBondContact NE-OE1 2.98Å; R200-D213 IonicContact NH2-OD2 3.01Å; R200-D213 PolarHBondContact NH2-OD2 3.34Å
201I90.4Very high86.2Confident8 Ų865.7 Ų65.74%0.04133%0.332CS..  trans-100.1112.4173.7-62.9163.9000107.2I198 L203 I204 R245 F248I198-I201 HydrophobicContact CB-CD1 4.35Å; I198-I201 HydrophobicContact CB-CG1 3.91Å; I198-I201 HydrophobicContact CD1-CD1 4.46Å; I198-I201 HydrophobicContact CD1-CG1 4.23Å; I198-I201 HydrophobicContact CG2-CD1 4.4Å; I198-I201 HydrophobicContact CG2-CG1 3.45Å; I198-I201 VanDerWaalsContact CG2-CG1 3.45Å; I201-L203 HydrophobicContact CG2-CB 4.26Å; I201-L203 PolarHBondContact O-N 3.06Å; I201-I204 HydrophobicContact CB-CB 4.28Å; I201-I204 HydrophobicContact CB-CD1 3.91Å; I201-I204 HydrophobicContact CB-CG1 4.01Å; I201-I204 HydrophobicContact CD1-CD1 3.63Å; I201-I204 HydrophobicContact CG1-CD1 4.35Å; I201-I204 HydrophobicContact CG2-CD1 3.94Å; I201-I204 HydrophobicContact CG2-CG1 3.83Å; I201-I204 PolarHBondContact O-N 3.5Å; I201-R245 HydrophobicContact CD1-CG 4.25Å; I201-F248 HydrophobicContact CD1-CB 4.13Å; I201-F248 HydrophobicContact CD1-CD1 3.45Å; I201-F248 VanDerWaalsContact CD1-CD1 3.45Å; I201-F248 HydrophobicContact CD1-CE1 4.05Å; I201-F248 HydrophobicContact CD1-CG 3.95Å; I201-F248 HydrophobicContact CG1-CD1 3.99Å; I201-F248 HydrophobicContact CG1-CE1 4.07Å; I201-F248 HydrophobicContact CG2-CD1 3.97Å; I201-F248 HydrophobicContact CG2-CD2 4.06Å; I201-F248 HydrophobicContact CG2-CE1 3.78Å; I201-F248 HydrophobicContact CG2-CE2 3.91Å; I201-F248 HydrophobicContact CG2-CG 4.08Å; I201-F248 HydrophobicContact CG2-CZ 3.75Å
202P93.2Very high86.7Confident43 Ų4365 Ų6528%0.27934%0.336SS..THydrogen-bonded Turntrans-54.6-18.6-178.8-30.635.8000115.7F184 R200 M214 L217F184-P202 HydrophobicContact CD2-CB 4.49Å; F184-P202 HydrophobicContact CD2-CG 4.22Å; F184-P202 HydrophobicContact CE2-CB 4.06Å; F184-P202 HydrophobicContact CE2-CG 3.85Å; R200-P202 WeakPolarHBondContact O-CD 3.23Å; P202-M214 WeakPolarHBondContact O-CB 3.41Å; P202-M214 WeakPolarHBondContact O-CG 3.27Å; P202-L217 HydrophobicContact CB-CD2 3.86Å
203L95.1Very high87.3Confident18 Ų1866.6 Ų66.69%0.09435%0.345CS..THydrogen-bonded Turntrans-90-0.2176.5-55.8-178.2000113.7F80 S81 F184 I201 M214 L217 R237 F248F80-L203 HydrophobicContact CD1-CB 3.97Å; F80-L203 HydrophobicContact CD1-CD1 4.26Å; F80-L203 HydrophobicContact CE1-CB 3.95Å; S81-L203 PolarHBondContact OG-O 2.85Å; F184-L203 HydrophobicContact CE1-CD1 4.33Å; F184-L203 HydrophobicContact CZ-CD1 3.99Å; F184-L203 HydrophobicContact CZ-CG 4.09Å; I201-L203 HydrophobicContact CG2-CB 4.26Å; I201-L203 PolarHBondContact O-N 3.06Å; L203-M214 HydrophobicContact CD2-CE 4.41Å; L203-M214 HydrophobicContact CD2-CG 4.5Å; L203-L217 HydrophobicContact CD2-CD2 4.1Å; L203-R237 PolarHBondContact O-NH2 3.48Å; L203-F248 HydrophobicContact CD1-CE2 4.14Å
204I95.9Very high88.1Confident5 Ų560 Ų603%0.02631%0.314CS..SBendtrans-127.170.8179.7-48.7176.6000109.1F80 I201 N241 R245 F248F80-I204 HydrophobicContact CE1-CD1 4.13Å; F80-I204 HydrophobicContact CE1-CG1 3.7Å; F80-I204 HydrophobicContact CZ-CD1 3.77Å; F80-I204 HydrophobicContact CZ-CG1 3.82Å; I201-I204 HydrophobicContact CB-CB 4.28Å; I201-I204 HydrophobicContact CB-CD1 3.91Å; I201-I204 HydrophobicContact CB-CG1 4.01Å; I201-I204 HydrophobicContact CD1-CD1 3.63Å; I201-I204 HydrophobicContact CG1-CD1 4.35Å; I201-I204 HydrophobicContact CG2-CD1 3.94Å; I201-I204 HydrophobicContact CG2-CG1 3.83Å; I201-I204 PolarHBondContact O-N 3.5Å; I204-N241 HydrophobicContact CG2-CB 3.7Å; I204-N241 WeakPolarHBondContact CG2-OD1 3.44Å; I204-R245 HydrophobicContact CD1-CB 4.37Å; I204-R245 HydrophobicContact CD1-CG 3.79Å; I204-F248 HydrophobicContact CD1-CB 4.32Å
205P95.7Very high88.9Confident1 Ų153.8 Ų53.81%0.00629%0.287CS..  trans-69141.8-178.229.8-35.8000111.5E210 M211 M214 N241P205-E210 HydrophobicContact CB-CB 3.73Å; P205-M211 HydrophobicContact CB-CB 4.06Å; P205-M211 HydrophobicContact CB-SD 4.42Å; P205-M211 HydrophobicContact CG-CB 4.3Å; P205-M211 HydrophobicContact CG-SD 3.66Å; P205-M214 VanDerWaalsContact CD-SD 3.55Å; P205-M214 HydrophobicContact CG-SD 3.75Å; P205-N241 PolarHBondContact O-ND2 2.82Å
206S95.7Very high90.2Very high42 Ų4256.4 Ų56.429%0.29429%0.29SS..  trans-120.8-6.9176.4-54.80000112.8E210 V234 N241S206-E210 PolarHBondContact N-OE2 3.25Å; S206-V234 WeakPolarHBondContact O-CG1 3.37Å; S206-N241 PolarHBondContact OG-ND2 3.28Å
207T96.4Very high91.5Very high52 Ų5248.6 Ų48.632%0.31926%0.257SS..SBendtrans-132.5161.3172.487.90000111.6E209 E210 M211 V234T207-E209 VanDerWaalsContact CB-OE2 3.3Å; T207-E209 WeakPolarHBondContact CB-OE2 3.31Å; T207-E209 PolarHBondContact O-N 3.21Å; T207-E209 PolarHBondContact OG1-N 3.41Å; T207-E209 PolarHBondContact OG1-OE2 2.86Å; T207-E210 HydrophobicContact CG2-CG 4.38Å; T207-E210 PolarHBondContact O-N 3.02Å; T207-E210 WeakPolarHBondContact OG1-CG 3.49Å; T207-E210 PolarHBondContact OG1-N 3.24Å; T207-M211 PolarHBondContact O-N 3.42Å; T207-V234 WeakPolarHBondContact O-CG2 3.42Å
208P96.4Very high93Very high10 Ų1046.3 Ų46.37%0.06524%0.241CC..Hα-helixtrans-55.5-36.7174.7-28.837.7000113.9M211 A212 Q227 L230 Q231P208-M211 PolarHBondContact O-N 3.41Å; P208-A212 PolarHBondContact O-N 3.16Å; P208-Q227 HydrophobicContact CB-CG 4.35Å; P208-L230 HydrophobicContact CB-CB 3.84Å; P208-Q231 HydrophobicContact CG-CB 4.2Å
209E96.3Very high94.1Very high106 Ų10645.5 Ų45.550%0.49524%0.237SC..Hα-helixtrans-66.7-45.8177.6-58.968.9-146.900110.2T207 M211 A212 D213T207-E209 VanDerWaalsContact CB-OE2 3.3Å; T207-E209 WeakPolarHBondContact CB-OE2 3.31Å; T207-E209 PolarHBondContact O-N 3.21Å; T207-E209 PolarHBondContact OG1-N 3.41Å; T207-E209 PolarHBondContact OG1-OE2 2.86Å; E209-M211 VanDerWaalsContact C-N 3.26Å; E209-M211 PolarHBondContact O-N 2.97Å; E209-A212 WeakPolarHBondContact O-CB 3.31Å; E209-A212 PolarHBondContact O-N 2.95Å; E209-D213 PolarHBondContact O-N 3.13Å
210E96.1Very high95.2Very high37 Ų3742.8 Ų42.817%0.17322%0.216CC..Hα-helixtrans-62.8-35.3174.7-59.8-167.3144.500111.9R200 P205 S206 T207 D213 M214R200-E210 WeakPolarHBondContact CD-OE1 3.49Å; R200-E210 IonicContact CZ-OE1 3.5Å; R200-E210 IonicContact NE-OE1 2.92Å; R200-E210 PolarHBondContact NE-OE1 2.98Å; P205-E210 HydrophobicContact CB-CB 3.73Å; S206-E210 PolarHBondContact N-OE2 3.25Å; T207-E210 HydrophobicContact CG2-CG 4.38Å; T207-E210 PolarHBondContact O-N 3.02Å; T207-E210 WeakPolarHBondContact OG1-CG 3.49Å; T207-E210 PolarHBondContact OG1-N 3.24Å; E210-D213 PolarHBondContact O-N 3.01Å; E210-M214 WeakPolarHBondContact O-CB 3.19Å; E210-M214 PolarHBondContact O-N 3.34Å
211M96.4Very high95.4Very high13 Ų1339.4 Ų39.46%0.06421%0.209CC..Hα-helixtrans-67.2-41.2174.7-176.360.3-16800111.5P205 T207 P208 E209 D213 M214 L215 L230 L233 V234P205-M211 HydrophobicContact CB-CB 4.06Å; P205-M211 HydrophobicContact CB-SD 4.42Å; P205-M211 HydrophobicContact CG-CB 4.3Å; P205-M211 HydrophobicContact CG-SD 3.66Å; T207-M211 PolarHBondContact O-N 3.42Å; P208-M211 PolarHBondContact O-N 3.41Å; E209-M211 VanDerWaalsContact C-N 3.26Å; E209-M211 PolarHBondContact O-N 2.97Å; M211-D213 VanDerWaalsContact C-N 3.33Å; M211-M214 PolarHBondContact O-N 3Å; M211-M214 HydrophobicContact SD-SD 4.27Å; M211-L215 HydrophobicContact CE-CD1 4.26Å; M211-L215 HydrophobicContact CE-CD2 3.94Å; M211-L215 HydrophobicContact CE-CG 4Å; M211-L215 WeakPolarHBondContact O-CG 3.5Å; M211-L215 PolarHBondContact O-N 3.17Å; M211-L230 HydrophobicContact CB-CD2 4.29Å; M211-L230 HydrophobicContact CG-CD2 3.87Å; M211-L233 HydrophobicContact CE-CB 3.97Å; M211-L233 HydrophobicContact CE-CD1 3.79Å; M211-L233 HydrophobicContact CE-CG 4.36Å; M211-L233 HydrophobicContact CG-CB 4.25Å; M211-L233 HydrophobicContact SD-CB 4.43Å; M211-V234 HydrophobicContact CB-CG2 3.6Å; M211-V234 HydrophobicContact CG-CG2 4.19Å
212A96.4Very high95.3Very high39 Ų3945.6 Ų45.632%0.32223%0.231SC..Hα-helixtrans-62.7-41.4173.600000111.6P208 E209 L215 K216 L230P208-A212 PolarHBondContact O-N 3.16Å; E209-A212 WeakPolarHBondContact O-CB 3.31Å; E209-A212 PolarHBondContact O-N 2.95Å; A212-L215 PolarHBondContact O-N 2.84Å; A212-K216 WeakPolarHBondContact O-CB 3.43Å; A212-K216 PolarHBondContact O-N 3.06Å; A212-L230 HydrophobicContact CB-CD1 4.04Å; A212-L230 HydrophobicContact CB-CD2 4.45Å
213D95.6Very high94.7Very high79 Ų7948.4 Ų48.442%0.42224%0.239SC..Hα-helixtrans-61.5-45.3174.2-75.1-22.7000111.5R200 E209 E210 M211 L215 K216 L217R200-D213 IonicContact NH2-OD2 3.01Å; R200-D213 PolarHBondContact NH2-OD2 3.34Å; E209-D213 PolarHBondContact O-N 3.13Å; E210-D213 PolarHBondContact O-N 3.01Å; M211-D213 VanDerWaalsContact C-N 3.33Å; D213-L215 PolarHBondContact O-N 3.23Å; D213-K216 CarbonylContact O-C 3.57Å; D213-K216 PolarHBondContact O-N 2.87Å; D213-L217 WeakPolarHBondContact O-CB 3.48Å; D213-L217 PolarHBondContact O-N 2.86Å
214M96.4Very high94.3Very high24 Ų2457.7 Ų57.712%0.11828%0.279CS..Hα-helixtrans-58.5-47.4175.1-175.4-171.1175.500111P202 L203 P205 E210 M211 K216 L217 C218P202-M214 WeakPolarHBondContact O-CB 3.41Å; P202-M214 WeakPolarHBondContact O-CG 3.27Å; L203-M214 HydrophobicContact CD2-CE 4.41Å; L203-M214 HydrophobicContact CD2-CG 4.5Å; P205-M214 VanDerWaalsContact CD-SD 3.55Å; P205-M214 HydrophobicContact CG-SD 3.75Å; E210-M214 WeakPolarHBondContact O-CB 3.19Å; E210-M214 PolarHBondContact O-N 3.34Å; M211-M214 PolarHBondContact O-N 3Å; M211-M214 HydrophobicContact SD-SD 4.27Å; M214-K216 VanDerWaalsContact C-N 3.29Å; M214-K216 PolarHBondContact O-N 3.23Å; M214-L217 PolarHBondContact O-N 3.26Å; M214-C218 WeakPolarHBondContact O-CB 3.35Å; M214-C218 PolarHBondContact O-N 3.48Å; M214-C218 PolarHBondContact O-SG 3.04Å; M214-C218 VanDerWaalsContact O-SG 3.34Å
215L96Very high94Very high44 Ų4459.4 Ų59.423%0.2329%0.29CS..Hα-helixtrans-61.5-38.4177.2-69.6176.2000112M211 A212 D213 S219 V225 L230M211-L215 HydrophobicContact CE-CD1 4.26Å; M211-L215 HydrophobicContact CE-CD2 3.94Å; M211-L215 HydrophobicContact CE-CG 4Å; M211-L215 WeakPolarHBondContact O-CG 3.5Å; M211-L215 PolarHBondContact O-N 3.17Å; A212-L215 PolarHBondContact O-N 2.84Å; D213-L215 PolarHBondContact O-N 3.23Å; L215-S219 WeakPolarHBondContact O-CB 3.34Å; L215-S219 PolarHBondContact O-N 2.73Å; L215-S219 PolarHBondContact O-OG 3.31Å; L215-V225 HydrophobicContact CD1-CG2 4.15Å; L215-L230 HydrophobicContact CD1-CD2 3.88Å
216K95.9Very high93.9Very high118 Ų11862.8 Ų62.851%0.51331%0.311SS..Hα-helixtrans-69.5-33.3176.5157.1161.1-173.9-162.70112.9A212 D213 M214 R222 Q280A212-K216 WeakPolarHBondContact O-CB 3.43Å; A212-K216 PolarHBondContact O-N 3.06Å; D213-K216 CarbonylContact O-C 3.57Å; D213-K216 PolarHBondContact O-N 2.87Å; M214-K216 VanDerWaalsContact C-N 3.29Å; M214-K216 PolarHBondContact O-N 3.23Å; K216-R222 VanDerWaalsContact CG-NH1 3.32Å; K216-R222 PolarHBondContact O-NH1 3.49Å; K216-Q280 PolarHBondContact O-NE2 2.83Å
217L96.6Very high93.8Very high28 Ų2866.3 Ų66.315%0.14732%0.323CS..Hα-helixtrans-70.2-49.4173.1176.964.8000110.4F184 P202 L203 D213 M214 Q280 V281F184-L217 HydrophobicContact CB-CD1 4.22Å; F184-L217 HydrophobicContact CD2-CD2 3.93Å; F184-L217 HydrophobicContact CE2-CD2 4.22Å; F184-L217 HydrophobicContact CG-CD2 4.31Å; P202-L217 HydrophobicContact CB-CD2 3.86Å; L203-L217 HydrophobicContact CD2-CD2 4.1Å; D213-L217 WeakPolarHBondContact O-CB 3.48Å; D213-L217 PolarHBondContact O-N 2.86Å; M214-L217 PolarHBondContact O-N 3.26Å; L217-Q280 HydrophobicContact CD1-CB 3.99Å; L217-V281 HydrophobicContact CD2-CG2 4.37Å; L217-V281 HydrophobicContact CG-CG2 3.96Å
218C96.9Very high93.7Very high8 Ų867 Ų675%0.05432%0.323CS..Hα-helixtrans-80.2-16.4-173.4-60.10000114.2M214 H307 S308M214-C218 WeakPolarHBondContact O-CB 3.35Å; M214-C218 PolarHBondContact O-N 3.48Å; M214-C218 PolarHBondContact O-SG 3.04Å; M214-C218 VanDerWaalsContact O-SG 3.34Å; C218-H307 HydrophobicContact CB-CB 4.35Å; C218-H307 WeakPolarHBondContact O-CA 3.16Å; C218-H307 WeakPolarHBondContact O-CB 3.13Å; C218-H307 PolarHBondContact O-N 3.41Å; C218-S308 WeakPolarHBondContact CB-OG 3.24Å; C218-S308 PolarHBondContact O-N 2.97Å
219S96.5Very high93.5Very high2 Ų268.9 Ų68.91%0.01433%0.332CS..  trans-123.5140.4-174.3-42.40000112.9L215 R222 E312L215-S219 WeakPolarHBondContact O-CB 3.34Å; L215-S219 PolarHBondContact O-N 2.73Å; L215-S219 PolarHBondContact O-OG 3.31Å; S219-R222 PolarHBondContact O-NH1 3.29Å; S219-E312 VanDerWaalsContact CA-OE1 3.29Å; S219-E312 WeakPolarHBondContact CA-OE1 3.48Å
220Y95.9Very high93.5Very high100 Ų10064.7 Ų64.739%0.39231%0.313SS..SBendtrans-71.2-46.1166.5173.9-90.9000110.4R222 Q278 N304 E312Y220-R222 PolarHBondContact O-N 2.88Å; Y220-Q278 HydrophobicContact CD2-CB 3.6Å; Y220-Q278 HydrophobicContact CD2-CG 3.63Å; Y220-Q278 HydrophobicContact CE2-CB 4.39Å; Y220-Q278 HydrophobicContact CE2-CG 3.91Å; Y220-Q278 HydrophobicContact CG-CB 4.38Å; Y220-N304 HydrophobicContact CD1-CB 3.79Å; Y220-N304 WeakPolarHBondContact CD1-O 3.28Å; Y220-N304 HydrophobicContact CE1-CB 3.46Å; Y220-N304 VanDerWaalsContact CE1-CB 3.46Å; Y220-N304 VanDerWaalsContact CG-C 3.41Å; Y220-N304 HydrophobicContact CG-CB 4.5Å; Y220-N304 PolarHBondContact OH-OD1 3.16Å; Y220-E312 PolarHBondContact N-OE1 2.95Å; Y220-E312 VanDerWaalsContact N-OE1 3.16Å; Y220-E312 PolarHBondContact N-OE2 3.47Å
221V89.4Confident93.5Very high51 Ų5166 Ų6631%0.30932%0.319SS..SBendtrans-66.2128.8178.2178.50000109.9F223 E312V221-F223 HydrophobicContact CB-CE1 4.49Å; V221-F223 HydrophobicContact CB-CE2 4.31Å; V221-F223 HydrophobicContact CB-CZ 4.09Å; V221-F223 HydrophobicContact CG1-CD1 4.27Å; V221-F223 HydrophobicContact CG1-CE1 3.94Å; V221-F223 HydrophobicContact CG1-CE2 4.47Å; V221-F223 HydrophobicContact CG1-CZ 4.06Å; V221-F223 PolarHBondContact O-N 3.48Å; V221-E312 WeakPolarHBondContact CG2-OE2 3.17Å; V221-E312 PolarHBondContact N-OE2 2.81Å
222R88.6Confident93.5Very high137 Ų13765.3 Ų65.352%0.51732%0.316SS..  trans-87.299.6176.4-57.9-54.9-173.4-1595.8109.8K216 S219 Y220K216-R222 VanDerWaalsContact CG-NH1 3.32Å; K216-R222 PolarHBondContact O-NH1 3.49Å; S219-R222 PolarHBondContact O-NH1 3.29Å; Y220-R222 PolarHBondContact O-N 2.88Å
223F79.8Confident93.5Very high103 Ų10365 Ų6545%0.45231%0.308SS..  trans-76.7124175.4-58.1-76.7000110.4V221 V225V221-F223 HydrophobicContact CB-CE1 4.49Å; V221-F223 HydrophobicContact CB-CE2 4.31Å; V221-F223 HydrophobicContact CB-CZ 4.09Å; V221-F223 HydrophobicContact CG1-CD1 4.27Å; V221-F223 HydrophobicContact CG1-CE1 3.94Å; V221-F223 HydrophobicContact CG1-CE2 4.47Å; V221-F223 HydrophobicContact CG1-CZ 4.06Å; V221-F223 PolarHBondContact O-N 3.48Å; F223-V225 HydrophobicContact CB-CG2 3.58Å; F223-V225 PolarHBondContact O-N 3.29Å
224K87.6Confident93.5Very high213 Ų21361.3 Ų61.393%0.92629%0.288SS*.  trans-83.489164.5-68.3-173.2-179.1-1770108
225V90.2Very high93.5Very high41 Ų4162.5 Ų62.525%0.24830%0.295CS..  trans-94.7127.9-178.3-173.70000109L215 F223 I229 L230L215-V225 HydrophobicContact CD1-CG2 4.15Å; F223-V225 HydrophobicContact CB-CG2 3.58Å; F223-V225 PolarHBondContact O-N 3.29Å; V225-I229 HydrophobicContact CG1-CB 3.66Å; V225-I229 HydrophobicContact CG1-CG2 3.5Å; V225-L230 HydrophobicContact CB-CD1 4.49Å; V225-L230 HydrophobicContact CB-CD2 3.92Å; V225-L230 HydrophobicContact CB-CG 4Å; V225-L230 HydrophobicContact CG1-CD2 3.88Å; V225-L230 HydrophobicContact CG1-CG 3.82Å
226P92.8Very high93.5Very high71 Ų7161.4 Ų61.446%0.46129%0.291SS..  trans-56.3142.9173.9-2534.4000111.6F27 Q228 I229 L230F27-P226 HydrophobicContact CZ-CB 4.4Å; P226-Q228 PolarHBondContact O-N 3.13Å; P226-Q228 VanDerWaalsContact O-N 3.17Å; P226-I229 HydrophobicContact CB-CG1 4.27Å; P226-I229 HydrophobicContact CG-CG1 4.35Å; P226-I229 WeakPolarHBondContact O-CB 3.43Å; P226-I229 PolarHBondContact O-N 2.96Å; P226-L230 PolarHBondContact O-N 3.42Å; P226-L230 VanDerWaalsContact O-N 3.1Å
227Q93.6Very high93.4Very high117 Ų11757 Ų5755%0.54727%0.271SS..Hα-helixtrans-56.2-37.1-176.5-172.5178.66.300112.5P208 I229 L230 Q231P208-Q227 HydrophobicContact CB-CG 4.35Å; Q227-I229 VanDerWaalsContact C-N 3.32Å; Q227-I229 PolarHBondContact O-N 2.95Å; Q227-L230 WeakPolarHBondContact O-CB 3.46Å; Q227-L230 PolarHBondContact O-N 2.88Å; Q227-Q231 WeakPolarHBondContact O-CB 3.29Å; Q227-Q231 PolarHBondContact O-N 2.76Å
228Q93.2Very high93.3Very high65 Ų6559.5 Ų59.530%0.30428%0.283SS..Hα-helixtrans-66.3-33.5177.9-6676.510.100112.4F27 L28 P31 P226 Q231 G232F27-Q228 HydrophobicContact CD1-CB 4.09Å; F27-Q228 HydrophobicContact CD1-CG 4Å; F27-Q228 HydrophobicContact CD2-CB 4.44Å; F27-Q228 HydrophobicContact CE1-CB 3.55Å; F27-Q228 HydrophobicContact CE1-CG 3.54Å; F27-Q228 HydrophobicContact CE2-CB 3.94Å; F27-Q228 HydrophobicContact CZ-CB 3.47Å; F27-Q228 VanDerWaalsContact CZ-CB 3.47Å; F27-Q228 HydrophobicContact CZ-CG 4Å; L28-Q228 HydrophobicContact CD2-CG 4.36Å; P31-Q228 WeakPolarHBondContact CB-O 3.5Å; P226-Q228 PolarHBondContact O-N 3.13Å; P226-Q228 VanDerWaalsContact O-N 3.17Å; Q228-Q231 PolarHBondContact O-N 3.27Å; Q228-G232 PolarHBondContact O-N 3.21Å
229I93.7Very high93.1Very high51 Ų5163.5 Ų63.526%0.26231%0.309SS..Hα-helixtrans-70.4-41.6173.7-62.3-62.4000110F27 I35 V225 P226 Q227 Q231 G232 L233F27-I229 HydrophobicContact CD2-CD1 4.49Å; F27-I229 HydrophobicContact CE2-CD1 3.81Å; F27-I229 HydrophobicContact CE2-CG1 4.07Å; I35-I229 HydrophobicContact CD1-CG2 4.43Å; V225-I229 HydrophobicContact CG1-CB 3.66Å; V225-I229 HydrophobicContact CG1-CG2 3.5Å; P226-I229 HydrophobicContact CB-CG1 4.27Å; P226-I229 HydrophobicContact CG-CG1 4.35Å; P226-I229 WeakPolarHBondContact O-CB 3.43Å; P226-I229 PolarHBondContact O-N 2.96Å; Q227-I229 VanDerWaalsContact C-N 3.32Å; Q227-I229 PolarHBondContact O-N 2.95Å; I229-Q231 VanDerWaalsContact C-N 3.32Å; I229-Q231 PolarHBondContact O-N 3.45Å; I229-G232 PolarHBondContact O-N 3.07Å; I229-L233 HydrophobicContact CG2-CD1 4.14Å; I229-L233 VanDerWaalsContact O-CG 3.28Å; I229-L233 WeakPolarHBondContact O-CG 3.1Å; I229-L233 PolarHBondContact O-N 3.42Å
230L96.2Very high93Very high17 Ų1764.7 Ų64.79%0.08932%0.315CS..Hα-helixtrans-59.4-44.3173.3-66.8171.4000111.1P208 M211 A212 L215 V225 P226 Q227 L233 V234P208-L230 HydrophobicContact CB-CB 3.84Å; M211-L230 HydrophobicContact CB-CD2 4.29Å; M211-L230 HydrophobicContact CG-CD2 3.87Å; A212-L230 HydrophobicContact CB-CD1 4.04Å; A212-L230 HydrophobicContact CB-CD2 4.45Å; L215-L230 HydrophobicContact CD1-CD2 3.88Å; V225-L230 HydrophobicContact CB-CD1 4.49Å; V225-L230 HydrophobicContact CB-CD2 3.92Å; V225-L230 HydrophobicContact CB-CG 4Å; V225-L230 HydrophobicContact CG1-CD2 3.88Å; V225-L230 HydrophobicContact CG1-CG 3.82Å; P226-L230 PolarHBondContact O-N 3.42Å; P226-L230 VanDerWaalsContact O-N 3.1Å; Q227-L230 WeakPolarHBondContact O-CB 3.46Å; Q227-L230 PolarHBondContact O-N 2.88Å; L230-L233 PolarHBondContact O-N 2.87Å; L230-V234 VanDerWaalsContact O-CG2 3.32Å; L230-V234 WeakPolarHBondContact O-CG2 3.25Å; L230-V234 PolarHBondContact O-N 2.78Å
231Q96.6Very high92.9Very high64 Ų6460.1 Ų60.130%0.29930%0.297SS..Hα-helixtrans-59.9-48.2175.2-171.763.856.300111.3P31 P208 Q227 Q228 I229 L233 V234 D235P31-Q231 HydrophobicContact CG-CB 4.29Å; P31-Q231 HydrophobicContact CG-CG 4.08Å; P208-Q231 HydrophobicContact CG-CB 4.2Å; Q227-Q231 WeakPolarHBondContact O-CB 3.29Å; Q227-Q231 PolarHBondContact O-N 2.76Å; Q228-Q231 PolarHBondContact O-N 3.27Å; I229-Q231 VanDerWaalsContact C-N 3.32Å; I229-Q231 PolarHBondContact O-N 3.45Å; Q231-L233 VanDerWaalsContact C-N 3.27Å; Q231-L233 PolarHBondContact O-N 3.23Å; Q231-V234 WeakPolarHBondContact O-CB 3.46Å; Q231-V234 PolarHBondContact O-N 3.17Å; Q231-D235 PolarHBondContact NE2-OD1 2.77Å; Q231-D235 WeakPolarHBondContact O-CB 3.33Å; Q231-D235 PolarHBondContact O-N 2.99Å
232G96.4Very high93Very high0 Ų063.2 Ų63.20%031%0.311CS..Hα-helixtrans-60-36.9177.300000113.3Q228 I229 V236Q228-G232 PolarHBondContact O-N 3.21Å; I229-G232 PolarHBondContact O-N 3.07Å; G232-V236 WeakPolarHBondContact O-CG1 3.42Å; G232-V236 WeakPolarHBondContact O-CG2 3.39Å; G232-V236 PolarHBondContact O-N 3.26Å
233L95.7Very high93.3Very high33 Ų3358 Ų5817%0.17329%0.293CS..Hα-helixtrans-68-35.8174.9-70168.7000112.2I35 M211 I229 L230 Q231 V236 R237I35-L233 HydrophobicContact CD1-CD2 4.08Å; I35-L233 HydrophobicContact CD1-CG 4.21Å; I35-L233 HydrophobicContact CG1-CD2 4.44Å; I35-L233 HydrophobicContact CG2-CD2 4.26Å; M211-L233 HydrophobicContact CE-CB 3.97Å; M211-L233 HydrophobicContact CE-CD1 3.79Å; M211-L233 HydrophobicContact CE-CG 4.36Å; M211-L233 HydrophobicContact CG-CB 4.25Å; M211-L233 HydrophobicContact SD-CB 4.43Å; I229-L233 HydrophobicContact CG2-CD1 4.14Å; I229-L233 VanDerWaalsContact O-CG 3.28Å; I229-L233 WeakPolarHBondContact O-CG 3.1Å; I229-L233 PolarHBondContact O-N 3.42Å; L230-L233 PolarHBondContact O-N 2.87Å; Q231-L233 VanDerWaalsContact C-N 3.27Å; Q231-L233 PolarHBondContact O-N 3.23Å; L233-V236 VanDerWaalsContact O-CG2 3.27Å; L233-V236 WeakPolarHBondContact O-CG2 3.2Å; L233-R237 WeakPolarHBondContact O-CD 3.43Å; L233-R237 WeakPolarHBondContact O-CG 3.48Å
234V96.3Very high94Very high0 Ų053.1 Ų53.10%027%0.271CS..Hα-helixtrans-70-47.9174.71690000110.8S206 T207 M211 L230 Q231 V236 R237 I238S206-V234 WeakPolarHBondContact O-CG1 3.37Å; T207-V234 WeakPolarHBondContact O-CG2 3.42Å; M211-V234 HydrophobicContact CB-CG2 3.6Å; M211-V234 HydrophobicContact CG-CG2 4.19Å; L230-V234 VanDerWaalsContact O-CG2 3.32Å; L230-V234 WeakPolarHBondContact O-CG2 3.25Å; L230-V234 PolarHBondContact O-N 2.78Å; Q231-V234 WeakPolarHBondContact O-CB 3.46Å; Q231-V234 PolarHBondContact O-N 3.17Å; V234-V236 VanDerWaalsContact C-N 3.29Å; V234-V236 PolarHBondContact O-N 2.69Å; V234-R237 CarbonylContact O-C 2.99Å; V234-R237 WeakPolarHBondContact O-CA 3.42Å; V234-R237 WeakPolarHBondContact O-CB 3.33Å; V234-R237 PolarHBondContact O-N 3Å; V234-I238 HydrophobicContact CG1-CD1 3.56Å; V234-I238 HydrophobicContact CG1-CG1 3.81Å; V234-I238 PolarHBondContact O-N 3.25Å
235D95.9Very high94.2Very high49 Ų4947 Ų4726%0.26224%0.242SC..Hα-helixtrans-58.5-37.7-177.4-70.6-11.3000112.8Q231 R237 P239Q231-D235 PolarHBondContact NE2-OD1 2.77Å; Q231-D235 WeakPolarHBondContact O-CB 3.33Å; Q231-D235 PolarHBondContact O-N 2.99Å; D235-R237 PolarHBondContact O-N 3.34Å; D235-P239 WeakPolarHBondContact O-CD 3.29Å
236V94.8Very high94.2Very high22 Ų2251.3 Ų51.313%0.13326%0.258CS..THydrogen-bonded Turntrans-72-18.7175.9-61.90000112.8I35 R36 G232 L233 V234 H240I35-V236 HydrophobicContact CB-CG1 4.24Å; I35-V236 HydrophobicContact CG2-CG1 4.21Å; I35-V236 HydrophobicContact CG2-CG2 4.23Å; R36-V236 HydrophobicContact CG-CG1 4.31Å; G232-V236 WeakPolarHBondContact O-CG1 3.42Å; G232-V236 WeakPolarHBondContact O-CG2 3.39Å; G232-V236 PolarHBondContact O-N 3.26Å; L233-V236 VanDerWaalsContact O-CG2 3.27Å; L233-V236 WeakPolarHBondContact O-CG2 3.2Å; V234-V236 VanDerWaalsContact C-N 3.29Å; V234-V236 PolarHBondContact O-N 2.69Å; V236-H240 PolarHBondContact O-CD2 3.34Å
237R94.2Very high94.3Very high25 Ų2548 Ų489%0.09424%0.236CC..THydrogen-bonded Turntrans-98-35.8-177-65.6167.275.580.1-1113.1S81 L203 L233 V234 D235 P239 H240 N241S81-R237 VanDerWaalsContact O-CZ 3.3Å; S81-R237 PolarHBondContact O-NH1 3.16Å; S81-R237 PolarHBondContact O-NH2 3Å; S81-R237 PolarHBondContact OG-NH2 2.87Å; L203-R237 PolarHBondContact O-NH2 3.48Å; L233-R237 WeakPolarHBondContact O-CD 3.43Å; L233-R237 WeakPolarHBondContact O-CG 3.48Å; V234-R237 CarbonylContact O-C 2.99Å; V234-R237 WeakPolarHBondContact O-CA 3.42Å; V234-R237 WeakPolarHBondContact O-CB 3.33Å; V234-R237 PolarHBondContact O-N 3Å; D235-R237 PolarHBondContact O-N 3.34Å; R237-P239 VanDerWaalsContact C-N 3.31Å; R237-P239 VanDerWaalsContact O-N 3.15Å; R237-H240 WeakPolarHBondContact O-CA 3.49Å; R237-H240 WeakPolarHBondContact O-CB 3.22Å; R237-H240 PolarHBondContact O-N 3.42Å; R237-N241 PolarHBondContact O-N 2.94Å; R237-N241 PolarHBondContact O-OD1 2.8Å
238I94.5Very high94.3Very high80 Ų8042.8 Ų42.841%0.4121%0.212SC..G310 helixtrans-45.3-47.5-176.8-81.8175.3000113V234 H240 N241V234-I238 HydrophobicContact CG1-CD1 3.56Å; V234-I238 HydrophobicContact CG1-CG1 3.81Å; V234-I238 PolarHBondContact O-N 3.25Å; I238-H240 PolarHBondContact O-N 3.27Å; I238-N241 PolarHBondContact O-N 2.95Å; I238-N241 VanDerWaalsContact O-N 3.09Å
239P94.3Very high94.2Very high92 Ų9243.1 Ų43.160%0.59722%0.215SC*.G310 helixtrans-59.6-16.2180-25.635.9000114.5D235 R237D235-P239 WeakPolarHBondContact O-CD 3.29Å; R237-P239 VanDerWaalsContact C-N 3.31Å; R237-P239 VanDerWaalsContact O-N 3.15Å
240H93.8Very high94.1Very high28 Ų2844.9 Ų44.913%0.1322%0.222CC..G310 helixtrans-105.3-13.1-177.5-54.1-67.9000113.8E109 R113 V236 R237 I238 D242 F243 Y244E109-H240 IonicContact OE1-CD2 3.29Å; E109-H240 IonicContact OE1-CG 3.28Å; E109-H240 IonicContact OE1-NE2 2.61Å; E109-H240 IonicContact OE2-NE2 3.85Å; R113-H240 PolarHBondContact NH1-ND1 3.29Å; R113-H240 PolarHBondContact NH2-ND1 3.1Å; V236-H240 PolarHBondContact O-CD2 3.34Å; R237-H240 WeakPolarHBondContact O-CA 3.49Å; R237-H240 WeakPolarHBondContact O-CB 3.22Å; R237-H240 PolarHBondContact O-N 3.42Å; I238-H240 PolarHBondContact O-N 3.27Å; H240-D242 PolarHBondContact O-N 3.15Å; H240-F243 PolarHBondContact O-N 3.21Å; H240-F243 VanDerWaalsContact O-N 3.1Å; H240-Y244 HydrophobicContact CB-CD2 3.9Å; H240-Y244 HydrophobicContact CB-CE1 4.28Å; H240-Y244 HydrophobicContact CB-CE2 3.44Å; H240-Y244 VanDerWaalsContact CB-CE2 3.44Å; H240-Y244 HydrophobicContact CB-CG 4.48Å; H240-Y244 PolarHBondContact O-N 3.09Å
241N93.7Very high93.8Very high4 Ų444.9 Ų44.92%0.02122%0.222CC..Hα-helixtrans-59.9-39.8-169-80.10.2000113.2I204 P205 S206 R237 I238 F243 Y244 R245I204-N241 HydrophobicContact CG2-CB 3.7Å; I204-N241 WeakPolarHBondContact CG2-OD1 3.44Å; P205-N241 PolarHBondContact O-ND2 2.82Å; S206-N241 PolarHBondContact OG-ND2 3.28Å; R237-N241 PolarHBondContact O-N 2.94Å; R237-N241 PolarHBondContact O-OD1 2.8Å; I238-N241 PolarHBondContact O-N 2.95Å; I238-N241 VanDerWaalsContact O-N 3.09Å; N241-F243 VanDerWaalsContact C-N 3.3Å; N241-F243 PolarHBondContact O-N 2.87Å; N241-Y244 PolarHBondContact O-N 3.32Å; N241-R245 WeakPolarHBondContact O-CG 3.23Å; N241-R245 PolarHBondContact O-N 3.42Å
242D92.1Very high93.6Very high115 Ų11543.2 Ų43.262%0.61522%0.216SC*.Hα-helixtrans-62.3-38.7178.4-70.8-16.8000112.5H240 R245 K246H240-D242 PolarHBondContact O-N 3.15Å; D242-R245 IonicContact OD1-NH1 2.84Å; D242-R245 PolarHBondContact OD1-NH1 3.41Å; D242-K246 PolarHBondContact O-N 2.87Å
243F93.2Very high93.3Very high29 Ų2946.5 Ų46.513%0.12723%0.234CC..Hα-helixtrans-72.7-39.6175.3-157.6-86.8000111.4G107 R113 Y119 H240 N241 R245 K246 L247G107-F243 WeakPolarHBondContact O-CD1 3.25Å; R113-F243 HydrophobicContact CB-CD2 4.16Å; R113-F243 HydrophobicContact CB-CE1 4.33Å; R113-F243 HydrophobicContact CB-CE2 3.7Å; R113-F243 HydrophobicContact CB-CZ 3.78Å; R113-F243 HydrophobicContact CG-CD1 4.1Å; R113-F243 HydrophobicContact CG-CD2 4.27Å; R113-F243 HydrophobicContact CG-CE1 3.92Å; R113-F243 HydrophobicContact CG-CE2 4.08Å; R113-F243 HydrophobicContact CG-CG 4.26Å; R113-F243 HydrophobicContact CG-CZ 3.89Å; Y119-F243 HydrophobicContact CD2-CZ 4.33Å; Y119-F243 HydrophobicContact CE1-CE1 4.3Å; Y119-F243 HydrophobicContact CE1-CZ 4.4Å; Y119-F243 AromaticContact CE2-CE1 3.97Å; Y119-F243 HydrophobicContact CE2-CE1 3.97Å; Y119-F243 AromaticContact CE2-CZ 3.45Å; Y119-F243 HydrophobicContact CE2-CZ 3.45Å; Y119-F243 VanDerWaalsContact CE2-CZ 3.45Å; Y119-F243 AromaticContact CZ-CE1 3.85Å; Y119-F243 AromaticContact CZ-CZ 3.52Å; H240-F243 PolarHBondContact O-N 3.21Å; H240-F243 VanDerWaalsContact O-N 3.1Å; N241-F243 VanDerWaalsContact C-N 3.3Å; N241-F243 PolarHBondContact O-N 2.87Å; F243-R245 VanDerWaalsContact C-N 3.26Å; F243-R245 PolarHBondContact O-N 3.17Å; F243-K246 PolarHBondContact O-N 3.46Å; F243-K246 VanDerWaalsContact O-N 3.16Å; F243-L247 WeakPolarHBondContact O-CB 3.42Å; F243-L247 PolarHBondContact O-N 2.8Å
244Y94.8Very high92.8Very high0 Ų051.2 Ų51.20%026%0.255CS..Hα-helixtrans-60.8-34.3174.9-68.4-21.7000112.4F80 H108 E109 R113 H240 N241 L247 F248F80-Y244 WeakPolarHBondContact CE2-O 3.48Å; F80-Y244 VanDerWaalsContact CZ-O 3.29Å; F80-Y244 WeakPolarHBondContact CZ-O 3.4Å; H108-Y244 HydrophobicContact CB-CE1 4.28Å; H108-Y244 AromaticContact CD2-CE1 3.3Å; H108-Y244 WeakPolarHBondContact CD2-CE1 3.37Å; H108-Y244 AromaticContact CD2-CZ 3.73Å; H108-Y244 AromaticContact CG-CE1 3.82Å; H108-Y244 AromaticContact NE2-CE1 3.91Å; E109-Y244 PolarHBondContact OE1-OH 3.22Å; R113-Y244 VanDerWaalsContact NH2-CE1 3.29Å; R113-Y244 PolarHBondContact NH2-OH 2.85Å; H240-Y244 HydrophobicContact CB-CD2 3.9Å; H240-Y244 HydrophobicContact CB-CE1 4.28Å; H240-Y244 HydrophobicContact CB-CE2 3.44Å; H240-Y244 VanDerWaalsContact CB-CE2 3.44Å; H240-Y244 HydrophobicContact CB-CG 4.48Å; H240-Y244 PolarHBondContact O-N 3.09Å; N241-Y244 PolarHBondContact O-N 3.32Å; Y244-L247 PolarHBondContact O-N 3.32Å; Y244-F248 WeakPolarHBondContact O-CB 3.3Å; Y244-F248 PolarHBondContact O-N 2.86Å
245R92.6Very high92.5Very high83 Ų8358.8 Ų58.831%0.31329%0.288SS..Hα-helixtrans-61.8-48.4172.5-70.5-179.1-176.3106.21.6111.5I201 I204 N241 D242 F243 F248 L249I201-R245 HydrophobicContact CD1-CG 4.25Å; I204-R245 HydrophobicContact CD1-CB 4.37Å; I204-R245 HydrophobicContact CD1-CG 3.79Å; N241-R245 WeakPolarHBondContact O-CG 3.23Å; N241-R245 PolarHBondContact O-N 3.42Å; D242-R245 IonicContact OD1-NH1 2.84Å; D242-R245 PolarHBondContact OD1-NH1 3.41Å; F243-R245 VanDerWaalsContact C-N 3.26Å; F243-R245 PolarHBondContact O-N 3.17Å; R245-F248 PolarHBondContact O-N 3.41Å; R245-L249 WeakPolarHBondContact O-CG 3.16Å; R245-L249 PolarHBondContact O-N 3.5Å; R245-L249 VanDerWaalsContact O-N 3.17Å
246K91.1Very high92.3Very high132 Ų13256.5 Ų56.557%0.57428%0.276SS*.Hα-helixtrans-58.9-49.8177-64.5179.6-177.4-176.70111.3D242 F243 F248 L249 E250D242-K246 PolarHBondContact O-N 2.87Å; F243-K246 PolarHBondContact O-N 3.46Å; F243-K246 VanDerWaalsContact O-N 3.16Å; K246-F248 VanDerWaalsContact C-N 3.32Å; K246-F248 PolarHBondContact O-N 3.34Å; K246-L249 PolarHBondContact O-N 2.64Å; K246-E250 PolarHBondContact O-N 3.11Å
247L93.2Very high92.1Very high1 Ų159.6 Ų59.61%0.00529%0.285CS..Hα-helixtrans-62.2-39.2179.317757.5000112.3F80 H108 Y119 F243 Y244 L249 E250 I251F80-L247 HydrophobicContact CD2-CG 4.43Å; F80-L247 HydrophobicContact CE2-CB 4.39Å; F80-L247 HydrophobicContact CE2-CD2 4.41Å; F80-L247 HydrophobicContact CE2-CG 4.19Å; H108-L247 WeakPolarHBondContact CE1-CD2 3.26Å; Y119-L247 HydrophobicContact CD1-CD1 4.01Å; Y119-L247 HydrophobicContact CG-CD1 3.97Å; F243-L247 WeakPolarHBondContact O-CB 3.42Å; F243-L247 PolarHBondContact O-N 2.8Å; Y244-L247 PolarHBondContact O-N 3.32Å; L247-L249 VanDerWaalsContact C-N 3.33Å; L247-L249 PolarHBondContact O-N 3.43Å; L247-E250 PolarHBondContact O-N 3.05Å; L247-I251 HydrophobicContact CD1-CD1 3.83Å; L247-I251 HydrophobicContact CD1-CG1 4.18Å; L247-I251 HydrophobicContact CG-CD1 3.72Å; L247-I251 VanDerWaalsContact O-CD1 3.31Å; L247-I251 WeakPolarHBondContact O-CD1 3.27Å; L247-I251 VanDerWaalsContact O-CG1 3.26Å; L247-I251 WeakPolarHBondContact O-CG1 3.27Å; L247-I251 PolarHBondContact O-N 3.38Å
248F93.8Very high92.2Very high9 Ų959.7 Ų59.74%0.03929%0.286CS..Hα-helixtrans-60.4-44.6177.2-173.3-101.3000111.4F80 L188 I198 I201 L203 I204 Y244 R245 K246 E250 I251 V252F80-F248 AromaticContact CD1-CD2 3.99Å; F80-F248 HydrophobicContact CD1-CD2 3.99Å; F80-F248 HydrophobicContact CD2-CD2 4.47Å; F80-F248 HydrophobicContact CE1-CB 4.33Å; F80-F248 AromaticContact CE1-CD2 3.63Å; F80-F248 HydrophobicContact CE1-CD2 3.63Å; F80-F248 HydrophobicContact CE1-CE2 4.42Å; F80-F248 HydrophobicContact CE1-CG 4.36Å; F80-F248 HydrophobicContact CE2-CB 3.8Å; F80-F248 HydrophobicContact CE2-CD2 4.14Å; F80-F248 HydrophobicContact CE2-CG 4.49Å; F80-F248 HydrophobicContact CG-CD2 4.4Å; F80-F248 HydrophobicContact CZ-CB 3.58Å; F80-F248 AromaticContact CZ-CD2 3.73Å; F80-F248 HydrophobicContact CZ-CD2 3.73Å; F80-F248 HydrophobicContact CZ-CG 4.08Å; L188-F248 HydrophobicContact CD1-CE1 3.62Å; L188-F248 HydrophobicContact CD1-CZ 3.9Å; L188-F248 HydrophobicContact CD2-CE1 4.25Å; L188-F248 HydrophobicContact CD2-CZ 3.8Å; I198-F248 HydrophobicContact CD1-CD1 4.19Å; I198-F248 HydrophobicContact CD1-CE1 3.82Å; I201-F248 HydrophobicContact CD1-CB 4.13Å; I201-F248 HydrophobicContact CD1-CD1 3.45Å; I201-F248 VanDerWaalsContact CD1-CD1 3.45Å; I201-F248 HydrophobicContact CD1-CE1 4.05Å; I201-F248 HydrophobicContact CD1-CG 3.95Å; I201-F248 HydrophobicContact CG1-CD1 3.99Å; I201-F248 HydrophobicContact CG1-CE1 4.07Å; I201-F248 HydrophobicContact CG2-CD1 3.97Å; I201-F248 HydrophobicContact CG2-CD2 4.06Å; I201-F248 HydrophobicContact CG2-CE1 3.78Å; I201-F248 HydrophobicContact CG2-CE2 3.91Å; I201-F248 HydrophobicContact CG2-CG 4.08Å; I201-F248 HydrophobicContact CG2-CZ 3.75Å; L203-F248 HydrophobicContact CD1-CE2 4.14Å; I204-F248 HydrophobicContact CD1-CB 4.32Å; Y244-F248 WeakPolarHBondContact O-CB 3.3Å; Y244-F248 PolarHBondContact O-N 2.86Å; R245-F248 PolarHBondContact O-N 3.41Å; K246-F248 VanDerWaalsContact C-N 3.32Å; K246-F248 PolarHBondContact O-N 3.34Å; F248-E250 VanDerWaalsContact C-N 3.34Å; F248-E250 PolarHBondContact O-N 2.88Å; F248-I251 PolarHBondContact O-N 2.73Å; F248-I251 VanDerWaalsContact O-N 3.16Å; F248-V252 HydrophobicContact CD1-CG1 4.26Å; F248-V252 HydrophobicContact CD1-CG2 4.35Å; F248-V252 HydrophobicContact CD2-CG1 4.42Å; F248-V252 HydrophobicContact CE1-CG1 3.89Å; F248-V252 HydrophobicContact CE1-CG2 4.3Å; F248-V252 HydrophobicContact CE2-CG1 4.04Å; F248-V252 HydrophobicContact CZ-CG1 3.77Å; F248-V252 WeakPolarHBondContact O-CG1 3.32Å; F248-V252 WeakPolarHBondContact O-CG2 3.29Å; F248-V252 PolarHBondContact O-N 3.46Å
249L91.1Very high92.4Very high72 Ų7255.9 Ų55.938%0.37727%0.267SS..Hα-helixtrans-60.4-42.2177.5-66.1174.4000111.7L192 I198 R245 K246 L247 I251 V252 D253L192-L249 HydrophobicContact CD2-CD2 4.01Å; I198-L249 HydrophobicContact CD1-CD2 4.1Å; R245-L249 WeakPolarHBondContact O-CG 3.16Å; R245-L249 PolarHBondContact O-N 3.5Å; R245-L249 VanDerWaalsContact O-N 3.17Å; K246-L249 PolarHBondContact O-N 2.64Å; L247-L249 VanDerWaalsContact C-N 3.33Å; L247-L249 PolarHBondContact O-N 3.43Å; L249-I251 VanDerWaalsContact C-N 3.32Å; L249-I251 PolarHBondContact O-N 2.9Å; L249-V252 PolarHBondContact O-N 2.95Å; L249-D253 WeakPolarHBondContact O-CB 3.24Å; L249-D253 PolarHBondContact O-N 3.15Å
250E91.6Very high92.6Very high88 Ų8851.5 Ų51.541%0.41124%0.238SC..Hα-helixtrans-62.8-34.9174.9-70.8-69.8152.500113.2K246 L247 F248 S256K246-E250 PolarHBondContact O-N 3.11Å; L247-E250 PolarHBondContact O-N 3.05Å; F248-E250 VanDerWaalsContact C-N 3.34Å; F248-E250 PolarHBondContact O-N 2.88Å; E250-S256 WeakPolarHBondContact O-CB 3.44Å; E250-S256 PolarHBondContact O-OG 2.9Å
251I91.3Very high92.8Very high16 Ų1653.2 Ų53.28%0.08225%0.246CC..Hα-helixtrans-76.1-35.5-179.4-68.5157.9000112F80 I121 M149 L247 F248 L249 S256 R257F80-I251 HydrophobicContact CD2-CD1 3.63Å; F80-I251 HydrophobicContact CE2-CD1 4.25Å; F80-I251 HydrophobicContact CG-CD1 4.49Å; I121-I251 HydrophobicContact CD1-CG1 4.41Å; I121-I251 HydrophobicContact CD1-CG2 4.32Å; M149-I251 HydrophobicContact CG-CD1 3.84Å; M149-I251 HydrophobicContact CG-CG1 4.34Å; M149-I251 HydrophobicContact CG-CG2 4.46Å; M149-I251 HydrophobicContact SD-CD1 3.27Å; M149-I251 WeakPolarHBondContact SD-CD1 3.31Å; M149-I251 HydrophobicContact SD-CG1 4.24Å; L247-I251 HydrophobicContact CD1-CD1 3.83Å; L247-I251 HydrophobicContact CD1-CG1 4.18Å; L247-I251 HydrophobicContact CG-CD1 3.72Å; L247-I251 VanDerWaalsContact O-CD1 3.31Å; L247-I251 WeakPolarHBondContact O-CD1 3.27Å; L247-I251 VanDerWaalsContact O-CG1 3.26Å; L247-I251 WeakPolarHBondContact O-CG1 3.27Å; L247-I251 PolarHBondContact O-N 3.38Å; F248-I251 PolarHBondContact O-N 2.73Å; F248-I251 VanDerWaalsContact O-N 3.16Å; L249-I251 VanDerWaalsContact C-N 3.32Å; L249-I251 PolarHBondContact O-N 2.9Å; I251-S256 CarbonylContact O-C 3.55Å; I251-S256 WeakPolarHBondContact O-CB 3.21Å; I251-R257 PolarHBondContact O-N 2.85Å
252V90.4Very high92.9Very high29 Ų2958.1 Ų58.118%0.17627%0.269CS..Hα-helixtrans-91.3-7.4-178.7-54.50000113.1L188 L192 F248 L249L188-V252 HydrophobicContact CD2-CG1 4.14Å; L192-V252 HydrophobicContact CD1-CB 4.44Å; L192-V252 HydrophobicContact CD1-CG2 3.77Å; F248-V252 HydrophobicContact CD1-CG1 4.26Å; F248-V252 HydrophobicContact CD1-CG2 4.35Å; F248-V252 HydrophobicContact CD2-CG1 4.42Å; F248-V252 HydrophobicContact CE1-CG1 3.89Å; F248-V252 HydrophobicContact CE1-CG2 4.3Å; F248-V252 HydrophobicContact CE2-CG1 4.04Å; F248-V252 HydrophobicContact CZ-CG1 3.77Å; F248-V252 WeakPolarHBondContact O-CG1 3.32Å; F248-V252 WeakPolarHBondContact O-CG2 3.29Å; F248-V252 PolarHBondContact O-N 3.46Å; L249-V252 PolarHBondContact O-N 2.95Å
253D90.9Very high93.2Very high69 Ų6953.9 Ų53.937%0.36925%0.246SC..SBendtrans-55.5154.6170.4-177.365.7000112L249 K255 S256 R257L249-D253 WeakPolarHBondContact O-CB 3.24Å; L249-D253 PolarHBondContact O-N 3.15Å; D253-K255 PolarHBondContact O-N 2.91Å; D253-K255 VanDerWaalsContact O-N 3.17Å; D253-K255 WeakPolarHBondContact OD2-CB 3.16Å; D253-K255 WeakPolarHBondContact OD2-CG 3.44Å; D253-K255 PolarHBondContact OD2-N 3.39Å; D253-S256 PolarHBondContact O-N 3Å; D253-R257 WeakPolarHBondContact O-CB 3.19Å; D253-R257 WeakPolarHBondContact O-CG 3.28Å; D253-R257 PolarHBondContact O-N 3.2Å
254E86.1Confident93.4Very high132 Ų13253.4 Ų53.462%0.61724%0.244SC*.THydrogen-bonded Turntrans-54.3-36.1-178.6-57.2-155.3125.100113.8S256 R257E254-S256 PolarHBondContact O-N 3.16Å; E254-R257 IonicContact OE1-CZ 3.84Å; E254-R257 IonicContact OE1-NH2 3.55Å; E254-R257 PolarHBondContact OE1-NH2 3.5Å
255K88.3Confident93.5Very high160 Ų16057.8 Ų57.870%0.69628%0.275SS*.THydrogen-bonded Turntrans-71.8-18-179.7-62.1175.9-176.3174.60113.7D253 S259D253-K255 PolarHBondContact O-N 2.91Å; D253-K255 VanDerWaalsContact O-N 3.17Å; D253-K255 WeakPolarHBondContact OD2-CB 3.16Å; D253-K255 WeakPolarHBondContact OD2-CG 3.44Å; D253-K255 PolarHBondContact OD2-N 3.39Å; K255-S259 PolarHBondContact O-OG 3.3Å; K255-S259 VanDerWaalsContact O-OG 3.13Å
256S92.5Very high93.7Very high0 Ų059.8 Ų59.80%029%0.286CS..THydrogen-bonded Turntrans-115.3-34.3-171.3-72.70000113.6S120 I121 N152 E250 I251 D253 E254 H258 S259S120-S256 VanDerWaalsContact CA-OG 3.3Å; S120-S256 WeakPolarHBondContact CA-OG 3.45Å; S120-S256 WeakPolarHBondContact CB-OG 3.46Å; I121-S256 PolarHBondContact N-OG 3.45Å; N152-S256 PolarHBondContact ND2-O 3.49Å; E250-S256 WeakPolarHBondContact O-CB 3.44Å; E250-S256 PolarHBondContact O-OG 2.9Å; I251-S256 CarbonylContact O-C 3.55Å; I251-S256 WeakPolarHBondContact O-CB 3.21Å; D253-S256 PolarHBondContact O-N 3Å; E254-S256 PolarHBondContact O-N 3.16Å; S256-H258 PolarHBondContact O-N 2.74Å; S256-S259 WeakPolarHBondContact CA-OG 3.35Å; S256-S259 PolarHBondContact O-N 2.88Å; S256-S259 PolarHBondContact O-OG 2.81Å; S256-S259 VanDerWaalsContact O-OG 3.13Å
257R91.6Very high94.1Very high88 Ų8853.9 Ų53.933%0.33226%0.26SS..THydrogen-bonded Turntrans-60.6-22.6-168.862.7177161.798-3.7114.1G175 I251 D253 E254G175-R257 CarbonylContact C-O 3.58Å; G175-R257 VanDerWaalsContact CA-O 3.25Å; G175-R257 WeakPolarHBondContact CA-O 3.15Å; I251-R257 PolarHBondContact O-N 2.85Å; D253-R257 WeakPolarHBondContact O-CB 3.19Å; D253-R257 WeakPolarHBondContact O-CG 3.28Å; D253-R257 PolarHBondContact O-N 3.2Å; E254-R257 IonicContact OE1-CZ 3.84Å; E254-R257 IonicContact OE1-NH2 3.55Å; E254-R257 PolarHBondContact OE1-NH2 3.5Å
258H96.2Very high94.2Very high26 Ų2661.2 Ų61.212%0.1229%0.292CS..THydrogen-bonded Turntrans-125.914.2-176.6-60.9-24.7000114.2G175 V177 S256 L260 H261 E262G175-H258 CarbonylContact O-C 3.48Å; G175-H258 VanDerWaalsContact O-CA 3.26Å; G175-H258 WeakPolarHBondContact O-CA 3.02Å; V177-H258 HydrophobicContact CG2-CB 4.17Å; S256-H258 PolarHBondContact O-N 2.74Å; H258-L260 VanDerWaalsContact C-N 3.33Å; H258-L260 PolarHBondContact O-N 3.29Å; H258-H261 HydrophobicContact CB-CB 4.48Å; H258-H261 WeakPolarHBondContact O-CA 3.35Å; H258-H261 VanDerWaalsContact O-CB 3.31Å; H258-H261 WeakPolarHBondContact O-CB 3.27Å; H258-H261 PolarHBondContact O-N 2.94Å; H258-E262 WeakPolarHBondContact O-CG 3.42Å; H258-E262 PolarHBondContact O-N 2.84Å; H258-E262 VanDerWaalsContact O-N 3.11Å
259S97.7Very high94.4Very high0 Ų061 Ų610%029%0.292CS..Hα-helixtrans-58.9-39.3-172.9-52.60000113.5K255 S256 H261 E262 H263K255-S259 PolarHBondContact O-OG 3.3Å; K255-S259 VanDerWaalsContact O-OG 3.13Å; S256-S259 WeakPolarHBondContact CA-OG 3.35Å; S256-S259 PolarHBondContact O-N 2.88Å; S256-S259 PolarHBondContact O-OG 2.81Å; S256-S259 VanDerWaalsContact O-OG 3.13Å; S259-H261 VanDerWaalsContact C-N 3.35Å; S259-H261 PolarHBondContact O-N 2.92Å; S259-E262 PolarHBondContact O-N 3.26Å; S259-H263 WeakPolarHBondContact O-CB 3.47Å; S259-H263 PolarHBondContact O-N 2.9Å; S259-H263 VanDerWaalsContact O-N 3.16Å; S259-H263 PolarHBondContact O-ND1 2.74Å
260L98.3Very high94.7Very high0 Ų059.5 Ų59.50%029%0.287CS..Hα-helixtrans-61.3-43.2174.6179.556.7000111.9N152 L170 P173 A174 G175 L176 H258 E262 H263 M264 I267 L290N152-L260 VanDerWaalsContact OD1-CB 3.26Å; N152-L260 WeakPolarHBondContact OD1-CB 3.31Å; N152-L260 PolarHBondContact OD1-N 3.37Å; L170-L260 HydrophobicContact CD1-CD2 4.34Å; P173-L260 HydrophobicContact CB-CD2 3.65Å; P173-L260 HydrophobicContact CG-CD2 3.97Å; A174-L260 WeakPolarHBondContact O-CD2 3.5Å; G175-L260 PolarHBondContact O-N 3.06Å; L176-L260 HydrophobicContact CD2-CB 4.3Å; L176-L260 HydrophobicContact CD2-CD2 3.96Å; L176-L260 HydrophobicContact CD2-CG 3.85Å; L176-L260 HydrophobicContact CG-CD2 4.12Å; L176-L260 HydrophobicContact CG-CG 4.47Å; H258-L260 VanDerWaalsContact C-N 3.33Å; H258-L260 PolarHBondContact O-N 3.29Å; L260-E262 VanDerWaalsContact C-N 3.26Å; L260-E262 PolarHBondContact O-N 3.26Å; L260-H263 PolarHBondContact O-N 2.95Å; L260-H263 VanDerWaalsContact O-N 3.15Å; L260-M264 HydrophobicContact CD1-CB 4.49Å; L260-M264 VanDerWaalsContact O-CB 3.31Å; L260-M264 WeakPolarHBondContact O-CB 3.47Å; L260-M264 PolarHBondContact O-N 2.87Å; L260-I267 HydrophobicContact CD1-CD1 4.23Å; L260-L290 HydrophobicContact CD2-CD2 4.21Å; L260-L290 HydrophobicContact CG-CD2 4.36Å
261H97.8Very high95.1Very high64 Ų6455.3 Ų55.330%0.29627%0.267SS..Hα-helixtrans-60-38.6178.1-162.486.7000112.1G175 L176 V177 H258 S259 H263 M264G175-H261 PolarHBondContact O-N 2.87Å; L176-H261 HydrophobicContact CD2-CB 4.33Å; V177-H261 HydrophobicContact CG2-CB 4.4Å; H258-H261 HydrophobicContact CB-CB 4.48Å; H258-H261 WeakPolarHBondContact O-CA 3.35Å; H258-H261 VanDerWaalsContact O-CB 3.31Å; H258-H261 WeakPolarHBondContact O-CB 3.27Å; H258-H261 PolarHBondContact O-N 2.94Å; S259-H261 VanDerWaalsContact C-N 3.35Å; S259-H261 PolarHBondContact O-N 2.92Å; H261-H263 VanDerWaalsContact C-N 3.29Å; H261-H263 PolarHBondContact O-N 3.15Å; H261-M264 WeakPolarHBondContact O-CG 3.47Å
262E97.4Very high95.4Very high107 Ų10754.6 Ų54.650%0.526%0.263SS..Hα-helixtrans-71.9-24.2179.1-65.7168.6175.500113H258 S259 L260H258-E262 WeakPolarHBondContact O-CG 3.42Å; H258-E262 PolarHBondContact O-N 2.84Å; H258-E262 VanDerWaalsContact O-N 3.11Å; S259-E262 PolarHBondContact O-N 3.26Å; L260-E262 VanDerWaalsContact C-N 3.26Å; L260-E262 PolarHBondContact O-N 3.26Å
263H97.8Very high95.8Very high26 Ų2653.2 Ų53.212%0.1226%0.255CS..Hα-helixtrans-107.2-18.4-173.5-70.578.7000114.1V156 A159 S259 L260 H261 S265 K266V156-H263 HydrophobicContact CG2-CB 4.28Å; A159-H263 HydrophobicContact CB-CB 3.78Å; A159-H263 WeakPolarHBondContact CB-O 3.48Å; S259-H263 WeakPolarHBondContact O-CB 3.47Å; S259-H263 PolarHBondContact O-N 2.9Å; S259-H263 VanDerWaalsContact O-N 3.16Å; S259-H263 PolarHBondContact O-ND1 2.74Å; L260-H263 PolarHBondContact O-N 2.95Å; L260-H263 VanDerWaalsContact O-N 3.15Å; H261-H263 VanDerWaalsContact C-N 3.29Å; H261-H263 PolarHBondContact O-N 3.15Å; H263-S265 PolarHBondContact O-N 2.87Å; H263-S265 VanDerWaalsContact O-N 3.12Å; H263-K266 WeakPolarHBondContact O-CB 3.48Å; H263-K266 PolarHBondContact O-N 3.34Å
264M97Very high96.2Very high19 Ų1949.9 Ų49.99%0.09424%0.237CC..G310 helixtrans-58.6-30.9-17059.1-178.8-176.400114.3L176 L260 H261 K266 I267 I289 L290 A293L176-M264 HydrophobicContact CD2-SD 4.15Å; L260-M264 HydrophobicContact CD1-CB 4.49Å; L260-M264 VanDerWaalsContact O-CB 3.31Å; L260-M264 WeakPolarHBondContact O-CB 3.47Å; L260-M264 PolarHBondContact O-N 2.87Å; H261-M264 WeakPolarHBondContact O-CG 3.47Å; M264-K266 PolarHBondContact O-N 2.91Å; M264-I267 HydrophobicContact CB-CD1 4.34Å; M264-I267 WeakPolarHBondContact O-CB 3.2Å; M264-I267 PolarHBondContact O-N 3.13Å; M264-I289 HydrophobicContact CE-CG2 3.81Å; M264-I289 HydrophobicContact SD-CG2 3.91Å; M264-L290 HydrophobicContact CB-CD2 4.21Å; M264-L290 HydrophobicContact SD-CD2 4.23Å; M264-A293 HydrophobicContact CB-CB 4.27Å; M264-A293 HydrophobicContact CE-CB 3.66Å; M264-A293 HydrophobicContact CG-CB 3.63Å; M264-A293 HydrophobicContact SD-CB 3.45Å; M264-A293 WeakPolarHBondContact SD-CB 3.48Å
265S96.4Very high96.8Very high93 Ų9343.7 Ų43.765%0.6521%0.208SC*.G310 helixtrans-69.3-16.5177.2590000113.9H263H263-S265 PolarHBondContact O-N 2.87Å; H263-S265 VanDerWaalsContact O-N 3.12Å
266K97.4Very high97.3Very high125 Ų12536 Ų3654%0.54318%0.175SC..G310 helixtrans-92.8-7.5177.8-60.8174.4-176.7171.10112.7A159 H263 M264 K268A159-K266 HydrophobicContact CB-CB 3.94Å; H263-K266 WeakPolarHBondContact O-CB 3.48Å; H263-K266 PolarHBondContact O-N 3.34Å; M264-K266 PolarHBondContact O-N 2.91Å; K266-K268 PolarHBondContact O-N 2.56Å
267I98.4Very high97.6Very high7 Ų740.7 Ų40.74%0.03620%0.195CC..  trans-70115.8179.5-62.2174.2000108.9A158 A159 L168 L260 M264 I294A158-I267 HydrophobicContact CB-CG2 4.41Å; A159-I267 HydrophobicContact CB-CG1 4.05Å; L168-I267 HydrophobicContact CD2-CD1 3.95Å; L168-I267 HydrophobicContact CD2-CG2 4.03Å; L260-I267 HydrophobicContact CD1-CD1 4.23Å; M264-I267 HydrophobicContact CB-CD1 4.34Å; M264-I267 WeakPolarHBondContact O-CB 3.2Å; M264-I267 PolarHBondContact O-N 3.13Å; I267-I294 HydrophobicContact CB-CD1 4.43Å; I267-I294 HydrophobicContact CB-CG1 4.43Å; I267-I294 HydrophobicContact CD1-CD1 3.87Å; I267-I294 HydrophobicContact CG2-CD1 4.45Å; I267-I294 HydrophobicContact CG2-CG2 4.47Å
268K96.9Very high97.9Very high156 Ų15639 Ų3968%0.67819%0.191SC*.  trans-94.2-25.9178.7-61.1-176.5-1761730113.4P162 K266P162-K268 HydrophobicContact CB-CB 4.31Å; P162-K268 HydrophobicContact CB-CD 4.04Å; P162-K268 HydrophobicContact CB-CG 4.29Å; P162-K268 HydrophobicContact CG-CD 4.43Å; K266-K268 PolarHBondContact O-N 2.56Å
269A97.5Very high98Very high5 Ų538.4 Ų38.44%0.04119%0.189CC..SBendtrans-68.6142.7-174.600000111.6I165 T271I165-A269 HydrophobicContact CB-CB 4.16Å; I165-A269 HydrophobicContact CG2-CB 3.58Å; A269-T271 PolarHBondContact O-N 3.23Å; A269-T271 PolarHBondContact O-OG1 3.23Å
270P98.2Very high98Very high40 Ų4042.1 Ų42.126%0.2621%0.206SC..  trans-50.2129.4166-24.833.8000110.6S167 L168 T296 F324 L328S167-P270 WeakPolarHBondContact CA-O 3.29Å; L168-P270 PolarHBondContact N-O 2.95Å; P270-T296 WeakPolarHBondContact CA-OG1 3.49Å; P270-F324 HydrophobicContact CB-CZ 4.07Å; P270-L328 HydrophobicContact CB-CD1 4.19Å; P270-L328 HydrophobicContact CB-CD2 3.49Å; P270-L328 VanDerWaalsContact CB-CD2 3.49Å; P270-L328 HydrophobicContact CG-CD2 3.86Å
271T98.8Very high97.9Very high0 Ų042.3 Ų42.30%021%0.207CC..EExtended strand (participates in β ladder)trans-121.9134.2-170.1-62.60000111.3L168 L170 A269 V273 I294 T296 C297 H298L168-T271 HydrophobicContact CB-CG2 4.33Å; L168-T271 HydrophobicContact CD2-CG2 4.17Å; L168-T271 HydrophobicContact CG-CG2 4.32Å; L168-T271 CarbonylContact O-C 3.58Å; L168-T271 VanDerWaalsContact O-CA 3.28Å; L168-T271 WeakPolarHBondContact O-CA 3.07Å; L170-T271 HydrophobicContact CD1-CG2 4.28Å; L170-T271 HydrophobicContact CG-CG2 4.43Å; A269-T271 PolarHBondContact O-N 3.23Å; A269-T271 PolarHBondContact O-OG1 3.23Å; T271-V273 HydrophobicContact CG2-CG2 4.25Å; T271-I294 HydrophobicContact CG2-CD1 4.05Å; T271-T296 PolarHBondContact N-O 2.98Å; T271-C297 CarbonylContact O-C 3.16Å; T271-C297 VanDerWaalsContact O-CA 3.28Å; T271-C297 WeakPolarHBondContact O-CA 3.46Å; T271-H298 PolarHBondContact O-N 3.47Å
272Q98.8Very high97.9Very high0 Ų040.4 Ų40.40%020%0.199CC..EExtended strand (participates in β ladder)trans-109.1131.3167175.3177.661.400109.2L168 T169 L170 I274 H298 Y300 L320 F324L168-Q272 PolarHBondContact O-N 2.82Å; T169-Q272 CarbonylContact C-O 3.57Å; T169-Q272 VanDerWaalsContact CA-O 3.32Å; T169-Q272 WeakPolarHBondContact CA-O 3.28Å; T169-Q272 HydrophobicContact CG2-CB 4.42Å; T169-Q272 HydrophobicContact CG2-CG 4.42Å; L170-Q272 PolarHBondContact N-O 2.93Å; Q272-I274 HydrophobicContact CG-CD1 4.42Å; Q272-I274 HydrophobicContact CG-CG1 3.98Å; Q272-H298 CarbonylContact C-O 3.58Å; Q272-H298 WeakPolarHBondContact CA-O 3.42Å; Q272-Y300 HydrophobicContact CG-CD2 3.81Å; Q272-Y300 HydrophobicContact CG-CE2 3.79Å; Q272-L320 PolarHBondContact NE2-O 3.22Å; Q272-F324 HydrophobicContact CB-CD1 3.65Å; Q272-F324 HydrophobicContact CB-CD2 4.08Å; Q272-F324 HydrophobicContact CB-CE1 3.7Å; Q272-F324 HydrophobicContact CB-CE2 4.16Å; Q272-F324 HydrophobicContact CB-CG 3.83Å; Q272-F324 HydrophobicContact CB-CZ 3.97Å; Q272-F324 HydrophobicContact CG-CG 4.44Å
273V98.9Very high97.9Very high0 Ų037.1 Ų37.10%019%0.185CC..EExtended strand (participates in β ladder)trans-111.6128.6171.91790000108.9L170 T271 W275 A287 L290 C297 H298 V299 Y300L170-V273 HydrophobicContact CB-CG2 4.42Å; L170-V273 CarbonylContact O-C 3.57Å; L170-V273 WeakPolarHBondContact O-CA 3.4Å; T271-V273 HydrophobicContact CG2-CG2 4.25Å; V273-W275 HydrophobicContact CG1-CE3 3.84Å; V273-W275 HydrophobicContact CG1-CZ3 4.43Å; V273-A287 HydrophobicContact CG1-CB 4.13Å; V273-L290 HydrophobicContact CG1-CD1 4.23Å; V273-L290 HydrophobicContact CG2-CB 4.07Å; V273-L290 HydrophobicContact CG2-CD1 3.82Å; V273-C297 VanDerWaalsContact CG2-SG 3.57Å; V273-H298 PolarHBondContact N-O 2.84Å; V273-V299 HydrophobicContact CB-CG2 4.23Å; V273-V299 CarbonylContact O-C 3.58Å; V273-V299 WeakPolarHBondContact O-CA 3.44Å; V273-Y300 PolarHBondContact O-N 3.12Å
274I98.9Very high97.9Very high0 Ų037.9 Ų37.90%019%0.191CC..EExtended strand (participates in β ladder)trans-121.9123.9174.5-49.8177.1000108.1T169 L170 I171 C172 Q272 Y300 L302 V309 T317 L320T169-I274 HydrophobicContact CG2-CD1 4.3Å; L170-I274 PolarHBondContact O-N 3.26Å; I171-I274 CarbonylContact C-O 3.58Å; I171-I274 VanDerWaalsContact CA-O 3.31Å; I171-I274 WeakPolarHBondContact CA-O 3.1Å; I171-I274 HydrophobicContact CG1-CB 4.41Å; C172-I274 PolarHBondContact N-O 2.99Å; Q272-I274 HydrophobicContact CG-CD1 4.42Å; Q272-I274 HydrophobicContact CG-CG1 3.98Å; I274-Y300 WeakPolarHBondContact CA-O 3.09Å; I274-L302 HydrophobicContact CG2-CD1 3.81Å; I274-L302 HydrophobicContact CG2-CG 4.04Å; I274-V309 HydrophobicContact CG2-CG1 3.93Å; I274-T317 HydrophobicContact CD1-CG2 4.23Å; I274-L320 HydrophobicContact CD1-CB 4Å; I274-L320 HydrophobicContact CD1-CD1 4.15Å; I274-L320 HydrophobicContact CG1-CD1 4.43Å; I274-L320 HydrophobicContact CG2-CD1 4.22Å
275W98.8Very high97.9Very high1 Ų137.8 Ų37.80%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-134.5139.2-176.4-141.7-64.5000111.9C172 P173 L176 V273 D279 L282 V284 A287 L290 Y300 I301 L302C172-W275 HydrophobicContact CB-CD2 4.37Å; C172-W275 HydrophobicContact CB-CZ2 4.44Å; C172-W275 VanDerWaalsContact SG-CD1 3.53Å; P173-W275 HydrophobicContact CG-CH2 3.98Å; P173-W275 HydrophobicContact CG-CZ3 3.68Å; P173-W275 WeakPolarHBondContact O-CH2 3.26Å; L176-W275 HydrophobicContact CD1-CH2 3.95Å; L176-W275 HydrophobicContact CD1-CZ3 4.13Å; V273-W275 HydrophobicContact CG1-CE3 3.84Å; V273-W275 HydrophobicContact CG1-CZ3 4.43Å; W275-D279 PolarHBondContact NE1-OD2 3.34Å; W275-L282 HydrophobicContact CZ2-CB 3.87Å; W275-L282 HydrophobicContact CZ2-CD1 4.43Å; W275-V284 HydrophobicContact CB-CG2 4.26Å; W275-V284 HydrophobicContact CG-CG2 4.15Å; W275-A287 HydrophobicContact CB-CB 4.42Å; W275-A287 HydrophobicContact CD2-CB 4.4Å; W275-A287 HydrophobicContact CE3-CB 3.88Å; W275-L290 HydrophobicContact CZ3-CD1 4.22Å; W275-Y300 PolarHBondContact N-O 2.8Å; W275-I301 HydrophobicContact CB-CD1 3.75Å; W275-I301 CarbonylContact O-C 3.1Å; W275-I301 WeakPolarHBondContact O-CA 3.31Å; W275-L302 PolarHBondContact O-N 3.44Å
276G98.6Very high98Very high0 Ų033.3 Ų33.30%016%0.161CC..EExtended strand (participates in β ladder)trans-79.3126.6169.100000111.4C172 Q278 D279 C305C172-G276 PolarHBondContact SG-N 3.45Å; G276-Q278 PolarHBondContact O-N 2.65Å; G276-D279 VanDerWaalsContact O-CB 3.29Å; G276-D279 WeakPolarHBondContact O-CB 3.39Å; G276-D279 PolarHBondContact O-N 2.74Å; G276-D279 VanDerWaalsContact O-N 3.15Å; G276-C305 CarbonylContact C-O 3.49Å; G276-C305 WeakPolarHBondContact CA-O 2.99Å
277K98.3Very high98Very high98 Ų9827.4 Ų27.443%0.42614%0.136SC..THydrogen-bonded Turntrans-63.4-27.4-176.7-171.4174.9176-179.60113.8I301 L302 E303 C305K277-I301 HydrophobicContact CB-CG2 3.75Å; K277-I301 HydrophobicContact CD-CG2 4.44Å; K277-I301 HydrophobicContact CG-CG2 4.17Å; K277-L302 PolarHBondContact N-O 3.38Å; K277-E303 VanDerWaalsContact CD-CD 3.4Å; K277-E303 WeakPolarHBondContact CD-OE1 3.29Å; K277-E303 WeakPolarHBondContact CD-OE2 3.22Å; K277-E303 WeakPolarHBondContact CE-OE1 3.49Å; K277-E303 VanDerWaalsContact NZ-CD 3.32Å; K277-E303 IonicContact NZ-OE1 2.65Å; K277-E303 PolarHBondContact NZ-OE1 3.28Å; K277-E303 IonicContact NZ-OE2 3.19Å; K277-E303 PolarHBondContact NZ-OE2 2.63Å; K277-C305 PolarHBondContact N-O 3.32Å
278Q97.9Very high97.9Very high53 Ų5331.7 Ų31.725%0.24816%0.159CC..THydrogen-bonded Turntrans-104.329.1179.6-65.179.422.900111.7Y220 G276 Q280 C305Y220-Q278 HydrophobicContact CD2-CB 3.6Å; Y220-Q278 HydrophobicContact CD2-CG 3.63Å; Y220-Q278 HydrophobicContact CE2-CB 4.39Å; Y220-Q278 HydrophobicContact CE2-CG 3.91Å; Y220-Q278 HydrophobicContact CG-CB 4.38Å; G276-Q278 PolarHBondContact O-N 2.65Å; Q278-Q280 PolarHBondContact O-N 3.03Å; Q278-C305 PolarHBondContact N-O 3.19Å; Q278-C305 PolarHBondContact OE1-O 2.65Å
279D98.4Very high98Very high12 Ų1225.5 Ų25.56%0.06413%0.133CC..  trans-60.4117.6170.9-170.4-18000109.9C172 W275 G276 V281 L282 H307C172-D279 PolarHBondContact SG-OD2 3.04Å; W275-D279 PolarHBondContact NE1-OD2 3.34Å; G276-D279 VanDerWaalsContact O-CB 3.29Å; G276-D279 WeakPolarHBondContact O-CB 3.39Å; G276-D279 PolarHBondContact O-N 2.74Å; G276-D279 VanDerWaalsContact O-N 3.15Å; D279-V281 WeakPolarHBondContact OD1-CA 3.34Å; D279-V281 WeakPolarHBondContact OD1-CB 3.41Å; D279-V281 PolarHBondContact OD1-N 3.14Å; D279-L282 WeakPolarHBondContact CB-O 3.46Å; D279-L282 PolarHBondContact OD1-N 3.39Å; D279-H307 VanDerWaalsContact OD1-CB 3.27Å; D279-H307 WeakPolarHBondContact OD1-CB 3.48Å; D279-H307 IonicContact OD1-CG 3.6Å; D279-H307 IonicContact OD1-ND1 2.67Å; D279-H307 PolarHBondContact OD1-ND1 2.83Å; D279-H307 WeakPolarHBondContact OD2-CA 3.48Å; D279-H307 IonicContact OD2-CE1 3.12Å; D279-H307 IonicContact OD2-CG 3.93Å; D279-H307 IonicContact OD2-ND1 3.59Å; D279-H307 PolarHBondContact OD2-ND1 3.33Å
280Q97.4Very high98Very high79 Ų7925.3 Ų25.337%0.36913%0.131SC..SBendtrans-98.5-8179.2-66.4170.587.600112.1T182 K216 L217 Q278T182-Q280 WeakPolarHBondContact CB-O 3.38Å; T182-Q280 PolarHBondContact OG1-O 3.07Å; K216-Q280 PolarHBondContact O-NE2 2.83Å; L217-Q280 HydrophobicContact CD1-CB 3.99Å; Q278-Q280 PolarHBondContact O-N 3.03Å
281V97.2Very high97.9Very high4 Ų425.2 Ų25.22%0.02413%0.134CC..SBendtrans-86.3-54.8176.5-176.60000108.5T182 F184 I185 L217 D279 H307T182-V281 PolarHBondContact OG1-O 3.29Å; F184-V281 HydrophobicContact CD1-CG1 4.03Å; F184-V281 HydrophobicContact CE1-CG1 3.98Å; I185-V281 WeakPolarHBondContact CG1-O 3.23Å; L217-V281 HydrophobicContact CD2-CG2 4.37Å; L217-V281 HydrophobicContact CG-CG2 3.96Å; D279-V281 WeakPolarHBondContact OD1-CA 3.34Å; D279-V281 WeakPolarHBondContact OD1-CB 3.41Å; D279-V281 PolarHBondContact OD1-N 3.14Å; V281-H307 HydrophobicContact CB-CB 4.12Å; V281-H307 HydrophobicContact CG2-CB 3.8Å
282L97.2Very high97.8Very high24 Ų2434 Ų3413%0.12617%0.172CC..SBendtrans-123.5139.5-179.9-56.4178.9000110.5C172 P173 A174 I185 W275 D279C172-L282 WeakPolarHBondContact O-CD1 3.44Å; P173-L282 VanDerWaalsContact O-CD1 3.29Å; P173-L282 WeakPolarHBondContact O-CD1 3.44Å; A174-L282 HydrophobicContact CB-CD1 4.01Å; I185-L282 HydrophobicContact CD1-CD2 4.36Å; W275-L282 HydrophobicContact CZ2-CB 3.87Å; W275-L282 HydrophobicContact CZ2-CD1 4.43Å; D279-L282 WeakPolarHBondContact CB-O 3.46Å; D279-L282 PolarHBondContact OD1-N 3.39Å
283D97.7Very high97.7Very high38 Ų3835.2 Ų35.220%0.20318%0.182CC..  trans-74.8138.3-176-171.7-94.9000111.6T180 T182 S285 G286T180-D283 WeakPolarHBondContact O-CB 3.08Å; T182-D283 HydrophobicContact CG2-CB 3.99Å; D283-S285 PolarHBondContact O-N 3.06Å; D283-S285 VanDerWaalsContact O-N 3.13Å; D283-S285 WeakPolarHBondContact OD1-CB 3.27Å; D283-S285 PolarHBondContact OD1-N 3.47Å; D283-S285 PolarHBondContact OD1-OG 2.92Å; D283-G286 PolarHBondContact O-N 3.46Å; D283-G286 VanDerWaalsContact O-N 3.15Å
284V97.9Very high97.6Very high41 Ų4135.2 Ų35.225%0.24818%0.182CC..THydrogen-bonded Turntrans-62.8-20.2-176.568.90000113.2W275 G286 A287 I301W275-V284 HydrophobicContact CB-CG2 4.26Å; W275-V284 HydrophobicContact CG-CG2 4.15Å; V284-G286 PolarHBondContact O-N 2.98Å; V284-G286 VanDerWaalsContact O-N 3.07Å; V284-A287 WeakPolarHBondContact O-CB 3.35Å; V284-A287 PolarHBondContact O-N 3.28Å; V284-I301 HydrophobicContact CG2-CD1 3.78Å; V284-I301 HydrophobicContact CG2-CG2 4.06Å
285S97.4Very high97Very high17 Ų1741.2 Ų41.212%0.11922%0.221CC..THydrogen-bonded Turntrans-58.9-19.7174.962.20000113.6S179 D283 A287 D288 I289S179-S285 PolarHBondContact N-OG 3.41Å; D283-S285 PolarHBondContact O-N 3.06Å; D283-S285 VanDerWaalsContact O-N 3.13Å; D283-S285 WeakPolarHBondContact OD1-CB 3.27Å; D283-S285 PolarHBondContact OD1-N 3.47Å; D283-S285 PolarHBondContact OD1-OG 2.92Å; S285-A287 PolarHBondContact O-N 3.03Å; S285-D288 PolarHBondContact O-N 3.49Å; S285-I289 PolarHBondContact O-N 3.23Å
286G97.4Very high96.6Very high0 Ų044.3 Ų44.30%024%0.24CC..Hα-helixtrans-55.5-30.2170.600000113.6L176 D283 V284 I289 L290L176-G286 WeakPolarHBondContact CD1-O 3.4Å; D283-G286 PolarHBondContact O-N 3.46Å; D283-G286 VanDerWaalsContact O-N 3.15Å; V284-G286 PolarHBondContact O-N 2.98Å; V284-G286 VanDerWaalsContact O-N 3.07Å; G286-I289 PolarHBondContact O-N 2.87Å; G286-L290 WeakPolarHBondContact O-CG 3.16Å; G286-L290 PolarHBondContact O-N 3.29Å; G286-L290 VanDerWaalsContact O-N 3.1Å
287A97.7Very high96.5Very high0 Ų045.5 Ų45.50%025%0.248CC..Hα-helixtrans-65.5-42.5177.400000112.5V273 W275 V284 S285 I289 L290 A291 V299 I301V273-A287 HydrophobicContact CG1-CB 4.13Å; W275-A287 HydrophobicContact CB-CB 4.42Å; W275-A287 HydrophobicContact CD2-CB 4.4Å; W275-A287 HydrophobicContact CE3-CB 3.88Å; V284-A287 WeakPolarHBondContact O-CB 3.35Å; V284-A287 PolarHBondContact O-N 3.28Å; S285-A287 PolarHBondContact O-N 3.03Å; A287-I289 VanDerWaalsContact C-N 3.34Å; A287-L290 PolarHBondContact O-N 2.88Å; A287-A291 PolarHBondContact O-N 2.77Å; A287-V299 HydrophobicContact CB-CG1 3.83Å; A287-I301 HydrophobicContact CB-CD1 3.64Å
288D97Very high96.5Very high98 Ų9844.2 Ų44.252%0.52424%0.244SC..Hα-helixtrans-69.1-34.6178-71.2-20000111.7S285 A291 K292S285-D288 PolarHBondContact O-N 3.49Å; D288-A291 PolarHBondContact O-N 3.22Å; D288-K292 WeakPolarHBondContact O-CG 3.04Å; D288-K292 PolarHBondContact O-N 2.8Å
289I97.3Very high96.5Very high26 Ų2644 Ų4413%0.13325%0.246CC..Hα-helixtrans-62.3-47.1175.2-69.5158.1000110.3L176 V177 M264 S285 G286 A287 K292 A293L176-I289 HydrophobicContact CD2-CG2 4.5Å; V177-I289 WeakPolarHBondContact O-CD1 3.38Å; M264-I289 HydrophobicContact CE-CG2 3.81Å; M264-I289 HydrophobicContact SD-CG2 3.91Å; S285-I289 PolarHBondContact O-N 3.23Å; G286-I289 PolarHBondContact O-N 2.87Å; A287-I289 VanDerWaalsContact C-N 3.34Å; I289-K292 PolarHBondContact O-N 2.78Å; I289-A293 WeakPolarHBondContact O-CB 3.28Å; I289-A293 PolarHBondContact O-N 3.31Å; I289-A293 VanDerWaalsContact O-N 3.08Å
290L97.9Very high96.5Very high0 Ų046.7 Ų46.70%026%0.256CS..Hα-helixtrans-64.1-40.9176.3-73.4170.7000112.1L170 P173 L176 L260 M264 V273 W275 G286 A287 K292 A293 I294L170-L290 HydrophobicContact CD1-CD1 3.94Å; L170-L290 HydrophobicContact CD1-CD2 4.19Å; P173-L290 HydrophobicContact CG-CD1 3.71Å; L176-L290 HydrophobicContact CD1-CD1 3.88Å; L176-L290 HydrophobicContact CD1-CD2 4.44Å; L176-L290 HydrophobicContact CD1-CG 3.86Å; L176-L290 HydrophobicContact CD2-CD2 4.02Å; L176-L290 HydrophobicContact CD2-CG 4.26Å; L260-L290 HydrophobicContact CD2-CD2 4.21Å; L260-L290 HydrophobicContact CG-CD2 4.36Å; M264-L290 HydrophobicContact CB-CD2 4.21Å; M264-L290 HydrophobicContact SD-CD2 4.23Å; V273-L290 HydrophobicContact CG1-CD1 4.23Å; V273-L290 HydrophobicContact CG2-CB 4.07Å; V273-L290 HydrophobicContact CG2-CD1 3.82Å; W275-L290 HydrophobicContact CZ3-CD1 4.22Å; G286-L290 WeakPolarHBondContact O-CG 3.16Å; G286-L290 PolarHBondContact O-N 3.29Å; G286-L290 VanDerWaalsContact O-N 3.1Å; A287-L290 PolarHBondContact O-N 2.88Å; L290-K292 VanDerWaalsContact C-N 3.29Å; L290-K292 PolarHBondContact O-N 2.94Å; L290-A293 PolarHBondContact O-N 3.48Å; L290-I294 HydrophobicContact CD2-CD1 3.98Å; L290-I294 WeakPolarHBondContact O-CB 3.16Å; L290-I294 PolarHBondContact O-N 2.81Å
291A96.9Very high96.6Very high39 Ų3946 Ų4632%0.32225%0.254SS..Hα-helixtrans-60.7-38.2177.400000112.9A287 D288 V299A287-A291 PolarHBondContact O-N 2.77Å; D288-A291 PolarHBondContact O-N 3.22Å; A291-V299 HydrophobicContact CB-CG2 3.75Å
292K96.3Very high96.6Very high183 Ų18346.6 Ų46.680%0.79626%0.256SS*.Hα-helixtrans-73.6-33.4177.4-71.6171.8-177175.60112.6D288 I289 L290D288-K292 WeakPolarHBondContact O-CG 3.04Å; D288-K292 PolarHBondContact O-N 2.8Å; I289-K292 PolarHBondContact O-N 2.78Å; L290-K292 VanDerWaalsContact C-N 3.29Å; L290-K292 PolarHBondContact O-N 2.94Å
293A96.8Very high96.7Very high26 Ų2650.1 Ų50.122%0.21527%0.273CS..Hα-helixtrans-85-28.4-175.700000113.9M264 I289 L290M264-A293 HydrophobicContact CB-CB 4.27Å; M264-A293 HydrophobicContact CE-CB 3.66Å; M264-A293 HydrophobicContact CG-CB 3.63Å; M264-A293 HydrophobicContact SD-CB 3.45Å; M264-A293 WeakPolarHBondContact SD-CB 3.48Å; I289-A293 WeakPolarHBondContact O-CB 3.28Å; I289-A293 PolarHBondContact O-N 3.31Å; I289-A293 VanDerWaalsContact O-N 3.08Å; L290-A293 PolarHBondContact O-N 3.48Å
294I96.5Very high96.6Very high1 Ų151.9 Ų51.91%0.00528%0.282CS..  trans-111.6111.3-174.8-56.2170.9000109.2I267 T271 L290 T296 C297I267-I294 HydrophobicContact CB-CD1 4.43Å; I267-I294 HydrophobicContact CB-CG1 4.43Å; I267-I294 HydrophobicContact CD1-CD1 3.87Å; I267-I294 HydrophobicContact CG2-CD1 4.45Å; I267-I294 HydrophobicContact CG2-CG2 4.47Å; T271-I294 HydrophobicContact CG2-CD1 4.05Å; L290-I294 HydrophobicContact CD2-CD1 3.98Å; L290-I294 WeakPolarHBondContact O-CB 3.16Å; L290-I294 PolarHBondContact O-N 2.81Å; I294-T296 VanDerWaalsContact C-N 3.26Å; I294-T296 PolarHBondContact O-N 2.83Å; I294-T296 VanDerWaalsContact O-N 3.14Å; I294-C297 HydrophobicContact CB-CB 4.03Å; I294-C297 HydrophobicContact CG2-CB 4.24Å; I294-C297 WeakPolarHBondContact O-CB 3.24Å; I294-C297 PolarHBondContact O-N 3.22Å
295P85.8Confident96.7Very high126 Ų12649.9 Ų49.982%0.81827%0.27SS*.THydrogen-bonded Turntrans-60-29.4-172.3-27.535.1000115.6
296T90.8Very high96.7Very high65 Ų6549.1 Ų49.140%0.39927%0.265SS..THydrogen-bonded Turntrans-108.439.6-176.150.20000111.9P270 T271 I294P270-T296 WeakPolarHBondContact CA-OG1 3.49Å; T271-T296 PolarHBondContact N-O 2.98Å; I294-T296 VanDerWaalsContact C-N 3.26Å; I294-T296 PolarHBondContact O-N 2.83Å; I294-T296 VanDerWaalsContact O-N 3.14Å
297C96.4Very high96.7Very high26 Ų2649.9 Ų49.918%0.17627%0.268CS..EExtended strand (participates in β ladder)trans-93.2127.5-175.4-1680000112.9T271 V273 I294T271-C297 CarbonylContact O-C 3.16Å; T271-C297 VanDerWaalsContact O-CA 3.28Å; T271-C297 WeakPolarHBondContact O-CA 3.46Å; V273-C297 VanDerWaalsContact CG2-SG 3.57Å; I294-C297 HydrophobicContact CB-CB 4.03Å; I294-C297 HydrophobicContact CG2-CB 4.24Å; I294-C297 WeakPolarHBondContact O-CB 3.24Å; I294-C297 PolarHBondContact O-N 3.22Å
298H97.8Very high96.7Very high71 Ų7151.4 Ų51.433%0.32928%0.279SS..EExtended strand (participates in β ladder)trans-110.3114.3172.2-63.4-92.5000110.2T271 Q272 V273 Y300 F324T271-H298 PolarHBondContact O-N 3.47Å; Q272-H298 CarbonylContact C-O 3.58Å; Q272-H298 WeakPolarHBondContact CA-O 3.42Å; V273-H298 PolarHBondContact N-O 2.84Å; H298-Y300 HydrophobicContact CB-CE2 3.88Å; H298-F324 AromaticContact CD2-CE2 3.74Å
299V98.5Very high96.8Very high48 Ų4846.8 Ų46.829%0.29125%0.254SS..EExtended strand (participates in β ladder)trans-99.8134.8-176.8-179.30000111.8V273 A287 A291 I301V273-V299 HydrophobicContact CB-CG2 4.23Å; V273-V299 CarbonylContact O-C 3.58Å; V273-V299 WeakPolarHBondContact O-CA 3.44Å; A287-V299 HydrophobicContact CB-CG1 3.83Å; A291-V299 HydrophobicContact CB-CG2 3.75Å; V299-I301 HydrophobicContact CG1-CD1 3.68Å; V299-I301 HydrophobicContact CG1-CG1 4.05Å
300Y98.6Very high96.7Very high69 Ų6945.7 Ų45.727%0.27125%0.249SC..EExtended strand (participates in β ladder)trans-128.4106.3174.3-59-87.4000110.3Q272 V273 I274 W275 H298 L320Q272-Y300 HydrophobicContact CG-CD2 3.81Å; Q272-Y300 HydrophobicContact CG-CE2 3.79Å; V273-Y300 PolarHBondContact O-N 3.12Å; I274-Y300 WeakPolarHBondContact CA-O 3.09Å; W275-Y300 PolarHBondContact N-O 2.8Å; H298-Y300 HydrophobicContact CB-CE2 3.88Å; Y300-L320 HydrophobicContact CD1-CD1 4.35Å; Y300-L320 HydrophobicContact CD1-CD2 3.54Å; Y300-L320 HydrophobicContact CE1-CD2 3.69Å; Y300-L320 HydrophobicContact CG-CD1 4.08Å; Y300-L320 HydrophobicContact CG-CD2 3.97Å
301I98.7Very high96.6Very high65 Ų6550.4 Ų50.433%0.33327%0.272SS..EExtended strand (participates in β ladder)trans-91.3124.7173.7-52.3-54.8000109.3W275 K277 V284 A287 V299W275-I301 HydrophobicContact CB-CD1 3.75Å; W275-I301 CarbonylContact O-C 3.1Å; W275-I301 WeakPolarHBondContact O-CA 3.31Å; K277-I301 HydrophobicContact CB-CG2 3.75Å; K277-I301 HydrophobicContact CD-CG2 4.44Å; K277-I301 HydrophobicContact CG-CG2 4.17Å; V284-I301 HydrophobicContact CG2-CD1 3.78Å; V284-I301 HydrophobicContact CG2-CG2 4.06Å; A287-I301 HydrophobicContact CB-CD1 3.64Å; V299-I301 HydrophobicContact CG1-CD1 3.68Å; V299-I301 HydrophobicContact CG1-CG1 4.05Å
302L98.5Very high96.6Very high15 Ų1549.4 Ų49.48%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-100.5116.6-177.8-55.4-171.8000110.5I274 W275 K277 C305 V309 R313 K316 L320I274-L302 HydrophobicContact CG2-CD1 3.81Å; I274-L302 HydrophobicContact CG2-CG 4.04Å; W275-L302 PolarHBondContact O-N 3.44Å; K277-L302 PolarHBondContact N-O 3.38Å; L302-C305 HydrophobicContact CB-CB 3.83Å; L302-C305 WeakPolarHBondContact O-CB 3.42Å; L302-V309 HydrophobicContact CD1-CG1 3.82Å; L302-R313 HydrophobicContact CD1-CB 4.08Å; L302-R313 HydrophobicContact CD1-CG 4.24Å; L302-K316 HydrophobicContact CD2-CG 4.26Å; L302-L320 HydrophobicContact CD2-CD1 4.05Å
303E98Very high96.6Very high99 Ų9944 Ų4446%0.46324%0.235SC..THydrogen-bonded Turntrans-65.1148.3172.1-63.8-67.2158.400111.7K277 C305K277-E303 VanDerWaalsContact CD-CD 3.4Å; K277-E303 WeakPolarHBondContact CD-OE1 3.29Å; K277-E303 WeakPolarHBondContact CD-OE2 3.22Å; K277-E303 WeakPolarHBondContact CE-OE1 3.49Å; K277-E303 VanDerWaalsContact NZ-CD 3.32Å; K277-E303 IonicContact NZ-OE1 2.65Å; K277-E303 PolarHBondContact NZ-OE1 3.28Å; K277-E303 IonicContact NZ-OE2 3.19Å; K277-E303 PolarHBondContact NZ-OE2 2.63Å; E303-C305 PolarHBondContact O-N 2.8Å
304N97.3Very high96.7Very high74 Ų7443.8 Ų43.840%0.39623%0.232SC..THydrogen-bonded Turntrans56.336.3179.5-58.9-36.8000112.7Y220 R313Y220-N304 HydrophobicContact CD1-CB 3.79Å; Y220-N304 WeakPolarHBondContact CD1-O 3.28Å; Y220-N304 HydrophobicContact CE1-CB 3.46Å; Y220-N304 VanDerWaalsContact CE1-CB 3.46Å; Y220-N304 VanDerWaalsContact CG-C 3.41Å; Y220-N304 HydrophobicContact CG-CB 4.5Å; Y220-N304 PolarHBondContact OH-OD1 3.16Å; N304-R313 PolarHBondContact O-NH2 2.98Å
305C98.4Very high96.7Very high0 Ų052.7 Ų52.70%027%0.265CS..  trans-136134.2-174.8-168.20000109.7G276 K277 Q278 L302 E303 R313G276-C305 CarbonylContact C-O 3.49Å; G276-C305 WeakPolarHBondContact CA-O 2.99Å; K277-C305 PolarHBondContact N-O 3.32Å; Q278-C305 PolarHBondContact N-O 3.19Å; Q278-C305 PolarHBondContact OE1-O 2.65Å; L302-C305 HydrophobicContact CB-CB 3.83Å; L302-C305 WeakPolarHBondContact O-CB 3.42Å; E303-C305 PolarHBondContact O-N 2.8Å; C305-R313 HydrophobicContact CB-CG 4.27Å
306G98.2Very high97.3Very high1 Ų151.1 Ų51.11%0.0125%0.246CC..  trans-94.7-154.4175.600000112.4V309 E312G306-V309 WeakPolarHBondContact O-CG2 3.29Å; G306-E312 VanDerWaalsContact CA-OE1 3.24Å; G306-E312 WeakPolarHBondContact CA-OE1 3.43Å; G306-E312 PolarHBondContact N-OE1 3.21Å
307H98.3Very high97.7Very high15 Ų1548 Ų487%0.06923%0.227CC..SBendtrans-63.5-39.5-178.6-165.258.4000113.1S148 C218 D279 V281 V309S148-H307 VanDerWaalsContact CB-NE2 3.25Å; S148-H307 WeakPolarHBondContact CB-NE2 3.37Å; S148-H307 PolarHBondContact OG-CE1 3.36Å; S148-H307 PolarHBondContact OG-NE2 3.47Å; C218-H307 HydrophobicContact CB-CB 4.35Å; C218-H307 WeakPolarHBondContact O-CA 3.16Å; C218-H307 WeakPolarHBondContact O-CB 3.13Å; C218-H307 PolarHBondContact O-N 3.41Å; D279-H307 VanDerWaalsContact OD1-CB 3.27Å; D279-H307 WeakPolarHBondContact OD1-CB 3.48Å; D279-H307 IonicContact OD1-CG 3.6Å; D279-H307 IonicContact OD1-ND1 2.67Å; D279-H307 PolarHBondContact OD1-ND1 2.83Å; D279-H307 WeakPolarHBondContact OD2-CA 3.48Å; D279-H307 IonicContact OD2-CE1 3.12Å; D279-H307 IonicContact OD2-CG 3.93Å; D279-H307 IonicContact OD2-ND1 3.59Å; D279-H307 PolarHBondContact OD2-ND1 3.33Å; V281-H307 HydrophobicContact CB-CB 4.12Å; V281-H307 HydrophobicContact CG2-CB 3.8Å; H307-V309 PolarHBondContact O-N 3.26Å
308S96.8Very high97.8Very high33 Ų3346.9 Ų46.923%0.23122%0.219CC..  trans-80.250-175-69.70000112.7C218 V310 M311 E312C218-S308 WeakPolarHBondContact CB-OG 3.24Å; C218-S308 PolarHBondContact O-N 2.97Å; S308-V310 PolarHBondContact O-N 2.95Å; S308-V310 VanDerWaalsContact O-N 3.13Å; S308-M311 WeakPolarHBondContact O-CA 3.16Å; S308-M311 PolarHBondContact O-N 3.17Å; S308-E312 PolarHBondContact O-N 2.82Å
309V98.1Very high97.8Very high0 Ų048.9 Ų48.90%023%0.226CC..Hα-helixtrans-49.2-43.8-177.3170.40000112.5I171 C172 I274 L302 G306 H307 M311 E312 R313 T317I171-V309 HydrophobicContact CG2-CB 3.64Å; I171-V309 HydrophobicContact CG2-CG1 3.84Å; I171-V309 HydrophobicContact CG2-CG2 4.14Å; C172-V309 VanDerWaalsContact SG-CG2 3.59Å; I274-V309 HydrophobicContact CG2-CG1 3.93Å; L302-V309 HydrophobicContact CD1-CG1 3.82Å; G306-V309 WeakPolarHBondContact O-CG2 3.29Å; H307-V309 PolarHBondContact O-N 3.26Å; V309-M311 PolarHBondContact O-N 3.37Å; V309-E312 PolarHBondContact O-N 3.43Å; V309-R313 CarbonylContact O-C 3.56Å; V309-R313 WeakPolarHBondContact O-CA 3.32Å; V309-R313 PolarHBondContact O-N 3.48Å; V309-T317 WeakPolarHBondContact CG1-OG1 3.36Å
310V96.6Very high97.9Very high3 Ų346.7 Ų46.72%0.01821%0.213CC..Hα-helixtrans-60.5-33.2179.81710000111.8M86 W87 S89 I90 I171 S308 P314M86-V310 HydrophobicContact CE-CG1 4.29Å; M86-V310 HydrophobicContact CG-CG1 4.35Å; W87-V310 HydrophobicContact CE3-CG1 3.98Å; W87-V310 HydrophobicContact CE3-CG2 4.22Å; W87-V310 HydrophobicContact CH2-CG2 4.27Å; W87-V310 HydrophobicContact CZ3-CG1 4.19Å; W87-V310 HydrophobicContact CZ3-CG2 3.58Å; S89-V310 VanDerWaalsContact OG-CG1 3.25Å; S89-V310 WeakPolarHBondContact OG-CG1 3.43Å; S89-V310 PolarHBondContact OG-O 3.1Å; I90-V310 HydrophobicContact CG2-CB 4.46Å; I90-V310 HydrophobicContact CG2-CG1 3.79Å; I171-V310 HydrophobicContact CD1-CG2 3.91Å; I171-V310 HydrophobicContact CG2-CG2 4.38Å; S308-V310 PolarHBondContact O-N 2.95Å; S308-V310 VanDerWaalsContact O-N 3.13Å; V310-P314 WeakPolarHBondContact O-CA 3.47Å; V310-P314 VanDerWaalsContact O-CB 3.25Å; V310-P314 WeakPolarHBondContact O-CB 3.34Å
311M94.9Very high97.8Very high100 Ų10043.7 Ų43.749%0.49320%0.202SC..Hα-helixtrans-90.2-37.6179-65.4-60.9-64.300112.7S308 V309 P314S308-M311 WeakPolarHBondContact O-CA 3.16Å; S308-M311 PolarHBondContact O-N 3.17Å; V309-M311 PolarHBondContact O-N 3.37Å; M311-P314 WeakPolarHBondContact O-CD 3.33Å
312E96.6Very high97.8Very high17 Ų1743.2 Ų43.28%0.07920%0.199CC..Hα-helixtrans-80.8-31.4-176.2-69.3-165.7-94.700113.6S219 Y220 V221 G306 S308 V309 P314S219-E312 VanDerWaalsContact CA-OE1 3.29Å; S219-E312 WeakPolarHBondContact CA-OE1 3.48Å; Y220-E312 PolarHBondContact N-OE1 2.95Å; Y220-E312 VanDerWaalsContact N-OE1 3.16Å; Y220-E312 PolarHBondContact N-OE2 3.47Å; V221-E312 WeakPolarHBondContact CG2-OE2 3.17Å; V221-E312 PolarHBondContact N-OE2 2.81Å; G306-E312 VanDerWaalsContact CA-OE1 3.24Å; G306-E312 WeakPolarHBondContact CA-OE1 3.43Å; G306-E312 PolarHBondContact N-OE1 3.21Å; S308-E312 PolarHBondContact O-N 2.82Å; V309-E312 PolarHBondContact O-N 3.43Å; E312-P314 VanDerWaalsContact C-CD 3.45Å
313R97.4Very high97.8Very high69 Ų6946.5 Ų46.526%0.2622%0.215SC..SBendtrans-133.941.2-174.9-65.2-62.3-175-79.6-5113.3L302 N304 C305 V309 R315 K316 T317L302-R313 HydrophobicContact CD1-CB 4.08Å; L302-R313 HydrophobicContact CD1-CG 4.24Å; N304-R313 PolarHBondContact O-NH2 2.98Å; C305-R313 HydrophobicContact CB-CG 4.27Å; V309-R313 CarbonylContact O-C 3.56Å; V309-R313 WeakPolarHBondContact O-CA 3.32Å; V309-R313 PolarHBondContact O-N 3.48Å; R313-R315 VanDerWaalsContact C-N 3.33Å; R313-R315 PolarHBondContact O-N 3.34Å; R313-R315 VanDerWaalsContact O-N 3.13Å; R313-K316 HydrophobicContact CB-CB 4.27Å; R313-K316 PolarHBondContact O-N 2.93Å; R313-T317 PolarHBondContact O-N 3.21Å; R313-T317 PolarHBondContact O-OG1 3.38Å; R313-T317 VanDerWaalsContact O-OG1 3.06Å
314P97.5Very high97.8Very high23 Ų2341.9 Ų41.915%0.14919%0.193CC..Hα-helixtrans-56.7-41.4-169.220-32.9000114S89 I90 F93 V310 M311 E312 A318S89-P314 WeakPolarHBondContact O-CB 3.33Å; I90-P314 HydrophobicContact CG2-CB 4.02Å; F93-P314 HydrophobicContact CD2-CB 4.1Å; F93-P314 HydrophobicContact CE2-CB 3.78Å; F93-P314 HydrophobicContact CE2-CG 3.97Å; V310-P314 WeakPolarHBondContact O-CA 3.47Å; V310-P314 VanDerWaalsContact O-CB 3.25Å; V310-P314 WeakPolarHBondContact O-CB 3.34Å; M311-P314 WeakPolarHBondContact O-CD 3.33Å; E312-P314 VanDerWaalsContact C-CD 3.45Å; P314-A318 WeakPolarHBondContact O-CB 3.43Å; P314-A318 PolarHBondContact O-N 3.19Å
315R98.3Very high97.7Very high188 Ų18839.2 Ų39.271%0.70918%0.178SC*.Hα-helixtrans-66.1-40.3178.5-172.3177.9-179.9176.40.5111.8F93 R313 K319F93-R315 HydrophobicContact CD1-CB 4.19Å; F93-R315 HydrophobicContact CD1-CG 3.98Å; F93-R315 HydrophobicContact CD2-CB 4.08Å; F93-R315 HydrophobicContact CE1-CB 3.99Å; F93-R315 HydrophobicContact CE1-CG 4Å; F93-R315 HydrophobicContact CE2-CB 3.85Å; F93-R315 HydrophobicContact CG-CB 4.22Å; F93-R315 HydrophobicContact CG-CG 4.31Å; F93-R315 HydrophobicContact CZ-CB 3.8Å; F93-R315 HydrophobicContact CZ-CG 4.33Å; R313-R315 VanDerWaalsContact C-N 3.33Å; R313-R315 PolarHBondContact O-N 3.34Å; R313-R315 VanDerWaalsContact O-N 3.13Å; R315-K319 WeakPolarHBondContact O-CB 3.34Å; R315-K319 PolarHBondContact O-N 2.95Å
316K98.4Very high97.6Very high93 Ų9341.9 Ų41.940%0.40420%0.201SC..Hα-helixtrans-71.3-42.1178.9-179.763.3175.7176.40110.3L302 R313 K319 L320L302-K316 HydrophobicContact CD2-CG 4.26Å; R313-K316 HydrophobicContact CB-CB 4.27Å; R313-K316 PolarHBondContact O-N 2.93Å; K316-K319 PolarHBondContact O-N 3.35Å; K316-L320 HydrophobicContact CD-CG 4.35Å; K316-L320 HydrophobicContact CG-CD1 4.26Å; K316-L320 WeakPolarHBondContact O-CG 3.45Å; K316-L320 PolarHBondContact O-N 3.26Å
317T98.4Very high97.4Very high0 Ų045.2 Ų45.20%022%0.218CC..Hα-helixtrans-58-51.7173.7-52.80000111.2I90 I171 I274 V309 R313 K319 L320 M321I90-T317 HydrophobicContact CG2-CG2 4.3Å; I171-T317 HydrophobicContact CD1-CG2 3.83Å; I274-T317 HydrophobicContact CD1-CG2 4.23Å; V309-T317 WeakPolarHBondContact CG1-OG1 3.36Å; R313-T317 PolarHBondContact O-N 3.21Å; R313-T317 PolarHBondContact O-OG1 3.38Å; R313-T317 VanDerWaalsContact O-OG1 3.06Å; T317-K319 VanDerWaalsContact C-N 3.31Å; T317-K319 PolarHBondContact O-N 3.48Å; T317-L320 PolarHBondContact O-N 2.88Å; T317-M321 HydrophobicContact CG2-SD 4.17Å; T317-M321 WeakPolarHBondContact O-CG 3.5Å; T317-M321 PolarHBondContact O-N 2.81Å
318A98.6Very high97.1Very high1 Ų145.5 Ų45.51%0.00822%0.22CC..Hα-helixtrans-59.7-41.2177.300000112.2F93 L94 P314 M321 L322F93-A318 HydrophobicContact CB-CB 3.54Å; L94-A318 HydrophobicContact CD2-CB 3.95Å; L94-A318 HydrophobicContact CG-CB 4.44Å; P314-A318 WeakPolarHBondContact O-CB 3.43Å; P314-A318 PolarHBondContact O-N 3.19Å; A318-M321 PolarHBondContact O-N 2.92Å; A318-L322 VanDerWaalsContact O-CG 3.25Å; A318-L322 WeakPolarHBondContact O-CG 3.43Å; A318-L322 PolarHBondContact O-N 2.76Å
319K98.7Very high96.6Very high113 Ų11347.2 Ų47.249%0.49122%0.224SC..Hα-helixtrans-60.4-49.7175.1177.9174.4171.71740111.8R315 K316 T317 M321 L322 E323R315-K319 WeakPolarHBondContact O-CB 3.34Å; R315-K319 PolarHBondContact O-N 2.95Å; K316-K319 PolarHBondContact O-N 3.35Å; T317-K319 VanDerWaalsContact C-N 3.31Å; T317-K319 PolarHBondContact O-N 3.48Å; K319-M321 VanDerWaalsContact C-N 3.31Å; K319-M321 PolarHBondContact O-N 3.21Å; K319-L322 PolarHBondContact O-N 3.2Å; K319-E323 WeakPolarHBondContact CE-OE1 3.34Å; K319-E323 HydrophobicContact CG-CG 4.36Å; K319-E323 IonicContact NZ-OE1 3.59Å; K319-E323 WeakPolarHBondContact O-CG 3.39Å; K319-E323 PolarHBondContact O-N 2.89Å
320L98.7Very high95.8Very high3 Ų349.7 Ų49.72%0.01624%0.241CC..Hα-helixtrans-60.9-40.1179.3-73.5175.4000112.2Q272 I274 Y300 L302 K316 T317 F324Q272-L320 PolarHBondContact NE2-O 3.22Å; I274-L320 HydrophobicContact CD1-CB 4Å; I274-L320 HydrophobicContact CD1-CD1 4.15Å; I274-L320 HydrophobicContact CG1-CD1 4.43Å; I274-L320 HydrophobicContact CG2-CD1 4.22Å; Y300-L320 HydrophobicContact CD1-CD1 4.35Å; Y300-L320 HydrophobicContact CD1-CD2 3.54Å; Y300-L320 HydrophobicContact CE1-CD2 3.69Å; Y300-L320 HydrophobicContact CG-CD1 4.08Å; Y300-L320 HydrophobicContact CG-CD2 3.97Å; L302-L320 HydrophobicContact CD2-CD1 4.05Å; K316-L320 HydrophobicContact CD-CG 4.35Å; K316-L320 HydrophobicContact CG-CD1 4.26Å; K316-L320 WeakPolarHBondContact O-CG 3.45Å; K316-L320 PolarHBondContact O-N 3.26Å; T317-L320 PolarHBondContact O-N 2.88Å; L320-F324 WeakPolarHBondContact O-CB 3.32Å; L320-F324 PolarHBondContact O-N 3.33Å
321M98.4Very high95Very high5 Ų552.5 Ų52.53%0.02526%0.259CS..Hα-helixtrans-60.9-47.5174.5-70.117064.100110.8I90 V145 T169 T317 A318 K319 F324 L325I90-M321 HydrophobicContact CD1-CE 4.36Å; I90-M321 HydrophobicContact CD1-SD 4.03Å; V145-M321 HydrophobicContact CG1-CE 4.24Å; V145-M321 HydrophobicContact CG2-CE 3.77Å; T169-M321 HydrophobicContact CG2-CG 4.35Å; T317-M321 HydrophobicContact CG2-SD 4.17Å; T317-M321 WeakPolarHBondContact O-CG 3.5Å; T317-M321 PolarHBondContact O-N 2.81Å; A318-M321 PolarHBondContact O-N 2.92Å; K319-M321 VanDerWaalsContact C-N 3.31Å; K319-M321 PolarHBondContact O-N 3.21Å; M321-F324 PolarHBondContact O-N 3.3Å; M321-L325 VanDerWaalsContact O-CG 3.31Å; M321-L325 WeakPolarHBondContact O-CG 3.5Å; M321-L325 PolarHBondContact O-N 3.18Å
322L98.1Very high94.1Very high55 Ų5552.6 Ų52.629%0.28826%0.258SS..Hα-helixtrans-66.5-39.6-179.3-66.7169000112.8L94 P95 L98 A318 K319 F324 L325 A326L94-L322 HydrophobicContact CD2-CD1 4.27Å; L94-L322 HydrophobicContact CD2-CD2 4.11Å; L94-L322 HydrophobicContact CD2-CG 4.06Å; P95-L322 HydrophobicContact CG-CD1 4.37Å; P95-L322 HydrophobicContact CG-CD2 4.03Å; L98-L322 HydrophobicContact CD1-CD2 4.09Å; A318-L322 VanDerWaalsContact O-CG 3.25Å; A318-L322 WeakPolarHBondContact O-CG 3.43Å; A318-L322 PolarHBondContact O-N 2.76Å; K319-L322 PolarHBondContact O-N 3.2Å; L322-F324 VanDerWaalsContact C-N 3.3Å; L322-L325 PolarHBondContact O-N 2.9Å; L322-A326 WeakPolarHBondContact O-CB 3.29Å; L322-A326 PolarHBondContact O-N 3.17Å
323E98.1Very high92.9Very high85 Ų8556 Ų5640%0.39728%0.276SS..Hα-helixtrans-61.1-41.8174.6-74.4173.7161.100111K319 A326 L327K319-E323 WeakPolarHBondContact CE-OE1 3.34Å; K319-E323 HydrophobicContact CG-CG 4.36Å; K319-E323 IonicContact NZ-OE1 3.59Å; K319-E323 WeakPolarHBondContact O-CG 3.39Å; K319-E323 PolarHBondContact O-N 2.89Å; E323-A326 PolarHBondContact O-N 3.37Å; E323-L327 PolarHBondContact O-N 3.38Å
324F97.9Very high91.6Very high1 Ų157.7 Ų57.70%0.00429%0.291CS..Hα-helixtrans-64.9-46.9176-179.6-121.8000112.3P270 Q272 H298 L320 M321 L322 A326 L327 L328P270-F324 HydrophobicContact CB-CZ 4.07Å; Q272-F324 HydrophobicContact CB-CD1 3.65Å; Q272-F324 HydrophobicContact CB-CD2 4.08Å; Q272-F324 HydrophobicContact CB-CE1 3.7Å; Q272-F324 HydrophobicContact CB-CE2 4.16Å; Q272-F324 HydrophobicContact CB-CG 3.83Å; Q272-F324 HydrophobicContact CB-CZ 3.97Å; Q272-F324 HydrophobicContact CG-CG 4.44Å; H298-F324 AromaticContact CD2-CE2 3.74Å; L320-F324 WeakPolarHBondContact O-CB 3.32Å; L320-F324 PolarHBondContact O-N 3.33Å; M321-F324 PolarHBondContact O-N 3.3Å; L322-F324 VanDerWaalsContact C-N 3.3Å; F324-A326 VanDerWaalsContact C-N 3.27Å; F324-A326 PolarHBondContact O-N 3.4Å; F324-L327 WeakPolarHBondContact O-CB 3.37Å; F324-L327 PolarHBondContact O-N 2.73Å; F324-L328 HydrophobicContact CD1-CD1 4.36Å; F324-L328 HydrophobicContact CE1-CD1 3.9Å; F324-L328 HydrophobicContact CE2-CD1 4.27Å; F324-L328 HydrophobicContact CE2-CD2 4.14Å; F324-L328 HydrophobicContact CE2-CG 4.25Å; F324-L328 HydrophobicContact CZ-CD1 3.84Å; F324-L328 HydrophobicContact CZ-CD2 4.32Å; F324-L328 HydrophobicContact CZ-CG 4.32Å; F324-L328 WeakPolarHBondContact O-CG 3.43Å; F324-L328 PolarHBondContact O-N 2.92Å; F324-L328 VanDerWaalsContact O-N 3.13Å
325L95.6Very high90.2Very high18 Ų1864 Ų649%0.09432%0.316CS..Hα-helixtrans-60.5-37.3176.1-64.6-175.8000112.4I74 H143 M321 L322 L328 H329I74-L325 HydrophobicContact CD1-CD1 3.87Å; H143-L325 HydrophobicContact CB-CD2 4.46Å; H143-L325 VanDerWaalsContact CE1-CD2 3.41Å; H143-L325 WeakPolarHBondContact CE1-CD2 3.33Å; H143-L325 WeakPolarHBondContact ND1-CD2 3.44Å; M321-L325 VanDerWaalsContact O-CG 3.31Å; M321-L325 WeakPolarHBondContact O-CG 3.5Å; M321-L325 PolarHBondContact O-N 3.18Å; L322-L325 PolarHBondContact O-N 2.9Å; L325-L328 PolarHBondContact O-N 3.18Å; L325-H329 PolarHBondContact O-N 2.93Å; L325-H329 PolarHBondContact O-ND1 3.46Å
326A95.1Very high88.6Confident57 Ų5763 Ų6347%0.47132%0.317SS..Hα-helixtrans-66.3-42.3176.200000112.3L322 E323 F324 L328 H329 S330L322-A326 WeakPolarHBondContact O-CB 3.29Å; L322-A326 PolarHBondContact O-N 3.17Å; E323-A326 PolarHBondContact O-N 3.37Å; F324-A326 VanDerWaalsContact C-N 3.27Å; F324-A326 PolarHBondContact O-N 3.4Å; A326-L328 VanDerWaalsContact C-N 3.3Å; A326-L328 PolarHBondContact O-N 3.19Å; A326-H329 PolarHBondContact O-N 3.37Å; A326-S330 PolarHBondContact O-N 3.26Å; A326-S330 VanDerWaalsContact O-N 3.07Å; A326-S330 PolarHBondContact O-OG 2.86Å
327L94.1Very high86.6Confident70 Ų7066.3 Ų66.337%0.36633%0.334SS..Hα-helixtrans-59.1-40.4176.618069000112.1E323 F324 S330 T331E323-L327 PolarHBondContact O-N 3.38Å; F324-L327 WeakPolarHBondContact O-CB 3.37Å; F324-L327 PolarHBondContact O-N 2.73Å; L327-S330 PolarHBondContact O-OG 3.46Å; L327-T331 PolarHBondContact O-N 2.99Å; L327-T331 VanDerWaalsContact O-N 3.13Å; L327-T331 PolarHBondContact O-OG1 3.13Å
328L91.6Very high84.3Confident22 Ų2272.9 Ų72.912%0.11539%0.388CS..Hα-helixtrans-66.9-44.6178.2-63.1-179.5000111.7P270 F324 L325 A326 S330 T331 E332P270-L328 HydrophobicContact CB-CD1 4.19Å; P270-L328 HydrophobicContact CB-CD2 3.49Å; P270-L328 VanDerWaalsContact CB-CD2 3.49Å; P270-L328 HydrophobicContact CG-CD2 3.86Å; F324-L328 HydrophobicContact CD1-CD1 4.36Å; F324-L328 HydrophobicContact CE1-CD1 3.9Å; F324-L328 HydrophobicContact CE2-CD1 4.27Å; F324-L328 HydrophobicContact CE2-CD2 4.14Å; F324-L328 HydrophobicContact CE2-CG 4.25Å; F324-L328 HydrophobicContact CZ-CD1 3.84Å; F324-L328 HydrophobicContact CZ-CD2 4.32Å; F324-L328 HydrophobicContact CZ-CG 4.32Å; F324-L328 WeakPolarHBondContact O-CG 3.43Å; F324-L328 PolarHBondContact O-N 2.92Å; F324-L328 VanDerWaalsContact O-N 3.13Å; L325-L328 PolarHBondContact O-N 3.18Å; A326-L328 VanDerWaalsContact C-N 3.3Å; A326-L328 PolarHBondContact O-N 3.19Å; L328-S330 VanDerWaalsContact C-N 3.34Å; L328-S330 PolarHBondContact O-N 3.04Å; L328-T331 PolarHBondContact O-N 2.82Å; L328-T331 VanDerWaalsContact O-N 3.16Å; L328-E332 PolarHBondContact O-N 3.1Å
329H86.6Confident83.6Confident69 Ų6976.5 Ų76.532%0.31941%0.407SS..Hα-helixtrans-61-40.2176.5-68.5157.8000112.8L325 A326 T331 E332 N333L325-H329 PolarHBondContact O-N 2.93Å; L325-H329 PolarHBondContact O-ND1 3.46Å; A326-H329 PolarHBondContact O-N 3.37Å; H329-T331 VanDerWaalsContact C-N 3.31Å; H329-T331 PolarHBondContact O-N 3Å; H329-E332 PolarHBondContact O-N 3.18Å; H329-N333 PolarHBondContact O-N 3.08Å; H329-N333 VanDerWaalsContact O-N 3.11Å
330S82.7Confident82.8Confident51 Ų5174.5 Ų74.536%0.35740%0.402SS..Hα-helixtrans-65.4-37.2176530000112.2A326 L327 L328 N333 N334A326-S330 PolarHBondContact O-N 3.26Å; A326-S330 VanDerWaalsContact O-N 3.07Å; A326-S330 PolarHBondContact O-OG 2.86Å; L327-S330 PolarHBondContact O-OG 3.46Å; L328-S330 VanDerWaalsContact C-N 3.34Å; L328-S330 PolarHBondContact O-N 3.04Å; S330-N333 PolarHBondContact O-N 3.46Å; S330-N334 VanDerWaalsContact O-CG 3.25Å; S330-N334 PolarHBondContact O-N 3.33Å; S330-N334 VanDerWaalsContact O-N 3.11Å; S330-N334 PolarHBondContact O-OD1 2.88Å
331T78.9Confident81.9Confident63 Ų6378.5 Ų78.539%0.38742%0.424SS..Hα-helixtrans-69.3-37.1179.7-52.70000111.6L327 L328 H329 K335L327-T331 PolarHBondContact O-N 2.99Å; L327-T331 VanDerWaalsContact O-N 3.13Å; L327-T331 PolarHBondContact O-OG1 3.13Å; L328-T331 PolarHBondContact O-N 2.82Å; L328-T331 VanDerWaalsContact O-N 3.16Å; H329-T331 VanDerWaalsContact C-N 3.31Å; H329-T331 PolarHBondContact O-N 3Å; T331-K335 WeakPolarHBondContact O-CG 3.48Å; T331-K335 PolarHBondContact O-N 3.25Å
332E76.9Confident80.9Confident101 Ų10182.8 Ų82.847%0.47245%0.447SS..Hα-helixtrans-67.3-40.9174.5-75.6-175.9178.600113L328 H329 K335 K336L328-E332 PolarHBondContact O-N 3.1Å; H329-E332 PolarHBondContact O-N 3.18Å; E332-K335 PolarHBondContact O-N 2.99Å; E332-K336 WeakPolarHBondContact O-CG 3.3Å; E332-K336 PolarHBondContact O-N 2.98Å
333N71.6Confident79.9Confident88 Ų8884.6 Ų84.647%0.47146%0.457SS..Hα-helixtrans-64.4-45.1177.6-74-11000111.3H329 S330 K335 K336 E337H329-N333 PolarHBondContact O-N 3.08Å; H329-N333 VanDerWaalsContact O-N 3.11Å; S330-N333 PolarHBondContact O-N 3.46Å; N333-K335 PolarHBondContact O-N 3.24Å; N333-K336 PolarHBondContact O-N 3.42Å; N333-E337 PolarHBondContact O-N 2.71Å
334N68.7Low78.6Confident105 Ų10584.5 Ų84.556%0.56146%0.461SS*.Hα-helixtrans-62-30.8177.6-67.8-3.3000112.7S330 A338S330-N334 VanDerWaalsContact O-CG 3.25Å; S330-N334 PolarHBondContact O-N 3.33Å; S330-N334 VanDerWaalsContact O-N 3.11Å; S330-N334 PolarHBondContact O-OD1 2.88Å; N334-A338 PolarHBondContact O-N 3.01Å
335K69.1Low77.3Confident157 Ų15790.5 Ų90.568%0.68349%0.494SS*.Hα-helixtrans-75.5-18.9174.3-77.1-177.6-179.7-1770114.3T331 E332 N333T331-K335 WeakPolarHBondContact O-CG 3.48Å; T331-K335 PolarHBondContact O-N 3.25Å; E332-K335 PolarHBondContact O-N 2.99Å; N333-K335 PolarHBondContact O-N 3.24Å
336K64Low75.8Confident165 Ų16596.1 Ų96.172%0.71752%0.524SS*.Hα-helixtrans-89.8-19.9176.6-72.7177.5-177.21720112.5E332 N333E332-K336 WeakPolarHBondContact O-CG 3.3Å; E332-K336 PolarHBondContact O-N 2.98Å; N333-K336 PolarHBondContact O-N 3.42Å
337E57.5Low74.2Confident164 Ų16499.3 Ų99.377%0.76653%0.529SS*.Hα-helixtrans-94.2-15.2179-68.7178-178.100113.4N333N333-E337 PolarHBondContact O-N 2.71Å
338A49.2Very low72.4Confident137 Ų137102 Ų102100%1.13254%0.544SS*.  trans-97.3017200000110.7N334N334-A338 PolarHBondContact O-N 3.01Å

Retrieved 338 of 338 residues in 707 ms (Link to these results)

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