A0A087XHK1_POEFO Loading...

Glycerophosphodiester phosphodiesterase 1

AlphaFold DB , UniProt , Accession A0A087XHK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 329 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
1M44.4Very low71.6Confident220 Ų22077.8 Ų77.8100%1.08442%0.423SS*.  0-46.80-72.5-168.3-160.200112.9L4 G5M1-L4 PolarHBondContact O-N 2.72Å; M1-G5 PolarHBondContact O-N 3.36Å
2L58.6Low73Confident95 Ų9576.4 Ų76.450%0.49742%0.423SS..Hα-helixtrans-61.3-45.1-178.8-71.1166.4000114.4L4 G5 D6 R289L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 PolarHBondContact O-N 2.69Å; L2-G5 PolarHBondContact O-N 3.18Å; L2-G5 VanDerWaalsContact O-N 3.13Å; L2-D6 PolarHBondContact O-N 3.18Å; L2-R289 HydrophobicContact CD1-CB 4.12Å
3Q58.7Low74.2Confident94 Ų9477.8 Ų77.844%0.43943%0.429SS..Hα-helixtrans-60.9-36.4178.2-72.7179.5-14.800113D6 E7 W264Q3-D6 PolarHBondContact O-N 3.37Å; Q3-E7 WeakPolarHBondContact O-CG 3.44Å; Q3-E7 PolarHBondContact O-N 3Å; Q3-E7 VanDerWaalsContact O-N 3.1Å; Q3-W264 HydrophobicContact CG-CH2 4.44Å
4L62.3Low75.2Confident121 Ų12174.3 Ų74.363%0.63441%0.41SS*.Hα-helixtrans-66.1-40.7176.8-152.689.1000110.8M1 L2 E7 V8M1-L4 PolarHBondContact O-N 2.72Å; L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 PolarHBondContact O-N 2.69Å; L4-E7 PolarHBondContact O-N 3.48Å; L4-V8 VanDerWaalsContact O-CG2 3.26Å; L4-V8 WeakPolarHBondContact O-CG2 3.29Å; L4-V8 PolarHBondContact O-N 2.9Å
5G73.4Confident76.4Confident35 Ų3573.7 Ų73.736%0.36140%0.402SS..Hα-helixtrans-63.7-39.8175.600000113.2M1 L2 V8 T9M1-G5 PolarHBondContact O-N 3.36Å; L2-G5 PolarHBondContact O-N 3.18Å; L2-G5 VanDerWaalsContact O-N 3.13Å; G5-V8 PolarHBondContact O-N 2.86Å; G5-T9 WeakPolarHBondContact O-CB 3.43Å; G5-T9 PolarHBondContact O-N 3.33Å; G5-T9 PolarHBondContact O-OG1 3.28Å
6D76.8Confident77.4Confident33 Ų3373.8 Ų73.818%0.17641%0.405CS..Hα-helixtrans-65.6-40.2176-66.4-17.8000112L2 Q3 L10 R290L2-D6 PolarHBondContact O-N 3.18Å; Q3-D6 PolarHBondContact O-N 3.37Å; D6-L10 WeakPolarHBondContact O-CB 3.32Å; D6-L10 PolarHBondContact O-N 3.05Å; D6-R290 VanDerWaalsContact CG-NH2 3.25Å; D6-R290 IonicContact OD1-NH2 3.55Å; D6-R290 PolarHBondContact OD1-NH2 3.33Å; D6-R290 IonicContact OD2-CZ 3.92Å; D6-R290 IonicContact OD2-NE 3.44Å; D6-R290 PolarHBondContact OD2-NE 3.45Å; D6-R290 IonicContact OD2-NH2 3.14Å; D6-R290 PolarHBondContact OD2-NH2 3.09Å
7E76.4Confident78.2Confident25 Ų2575.6 Ų75.612%0.11741%0.414CS..Hα-helixtrans-65.2-49.6175.9-71.2-171.6170.600110.8Q3 L4 T9 L10 Y11 R43Q3-E7 WeakPolarHBondContact O-CG 3.44Å; Q3-E7 PolarHBondContact O-N 3Å; Q3-E7 VanDerWaalsContact O-N 3.1Å; L4-E7 PolarHBondContact O-N 3.48Å; E7-T9 VanDerWaalsContact C-N 3.25Å; E7-T9 PolarHBondContact O-N 2.6Å; E7-L10 PolarHBondContact O-N 3.3Å; E7-Y11 HydrophobicContact CB-CD2 4.21Å; E7-Y11 HydrophobicContact CB-CE2 4.28Å; E7-Y11 HydrophobicContact CG-CE2 4.45Å; E7-Y11 WeakPolarHBondContact O-CD2 3.33Å; E7-Y11 PolarHBondContact O-N 3.36Å; E7-R43 IonicContact OE1-NH1 2.88Å; E7-R43 PolarHBondContact OE1-NH1 3.25Å
8V80.9Confident79Confident88 Ų8873.3 Ų73.353%0.53340%0.403SS..Hα-helixtrans-56.5-43.6178.7171.50000110.7L4 G5 S12L4-V8 VanDerWaalsContact O-CG2 3.26Å; L4-V8 WeakPolarHBondContact O-CG2 3.29Å; L4-V8 PolarHBondContact O-N 2.9Å; G5-V8 PolarHBondContact O-N 2.86Å; V8-S12 WeakPolarHBondContact O-CB 3.47Å; V8-S12 PolarHBondContact O-N 2.99Å; V8-S12 PolarHBondContact O-OG 2.85Å
9T83.1Confident79.8Confident100 Ų10072.5 Ų72.561%0.61340%0.397SS*.Hα-helixtrans-64-48.2179.4-53.60000111.7G5 E7 S12 L13G5-T9 WeakPolarHBondContact O-CB 3.43Å; G5-T9 PolarHBondContact O-N 3.33Å; G5-T9 PolarHBondContact O-OG1 3.28Å; E7-T9 VanDerWaalsContact C-N 3.25Å; E7-T9 PolarHBondContact O-N 2.6Å; T9-S12 PolarHBondContact O-N 2.98Å; T9-L13 PolarHBondContact O-N 2.97Å
10L85.4Confident80.5Confident16 Ų1675.1 Ų75.18%0.08441%0.41CS..Hα-helixtrans-61.1-52-179.517661.8000111.9D6 E7 S12 L13 V14 W257D6-L10 WeakPolarHBondContact O-CB 3.32Å; D6-L10 PolarHBondContact O-N 3.05Å; E7-L10 PolarHBondContact O-N 3.3Å; L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 2.59Å; L10-L13 WeakPolarHBondContact O-CB 3.18Å; L10-L13 PolarHBondContact O-N 2.88Å; L10-V14 WeakPolarHBondContact O-CG2 3.32Å; L10-V14 PolarHBondContact O-N 3.1Å; L10-W257 HydrophobicContact CD1-CH2 3.62Å; L10-W257 HydrophobicContact CD1-CZ2 3.28Å
11Y87.6Confident81Confident29 Ų2974.6 Ų74.611%0.11442%0.423CS..Hα-helixtrans-73.6-25.5-176.6-67.9-72000112.2E7 V14 F15 T32 L35 Y36E7-Y11 HydrophobicContact CB-CD2 4.21Å; E7-Y11 HydrophobicContact CB-CE2 4.28Å; E7-Y11 HydrophobicContact CG-CE2 4.45Å; E7-Y11 WeakPolarHBondContact O-CD2 3.33Å; E7-Y11 PolarHBondContact O-N 3.36Å; Y11-V14 PolarHBondContact O-N 3.24Å; Y11-F15 VanDerWaalsContact O-CB 3.31Å; Y11-F15 WeakPolarHBondContact O-CB 3.34Å; Y11-F15 PolarHBondContact O-N 3.45Å; Y11-T32 HydrophobicContact CD1-CG2 4.19Å; Y11-T32 WeakPolarHBondContact O-CG2 3.18Å; Y11-L35 HydrophobicContact CE1-CD2 4.47Å; Y11-L35 HydrophobicContact CE1-CG 4.34Å; Y11-Y36 AromaticContact CD2-CD2 3.81Å; Y11-Y36 HydrophobicContact CD2-CD2 3.81Å; Y11-Y36 HydrophobicContact CE1-CD2 4.26Å; Y11-Y36 AromaticContact CE2-CD2 3.49Å; Y11-Y36 HydrophobicContact CE2-CD2 3.49Å; Y11-Y36 VanDerWaalsContact CE2-CD2 3.49Å; Y11-Y36 HydrophobicContact CE2-CE2 4.19Å; Y11-Y36 HydrophobicContact CG-CD2 4.36Å; Y11-Y36 AromaticContact CZ-CD2 3.72Å
12S88.9Confident83.4Confident61 Ų6166.8 Ų66.843%0.42739%0.387SS..Hα-helixtrans-65.4-42.7169.3-62.20000111.6V8 T9 L10 F15 V16V8-S12 WeakPolarHBondContact O-CB 3.47Å; V8-S12 PolarHBondContact O-N 2.99Å; V8-S12 PolarHBondContact O-OG 2.85Å; T9-S12 PolarHBondContact O-N 2.98Å; L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 2.59Å; S12-F15 PolarHBondContact O-N 3.43Å; S12-V16 WeakPolarHBondContact O-CG2 3.16Å; S12-V16 PolarHBondContact O-N 2.56Å
13L88.1Confident85.1Confident94 Ų9472.9 Ų72.949%0.49240%0.403SS..Hα-helixtrans-62.2-46.6174.9-175.174.3000111.1T9 L10 F15 V16 L17T9-L13 PolarHBondContact O-N 2.97Å; L10-L13 WeakPolarHBondContact O-CB 3.18Å; L10-L13 PolarHBondContact O-N 2.88Å; L13-F15 VanDerWaalsContact C-N 3.32Å; L13-F15 PolarHBondContact O-N 2.74Å; L13-V16 PolarHBondContact O-N 3.24Å; L13-L17 HydrophobicContact CG-CD1 4.19Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.3Å
14V88.4Confident86.9Confident29 Ų2969.8 Ų69.818%0.17639%0.393CS..Hα-helixtrans-57.6-47.1175.8173.10000110.6L10 Y11 V16 L17 V18 T32 L35L10-V14 WeakPolarHBondContact O-CG2 3.32Å; L10-V14 PolarHBondContact O-N 3.1Å; Y11-V14 PolarHBondContact O-N 3.24Å; V14-V16 PolarHBondContact O-N 3.48Å; V14-L17 PolarHBondContact O-N 3.23Å; V14-V18 HydrophobicContact CG1-CG2 4.16Å; V14-V18 VanDerWaalsContact O-CG2 3.26Å; V14-V18 WeakPolarHBondContact O-CG2 3.48Å; V14-V18 PolarHBondContact O-N 3.29Å; V14-T32 HydrophobicContact CB-CG2 4.46Å; V14-T32 HydrophobicContact CG1-CG2 4.27Å; V14-L35 HydrophobicContact CG1-CD2 4.05Å; V14-L35 HydrophobicContact CG2-CD2 4.46Å
15F92.8Very high88.4Confident65 Ų6568.1 Ų68.129%0.28539%0.389SS..Hα-helixtrans-57.1-47.4178.1178.5-91.6000112.2Y11 S12 L13 V18 L19 T32Y11-F15 VanDerWaalsContact O-CB 3.31Å; Y11-F15 WeakPolarHBondContact O-CB 3.34Å; Y11-F15 PolarHBondContact O-N 3.45Å; S12-F15 PolarHBondContact O-N 3.43Å; L13-F15 VanDerWaalsContact C-N 3.32Å; L13-F15 PolarHBondContact O-N 2.74Å; F15-V18 PolarHBondContact O-N 3Å; F15-L19 HydrophobicContact CE1-CD2 4.05Å; F15-L19 VanDerWaalsContact O-CB 3.26Å; F15-L19 WeakPolarHBondContact O-CB 3.29Å; F15-L19 PolarHBondContact O-N 2.61Å; F15-T32 WeakPolarHBondContact CA-OG1 3.42Å; F15-T32 HydrophobicContact CB-CG2 4.19Å
16V93.1Very high89.5Confident75 Ų7572.5 Ų72.546%0.45540%0.403SS..Hα-helixtrans-62.6-44.9179.1171.70000111S12 L13 V14 L19 L20S12-V16 WeakPolarHBondContact O-CG2 3.16Å; S12-V16 PolarHBondContact O-N 2.56Å; L13-V16 PolarHBondContact O-N 3.24Å; V14-V16 PolarHBondContact O-N 3.48Å; V16-L19 WeakPolarHBondContact O-CB 3.36Å; V16-L19 PolarHBondContact O-N 3.43Å; V16-L20 HydrophobicContact CG1-CD1 4.21Å; V16-L20 WeakPolarHBondContact O-CG 3.46Å; V16-L20 PolarHBondContact O-N 3.01Å
17L91.3Very high90.2Very high106 Ų10678.4 Ų78.456%0.55542%0.423SS*.Hα-helixtrans-62.6-44.9178.1-70.3172.7000112L13 V14 L19 L20 G21L13-L17 HydrophobicContact CG-CD1 4.19Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.3Å; V14-L17 PolarHBondContact O-N 3.23Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 3Å; L17-L20 PolarHBondContact O-N 2.86Å; L17-G21 PolarHBondContact O-N 2.99Å; L17-G21 VanDerWaalsContact O-N 3.09Å
18V91.6Very high91.1Very high34 Ų3477.2 Ų77.221%0.20642%0.418CS..Hα-helixtrans-66.5-34.4176.5179.90000110.9V14 F15 G21 T22 S28 L31V14-V18 HydrophobicContact CG1-CG2 4.16Å; V14-V18 VanDerWaalsContact O-CG2 3.26Å; V14-V18 WeakPolarHBondContact O-CG2 3.48Å; V14-V18 PolarHBondContact O-N 3.29Å; F15-V18 PolarHBondContact O-N 3Å; V18-G21 PolarHBondContact O-N 3.07Å; V18-T22 HydrophobicContact CG1-CG2 3.74Å; V18-T22 WeakPolarHBondContact O-CB 3.37Å; V18-T22 WeakPolarHBondContact O-CG2 3.46Å; V18-T22 PolarHBondContact O-N 2.62Å; V18-T22 PolarHBondContact O-OG1 3.17Å; V18-S28 VanDerWaalsContact C-OG 3.3Å; V18-S28 PolarHBondContact O-OG 2.81Å; V18-L31 HydrophobicContact CG1-CB 4.18Å; V18-L31 HydrophobicContact CG1-CD1 3.63Å
19L93.9Very high91.7Very high57 Ų5776.4 Ų76.430%0.29841%0.413SS..Hα-helixtrans-66.1-41.3174.9-17763.2000112.3F15 V16 L17 G21 R23 P25 S28F15-L19 HydrophobicContact CE1-CD2 4.05Å; F15-L19 VanDerWaalsContact O-CB 3.26Å; F15-L19 WeakPolarHBondContact O-CB 3.29Å; F15-L19 PolarHBondContact O-N 2.61Å; V16-L19 WeakPolarHBondContact O-CB 3.36Å; V16-L19 PolarHBondContact O-N 3.43Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 3Å; L19-G21 VanDerWaalsContact C-N 3.3Å; L19-G21 PolarHBondContact O-N 2.77Å; L19-R23 WeakPolarHBondContact O-CA 3.33Å; L19-R23 PolarHBondContact O-N 2.75Å; L19-P25 HydrophobicContact CD1-CG 4.11Å; L19-S28 WeakPolarHBondContact CA-OG 3.21Å; L19-S28 WeakPolarHBondContact CB-OG 3.42Å; L19-S28 PolarHBondContact N-OG 2.59Å
20L93.8Very high92.3Very high124 Ų12473.6 Ų73.665%0.64940%0.4SS*.Hα-helixtrans-63-39175-69.4171.6000111.8V16 L17V16-L20 HydrophobicContact CG1-CD1 4.21Å; V16-L20 WeakPolarHBondContact O-CG 3.46Å; V16-L20 PolarHBondContact O-N 3.01Å; L17-L20 PolarHBondContact O-N 2.86Å
21G92.4Very high92.6Very high66 Ų6676.9 Ų76.968%0.6842%0.417SS*.Hα-helixtrans-74.9-49179.100000114.2L17 V18 L19L17-G21 PolarHBondContact O-N 2.99Å; L17-G21 VanDerWaalsContact O-N 3.09Å; V18-G21 PolarHBondContact O-N 3.07Å; L19-G21 VanDerWaalsContact C-N 3.3Å; L19-G21 PolarHBondContact O-N 2.77Å
22T93.8Very high92.9Very high55 Ų5576.1 Ų76.134%0.33742%0.415SS..Hα-helixtrans-84.4-23-175.5640000113.2V18 S24 W27 S28 L31V18-T22 HydrophobicContact CG1-CG2 3.74Å; V18-T22 WeakPolarHBondContact O-CB 3.37Å; V18-T22 WeakPolarHBondContact O-CG2 3.46Å; V18-T22 PolarHBondContact O-N 2.62Å; V18-T22 PolarHBondContact O-OG1 3.17Å; T22-S24 PolarHBondContact O-N 3.47Å; T22-S24 VanDerWaalsContact O-N 3.1Å; T22-S24 PolarHBondContact OG1-N 3.09Å; T22-S24 PolarHBondContact OG1-O 3.05Å; T22-W27 HydrophobicContact CG2-CB 4.23Å; T22-S28 PolarHBondContact OG1-OG 3.39Å; T22-L31 HydrophobicContact CG2-CD1 4.36Å
23R94.5Very high93Very high223 Ų22376.3 Ų76.384%0.84241%0.414SS*.  trans52.524.5-169.8-56.2-176.3177177-1.2113.5L19L19-R23 WeakPolarHBondContact O-CA 3.33Å; L19-R23 PolarHBondContact O-N 2.75Å
24S95.6Very high93.3Very high30 Ų3075.4 Ų75.421%0.2142%0.416CS..  trans-133112.9-176.1178.80000111T22 L26 W27 S28T22-S24 PolarHBondContact O-N 3.47Å; T22-S24 VanDerWaalsContact O-N 3.1Å; T22-S24 PolarHBondContact OG1-N 3.09Å; T22-S24 PolarHBondContact OG1-O 3.05Å; S24-L26 PolarHBondContact O-N 3.15Å; S24-W27 PolarHBondContact O-N 2.83Å; S24-S28 PolarHBondContact O-N 3.36Å; S24-S28 PolarHBondContact O-OG 2.67Å; S24-S28 VanDerWaalsContact O-OG 3.05Å
25P94.6Very high93.3Very high86 Ų8677.7 Ų77.756%0.55843%0.427SS*.Hα-helixtrans-58.1-33.5176.7-25.334000113.4L19 T29L19-P25 HydrophobicContact CD1-CG 4.11Å; P25-T29 WeakPolarHBondContact O-CB 3.39Å; P25-T29 PolarHBondContact O-N 3.48Å; P25-T29 PolarHBondContact O-OG1 3.4Å
26L96Very high93.3Very high127 Ų12778.8 Ų78.867%0.66543%0.429SS*.Hα-helixtrans-65.6-50.7178.8-175.7124.8000111.1S24 T29 A30S24-L26 PolarHBondContact O-N 3.15Å; L26-T29 PolarHBondContact O-N 3.25Å; L26-A30 WeakPolarHBondContact O-CB 3.31Å; L26-A30 PolarHBondContact O-N 3.1Å
27W92.7Very high93.2Very high156 Ų15680 Ų8059%0.59143%0.433SS*.Hα-helixtrans-66.6-38.1177.7-75.9114.1000112.4T22 S24 T29 A30 L31T22-W27 HydrophobicContact CG2-CB 4.23Å; S24-W27 PolarHBondContact O-N 2.83Å; W27-T29 VanDerWaalsContact C-N 3.35Å; W27-T29 PolarHBondContact O-N 3.02Å; W27-A30 PolarHBondContact O-N 3.02Å; W27-L31 WeakPolarHBondContact O-CB 3.43Å; W27-L31 WeakPolarHBondContact O-CG 3.49Å; W27-L31 PolarHBondContact O-N 3.08Å
28S94.1Very high93.2Very high0 Ų080.4 Ų80.40%043%0.43CS..Hα-helixtrans-61.6-42.6174.1-59.40000112.9V18 L19 T22 S24 T32V18-S28 VanDerWaalsContact C-OG 3.3Å; V18-S28 PolarHBondContact O-OG 2.81Å; L19-S28 WeakPolarHBondContact CA-OG 3.21Å; L19-S28 WeakPolarHBondContact CB-OG 3.42Å; L19-S28 PolarHBondContact N-OG 2.59Å; T22-S28 PolarHBondContact OG1-OG 3.39Å; S24-S28 PolarHBondContact O-N 3.36Å; S24-S28 PolarHBondContact O-OG 2.67Å; S24-S28 VanDerWaalsContact O-OG 3.05Å; S28-T32 VanDerWaalsContact O-CB 3.24Å; S28-T32 WeakPolarHBondContact O-CB 3.35Å; S28-T32 PolarHBondContact O-N 3.35Å; S28-T32 PolarHBondContact O-OG1 2.9Å
29T94.4Very high93.1Very high71 Ų7179.4 Ų79.444%0.43642%0.424SS..Hα-helixtrans-64.8-48.1176.5-55.20000110.4P25 L26 W27 T33P25-T29 WeakPolarHBondContact O-CB 3.39Å; P25-T29 PolarHBondContact O-N 3.48Å; P25-T29 PolarHBondContact O-OG1 3.4Å; L26-T29 PolarHBondContact O-N 3.25Å; W27-T29 VanDerWaalsContact C-N 3.35Å; W27-T29 PolarHBondContact O-N 3.02Å; T29-T33 WeakPolarHBondContact O-CB 3.29Å; T29-T33 PolarHBondContact O-N 2.92Å; T29-T33 PolarHBondContact O-OG1 3.19Å
30A94.8Very high93Very high41 Ų4178.4 Ų78.434%0.33942%0.424SS..Hα-helixtrans-58.9-53.3-179.900000111.1L26 W27 T32 T33 S34L26-A30 WeakPolarHBondContact O-CB 3.31Å; L26-A30 PolarHBondContact O-N 3.1Å; W27-A30 PolarHBondContact O-N 3.02Å; A30-T32 PolarHBondContact O-N 3.32Å; A30-T33 PolarHBondContact O-N 3.16Å; A30-S34 WeakPolarHBondContact O-CB 3.43Å; A30-S34 PolarHBondContact O-N 3.39Å; A30-S34 PolarHBondContact O-OG 2.88Å
31L93.1Very high92.9Very high86 Ų8679 Ų7945%0.4543%0.426SS..Hα-helixtrans-64.7-43.1-177.4-70.5171.6000112.7V18 T22 W27 S34 L35V18-L31 HydrophobicContact CG1-CB 4.18Å; V18-L31 HydrophobicContact CG1-CD1 3.63Å; T22-L31 HydrophobicContact CG2-CD1 4.36Å; W27-L31 WeakPolarHBondContact O-CB 3.43Å; W27-L31 WeakPolarHBondContact O-CG 3.49Å; W27-L31 PolarHBondContact O-N 3.08Å; L31-S34 PolarHBondContact O-N 3.49Å; L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 PolarHBondContact O-N 3.27Å
32T92.4Very high93Very high12 Ų1279.6 Ų79.67%0.07441%0.41CS..Hα-helixtrans-65.2-42.8178.3-52.50000111Y11 V14 F15 S28 A30 L35 Y36Y11-T32 HydrophobicContact CD1-CG2 4.19Å; Y11-T32 WeakPolarHBondContact O-CG2 3.18Å; V14-T32 HydrophobicContact CB-CG2 4.46Å; V14-T32 HydrophobicContact CG1-CG2 4.27Å; F15-T32 WeakPolarHBondContact CA-OG1 3.42Å; F15-T32 HydrophobicContact CB-CG2 4.19Å; S28-T32 VanDerWaalsContact O-CB 3.24Å; S28-T32 WeakPolarHBondContact O-CB 3.35Å; S28-T32 PolarHBondContact O-N 3.35Å; S28-T32 PolarHBondContact O-OG1 2.9Å; A30-T32 PolarHBondContact O-N 3.32Å; T32-L35 PolarHBondContact O-N 3.31Å; T32-Y36 WeakPolarHBondContact O-CB 3.21Å; T32-Y36 PolarHBondContact O-N 3.09Å
33T92.3Very high93Very high66 Ų6681.7 Ų81.741%0.40541%0.411SS..Hα-helixtrans-66.5-43.4177.6-54.70000111T29 A30 L35 Y36 L37T29-T33 WeakPolarHBondContact O-CB 3.29Å; T29-T33 PolarHBondContact O-N 2.92Å; T29-T33 PolarHBondContact O-OG1 3.19Å; A30-T33 PolarHBondContact O-N 3.16Å; T33-L35 VanDerWaalsContact C-N 3.33Å; T33-L35 PolarHBondContact O-N 3.38Å; T33-Y36 PolarHBondContact O-N 2.79Å; T33-L37 HydrophobicContact CG2-CD1 4.06Å; T33-L37 HydrophobicContact CG2-CG 4.29Å; T33-L37 WeakPolarHBondContact O-CB 3.47Å; T33-L37 VanDerWaalsContact O-CG 3.28Å; T33-L37 WeakPolarHBondContact O-CG 3.39Å; T33-L37 PolarHBondContact O-N 2.88Å
34S93.2Very high93Very high75 Ų7572.8 Ų72.852%0.52438%0.379SS..Hα-helixtrans-60.1-42.6175.1-66.70000111.9A30 L31 L37 F38A30-S34 WeakPolarHBondContact O-CB 3.43Å; A30-S34 PolarHBondContact O-N 3.39Å; A30-S34 PolarHBondContact O-OG 2.88Å; L31-S34 PolarHBondContact O-N 3.49Å; S34-L37 PolarHBondContact O-N 3.2Å; S34-F38 VanDerWaalsContact O-CB 3.25Å; S34-F38 WeakPolarHBondContact O-CB 3.27Å; S34-F38 PolarHBondContact O-N 3.34Å
35L89.9Confident92.9Very high77 Ų7776 Ų7640%0.40340%0.399SS..Hα-helixtrans-64.1-45175.3-178.564.4000111.7Y11 V14 L31 T32 T33 F38 V39Y11-L35 HydrophobicContact CE1-CD2 4.47Å; Y11-L35 HydrophobicContact CE1-CG 4.34Å; V14-L35 HydrophobicContact CG1-CD2 4.05Å; V14-L35 HydrophobicContact CG2-CD2 4.46Å; L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 PolarHBondContact O-N 3.27Å; T32-L35 PolarHBondContact O-N 3.31Å; T33-L35 VanDerWaalsContact C-N 3.33Å; T33-L35 PolarHBondContact O-N 3.38Å; L35-F38 WeakPolarHBondContact O-CB 3.39Å; L35-F38 PolarHBondContact O-N 2.65Å; L35-V39 HydrophobicContact CD1-CG2 4.38Å; L35-V39 WeakPolarHBondContact O-CG2 3.38Å; L35-V39 PolarHBondContact O-N 2.88Å
36Y91.1Very high92.8Very high87 Ų8774.3 Ų74.334%0.34138%0.384SS..Hα-helixtrans-57.9-49.8175.5172.1-93.1000111.4Y11 T32 T33 F38 V39 A40Y11-Y36 AromaticContact CD2-CD2 3.81Å; Y11-Y36 HydrophobicContact CD2-CD2 3.81Å; Y11-Y36 HydrophobicContact CE1-CD2 4.26Å; Y11-Y36 AromaticContact CE2-CD2 3.49Å; Y11-Y36 HydrophobicContact CE2-CD2 3.49Å; Y11-Y36 VanDerWaalsContact CE2-CD2 3.49Å; Y11-Y36 HydrophobicContact CE2-CE2 4.19Å; Y11-Y36 HydrophobicContact CG-CD2 4.36Å; Y11-Y36 AromaticContact CZ-CD2 3.72Å; T32-Y36 WeakPolarHBondContact O-CB 3.21Å; T32-Y36 PolarHBondContact O-N 3.09Å; T33-Y36 PolarHBondContact O-N 2.79Å; Y36-F38 VanDerWaalsContact C-N 3.32Å; Y36-F38 PolarHBondContact O-N 2.87Å; Y36-V39 PolarHBondContact O-N 3.4Å; Y36-A40 HydrophobicContact CE1-CB 4.45Å; Y36-A40 VanDerWaalsContact O-CB 3.24Å; Y36-A40 WeakPolarHBondContact O-CB 3.47Å; Y36-A40 PolarHBondContact O-N 2.81Å
37L92.6Very high92.7Very high101 Ų10169.6 Ų69.653%0.52936%0.359SS..Hα-helixtrans-62.9-39.3178.7-70.1176.3000111.6T33 S34 A40 M41T33-L37 HydrophobicContact CG2-CD1 4.06Å; T33-L37 HydrophobicContact CG2-CG 4.29Å; T33-L37 WeakPolarHBondContact O-CB 3.47Å; T33-L37 VanDerWaalsContact O-CG 3.28Å; T33-L37 WeakPolarHBondContact O-CG 3.39Å; T33-L37 PolarHBondContact O-N 2.88Å; S34-L37 PolarHBondContact O-N 3.2Å; L37-A40 PolarHBondContact O-N 3.37Å; L37-M41 WeakPolarHBondContact O-CB 3.2Å; L37-M41 PolarHBondContact O-N 2.85Å
38F91.1Very high92.7Very high114 Ų11465 Ų6550%0.535%0.354SS..Hα-helixtrans-59.7-53.5174.8-178.8-89.5000110.9S34 L35 Y36 A40 M41 F42S34-F38 VanDerWaalsContact O-CB 3.25Å; S34-F38 WeakPolarHBondContact O-CB 3.27Å; S34-F38 PolarHBondContact O-N 3.34Å; L35-F38 WeakPolarHBondContact O-CB 3.39Å; L35-F38 PolarHBondContact O-N 2.65Å; Y36-F38 VanDerWaalsContact C-N 3.32Å; Y36-F38 PolarHBondContact O-N 2.87Å; F38-A40 VanDerWaalsContact C-N 3.32Å; F38-A40 PolarHBondContact O-N 3.08Å; F38-M41 PolarHBondContact O-N 2.79Å; F38-F42 HydrophobicContact CD1-CD2 4.1Å; F38-F42 AromaticContact CD2-CD2 3.62Å; F38-F42 HydrophobicContact CD2-CD2 3.62Å; F38-F42 AromaticContact CD2-CE2 3.47Å; F38-F42 HydrophobicContact CD2-CE2 3.47Å; F38-F42 VanDerWaalsContact CD2-CE2 3.47Å; F38-F42 AromaticContact CE1-CD2 3.98Å; F38-F42 HydrophobicContact CE1-CD2 3.98Å; F38-F42 AromaticContact CE2-CD2 3.49Å; F38-F42 HydrophobicContact CE2-CD2 3.49Å; F38-F42 VanDerWaalsContact CE2-CD2 3.49Å; F38-F42 AromaticContact CE2-CE2 3.24Å; F38-F42 HydrophobicContact CE2-CE2 3.24Å; F38-F42 HydrophobicContact CE2-CZ 4.22Å; F38-F42 AromaticContact CG-CD2 3.92Å; F38-F42 HydrophobicContact CG-CD2 3.92Å; F38-F42 HydrophobicContact CG-CE2 4.23Å; F38-F42 AromaticContact CZ-CD2 3.67Å; F38-F42 HydrophobicContact CZ-CD2 3.67Å; F38-F42 AromaticContact CZ-CE2 3.84Å; F38-F42 HydrophobicContact CZ-CE2 3.84Å; F38-F42 HydrophobicContact CZ-CG 4.48Å; F38-F42 VanDerWaalsContact O-CD2 3.23Å; F38-F42 WeakPolarHBondContact O-CD2 3.4Å; F38-F42 PolarHBondContact O-N 3.18Å
39V89.9Confident92.6Very high13 Ų1367 Ų678%0.07937%0.366CS..Hα-helixtrans-62.9-40178.6175.30000111.2L35 Y36 M41 F42 R43 L262L35-V39 HydrophobicContact CD1-CG2 4.38Å; L35-V39 WeakPolarHBondContact O-CG2 3.38Å; L35-V39 PolarHBondContact O-N 2.88Å; Y36-V39 PolarHBondContact O-N 3.4Å; V39-M41 VanDerWaalsContact C-N 3.31Å; V39-M41 PolarHBondContact O-N 2.99Å; V39-F42 PolarHBondContact O-N 3.36Å; V39-R43 WeakPolarHBondContact O-CB 3.43Å; V39-R43 WeakPolarHBondContact O-CG 3.48Å; V39-R43 PolarHBondContact O-N 3Å; V39-L262 HydrophobicContact CG1-CD1 3.99Å; V39-L262 HydrophobicContact CG2-CD1 3.99Å
40A89.9Confident92.5Very high36 Ų3668 Ų6830%0.29838%0.376SS..Hα-helixtrans-64.6-34177.700000112.8Y36 L37 F38Y36-A40 HydrophobicContact CE1-CB 4.45Å; Y36-A40 VanDerWaalsContact O-CB 3.24Å; Y36-A40 WeakPolarHBondContact O-CB 3.47Å; Y36-A40 PolarHBondContact O-N 2.81Å; L37-A40 PolarHBondContact O-N 3.37Å; F38-A40 VanDerWaalsContact C-N 3.32Å; F38-A40 PolarHBondContact O-N 3.08Å
41M93.3Very high92.4Very high138 Ų13867.9 Ų67.968%0.6837%0.367SS*.Hα-helixtrans-78-34.6179.1-174.9170.772.500112.9L37 F38 V39L37-M41 WeakPolarHBondContact O-CB 3.2Å; L37-M41 PolarHBondContact O-N 2.85Å; F38-M41 PolarHBondContact O-N 2.79Å; V39-M41 VanDerWaalsContact C-N 3.31Å; V39-M41 PolarHBondContact O-N 2.99Å
42F93.6Very high92.4Very high78 Ų7863.9 Ų63.934%0.34235%0.346SS..Hα-helixtrans-100.3-4.8-175.8-71.2-70.7000114.3F38 V39 Y209 L266F38-F42 HydrophobicContact CD1-CD2 4.1Å; F38-F42 AromaticContact CD2-CD2 3.62Å; F38-F42 HydrophobicContact CD2-CD2 3.62Å; F38-F42 AromaticContact CD2-CE2 3.47Å; F38-F42 HydrophobicContact CD2-CE2 3.47Å; F38-F42 VanDerWaalsContact CD2-CE2 3.47Å; F38-F42 AromaticContact CE1-CD2 3.98Å; F38-F42 HydrophobicContact CE1-CD2 3.98Å; F38-F42 AromaticContact CE2-CD2 3.49Å; F38-F42 HydrophobicContact CE2-CD2 3.49Å; F38-F42 VanDerWaalsContact CE2-CD2 3.49Å; F38-F42 AromaticContact CE2-CE2 3.24Å; F38-F42 HydrophobicContact CE2-CE2 3.24Å; F38-F42 HydrophobicContact CE2-CZ 4.22Å; F38-F42 AromaticContact CG-CD2 3.92Å; F38-F42 HydrophobicContact CG-CD2 3.92Å; F38-F42 HydrophobicContact CG-CE2 4.23Å; F38-F42 AromaticContact CZ-CD2 3.67Å; F38-F42 HydrophobicContact CZ-CD2 3.67Å; F38-F42 AromaticContact CZ-CE2 3.84Å; F38-F42 HydrophobicContact CZ-CE2 3.84Å; F38-F42 HydrophobicContact CZ-CG 4.48Å; F38-F42 VanDerWaalsContact O-CD2 3.23Å; F38-F42 WeakPolarHBondContact O-CD2 3.4Å; F38-F42 PolarHBondContact O-N 3.18Å; V39-F42 PolarHBondContact O-N 3.36Å; F42-Y209 VanDerWaalsContact O-CE2 3.31Å; F42-Y209 WeakPolarHBondContact O-CE2 3.22Å; F42-Y209 PolarHBondContact O-OH 2.96Å; F42-Y209 VanDerWaalsContact O-OH 3.12Å; F42-L266 HydrophobicContact CB-CD1 4.44Å
43R93.9Very high92.4Very high99 Ų9968.4 Ų68.437%0.37436%0.362SS..PPolyproline II helixtrans-74.5146.2175.869.6-179.6-174.3-176.8-0.2112.1E7 V39 L266E7-R43 IonicContact OE1-NH1 2.88Å; E7-R43 PolarHBondContact OE1-NH1 3.25Å; V39-R43 WeakPolarHBondContact O-CB 3.43Å; V39-R43 WeakPolarHBondContact O-CG 3.48Å; V39-R43 PolarHBondContact O-N 3Å; R43-L266 WeakPolarHBondContact CA-O 3.22Å; R43-L266 HydrophobicContact CB-CD1 4.49Å
44F94.6Very high92.4Very high36 Ų3671.3 Ų71.316%0.15837%0.371CS..PPolyproline II helixtrans-89.3139.1167.1-65.8-74.9000110.8Y209 R212 Q213 L266 G268F44-Y209 HydrophobicContact CD2-CD2 4.12Å; F44-Y209 HydrophobicContact CD2-CE2 4.05Å; F44-Y209 HydrophobicContact CE2-CD1 4.2Å; F44-Y209 AromaticContact CE2-CD2 3.71Å; F44-Y209 HydrophobicContact CE2-CD2 3.71Å; F44-Y209 HydrophobicContact CE2-CE1 4.03Å; F44-Y209 AromaticContact CE2-CE2 3.53Å; F44-Y209 HydrophobicContact CE2-CE2 3.53Å; F44-Y209 HydrophobicContact CE2-CG 4.05Å; F44-Y209 AromaticContact CE2-CZ 3.7Å; F44-Y209 HydrophobicContact CZ-CE1 4.46Å; F44-Y209 HydrophobicContact CZ-CE2 4.5Å; F44-R212 HydrophobicContact CB-CB 4.35Å; F44-R212 HydrophobicContact CD1-CB 4.09Å; F44-R212 HydrophobicContact CD2-CB 3.52Å; F44-R212 HydrophobicContact CD2-CG 4.36Å; F44-R212 HydrophobicContact CE1-CB 4.31Å; F44-R212 HydrophobicContact CE2-CB 3.75Å; F44-R212 HydrophobicContact CG-CB 3.7Å; F44-R212 HydrophobicContact CZ-CB 4.17Å; F44-Q213 HydrophobicContact CE2-CB 4.46Å; F44-Q213 VanDerWaalsContact CZ-CA 3.47Å; F44-Q213 HydrophobicContact CZ-CB 3.75Å; F44-Q213 HydrophobicContact CZ-CG 4.36Å; F44-L266 PolarHBondContact N-O 3.47Å; F44-G268 WeakPolarHBondContact O-CA 3.32Å
45P92.6Very high92.4Very high97 Ų9767.8 Ų67.863%0.6335%0.346SS*.PPolyproline II helixtrans-63.4141.9170.328.5-33.4000109.2R212P45-R212 PolarHBondContact O-NH2 3.19Å
46Q92.6Very high92.6Very high51 Ų5164.2 Ų64.224%0.23833%0.327CS..PPolyproline II helixtrans-67.4141.4171.2-172.2174.7-6.400109.6I269 R290 G291Q46-I269 WeakPolarHBondContact CG-O 3.46Å; Q46-R290 PolarHBondContact NE2-O 2.91Å; Q46-R290 PolarHBondContact OE1-O 3.41Å; Q46-G291 PolarHBondContact NE2-O 3.28Å
47L93.9Very high92.5Very high27 Ų2762.2 Ų62.214%0.14132%0.322CS..PPolyproline II helixtrans-70.4157.3173.9-70.4172.4000111T49 E217 V218 L219L47-T49 PolarHBondContact O-N 3.45Å; L47-E217 WeakPolarHBondContact CD1-O 3.26Å; L47-V218 WeakPolarHBondContact CD1-O 3.45Å; L47-L219 HydrophobicContact CB-CD2 4.05Å; L47-L219 HydrophobicContact CD1-CD2 3.62Å; L47-L219 HydrophobicContact CD1-CG 4.08Å; L47-L219 HydrophobicContact CG-CD2 4.49Å
48A93.3Very high92Very high60 Ų6060.6 Ų60.650%0.49632%0.318SS..PPolyproline II helixtrans-55.7126.1-179.500000111.2S50 R51 A52A48-S50 PolarHBondContact O-N 2.91Å; A48-S50 VanDerWaalsContact O-N 3.17Å; A48-R51 WeakPolarHBondContact O-CB 3.39Å; A48-R51 PolarHBondContact O-N 3.3Å; A48-A52 PolarHBondContact O-N 2.67Å; A48-A52 VanDerWaalsContact O-N 3.13Å
49T92.2Very high91.4Very high42 Ų4258.5 Ų58.526%0.25831%0.314SS..Hα-helixtrans-58-32.2-178.3-52.90000112.6L47 R51 A52 R53 G291L47-T49 PolarHBondContact O-N 3.45Å; T49-R51 VanDerWaalsContact C-N 3.34Å; T49-R51 PolarHBondContact O-N 2.86Å; T49-A52 PolarHBondContact O-N 3.12Å; T49-R53 HydrophobicContact CG2-CG 4.39Å; T49-R53 WeakPolarHBondContact O-CB 3.21Å; T49-R53 WeakPolarHBondContact O-CG 3.34Å; T49-R53 PolarHBondContact O-N 2.78Å; T49-G291 WeakPolarHBondContact OG1-CA 3.18Å
50S92.5Very high90.6Very high91 Ų9162.7 Ų62.764%0.63635%0.35SS*.Hα-helixtrans-60.5-41.6174.451.40000112.5A48 Q54A48-S50 PolarHBondContact O-N 2.91Å; A48-S50 VanDerWaalsContact O-N 3.17Å; S50-Q54 WeakPolarHBondContact O-CB 3.36Å; S50-Q54 PolarHBondContact O-N 3.36Å
51R93.3Very high89.5Confident40 Ų4065.4 Ų65.415%0.15138%0.382CS..Hα-helixtrans-68.3-46.3176.4-177.9175.4168.2-141.5-17.4110.9A48 T49 R53 Q54 V55 Y195 N196 E217A48-R51 WeakPolarHBondContact O-CB 3.39Å; A48-R51 PolarHBondContact O-N 3.3Å; T49-R51 VanDerWaalsContact C-N 3.34Å; T49-R51 PolarHBondContact O-N 2.86Å; R51-R53 VanDerWaalsContact C-N 3.31Å; R51-R53 PolarHBondContact O-N 2.86Å; R51-Q54 PolarHBondContact O-N 3.26Å; R51-V55 WeakPolarHBondContact O-CG2 3.13Å; R51-V55 PolarHBondContact O-N 3.24Å; R51-V55 VanDerWaalsContact O-N 3.09Å; R51-Y195 PolarHBondContact NE-O 3.31Å; R51-Y195 PolarHBondContact NH2-O 3.45Å; R51-N196 PolarHBondContact NE-OD1 2.94Å; R51-E217 VanDerWaalsContact CZ-O 3.23Å; R51-E217 PolarHBondContact NH1-O 3.29Å; R51-E217 PolarHBondContact NH2-O 2.8Å
52A93Very high88.7Confident1 Ų164.4 Ų64.41%0.00837%0.374CS..Hα-helixtrans-55.8-47.3175.700000111.5A48 T49 Q54 V55 L56 L219A48-A52 PolarHBondContact O-N 2.67Å; A48-A52 VanDerWaalsContact O-N 3.13Å; T49-A52 PolarHBondContact O-N 3.12Å; A52-Q54 PolarHBondContact O-N 3.12Å; A52-V55 PolarHBondContact O-N 2.99Å; A52-L56 WeakPolarHBondContact O-CB 3.39Å; A52-L56 VanDerWaalsContact O-CG 3.25Å; A52-L56 WeakPolarHBondContact O-CG 3.09Å; A52-L56 PolarHBondContact O-N 3.04Å; A52-L219 HydrophobicContact CB-CD2 4.05Å
53R92.3Very high88.3Confident107 Ų10761.2 Ų61.240%0.40436%0.362SS..Hα-helixtrans-63.2-38.9176.8-75.5179.3-174.3162.65.2113.4T49 R51 V55 N57 E293T49-R53 HydrophobicContact CG2-CG 4.39Å; T49-R53 WeakPolarHBondContact O-CB 3.21Å; T49-R53 WeakPolarHBondContact O-CG 3.34Å; T49-R53 PolarHBondContact O-N 2.78Å; R51-R53 VanDerWaalsContact C-N 3.31Å; R51-R53 PolarHBondContact O-N 2.86Å; R53-V55 VanDerWaalsContact C-N 3.33Å; R53-V55 PolarHBondContact O-N 3.14Å; R53-N57 WeakPolarHBondContact O-CA 3.38Å; R53-N57 VanDerWaalsContact O-CB 3.31Å; R53-N57 WeakPolarHBondContact O-CB 3.3Å; R53-N57 PolarHBondContact O-N 3.34Å; R53-N57 PolarHBondContact O-ND2 3.04Å; R53-E293 HydrophobicContact CG-CG 4.23Å; R53-E293 WeakPolarHBondContact CG-OE1 3.36Å; R53-E293 IonicContact CZ-OE1 3.39Å; R53-E293 IonicContact NE-OE1 2.94Å; R53-E293 PolarHBondContact NE-OE1 3.4Å; R53-E293 IonicContact NH2-OE1 2.69Å
54Q92.1Very high88Confident128 Ų12856.6 Ų56.660%0.59835%0.345SS*.Hα-helixtrans-62.6-41.2177.7-177.6-1792.700111.8S50 R51 A52S50-Q54 WeakPolarHBondContact O-CB 3.36Å; S50-Q54 PolarHBondContact O-N 3.36Å; R51-Q54 PolarHBondContact O-N 3.26Å; A52-Q54 PolarHBondContact O-N 3.12Å
55V93.7Very high88Confident1 Ų155.6 Ų55.61%0.00634%0.343CS..Hα-helixtrans-73.1-42.9179.4177.80000111.7R51 A52 R53 T168 L219R51-V55 WeakPolarHBondContact O-CG2 3.13Å; R51-V55 PolarHBondContact O-N 3.24Å; R51-V55 VanDerWaalsContact O-N 3.09Å; A52-V55 PolarHBondContact O-N 2.99Å; R53-V55 VanDerWaalsContact C-N 3.33Å; R53-V55 PolarHBondContact O-N 3.14Å; V55-T168 HydrophobicContact CG1-CG2 3.88Å; V55-T168 WeakPolarHBondContact O-CG2 3.49Å; V55-T168 PolarHBondContact O-OG1 2.99Å; V55-T168 VanDerWaalsContact O-OG1 3.12Å; V55-L219 HydrophobicContact CB-CD1 3.6Å; V55-L219 HydrophobicContact CG1-CD1 3.87Å; V55-L219 HydrophobicContact CG2-CD1 3.45Å; V55-L219 VanDerWaalsContact CG2-CD1 3.45Å
56L92.6Very high88.3Confident2 Ų251 Ų511%0.0131%0.313CS..Hα-helixtrans-80.1-27-175.6-62.6173.1000112.5A52 P58 S64 Y170 I199 A271 E293 N315A52-L56 WeakPolarHBondContact O-CB 3.39Å; A52-L56 VanDerWaalsContact O-CG 3.25Å; A52-L56 WeakPolarHBondContact O-CG 3.09Å; A52-L56 PolarHBondContact O-N 3.04Å; L56-P58 VanDerWaalsContact C-CD 3.43Å; L56-P58 WeakPolarHBondContact O-CD 3.44Å; L56-S64 PolarHBondContact O-OG 3.45Å; L56-Y170 HydrophobicContact CD2-CE1 3.92Å; L56-Y170 WeakPolarHBondContact CD2-OH 3.47Å; L56-I199 HydrophobicContact CD2-CD1 3.98Å; L56-I199 HydrophobicContact CD2-CG2 4.25Å; L56-A271 HydrophobicContact CD1-CB 3.79Å; L56-E293 HydrophobicContact CD1-CB 3.62Å; L56-E293 HydrophobicContact CD1-CG 3.84Å; L56-N315 PolarHBondContact O-ND2 3.33Å
57N90Very high88.6Confident44 Ų4448.6 Ų48.624%0.23530%0.302CS..  trans-12369.9177.7-56.5-76.6000110.4R53 V59 N315R53-N57 WeakPolarHBondContact O-CA 3.38Å; R53-N57 VanDerWaalsContact O-CB 3.31Å; R53-N57 WeakPolarHBondContact O-CB 3.3Å; R53-N57 PolarHBondContact O-N 3.34Å; R53-N57 PolarHBondContact O-ND2 3.04Å; N57-V59 PolarHBondContact O-N 2.79Å; N57-N315 PolarHBondContact OD1-OD1 3.1Å; N57-N315 VanDerWaalsContact OD1-OD1 3.12Å
58P80.9Confident88.8Confident67 Ų6748.3 Ų48.344%0.43530%0.3SS..  trans-63.8-22.2-177.926.4-35.4000113.1L56 S64L56-P58 VanDerWaalsContact C-CD 3.43Å; L56-P58 WeakPolarHBondContact O-CD 3.44Å; P58-S64 WeakPolarHBondContact CD-OG 3.29Å
59V80.3Confident89Confident70 Ų7046 Ų4642%0.42428%0.279SS..SBendtrans-108.1113.1175.1-176.50000109N57 G61 K62 T92N57-V59 PolarHBondContact O-N 2.79Å; V59-G61 PolarHBondContact O-N 2.62Å; V59-K62 HydrophobicContact CB-CB 4.49Å; V59-K62 HydrophobicContact CG1-CB 4.12Å; V59-K62 PolarHBondContact O-N 2.72Å; V59-T92 HydrophobicContact CG2-CG2 4.21Å
60A71.3Confident89.2Confident101 Ų10144 Ų4484%0.83527%0.266SS*.THydrogen-bonded Turntrans-58.8129.2-177.800000111.7K62A60-K62 VanDerWaalsContact C-N 3.29Å; A60-K62 PolarHBondContact O-N 3.42Å
61G67.3Low89.3Confident94 Ų9439.7 Ų39.797%0.96924%0.236SC*.THydrogen-bonded Turntrans77617500000115.5V59V59-G61 PolarHBondContact O-N 2.62Å
62K77.6Confident89.4Confident117 Ų11738.3 Ų38.351%0.50923%0.234SC..SBendtrans-126.7125.2175.2-169.8179.5179.1-176.70110.1V59 A60V59-K62 HydrophobicContact CB-CB 4.49Å; V59-K62 HydrophobicContact CG1-CB 4.12Å; V59-K62 PolarHBondContact O-N 2.72Å; A60-K62 VanDerWaalsContact C-N 3.29Å; A60-K62 PolarHBondContact O-N 3.42Å
63A83.9Confident89.5Confident10 Ų1039.6 Ų39.68%0.08324%0.24CC..PPolyproline II helixtrans-62.4140.5172.300000110.5Q309 I314A63-Q309 HydrophobicContact CB-CB 4.48Å; A63-Q309 HydrophobicContact CB-CG 4.12Å; A63-I314 WeakPolarHBondContact CB-O 3.18Å
64S88Confident89.7Confident3 Ų334.7 Ų34.72%0.02122%0.222CC..PPolyproline II helixtrans-79.6134.1-178.5-84.20000111.8L56 P58 I66 T92 N315 Y316L56-S64 PolarHBondContact O-OG 3.45Å; P58-S64 WeakPolarHBondContact CD-OG 3.29Å; S64-I66 WeakPolarHBondContact O-CD1 3.3Å; S64-T92 VanDerWaalsContact CA-OG1 3.26Å; S64-T92 WeakPolarHBondContact CA-OG1 3.09Å; S64-T92 WeakPolarHBondContact CB-OG1 3.28Å; S64-T92 WeakPolarHBondContact OG-CB 3.26Å; S64-T92 PolarHBondContact OG-OG1 3.44Å; S64-N315 WeakPolarHBondContact CB-OD1 3.26Å; S64-N315 PolarHBondContact N-OD1 3.35Å; S64-N315 WeakPolarHBondContact O-CA 3.46Å; S64-Y316 PolarHBondContact O-N 2.81Å; S64-Y316 VanDerWaalsContact O-N 3.1Å
65A95.7Very high90Very high14 Ų1428.6 Ų28.612%0.11619%0.193CC..EExtended strand (participates in β ladder)trans-91.7122.1162.800000108.4T92 Y316 L321A65-T92 PolarHBondContact N-OG1 2.91Å; A65-T92 PolarHBondContact O-N 2.75Å; A65-T92 PolarHBondContact O-OG1 3.3Å; A65-Y316 HydrophobicContact CB-CE2 3.96Å; A65-L321 HydrophobicContact CB-CD2 4.16Å
66I97.9Very high90.2Very high1 Ų128.6 Ų28.61%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-107.4124.2178.6-60.687.4000108.1S64 H68 G93 E95 Y170 V295 N315 Y316 I317 T318S64-I66 WeakPolarHBondContact O-CD1 3.3Å; I66-H68 PolarHBondContact O-N 2.87Å; I66-G93 WeakPolarHBondContact CA-O 3.39Å; I66-E95 HydrophobicContact CG2-CB 4.03Å; I66-Y170 HydrophobicContact CD1-CE2 4.38Å; I66-Y170 HydrophobicContact CG1-CD2 4.15Å; I66-Y170 HydrophobicContact CG1-CE2 3.55Å; I66-Y170 HydrophobicContact CG2-CD2 3.91Å; I66-Y170 HydrophobicContact CG2-CE2 4.19Å; I66-Y170 HydrophobicContact CG2-CG 4.34Å; I66-V295 HydrophobicContact CD1-CG1 4.36Å; I66-N315 HydrophobicContact CD1-CB 3.78Å; I66-Y316 VanDerWaalsContact CD1-O 3.25Å; I66-Y316 WeakPolarHBondContact CD1-O 3.24Å; I66-Y316 PolarHBondContact N-O 2.76Å; I66-I317 HydrophobicContact CB-CG1 3.87Å; I66-I317 HydrophobicContact CG2-CG1 3.98Å; I66-I317 CarbonylContact O-C 3.45Å; I66-I317 VanDerWaalsContact O-CA 3.31Å; I66-I317 WeakPolarHBondContact O-CA 3.39Å; I66-T318 PolarHBondContact O-N 3.26Å
67A98.1Very high90.5Very high0 Ų030 Ų300%020%0.2CC..EExtended strand (participates in β ladder)trans-79.3113.3178.800000109.9R69 G70 A86 A91 G93 V94 E95 L321A67-R69 PolarHBondContact O-N 2.79Å; A67-G70 PolarHBondContact O-N 2.82Å; A67-G70 VanDerWaalsContact O-N 3.12Å; A67-A86 HydrophobicContact CB-CB 3.51Å; A67-A91 HydrophobicContact CB-CB 4.16Å; A67-G93 PolarHBondContact N-O 2.63Å; A67-V94 HydrophobicContact CB-CG1 4.16Å; A67-E95 PolarHBondContact O-N 3.47Å; A67-L321 HydrophobicContact CB-CD1 3.65Å
68H97.9Very high90.9Very high22 Ų2228.1 Ų28.110%0.10219%0.19CC..G310 helixtrans-63.1118.8178.8-172.5-144.3000109.5I66 G70 G71 G72 E95 T298 I317 T318 D319I66-H68 PolarHBondContact O-N 2.87Å; H68-G70 PolarHBondContact O-N 2.73Å; H68-G71 WeakPolarHBondContact O-CA 3.5Å; H68-G71 PolarHBondContact O-N 3.35Å; H68-G72 PolarHBondContact O-N 2.69Å; H68-E95 IonicContact CD2-OE2 3.35Å; H68-E95 PolarHBondContact CD2-OE2 3.21Å; H68-E95 IonicContact NE2-OE2 2.72Å; H68-T298 HydrophobicContact CB-CG2 4.46Å; H68-I317 HydrophobicContact CB-CG2 3.45Å; H68-I317 VanDerWaalsContact CB-CG2 3.45Å; H68-T318 VanDerWaalsContact CB-O 3.28Å; H68-T318 WeakPolarHBondContact CB-O 3.46Å; H68-T318 PolarHBondContact N-O 3.49Å; H68-D319 IonicContact CE1-OD1 2.71Å; H68-D319 IonicContact CG-OD1 3.47Å; H68-D319 IonicContact ND1-OD1 3.46Å; H68-D319 PolarHBondContact ND1-OD1 2.86Å
69R97.8Very high91.7Very high12 Ų1225 Ų255%0.04517%0.169CC..G310 helixtrans54.132.3-173.9-45.4-176.4-167158.911.5113.6A67 E77 N78 E95 D97 H110A67-R69 PolarHBondContact O-N 2.79Å; R69-E77 HydrophobicContact CB-CB 3.71Å; R69-E77 WeakPolarHBondContact CD-OE1 3.4Å; R69-E77 IonicContact CZ-OE1 3.57Å; R69-E77 IonicContact NH1-OE1 3.78Å; R69-E77 PolarHBondContact NH1-OE1 3.03Å; R69-E77 IonicContact NH1-OE2 3.53Å; R69-E77 CarbonylContact O-C 3.59Å; R69-E77 WeakPolarHBondContact O-CA 3.49Å; R69-N78 PolarHBondContact O-N 3.34Å; R69-E95 CarbonylContact C-O 3.14Å; R69-E95 WeakPolarHBondContact CA-O 3.27Å; R69-E95 WeakPolarHBondContact CG-OE2 3.42Å; R69-E95 PolarHBondContact N-O 2.88Å; R69-E95 PolarHBondContact N-OE2 2.85Å; R69-D97 WeakPolarHBondContact CD-OD2 3.49Å; R69-D97 VanDerWaalsContact CG-OD2 3.26Å; R69-D97 WeakPolarHBondContact CG-OD2 3.37Å; R69-D97 IonicContact NE-OD2 3.74Å; R69-D97 PolarHBondContact NE-OD2 3.2Å; R69-H110 VanDerWaalsContact CZ-CG 3.43Å; R69-H110 PolarHBondContact NE-CD2 3.29Å; R69-H110 PolarHBondContact NH2-CD2 3.41Å; R69-H110 PolarHBondContact NH2-CE1 3.42Å; R69-H110 PolarHBondContact NH2-NE2 3.21Å
70G97.1Very high92.6Very high0 Ų022.8 Ų22.80%016%0.155CC..G310 helixtrans79.314.9-171.900000115A67 H68 A82 E95A67-G70 PolarHBondContact O-N 2.82Å; A67-G70 VanDerWaalsContact O-N 3.12Å; H68-G70 PolarHBondContact O-N 2.73Å; G70-A82 CarbonylContact O-C 3.51Å; G70-A82 WeakPolarHBondContact O-CB 3.4Å; G70-E95 PolarHBondContact N-O 3.23Å
71G95.3Very high93.9Very high0 Ų018.4 Ų18.40%012%0.119CC..THydrogen-bonded Turntrans85.763.1-176.800000110.7H68 H73 D74 A75 D319H68-G71 WeakPolarHBondContact O-CA 3.5Å; H68-G71 PolarHBondContact O-N 3.35Å; G71-H73 PolarHBondContact O-N 3.39Å; G71-D74 WeakPolarHBondContact O-CA 3.47Å; G71-D74 PolarHBondContact O-N 3.36Å; G71-A75 PolarHBondContact O-N 3.3Å; G71-D319 CarbonylContact C-O 3.58Å; G71-D319 VanDerWaalsContact CA-O 3.3Å; G71-D319 WeakPolarHBondContact CA-O 3.33Å
72G94Very high95.4Very high11 Ų1113.9 Ų13.911%0.1137%0.072CC..THydrogen-bonded Turntrans-57.6-16.6-172.800000115.7H68 A75 H141 D319H68-G72 PolarHBondContact O-N 2.69Å; G72-A75 CarbonylContact C-O 3.45Å; G72-A75 WeakPolarHBondContact CA-O 3.47Å; G72-H141 PolarHBondContact O-NE2 2.93Å; G72-D319 PolarHBondContact N-O 2.82Å
73H96.1Very high96.4Very high27 Ų278.3 Ų8.313%0.1255%0.048CC..THydrogen-bonded Turntrans-83.9-35.4170-165.473.5000111.1G71 R142 D319 E323 C325G71-H73 PolarHBondContact O-N 3.39Å; H73-R142 PolarHBondContact CD2-NH1 3.04Å; H73-R142 VanDerWaalsContact CD2-NH1 3.29Å; H73-R142 PolarHBondContact CD2-NH2 3.19Å; H73-R142 VanDerWaalsContact CE1-CZ 3.48Å; H73-R142 PolarHBondContact CE1-NH1 3.33Å; H73-R142 PolarHBondContact ND1-NH1 2.83Å; H73-R142 VanDerWaalsContact NE2-CZ 3.3Å; H73-R142 PolarHBondContact NE2-NH1 2.86Å; H73-R142 PolarHBondContact NE2-NH2 2.83Å; H73-R142 PolarHBondContact O-NH1 3.15Å; H73-R142 PolarHBondContact O-NH2 3.26Å; H73-D319 HydrophobicContact CB-CB 4.12Å; H73-D319 WeakPolarHBondContact CB-O 3.5Å; H73-D319 PolarHBondContact N-O 2.84Å; H73-E323 IonicContact CD2-OE1 3.25Å; H73-E323 PolarHBondContact CD2-OE1 2.71Å; H73-E323 IonicContact CE1-OE1 3.52Å; H73-E323 IonicContact NE2-OE1 3.92Å; H73-E323 PolarHBondContact NE2-OE1 2.96Å; H73-C325 WeakPolarHBondContact CE1-CB 3.33Å; H73-C325 WeakPolarHBondContact NE2-CB 3.21Å
74D97Very high97.1Very high4 Ų413 Ų132%0.0216%0.064CC..THydrogen-bonded Turntrans-81.2-29.8-175.2-61.9-12.7000112.4G71 E85 N89 S320 L321 V322G71-D74 WeakPolarHBondContact O-CA 3.47Å; G71-D74 PolarHBondContact O-N 3.36Å; D74-E85 HydrophobicContact CB-CG 4.32Å; D74-N89 PolarHBondContact OD2-ND2 3.17Å; D74-S320 WeakPolarHBondContact OD1-CA 3.49Å; D74-S320 VanDerWaalsContact OD1-CB 3.29Å; D74-S320 WeakPolarHBondContact OD1-CB 3.3Å; D74-S320 PolarHBondContact OD1-OG 2.88Å; D74-L321 PolarHBondContact OD2-N 2.69Å; D74-V322 WeakPolarHBondContact OD1-CG2 3.34Å
75A97.8Very high97.6Very high0 Ų013.7 Ų13.70%07%0.067CC..SBendtrans-155.2161.9-178.100000111.1G71 G72 E77 A82 E85 H141 F147G71-A75 PolarHBondContact O-N 3.3Å; G72-A75 CarbonylContact C-O 3.45Å; G72-A75 WeakPolarHBondContact CA-O 3.47Å; A75-E77 PolarHBondContact O-N 3.03Å; A75-E77 VanDerWaalsContact O-N 3.09Å; A75-A82 HydrophobicContact CB-CB 3.85Å; A75-E85 HydrophobicContact CB-CB 3.83Å; A75-E85 HydrophobicContact CB-CG 4.18Å; A75-H141 PolarHBondContact O-NE2 3.48Å; A75-F147 HydrophobicContact CB-CE1 4.1Å; A75-F147 HydrophobicContact CB-CE2 4Å; A75-F147 HydrophobicContact CB-CZ 3.62Å
76P97.9Very high97.7Very high2 Ų213 Ų131%0.0136%0.061CC..  trans-55.9117.6-178.8-21.830.9000111.9T79 A82 A137 H141 F147P76-T79 HydrophobicContact CB-CG2 4.1Å; P76-T79 WeakPolarHBondContact O-CB 3.21Å; P76-T79 WeakPolarHBondContact O-CG2 3.46Å; P76-T79 PolarHBondContact O-OG1 2.8Å; P76-A82 WeakPolarHBondContact O-CB 3.34Å; P76-A137 WeakPolarHBondContact CB-O 3.45Å; P76-H141 HydrophobicContact CB-CB 4.19Å; P76-H141 HydrophobicContact CG-CB 3.9Å; P76-F147 VanDerWaalsContact CD-CD2 3.41Å; P76-F147 HydrophobicContact CG-CB 3.79Å; P76-F147 HydrophobicContact CG-CD2 3.97Å; P76-F147 HydrophobicContact CG-CG 3.98Å
77E97.9Very high97.7Very high31 Ų3114.8 Ų14.815%0.1457%0.073CC..THydrogen-bonded Turntrans-53.3147.8-173.268.6-175.6-107.500113.5R69 A75 T79 R116 T117R69-E77 HydrophobicContact CB-CB 3.71Å; R69-E77 WeakPolarHBondContact CD-OE1 3.4Å; R69-E77 IonicContact CZ-OE1 3.57Å; R69-E77 IonicContact NH1-OE1 3.78Å; R69-E77 PolarHBondContact NH1-OE1 3.03Å; R69-E77 IonicContact NH1-OE2 3.53Å; R69-E77 CarbonylContact O-C 3.59Å; R69-E77 WeakPolarHBondContact O-CA 3.49Å; A75-E77 PolarHBondContact O-N 3.03Å; A75-E77 VanDerWaalsContact O-N 3.09Å; E77-T79 VanDerWaalsContact C-N 3.27Å; E77-T79 PolarHBondContact O-N 3.31Å; E77-R116 VanDerWaalsContact CD-NH1 3.33Å; E77-R116 IonicContact OE1-CZ 3.16Å; E77-R116 IonicContact OE1-NH1 3.94Å; E77-R116 PolarHBondContact OE1-NH1 3.5Å; E77-R116 IonicContact OE1-NH2 2.61Å; E77-R116 PolarHBondContact OE1-NH2 3.37Å; E77-R116 IonicContact OE2-CZ 3.07Å; E77-R116 IonicContact OE2-NH1 3.9Å; E77-R116 PolarHBondContact OE2-NH1 3.38Å; E77-R116 IonicContact OE2-NH2 2.74Å; E77-T117 HydrophobicContact CG-CG2 3.87Å
78N98.4Very high97.7Very high5 Ų522.4 Ų22.43%0.02710%0.102CC..THydrogen-bonded Turntrans5833.7176.4-76.1-58000114.3R69 D97 L108 P153R69-N78 PolarHBondContact O-N 3.34Å; N78-D97 PolarHBondContact ND2-OD2 2.79Å; N78-D97 PolarHBondContact OD1-N 3.19Å; N78-L108 HydrophobicContact CB-CB 3.77Å; N78-L108 WeakPolarHBondContact O-CB 3.36Å; N78-P153 WeakPolarHBondContact O-CD 3.49Å; N78-P153 VanDerWaalsContact O-CG 3.24Å; N78-P153 WeakPolarHBondContact O-CG 3.41Å
79T98.7Very high97.7Very high0 Ų023.5 Ų23.50%011%0.109CC..SBendtrans-120.7163.9177.567.70000113P76 E77 A81 A82 I83 A137 E150P76-T79 HydrophobicContact CB-CG2 4.1Å; P76-T79 WeakPolarHBondContact O-CB 3.21Å; P76-T79 WeakPolarHBondContact O-CG2 3.46Å; P76-T79 PolarHBondContact O-OG1 2.8Å; E77-T79 VanDerWaalsContact C-N 3.27Å; E77-T79 PolarHBondContact O-N 3.31Å; T79-A81 VanDerWaalsContact C-N 3.28Å; T79-A81 PolarHBondContact O-N 2.71Å; T79-A82 PolarHBondContact O-N 2.93Å; T79-A82 PolarHBondContact OG1-N 3.12Å; T79-A82 VanDerWaalsContact OG1-N 3.12Å; T79-I83 WeakPolarHBondContact O-CG1 3.29Å; T79-I83 PolarHBondContact O-N 3.38Å; T79-I83 VanDerWaalsContact O-N 3.14Å; T79-A137 HydrophobicContact CG2-CB 3.76Å; T79-E150 VanDerWaalsContact CB-CG 3.44Å; T79-E150 WeakPolarHBondContact CB-OE1 3.39Å; T79-E150 HydrophobicContact CG2-CG 3.54Å
80I98.7Very high97.6Very high24 Ų2425.3 Ų25.312%0.12313%0.132CC..Hα-helixtrans-65.2-37174.2-58.3-55.5000110.3A82 I83 R84 E150 P153 E157 A158 E161I80-A82 VanDerWaalsContact C-N 3.32Å; I80-A82 PolarHBondContact O-N 3.03Å; I80-I83 HydrophobicContact CD1-CD1 4.27Å; I80-I83 PolarHBondContact O-N 2.98Å; I80-R84 WeakPolarHBondContact O-CG 3.39Å; I80-R84 PolarHBondContact O-N 3.41Å; I80-E150 PolarHBondContact N-OE1 2.86Å; I80-P153 HydrophobicContact CD1-CB 3.81Å; I80-P153 HydrophobicContact CD1-CG 4.42Å; I80-P153 HydrophobicContact CG1-CB 3.94Å; I80-E157 HydrophobicContact CD1-CB 4.19Å; I80-A158 HydrophobicContact CD1-CB 4.31Å; I80-E161 HydrophobicContact CD1-CB 4.43Å; I80-E161 HydrophobicContact CG2-CB 4.49Å; I80-E161 HydrophobicContact CG2-CG 4.01Å
81A98.5Very high97.6Very high9 Ų925.7 Ų25.77%0.07414%0.135CC..Hα-helixtrans-57.8-43.3172.900000112.4T79 R84 E85 F147 E150T79-A81 VanDerWaalsContact C-N 3.28Å; T79-A81 PolarHBondContact O-N 2.71Å; A81-R84 PolarHBondContact O-N 2.69Å; A81-E85 WeakPolarHBondContact O-CB 3.39Å; A81-E85 PolarHBondContact O-N 2.94Å; A81-F147 HydrophobicContact CB-CD1 3.67Å; A81-F147 HydrophobicContact CB-CE1 4.06Å; A81-E150 HydrophobicContact CB-CG 4.05Å; A81-E150 WeakPolarHBondContact CB-OE1 3.35Å; A81-E150 WeakPolarHBondContact CB-OE2 3.38Å; A81-E150 PolarHBondContact N-OE1 2.82Å
82A98.6Very high97.6Very high0 Ų027.1 Ų27.10%014%0.143CC..Hα-helixtrans-64.5-45.117700000112.5G70 A75 P76 T79 I80 R84 E85 A86G70-A82 CarbonylContact O-C 3.51Å; G70-A82 WeakPolarHBondContact O-CB 3.4Å; A75-A82 HydrophobicContact CB-CB 3.85Å; P76-A82 WeakPolarHBondContact O-CB 3.34Å; T79-A82 PolarHBondContact O-N 2.93Å; T79-A82 PolarHBondContact OG1-N 3.12Å; T79-A82 VanDerWaalsContact OG1-N 3.12Å; I80-A82 VanDerWaalsContact C-N 3.32Å; I80-A82 PolarHBondContact O-N 3.03Å; A82-R84 VanDerWaalsContact C-N 3.27Å; A82-R84 PolarHBondContact O-N 2.89Å; A82-E85 PolarHBondContact O-N 3.24Å; A82-E85 VanDerWaalsContact O-N 3.12Å; A82-A86 WeakPolarHBondContact O-CB 3.43Å; A82-A86 PolarHBondContact O-N 2.92Å
83I98.8Very high97.8Very high0 Ų026.6 Ų26.60%014%0.138CC..Hα-helixtrans-55.5-44174.7-64.1167.9000111.3T79 I80 S87 L96 A158 E161 L165 L167T79-I83 WeakPolarHBondContact O-CG1 3.29Å; T79-I83 PolarHBondContact O-N 3.38Å; T79-I83 VanDerWaalsContact O-N 3.14Å; I80-I83 HydrophobicContact CD1-CD1 4.27Å; I80-I83 PolarHBondContact O-N 2.98Å; I83-S87 PolarHBondContact O-N 3.35Å; I83-S87 VanDerWaalsContact O-N 3.14Å; I83-L96 HydrophobicContact CD1-CD1 4.15Å; I83-L96 HydrophobicContact CD1-CD2 4.13Å; I83-L96 HydrophobicContact CG1-CD2 4.01Å; I83-A158 HydrophobicContact CD1-CB 3.69Å; I83-E161 HydrophobicContact CG2-CB 4.45Å; I83-E161 HydrophobicContact CG2-CG 4.12Å; I83-L165 HydrophobicContact CG2-CD1 3.97Å; I83-L167 HydrophobicContact CG2-CD1 3.78Å
84R98.6Very high97.9Very high107 Ų10725.3 Ų25.340%0.40413%0.132SC..Hα-helixtrans-69.8-36.4177.8-71.3173.7176.9156.29.1113.4I80 A81 A82 R88 E161 L165I80-R84 WeakPolarHBondContact O-CG 3.39Å; I80-R84 PolarHBondContact O-N 3.41Å; A81-R84 PolarHBondContact O-N 2.69Å; A82-R84 VanDerWaalsContact C-N 3.27Å; A82-R84 PolarHBondContact O-N 2.89Å; R84-R88 WeakPolarHBondContact O-CG 3.45Å; R84-R88 PolarHBondContact O-N 2.96Å; R84-R88 PolarHBondContact O-NE 3.14Å; R84-E161 HydrophobicContact CG-CG 4.2Å; R84-E161 WeakPolarHBondContact CG-OE1 3.38Å; R84-E161 IonicContact CZ-OE1 3.3Å; R84-E161 IonicContact CZ-OE2 3.69Å; R84-E161 VanDerWaalsContact NE-CD 3.27Å; R84-E161 IonicContact NE-OE1 3.49Å; R84-E161 PolarHBondContact NE-OE1 3.49Å; R84-E161 IonicContact NE-OE2 2.75Å; R84-E161 IonicContact NH2-OE1 3.58Å; R84-E161 PolarHBondContact NH2-OE1 2.97Å; R84-E161 IonicContact NH2-OE2 2.67Å; R84-E161 PolarHBondContact NH2-OE2 2.99Å; R84-L165 HydrophobicContact CG-CD1 4.14Å
85E98.4Very high98Very high19 Ų1925.4 Ų25.49%0.08913%0.132CC..Hα-helixtrans-69.5-44175.9-163.378.6-16200110.5D74 A75 A81 A82 S87 R88 N89 K146D74-E85 HydrophobicContact CB-CG 4.32Å; A75-E85 HydrophobicContact CB-CB 3.83Å; A75-E85 HydrophobicContact CB-CG 4.18Å; A81-E85 WeakPolarHBondContact O-CB 3.39Å; A81-E85 PolarHBondContact O-N 2.94Å; A82-E85 PolarHBondContact O-N 3.24Å; A82-E85 VanDerWaalsContact O-N 3.12Å; E85-S87 VanDerWaalsContact C-N 3.35Å; E85-S87 PolarHBondContact O-N 3.1Å; E85-R88 CarbonylContact O-C 3.53Å; E85-R88 WeakPolarHBondContact O-CB 3.36Å; E85-R88 PolarHBondContact O-N 2.82Å; E85-R88 VanDerWaalsContact O-N 3.08Å; E85-R88 IonicContact OE2-CZ 3.82Å; E85-R88 IonicContact OE2-NE 3.8Å; E85-R88 IonicContact OE2-NH1 2.69Å; E85-R88 IonicContact OE2-NH2 3.36Å; E85-R88 PolarHBondContact OE2-NH2 2.8Å; E85-N89 WeakPolarHBondContact O-CB 3.24Å; E85-N89 VanDerWaalsContact O-CG 3.3Å; E85-N89 PolarHBondContact O-N 3.19Å; E85-K146 IonicContact OE1-NZ 3.37Å; E85-K146 PolarHBondContact OE1-NZ 2.81Å; E85-K146 IonicContact OE2-NZ 2.72Å; E85-K146 PolarHBondContact OE2-NZ 2.86Å; E85-K146 VanDerWaalsContact OE2-NZ 3.07Å
86A98.4Very high98Very high0 Ų025.4 Ų25.40%013%0.132CC..Hα-helixtrans-54-48.6174.100000112.2A67 A82 R88 N89 G90 A91 V94A67-A86 HydrophobicContact CB-CB 3.51Å; A82-A86 WeakPolarHBondContact O-CB 3.43Å; A82-A86 PolarHBondContact O-N 2.92Å; A86-R88 PolarHBondContact O-N 3.14Å; A86-N89 CarbonylContact O-C 3.6Å; A86-N89 PolarHBondContact O-N 3.04Å; A86-G90 PolarHBondContact O-N 3.12Å; A86-A91 HydrophobicContact CB-CB 3.94Å; A86-A91 WeakPolarHBondContact O-CB 3.5Å; A86-A91 PolarHBondContact O-N 2.93Å; A86-V94 HydrophobicContact CB-CG1 3.74Å
87S98.1Very high98Very high37 Ų3725.4 Ų25.426%0.25913%0.132SC..Hα-helixtrans-58.9-44.7175.4-178.40000112.1I83 E85 N89 G90I83-S87 PolarHBondContact O-N 3.35Å; I83-S87 VanDerWaalsContact O-N 3.14Å; E85-S87 VanDerWaalsContact C-N 3.35Å; E85-S87 PolarHBondContact O-N 3.1Å; S87-N89 VanDerWaalsContact C-N 3.29Å; S87-N89 PolarHBondContact O-N 3.19Å; S87-G90 PolarHBondContact O-N 3.3Å; S87-G90 VanDerWaalsContact O-N 3.1Å
88R98.1Very high98.1Very high161 Ų16124.3 Ų24.361%0.60813%0.127SC*.Hα-helixtrans-63.5-34177-77.9-178.6-74.6168.80.4112.8R84 E85 A86 G90R84-R88 WeakPolarHBondContact O-CG 3.45Å; R84-R88 PolarHBondContact O-N 2.96Å; R84-R88 PolarHBondContact O-NE 3.14Å; E85-R88 CarbonylContact O-C 3.53Å; E85-R88 WeakPolarHBondContact O-CB 3.36Å; E85-R88 PolarHBondContact O-N 2.82Å; E85-R88 VanDerWaalsContact O-N 3.08Å; E85-R88 IonicContact OE2-CZ 3.82Å; E85-R88 IonicContact OE2-NE 3.8Å; E85-R88 IonicContact OE2-NH1 2.69Å; E85-R88 IonicContact OE2-NH2 3.36Å; E85-R88 PolarHBondContact OE2-NH2 2.8Å; A86-R88 PolarHBondContact O-N 3.14Å; R88-G90 PolarHBondContact O-N 3.03Å
89N97.2Very high98Very high44 Ų4424.5 Ų24.524%0.23513%0.131CC..THydrogen-bonded Turntrans-80.73.7177.6-64.4-10000113D74 E85 A86 S87 L321 V322D74-N89 PolarHBondContact OD2-ND2 3.17Å; E85-N89 WeakPolarHBondContact O-CB 3.24Å; E85-N89 VanDerWaalsContact O-CG 3.3Å; E85-N89 PolarHBondContact O-N 3.19Å; A86-N89 CarbonylContact O-C 3.6Å; A86-N89 PolarHBondContact O-N 3.04Å; S87-N89 VanDerWaalsContact C-N 3.29Å; S87-N89 PolarHBondContact O-N 3.19Å; N89-L321 HydrophobicContact CB-CB 3.72Å; N89-L321 HydrophobicContact CB-CD1 4.45Å; N89-L321 HydrophobicContact CB-CD2 4.37Å; N89-L321 HydrophobicContact CB-CG 4.4Å; N89-V322 HydrophobicContact CB-CG1 4.05Å
90G95.6Very high97.9Very high51 Ų5126 Ų2653%0.52614%0.137SC..THydrogen-bonded Turntrans85.217.7174.800000114.6A86 S87 R88A86-G90 PolarHBondContact O-N 3.12Å; S87-G90 PolarHBondContact O-N 3.3Å; S87-G90 VanDerWaalsContact O-N 3.1Å; R88-G90 PolarHBondContact O-N 3.03Å
91A96.9Very high97.8Very high8 Ų825.1 Ų25.17%0.06613%0.133CC..  trans-61.4138.6171.300000110A67 A86 L167 L321A67-A91 HydrophobicContact CB-CB 4.16Å; A86-A91 HydrophobicContact CB-CB 3.94Å; A86-A91 WeakPolarHBondContact O-CB 3.5Å; A86-A91 PolarHBondContact O-N 2.93Å; A91-L167 WeakPolarHBondContact O-CD2 3.11Å; A91-L321 HydrophobicContact CB-CD1 4.19Å; A91-L321 HydrophobicContact CB-CD2 3.6Å
92T96.4Very high97.8Very high30 Ų3027.4 Ų27.418%0.18415%0.152CC..SBendtrans-92.1-12.9173.3490000112.3V59 S64 A65 T168V59-T92 HydrophobicContact CG2-CG2 4.21Å; S64-T92 VanDerWaalsContact CA-OG1 3.26Å; S64-T92 WeakPolarHBondContact CA-OG1 3.09Å; S64-T92 WeakPolarHBondContact CB-OG1 3.28Å; S64-T92 WeakPolarHBondContact OG-CB 3.26Å; S64-T92 PolarHBondContact OG-OG1 3.44Å; A65-T92 PolarHBondContact N-OG1 2.91Å; A65-T92 PolarHBondContact O-N 2.75Å; A65-T92 PolarHBondContact O-OG1 3.3Å; T92-T168 PolarHBondContact O-N 3.49Å
93G97.9Very high97.8Very high0 Ų031.8 Ų31.80%018%0.175CC..EExtended strand (participates in β ladder)trans-158.4169.3175.800000111.9I66 A67 T168I66-G93 WeakPolarHBondContact CA-O 3.39Å; A67-G93 PolarHBondContact N-O 2.63Å; G93-T168 CarbonylContact C-O 3.55Å; G93-T168 WeakPolarHBondContact CA-O 3.47Å
94V98.6Very high97.6Very high0 Ų034 Ų340%020%0.198CC..EExtended strand (participates in β ladder)trans-131139.7176.1-66.70000108.6A67 A86 L96 C162 L167 T168 I169 Y170A67-V94 HydrophobicContact CB-CG1 4.16Å; A86-V94 HydrophobicContact CB-CG1 3.74Å; V94-L96 HydrophobicContact CB-CD2 4.38Å; V94-L96 HydrophobicContact CB-CG 4.48Å; V94-L96 HydrophobicContact CG2-CD1 4.03Å; V94-L96 HydrophobicContact CG2-CD2 4.23Å; V94-L96 HydrophobicContact CG2-CG 4.03Å; V94-C162 VanDerWaalsContact CG2-SG 3.55Å; V94-L167 HydrophobicContact CG1-CD1 3.89Å; V94-L167 HydrophobicContact CG2-CD1 4.46Å; V94-T168 PolarHBondContact N-O 3.41Å; V94-I169 CarbonylContact O-C 3.4Å; V94-Y170 PolarHBondContact O-N 2.8Å
95E98.6Very high97.6Very high6 Ų630.8 Ų30.83%0.02819%0.19CC..EExtended strand (participates in β ladder)trans-93.9139165.1178.6-71.7135.500108I66 A67 H68 R69 G70 Y170 D172I66-E95 HydrophobicContact CG2-CB 4.03Å; A67-E95 PolarHBondContact O-N 3.47Å; H68-E95 IonicContact CD2-OE2 3.35Å; H68-E95 PolarHBondContact CD2-OE2 3.21Å; H68-E95 IonicContact NE2-OE2 2.72Å; R69-E95 CarbonylContact C-O 3.14Å; R69-E95 WeakPolarHBondContact CA-O 3.27Å; R69-E95 WeakPolarHBondContact CG-OE2 3.42Å; R69-E95 PolarHBondContact N-O 2.88Å; R69-E95 PolarHBondContact N-OE2 2.85Å; G70-E95 PolarHBondContact N-O 3.23Å; E95-Y170 CarbonylContact C-O 3.33Å; E95-Y170 VanDerWaalsContact CA-O 3.3Å; E95-Y170 WeakPolarHBondContact CA-O 3.28Å; E95-D172 HydrophobicContact CG-CB 4.36Å; E95-D172 WeakPolarHBondContact OE1-CB 3.44Å
96L98.5Very high97.6Very high0 Ų031.6 Ų31.60%020%0.197CC..EExtended strand (participates in β ladder)trans-140.5128.3-175-56.7172.2000109.7I83 V94 L108 A158 I169 Y170 D172I83-L96 HydrophobicContact CD1-CD1 4.15Å; I83-L96 HydrophobicContact CD1-CD2 4.13Å; I83-L96 HydrophobicContact CG1-CD2 4.01Å; V94-L96 HydrophobicContact CB-CD2 4.38Å; V94-L96 HydrophobicContact CB-CG 4.48Å; V94-L96 HydrophobicContact CG2-CD1 4.03Å; V94-L96 HydrophobicContact CG2-CD2 4.23Å; V94-L96 HydrophobicContact CG2-CG 4.03Å; L96-L108 HydrophobicContact CB-CD1 4.11Å; L96-L108 HydrophobicContact CB-CD2 4.05Å; L96-L108 HydrophobicContact CD1-CD1 4.05Å; L96-L108 HydrophobicContact CD2-CD1 3.84Å; L96-L108 HydrophobicContact CG-CD1 4.21Å; L96-A158 HydrophobicContact CD1-CB 4.14Å; L96-I169 HydrophobicContact CD1-CG2 3.89Å; L96-I169 HydrophobicContact CG-CG2 4.49Å; L96-Y170 PolarHBondContact N-O 3.12Å; L96-D172 PolarHBondContact O-N 2.71Å
97D98.1Very high97.6Very high1 Ų131.6 Ų31.61%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-81.8120.5-178.8-66.4-84.6000111.3R69 N78 L108 M109 H110 K174R69-D97 WeakPolarHBondContact CD-OD2 3.49Å; R69-D97 VanDerWaalsContact CG-OD2 3.26Å; R69-D97 WeakPolarHBondContact CG-OD2 3.37Å; R69-D97 IonicContact NE-OD2 3.74Å; R69-D97 PolarHBondContact NE-OD2 3.2Å; N78-D97 PolarHBondContact ND2-OD2 2.79Å; N78-D97 PolarHBondContact OD1-N 3.19Å; D97-L108 VanDerWaalsContact O-CA 3.28Å; D97-L108 WeakPolarHBondContact O-CA 3.42Å; D97-M109 PolarHBondContact O-N 2.98Å; D97-M109 VanDerWaalsContact O-N 3.1Å; D97-H110 HydrophobicContact CB-CB 4.32Å; D97-H110 IonicContact OD1-CD2 3.66Å; D97-H110 PolarHBondContact OD1-CD2 3.29Å; D97-H110 VanDerWaalsContact OD1-CD2 3.25Å; D97-H110 IonicContact OD1-CG 3.86Å; D97-H110 WeakPolarHBondContact OD2-CB 3.25Å; D97-H110 IonicContact OD2-CD2 3.69Å; D97-H110 IonicContact OD2-CG 2.91Å; D97-K174 WeakPolarHBondContact OD1-CE 3.38Å; D97-K174 IonicContact OD1-NZ 3.74Å
98L98.1Very high97.6Very high9 Ų930 Ų305%0.04719%0.185CC..EExtended strand (participates in β ladder)trans-82.1119.5174.7178.154.3000111.8F100 P106 L155 D172 V173 L184L98-F100 HydrophobicContact CD1-CE2 4.41Å; L98-F100 HydrophobicContact CD1-CZ 4.44Å; L98-F100 HydrophobicContact CD2-CE2 4.32Å; L98-F100 HydrophobicContact CD2-CZ 4.3Å; L98-F100 HydrophobicContact CG-CE2 4.09Å; L98-F100 HydrophobicContact CG-CZ 4.39Å; L98-P106 HydrophobicContact CD1-CB 4.06Å; L98-L155 HydrophobicContact CD1-CB 4.43Å; L98-L155 HydrophobicContact CD1-CD1 4.37Å; L98-L155 HydrophobicContact CD1-CD2 3.76Å; L98-L155 HydrophobicContact CD1-CG 4.42Å; L98-L155 HydrophobicContact CD2-CD2 4.41Å; L98-D172 PolarHBondContact N-O 3.2Å; L98-V173 HydrophobicContact CB-CG2 4.28Å; L98-V173 HydrophobicContact CD2-CG1 4.43Å; L98-V173 HydrophobicContact CD2-CG2 4.08Å; L98-L184 HydrophobicContact CD2-CD1 4.32Å; L98-L184 HydrophobicContact CD2-CG 4.31Å
99G96.5Very high97.6Very high9 Ų922.9 Ų22.99%0.09316%0.159CC..EExtended strand (participates in β ladder)trans-123.9176.5169.600000113I107G99-I107 PolarHBondContact N-O 2.77Å; G99-I107 PolarHBondContact O-N 2.88Å
100F97.3Very high97.5Very high31 Ų3122.7 Ų22.714%0.13616%0.157CC..EExtended strand (participates in β ladder)trans-134.4138.5177.8-66.8-93.5000110.8L98 V105 P106 H176 E179 S180 A183L98-F100 HydrophobicContact CD1-CE2 4.41Å; L98-F100 HydrophobicContact CD1-CZ 4.44Å; L98-F100 HydrophobicContact CD2-CE2 4.32Å; L98-F100 HydrophobicContact CD2-CZ 4.3Å; L98-F100 HydrophobicContact CG-CE2 4.09Å; L98-F100 HydrophobicContact CG-CZ 4.39Å; F100-V105 WeakPolarHBondContact CA-O 3.43Å; F100-P106 HydrophobicContact CD1-CB 4.47Å; F100-P106 HydrophobicContact CD1-CG 4.34Å; F100-P106 HydrophobicContact CE1-CB 4.14Å; F100-P106 HydrophobicContact CE1-CG 3.9Å; F100-H176 HydrophobicContact CD2-CB 4.46Å; F100-H176 HydrophobicContact CE2-CB 4.25Å; F100-E179 HydrophobicContact CE1-CB 4.14Å; F100-E179 HydrophobicContact CE2-CB 4.46Å; F100-E179 HydrophobicContact CZ-CB 3.97Å; F100-S180 WeakPolarHBondContact CE2-OG 3.48Å; F100-A183 HydrophobicContact CE1-CB 4.33Å; F100-A183 HydrophobicContact CZ-CB 4.4Å
101S97.6Very high97.5Very high6 Ų621.6 Ų21.64%0.04214%0.139CC..  trans-71.9167.8166.365.20000111.5D103 G104 V105S101-D103 WeakPolarHBondContact CB-OD1 3.12Å; S101-D103 PolarHBondContact O-N 3.13Å; S101-D103 PolarHBondContact OG-OD1 3.04Å; S101-G104 PolarHBondContact O-N 3.5Å; S101-V105 PolarHBondContact N-O 3.23Å; S101-V105 VanDerWaalsContact OG-CB 3.3Å; S101-V105 WeakPolarHBondContact OG-CB 3.22Å; S101-V105 PolarHBondContact OG-N 3.25Å; S101-V105 PolarHBondContact OG-O 2.84Å
102A97.5Very high97.4Very high57 Ų5728 Ų2847%0.47117%0.172SC..THydrogen-bonded Turntrans-61-28.7178.600000113.7G104 N125 M127A102-G104 VanDerWaalsContact C-N 3.3Å; A102-N125 WeakPolarHBondContact CB-O 3.18Å; A102-M127 VanDerWaalsContact CB-O 3.31Å; A102-M127 WeakPolarHBondContact CB-O 3.26Å; A102-M127 PolarHBondContact N-O 2.8Å
103D97.6Very high97.5Very high92 Ų9229.2 Ų29.249%0.49218%0.18SC..THydrogen-bonded Turntrans-89.511.4174.955.8-17.9000113.4S101 S128 F129S101-D103 WeakPolarHBondContact CB-OD1 3.12Å; S101-D103 PolarHBondContact O-N 3.13Å; S101-D103 PolarHBondContact OG-OD1 3.04Å; D103-S128 WeakPolarHBondContact OD1-CA 3.48Å; D103-F129 PolarHBondContact OD1-N 3.45Å; D103-F129 PolarHBondContact OD2-N 3.09Å
104G96.4Very high97.5Very high46 Ų4629.2 Ų29.247%0.47418%0.18SC..  trans81.314.2170.200000115.2S101 A102 P106S101-G104 PolarHBondContact O-N 3.5Å; A102-G104 VanDerWaalsContact C-N 3.3Å; G104-P106 WeakPolarHBondContact O-CD 3.14Å
105V97.9Very high97.5Very high39 Ų3931.6 Ų31.624%0.23619%0.192CC..  trans-77.4125.7177.2-1760000109.4F100 S101 I107 F129 T154F100-V105 WeakPolarHBondContact CA-O 3.43Å; S101-V105 PolarHBondContact N-O 3.23Å; S101-V105 VanDerWaalsContact OG-CB 3.3Å; S101-V105 WeakPolarHBondContact OG-CB 3.22Å; S101-V105 PolarHBondContact OG-N 3.25Å; S101-V105 PolarHBondContact OG-O 2.84Å; V105-I107 HydrophobicContact CG1-CG2 4.43Å; V105-I107 PolarHBondContact O-N 3.37Å; V105-F129 HydrophobicContact CB-CB 3.89Å; V105-F129 HydrophobicContact CB-CG 4.19Å; V105-F129 HydrophobicContact CG1-CB 4.26Å; V105-F129 HydrophobicContact CG1-CD1 4.32Å; V105-F129 HydrophobicContact CG1-CD2 4.24Å; V105-F129 HydrophobicContact CG1-CG 4Å; V105-F129 HydrophobicContact CG2-CB 3.76Å; V105-F129 HydrophobicContact CG2-CG 4.31Å; V105-T154 HydrophobicContact CG1-CG2 4.22Å
106P98.1Very high97.4Very high37 Ų3736.2 Ų36.224%0.2421%0.21CC..EExtended strand (participates in β ladder)trans-67.3126173.7-17.630.7000111.3L98 F100 G104 T154 L155 A183L98-P106 HydrophobicContact CD1-CB 4.06Å; F100-P106 HydrophobicContact CD1-CB 4.47Å; F100-P106 HydrophobicContact CD1-CG 4.34Å; F100-P106 HydrophobicContact CE1-CB 4.14Å; F100-P106 HydrophobicContact CE1-CG 3.9Å; G104-P106 WeakPolarHBondContact O-CD 3.14Å; P106-T154 WeakPolarHBondContact O-CA 3.48Å; P106-L155 HydrophobicContact CB-CB 3.83Å; P106-L155 HydrophobicContact CB-CD2 4.12Å; P106-L155 PolarHBondContact O-N 3.38Å; P106-A183 HydrophobicContact CB-CB 4.37Å; P106-A183 HydrophobicContact CG-CB 3.74Å
107I98.3Very high97.3Very high0 Ų037 Ų370%022%0.215CC..EExtended strand (participates in β ladder)trans-133.6171.2-177.762.5168000111G99 V105 M109 L124 F129 L132 I152 P153G99-I107 PolarHBondContact N-O 2.77Å; G99-I107 PolarHBondContact O-N 2.88Å; V105-I107 HydrophobicContact CG1-CG2 4.43Å; V105-I107 PolarHBondContact O-N 3.37Å; I107-M109 HydrophobicContact CD1-CB 4.31Å; I107-L124 HydrophobicContact CD1-CD1 3.66Å; I107-L124 HydrophobicContact CD1-CD2 4.19Å; I107-L124 HydrophobicContact CD1-CG 4.42Å; I107-F129 HydrophobicContact CG2-CD2 3.64Å; I107-F129 HydrophobicContact CG2-CE2 3.89Å; I107-L132 HydrophobicContact CD1-CD1 3.86Å; I107-I152 HydrophobicContact CB-CG2 4.25Å; I107-I152 HydrophobicContact CD1-CG2 4.14Å; I107-P153 WeakPolarHBondContact CA-O 3.41Å
108L98.3Very high97.3Very high2 Ų237 Ų371%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-97.4117.2168.8-54.7-169000112.1N78 L96 D97 P153 L155 A158N78-L108 HydrophobicContact CB-CB 3.77Å; N78-L108 WeakPolarHBondContact O-CB 3.36Å; L96-L108 HydrophobicContact CB-CD1 4.11Å; L96-L108 HydrophobicContact CB-CD2 4.05Å; L96-L108 HydrophobicContact CD1-CD1 4.05Å; L96-L108 HydrophobicContact CD2-CD1 3.84Å; L96-L108 HydrophobicContact CG-CD1 4.21Å; D97-L108 VanDerWaalsContact O-CA 3.28Å; D97-L108 WeakPolarHBondContact O-CA 3.42Å; L108-P153 HydrophobicContact CB-CG 3.97Å; L108-P153 HydrophobicContact CD1-CG 3.85Å; L108-P153 HydrophobicContact CG-CG 3.94Å; L108-P153 PolarHBondContact N-O 2.94Å; L108-P153 VanDerWaalsContact N-O 3.16Å; L108-L155 HydrophobicContact CD2-CD1 3.75Å; L108-A158 HydrophobicContact CD1-CB 3.48Å; L108-A158 VanDerWaalsContact CD1-CB 3.48Å; L108-A158 HydrophobicContact CD2-CB 4.49Å; L108-A158 HydrophobicContact CG-CB 4.12Å
109M97.2Very high97.2Very high12 Ų1241.3 Ų41.36%0.05924%0.237CC..  trans-166.2132174.1-170.8144.7-67.500111.3D97 I107 V114 T118 L124 I152D97-M109 PolarHBondContact O-N 2.98Å; D97-M109 VanDerWaalsContact O-N 3.1Å; I107-M109 HydrophobicContact CD1-CB 4.31Å; M109-V114 HydrophobicContact SD-CG1 4.03Å; M109-T118 HydrophobicContact CE-CG2 4.29Å; M109-L124 HydrophobicContact CB-CD2 4.12Å; M109-L124 HydrophobicContact CG-CD2 4.21Å; M109-L124 HydrophobicContact SD-CD1 4.02Å; M109-L124 HydrophobicContact SD-CD2 4.31Å; M109-I152 HydrophobicContact CE-CD1 3.45Å; M109-I152 VanDerWaalsContact CE-CD1 3.45Å; M109-I152 HydrophobicContact CE-CG1 3.72Å; M109-I152 HydrophobicContact CE-CG2 4.12Å
110H95.8Very high97.3Very high41 Ų4141.7 Ų41.719%0.1924%0.241CC..SBendtrans-76.4-42.9178.7179.7-89.2000113.4R69 D97 K174R69-H110 VanDerWaalsContact CZ-CG 3.43Å; R69-H110 PolarHBondContact NE-CD2 3.29Å; R69-H110 PolarHBondContact NH2-CD2 3.41Å; R69-H110 PolarHBondContact NH2-CE1 3.42Å; R69-H110 PolarHBondContact NH2-NE2 3.21Å; D97-H110 HydrophobicContact CB-CB 4.32Å; D97-H110 IonicContact OD1-CD2 3.66Å; D97-H110 PolarHBondContact OD1-CD2 3.29Å; D97-H110 VanDerWaalsContact OD1-CD2 3.25Å; D97-H110 IonicContact OD1-CG 3.86Å; D97-H110 WeakPolarHBondContact OD2-CB 3.25Å; D97-H110 IonicContact OD2-CD2 3.69Å; D97-H110 IonicContact OD2-CG 2.91Å; H110-K174 PolarHBondContact CD2-NZ 3.14Å; H110-K174 PolarHBondContact CE1-NZ 2.9Å; H110-K174 PolarHBondContact ND1-NZ 3.12Å; H110-K174 PolarHBondContact NE2-NZ 3.32Å; H110-K174 PolarHBondContact O-NZ 2.82Å
111D95.4Very high97.3Very high28 Ų2844.2 Ų44.215%0.1526%0.263CS..SBendtrans-93.4154.3-167.7-65.23.2000112T113 R116D111-T113 VanDerWaalsContact CB-O 3.26Å; D111-T113 WeakPolarHBondContact CB-O 3.21Å; D111-T113 PolarHBondContact O-N 3.42Å; D111-R116 VanDerWaalsContact CG-NH2 3.35Å; D111-R116 IonicContact OD1-CZ 3.59Å; D111-R116 IonicContact OD1-NE 3.64Å; D111-R116 PolarHBondContact OD1-NE 2.71Å; D111-R116 IonicContact OD1-NH2 2.79Å; D111-R116 PolarHBondContact OD1-NH2 3.33Å; D111-R116 WeakPolarHBondContact OD2-CB 3.04Å; D111-R116 IonicContact OD2-CZ 2.62Å; D111-R116 IonicContact OD2-NE 3.53Å; D111-R116 PolarHBondContact OD2-NE 3.12Å; D111-R116 IonicContact OD2-NH2 3.54Å; D111-R116 PolarHBondContact OD2-NH2 3.47Å
112D95.6Very high97.3Very high141 Ų14144.8 Ų44.875%0.75427%0.27SS*.SBendtrans-73.5-0.7170.6-65.5-37.8000113P123 L124D112-P123 WeakPolarHBondContact O-CA 3.43Å; D112-L124 WeakPolarHBondContact O-CB 3.47Å; D112-L124 PolarHBondContact O-N 2.99Å
113T97.6Very high97.3Very high56 Ų5644.2 Ų44.234%0.34426%0.261SS..BIsolated β-bridgetrans-136.9149.7179.761.90000110.7D111 D115 G122D111-T113 VanDerWaalsContact CB-O 3.26Å; D111-T113 WeakPolarHBondContact CB-O 3.21Å; D111-T113 PolarHBondContact O-N 3.42Å; T113-D115 VanDerWaalsContact C-N 3.26Å; T113-D115 WeakPolarHBondContact CB-OD2 3.14Å; T113-D115 PolarHBondContact O-N 3.1Å; T113-G122 VanDerWaalsContact CA-O 3.28Å; T113-G122 WeakPolarHBondContact CA-O 3.43Å; T113-G122 WeakPolarHBondContact CB-O 3.28Å
114V98.1Very high97.3Very high0 Ų040.4 Ų40.40%024%0.241CC..SBendtrans-81-6.6179.1-57.70000113.5M109 R116 T118 G122 L124 M127 L132 L135M109-V114 HydrophobicContact SD-CG1 4.03Å; V114-R116 PolarHBondContact O-N 2.9Å; V114-T118 HydrophobicContact CB-CG2 4.18Å; V114-T118 WeakPolarHBondContact O-CB 3.31Å; V114-T118 WeakPolarHBondContact O-CG2 3.17Å; V114-T118 PolarHBondContact O-N 3.12Å; V114-T118 VanDerWaalsContact O-N 3.15Å; V114-T118 PolarHBondContact O-OG1 2.75Å; V114-G122 PolarHBondContact N-O 3.31Å; V114-L124 HydrophobicContact CG1-CD1 4.31Å; V114-M127 HydrophobicContact CG1-SD 3.98Å; V114-M127 HydrophobicContact CG2-CE 3.8Å; V114-M127 HydrophobicContact CG2-SD 4.11Å; V114-L132 HydrophobicContact CG1-CD2 3.55Å; V114-L135 HydrophobicContact CB-CD1 3.88Å; V114-L135 HydrophobicContact CG1-CD1 3.92Å; V114-L135 HydrophobicContact CG2-CD1 3.91Å
115D98.1Very high97.2Very high50 Ų5043.9 Ų43.927%0.26725%0.248SC..THydrogen-bonded Turntrans-60.2-45.2-167-65.5-114.5000113.2T113 T117 S121 G122 K140T113-D115 VanDerWaalsContact C-N 3.26Å; T113-D115 WeakPolarHBondContact CB-OD2 3.14Å; T113-D115 PolarHBondContact O-N 3.1Å; D115-T117 PolarHBondContact O-N 2.84Å; D115-S121 WeakPolarHBondContact OD1-CA 3.37Å; D115-S121 VanDerWaalsContact OD1-CB 3.26Å; D115-S121 WeakPolarHBondContact OD1-CB 3.49Å; D115-S121 PolarHBondContact OD1-OG 3.16Å; D115-S121 WeakPolarHBondContact OD2-CA 3.44Å; D115-G122 PolarHBondContact OD2-N 2.93Å; D115-K140 VanDerWaalsContact O-CD 3.29Å; D115-K140 WeakPolarHBondContact O-CD 3.4Å; D115-K140 WeakPolarHBondContact O-CE 3.45Å; D115-K140 PolarHBondContact O-NZ 2.97Å
116R96.9Very high97.2Very high103 Ų10349.5 Ų49.539%0.38927%0.27SS..THydrogen-bonded Turntrans-69.7-38.1-170.6-173.6176.356.677.13.9113.2E77 D111 V114 K140E77-R116 VanDerWaalsContact CD-NH1 3.33Å; E77-R116 IonicContact OE1-CZ 3.16Å; E77-R116 IonicContact OE1-NH1 3.94Å; E77-R116 PolarHBondContact OE1-NH1 3.5Å; E77-R116 IonicContact OE1-NH2 2.61Å; E77-R116 PolarHBondContact OE1-NH2 3.37Å; E77-R116 IonicContact OE2-CZ 3.07Å; E77-R116 IonicContact OE2-NH1 3.9Å; E77-R116 PolarHBondContact OE2-NH1 3.38Å; E77-R116 IonicContact OE2-NH2 2.74Å; D111-R116 VanDerWaalsContact CG-NH2 3.35Å; D111-R116 IonicContact OD1-CZ 3.59Å; D111-R116 IonicContact OD1-NE 3.64Å; D111-R116 PolarHBondContact OD1-NE 2.71Å; D111-R116 IonicContact OD1-NH2 2.79Å; D111-R116 PolarHBondContact OD1-NH2 3.33Å; D111-R116 WeakPolarHBondContact OD2-CB 3.04Å; D111-R116 IonicContact OD2-CZ 2.62Å; D111-R116 IonicContact OD2-NE 3.53Å; D111-R116 PolarHBondContact OD2-NE 3.12Å; D111-R116 IonicContact OD2-NH2 3.54Å; D111-R116 PolarHBondContact OD2-NH2 3.47Å; V114-R116 PolarHBondContact O-N 2.9Å; R116-K140 WeakPolarHBondContact O-CB 3.3Å; R116-K140 WeakPolarHBondContact O-CD 3.25Å
117T96.8Very high97.2Very high18 Ų1849.3 Ų49.311%0.1127%0.266CS..THydrogen-bonded Turntrans-106.2-12-168.5560000113.7E77 D115 A137E77-T117 HydrophobicContact CG-CG2 3.87Å; D115-T117 PolarHBondContact O-N 2.84Å; T117-A137 CarbonylContact O-C 3.35Å
118T97.9Very high97.2Very high0 Ų050.5 Ų50.50%027%0.274CS..SBendtrans-122.2176.8-174.380.80000113.5M109 V114 G120 L135 D136 K140 I152M109-T118 HydrophobicContact CE-CG2 4.29Å; V114-T118 HydrophobicContact CB-CG2 4.18Å; V114-T118 WeakPolarHBondContact O-CB 3.31Å; V114-T118 WeakPolarHBondContact O-CG2 3.17Å; V114-T118 PolarHBondContact O-N 3.12Å; V114-T118 VanDerWaalsContact O-N 3.15Å; V114-T118 PolarHBondContact O-OG1 2.75Å; T118-G120 VanDerWaalsContact C-N 3.29Å; T118-G120 PolarHBondContact OG1-N 2.87Å; T118-L135 HydrophobicContact CG2-CB 4.37Å; T118-L135 HydrophobicContact CG2-CD1 4.32Å; T118-D136 VanDerWaalsContact CA-O 3.27Å; T118-D136 WeakPolarHBondContact CA-O 3.45Å; T118-K140 WeakPolarHBondContact O-CD 3.46Å; T118-K140 WeakPolarHBondContact O-CE 3.23Å; T118-I152 HydrophobicContact CG2-CD1 4.16Å; T118-I152 HydrophobicContact CG2-CG1 4.5Å
119N97.2Very high97.2Very high99 Ų9952.3 Ų52.353%0.52928%0.282SS..SBendtrans-84.22.8167.167.1-25000114.1L135 D136 A139N119-L135 WeakPolarHBondContact OD1-CA 3.35Å; N119-D136 PolarHBondContact N-O 3.03Å; N119-D136 PolarHBondContact OD1-N 3Å; N119-A139 HydrophobicContact CB-CB 3.7Å
120G97.3Very high97.3Very high17 Ų1755.1 Ų55.118%0.17530%0.303CS..  trans-93-179.517600000112.9T118T118-G120 VanDerWaalsContact C-N 3.29Å; T118-G120 PolarHBondContact OG1-N 2.87Å
121S98.1Very high97.4Very high85 Ų8557.7 Ų57.759%0.59432%0.315SS*.  trans-147.8143170.8179.20000110D115 M127D115-S121 WeakPolarHBondContact OD1-CA 3.37Å; D115-S121 VanDerWaalsContact OD1-CB 3.26Å; D115-S121 WeakPolarHBondContact OD1-CB 3.49Å; D115-S121 PolarHBondContact OD1-OG 3.16Å; D115-S121 WeakPolarHBondContact OD2-CA 3.44Å; S121-M127 WeakPolarHBondContact O-CE 3.32Å
122G97.6Very high97.6Very high17 Ų1756.3 Ų56.318%0.17531%0.308CS..SBendtrans125.7171.817400000113.9T113 V114 D115T113-G122 VanDerWaalsContact CA-O 3.28Å; T113-G122 WeakPolarHBondContact CA-O 3.43Å; T113-G122 WeakPolarHBondContact CB-O 3.28Å; V114-G122 PolarHBondContact N-O 3.31Å; D115-G122 PolarHBondContact OD2-N 2.93Å
123P98Very high97.7Very high46 Ų4653.5 Ų53.530%0.29929%0.287SS..BIsolated β-bridgetrans-72.2135.5-176.830.1-35.2000111.8D112 N125 K126D112-P123 WeakPolarHBondContact O-CA 3.43Å; P123-N125 VanDerWaalsContact C-N 3.29Å; P123-N125 PolarHBondContact O-N 3.46Å; P123-K126 HydrophobicContact CB-CG 4.43Å; P123-K126 HydrophobicContact CG-CB 4Å; P123-K126 HydrophobicContact CG-CD 3.55Å; P123-K126 HydrophobicContact CG-CG 3.68Å; P123-K126 PolarHBondContact O-N 2.5Å; P123-K126 VanDerWaalsContact O-N 3.17Å
124L96.4Very high97.7Very high11 Ų1158 Ų586%0.05830%0.301CS..G310 helixtrans-58.7-42.5-178.5177.761.4000111.7I107 M109 D112 V114 K126 M127 L132I107-L124 HydrophobicContact CD1-CD1 3.66Å; I107-L124 HydrophobicContact CD1-CD2 4.19Å; I107-L124 HydrophobicContact CD1-CG 4.42Å; M109-L124 HydrophobicContact CB-CD2 4.12Å; M109-L124 HydrophobicContact CG-CD2 4.21Å; M109-L124 HydrophobicContact SD-CD1 4.02Å; M109-L124 HydrophobicContact SD-CD2 4.31Å; D112-L124 WeakPolarHBondContact O-CB 3.47Å; D112-L124 PolarHBondContact O-N 2.99Å; V114-L124 HydrophobicContact CG1-CD1 4.31Å; L124-K126 PolarHBondContact O-N 3.04Å; L124-M127 PolarHBondContact O-N 2.99Å; L124-M127 VanDerWaalsContact O-N 3.12Å; L124-L132 HydrophobicContact CD1-CD1 3.57Å; L124-L132 HydrophobicContact CD1-CD2 3.68Å; L124-L132 HydrophobicContact CD1-CG 4.29Å
125N95Very high97.7Very high119 Ų11959.2 Ų59.264%0.63631%0.308SS*.G310 helixtrans-69.63.5-178.970.90.6000115.1A102 P123A102-N125 WeakPolarHBondContact CB-O 3.18Å; P123-N125 VanDerWaalsContact C-N 3.29Å; P123-N125 PolarHBondContact O-N 3.46Å
126K97.9Very high97.7Very high157 Ų15758.3 Ų58.368%0.68330%0.303SS*.G310 helixtrans-114.41.9173.3-59.9-168.9-173.7176.10113.9P123 L124P123-K126 HydrophobicContact CB-CG 4.43Å; P123-K126 HydrophobicContact CG-CB 4Å; P123-K126 HydrophobicContact CG-CD 3.55Å; P123-K126 HydrophobicContact CG-CG 3.68Å; P123-K126 PolarHBondContact O-N 2.5Å; P123-K126 VanDerWaalsContact O-N 3.17Å; L124-K126 PolarHBondContact O-N 3.04Å
127M98.4Very high97.7Very high33 Ų3353.8 Ų53.816%0.16329%0.287CS..SBendtrans-111.3130.5-179.8-60.9-173.9-175.500110.6A102 V114 S121 L124 E131 L132 L135A102-M127 VanDerWaalsContact CB-O 3.31Å; A102-M127 WeakPolarHBondContact CB-O 3.26Å; A102-M127 PolarHBondContact N-O 2.8Å; V114-M127 HydrophobicContact CG1-SD 3.98Å; V114-M127 HydrophobicContact CG2-CE 3.8Å; V114-M127 HydrophobicContact CG2-SD 4.11Å; S121-M127 WeakPolarHBondContact O-CE 3.32Å; L124-M127 PolarHBondContact O-N 2.99Å; L124-M127 VanDerWaalsContact O-N 3.12Å; M127-E131 HydrophobicContact CB-CB 4.5Å; M127-L132 HydrophobicContact CB-CD1 4.35Å; M127-L132 HydrophobicContact CB-CD2 3.74Å; M127-L132 HydrophobicContact CB-CG 3.77Å; M127-L132 HydrophobicContact CG-CD2 4.34Å; M127-L132 HydrophobicContact SD-CD2 3.73Å; M127-L135 HydrophobicContact SD-CD1 4.46Å
128S98.5Very high97.8Very high25 Ų2553 Ų5318%0.17528%0.282CS..  trans-65.6156.6169.265.80000110.6D103 S130 E131 L132D103-S128 WeakPolarHBondContact OD1-CA 3.48Å; S128-S130 PolarHBondContact O-N 3.03Å; S128-S130 PolarHBondContact OG-OG 3.46Å; S128-E131 WeakPolarHBondContact CB-OE2 3.46Å; S128-E131 PolarHBondContact N-OE2 3.12Å; S128-E131 PolarHBondContact O-N 3.01Å; S128-E131 WeakPolarHBondContact OG-CG 3.21Å; S128-E131 PolarHBondContact OG-N 3.13Å; S128-E131 PolarHBondContact OG-OE2 2.86Å; S128-L132 WeakPolarHBondContact O-CG 3.36Å; S128-L132 PolarHBondContact O-N 3.1Å
129F98.4Very high97.7Very high41 Ų4154.1 Ų54.118%0.1829%0.292CS..Hα-helixtrans-57-35.4174.8177.9-115.4000112D103 V105 I107 E131 L132 R133 T154D103-F129 PolarHBondContact OD1-N 3.45Å; D103-F129 PolarHBondContact OD2-N 3.09Å; V105-F129 HydrophobicContact CB-CB 3.89Å; V105-F129 HydrophobicContact CB-CG 4.19Å; V105-F129 HydrophobicContact CG1-CB 4.26Å; V105-F129 HydrophobicContact CG1-CD1 4.32Å; V105-F129 HydrophobicContact CG1-CD2 4.24Å; V105-F129 HydrophobicContact CG1-CG 4Å; V105-F129 HydrophobicContact CG2-CB 3.76Å; V105-F129 HydrophobicContact CG2-CG 4.31Å; I107-F129 HydrophobicContact CG2-CD2 3.64Å; I107-F129 HydrophobicContact CG2-CE2 3.89Å; F129-E131 VanDerWaalsContact C-N 3.26Å; F129-E131 PolarHBondContact O-N 3.26Å; F129-L132 PolarHBondContact O-N 3.18Å; F129-R133 HydrophobicContact CZ-CB 4.35Å; F129-R133 HydrophobicContact CZ-CG 4.32Å; F129-R133 VanDerWaalsContact O-CB 3.27Å; F129-R133 WeakPolarHBondContact O-CB 3.28Å; F129-R133 PolarHBondContact O-N 3.39Å; F129-T154 HydrophobicContact CE1-CG2 3.86Å; F129-T154 HydrophobicContact CE2-CG2 3.66Å; F129-T154 HydrophobicContact CZ-CG2 3.28Å
130S98.4Very high97.6Very high70 Ų7055.4 Ų55.449%0.4929%0.293SS..Hα-helixtrans-62.1-31.7177.680.90000113.7S128 K134S128-S130 PolarHBondContact O-N 3.03Å; S128-S130 PolarHBondContact OG-OG 3.46Å; S130-K134 WeakPolarHBondContact O-CE 3.44Å
131E98.4Very high97.5Very high95 Ų9555.9 Ų55.944%0.44429%0.291SS..Hα-helixtrans-79.3-45.8175.8-70162129.500110.5M127 S128 F129 R133 K134M127-E131 HydrophobicContact CB-CB 4.5Å; S128-E131 WeakPolarHBondContact CB-OE2 3.46Å; S128-E131 PolarHBondContact N-OE2 3.12Å; S128-E131 PolarHBondContact O-N 3.01Å; S128-E131 WeakPolarHBondContact OG-CG 3.21Å; S128-E131 PolarHBondContact OG-N 3.13Å; S128-E131 PolarHBondContact OG-OE2 2.86Å; F129-E131 VanDerWaalsContact C-N 3.26Å; F129-E131 PolarHBondContact O-N 3.26Å; E131-R133 VanDerWaalsContact C-N 3.27Å; E131-R133 PolarHBondContact O-N 2.81Å; E131-K134 WeakPolarHBondContact O-CB 3.34Å; E131-K134 PolarHBondContact O-N 3.07Å; E131-K134 VanDerWaalsContact O-N 3.08Å
132L98.4Very high97.4Very high0 Ų057 Ų570%028%0.282CS..Hα-helixtrans-57-41.8176.3-67.9171.5000111.7I107 V114 L124 M127 S128 F129 K134 L135 I152I107-L132 HydrophobicContact CD1-CD1 3.86Å; V114-L132 HydrophobicContact CG1-CD2 3.55Å; L124-L132 HydrophobicContact CD1-CD1 3.57Å; L124-L132 HydrophobicContact CD1-CD2 3.68Å; L124-L132 HydrophobicContact CD1-CG 4.29Å; M127-L132 HydrophobicContact CB-CD1 4.35Å; M127-L132 HydrophobicContact CB-CD2 3.74Å; M127-L132 HydrophobicContact CB-CG 3.77Å; M127-L132 HydrophobicContact CG-CD2 4.34Å; M127-L132 HydrophobicContact SD-CD2 3.73Å; S128-L132 WeakPolarHBondContact O-CG 3.36Å; S128-L132 PolarHBondContact O-N 3.1Å; F129-L132 PolarHBondContact O-N 3.18Å; L132-K134 PolarHBondContact O-N 3.03Å; L132-K134 VanDerWaalsContact O-N 3.1Å; L132-L135 HydrophobicContact CD2-CD1 4.2Å; L132-L135 WeakPolarHBondContact O-CB 3.35Å; L132-L135 PolarHBondContact O-N 3.39Å; L132-I152 HydrophobicContact CB-CD1 4.03Å; L132-I152 HydrophobicContact CD2-CD1 4.11Å
133R97.9Very high97.3Very high82 Ų8259.9 Ų59.931%0.30929%0.289SS..THydrogen-bonded Turntrans-64.3-17.3-179.6-165.760.1174.2-150.4-10.6113.7F129 E131 K151 I152 E157F129-R133 HydrophobicContact CZ-CB 4.35Å; F129-R133 HydrophobicContact CZ-CG 4.32Å; F129-R133 VanDerWaalsContact O-CB 3.27Å; F129-R133 WeakPolarHBondContact O-CB 3.28Å; F129-R133 PolarHBondContact O-N 3.39Å; E131-R133 VanDerWaalsContact C-N 3.27Å; E131-R133 PolarHBondContact O-N 2.81Å; R133-K151 WeakPolarHBondContact O-CD 2.94Å; R133-I152 PolarHBondContact NH1-O 3.29Å; R133-E157 IonicContact CZ-OE1 2.68Å; R133-E157 IonicContact CZ-OE2 3.73Å; R133-E157 IonicContact NH1-OE1 3.21Å; R133-E157 PolarHBondContact NH1-OE1 3.37Å; R133-E157 IonicContact NH1-OE2 2.83Å; R133-E157 PolarHBondContact NH1-OE2 3.5Å; R133-E157 IonicContact NH2-OE1 3.49Å; R133-E157 PolarHBondContact NH2-OE1 2.78Å; R133-E157 IonicContact NH2-OE2 3.43Å; R133-E157 PolarHBondContact NH2-OE2 2.87Å
134K98Very high97.1Very high150 Ų15065.1 Ų65.165%0.65230%0.303SS*.THydrogen-bonded Turntrans-79-27.5175.3-66167.7-173167.90112S130 E131 L132 K151S130-K134 WeakPolarHBondContact O-CE 3.44Å; E131-K134 WeakPolarHBondContact O-CB 3.34Å; E131-K134 PolarHBondContact O-N 3.07Å; E131-K134 VanDerWaalsContact O-N 3.08Å; L132-K134 PolarHBondContact O-N 3.03Å; L132-K134 VanDerWaalsContact O-N 3.1Å; K134-K151 PolarHBondContact O-NZ 3.1Å
135L98.2Very high97.1Very high26 Ų2669.6 Ų69.614%0.13634%0.335CS..SBendtrans-63.6152.4-178-55.7-178.9000111.6V114 T118 N119 M127 L132 K151 I152V114-L135 HydrophobicContact CB-CD1 3.88Å; V114-L135 HydrophobicContact CG1-CD1 3.92Å; V114-L135 HydrophobicContact CG2-CD1 3.91Å; T118-L135 HydrophobicContact CG2-CB 4.37Å; T118-L135 HydrophobicContact CG2-CD1 4.32Å; N119-L135 WeakPolarHBondContact OD1-CA 3.35Å; M127-L135 HydrophobicContact SD-CD1 4.46Å; L132-L135 HydrophobicContact CD2-CD1 4.2Å; L132-L135 WeakPolarHBondContact O-CB 3.35Å; L132-L135 PolarHBondContact O-N 3.39Å; L135-K151 WeakPolarHBondContact O-CD 3.3Å; L135-K151 PolarHBondContact O-NZ 3.27Å; L135-I152 HydrophobicContact CB-CD1 4.36Å; L135-I152 HydrophobicContact CD1-CD1 4.18Å
136D98.1Very high97.2Very high31 Ų3169.4 Ų69.417%0.16633%0.329CS..  trans-98.8107.3171.7-176.2-16000108.6T118 N119 S138 A139 G149 E150T118-D136 VanDerWaalsContact CA-O 3.27Å; T118-D136 WeakPolarHBondContact CA-O 3.45Å; N119-D136 PolarHBondContact N-O 3.03Å; N119-D136 PolarHBondContact OD1-N 3Å; D136-S138 PolarHBondContact O-N 2.9Å; D136-S138 WeakPolarHBondContact OD1-CA 3.42Å; D136-S138 WeakPolarHBondContact OD1-CB 3.47Å; D136-S138 PolarHBondContact OD1-N 2.83Å; D136-S138 PolarHBondContact OD1-OG 3.4Å; D136-A139 HydrophobicContact CB-CB 4.24Å; D136-A139 WeakPolarHBondContact O-CB 3.44Å; D136-A139 PolarHBondContact O-N 2.89Å; D136-A139 PolarHBondContact OD1-N 3.2Å; D136-G149 PolarHBondContact OD2-N 3.05Å; D136-E150 CarbonylContact C-O 3.55Å; D136-E150 WeakPolarHBondContact CA-O 3.38Å
137A97.8Very high97.1Very high7 Ų762.6 Ų62.66%0.05830%0.299CS..THydrogen-bonded Turntrans-76.1-3.9-179.200000113.3P76 T79 T117 E150 I152P76-A137 WeakPolarHBondContact CB-O 3.45Å; T79-A137 HydrophobicContact CG2-CB 3.76Å; T117-A137 CarbonylContact O-C 3.35Å; A137-E150 PolarHBondContact N-O 3.39Å; A137-I152 HydrophobicContact CB-CG1 4.19Å
138S97.1Very high96.8Very high1 Ų166.6 Ų66.61%0.00733%0.325CS..THydrogen-bonded Turntrans-96.9-11.2173.178.40000113.3D136 K140 H141 R144 F147D136-S138 PolarHBondContact O-N 2.9Å; D136-S138 WeakPolarHBondContact OD1-CA 3.42Å; D136-S138 WeakPolarHBondContact OD1-CB 3.47Å; D136-S138 PolarHBondContact OD1-N 2.83Å; D136-S138 PolarHBondContact OD1-OG 3.4Å; S138-K140 PolarHBondContact O-N 2.99Å; S138-H141 WeakPolarHBondContact O-CB 3.48Å; S138-H141 PolarHBondContact O-N 2.81Å; S138-R144 WeakPolarHBondContact O-CB 3.2Å; S138-F147 WeakPolarHBondContact CB-O 3.31Å; S138-F147 PolarHBondContact OG-O 3.14Å
139A95.7Very high96.4Very high25 Ų2567 Ų6721%0.20733%0.333CS..THydrogen-bonded Turntrans-55.6-32.9-161.900000114.6N119 D136 R144N119-A139 HydrophobicContact CB-CB 3.7Å; D136-A139 HydrophobicContact CB-CB 4.24Å; D136-A139 WeakPolarHBondContact O-CB 3.44Å; D136-A139 PolarHBondContact O-N 2.89Å; D136-A139 PolarHBondContact OD1-N 3.2Å; A139-R144 VanDerWaalsContact O-CD 3.32Å; A139-R144 WeakPolarHBondContact O-CD 3.4Å
140K95.3Very high96.3Very high126 Ų12666.8 Ų66.855%0.54833%0.333SS..THydrogen-bonded Turntrans-104.72-178.3-66.9-177.8174.3178.90113.8D115 R116 T118 S138D115-K140 VanDerWaalsContact O-CD 3.29Å; D115-K140 WeakPolarHBondContact O-CD 3.4Å; D115-K140 WeakPolarHBondContact O-CE 3.45Å; D115-K140 PolarHBondContact O-NZ 2.97Å; R116-K140 WeakPolarHBondContact O-CB 3.3Å; R116-K140 WeakPolarHBondContact O-CD 3.25Å; T118-K140 WeakPolarHBondContact O-CD 3.46Å; T118-K140 WeakPolarHBondContact O-CE 3.23Å; S138-K140 PolarHBondContact O-N 2.99Å
141H96.5Very high96.3Very high27 Ų2767 Ų6713%0.12533%0.325CS..SBendtrans-79147179.2-169.5-103.3000111.8G72 A75 P76 S138 F143 R144G72-H141 PolarHBondContact O-NE2 2.93Å; A75-H141 PolarHBondContact O-NE2 3.48Å; P76-H141 HydrophobicContact CB-CB 4.19Å; P76-H141 HydrophobicContact CG-CB 3.9Å; S138-H141 WeakPolarHBondContact O-CB 3.48Å; S138-H141 PolarHBondContact O-N 2.81Å; H141-F143 AromaticContact CE1-CD2 3.68Å; H141-F143 PolarHBondContact ND1-N 3.26Å; H141-F143 VanDerWaalsContact ND1-N 3.18Å; H141-F143 PolarHBondContact O-N 3.5Å; H141-R144 WeakPolarHBondContact O-CB 3.25Å; H141-R144 PolarHBondContact O-N 3.01Å
142R94.9Very high96.3Very high108 Ų10862.6 Ų62.641%0.40830%0.304SS..THydrogen-bonded Turntrans-62-29.1-177.975.1168.5-169.9-85.33.3113.6H73 E323H73-R142 PolarHBondContact CD2-NH1 3.04Å; H73-R142 VanDerWaalsContact CD2-NH1 3.29Å; H73-R142 PolarHBondContact CD2-NH2 3.19Å; H73-R142 VanDerWaalsContact CE1-CZ 3.48Å; H73-R142 PolarHBondContact CE1-NH1 3.33Å; H73-R142 PolarHBondContact ND1-NH1 2.83Å; H73-R142 VanDerWaalsContact NE2-CZ 3.3Å; H73-R142 PolarHBondContact NE2-NH1 2.86Å; H73-R142 PolarHBondContact NE2-NH2 2.83Å; H73-R142 PolarHBondContact O-NH1 3.15Å; H73-R142 PolarHBondContact O-NH2 3.26Å; R142-E323 IonicContact CZ-OE1 3.96Å; R142-E323 IonicContact NH2-OE1 3.82Å; R142-E323 PolarHBondContact NH2-OE1 3.27Å
143F95.8Very high96.3Very high77 Ų7762.6 Ų62.634%0.33831%0.305SS..THydrogen-bonded Turntrans-101.426.1177-58.1-48.8000113.5H141 S145 K146 F147H141-F143 AromaticContact CE1-CD2 3.68Å; H141-F143 PolarHBondContact ND1-N 3.26Å; H141-F143 VanDerWaalsContact ND1-N 3.18Å; H141-F143 PolarHBondContact O-N 3.5Å; F143-S145 PolarHBondContact O-N 2.93Å; F143-K146 HydrophobicContact CB-CB 4.45Å; F143-K146 WeakPolarHBondContact O-CB 3.27Å; F143-K146 PolarHBondContact O-N 3.06Å; F143-F147 HydrophobicContact CB-CD2 3.91Å; F143-F147 HydrophobicContact CB-CE2 3.75Å; F143-F147 VanDerWaalsContact O-CD2 3.29Å; F143-F147 WeakPolarHBondContact O-CD2 2.95Å; F143-F147 PolarHBondContact O-N 3.37Å
144R94.8Very high96.3Very high157 Ų15759.8 Ų59.859%0.59230%0.296SS*.THydrogen-bonded Turntrans-49.1-32.1-179.166.1-173.7-174.2123.92.5114.8S138 A139 H141 K146 F147 V148S138-R144 WeakPolarHBondContact O-CB 3.2Å; A139-R144 VanDerWaalsContact O-CD 3.32Å; A139-R144 WeakPolarHBondContact O-CD 3.4Å; H141-R144 WeakPolarHBondContact O-CB 3.25Å; H141-R144 PolarHBondContact O-N 3.01Å; R144-K146 VanDerWaalsContact C-N 3.27Å; R144-K146 PolarHBondContact O-N 2.73Å; R144-F147 CarbonylContact O-C 3.55Å; R144-F147 PolarHBondContact O-N 2.54Å; R144-V148 WeakPolarHBondContact O-CG2 3.49Å; R144-V148 PolarHBondContact O-N 3.32Å
145S95.8Very high96.4Very high104 Ų10452.7 Ų52.773%0.72727%0.266SS*.THydrogen-bonded Turntrans-67.1-24.3177.2530000114F143 V148F143-S145 PolarHBondContact O-N 2.93Å; S145-V148 WeakPolarHBondContact O-CG2 3.38Å
146K96.7Very high96.4Very high115 Ų11554.5 Ų54.550%0.527%0.273SS..THydrogen-bonded Turntrans-84.4-23.9175.2-178.7179.3168-168.70112.2E85 F143 R144E85-K146 IonicContact OE1-NZ 3.37Å; E85-K146 PolarHBondContact OE1-NZ 2.81Å; E85-K146 IonicContact OE2-NZ 2.72Å; E85-K146 PolarHBondContact OE2-NZ 2.86Å; E85-K146 VanDerWaalsContact OE2-NZ 3.07Å; F143-K146 HydrophobicContact CB-CB 4.45Å; F143-K146 WeakPolarHBondContact O-CB 3.27Å; F143-K146 PolarHBondContact O-N 3.06Å; R144-K146 VanDerWaalsContact C-N 3.27Å; R144-K146 PolarHBondContact O-N 2.73Å
147F96.3Very high96.4Very high15 Ų1556 Ų567%0.06628%0.279CS..SBendtrans-120.835.4-170-57.9-71.2000112.7A75 P76 A81 S138 F143 R144 G149 E150A75-F147 HydrophobicContact CB-CE1 4.1Å; A75-F147 HydrophobicContact CB-CE2 4Å; A75-F147 HydrophobicContact CB-CZ 3.62Å; P76-F147 VanDerWaalsContact CD-CD2 3.41Å; P76-F147 HydrophobicContact CG-CB 3.79Å; P76-F147 HydrophobicContact CG-CD2 3.97Å; P76-F147 HydrophobicContact CG-CG 3.98Å; A81-F147 HydrophobicContact CB-CD1 3.67Å; A81-F147 HydrophobicContact CB-CE1 4.06Å; S138-F147 WeakPolarHBondContact CB-O 3.31Å; S138-F147 PolarHBondContact OG-O 3.14Å; F143-F147 HydrophobicContact CB-CD2 3.91Å; F143-F147 HydrophobicContact CB-CE2 3.75Å; F143-F147 VanDerWaalsContact O-CD2 3.29Å; F143-F147 WeakPolarHBondContact O-CD2 2.95Å; F143-F147 PolarHBondContact O-N 3.37Å; R144-F147 CarbonylContact O-C 3.55Å; R144-F147 PolarHBondContact O-N 2.54Å; F147-G149 PolarHBondContact O-N 2.83Å; F147-E150 WeakPolarHBondContact O-CB 3.26Å; F147-E150 PolarHBondContact O-N 3.45Å
148V91.9Very high96.5Very high116 Ų11655.6 Ų55.670%0.70328%0.276SS*.THydrogen-bonded Turntrans-58.2127.5-172179.90000111.5R144 S145 E150R144-V148 WeakPolarHBondContact O-CG2 3.49Å; R144-V148 PolarHBondContact O-N 3.32Å; S145-V148 WeakPolarHBondContact O-CG2 3.38Å; V148-E150 VanDerWaalsContact C-N 3.33Å
149G90.1Very high96.6Very high33 Ų3355.6 Ų55.634%0.3428%0.276SS..THydrogen-bonded Turntrans79.213.5173.400000114.7D136 F147 K151D136-G149 PolarHBondContact OD2-N 3.05Å; F147-G149 PolarHBondContact O-N 2.83Å; G149-K151 WeakPolarHBondContact O-CD 3.28Å; G149-K151 WeakPolarHBondContact O-CE 3.39Å
150E97.1Very high96.7Very high38 Ų3858.9 Ų58.918%0.17829%0.287CS..  trans-56.4138.8174.7-165.263.2-162.900110.7T79 I80 A81 D136 A137 F147 V148T79-E150 VanDerWaalsContact CB-CG 3.44Å; T79-E150 WeakPolarHBondContact CB-OE1 3.39Å; T79-E150 HydrophobicContact CG2-CG 3.54Å; I80-E150 PolarHBondContact N-OE1 2.86Å; A81-E150 HydrophobicContact CB-CG 4.05Å; A81-E150 WeakPolarHBondContact CB-OE1 3.35Å; A81-E150 WeakPolarHBondContact CB-OE2 3.38Å; A81-E150 PolarHBondContact N-OE1 2.82Å; D136-E150 CarbonylContact C-O 3.55Å; D136-E150 WeakPolarHBondContact CA-O 3.38Å; A137-E150 PolarHBondContact N-O 3.39Å; F147-E150 WeakPolarHBondContact O-CB 3.26Å; F147-E150 PolarHBondContact O-N 3.45Å; V148-E150 VanDerWaalsContact C-N 3.33Å
151K97.9Very high96.9Very high74 Ų7453.9 Ų53.932%0.32227%0.266SS..  trans-110.3157.3-174.1-59.4-50.3-172.2-176.90111.2R133 K134 L135 G149 P153R133-K151 WeakPolarHBondContact O-CD 2.94Å; K134-K151 PolarHBondContact O-NZ 3.1Å; L135-K151 WeakPolarHBondContact O-CD 3.3Å; L135-K151 PolarHBondContact O-NZ 3.27Å; G149-K151 WeakPolarHBondContact O-CD 3.28Å; G149-K151 WeakPolarHBondContact O-CE 3.39Å; K151-P153 VanDerWaalsContact O-CD 3.28Å; K151-P153 WeakPolarHBondContact O-CD 3.34Å
152I98.4Very high97Very high2 Ų252.6 Ų52.61%0.0126%0.26CS..PPolyproline II helixtrans-66.5117166.7-57.1169.1000107.6I107 M109 T118 L132 R133 L135 A137I107-I152 HydrophobicContact CB-CG2 4.25Å; I107-I152 HydrophobicContact CD1-CG2 4.14Å; M109-I152 HydrophobicContact CE-CD1 3.45Å; M109-I152 VanDerWaalsContact CE-CD1 3.45Å; M109-I152 HydrophobicContact CE-CG1 3.72Å; M109-I152 HydrophobicContact CE-CG2 4.12Å; T118-I152 HydrophobicContact CG2-CD1 4.16Å; T118-I152 HydrophobicContact CG2-CG1 4.5Å; L132-I152 HydrophobicContact CB-CD1 4.03Å; L132-I152 HydrophobicContact CD2-CD1 4.11Å; R133-I152 PolarHBondContact NH1-O 3.29Å; L135-I152 HydrophobicContact CB-CD1 4.36Å; L135-I152 HydrophobicContact CD1-CD1 4.18Å; A137-I152 HydrophobicContact CB-CG1 4.19Å
153P98.4Very high97.2Very high1 Ų150 Ų501%0.00625%0.254CS..PPolyproline II helixtrans-8115618033.9-33.7000111.7N78 I80 I107 L108 K151 E157N78-P153 WeakPolarHBondContact O-CD 3.49Å; N78-P153 VanDerWaalsContact O-CG 3.24Å; N78-P153 WeakPolarHBondContact O-CG 3.41Å; I80-P153 HydrophobicContact CD1-CB 3.81Å; I80-P153 HydrophobicContact CD1-CG 4.42Å; I80-P153 HydrophobicContact CG1-CB 3.94Å; I107-P153 WeakPolarHBondContact CA-O 3.41Å; L108-P153 HydrophobicContact CB-CG 3.97Å; L108-P153 HydrophobicContact CD1-CG 3.85Å; L108-P153 HydrophobicContact CG-CG 3.94Å; L108-P153 PolarHBondContact N-O 2.94Å; L108-P153 VanDerWaalsContact N-O 3.16Å; K151-P153 VanDerWaalsContact O-CD 3.28Å; K151-P153 WeakPolarHBondContact O-CD 3.34Å; P153-E157 WeakPolarHBondContact CA-OE2 3.45Å; P153-E157 HydrophobicContact CB-CB 4.42Å
154T98.7Very high97.3Very high22 Ų2253.3 Ų53.314%0.13527%0.268CS..BIsolated β-bridgetrans-71.6159.6160.469.40000109.7V105 P106 F129 E156 E157 A158V105-T154 HydrophobicContact CG1-CG2 4.22Å; P106-T154 WeakPolarHBondContact O-CA 3.48Å; F129-T154 HydrophobicContact CE1-CG2 3.86Å; F129-T154 HydrophobicContact CE2-CG2 3.66Å; F129-T154 HydrophobicContact CZ-CG2 3.28Å; T154-E156 PolarHBondContact O-N 2.91Å; T154-E156 PolarHBondContact OG1-N 3.12Å; T154-E157 PolarHBondContact N-OE2 3.12Å; T154-E157 PolarHBondContact O-N 3.41Å; T154-E157 VanDerWaalsContact OG1-CG 3.3Å; T154-E157 WeakPolarHBondContact OG1-CG 3.3Å; T154-E157 PolarHBondContact OG1-N 3.01Å; T154-E157 VanDerWaalsContact OG1-N 3.12Å; T154-A158 PolarHBondContact O-N 3.38Å
155L98.6Very high97.4Very high2 Ų248.2 Ų48.21%0.0125%0.252CS..Hα-helixtrans-57.3-38.8172.3-179.262.7000111.6L98 P106 L108 A158 V159 F171 L184 L187L98-L155 HydrophobicContact CD1-CB 4.43Å; L98-L155 HydrophobicContact CD1-CD1 4.37Å; L98-L155 HydrophobicContact CD1-CD2 3.76Å; L98-L155 HydrophobicContact CD1-CG 4.42Å; L98-L155 HydrophobicContact CD2-CD2 4.41Å; P106-L155 HydrophobicContact CB-CB 3.83Å; P106-L155 HydrophobicContact CB-CD2 4.12Å; P106-L155 PolarHBondContact O-N 3.38Å; L108-L155 HydrophobicContact CD2-CD1 3.75Å; L155-A158 PolarHBondContact O-N 3.46Å; L155-V159 WeakPolarHBondContact O-CG2 3.44Å; L155-V159 PolarHBondContact O-N 3.48Å; L155-F171 HydrophobicContact CD1-CD1 3.85Å; L155-F171 HydrophobicContact CD1-CE1 3.67Å; L155-L184 HydrophobicContact CD2-CD2 4.05Å; L155-L187 HydrophobicContact CB-CD1 4.39Å; L155-L187 HydrophobicContact CD2-CD1 3.2Å; L155-L187 HydrophobicContact CG-CD1 3.49Å; L155-L187 VanDerWaalsContact CG-CD1 3.49Å
156E98.7Very high97.5Very high63 Ų6352.3 Ų52.329%0.29426%0.257SS..Hα-helixtrans-65-46.1-180173.8153.9-126.300112.7T154 A158 V159 E160 L187 K190 Y191T154-E156 PolarHBondContact O-N 2.91Å; T154-E156 PolarHBondContact OG1-N 3.12Å; E156-A158 PolarHBondContact O-N 2.94Å; E156-V159 WeakPolarHBondContact O-CB 3.48Å; E156-V159 PolarHBondContact O-N 3.03Å; E156-V159 VanDerWaalsContact O-N 3.12Å; E156-E160 HydrophobicContact CG-CG 4.47Å; E156-E160 WeakPolarHBondContact O-CG 3.41Å; E156-E160 PolarHBondContact O-N 2.87Å; E156-L187 HydrophobicContact CB-CD2 4.14Å; E156-L187 HydrophobicContact CG-CD2 4.42Å; E156-K190 VanDerWaalsContact OE1-CD 3.27Å; E156-K190 WeakPolarHBondContact OE1-CD 3.38Å; E156-K190 WeakPolarHBondContact OE1-CE 3.1Å; E156-K190 IonicContact OE1-NZ 3.19Å; E156-K190 PolarHBondContact OE1-NZ 2.93Å; E156-K190 IonicContact OE2-NZ 2.88Å; E156-Y191 HydrophobicContact CG-CE2 4.4Å; E156-Y191 WeakPolarHBondContact OE1-CE2 3.46Å; E156-Y191 PolarHBondContact OE1-OH 3.21Å
157E98.8Very high97.6Very high62 Ų6247.1 Ų47.129%0.2924%0.235SC..Hα-helixtrans-58-39.7177.3-72.7171.6146.400111.4I80 R133 P153 T154 E161I80-E157 HydrophobicContact CD1-CB 4.19Å; R133-E157 IonicContact CZ-OE1 2.68Å; R133-E157 IonicContact CZ-OE2 3.73Å; R133-E157 IonicContact NH1-OE1 3.21Å; R133-E157 PolarHBondContact NH1-OE1 3.37Å; R133-E157 IonicContact NH1-OE2 2.83Å; R133-E157 PolarHBondContact NH1-OE2 3.5Å; R133-E157 IonicContact NH2-OE1 3.49Å; R133-E157 PolarHBondContact NH2-OE1 2.78Å; R133-E157 IonicContact NH2-OE2 3.43Å; R133-E157 PolarHBondContact NH2-OE2 2.87Å; P153-E157 WeakPolarHBondContact CA-OE2 3.45Å; P153-E157 HydrophobicContact CB-CB 4.42Å; T154-E157 PolarHBondContact N-OE2 3.12Å; T154-E157 PolarHBondContact O-N 3.41Å; T154-E157 VanDerWaalsContact OG1-CG 3.3Å; T154-E157 WeakPolarHBondContact OG1-CG 3.3Å; T154-E157 PolarHBondContact OG1-N 3.01Å; T154-E157 VanDerWaalsContact OG1-N 3.12Å; E157-E161 PolarHBondContact O-N 3Å; E157-E161 VanDerWaalsContact O-N 3.14Å
158A98.8Very high97.6Very high0 Ų046.9 Ų46.90%023%0.234CC..Hα-helixtrans-67.7-41.2176.900000112.6I80 I83 L96 L108 T154 L155 E156 E161 C162I80-A158 HydrophobicContact CD1-CB 4.31Å; I83-A158 HydrophobicContact CD1-CB 3.69Å; L96-A158 HydrophobicContact CD1-CB 4.14Å; L108-A158 HydrophobicContact CD1-CB 3.48Å; L108-A158 VanDerWaalsContact CD1-CB 3.48Å; L108-A158 HydrophobicContact CD2-CB 4.49Å; L108-A158 HydrophobicContact CG-CB 4.12Å; T154-A158 PolarHBondContact O-N 3.38Å; L155-A158 PolarHBondContact O-N 3.46Å; E156-A158 PolarHBondContact O-N 2.94Å; A158-E161 PolarHBondContact O-N 3.41Å; A158-C162 WeakPolarHBondContact O-CB 3.14Å; A158-C162 PolarHBondContact O-N 2.92Å; A158-C162 PolarHBondContact O-SG 3.24Å
159V98.8Very high98Very high0 Ų041.4 Ų41.40%020%0.201CC..Hα-helixtrans-60.7-47.5175.4162.70000111.2L155 E156 E161 C162 I163 I169 F171 L187 Y191 L194L155-V159 WeakPolarHBondContact O-CG2 3.44Å; L155-V159 PolarHBondContact O-N 3.48Å; E156-V159 WeakPolarHBondContact O-CB 3.48Å; E156-V159 PolarHBondContact O-N 3.03Å; E156-V159 VanDerWaalsContact O-N 3.12Å; V159-E161 VanDerWaalsContact C-N 3.32Å; V159-E161 PolarHBondContact O-N 2.73Å; V159-C162 PolarHBondContact O-N 3.43Å; V159-I163 HydrophobicContact CG1-CD1 3.65Å; V159-I163 HydrophobicContact CG1-CG1 4.38Å; V159-I163 VanDerWaalsContact O-CG1 3.29Å; V159-I163 WeakPolarHBondContact O-CG1 3.07Å; V159-I163 PolarHBondContact O-N 2.95Å; V159-I169 HydrophobicContact CB-CD1 4.49Å; V159-I169 HydrophobicContact CG2-CD1 4.04Å; V159-F171 HydrophobicContact CG2-CE1 3.81Å; V159-F171 HydrophobicContact CG2-CZ 3.71Å; V159-L187 HydrophobicContact CG2-CD1 4.39Å; V159-Y191 HydrophobicContact CG1-CD2 3.85Å; V159-Y191 HydrophobicContact CG1-CE2 4.25Å; V159-Y191 HydrophobicContact CG1-CG 4.25Å; V159-L194 HydrophobicContact CG1-CD1 4.1Å; V159-L194 HydrophobicContact CG1-CD2 4.09Å; V159-L194 HydrophobicContact CG1-CG 4.46Å
160E98.8Very high98.4Very high95 Ų9540 Ų4044%0.44419%0.185SC..Hα-helixtrans-58.4-44.4178.1-72.1179.7173.900111.5E156 I163 K164 Y191E156-E160 HydrophobicContact CG-CG 4.47Å; E156-E160 WeakPolarHBondContact O-CG 3.41Å; E156-E160 PolarHBondContact O-N 2.87Å; E160-I163 PolarHBondContact O-N 3.09Å; E160-K164 WeakPolarHBondContact O-CB 3.37Å; E160-K164 PolarHBondContact O-N 3.32Å; E160-Y191 HydrophobicContact CG-CE1 4.44Å; E160-Y191 PolarHBondContact OE1-OH 2.96Å
161E98.8Very high98.4Very high20 Ų2038.1 Ų38.19%0.09318%0.177CC..Hα-helixtrans-66.9-41.2178.2-166.172.6-155.200111.9I80 I83 R84 E157 A158 V159 K164 L165I80-E161 HydrophobicContact CD1-CB 4.43Å; I80-E161 HydrophobicContact CG2-CB 4.49Å; I80-E161 HydrophobicContact CG2-CG 4.01Å; I83-E161 HydrophobicContact CG2-CB 4.45Å; I83-E161 HydrophobicContact CG2-CG 4.12Å; R84-E161 HydrophobicContact CG-CG 4.2Å; R84-E161 WeakPolarHBondContact CG-OE1 3.38Å; R84-E161 IonicContact CZ-OE1 3.3Å; R84-E161 IonicContact CZ-OE2 3.69Å; R84-E161 VanDerWaalsContact NE-CD 3.27Å; R84-E161 IonicContact NE-OE1 3.49Å; R84-E161 PolarHBondContact NE-OE1 3.49Å; R84-E161 IonicContact NE-OE2 2.75Å; R84-E161 IonicContact NH2-OE1 3.58Å; R84-E161 PolarHBondContact NH2-OE1 2.97Å; R84-E161 IonicContact NH2-OE2 2.67Å; R84-E161 PolarHBondContact NH2-OE2 2.99Å; E157-E161 PolarHBondContact O-N 3Å; E157-E161 VanDerWaalsContact O-N 3.14Å; A158-E161 PolarHBondContact O-N 3.41Å; V159-E161 VanDerWaalsContact C-N 3.32Å; V159-E161 PolarHBondContact O-N 2.73Å; E161-K164 WeakPolarHBondContact O-CB 3.49Å; E161-K164 PolarHBondContact O-N 3.39Å; E161-K164 IonicContact OE1-NZ 3.64Å; E161-L165 HydrophobicContact CG-CD1 3.95Å; E161-L165 WeakPolarHBondContact O-CB 3.46Å; E161-L165 WeakPolarHBondContact O-CG 3.27Å; E161-L165 PolarHBondContact O-N 3.17Å
162C98.7Very high98.4Very high0 Ų035.4 Ų35.40%017%0.166CC..Hα-helixtrans-63.2-42.4176.8-69.50000112.2V94 A158 V159 K164 L165 K166 L167 I169V94-C162 VanDerWaalsContact CG2-SG 3.55Å; A158-C162 WeakPolarHBondContact O-CB 3.14Å; A158-C162 PolarHBondContact O-N 2.92Å; A158-C162 PolarHBondContact O-SG 3.24Å; V159-C162 PolarHBondContact O-N 3.43Å; C162-K164 VanDerWaalsContact C-N 3.35Å; C162-K164 PolarHBondContact O-N 3.45Å; C162-L165 CarbonylContact O-C 3.49Å; C162-L165 PolarHBondContact O-N 3.06Å; C162-K166 PolarHBondContact O-N 3.32Å; C162-L167 HydrophobicContact CB-CB 4.38Å; C162-L167 PolarHBondContact O-N 3.36Å; C162-I169 HydrophobicContact CB-CD1 3.46Å; C162-I169 VanDerWaalsContact CB-CD1 3.46Å; C162-I169 HydrophobicContact CB-CG1 3.57Å
163I98.5Very high98.4Very high54 Ų5435.3 Ų35.328%0.27717%0.165SC..Hα-helixtrans-60.9-45.9176.1-70.3167.3000110.2V159 E160 L165 K166 Y191 V193V159-I163 HydrophobicContact CG1-CD1 3.65Å; V159-I163 HydrophobicContact CG1-CG1 4.38Å; V159-I163 VanDerWaalsContact O-CG1 3.29Å; V159-I163 WeakPolarHBondContact O-CG1 3.07Å; V159-I163 PolarHBondContact O-N 2.95Å; E160-I163 PolarHBondContact O-N 3.09Å; I163-L165 VanDerWaalsContact C-N 3.28Å; I163-L165 PolarHBondContact O-N 3.13Å; I163-K166 PolarHBondContact O-N 3Å; I163-K166 VanDerWaalsContact O-N 3.14Å; I163-Y191 HydrophobicContact CD1-CD1 3.89Å; I163-Y191 HydrophobicContact CD1-CG 3.95Å; I163-V193 HydrophobicContact CD1-CG1 3.59Å; I163-V193 HydrophobicContact CG1-CG1 3.78Å; I163-V193 HydrophobicContact CG2-CG1 4.25Å
164K98.5Very high97.8Very high147 Ų14738.8 Ų38.864%0.63918%0.18SC*.Hα-helixtrans-59.1-39.7177.6177.9-175.7172.8-166.80112.2E160 E161 C162 K166E160-K164 WeakPolarHBondContact O-CB 3.37Å; E160-K164 PolarHBondContact O-N 3.32Å; E161-K164 WeakPolarHBondContact O-CB 3.49Å; E161-K164 PolarHBondContact O-N 3.39Å; E161-K164 IonicContact OE1-NZ 3.64Å; C162-K164 VanDerWaalsContact C-N 3.35Å; C162-K164 PolarHBondContact O-N 3.45Å; K164-K166 VanDerWaalsContact C-N 3.34Å
165L98.1Very high97.3Very high49 Ų4938.4 Ų38.426%0.25718%0.181SC..Hα-helixtrans-87-2.6-179.9-63.9171.6000113.7I83 R84 E161 C162 I163 L167I83-L165 HydrophobicContact CG2-CD1 3.97Å; R84-L165 HydrophobicContact CG-CD1 4.14Å; E161-L165 HydrophobicContact CG-CD1 3.95Å; E161-L165 WeakPolarHBondContact O-CB 3.46Å; E161-L165 WeakPolarHBondContact O-CG 3.27Å; E161-L165 PolarHBondContact O-N 3.17Å; C162-L165 CarbonylContact O-C 3.49Å; C162-L165 PolarHBondContact O-N 3.06Å; I163-L165 VanDerWaalsContact C-N 3.28Å; I163-L165 PolarHBondContact O-N 3.13Å; L165-L167 VanDerWaalsContact C-N 3.27Å; L165-L167 HydrophobicContact CB-CD1 4.01Å; L165-L167 HydrophobicContact CB-CG 3.96Å; L165-L167 HydrophobicContact CD1-CD1 4.21Å; L165-L167 PolarHBondContact O-N 3.3Å
166K97.2Very high97Very high191 Ų19143.8 Ų43.883%0.8321%0.206SC*.THydrogen-bonded Turntrans56.438.8-177.2-55.6175.1-179.3176.70112.9C162 I163 K164C162-K166 PolarHBondContact O-N 3.32Å; I163-K166 PolarHBondContact O-N 3Å; I163-K166 VanDerWaalsContact O-N 3.14Å; K164-K166 VanDerWaalsContact C-N 3.34Å
167L97.6Very high96.8Very high6 Ų641.6 Ų41.63%0.03120%0.197CC..PPolyproline II helixtrans-88.5138.4175.8-65.8171000110.4I83 A91 V94 C162 L165I83-L167 HydrophobicContact CG2-CD1 3.78Å; A91-L167 WeakPolarHBondContact O-CD2 3.11Å; V94-L167 HydrophobicContact CG1-CD1 3.89Å; V94-L167 HydrophobicContact CG2-CD1 4.46Å; C162-L167 HydrophobicContact CB-CB 4.38Å; C162-L167 PolarHBondContact O-N 3.36Å; L165-L167 VanDerWaalsContact C-N 3.27Å; L165-L167 HydrophobicContact CB-CD1 4.01Å; L165-L167 HydrophobicContact CB-CG 3.96Å; L165-L167 HydrophobicContact CD1-CD1 4.21Å; L165-L167 PolarHBondContact O-N 3.3Å
168T98.2Very high96.7Very high10 Ų1042.4 Ų42.46%0.06120%0.204CC..EExtended strand (participates in β ladder)trans-72.3129.7166.6-62.90000109.8V55 T92 G93 V94 Y170 S197V55-T168 HydrophobicContact CG1-CG2 3.88Å; V55-T168 WeakPolarHBondContact O-CG2 3.49Å; V55-T168 PolarHBondContact O-OG1 2.99Å; V55-T168 VanDerWaalsContact O-OG1 3.12Å; T92-T168 PolarHBondContact O-N 3.49Å; G93-T168 CarbonylContact C-O 3.55Å; G93-T168 WeakPolarHBondContact CA-O 3.47Å; V94-T168 PolarHBondContact N-O 3.41Å; T168-Y170 HydrophobicContact CG2-CD2 4.24Å; T168-Y170 HydrophobicContact CG2-CE2 3.76Å; T168-S197 CarbonylContact C-O 3.42Å; T168-S197 VanDerWaalsContact CA-O 3.28Å; T168-S197 WeakPolarHBondContact CA-O 3.41Å
169I98.6Very high96.6Very high1 Ų147 Ų471%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-97.6130.1-178.9-46175.7000110.8V94 L96 V159 C162 F171 L194 S197 S198 I199V94-I169 CarbonylContact O-C 3.4Å; L96-I169 HydrophobicContact CD1-CG2 3.89Å; L96-I169 HydrophobicContact CG-CG2 4.49Å; V159-I169 HydrophobicContact CB-CD1 4.49Å; V159-I169 HydrophobicContact CG2-CD1 4.04Å; C162-I169 HydrophobicContact CB-CD1 3.46Å; C162-I169 VanDerWaalsContact CB-CD1 3.46Å; C162-I169 HydrophobicContact CB-CG1 3.57Å; I169-F171 HydrophobicContact CB-CE1 4.41Å; I169-F171 HydrophobicContact CB-CE2 4.27Å; I169-F171 HydrophobicContact CB-CZ 4.11Å; I169-F171 HydrophobicContact CD1-CE1 4.4Å; I169-F171 HydrophobicContact CD1-CZ 3.94Å; I169-F171 HydrophobicContact CG2-CD1 3.73Å; I169-F171 HydrophobicContact CG2-CD2 4.27Å; I169-F171 HydrophobicContact CG2-CE1 3.49Å; I169-F171 VanDerWaalsContact CG2-CE1 3.49Å; I169-F171 HydrophobicContact CG2-CE2 4.08Å; I169-F171 HydrophobicContact CG2-CG 4.12Å; I169-F171 HydrophobicContact CG2-CZ 3.69Å; I169-L194 HydrophobicContact CD1-CD2 3.85Å; I169-S197 PolarHBondContact N-O 3.17Å; I169-S198 CarbonylContact O-C 3.54Å; I169-S198 WeakPolarHBondContact O-CA 3.45Å; I169-S198 WeakPolarHBondContact O-CB 3.39Å; I169-I199 PolarHBondContact O-N 3.46Å
170Y98.7Very high96.5Very high2 Ų247.1 Ų47.11%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-106.9101.1168.7-69.4-116.6000107L56 I66 V94 E95 L96 T168 D172 I199 L273 V295L56-Y170 HydrophobicContact CD2-CE1 3.92Å; L56-Y170 WeakPolarHBondContact CD2-OH 3.47Å; I66-Y170 HydrophobicContact CD1-CE2 4.38Å; I66-Y170 HydrophobicContact CG1-CD2 4.15Å; I66-Y170 HydrophobicContact CG1-CE2 3.55Å; I66-Y170 HydrophobicContact CG2-CD2 3.91Å; I66-Y170 HydrophobicContact CG2-CE2 4.19Å; I66-Y170 HydrophobicContact CG2-CG 4.34Å; V94-Y170 PolarHBondContact O-N 2.8Å; E95-Y170 CarbonylContact C-O 3.33Å; E95-Y170 VanDerWaalsContact CA-O 3.3Å; E95-Y170 WeakPolarHBondContact CA-O 3.28Å; L96-Y170 PolarHBondContact N-O 3.12Å; T168-Y170 HydrophobicContact CG2-CD2 4.24Å; T168-Y170 HydrophobicContact CG2-CE2 3.76Å; Y170-D172 PolarHBondContact O-N 3.4Å; Y170-I199 WeakPolarHBondContact CA-O 3.42Å; Y170-I199 HydrophobicContact CD1-CG2 3.32Å; Y170-I199 HydrophobicContact CD2-CG2 4.11Å; Y170-I199 HydrophobicContact CE1-CG2 3.63Å; Y170-I199 HydrophobicContact CE2-CG2 4.34Å; Y170-I199 HydrophobicContact CG-CG2 3.58Å; Y170-L273 HydrophobicContact CD1-CD1 4.44Å; Y170-L273 HydrophobicContact CD1-CD2 4.32Å; Y170-L273 HydrophobicContact CE1-CD1 4.46Å; Y170-V295 HydrophobicContact CE1-CG1 4.46Å; Y170-V295 HydrophobicContact CE1-CG2 4.32Å
171F98.6Very high96.4Very high0 Ų042.7 Ų42.70%021%0.206CC..EExtended strand (participates in β ladder)trans-79.4105176.8-61-70.2000108.9L155 V159 I169 V173 L184 Y188 L194 I199 V200 C201L155-F171 HydrophobicContact CD1-CD1 3.85Å; L155-F171 HydrophobicContact CD1-CE1 3.67Å; V159-F171 HydrophobicContact CG2-CE1 3.81Å; V159-F171 HydrophobicContact CG2-CZ 3.71Å; I169-F171 HydrophobicContact CB-CE1 4.41Å; I169-F171 HydrophobicContact CB-CE2 4.27Å; I169-F171 HydrophobicContact CB-CZ 4.11Å; I169-F171 HydrophobicContact CD1-CE1 4.4Å; I169-F171 HydrophobicContact CD1-CZ 3.94Å; I169-F171 HydrophobicContact CG2-CD1 3.73Å; I169-F171 HydrophobicContact CG2-CD2 4.27Å; I169-F171 HydrophobicContact CG2-CE1 3.49Å; I169-F171 VanDerWaalsContact CG2-CE1 3.49Å; I169-F171 HydrophobicContact CG2-CE2 4.08Å; I169-F171 HydrophobicContact CG2-CG 4.12Å; I169-F171 HydrophobicContact CG2-CZ 3.69Å; F171-V173 HydrophobicContact CB-CG2 4.49Å; F171-L184 HydrophobicContact CB-CD2 4.41Å; F171-L184 HydrophobicContact CD1-CD2 4.1Å; F171-L184 HydrophobicContact CD2-CD2 3.95Å; F171-L184 HydrophobicContact CE1-CD2 4.3Å; F171-L184 HydrophobicContact CE2-CD2 4.15Å; F171-L184 HydrophobicContact CG-CD2 3.91Å; F171-L184 HydrophobicContact CZ-CD2 4.32Å; F171-Y188 HydrophobicContact CE2-CE2 4.41Å; F171-L194 HydrophobicContact CZ-CD2 4.41Å; F171-I199 PolarHBondContact N-O 3.5Å; F171-V200 HydrophobicContact CB-CG2 4.45Å; F171-V200 HydrophobicContact CD2-CG2 4.13Å; F171-C201 PolarHBondContact O-N 3.08Å; F171-C201 VanDerWaalsContact O-O 3.11Å; F171-C201 PolarHBondContact O-SG 3.3Å; F171-C201 VanDerWaalsContact O-SG 3.35Å
172D98Very high96.4Very high16 Ų1644 Ų449%0.08622%0.22CC..EExtended strand (participates in β ladder)trans-84117.9171.3-168.524.1000109.9E95 L96 L98 Y170E95-D172 HydrophobicContact CG-CB 4.36Å; E95-D172 WeakPolarHBondContact OE1-CB 3.44Å; L96-D172 PolarHBondContact O-N 2.71Å; L98-D172 PolarHBondContact N-O 3.2Å; Y170-D172 PolarHBondContact O-N 3.4Å
173V96.9Very high96.3Very high1 Ų144.9 Ų44.91%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-113.1112.5-173.7-177.20000109.1L98 F171 S180 L184 V200 C201 S202 V207L98-V173 HydrophobicContact CB-CG2 4.28Å; L98-V173 HydrophobicContact CD2-CG1 4.43Å; L98-V173 HydrophobicContact CD2-CG2 4.08Å; F171-V173 HydrophobicContact CB-CG2 4.49Å; V173-S180 VanDerWaalsContact CG1-CB 3.49Å; V173-S180 WeakPolarHBondContact CG1-OG 3.45Å; V173-L184 HydrophobicContact CG2-CD1 3.98Å; V173-V200 HydrophobicContact CG2-CG1 3.87Å; V173-C201 PolarHBondContact N-O 3.25Å; V173-S202 WeakPolarHBondContact O-CB 3.43Å; V173-S202 PolarHBondContact O-OG 3.47Å; V173-V207 HydrophobicContact CB-CG1 3.7Å; V173-V207 HydrophobicContact CG1-CG1 3.42Å; V173-V207 VanDerWaalsContact CG1-CG1 3.42Å; V173-V207 HydrophobicContact CG1-CG2 4.44Å
174K86Confident96.3Very high73 Ų7342.3 Ų42.332%0.31721%0.214SC..  trans-89.4-12.7-172.5-66.6-175172.8-165.90115.7D97 H110 Q204D97-K174 WeakPolarHBondContact OD1-CE 3.38Å; D97-K174 IonicContact OD1-NZ 3.74Å; H110-K174 PolarHBondContact CD2-NZ 3.14Å; H110-K174 PolarHBondContact CE1-NZ 2.9Å; H110-K174 PolarHBondContact ND1-NZ 3.12Å; H110-K174 PolarHBondContact NE2-NZ 3.32Å; H110-K174 PolarHBondContact O-NZ 2.82Å; K174-Q204 PolarHBondContact O-NE2 2.88Å
175G87.6Confident96.3Very high15 Ų1538.2 Ų38.216%0.15520%0.196CC..SBendtrans-179.2-158.9-174.200000113.2S180G175-S180 PolarHBondContact O-OG 2.93Å
176H92.9Very high96.3Very high114 Ų11440.3 Ų40.353%0.52821%0.207SC..  trans4362.3178.2-56.294.5000113F100 D178 E179 S180F100-H176 HydrophobicContact CD2-CB 4.46Å; F100-H176 HydrophobicContact CE2-CB 4.25Å; H176-D178 VanDerWaalsContact C-N 3.27Å; H176-D178 PolarHBondContact O-N 3.3Å; H176-E179 VanDerWaalsContact C-OE2 3.31Å; H176-E179 WeakPolarHBondContact CA-OE2 3.41Å; H176-E179 HydrophobicContact CB-CB 4.12Å; H176-E179 HydrophobicContact CB-CG 4.48Å; H176-E179 WeakPolarHBondContact CB-OE2 3.44Å; H176-E179 PolarHBondContact O-N 2.74Å; H176-S180 WeakPolarHBondContact O-CB 3.49Å; H176-S180 PolarHBondContact O-N 2.84Å; H176-S180 PolarHBondContact O-OG 2.93Å
177P94.3Very high96.4Very high18 Ų1832 Ų3212%0.11717%0.172CC..Hα-helixtrans-58.9-35.7-167.8-2534.4000114A181 K206 V207 R210P177-A181 WeakPolarHBondContact O-CB 3.38Å; P177-A181 PolarHBondContact O-N 2.71Å; P177-A181 VanDerWaalsContact O-N 3.11Å; P177-K206 HydrophobicContact CB-CG 4.47Å; P177-K206 HydrophobicContact CG-CD 4.1Å; P177-K206 HydrophobicContact CG-CG 4.14Å; P177-V207 HydrophobicContact CB-CG2 4.26Å; P177-V207 HydrophobicContact CG-CG2 3.93Å; P177-R210 HydrophobicContact CB-CB 3.96Å; P177-R210 HydrophobicContact CB-CG 4.06Å; P177-R210 WeakPolarHBondContact O-CG 3.32Å
178D96.8Very high96.4Very high79 Ų7931.7 Ų31.742%0.42217%0.17SC..Hα-helixtrans-75-47.3-178.2-73.7-65.4000111.2H176 A181 A182 R210H176-D178 VanDerWaalsContact C-N 3.27Å; H176-D178 PolarHBondContact O-N 3.3Å; D178-A181 PolarHBondContact O-N 3.08Å; D178-A182 WeakPolarHBondContact O-CB 3.39Å; D178-A182 PolarHBondContact O-N 3.44Å; D178-R210 IonicContact OD1-CZ 2.99Å; D178-R210 IonicContact OD1-NE 2.69Å; D178-R210 PolarHBondContact OD1-NE 2.64Å; D178-R210 IonicContact OD1-NH2 2.76Å; D178-R210 PolarHBondContact OD1-NH2 2.9Å
179E96.4Very high96.4Very high97 Ų9737.3 Ų37.345%0.45319%0.194SC..Hα-helixtrans-65.4-44.6179-58.883.417000111.1F100 H176 A182 A183F100-E179 HydrophobicContact CE1-CB 4.14Å; F100-E179 HydrophobicContact CE2-CB 4.46Å; F100-E179 HydrophobicContact CZ-CB 3.97Å; H176-E179 VanDerWaalsContact C-OE2 3.31Å; H176-E179 WeakPolarHBondContact CA-OE2 3.41Å; H176-E179 HydrophobicContact CB-CB 4.12Å; H176-E179 HydrophobicContact CB-CG 4.48Å; H176-E179 WeakPolarHBondContact CB-OE2 3.44Å; H176-E179 PolarHBondContact O-N 2.74Å; E179-A182 PolarHBondContact O-N 3.35Å; E179-A183 WeakPolarHBondContact O-CB 3.36Å; E179-A183 PolarHBondContact O-N 2.89Å
180S97.1Very high96.4Very high2 Ų243 Ų431%0.01422%0.219CC..Hα-helixtrans-64-45.2177.2-570000111.8F100 V173 G175 H176 A182 A183 L184F100-S180 WeakPolarHBondContact CE2-OG 3.48Å; V173-S180 VanDerWaalsContact CG1-CB 3.49Å; V173-S180 WeakPolarHBondContact CG1-OG 3.45Å; G175-S180 PolarHBondContact O-OG 2.93Å; H176-S180 WeakPolarHBondContact O-CB 3.49Å; H176-S180 PolarHBondContact O-N 2.84Å; H176-S180 PolarHBondContact O-OG 2.93Å; S180-A182 VanDerWaalsContact C-N 3.29Å; S180-A182 PolarHBondContact O-N 2.84Å; S180-A183 PolarHBondContact O-N 2.88Å; S180-L184 VanDerWaalsContact O-CB 3.32Å; S180-L184 WeakPolarHBondContact O-CB 3.47Å; S180-L184 WeakPolarHBondContact O-CG 3.31Å; S180-L184 PolarHBondContact O-N 3.23Å
181A97.6Very high96.4Very high2 Ų244.8 Ų44.82%0.01723%0.226CC..Hα-helixtrans-67.7-30.1177.900000112.6P177 D178 K185 R210 M211 S214P177-A181 WeakPolarHBondContact O-CB 3.38Å; P177-A181 PolarHBondContact O-N 2.71Å; P177-A181 VanDerWaalsContact O-N 3.11Å; D178-A181 PolarHBondContact O-N 3.08Å; A181-K185 WeakPolarHBondContact O-CB 3.18Å; A181-K185 PolarHBondContact O-N 3.09Å; A181-K185 VanDerWaalsContact O-N 3.14Å; A181-R210 HydrophobicContact CB-CG 4.04Å; A181-M211 HydrophobicContact CB-SD 4.28Å; A181-S214 PolarHBondContact O-OG 3.22Å
182A97.6Very high96.4Very high47 Ų4748.6 Ų48.639%0.38825%0.25SS..Hα-helixtrans-71.4-52.4173.600000111.2D178 E179 S180 L184 K185 D186D178-A182 WeakPolarHBondContact O-CB 3.39Å; D178-A182 PolarHBondContact O-N 3.44Å; E179-A182 PolarHBondContact O-N 3.35Å; S180-A182 VanDerWaalsContact C-N 3.29Å; S180-A182 PolarHBondContact O-N 2.84Å; A182-L184 PolarHBondContact O-N 2.83Å; A182-K185 PolarHBondContact O-N 3.49Å; A182-D186 PolarHBondContact O-N 3.49Å
183A97.8Very high96.4Very high18 Ų1851.2 Ų51.215%0.14927%0.267CS..Hα-helixtrans-58.6-46.8-179.800000112.1F100 P106 E179 S180 D186 L187F100-A183 HydrophobicContact CE1-CB 4.33Å; F100-A183 HydrophobicContact CZ-CB 4.4Å; P106-A183 HydrophobicContact CB-CB 4.37Å; P106-A183 HydrophobicContact CG-CB 3.74Å; E179-A183 WeakPolarHBondContact O-CB 3.36Å; E179-A183 PolarHBondContact O-N 2.89Å; S180-A183 PolarHBondContact O-N 2.88Å; A183-D186 PolarHBondContact O-N 3.36Å; A183-L187 PolarHBondContact O-N 3.44Å; A183-L187 VanDerWaalsContact O-N 3.11Å
184L98.3Very high96.4Very high1 Ų151.2 Ų51.21%0.00527%0.267CS..Hα-helixtrans-65.2-45.9176.4-71.3169.2000111L98 L155 F171 V173 S180 A182 D186 L187 Y188 V200 M211L98-L184 HydrophobicContact CD2-CD1 4.32Å; L98-L184 HydrophobicContact CD2-CG 4.31Å; L155-L184 HydrophobicContact CD2-CD2 4.05Å; F171-L184 HydrophobicContact CB-CD2 4.41Å; F171-L184 HydrophobicContact CD1-CD2 4.1Å; F171-L184 HydrophobicContact CD2-CD2 3.95Å; F171-L184 HydrophobicContact CE1-CD2 4.3Å; F171-L184 HydrophobicContact CE2-CD2 4.15Å; F171-L184 HydrophobicContact CG-CD2 3.91Å; F171-L184 HydrophobicContact CZ-CD2 4.32Å; V173-L184 HydrophobicContact CG2-CD1 3.98Å; S180-L184 VanDerWaalsContact O-CB 3.32Å; S180-L184 WeakPolarHBondContact O-CB 3.47Å; S180-L184 WeakPolarHBondContact O-CG 3.31Å; S180-L184 PolarHBondContact O-N 3.23Å; A182-L184 PolarHBondContact O-N 2.83Å; L184-D186 VanDerWaalsContact C-N 3.26Å; L184-D186 PolarHBondContact O-N 3.46Å; L184-L187 CarbonylContact O-C 3.42Å; L184-L187 WeakPolarHBondContact O-CA 3.4Å; L184-L187 WeakPolarHBondContact O-CB 3.19Å; L184-L187 PolarHBondContact O-N 3.14Å; L184-Y188 HydrophobicContact CB-CD2 4.47Å; L184-Y188 HydrophobicContact CB-CE2 4.5Å; L184-Y188 VanDerWaalsContact O-CD2 3.26Å; L184-Y188 WeakPolarHBondContact O-CD2 3.46Å; L184-Y188 PolarHBondContact O-N 3.02Å; L184-V200 HydrophobicContact CD1-CG1 3.97Å; L184-V200 HydrophobicContact CD1-CG2 3.87Å; L184-M211 HydrophobicContact CB-SD 3.95Å; L184-M211 HydrophobicContact CD1-SD 4.09Å
185K98.1Very high97Very high60 Ų6049.7 Ų49.726%0.26126%0.259SS..Hα-helixtrans-56.1-41.3177.9175.8166.9-179.51680112.6A181 A182 L187 Y188 K189 S214A181-K185 WeakPolarHBondContact O-CB 3.18Å; A181-K185 PolarHBondContact O-N 3.09Å; A181-K185 VanDerWaalsContact O-N 3.14Å; A182-K185 PolarHBondContact O-N 3.49Å; K185-L187 VanDerWaalsContact C-N 3.34Å; K185-Y188 PolarHBondContact O-N 2.94Å; K185-K189 HydrophobicContact CG-CD 4.49Å; K185-K189 WeakPolarHBondContact O-CG 3.48Å; K185-K189 PolarHBondContact O-N 2.59Å; K185-S214 WeakPolarHBondContact CD-OG 3.31Å; K185-S214 PolarHBondContact NZ-O 3.19Å
186D98.2Very high97.4Very high94 Ų9453 Ų5350%0.50327%0.274SS..Hα-helixtrans-67.6-36.5177.3-70.3-20.2000111.7A182 A183 L184 K189 K190A182-D186 PolarHBondContact O-N 3.49Å; A183-D186 PolarHBondContact O-N 3.36Å; L184-D186 VanDerWaalsContact C-N 3.26Å; L184-D186 PolarHBondContact O-N 3.46Å; D186-K189 PolarHBondContact O-N 2.84Å; D186-K189 IonicContact OD1-NZ 2.79Å; D186-K190 WeakPolarHBondContact O-CB 3.28Å; D186-K190 PolarHBondContact O-N 2.89Å
187L98.3Very high97.6Very high15 Ų1548.6 Ų48.68%0.07926%0.255CS..Hα-helixtrans-64.9-44.5170.9-76.9169.2000113.3L155 E156 V159 A183 L184 K185 K189 K190 Y191 L194L155-L187 HydrophobicContact CB-CD1 4.39Å; L155-L187 HydrophobicContact CD2-CD1 3.2Å; L155-L187 HydrophobicContact CG-CD1 3.49Å; L155-L187 VanDerWaalsContact CG-CD1 3.49Å; E156-L187 HydrophobicContact CB-CD2 4.14Å; E156-L187 HydrophobicContact CG-CD2 4.42Å; V159-L187 HydrophobicContact CG2-CD1 4.39Å; A183-L187 PolarHBondContact O-N 3.44Å; A183-L187 VanDerWaalsContact O-N 3.11Å; L184-L187 CarbonylContact O-C 3.42Å; L184-L187 WeakPolarHBondContact O-CA 3.4Å; L184-L187 WeakPolarHBondContact O-CB 3.19Å; L184-L187 PolarHBondContact O-N 3.14Å; K185-L187 VanDerWaalsContact C-N 3.34Å; L187-K189 VanDerWaalsContact C-N 3.29Å; L187-K189 PolarHBondContact O-N 2.61Å; L187-K190 PolarHBondContact O-N 2.92Å; L187-Y191 HydrophobicContact CD2-CD2 3.99Å; L187-Y191 HydrophobicContact CD2-CE2 3.87Å; L187-Y191 PolarHBondContact O-N 2.84Å; L187-L194 HydrophobicContact CB-CD1 4.19Å
188Y98.4Very high97.8Very high0 Ų047.8 Ų47.80%025%0.25CC..Hα-helixtrans-63.4-35.4176.9-85.5-93.2000111.8F171 L184 K185 Y191 P192 L194 Y195 S198 V200 V218F171-Y188 HydrophobicContact CE2-CE2 4.41Å; L184-Y188 HydrophobicContact CB-CD2 4.47Å; L184-Y188 HydrophobicContact CB-CE2 4.5Å; L184-Y188 VanDerWaalsContact O-CD2 3.26Å; L184-Y188 WeakPolarHBondContact O-CD2 3.46Å; L184-Y188 PolarHBondContact O-N 3.02Å; K185-Y188 PolarHBondContact O-N 2.94Å; Y188-Y191 CarbonylContact O-C 3.58Å; Y188-P192 WeakPolarHBondContact O-CA 3.27Å; Y188-L194 HydrophobicContact CD1-CB 3.59Å; Y188-L194 VanDerWaalsContact CE1-C 3.47Å; Y188-L194 HydrophobicContact CE1-CB 3.56Å; Y188-L194 HydrophobicContact CG-CB 4.16Å; Y188-L194 HydrophobicContact CG-CD1 4.48Å; Y188-Y195 AromaticContact CD1-CD1 3.66Å; Y188-Y195 HydrophobicContact CD1-CD1 3.66Å; Y188-Y195 HydrophobicContact CD1-CD2 4.13Å; Y188-Y195 AromaticContact CD1-CE1 3.68Å; Y188-Y195 HydrophobicContact CD1-CE1 3.68Å; Y188-Y195 HydrophobicContact CD1-CE2 4.13Å; Y188-Y195 AromaticContact CD1-CG 3.89Å; Y188-Y195 HydrophobicContact CD1-CG 3.89Å; Y188-Y195 AromaticContact CD1-CZ 3.92Å; Y188-Y195 HydrophobicContact CE1-CD1 4.06Å; Y188-Y195 HydrophobicContact CE1-CE1 4.4Å; Y188-Y195 HydrophobicContact CE1-CG 4.38Å; Y188-Y195 HydrophobicContact CG-CE1 4.33Å; Y188-S198 WeakPolarHBondContact CE1-OG 3.2Å; Y188-S198 VanDerWaalsContact CZ-OG 3.24Å; Y188-S198 PolarHBondContact OH-OG 2.98Å; Y188-V200 HydrophobicContact CE2-CG2 4.33Å; Y188-V218 HydrophobicContact CD1-CG2 3.8Å; Y188-V218 HydrophobicContact CD2-CG2 3.96Å; Y188-V218 HydrophobicContact CE1-CG1 4.33Å; Y188-V218 HydrophobicContact CE1-CG2 3.74Å; Y188-V218 HydrophobicContact CE2-CG1 4.06Å; Y188-V218 HydrophobicContact CE2-CG2 3.89Å; Y188-V218 HydrophobicContact CG-CG2 3.92Å
189K98.3Very high97.9Very high128 Ų12844 Ų4456%0.55723%0.23SC*.Hα-helixtrans-65.9-43.6171.9-74.7173-179.2171.60112.2K185 D186 L187K185-K189 HydrophobicContact CG-CD 4.49Å; K185-K189 WeakPolarHBondContact O-CG 3.48Å; K185-K189 PolarHBondContact O-N 2.59Å; D186-K189 PolarHBondContact O-N 2.84Å; D186-K189 IonicContact OD1-NZ 2.79Å; L187-K189 VanDerWaalsContact C-N 3.29Å; L187-K189 PolarHBondContact O-N 2.61Å
190K98.5Very high98Very high121 Ų12139.4 Ų39.453%0.52621%0.208SC..Hα-helixtrans-70.6-36.7-179.8-171.9172.2178.5-178.60112.1E156 D186 L187 P192E156-K190 VanDerWaalsContact OE1-CD 3.27Å; E156-K190 WeakPolarHBondContact OE1-CD 3.38Å; E156-K190 WeakPolarHBondContact OE1-CE 3.1Å; E156-K190 IonicContact OE1-NZ 3.19Å; E156-K190 PolarHBondContact OE1-NZ 2.93Å; E156-K190 IonicContact OE2-NZ 2.88Å; D186-K190 WeakPolarHBondContact O-CB 3.28Å; D186-K190 PolarHBondContact O-N 2.89Å; L187-K190 PolarHBondContact O-N 2.92Å; K190-P192 WeakPolarHBondContact O-CD 3.46Å
191Y98.5Very high98Very high40 Ų4039.3 Ų39.316%0.15721%0.208CC..  trans-125.577.2-178.3-54.8-72.8000111.4E156 V159 E160 I163 L187 Y188 V193 L194E156-Y191 HydrophobicContact CG-CE2 4.4Å; E156-Y191 WeakPolarHBondContact OE1-CE2 3.46Å; E156-Y191 PolarHBondContact OE1-OH 3.21Å; V159-Y191 HydrophobicContact CG1-CD2 3.85Å; V159-Y191 HydrophobicContact CG1-CE2 4.25Å; V159-Y191 HydrophobicContact CG1-CG 4.25Å; E160-Y191 HydrophobicContact CG-CE1 4.44Å; E160-Y191 PolarHBondContact OE1-OH 2.96Å; I163-Y191 HydrophobicContact CD1-CD1 3.89Å; I163-Y191 HydrophobicContact CD1-CG 3.95Å; L187-Y191 HydrophobicContact CD2-CD2 3.99Å; L187-Y191 HydrophobicContact CD2-CE2 3.87Å; L187-Y191 PolarHBondContact O-N 2.84Å; Y188-Y191 CarbonylContact O-C 3.58Å; Y191-V193 PolarHBondContact O-N 3.35Å; Y191-L194 VanDerWaalsContact O-CB 3.3Å; Y191-L194 WeakPolarHBondContact O-CB 3.46Å; Y191-L194 WeakPolarHBondContact O-CG 3.42Å; Y191-L194 PolarHBondContact O-N 2.84Å
192P98.2Very high98Very high80 Ų8039.2 Ų39.252%0.51921%0.207SC..G310 helixtrans-59-17.4-179.2-26.535.6000114.8Y188 K190 L194 Y195Y188-P192 WeakPolarHBondContact O-CA 3.27Å; K190-P192 WeakPolarHBondContact O-CD 3.46Å; P192-L194 PolarHBondContact O-N 2.84Å; P192-Y195 HydrophobicContact CB-CD2 4.37Å; P192-Y195 VanDerWaalsContact O-CD2 3.27Å; P192-Y195 WeakPolarHBondContact O-CD2 3.29Å; P192-Y195 PolarHBondContact O-N 3.02Å
193V97.8Very high97.9Very high71 Ų7141 Ų4143%0.4321%0.206SC..G310 helixtrans-57.7-26.9171.968.80000112.4I163 Y191 Y195 N196 S197I163-V193 HydrophobicContact CD1-CG1 3.59Å; I163-V193 HydrophobicContact CG1-CG1 3.78Å; I163-V193 HydrophobicContact CG2-CG1 4.25Å; Y191-V193 PolarHBondContact O-N 3.35Å; V193-Y195 PolarHBondContact O-N 2.87Å; V193-N196 CarbonylContact O-C 3.38Å; V193-N196 PolarHBondContact O-N 3.42Å; V193-S197 VanDerWaalsContact C-OG 3.28Å; V193-S197 PolarHBondContact O-N 3.26Å; V193-S197 PolarHBondContact O-OG 3.47Å
194L98.2Very high97.8Very high0 Ų044.2 Ų44.20%022%0.218CC..G310 helixtrans-59.5-31.8179-70178.6000112.5V159 I169 F171 L187 Y188 Y191 P192 N196 S197 S198V159-L194 HydrophobicContact CG1-CD1 4.1Å; V159-L194 HydrophobicContact CG1-CD2 4.09Å; V159-L194 HydrophobicContact CG1-CG 4.46Å; I169-L194 HydrophobicContact CD1-CD2 3.85Å; F171-L194 HydrophobicContact CZ-CD2 4.41Å; L187-L194 HydrophobicContact CB-CD1 4.19Å; Y188-L194 HydrophobicContact CD1-CB 3.59Å; Y188-L194 VanDerWaalsContact CE1-C 3.47Å; Y188-L194 HydrophobicContact CE1-CB 3.56Å; Y188-L194 HydrophobicContact CG-CB 4.16Å; Y188-L194 HydrophobicContact CG-CD1 4.48Å; Y191-L194 VanDerWaalsContact O-CB 3.3Å; Y191-L194 WeakPolarHBondContact O-CB 3.46Å; Y191-L194 WeakPolarHBondContact O-CG 3.42Å; Y191-L194 PolarHBondContact O-N 2.84Å; P192-L194 PolarHBondContact O-N 2.84Å; L194-N196 PolarHBondContact O-N 3.38Å; L194-S197 WeakPolarHBondContact CA-OG 3.29Å; L194-S197 PolarHBondContact O-N 2.91Å; L194-S197 VanDerWaalsContact O-N 3.13Å; L194-S198 PolarHBondContact O-N 2.8Å; L194-S198 PolarHBondContact O-OG 3.19Å
195Y97.4Very high97.6Very high41 Ų4145.6 Ų45.616%0.16123%0.227CC..G310 helixtrans-57-23.8174.6-71.5-68.7000113R51 Y188 P192 V193 D215 E217 V218R51-Y195 PolarHBondContact NE-O 3.31Å; R51-Y195 PolarHBondContact NH2-O 3.45Å; Y188-Y195 AromaticContact CD1-CD1 3.66Å; Y188-Y195 HydrophobicContact CD1-CD1 3.66Å; Y188-Y195 HydrophobicContact CD1-CD2 4.13Å; Y188-Y195 AromaticContact CD1-CE1 3.68Å; Y188-Y195 HydrophobicContact CD1-CE1 3.68Å; Y188-Y195 HydrophobicContact CD1-CE2 4.13Å; Y188-Y195 AromaticContact CD1-CG 3.89Å; Y188-Y195 HydrophobicContact CD1-CG 3.89Å; Y188-Y195 AromaticContact CD1-CZ 3.92Å; Y188-Y195 HydrophobicContact CE1-CD1 4.06Å; Y188-Y195 HydrophobicContact CE1-CE1 4.4Å; Y188-Y195 HydrophobicContact CE1-CG 4.38Å; Y188-Y195 HydrophobicContact CG-CE1 4.33Å; P192-Y195 HydrophobicContact CB-CD2 4.37Å; P192-Y195 VanDerWaalsContact O-CD2 3.27Å; P192-Y195 WeakPolarHBondContact O-CD2 3.29Å; P192-Y195 PolarHBondContact O-N 3.02Å; V193-Y195 PolarHBondContact O-N 2.87Å; Y195-D215 PolarHBondContact OH-OD2 2.85Å; Y195-E217 HydrophobicContact CD1-CB 4.03Å; Y195-E217 HydrophobicContact CE1-CB 3.77Å; Y195-V218 HydrophobicContact CD1-CG2 4.35Å; Y195-V218 HydrophobicContact CE1-CG2 3.88Å
196N96.7Very high97.5Very high86 Ų8649.4 Ų49.446%0.4624%0.244SC..G310 helixtrans-119.710.4-179.1-59.1-47.6000113.3R51 V193 L194R51-N196 PolarHBondContact NE-OD1 2.94Å; V193-N196 CarbonylContact O-C 3.38Å; V193-N196 PolarHBondContact O-N 3.42Å; L194-N196 PolarHBondContact O-N 3.38Å
197S97Very high97.4Very high21 Ų2145.1 Ų45.115%0.14722%0.221CC..THydrogen-bonded Turntrans-144.317.3-177.756.30000112.9T168 I169 V193 L194T168-S197 CarbonylContact C-O 3.42Å; T168-S197 VanDerWaalsContact CA-O 3.28Å; T168-S197 WeakPolarHBondContact CA-O 3.41Å; I169-S197 PolarHBondContact N-O 3.17Å; V193-S197 VanDerWaalsContact C-OG 3.28Å; V193-S197 PolarHBondContact O-N 3.26Å; V193-S197 PolarHBondContact O-OG 3.47Å; L194-S197 WeakPolarHBondContact CA-OG 3.29Å; L194-S197 PolarHBondContact O-N 2.91Å; L194-S197 VanDerWaalsContact O-N 3.13Å
198S98.3Very high97.4Very high0 Ų044.4 Ų44.40%022%0.217CC..EExtended strand (participates in β ladder)trans-154.7162.7176.965.50000113.8I169 Y188 L194I169-S198 CarbonylContact O-C 3.54Å; I169-S198 WeakPolarHBondContact O-CA 3.45Å; I169-S198 WeakPolarHBondContact O-CB 3.39Å; Y188-S198 WeakPolarHBondContact CE1-OG 3.2Å; Y188-S198 VanDerWaalsContact CZ-OG 3.24Å; Y188-S198 PolarHBondContact OH-OG 2.98Å; L194-S198 PolarHBondContact O-N 2.8Å; L194-S198 PolarHBondContact O-OG 3.19Å
199I98.4Very high97.3Very high0 Ų047 Ų470%023%0.227CC..EExtended strand (participates in β ladder)trans-140.7143173.3-172.6163000109.4L56 I169 Y170 F171 L219 A221 A271L56-I199 HydrophobicContact CD2-CD1 3.98Å; L56-I199 HydrophobicContact CD2-CG2 4.25Å; I169-I199 PolarHBondContact O-N 3.46Å; Y170-I199 WeakPolarHBondContact CA-O 3.42Å; Y170-I199 HydrophobicContact CD1-CG2 3.32Å; Y170-I199 HydrophobicContact CD2-CG2 4.11Å; Y170-I199 HydrophobicContact CE1-CG2 3.63Å; Y170-I199 HydrophobicContact CE2-CG2 4.34Å; Y170-I199 HydrophobicContact CG-CG2 3.58Å; F171-I199 PolarHBondContact N-O 3.5Å; I199-L219 HydrophobicContact CB-CB 4.34Å; I199-L219 HydrophobicContact CD1-CB 4.43Å; I199-L219 HydrophobicContact CG1-CB 4.08Å; I199-A221 HydrophobicContact CD1-CB 3.76Å; I199-A221 HydrophobicContact CG1-CB 4.22Å; I199-A271 HydrophobicContact CD1-CB 4.02Å
200V98.6Very high97.3Very high1 Ų144 Ų441%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-99.7120.3174.4-179.40000109.3F171 V173 L184 Y188 I208 M211 V218 L219 T220 A221F171-V200 HydrophobicContact CB-CG2 4.45Å; F171-V200 HydrophobicContact CD2-CG2 4.13Å; V173-V200 HydrophobicContact CG2-CG1 3.87Å; L184-V200 HydrophobicContact CD1-CG1 3.97Å; L184-V200 HydrophobicContact CD1-CG2 3.87Å; Y188-V200 HydrophobicContact CE2-CG2 4.33Å; V200-I208 HydrophobicContact CG1-CD1 4.39Å; V200-M211 HydrophobicContact CB-CG 4.38Å; V200-M211 HydrophobicContact CG1-CG 4.26Å; V200-M211 HydrophobicContact CG2-CG 4.31Å; V200-M211 HydrophobicContact CG2-SD 4.5Å; V200-V218 HydrophobicContact CB-CG1 4.34Å; V200-V218 HydrophobicContact CG2-CG1 3.67Å; V200-L219 PolarHBondContact N-O 3.43Å; V200-T220 HydrophobicContact CB-CG2 4.39Å; V200-T220 CarbonylContact O-C 3.08Å; V200-T220 WeakPolarHBondContact O-CA 3.31Å; V200-A221 PolarHBondContact O-N 3.06Å
201C98.1Very high97.3Very high0 Ų038.4 Ų38.40%019%0.188CC..EExtended strand (participates in β ladder)trans-117.2156.2178.547.20000111.8F171 V173 A221 L273F171-C201 PolarHBondContact O-N 3.08Å; F171-C201 VanDerWaalsContact O-O 3.11Å; F171-C201 PolarHBondContact O-SG 3.3Å; F171-C201 VanDerWaalsContact O-SG 3.35Å; V173-C201 PolarHBondContact N-O 3.25Å; C201-A221 WeakPolarHBondContact CA-O 3.33Å; C201-A221 HydrophobicContact CB-CB 4.11Å; C201-L273 HydrophobicContact CB-CD1 4.34Å; C201-L273 HydrophobicContact CB-CD2 3.79Å
202S97.6Very high97.2Very high0 Ų036.6 Ų36.60%018%0.181CC..EExtended strand (participates in β ladder)trans-167.1146.3177.9-174.60000110.8V173 Q204 T223V173-S202 WeakPolarHBondContact O-CB 3.43Å; V173-S202 PolarHBondContact O-OG 3.47Å; S202-Q204 PolarHBondContact O-N 2.84Å; S202-Q204 PolarHBondContact OG-N 2.95Å; S202-T223 PolarHBondContact N-OG1 3.48Å; S202-T223 PolarHBondContact O-N 3.32Å
203F95.3Very high97.1Very high85 Ų8538.2 Ų38.237%0.37318%0.182SC..SBendtrans-69.9-14.8163.9-73.9-89.6000113.4P205 T223 R225 W297F203-P205 WeakPolarHBondContact O-CD 3.34Å; F203-T223 WeakPolarHBondContact CA-O 3.48Å; F203-T223 HydrophobicContact CD1-CG2 4.06Å; F203-T223 HydrophobicContact CD2-CG2 3.85Å; F203-T223 HydrophobicContact CE1-CG2 3.67Å; F203-T223 HydrophobicContact CE2-CG2 3.42Å; F203-T223 VanDerWaalsContact CE2-CG2 3.42Å; F203-T223 HydrophobicContact CG-CG2 4.16Å; F203-T223 HydrophobicContact CZ-CG2 3.33Å; F203-R225 HydrophobicContact CE1-CB 4.13Å; F203-W297 AromaticContact CE1-CH2 3.91Å; F203-W297 HydrophobicContact CE1-CH2 3.91Å; F203-W297 AromaticContact CE1-CZ2 3.71Å; F203-W297 HydrophobicContact CE1-CZ2 3.71Å; F203-W297 AromaticContact CZ-CH2 3.5Å; F203-W297 HydrophobicContact CZ-CH2 3.5Å; F203-W297 AromaticContact CZ-CZ2 3.47Å; F203-W297 HydrophobicContact CZ-CZ2 3.47Å; F203-W297 VanDerWaalsContact CZ-CZ2 3.47Å; F203-W297 HydrophobicContact CZ-CZ3 4.41Å
204Q95Very high97.1Very high84 Ų8435.7 Ų35.739%0.39317%0.167SC..  trans-102.7109.8-177.3-60.8-164.826.500111K174 S202 K206 V207 I208K174-Q204 PolarHBondContact O-NE2 2.88Å; S202-Q204 PolarHBondContact O-N 2.84Å; S202-Q204 PolarHBondContact OG-N 2.95Å; Q204-K206 PolarHBondContact O-N 2.98Å; Q204-V207 HydrophobicContact CB-CB 4.33Å; Q204-V207 HydrophobicContact CB-CG2 3.85Å; Q204-V207 WeakPolarHBondContact O-CB 3.36Å; Q204-V207 PolarHBondContact O-N 2.78Å; Q204-I208 PolarHBondContact O-N 3.32Å
205P95Very high97Very high30 Ų3036.3 Ų36.320%0.19517%0.171CC..Hα-helixtrans-57.1-29.3177.6-25.533.5000113.6F203 V207 I208 Y209 L222 L263F203-P205 WeakPolarHBondContact O-CD 3.34Å; P205-V207 VanDerWaalsContact C-N 3.32Å; P205-V207 PolarHBondContact O-N 3.39Å; P205-I208 PolarHBondContact O-N 3.09Å; P205-Y209 WeakPolarHBondContact O-CB 3.39Å; P205-Y209 PolarHBondContact O-N 3.49Å; P205-L222 HydrophobicContact CB-CD2 4.07Å; P205-L222 HydrophobicContact CG-CD2 4.09Å; P205-L263 HydrophobicContact CB-CD1 4.31Å; P205-L263 HydrophobicContact CB-CD2 4.13Å; P205-L263 HydrophobicContact CG-CD1 3.77Å; P205-L263 HydrophobicContact CG-CD2 4.46Å
206K95.8Very high96.9Very high141 Ų14137.7 Ų37.761%0.61318%0.184SC*.Hα-helixtrans-60.8-39.5176-175.4-179.7176.4-1730112.2P177 Q204 R210P177-K206 HydrophobicContact CB-CG 4.47Å; P177-K206 HydrophobicContact CG-CD 4.1Å; P177-K206 HydrophobicContact CG-CG 4.14Å; Q204-K206 PolarHBondContact O-N 2.98Å; K206-R210 VanDerWaalsContact O-CB 3.23Å; K206-R210 WeakPolarHBondContact O-CB 3.35Å; K206-R210 PolarHBondContact O-N 3.49Å
207V96.8Very high96.9Very high4 Ų439.1 Ų39.12%0.02419%0.188CC..Hα-helixtrans-64.1-48.5177.5171.50000109.8V173 P177 Q204 P205 Y209 R210 M211V173-V207 HydrophobicContact CB-CG1 3.7Å; V173-V207 HydrophobicContact CG1-CG1 3.42Å; V173-V207 VanDerWaalsContact CG1-CG1 3.42Å; V173-V207 HydrophobicContact CG1-CG2 4.44Å; P177-V207 HydrophobicContact CB-CG2 4.26Å; P177-V207 HydrophobicContact CG-CG2 3.93Å; Q204-V207 HydrophobicContact CB-CB 4.33Å; Q204-V207 HydrophobicContact CB-CG2 3.85Å; Q204-V207 WeakPolarHBondContact O-CB 3.36Å; Q204-V207 PolarHBondContact O-N 2.78Å; P205-V207 VanDerWaalsContact C-N 3.32Å; P205-V207 PolarHBondContact O-N 3.39Å; V207-Y209 PolarHBondContact O-N 3.11Å; V207-R210 PolarHBondContact O-N 3.22Å; V207-M211 WeakPolarHBondContact O-CB 3.18Å; V207-M211 PolarHBondContact O-N 2.84Å
208I97.7Very high96.9Very high0 Ų038.1 Ų38.10%018%0.181CC..Hα-helixtrans-62-47178.9-60.2-50000111.5V200 Q204 P205 R210 M211 R212 T220 A221 L222 C267 I269V200-I208 HydrophobicContact CG1-CD1 4.39Å; Q204-I208 PolarHBondContact O-N 3.32Å; P205-I208 PolarHBondContact O-N 3.09Å; I208-R210 VanDerWaalsContact C-N 3.3Å; I208-R210 PolarHBondContact O-N 2.67Å; I208-M211 PolarHBondContact O-N 3Å; I208-R212 HydrophobicContact CG2-CG 4.46Å; I208-R212 VanDerWaalsContact O-CG 3.31Å; I208-R212 WeakPolarHBondContact O-CG 3.26Å; I208-R212 PolarHBondContact O-N 3.28Å; I208-T220 HydrophobicContact CG2-CG2 4.06Å; I208-A221 VanDerWaalsContact CD1-O 3.24Å; I208-A221 WeakPolarHBondContact CD1-O 3.37Å; I208-A221 WeakPolarHBondContact CG1-O 3.43Å; I208-L222 HydrophobicContact CB-CD2 4.31Å; I208-L222 HydrophobicContact CG1-CD2 3.9Å; I208-C267 HydrophobicContact CG2-CB 3.85Å; I208-I269 HydrophobicContact CG2-CG2 3.95Å
209Y97.1Very high96.9Very high54 Ų5438.1 Ų38.121%0.21218%0.182CC..Hα-helixtrans-58.9-44177-171.7-85.4000111.3F42 F44 P205 V207 M211 R212 Q213 L266F42-Y209 VanDerWaalsContact O-CE2 3.31Å; F42-Y209 WeakPolarHBondContact O-CE2 3.22Å; F42-Y209 PolarHBondContact O-OH 2.96Å; F42-Y209 VanDerWaalsContact O-OH 3.12Å; F44-Y209 HydrophobicContact CD2-CD2 4.12Å; F44-Y209 HydrophobicContact CD2-CE2 4.05Å; F44-Y209 HydrophobicContact CE2-CD1 4.2Å; F44-Y209 AromaticContact CE2-CD2 3.71Å; F44-Y209 HydrophobicContact CE2-CD2 3.71Å; F44-Y209 HydrophobicContact CE2-CE1 4.03Å; F44-Y209 AromaticContact CE2-CE2 3.53Å; F44-Y209 HydrophobicContact CE2-CE2 3.53Å; F44-Y209 HydrophobicContact CE2-CG 4.05Å; F44-Y209 AromaticContact CE2-CZ 3.7Å; F44-Y209 HydrophobicContact CZ-CE1 4.46Å; F44-Y209 HydrophobicContact CZ-CE2 4.5Å; P205-Y209 WeakPolarHBondContact O-CB 3.39Å; P205-Y209 PolarHBondContact O-N 3.49Å; V207-Y209 PolarHBondContact O-N 3.11Å; Y209-M211 PolarHBondContact O-N 3.13Å; Y209-R212 PolarHBondContact O-N 2.86Å; Y209-Q213 WeakPolarHBondContact O-CB 3.27Å; Y209-Q213 PolarHBondContact O-N 2.85Å; Y209-L266 HydrophobicContact CD2-CG 4.18Å; Y209-L266 HydrophobicContact CE2-CD1 4.22Å; Y209-L266 HydrophobicContact CE2-CG 4.09Å
210R97.6Very high96.8Very high66 Ų6638.1 Ų38.125%0.24918%0.182CC..Hα-helixtrans-67.4-35.8179.7-17357.2179.684.87.6112.8P177 D178 A181 K206 V207 I208 Q213 S214P177-R210 HydrophobicContact CB-CB 3.96Å; P177-R210 HydrophobicContact CB-CG 4.06Å; P177-R210 WeakPolarHBondContact O-CG 3.32Å; D178-R210 IonicContact OD1-CZ 2.99Å; D178-R210 IonicContact OD1-NE 2.69Å; D178-R210 PolarHBondContact OD1-NE 2.64Å; D178-R210 IonicContact OD1-NH2 2.76Å; D178-R210 PolarHBondContact OD1-NH2 2.9Å; A181-R210 HydrophobicContact CB-CG 4.04Å; K206-R210 VanDerWaalsContact O-CB 3.23Å; K206-R210 WeakPolarHBondContact O-CB 3.35Å; K206-R210 PolarHBondContact O-N 3.49Å; V207-R210 PolarHBondContact O-N 3.22Å; I208-R210 VanDerWaalsContact C-N 3.3Å; I208-R210 PolarHBondContact O-N 2.67Å; R210-Q213 PolarHBondContact O-N 3.03Å; R210-S214 WeakPolarHBondContact O-CB 3.38Å; R210-S214 PolarHBondContact O-N 3.24Å
211M97.8Very high96.8Very high3 Ų338.1 Ų38.12%0.01518%0.181CC..Hα-helixtrans-62.4-50.1172.5-172.664.3-116.500110.7A181 L184 V200 V207 I208 Y209 Q213 S214 D215 V218 T220A181-M211 HydrophobicContact CB-SD 4.28Å; L184-M211 HydrophobicContact CB-SD 3.95Å; L184-M211 HydrophobicContact CD1-SD 4.09Å; V200-M211 HydrophobicContact CB-CG 4.38Å; V200-M211 HydrophobicContact CG1-CG 4.26Å; V200-M211 HydrophobicContact CG2-CG 4.31Å; V200-M211 HydrophobicContact CG2-SD 4.5Å; V207-M211 WeakPolarHBondContact O-CB 3.18Å; V207-M211 PolarHBondContact O-N 2.84Å; I208-M211 PolarHBondContact O-N 3Å; Y209-M211 PolarHBondContact O-N 3.13Å; M211-Q213 VanDerWaalsContact C-N 3.29Å; M211-Q213 PolarHBondContact O-N 2.96Å; M211-S214 WeakPolarHBondContact O-CA 3.43Å; M211-S214 WeakPolarHBondContact O-CB 3.34Å; M211-S214 PolarHBondContact O-N 3.23Å; M211-D215 HydrophobicContact CE-CB 3.71Å; M211-D215 PolarHBondContact O-N 2.93Å; M211-V218 HydrophobicContact CE-CB 4.25Å; M211-V218 HydrophobicContact CE-CG1 4.4Å; M211-V218 HydrophobicContact CE-CG2 3.92Å; M211-V218 HydrophobicContact CG-CG1 4.08Å; M211-T220 HydrophobicContact CG-CG2 4.3Å
212R97.1Very high96.8Very high2 Ų238.1 Ų38.11%0.00818%0.181CC..Hα-helixtrans-62.4-34.4177.7-64.3-69.8-66.3154.49.1113F44 P45 I208 Y209 D215 P216 V218 T220 C267F44-R212 HydrophobicContact CB-CB 4.35Å; F44-R212 HydrophobicContact CD1-CB 4.09Å; F44-R212 HydrophobicContact CD2-CB 3.52Å; F44-R212 HydrophobicContact CD2-CG 4.36Å; F44-R212 HydrophobicContact CE1-CB 4.31Å; F44-R212 HydrophobicContact CE2-CB 3.75Å; F44-R212 HydrophobicContact CG-CB 3.7Å; F44-R212 HydrophobicContact CZ-CB 4.17Å; P45-R212 PolarHBondContact O-NH2 3.19Å; I208-R212 HydrophobicContact CG2-CG 4.46Å; I208-R212 VanDerWaalsContact O-CG 3.31Å; I208-R212 WeakPolarHBondContact O-CG 3.26Å; I208-R212 PolarHBondContact O-N 3.28Å; Y209-R212 PolarHBondContact O-N 2.86Å; R212-D215 CarbonylContact O-C 3.33Å; R212-P216 PolarHBondContact NH1-O 3.18Å; R212-P216 PolarHBondContact NH2-O 3.37Å; R212-P216 WeakPolarHBondContact O-CA 3.46Å; R212-V218 PolarHBondContact NH1-O 2.77Å; R212-T220 HydrophobicContact CG-CG2 3.95Å; R212-C267 WeakPolarHBondContact CG-O 3.41Å
213Q96.9Very high96.8Very high113 Ų11338.3 Ų38.353%0.52818%0.183SC..Hα-helixtrans-67-37.6172.9-169.9-178.61900112.2F44 Y209 R210 M211F44-Q213 HydrophobicContact CE2-CB 4.46Å; F44-Q213 VanDerWaalsContact CZ-CA 3.47Å; F44-Q213 HydrophobicContact CZ-CB 3.75Å; F44-Q213 HydrophobicContact CZ-CG 4.36Å; Y209-Q213 WeakPolarHBondContact O-CB 3.27Å; Y209-Q213 PolarHBondContact O-N 2.85Å; R210-Q213 PolarHBondContact O-N 3.03Å; M211-Q213 VanDerWaalsContact C-N 3.29Å; M211-Q213 PolarHBondContact O-N 2.96Å
214S96.9Very high96.8Very high19 Ų1934.5 Ų34.513%0.13317%0.166CC..Hα-helixtrans-72.3-41.6177.9-159.70000111.4A181 K185 R210 M211A181-S214 PolarHBondContact O-OG 3.22Å; K185-S214 WeakPolarHBondContact CD-OG 3.31Å; K185-S214 PolarHBondContact NZ-O 3.19Å; R210-S214 WeakPolarHBondContact O-CB 3.38Å; R210-S214 PolarHBondContact O-N 3.24Å; M211-S214 WeakPolarHBondContact O-CA 3.43Å; M211-S214 WeakPolarHBondContact O-CB 3.34Å; M211-S214 PolarHBondContact O-N 3.23Å
215D97Very high96.7Very high13 Ų1331.8 Ų31.87%0.0715%0.152CC..  trans-150103.4-176.8-161.5-47.2000111.4Y195 M211 R212 E217 V218Y195-D215 PolarHBondContact OH-OD2 2.85Å; M211-D215 HydrophobicContact CE-CB 3.71Å; M211-D215 PolarHBondContact O-N 2.93Å; R212-D215 CarbonylContact O-C 3.33Å; D215-E217 PolarHBondContact O-N 2.95Å; D215-E217 PolarHBondContact OD1-N 3.09Å; D215-V218 HydrophobicContact CB-CG2 3.87Å; D215-V218 PolarHBondContact O-N 3.33Å
216P95.4Very high96.7Very high69 Ų6931.2 Ų31.245%0.44815%0.149SC..THydrogen-bonded Turntrans-780.7-178.333.2-36.4000113.2R212R212-P216 PolarHBondContact NH1-O 3.18Å; R212-P216 PolarHBondContact NH2-O 3.37Å; R212-P216 WeakPolarHBondContact O-CA 3.46Å
217E95.7Very high96.6Very high116 Ų11630.1 Ų30.154%0.54214%0.141SC..THydrogen-bonded Turntrans-96.7-9.9175.2-63.4-158.897.400112.9L47 R51 Y195 D215L47-E217 WeakPolarHBondContact CD1-O 3.26Å; R51-E217 VanDerWaalsContact CZ-O 3.23Å; R51-E217 PolarHBondContact NH1-O 3.29Å; R51-E217 PolarHBondContact NH2-O 2.8Å; Y195-E217 HydrophobicContact CD1-CB 4.03Å; Y195-E217 HydrophobicContact CE1-CB 3.77Å; D215-E217 PolarHBondContact O-N 2.95Å; D215-E217 PolarHBondContact OD1-N 3.09Å
218V96.9Very high96.4Very high0 Ų030.9 Ų30.90%015%0.146CC..SBendtrans-74.6128.9178.2170.90000111.4L47 Y188 Y195 V200 M211 R212 D215 T220L47-V218 WeakPolarHBondContact CD1-O 3.45Å; Y188-V218 HydrophobicContact CD1-CG2 3.8Å; Y188-V218 HydrophobicContact CD2-CG2 3.96Å; Y188-V218 HydrophobicContact CE1-CG1 4.33Å; Y188-V218 HydrophobicContact CE1-CG2 3.74Å; Y188-V218 HydrophobicContact CE2-CG1 4.06Å; Y188-V218 HydrophobicContact CE2-CG2 3.89Å; Y188-V218 HydrophobicContact CG-CG2 3.92Å; Y195-V218 HydrophobicContact CD1-CG2 4.35Å; Y195-V218 HydrophobicContact CE1-CG2 3.88Å; V200-V218 HydrophobicContact CB-CG1 4.34Å; V200-V218 HydrophobicContact CG2-CG1 3.67Å; M211-V218 HydrophobicContact CE-CB 4.25Å; M211-V218 HydrophobicContact CE-CG1 4.4Å; M211-V218 HydrophobicContact CE-CG2 3.92Å; M211-V218 HydrophobicContact CG-CG1 4.08Å; R212-V218 PolarHBondContact NH1-O 2.77Å; D215-V218 HydrophobicContact CB-CG2 3.87Å; D215-V218 PolarHBondContact O-N 3.33Å; V218-T220 HydrophobicContact CG1-CG2 4.3Å
219L97.7Very high96.2Very high1 Ų134 Ų341%0.00516%0.163CC..  trans-66.7132.5170.9-71.9171.7000109.1L47 A52 V55 I199 V200 S270L47-L219 HydrophobicContact CB-CD2 4.05Å; L47-L219 HydrophobicContact CD1-CD2 3.62Å; L47-L219 HydrophobicContact CD1-CG 4.08Å; L47-L219 HydrophobicContact CG-CD2 4.49Å; A52-L219 HydrophobicContact CB-CD2 4.05Å; V55-L219 HydrophobicContact CB-CD1 3.6Å; V55-L219 HydrophobicContact CG1-CD1 3.87Å; V55-L219 HydrophobicContact CG2-CD1 3.45Å; V55-L219 VanDerWaalsContact CG2-CD1 3.45Å; I199-L219 HydrophobicContact CB-CB 4.34Å; I199-L219 HydrophobicContact CD1-CB 4.43Å; I199-L219 HydrophobicContact CG1-CB 4.08Å; V200-L219 PolarHBondContact N-O 3.43Å; L219-S270 VanDerWaalsContact CD2-OG 3.23Å; L219-S270 WeakPolarHBondContact CD2-OG 3.45Å
220T98.1Very high96.1Very high0 Ų031.5 Ų31.50%015%0.153CC..EExtended strand (participates in β ladder)trans-130.4154.8178.960.20000112.3V200 I208 M211 R212 V218 S270 A271V200-T220 HydrophobicContact CB-CG2 4.39Å; V200-T220 CarbonylContact O-C 3.08Å; V200-T220 WeakPolarHBondContact O-CA 3.31Å; I208-T220 HydrophobicContact CG2-CG2 4.06Å; M211-T220 HydrophobicContact CG-CG2 4.3Å; R212-T220 HydrophobicContact CG-CG2 3.95Å; V218-T220 HydrophobicContact CG1-CG2 4.3Å; T220-S270 PolarHBondContact O-N 2.97Å; T220-A271 PolarHBondContact O-N 2.79Å
221A98Very high95.9Very high0 Ų029.4 Ų29.40%015%0.148CC..EExtended strand (participates in β ladder)trans-135148.7173.800000111.9I199 V200 C201 I208 A271 L273I199-A221 HydrophobicContact CD1-CB 3.76Å; I199-A221 HydrophobicContact CG1-CB 4.22Å; V200-A221 PolarHBondContact O-N 3.06Å; C201-A221 WeakPolarHBondContact CA-O 3.33Å; C201-A221 HydrophobicContact CB-CB 4.11Å; I208-A221 VanDerWaalsContact CD1-O 3.24Å; I208-A221 WeakPolarHBondContact CD1-O 3.37Å; I208-A221 WeakPolarHBondContact CG1-O 3.43Å; A221-A271 WeakPolarHBondContact CA-O 3.14Å; A221-A271 HydrophobicContact CB-CB 4.03Å; A221-A271 WeakPolarHBondContact CB-O 3.36Å; A221-L273 HydrophobicContact CB-CD1 3.56Å
222L97.6Very high95.5Very high0 Ų032.7 Ų32.70%017%0.165CC..EExtended strand (participates in β ladder)trans-93.5127.7166.9-74168.6000108.8P205 I208 L263 I269 A271 F272 L273P205-L222 HydrophobicContact CB-CD2 4.07Å; P205-L222 HydrophobicContact CG-CD2 4.09Å; I208-L222 HydrophobicContact CB-CD2 4.31Å; I208-L222 HydrophobicContact CG1-CD2 3.9Å; L222-L263 HydrophobicContact CD1-CB 3.97Å; L222-I269 HydrophobicContact CB-CD1 4Å; L222-I269 HydrophobicContact CD1-CD1 3.9Å; L222-I269 HydrophobicContact CD1-CG2 4.2Å; L222-I269 HydrophobicContact CG-CD1 4.03Å; L222-I269 HydrophobicContact CG-CG2 3.88Å; L222-A271 PolarHBondContact N-O 2.87Å; L222-F272 HydrophobicContact CB-CD1 4.01Å; L222-F272 HydrophobicContact CB-CE1 3.77Å; L222-F272 HydrophobicContact CD1-CE1 4.27Å; L222-F272 HydrophobicContact CD1-CZ 4.49Å; L222-F272 WeakPolarHBondContact O-CA 3.42Å; L222-F272 WeakPolarHBondContact O-CD1 3.5Å; L222-L273 PolarHBondContact O-N 3.17Å
223T96.8Very high94.8Very high5 Ų533.2 Ų33.23%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-90.1128.8170.3-47.30000108.3S202 F203 L273 W297S202-T223 PolarHBondContact N-OG1 3.48Å; S202-T223 PolarHBondContact O-N 3.32Å; F203-T223 WeakPolarHBondContact CA-O 3.48Å; F203-T223 HydrophobicContact CD1-CG2 4.06Å; F203-T223 HydrophobicContact CD2-CG2 3.85Å; F203-T223 HydrophobicContact CE1-CG2 3.67Å; F203-T223 HydrophobicContact CE2-CG2 3.42Å; F203-T223 VanDerWaalsContact CE2-CG2 3.42Å; F203-T223 HydrophobicContact CG-CG2 4.16Å; F203-T223 HydrophobicContact CZ-CG2 3.33Å; T223-L273 CarbonylContact C-O 3.58Å; T223-L273 VanDerWaalsContact CA-O 3.27Å; T223-L273 WeakPolarHBondContact CA-O 3.44Å; T223-L273 HydrophobicContact CG2-CB 3.91Å; T223-W297 HydrophobicContact CG2-CZ2 3.96Å
224H95.4Very high94.1Very high4 Ų432.6 Ų32.62%0.01917%0.172CC..EExtended strand (participates in β ladder)trans-137.1138-176.7-175.551.2000111.8D256 H259 L273 I274 Q275 W297H224-D256 IonicContact CD2-OD1 2.79Å; H224-D256 IonicContact CE1-OD1 3.57Å; H224-D256 IonicContact NE2-OD1 2.75Å; H224-D256 PolarHBondContact NE2-OD1 2.88Å; H224-H259 AromaticContact ND1-CE1 3.87Å; H224-H259 AromaticContact ND1-ND1 3.88Å; H224-L273 PolarHBondContact N-O 3.33Å; H224-I274 HydrophobicContact CB-CD1 3.86Å; H224-Q275 PolarHBondContact O-N 3.28Å; H224-W297 WeakPolarHBondContact O-CZ2 3.43Å
225R94.5Very high93.7Very high27 Ų2734 Ų3410%0.10219%0.189CC..  trans-131.6116.6169.3-174-17678.7-161.35.6107.5F203 S228 C231 Q275 W297F203-R225 HydrophobicContact CE1-CB 4.13Å; R225-S228 WeakPolarHBondContact O-CB 3.47Å; R225-S228 PolarHBondContact O-N 3.24Å; R225-S228 PolarHBondContact O-OG 3.49Å; R225-C231 PolarHBondContact NH2-O 3Å; R225-Q275 HydrophobicContact CG-CB 4.17Å; R225-Q275 HydrophobicContact CG-CG 4.36Å; R225-W297 HydrophobicContact CB-CH2 3.84Å; R225-W297 HydrophobicContact CB-CZ2 3.98Å; R225-W297 HydrophobicContact CG-CH2 4.21Å
226P93.5Very high93.5Very high19 Ų1936.1 Ų36.112%0.12320%0.202CC..THydrogen-bonded Turntrans-53.4144.8171.3-26.936.3000111S228 V278P226-S228 PolarHBondContact O-N 2.92Å; P226-V278 HydrophobicContact CG-CG1 3.87Å; P226-V278 HydrophobicContact CG-CG2 4.3Å
227W94.6Very high93.4Very high117 Ų11736.5 Ų36.544%0.44321%0.205SC..THydrogen-bonded Turntrans63.918.5178.5-44.4105.3000114.9L229 S230 C231 M249 D252 I253W227-L229 VanDerWaalsContact C-N 3.3Å; W227-L229 PolarHBondContact O-N 3.25Å; W227-S230 PolarHBondContact O-N 3.02Å; W227-C231 HydrophobicContact CB-CB 4.42Å; W227-C231 WeakPolarHBondContact O-CA 3.44Å; W227-C231 WeakPolarHBondContact O-CB 3.45Å; W227-C231 PolarHBondContact O-N 3.44Å; W227-M249 HydrophobicContact CZ3-CB 4.19Å; W227-M249 HydrophobicContact CZ3-CE 4.16Å; W227-M249 HydrophobicContact CZ3-CG 4.47Å; W227-D252 VanDerWaalsContact C-OD1 3.29Å; W227-D252 WeakPolarHBondContact CA-OD1 3.13Å; W227-D252 WeakPolarHBondContact CA-OD2 3.25Å; W227-D252 HydrophobicContact CE3-CB 3.84Å; W227-D252 HydrophobicContact CZ3-CB 4.27Å; W227-I253 HydrophobicContact CH2-CD1 4.29Å; W227-I253 HydrophobicContact CH2-CG1 3.93Å; W227-I253 HydrophobicContact CZ3-CG1 4.08Å
228S92.9Very high93.3Very high20 Ų2036.6 Ų36.614%0.1420%0.201CC..THydrogen-bonded Turntrans-69.4-24.8-175.953.30000114.3R225 P226 R238 D252R225-S228 WeakPolarHBondContact O-CB 3.47Å; R225-S228 PolarHBondContact O-N 3.24Å; R225-S228 PolarHBondContact O-OG 3.49Å; P226-S228 PolarHBondContact O-N 2.92Å; S228-R238 PolarHBondContact O-NE 3.14Å; S228-R238 PolarHBondContact O-NH2 3.42Å; S228-D252 PolarHBondContact N-OD1 3.22Å; S228-D252 VanDerWaalsContact N-OD1 3.1Å
229L93.8Very high93.2Very high67 Ų6740 Ų4035%0.35122%0.215SC..THydrogen-bonded Turntrans-81-34177.2-57.2179.1000112.3W227 R238 F239 M251 D252 L255W227-L229 VanDerWaalsContact C-N 3.3Å; W227-L229 PolarHBondContact O-N 3.25Å; L229-R238 WeakPolarHBondContact O-CD 3.27Å; L229-F239 WeakPolarHBondContact O-CE2 3.42Å; L229-M251 HydrophobicContact CD1-CB 3.75Å; L229-D252 VanDerWaalsContact CB-OD1 3.29Å; L229-D252 WeakPolarHBondContact CB-OD1 3.48Å; L229-D252 WeakPolarHBondContact CG-OD1 3.36Å; L229-D252 PolarHBondContact N-OD1 2.83Å; L229-L255 HydrophobicContact CD1-CB 4.49Å; L229-L255 HydrophobicContact CD1-CD2 3.95Å; L229-L255 HydrophobicContact CD2-CD2 4.45Å; L229-L255 HydrophobicContact CG-CD2 4.1Å
230S94.8Very high92.9Very high0 Ų046 Ų460%026%0.258CS..THydrogen-bonded Turntrans-92.9-29.8-178.655.40000113.9W227 R238 D252W227-S230 PolarHBondContact O-N 3.02Å; S230-R238 PolarHBondContact O-N 2.93Å; S230-D252 WeakPolarHBondContact CB-OD2 3.36Å; S230-D252 PolarHBondContact N-OD2 3.42Å; S230-D252 PolarHBondContact OG-OD2 3.4Å
231C93.4Very high92.8Very high23 Ų2348.2 Ų48.216%0.15527%0.273CS..BIsolated β-bridgetrans-128.4150-173-62.40000113.4R225 W227 T236 R238R225-C231 PolarHBondContact NH2-O 3Å; W227-C231 HydrophobicContact CB-CB 4.42Å; W227-C231 WeakPolarHBondContact O-CA 3.44Å; W227-C231 WeakPolarHBondContact O-CB 3.45Å; W227-C231 PolarHBondContact O-N 3.44Å; C231-T236 CarbonylContact C-O 3.6Å; C231-T236 WeakPolarHBondContact CA-O 3.13Å; C231-R238 PolarHBondContact O-NE 3.41Å
232L89.6Confident92.6Very high71 Ų7154.4 Ų54.437%0.37231%0.305SS..  trans-73.5173.5166.5-63.8-179.1000110.7D234 G235 T236 R238L232-D234 WeakPolarHBondContact CB-OD1 3.36Å; L232-D234 PolarHBondContact O-N 2.76Å; L232-G235 PolarHBondContact O-N 3.18Å; L232-T236 WeakPolarHBondContact CB-OG1 3.19Å; L232-T236 VanDerWaalsContact CD1-OG1 3.29Å; L232-T236 WeakPolarHBondContact CD1-OG1 3.5Å; L232-T236 PolarHBondContact N-O 2.96Å; L232-R238 HydrophobicContact CD2-CG 3.79Å; L232-R238 VanDerWaalsContact CD2-NH1 3.31Å; L232-R238 HydrophobicContact CG-CG 3.98Å
233G81.1Confident92.5Very high14 Ų1463.7 Ų63.714%0.14434%0.341CS..THydrogen-bonded Turntrans-63.5-27.9-175.400000114.3G235 Y329G233-G235 VanDerWaalsContact C-N 3.28Å; G233-Y329 VanDerWaalsContact C-CE1 3.43Å; G233-Y329 WeakPolarHBondContact O-CE1 3.35Å
234D83.6Confident92.4Very high100 Ų10068 Ų6854%0.53536%0.36SS..THydrogen-bonded Turntrans-84.5217565.2-4.4000113.5L232 T236L232-D234 WeakPolarHBondContact CB-OD1 3.36Å; L232-D234 PolarHBondContact O-N 2.76Å; D234-T236 VanDerWaalsContact C-N 3.34Å; D234-T236 WeakPolarHBondContact OD1-CB 3.47Å; D234-T236 WeakPolarHBondContact OD1-CG2 3.09Å; D234-T236 PolarHBondContact OD1-N 3.11Å; D234-T236 PolarHBondContact OD1-OG1 3.11Å; D234-T236 WeakPolarHBondContact OD2-CG2 3.39Å; D234-T236 PolarHBondContact OD2-OG1 3.48Å
235G87.2Confident92.4Very high47 Ų4769.3 Ų69.349%0.48537%0.366SS..SBendtrans84.8-0.1-177.800000114.7L232 G233L232-G235 PolarHBondContact O-N 3.18Å; G233-G235 VanDerWaalsContact C-N 3.28Å
236T92.6Very high92.4Very high58 Ų5873.2 Ų73.236%0.35639%0.385SS..  trans-67.8136.5176.956.50000111.1C231 L232 D234 R238C231-T236 CarbonylContact C-O 3.6Å; C231-T236 WeakPolarHBondContact CA-O 3.13Å; L232-T236 WeakPolarHBondContact CB-OG1 3.19Å; L232-T236 VanDerWaalsContact CD1-OG1 3.29Å; L232-T236 WeakPolarHBondContact CD1-OG1 3.5Å; L232-T236 PolarHBondContact N-O 2.96Å; D234-T236 VanDerWaalsContact C-N 3.34Å; D234-T236 WeakPolarHBondContact OD1-CB 3.47Å; D234-T236 WeakPolarHBondContact OD1-CG2 3.09Å; D234-T236 PolarHBondContact OD1-N 3.11Å; D234-T236 PolarHBondContact OD1-OG1 3.11Å; D234-T236 WeakPolarHBondContact OD2-CG2 3.39Å; D234-T236 PolarHBondContact OD2-OG1 3.48Å; T236-R238 PolarHBondContact O-N 3.49Å
237P94.3Very high92.5Very high78 Ų7878.7 Ų78.751%0.50640%0.404SS..BIsolated β-bridgetrans-60.4133177-26.835.9000112.2F239P237-F239 VanDerWaalsContact C-N 3.27Å; P237-F239 PolarHBondContact O-N 2.96Å
238R93.5Very high92.6Very high118 Ų11875.7 Ų75.745%0.44540%0.395SS..SBendtrans-69.8-24.6175.8-73.4-178.7-179.8-87.87.4113.5S228 L229 S230 C231 L232 T236S228-R238 PolarHBondContact O-NE 3.14Å; S228-R238 PolarHBondContact O-NH2 3.42Å; L229-R238 WeakPolarHBondContact O-CD 3.27Å; S230-R238 PolarHBondContact O-N 2.93Å; C231-R238 PolarHBondContact O-NE 3.41Å; L232-R238 HydrophobicContact CD2-CG 3.79Å; L232-R238 VanDerWaalsContact CD2-NH1 3.31Å; L232-R238 HydrophobicContact CG-CG 3.98Å; T236-R238 PolarHBondContact O-N 3.49Å
239F93.9Very high92.8Very high70 Ų7077.7 Ų77.731%0.30740%0.403SS..  trans-123.7129.7-174.2-56.3-83.7000109.9L229 P237 S241 Q244 M248L229-F239 WeakPolarHBondContact O-CE2 3.42Å; P237-F239 VanDerWaalsContact C-N 3.27Å; P237-F239 PolarHBondContact O-N 2.96Å; F239-S241 VanDerWaalsContact C-N 3.31Å; F239-Q244 HydrophobicContact CB-CB 4.02Å; F239-Q244 HydrophobicContact CD1-CB 4.36Å; F239-Q244 HydrophobicContact CG-CB 4.16Å; F239-M248 HydrophobicContact CD2-CB 4.49Å; F239-M248 HydrophobicContact CD2-CG 4.01Å; F239-M248 HydrophobicContact CE2-CB 4.29Å; F239-M248 HydrophobicContact CE2-CG 3.59Å; F239-M248 HydrophobicContact CE2-SD 4.48Å; F239-M248 HydrophobicContact CZ-CG 4.27Å
240S91.6Very high92.9Very high128 Ų12879.2 Ų79.290%0.89541%0.41SS*.SBendtrans-74.1-24.1173.654.10000112.7L242S240-L242 PolarHBondContact O-N 3.29Å
241S95.9Very high93Very high46 Ų4681.6 Ų81.632%0.32242%0.422SS..  trans-74119.8175.7172.80000110.9F239 W243 Q244 H245F239-S241 VanDerWaalsContact C-N 3.31Å; S241-W243 VanDerWaalsContact C-N 3.28Å; S241-W243 PolarHBondContact O-N 2.98Å; S241-Q244 PolarHBondContact O-N 3.47Å; S241-Q244 PolarHBondContact OG-N 3.27Å; S241-H245 WeakPolarHBondContact O-CB 3.42Å; S241-H245 PolarHBondContact O-N 3.36Å
242L93.7Very high93.1Very high130 Ų13080.8 Ų80.868%0.68142%0.415SS*.Hα-helixtrans-56.2-42.8177.3-68.9176.1000111.8S240 H245 H246S240-L242 PolarHBondContact O-N 3.29Å; L242-H245 PolarHBondContact O-N 2.97Å; L242-H246 PolarHBondContact O-N 3.09Å; L242-H246 PolarHBondContact O-ND1 3.22Å
243W95.1Very high93.4Very high196 Ų19681.5 Ų81.574%0.74242%0.419SS*.Hα-helixtrans-61.6-48.2178.7174.6-105.8000112S241 H245 H246 W247S241-W243 VanDerWaalsContact C-N 3.28Å; S241-W243 PolarHBondContact O-N 2.98Å; W243-H245 VanDerWaalsContact C-N 3.33Å; W243-H245 PolarHBondContact O-N 3.19Å; W243-H246 PolarHBondContact O-N 2.83Å; W243-W247 WeakPolarHBondContact O-CB 3.24Å; W243-W247 PolarHBondContact O-N 3.42Å
244Q94.6Very high94.1Very high95 Ų9585.2 Ų85.244%0.44444%0.435SS..Hα-helixtrans-63.6-41178.5-69.1176.1-14.700111.3F239 S241 W247 M248F239-Q244 HydrophobicContact CB-CB 4.02Å; F239-Q244 HydrophobicContact CD1-CB 4.36Å; F239-Q244 HydrophobicContact CG-CB 4.16Å; S241-Q244 PolarHBondContact O-N 3.47Å; S241-Q244 PolarHBondContact OG-N 3.27Å; Q244-W247 PolarHBondContact O-N 3.34Å; Q244-M248 VanDerWaalsContact O-CG 3.27Å; Q244-M248 WeakPolarHBondContact O-CG 3.36Å; Q244-M248 PolarHBondContact O-N 2.85Å
245H95.4Very high94.6Very high32 Ų3282.7 Ų82.715%0.14842%0.421CS..Hα-helixtrans-62-50.5178.6-177.969.1000112.1S241 L242 W243 W247 M248 M249S241-H245 WeakPolarHBondContact O-CB 3.42Å; S241-H245 PolarHBondContact O-N 3.36Å; L242-H245 PolarHBondContact O-N 2.97Å; W243-H245 VanDerWaalsContact C-N 3.33Å; W243-H245 PolarHBondContact O-N 3.19Å; H245-W247 VanDerWaalsContact C-N 3.31Å; H245-W247 PolarHBondContact O-N 3.08Å; H245-M248 PolarHBondContact O-N 2.88Å; H245-M248 VanDerWaalsContact O-N 3.12Å; H245-M249 WeakPolarHBondContact O-CG 3.44Å; H245-M249 PolarHBondContact O-N 2.9Å
246H95.4Very high94.9Very high108 Ų10883 Ų8350%0.541%0.412SS..Hα-helixtrans-63-38.2178.4-72.283.4000112.1L242 W243 M248 M249 M250L242-H246 PolarHBondContact O-N 3.09Å; L242-H246 PolarHBondContact O-ND1 3.22Å; W243-H246 PolarHBondContact O-N 2.83Å; H246-M248 VanDerWaalsContact C-N 3.35Å; H246-M249 PolarHBondContact O-N 2.99Å; H246-M250 PolarHBondContact O-N 3.47Å; H246-M250 VanDerWaalsContact O-N 3.08Å
247W96.4Very high95Very high135 Ų13585 Ų8551%0.51141%0.413SS..Hα-helixtrans-60.7-44.9173.5-179.3-103.5000111.6W243 Q244 H245 M249 M250 M251W243-W247 WeakPolarHBondContact O-CB 3.24Å; W243-W247 PolarHBondContact O-N 3.42Å; Q244-W247 PolarHBondContact O-N 3.34Å; H245-W247 VanDerWaalsContact C-N 3.31Å; H245-W247 PolarHBondContact O-N 3.08Å; W247-M249 PolarHBondContact O-N 3.38Å; W247-M250 WeakPolarHBondContact O-CB 3.26Å; W247-M250 PolarHBondContact O-N 3.03Å; W247-M251 HydrophobicContact CD2-CE 4.43Å; W247-M251 HydrophobicContact CH2-CE 3.96Å; W247-M251 HydrophobicContact CZ2-CE 3.69Å; W247-M251 HydrophobicContact CZ2-SD 4.17Å; W247-M251 HydrophobicContact CZ3-CE 4.43Å; W247-M251 WeakPolarHBondContact O-CG 3.26Å; W247-M251 PolarHBondContact O-N 3.38Å
248M96.8Very high95Very high53 Ų5382.1 Ų82.126%0.26140%0.396SS..Hα-helixtrans-68.3-33178.2-68.1-64.7160.100112.8F239 Q244 H245 H246 M250 M251 D252F239-M248 HydrophobicContact CD2-CB 4.49Å; F239-M248 HydrophobicContact CD2-CG 4.01Å; F239-M248 HydrophobicContact CE2-CB 4.29Å; F239-M248 HydrophobicContact CE2-CG 3.59Å; F239-M248 HydrophobicContact CE2-SD 4.48Å; F239-M248 HydrophobicContact CZ-CG 4.27Å; Q244-M248 VanDerWaalsContact O-CG 3.27Å; Q244-M248 WeakPolarHBondContact O-CG 3.36Å; Q244-M248 PolarHBondContact O-N 2.85Å; H245-M248 PolarHBondContact O-N 2.88Å; H245-M248 VanDerWaalsContact O-N 3.12Å; H246-M248 VanDerWaalsContact C-N 3.35Å; M248-M250 VanDerWaalsContact C-N 3.33Å; M248-M250 PolarHBondContact O-N 2.94Å; M248-M251 CarbonylContact O-C 3.55Å; M248-M251 WeakPolarHBondContact O-CB 3.24Å; M248-M251 PolarHBondContact O-N 2.81Å; M248-M251 VanDerWaalsContact O-N 3.14Å; M248-M251 HydrophobicContact SD-CG 4.49Å; M248-D252 PolarHBondContact O-N 3.5Å
249M96.1Very high95Very high62 Ų6276.7 Ų76.731%0.30538%0.376SS..Hα-helixtrans-61.6-42171-70.3177.971.300111.8W227 H245 H246 W247 M251 D252 I253W227-M249 HydrophobicContact CZ3-CB 4.19Å; W227-M249 HydrophobicContact CZ3-CE 4.16Å; W227-M249 HydrophobicContact CZ3-CG 4.47Å; H245-M249 WeakPolarHBondContact O-CG 3.44Å; H245-M249 PolarHBondContact O-N 2.9Å; H246-M249 PolarHBondContact O-N 2.99Å; W247-M249 PolarHBondContact O-N 3.38Å; M249-M251 VanDerWaalsContact C-N 3.29Å; M249-M251 PolarHBondContact O-N 3.13Å; M249-D252 WeakPolarHBondContact O-CB 3.42Å; M249-D252 PolarHBondContact O-N 3.36Å; M249-I253 WeakPolarHBondContact O-CG1 3.47Å; M249-I253 PolarHBondContact O-N 3.39Å; M249-I253 VanDerWaalsContact O-N 3.09Å
250M96.5Very high94.9Very high100 Ų10074.5 Ų74.549%0.49337%0.366SS..Hα-helixtrans-61.8-40173.2-72.8-59.9-55.500111.3H246 W247 M248 D252 I253 L254H246-M250 PolarHBondContact O-N 3.47Å; H246-M250 VanDerWaalsContact O-N 3.08Å; W247-M250 WeakPolarHBondContact O-CB 3.26Å; W247-M250 PolarHBondContact O-N 3.03Å; M248-M250 VanDerWaalsContact C-N 3.33Å; M248-M250 PolarHBondContact O-N 2.94Å; M250-D252 VanDerWaalsContact C-N 3.35Å; M250-I253 PolarHBondContact O-N 3.2Å; M250-I253 HydrophobicContact SD-CD1 4.34Å; M250-L254 WeakPolarHBondContact O-CG 3.44Å; M250-L254 PolarHBondContact O-N 3.4Å; M250-L254 VanDerWaalsContact O-N 3.09Å
251M96.4Very high94.8Very high50 Ų5071.5 Ų71.525%0.24634%0.338CS..Hα-helixtrans-65.3-36.7175.1-63.9-57.698.400112.2L229 W247 M248 M249 L254 L255L229-M251 HydrophobicContact CD1-CB 3.75Å; W247-M251 HydrophobicContact CD2-CE 4.43Å; W247-M251 HydrophobicContact CH2-CE 3.96Å; W247-M251 HydrophobicContact CZ2-CE 3.69Å; W247-M251 HydrophobicContact CZ2-SD 4.17Å; W247-M251 HydrophobicContact CZ3-CE 4.43Å; W247-M251 WeakPolarHBondContact O-CG 3.26Å; W247-M251 PolarHBondContact O-N 3.38Å; M248-M251 CarbonylContact O-C 3.55Å; M248-M251 WeakPolarHBondContact O-CB 3.24Å; M248-M251 PolarHBondContact O-N 2.81Å; M248-M251 VanDerWaalsContact O-N 3.14Å; M248-M251 HydrophobicContact SD-CG 4.49Å; M249-M251 VanDerWaalsContact C-N 3.29Å; M249-M251 PolarHBondContact O-N 3.13Å; M251-L254 HydrophobicContact CE-CD1 3.57Å; M251-L254 PolarHBondContact O-N 2.91Å; M251-L254 HydrophobicContact SD-CD1 4.31Å; M251-L255 VanDerWaalsContact O-CB 3.24Å; M251-L255 WeakPolarHBondContact O-CB 3.3Å; M251-L255 PolarHBondContact O-N 2.97Å
252D95.8Very high94.6Very high5 Ų571.7 Ų71.73%0.02734%0.335CS..Hα-helixtrans-61.6-43.1174.3-81.2-53.8000112W227 S228 L229 S230 M248 M249 M250 L255 D256W227-D252 VanDerWaalsContact C-OD1 3.29Å; W227-D252 WeakPolarHBondContact CA-OD1 3.13Å; W227-D252 WeakPolarHBondContact CA-OD2 3.25Å; W227-D252 HydrophobicContact CE3-CB 3.84Å; W227-D252 HydrophobicContact CZ3-CB 4.27Å; S228-D252 PolarHBondContact N-OD1 3.22Å; S228-D252 VanDerWaalsContact N-OD1 3.1Å; L229-D252 VanDerWaalsContact CB-OD1 3.29Å; L229-D252 WeakPolarHBondContact CB-OD1 3.48Å; L229-D252 WeakPolarHBondContact CG-OD1 3.36Å; L229-D252 PolarHBondContact N-OD1 2.83Å; S230-D252 WeakPolarHBondContact CB-OD2 3.36Å; S230-D252 PolarHBondContact N-OD2 3.42Å; S230-D252 PolarHBondContact OG-OD2 3.4Å; M248-D252 PolarHBondContact O-N 3.5Å; M249-D252 WeakPolarHBondContact O-CB 3.42Å; M249-D252 PolarHBondContact O-N 3.36Å; M250-D252 VanDerWaalsContact C-N 3.35Å; D252-L255 PolarHBondContact O-N 3.24Å; D252-D256 WeakPolarHBondContact O-CB 3.4Å; D252-D256 PolarHBondContact O-N 2.78Å
253I95.7Very high94.7Very high86 Ų8666.7 Ų66.744%0.44131%0.309SS..Hα-helixtrans-61.7-45.7176.1-65.7166.8000110.5W227 M249 M250 L255 D256 W257W227-I253 HydrophobicContact CH2-CD1 4.29Å; W227-I253 HydrophobicContact CH2-CG1 3.93Å; W227-I253 HydrophobicContact CZ3-CG1 4.08Å; M249-I253 WeakPolarHBondContact O-CG1 3.47Å; M249-I253 PolarHBondContact O-N 3.39Å; M249-I253 VanDerWaalsContact O-N 3.09Å; M250-I253 PolarHBondContact O-N 3.2Å; M250-I253 HydrophobicContact SD-CD1 4.34Å; I253-L255 VanDerWaalsContact C-N 3.33Å; I253-L255 PolarHBondContact O-N 2.85Å; I253-D256 PolarHBondContact O-N 2.96Å; I253-W257 WeakPolarHBondContact O-CB 3.42Å; I253-W257 PolarHBondContact O-N 3.27Å
254L94.9Very high94.6Very high93 Ų9357.5 Ų57.549%0.48727%0.274SS..Hα-helixtrans-64.7-38.7177.4-69.3178.1000112M250 M251 A258M250-L254 WeakPolarHBondContact O-CG 3.44Å; M250-L254 PolarHBondContact O-N 3.4Å; M250-L254 VanDerWaalsContact O-N 3.09Å; M251-L254 HydrophobicContact CE-CD1 3.57Å; M251-L254 PolarHBondContact O-N 2.91Å; M251-L254 HydrophobicContact SD-CD1 4.31Å; L254-A258 VanDerWaalsContact O-CB 3.26Å; L254-A258 WeakPolarHBondContact O-CB 3.23Å; L254-A258 PolarHBondContact O-N 3.25Å
255L94.5Very high94.5Very high46 Ų4654.2 Ų54.224%0.24126%0.258CS..Hα-helixtrans-67.1-46.1178.5-176.162.4000110.9L229 M251 D252 I253 A258 H259L229-L255 HydrophobicContact CD1-CB 4.49Å; L229-L255 HydrophobicContact CD1-CD2 3.95Å; L229-L255 HydrophobicContact CD2-CD2 4.45Å; L229-L255 HydrophobicContact CG-CD2 4.1Å; M251-L255 VanDerWaalsContact O-CB 3.24Å; M251-L255 WeakPolarHBondContact O-CB 3.3Å; M251-L255 PolarHBondContact O-N 2.97Å; D252-L255 PolarHBondContact O-N 3.24Å; I253-L255 VanDerWaalsContact C-N 3.33Å; I253-L255 PolarHBondContact O-N 2.85Å; L255-A258 PolarHBondContact O-N 3.32Å; L255-H259 WeakPolarHBondContact CD1-CE1 3.32Å; L255-H259 PolarHBondContact O-N 2.76Å; L255-H259 PolarHBondContact O-ND1 2.93Å
256D94.8Very high94.4Very high55 Ų5554.3 Ų54.329%0.29426%0.259SS..Hα-helixtrans-59.3-47.7176.1-173.177.5000111.1H224 D252 I253 A258 H259 H260H224-D256 IonicContact CD2-OD1 2.79Å; H224-D256 IonicContact CE1-OD1 3.57Å; H224-D256 IonicContact NE2-OD1 2.75Å; H224-D256 PolarHBondContact NE2-OD1 2.88Å; D252-D256 WeakPolarHBondContact O-CB 3.4Å; D252-D256 PolarHBondContact O-N 2.78Å; I253-D256 PolarHBondContact O-N 2.96Å; D256-A258 VanDerWaalsContact C-N 3.33Å; D256-A258 PolarHBondContact O-N 2.96Å; D256-H259 PolarHBondContact O-N 3.11Å; D256-H260 PolarHBondContact O-N 3.35Å; D256-H260 VanDerWaalsContact O-N 3.11Å; D256-H260 PolarHBondContact O-ND1 3.46Å; D256-H260 IonicContact OD1-CE1 2.82Å; D256-H260 PolarHBondContact OD1-CE1 2.66Å; D256-H260 VanDerWaalsContact OD1-CE1 3.3Å; D256-H260 IonicContact OD1-ND1 3.35Å; D256-H260 IonicContact OD2-CE1 3.34Å; D256-H260 IonicContact OD2-ND1 2.73Å
257W94Very high94.4Very high98 Ų9849.2 Ų49.237%0.37124%0.236SC..Hα-helixtrans-57.8-45.5173.5178.590.2000111.9L10 I253 H259 H260 H261L10-W257 HydrophobicContact CD1-CH2 3.62Å; L10-W257 HydrophobicContact CD1-CZ2 3.28Å; I253-W257 WeakPolarHBondContact O-CB 3.42Å; I253-W257 PolarHBondContact O-N 3.27Å; W257-H259 VanDerWaalsContact C-N 3.32Å; W257-H259 PolarHBondContact O-N 3.41Å; W257-H260 PolarHBondContact O-N 2.72Å; W257-H261 AromaticContact CD1-CD2 3.27Å; W257-H261 AromaticContact CD1-NE2 3.76Å; W257-H261 AromaticContact CE2-CD2 3.92Å; W257-H261 AromaticContact CG-CD2 3.76Å; W257-H261 HydrophobicContact CZ2-CB 4.42Å; W257-H261 AromaticContact NE1-CD2 3.36Å; W257-H261 PolarHBondContact NE1-CD2 2.73Å; W257-H261 AromaticContact NE1-CG 3.95Å; W257-H261 AromaticContact NE1-NE2 3.91Å; W257-H261 WeakPolarHBondContact O-CB 3.34Å; W257-H261 PolarHBondContact O-CD2 2.94Å; W257-H261 VanDerWaalsContact O-CD2 3.24Å; W257-H261 PolarHBondContact O-N 2.88Å
258A93.7Very high94.3Very high19 Ų1942.9 Ų42.916%0.15721%0.213CC..Hα-helixtrans-61.8-40.6179.400000111.5L254 L255 D256 L262 L263L254-A258 VanDerWaalsContact O-CB 3.26Å; L254-A258 WeakPolarHBondContact O-CB 3.23Å; L254-A258 PolarHBondContact O-N 3.25Å; L255-A258 PolarHBondContact O-N 3.32Å; D256-A258 VanDerWaalsContact C-N 3.33Å; D256-A258 PolarHBondContact O-N 2.96Å; A258-L262 CarbonylContact O-C 3.57Å; A258-L262 WeakPolarHBondContact O-CA 3.11Å; A258-L262 PolarHBondContact O-N 2.86Å; A258-L263 HydrophobicContact CB-CD1 3.86Å; A258-L263 HydrophobicContact CB-CG 4.11Å; A258-L263 WeakPolarHBondContact O-CG 3.34Å; A258-L263 PolarHBondContact O-N 3.33Å
259H93.8Very high94.3Very high3 Ų340.4 Ų40.41%0.01420%0.2CC..Iπ-helixtrans-60-47.5175.7-79.187.7000112H224 L255 D256 W257 W264 F272H224-H259 AromaticContact ND1-CE1 3.87Å; H224-H259 AromaticContact ND1-ND1 3.88Å; L255-H259 WeakPolarHBondContact CD1-CE1 3.32Å; L255-H259 PolarHBondContact O-N 2.76Å; L255-H259 PolarHBondContact O-ND1 2.93Å; D256-H259 PolarHBondContact O-N 3.11Å; W257-H259 VanDerWaalsContact C-N 3.32Å; W257-H259 PolarHBondContact O-N 3.41Å; H259-W264 VanDerWaalsContact O-CD1 3.28Å; H259-F272 HydrophobicContact CB-CE1 4.37Å
260H91.9Very high94.3Very high25 Ų2537.5 Ų37.512%0.11619%0.186CC..Iπ-helixtrans-78.6-25.1-173.1-68.884000113.9D256 W257 W264 Y283 W287D256-H260 PolarHBondContact O-N 3.35Å; D256-H260 VanDerWaalsContact O-N 3.11Å; D256-H260 PolarHBondContact O-ND1 3.46Å; D256-H260 IonicContact OD1-CE1 2.82Å; D256-H260 PolarHBondContact OD1-CE1 2.66Å; D256-H260 VanDerWaalsContact OD1-CE1 3.3Å; D256-H260 IonicContact OD1-ND1 3.35Å; D256-H260 IonicContact OD2-CE1 3.34Å; D256-H260 IonicContact OD2-ND1 2.73Å; W257-H260 PolarHBondContact O-N 2.72Å; H260-W264 VanDerWaalsContact O-CD1 3.29Å; H260-W264 PolarHBondContact O-NE1 3.28Å; H260-Y283 AromaticContact NE2-CE2 3.43Å; H260-Y283 WeakPolarHBondContact NE2-CE2 3.43Å; H260-Y283 AromaticContact NE2-CZ 3.8Å; H260-Y283 PolarHBondContact NE2-OH 3.07Å; H260-W287 HydrophobicContact CB-CZ2 4.36Å; H260-W287 AromaticContact CD2-CZ2 3.37Å; H260-W287 WeakPolarHBondContact CD2-CZ2 3.37Å
261H89.9Confident94.4Very high65 Ų6532.7 Ų32.730%0.30116%0.162SC..Iπ-helixtrans-111.5-32.3-174.2-64.7-71.4000114.7W257 R265W257-H261 AromaticContact CD1-CD2 3.27Å; W257-H261 AromaticContact CD1-NE2 3.76Å; W257-H261 AromaticContact CE2-CD2 3.92Å; W257-H261 AromaticContact CG-CD2 3.76Å; W257-H261 HydrophobicContact CZ2-CB 4.42Å; W257-H261 AromaticContact NE1-CD2 3.36Å; W257-H261 PolarHBondContact NE1-CD2 2.73Å; W257-H261 AromaticContact NE1-CG 3.95Å; W257-H261 AromaticContact NE1-NE2 3.91Å; W257-H261 WeakPolarHBondContact O-CB 3.34Å; W257-H261 PolarHBondContact O-CD2 2.94Å; W257-H261 VanDerWaalsContact O-CD2 3.24Å; W257-H261 PolarHBondContact O-N 2.88Å; H261-R265 PolarHBondContact O-NE 2.98Å; H261-R265 PolarHBondContact O-NH2 3.34Å
262L91.7Very high94.4Very high49 Ų4930.3 Ų30.326%0.25715%0.151SC..Iπ-helixtrans-122.1-57.8-168.9-179.363000113.5V39 A258 W264 R265 L266V39-L262 HydrophobicContact CG1-CD1 3.99Å; V39-L262 HydrophobicContact CG2-CD1 3.99Å; A258-L262 CarbonylContact O-C 3.57Å; A258-L262 WeakPolarHBondContact O-CA 3.11Å; A258-L262 PolarHBondContact O-N 2.86Å; L262-W264 PolarHBondContact O-N 3.4Å; L262-R265 PolarHBondContact O-N 2.97Å; L262-R265 VanDerWaalsContact O-N 3.17Å; L262-L266 PolarHBondContact O-N 2.85Å
263L94.3Very high94.5Very high26 Ų2630.3 Ų30.314%0.13615%0.15CC..Iπ-helixtrans-65.2-37.3-165.9-65.1170.3000112.7P205 L222 A258 R265 L266 C267P205-L263 HydrophobicContact CB-CD1 4.31Å; P205-L263 HydrophobicContact CB-CD2 4.13Å; P205-L263 HydrophobicContact CG-CD1 3.77Å; P205-L263 HydrophobicContact CG-CD2 4.46Å; L222-L263 HydrophobicContact CD1-CB 3.97Å; A258-L263 HydrophobicContact CB-CD1 3.86Å; A258-L263 HydrophobicContact CB-CG 4.11Å; A258-L263 WeakPolarHBondContact O-CG 3.34Å; A258-L263 PolarHBondContact O-N 3.33Å; L263-R265 VanDerWaalsContact C-N 3.28Å; L263-R265 PolarHBondContact O-N 2.82Å; L263-L266 HydrophobicContact CD2-CD2 4.42Å; L263-L266 PolarHBondContact O-N 3.49Å; L263-C267 VanDerWaalsContact O-CB 3.27Å; L263-C267 WeakPolarHBondContact O-CB 3.44Å; L263-C267 PolarHBondContact O-N 3.27Å; L263-C267 PolarHBondContact O-SG 2.68Å; L263-C267 VanDerWaalsContact O-SG 3.32Å
264W94Very high94.5Very high3 Ų326.2 Ų26.21%0.01113%0.13CC..Hα-helixtrans-61.2-37.9177.977-91000112.5Q3 H259 H260 L262 G268 I269 F272 W287 R290 V292Q3-W264 HydrophobicContact CG-CH2 4.44Å; H259-W264 VanDerWaalsContact O-CD1 3.28Å; H260-W264 VanDerWaalsContact O-CD1 3.29Å; H260-W264 PolarHBondContact O-NE1 3.28Å; L262-W264 PolarHBondContact O-N 3.4Å; W264-G268 WeakPolarHBondContact O-CA 3.08Å; W264-G268 PolarHBondContact O-N 2.91Å; W264-I269 HydrophobicContact CB-CD1 3.69Å; W264-I269 HydrophobicContact CB-CG1 3.76Å; W264-I269 PolarHBondContact O-N 3.34Å; W264-I269 VanDerWaalsContact O-N 3.11Å; W264-F272 HydrophobicContact CB-CE2 3.88Å; W264-F272 HydrophobicContact CB-CZ 3.79Å; W264-W287 HydrophobicContact CB-CH2 4.45Å; W264-W287 HydrophobicContact CB-CZ3 4.47Å; W264-W287 AromaticContact CD1-CH2 3.69Å; W264-W287 AromaticContact CD1-CZ3 3.89Å; W264-W287 HydrophobicContact CD2-CH2 4.35Å; W264-W287 AromaticContact CD2-CZ3 3.78Å; W264-W287 HydrophobicContact CD2-CZ3 3.78Å; W264-W287 AromaticContact CE2-CZ3 3.79Å; W264-W287 HydrophobicContact CE3-CZ3 4.39Å; W264-W287 AromaticContact CG-CH2 3.95Å; W264-W287 HydrophobicContact CG-CH2 3.95Å; W264-W287 AromaticContact CG-CZ3 3.83Å; W264-W287 HydrophobicContact CG-CZ3 3.83Å; W264-W287 HydrophobicContact CZ2-CZ3 4.43Å; W264-W287 AromaticContact NE1-CH2 3.88Å; W264-W287 AromaticContact NE1-CZ3 3.82Å; W264-R290 HydrophobicContact CH2-CB 4.06Å; W264-R290 HydrophobicContact CH2-CG 4.35Å; W264-R290 HydrophobicContact CZ3-CB 4.45Å; W264-V292 HydrophobicContact CE3-CG2 3.88Å; W264-V292 HydrophobicContact CZ3-CG2 4.05Å
265R91.6Very high94.5Very high25 Ų2523.3 Ų23.39%0.09411%0.114CC..Hα-helixtrans-76-44176-72.1-174.9-94.9-160.5-5.4111.7H261 L262 L263 C267 G268H261-R265 PolarHBondContact O-NE 2.98Å; H261-R265 PolarHBondContact O-NH2 3.34Å; L262-R265 PolarHBondContact O-N 2.97Å; L262-R265 VanDerWaalsContact O-N 3.17Å; L263-R265 VanDerWaalsContact C-N 3.28Å; L263-R265 PolarHBondContact O-N 2.82Å; R265-C267 PolarHBondContact O-N 2.79Å; R265-G268 PolarHBondContact O-N 3.03Å
266L93.8Very high94.5Very high35 Ų3523 Ų2318%0.18311%0.11CC..Hα-helixtrans-57.4-43178-17666.5000110.6F42 R43 F44 Y209 L262 L263F42-L266 HydrophobicContact CB-CD1 4.44Å; R43-L266 WeakPolarHBondContact CA-O 3.22Å; R43-L266 HydrophobicContact CB-CD1 4.49Å; F44-L266 PolarHBondContact N-O 3.47Å; Y209-L266 HydrophobicContact CD2-CG 4.18Å; Y209-L266 HydrophobicContact CE2-CD1 4.22Å; Y209-L266 HydrophobicContact CE2-CG 4.09Å; L262-L266 PolarHBondContact O-N 2.85Å; L263-L266 HydrophobicContact CD2-CD2 4.42Å; L263-L266 PolarHBondContact O-N 3.49Å
267C95.2Very high94.3Very high1 Ų126.1 Ų26.11%0.00713%0.127CC..Hα-helixtrans-85.7-13.7179.6-62.40000113.8I208 R212 L263 R265 I269I208-C267 HydrophobicContact CG2-CB 3.85Å; R212-C267 WeakPolarHBondContact CG-O 3.41Å; L263-C267 VanDerWaalsContact O-CB 3.27Å; L263-C267 WeakPolarHBondContact O-CB 3.44Å; L263-C267 PolarHBondContact O-N 3.27Å; L263-C267 PolarHBondContact O-SG 2.68Å; L263-C267 VanDerWaalsContact O-SG 3.32Å; R265-C267 PolarHBondContact O-N 2.79Å; C267-I269 VanDerWaalsContact C-N 3.31Å; C267-I269 HydrophobicContact CB-CG2 3.72Å; C267-I269 PolarHBondContact O-N 2.88Å
268G94.7Very high94.2Very high2 Ų224.2 Ų24.22%0.02113%0.126CC..THydrogen-bonded Turntrans58.540-175.800000113.3F44 W264 R265F44-G268 WeakPolarHBondContact O-CA 3.32Å; W264-G268 WeakPolarHBondContact O-CA 3.08Å; W264-G268 PolarHBondContact O-N 2.91Å; R265-G268 PolarHBondContact O-N 3.03Å
269I96.5Very high94.4Very high0 Ų023.9 Ų23.90%012%0.122CC..  trans-67.2154.1-17463.1170.8000112.8Q46 I208 L222 W264 C267 A271 F272 V292Q46-I269 WeakPolarHBondContact CG-O 3.46Å; I208-I269 HydrophobicContact CG2-CG2 3.95Å; L222-I269 HydrophobicContact CB-CD1 4Å; L222-I269 HydrophobicContact CD1-CD1 3.9Å; L222-I269 HydrophobicContact CD1-CG2 4.2Å; L222-I269 HydrophobicContact CG-CD1 4.03Å; L222-I269 HydrophobicContact CG-CG2 3.88Å; W264-I269 HydrophobicContact CB-CD1 3.69Å; W264-I269 HydrophobicContact CB-CG1 3.76Å; W264-I269 PolarHBondContact O-N 3.34Å; W264-I269 VanDerWaalsContact O-N 3.11Å; C267-I269 VanDerWaalsContact C-N 3.31Å; C267-I269 HydrophobicContact CB-CG2 3.72Å; C267-I269 PolarHBondContact O-N 2.88Å; I269-A271 WeakPolarHBondContact CD1-O 3.43Å; I269-F272 HydrophobicContact CD1-CD1 4.2Å; I269-F272 HydrophobicContact CD1-CD2 3.84Å; I269-F272 HydrophobicContact CD1-CE1 3.94Å; I269-F272 HydrophobicContact CD1-CE2 3.51Å; I269-F272 HydrophobicContact CD1-CG 4.17Å; I269-F272 HydrophobicContact CD1-CZ 3.6Å; I269-V292 HydrophobicContact CD1-CG1 4.45Å
270S97.3Very high94.5Very high1 Ų126 Ų261%0.00714%0.137CC..SBendtrans-102-20.8178.6-590000113.1L219 T220 V292 E293L219-S270 VanDerWaalsContact CD2-OG 3.23Å; L219-S270 WeakPolarHBondContact CD2-OG 3.45Å; T220-S270 PolarHBondContact O-N 2.97Å; S270-V292 WeakPolarHBondContact O-CA 3.4Å; S270-E293 PolarHBondContact O-N 2.92Å
271A97.4Very high94.6Very high0 Ų030.1 Ų30.10%016%0.156CC..EExtended strand (participates in β ladder)trans-148.3160.1176.200000113.3L56 I199 T220 A221 L222 I269 E293L56-A271 HydrophobicContact CD1-CB 3.79Å; I199-A271 HydrophobicContact CD1-CB 4.02Å; T220-A271 PolarHBondContact O-N 2.79Å; A221-A271 WeakPolarHBondContact CA-O 3.14Å; A221-A271 HydrophobicContact CB-CB 4.03Å; A221-A271 WeakPolarHBondContact CB-O 3.36Å; L222-A271 PolarHBondContact N-O 2.87Å; I269-A271 WeakPolarHBondContact CD1-O 3.43Å; A271-E293 CarbonylContact C-O 3.54Å; A271-E293 WeakPolarHBondContact CA-O 3.45Å; A271-E293 HydrophobicContact CB-CB 4.14Å; A271-E293 WeakPolarHBondContact CB-O 3.33Å
272F96.9Very high94.9Very high0 Ų032.7 Ų32.70%017%0.173CC..EExtended strand (participates in β ladder)trans-108130.3163.4-89.4-75000110.1L222 H259 W264 I269 W287 V292 E293 V295L222-F272 HydrophobicContact CB-CD1 4.01Å; L222-F272 HydrophobicContact CB-CE1 3.77Å; L222-F272 HydrophobicContact CD1-CE1 4.27Å; L222-F272 HydrophobicContact CD1-CZ 4.49Å; L222-F272 WeakPolarHBondContact O-CA 3.42Å; L222-F272 WeakPolarHBondContact O-CD1 3.5Å; H259-F272 HydrophobicContact CB-CE1 4.37Å; W264-F272 HydrophobicContact CB-CE2 3.88Å; W264-F272 HydrophobicContact CB-CZ 3.79Å; I269-F272 HydrophobicContact CD1-CD1 4.2Å; I269-F272 HydrophobicContact CD1-CD2 3.84Å; I269-F272 HydrophobicContact CD1-CE1 3.94Å; I269-F272 HydrophobicContact CD1-CE2 3.51Å; I269-F272 HydrophobicContact CD1-CG 4.17Å; I269-F272 HydrophobicContact CD1-CZ 3.6Å; F272-W287 AromaticContact CD2-CD2 3.89Å; F272-W287 HydrophobicContact CD2-CD2 3.89Å; F272-W287 AromaticContact CD2-CE2 3.72Å; F272-W287 HydrophobicContact CD2-CE3 4.16Å; F272-W287 HydrophobicContact CD2-CG 4.44Å; F272-W287 HydrophobicContact CD2-CH2 4.17Å; F272-W287 AromaticContact CD2-CZ2 3.83Å; F272-W287 HydrophobicContact CD2-CZ2 3.83Å; F272-W287 HydrophobicContact CD2-CZ3 4.32Å; F272-W287 AromaticContact CE2-CD2 3.97Å; F272-W287 HydrophobicContact CE2-CD2 3.97Å; F272-W287 AromaticContact CE2-CE2 3.66Å; F272-W287 AromaticContact CE2-CE3 3.92Å; F272-W287 HydrophobicContact CE2-CE3 3.92Å; F272-W287 AromaticContact CE2-CH2 3.27Å; F272-W287 HydrophobicContact CE2-CH2 3.27Å; F272-W287 AromaticContact CE2-CZ2 3.27Å; F272-W287 HydrophobicContact CE2-CZ2 3.27Å; F272-W287 AromaticContact CE2-CZ3 3.61Å; F272-W287 HydrophobicContact CE2-CZ3 3.61Å; F272-W287 AromaticContact CZ-CH2 3.87Å; F272-W287 HydrophobicContact CZ-CH2 3.87Å; F272-W287 AromaticContact CZ-CZ2 3.84Å; F272-W287 HydrophobicContact CZ-CZ2 3.84Å; F272-V292 HydrophobicContact CD2-CG1 3.69Å; F272-V292 HydrophobicContact CE2-CG1 4.26Å; F272-E293 PolarHBondContact N-O 2.94Å; F272-V295 PolarHBondContact O-N 2.76Å
273L97.3Very high95.1Very high4 Ų431.9 Ų31.92%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-96105.7164.4-85.565.9000107.3Y170 C201 A221 L222 T223 H224 V295 W297 I317Y170-L273 HydrophobicContact CD1-CD1 4.44Å; Y170-L273 HydrophobicContact CD1-CD2 4.32Å; Y170-L273 HydrophobicContact CE1-CD1 4.46Å; C201-L273 HydrophobicContact CB-CD1 4.34Å; C201-L273 HydrophobicContact CB-CD2 3.79Å; A221-L273 HydrophobicContact CB-CD1 3.56Å; L222-L273 PolarHBondContact O-N 3.17Å; T223-L273 CarbonylContact C-O 3.58Å; T223-L273 VanDerWaalsContact CA-O 3.27Å; T223-L273 WeakPolarHBondContact CA-O 3.44Å; T223-L273 HydrophobicContact CG2-CB 3.91Å; H224-L273 PolarHBondContact N-O 3.33Å; L273-V295 CarbonylContact C-O 3.58Å; L273-V295 VanDerWaalsContact CA-O 3.31Å; L273-V295 WeakPolarHBondContact CA-O 3.45Å; L273-V295 HydrophobicContact CD1-CB 4.11Å; L273-V295 HydrophobicContact CD1-CG2 4.3Å; L273-V295 HydrophobicContact CG-CB 4.11Å; L273-V295 HydrophobicContact CG-CG1 4.41Å; L273-W297 VanDerWaalsContact C-CD1 3.44Å; L273-W297 PolarHBondContact O-NE1 3.43Å; L273-I317 HydrophobicContact CD2-CD1 3.66Å; L273-I317 HydrophobicContact CG-CD1 4.15Å
274I96.2Very high95.2Very high1 Ų131.4 Ų31.41%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-120.1144.1-169.1-168.971000111.7H224 K276 V278 V279 Y283 V294 V295 A296 W297H224-I274 HydrophobicContact CB-CD1 3.86Å; I274-K276 PolarHBondContact O-N 3.22Å; I274-V278 HydrophobicContact CD1-CG2 3.91Å; I274-V278 HydrophobicContact CG1-CG2 3.43Å; I274-V278 VanDerWaalsContact CG1-CG2 3.43Å; I274-V279 HydrophobicContact CG2-CG2 3.38Å; I274-Y283 HydrophobicContact CG1-CE1 4.31Å; I274-Y283 HydrophobicContact CG2-CE1 4.1Å; I274-V294 HydrophobicContact CG2-CG1 3.62Å; I274-V295 PolarHBondContact N-O 2.82Å; I274-A296 WeakPolarHBondContact O-CA 3.31Å; I274-W297 VanDerWaalsContact C-CD1 3.5Å; I274-W297 VanDerWaalsContact C-NE1 3.27Å; I274-W297 VanDerWaalsContact O-CD1 3.27Å; I274-W297 PolarHBondContact O-N 3.41Å
275Q94.7Very high95.3Very high32 Ų3234.6 Ų34.615%0.1518%0.179CC..EExtended strand (participates in β ladder)trans-56.9133174.2-172.2-175.323.200111.2H224 R225 N277 V278 W297H224-Q275 PolarHBondContact O-N 3.28Å; R225-Q275 HydrophobicContact CG-CB 4.17Å; R225-Q275 HydrophobicContact CG-CG 4.36Å; Q275-N277 PolarHBondContact O-N 2.92Å; Q275-N277 VanDerWaalsContact O-N 3.07Å; Q275-V278 VanDerWaalsContact O-CG2 3.28Å; Q275-V278 WeakPolarHBondContact O-CG2 3.46Å; Q275-V278 PolarHBondContact O-N 2.93Å; Q275-W297 CarbonylContact C-O 3.45Å; Q275-W297 WeakPolarHBondContact CA-O 3.42Å; Q275-W297 HydrophobicContact CB-CZ2 4.41Å
276K94.1Very high95.4Very high39 Ų3936.6 Ų36.617%0.1719%0.187CC..G310 helixtrans-51.1-36.9-174.474.1-175-178.7178.20115.6I274 V278 V279 W297 T298 I299 E304 F308I274-K276 PolarHBondContact O-N 3.22Å; K276-V278 PolarHBondContact O-N 3.36Å; K276-V278 VanDerWaalsContact O-N 3.13Å; K276-V279 PolarHBondContact O-N 3.17Å; K276-V279 VanDerWaalsContact O-N 3.12Å; K276-W297 PolarHBondContact N-O 2.81Å; K276-T298 WeakPolarHBondContact CD-O 3.5Å; K276-T298 PolarHBondContact NZ-O 3.36Å; K276-I299 HydrophobicContact CB-CD1 3.19Å; K276-I299 HydrophobicContact CD-CD1 3.5Å; K276-I299 HydrophobicContact CG-CD1 3.97Å; K276-E304 WeakPolarHBondContact CE-OE1 3.37Å; K276-E304 IonicContact NZ-OE1 3.79Å; K276-E304 PolarHBondContact NZ-OE1 3Å; K276-E304 IonicContact NZ-OE2 3.52Å; K276-E304 PolarHBondContact NZ-OE2 3.17Å; K276-F308 HydrophobicContact CB-CE2 4.16Å; K276-F308 HydrophobicContact CB-CZ 3.87Å
277N91.9Very high95.5Very high120 Ų12034.9 Ų34.964%0.64218%0.179SC*.G310 helixtrans-68.6-13.8-171.5-66.9-13.4000114.2Q275Q275-N277 PolarHBondContact O-N 2.92Å; Q275-N277 VanDerWaalsContact O-N 3.07Å
278V92.2Very high95.4Very high58 Ų5837.1 Ų37.135%0.35219%0.192SC..G310 helixtrans-106.3-0.8177.3-60.70000113.4P226 I274 Q275 K276 S280P226-V278 HydrophobicContact CG-CG1 3.87Å; P226-V278 HydrophobicContact CG-CG2 4.3Å; I274-V278 HydrophobicContact CD1-CG2 3.91Å; I274-V278 HydrophobicContact CG1-CG2 3.43Å; I274-V278 VanDerWaalsContact CG1-CG2 3.43Å; Q275-V278 VanDerWaalsContact O-CG2 3.28Å; Q275-V278 WeakPolarHBondContact O-CG2 3.46Å; Q275-V278 PolarHBondContact O-N 2.93Å; K276-V278 PolarHBondContact O-N 3.36Å; K276-V278 VanDerWaalsContact O-N 3.13Å; V278-S280 PolarHBondContact O-N 3Å
279V96.2Very high95.3Very high13 Ų1344.7 Ų44.78%0.07922%0.22CC..  trans-83.9122.3-177.5-168.70000110.1I274 K276 V284 V294 A296 F308 L312 I314I274-V279 HydrophobicContact CG2-CG2 3.38Å; K276-V279 PolarHBondContact O-N 3.17Å; K276-V279 VanDerWaalsContact O-N 3.12Å; V279-V284 HydrophobicContact CG1-CG2 3.89Å; V279-V294 HydrophobicContact CG1-CG1 4.38Å; V279-A296 HydrophobicContact CG2-CB 4.23Å; V279-F308 HydrophobicContact CB-CE1 3.81Å; V279-F308 HydrophobicContact CB-CZ 4.19Å; V279-F308 HydrophobicContact CG1-CE1 3.94Å; V279-F308 HydrophobicContact CG2-CE1 4.19Å; V279-L312 HydrophobicContact CG1-CD1 3.89Å; V279-I314 HydrophobicContact CG1-CD1 3.7Å
280S95.9Very high95.1Very high48 Ų4845.7 Ų45.734%0.33622%0.224SC..  trans-128.2166.6171.771.50000110.3V278 D282 Y283 V284V278-S280 PolarHBondContact O-N 3Å; S280-D282 PolarHBondContact O-N 3.18Å; S280-Y283 WeakPolarHBondContact O-CB 3.42Å; S280-Y283 PolarHBondContact O-N 2.94Å; S280-Y283 VanDerWaalsContact O-N 3.13Å; S280-Y283 PolarHBondContact OG-N 3.13Å; S280-Y283 VanDerWaalsContact OG-N 3.17Å; S280-V284 WeakPolarHBondContact O-CG2 3.23Å; S280-V284 PolarHBondContact O-N 3.12Å
281Q95.7Very high95Very high110 Ų11046 Ų4651%0.51423%0.228SC..Hα-helixtrans-59.2-37.7175.3-167.6175.323.800111.9V284 Q285 L312Q281-V284 PolarHBondContact O-N 3.32Å; Q281-Q285 VanDerWaalsContact O-CG 3.31Å; Q281-Q285 WeakPolarHBondContact O-CG 3.45Å; Q281-Q285 PolarHBondContact O-N 3.06Å; Q281-L312 HydrophobicContact CB-CD2 3.93Å
282D95.9Very high94.9Very high120 Ų12046 Ų4664%0.64223%0.228SC*.Hα-helixtrans-64.4-40.8175.7-71.9-24.8000111.8S280 Q285 Y286S280-D282 PolarHBondContact O-N 3.18Å; D282-Q285 PolarHBondContact O-N 2.75Å; D282-Y286 VanDerWaalsContact O-CB 3.26Å; D282-Y286 WeakPolarHBondContact O-CB 3.39Å; D282-Y286 PolarHBondContact O-N 2.99Å
283Y95.9Very high94.8Very high32 Ų3247.2 Ų47.213%0.12523%0.233CC..Hα-helixtrans-62.5-44.8176.3-173.3-90.5000111.5H260 I274 S280 Y286 W287 V294H260-Y283 AromaticContact NE2-CE2 3.43Å; H260-Y283 WeakPolarHBondContact NE2-CE2 3.43Å; H260-Y283 AromaticContact NE2-CZ 3.8Å; H260-Y283 PolarHBondContact NE2-OH 3.07Å; I274-Y283 HydrophobicContact CG1-CE1 4.31Å; I274-Y283 HydrophobicContact CG2-CE1 4.1Å; S280-Y283 WeakPolarHBondContact O-CB 3.42Å; S280-Y283 PolarHBondContact O-N 2.94Å; S280-Y283 VanDerWaalsContact O-N 3.13Å; S280-Y283 PolarHBondContact OG-N 3.13Å; S280-Y283 VanDerWaalsContact OG-N 3.17Å; Y283-Y286 WeakPolarHBondContact O-CB 3.27Å; Y283-Y286 PolarHBondContact O-N 3.28Å; Y283-W287 AromaticContact CD1-CD1 3.72Å; Y283-W287 AromaticContact CE1-CD1 3.34Å; Y283-W287 AromaticContact CE1-NE1 3.42Å; Y283-W287 AromaticContact CE2-NE1 3.45Å; Y283-W287 AromaticContact CZ-CD1 3.52Å; Y283-W287 AromaticContact CZ-NE1 3.04Å; Y283-W287 VanDerWaalsContact O-CD1 3.3Å; Y283-W287 PolarHBondContact O-N 3.28Å; Y283-W287 PolarHBondContact OH-NE1 3.07Å; Y283-W287 VanDerWaalsContact OH-NE1 3.08Å; Y283-V294 HydrophobicContact CD1-CG1 4.27Å; Y283-V294 HydrophobicContact CD1-CG2 4.34Å; Y283-V294 HydrophobicContact CE1-CG1 4.09Å; Y283-V294 HydrophobicContact CE1-CG2 4.21Å
284V96Very high94.8Very high16 Ų1647.2 Ų47.210%0.09723%0.233CC..Hα-helixtrans-60.1-52.3175.6174.60000110.3V279 S280 Q281 Y286 W287 T288 V294 I314V279-V284 HydrophobicContact CG1-CG2 3.89Å; S280-V284 WeakPolarHBondContact O-CG2 3.23Å; S280-V284 PolarHBondContact O-N 3.12Å; Q281-V284 PolarHBondContact O-N 3.32Å; V284-Y286 VanDerWaalsContact C-N 3.28Å; V284-Y286 PolarHBondContact O-N 2.98Å; V284-W287 PolarHBondContact O-N 3.41Å; V284-T288 PolarHBondContact O-N 3.49Å; V284-T288 PolarHBondContact O-OG1 3.22Å; V284-V294 HydrophobicContact CG2-CB 4.46Å; V284-I314 HydrophobicContact CB-CG2 4.33Å; V284-I314 HydrophobicContact CG1-CG2 3.58Å; V284-I314 HydrophobicContact CG2-CD1 4.04Å; V284-I314 HydrophobicContact CG2-CG2 3.72Å
285Q95.3Very high94.9Very high69 Ų6947.1 Ų47.132%0.32223%0.233SC..Hα-helixtrans-60-37.9179.4-71-177.721.700112.7Q281 D282 W287 R289Q281-Q285 VanDerWaalsContact O-CG 3.31Å; Q281-Q285 WeakPolarHBondContact O-CG 3.45Å; Q281-Q285 PolarHBondContact O-N 3.06Å; D282-Q285 PolarHBondContact O-N 2.75Å; Q285-W287 VanDerWaalsContact C-N 3.3Å; Q285-W287 PolarHBondContact O-N 3.1Å; Q285-R289 WeakPolarHBondContact O-CB 3.31Å; Q285-R289 WeakPolarHBondContact O-CG 3.4Å; Q285-R289 PolarHBondContact O-N 3.38Å; Q285-R289 VanDerWaalsContact O-N 3.09Å
286Y94.3Very high95Very high67 Ų6745.6 Ų45.626%0.26323%0.226SC..Hα-helixtrans-57.1-44.5177.6173.4-89.4000111.7D282 Y283 V284 R290D282-Y286 VanDerWaalsContact O-CB 3.26Å; D282-Y286 WeakPolarHBondContact O-CB 3.39Å; D282-Y286 PolarHBondContact O-N 2.99Å; Y283-Y286 WeakPolarHBondContact O-CB 3.27Å; Y283-Y286 PolarHBondContact O-N 3.28Å; V284-Y286 VanDerWaalsContact C-N 3.28Å; V284-Y286 PolarHBondContact O-N 2.98Å; Y286-R290 VanDerWaalsContact CZ-CZ 3.46Å; Y286-R290 PolarHBondContact O-NH1 3.44Å
287W95.3Very high95.1Very high0 Ų045.5 Ų45.50%023%0.225CC..Hα-helixtrans-80.5-40.4-179.5-73.5119.5000113.3H260 W264 F272 Y283 V284 Q285 R289 R290 G291 V292 V294H260-W287 HydrophobicContact CB-CZ2 4.36Å; H260-W287 AromaticContact CD2-CZ2 3.37Å; H260-W287 WeakPolarHBondContact CD2-CZ2 3.37Å; W264-W287 HydrophobicContact CB-CH2 4.45Å; W264-W287 HydrophobicContact CB-CZ3 4.47Å; W264-W287 AromaticContact CD1-CH2 3.69Å; W264-W287 AromaticContact CD1-CZ3 3.89Å; W264-W287 HydrophobicContact CD2-CH2 4.35Å; W264-W287 AromaticContact CD2-CZ3 3.78Å; W264-W287 HydrophobicContact CD2-CZ3 3.78Å; W264-W287 AromaticContact CE2-CZ3 3.79Å; W264-W287 HydrophobicContact CE3-CZ3 4.39Å; W264-W287 AromaticContact CG-CH2 3.95Å; W264-W287 HydrophobicContact CG-CH2 3.95Å; W264-W287 AromaticContact CG-CZ3 3.83Å; W264-W287 HydrophobicContact CG-CZ3 3.83Å; W264-W287 HydrophobicContact CZ2-CZ3 4.43Å; W264-W287 AromaticContact NE1-CH2 3.88Å; W264-W287 AromaticContact NE1-CZ3 3.82Å; F272-W287 AromaticContact CD2-CD2 3.89Å; F272-W287 HydrophobicContact CD2-CD2 3.89Å; F272-W287 AromaticContact CD2-CE2 3.72Å; F272-W287 HydrophobicContact CD2-CE3 4.16Å; F272-W287 HydrophobicContact CD2-CG 4.44Å; F272-W287 HydrophobicContact CD2-CH2 4.17Å; F272-W287 AromaticContact CD2-CZ2 3.83Å; F272-W287 HydrophobicContact CD2-CZ2 3.83Å; F272-W287 HydrophobicContact CD2-CZ3 4.32Å; F272-W287 AromaticContact CE2-CD2 3.97Å; F272-W287 HydrophobicContact CE2-CD2 3.97Å; F272-W287 AromaticContact CE2-CE2 3.66Å; F272-W287 AromaticContact CE2-CE3 3.92Å; F272-W287 HydrophobicContact CE2-CE3 3.92Å; F272-W287 AromaticContact CE2-CH2 3.27Å; F272-W287 HydrophobicContact CE2-CH2 3.27Å; F272-W287 AromaticContact CE2-CZ2 3.27Å; F272-W287 HydrophobicContact CE2-CZ2 3.27Å; F272-W287 AromaticContact CE2-CZ3 3.61Å; F272-W287 HydrophobicContact CE2-CZ3 3.61Å; F272-W287 AromaticContact CZ-CH2 3.87Å; F272-W287 HydrophobicContact CZ-CH2 3.87Å; F272-W287 AromaticContact CZ-CZ2 3.84Å; F272-W287 HydrophobicContact CZ-CZ2 3.84Å; Y283-W287 AromaticContact CD1-CD1 3.72Å; Y283-W287 AromaticContact CE1-CD1 3.34Å; Y283-W287 AromaticContact CE1-NE1 3.42Å; Y283-W287 AromaticContact CE2-NE1 3.45Å; Y283-W287 AromaticContact CZ-CD1 3.52Å; Y283-W287 AromaticContact CZ-NE1 3.04Å; Y283-W287 VanDerWaalsContact O-CD1 3.3Å; Y283-W287 PolarHBondContact O-N 3.28Å; Y283-W287 PolarHBondContact OH-NE1 3.07Å; Y283-W287 VanDerWaalsContact OH-NE1 3.08Å; V284-W287 PolarHBondContact O-N 3.41Å; Q285-W287 VanDerWaalsContact C-N 3.3Å; Q285-W287 PolarHBondContact O-N 3.1Å; W287-R289 VanDerWaalsContact C-N 3.26Å; W287-R289 PolarHBondContact O-N 2.88Å; W287-R290 CarbonylContact O-C 3.5Å; W287-R290 VanDerWaalsContact O-CA 3.32Å; W287-R290 WeakPolarHBondContact O-CA 3.5Å; W287-R290 WeakPolarHBondContact O-CB 3.43Å; W287-R290 PolarHBondContact O-N 3.02Å; W287-G291 PolarHBondContact O-N 3.49Å; W287-V292 CarbonylContact C-O 3.56Å; W287-V292 HydrophobicContact CB-CB 4.29Å; W287-V292 WeakPolarHBondContact CB-O 3.38Å; W287-V292 HydrophobicContact CE3-CB 4.01Å; W287-V292 HydrophobicContact CE3-CG1 4.29Å; W287-V292 HydrophobicContact CE3-CG2 4.19Å; W287-V292 PolarHBondContact O-N 3.24Å; W287-V292 VanDerWaalsContact O-N 3.08Å; W287-V292 VanDerWaalsContact O-O 3.12Å; W287-V294 HydrophobicContact CB-CG2 3.73Å; W287-V294 HydrophobicContact CG-CG2 4.1Å
288T92.9Very high95.2Very high47 Ų4740.7 Ų40.729%0.28820%0.199SC..Hα-helixtrans-59.7-37.6177.3-54.40000111.8V284 R290 G291 V292V284-T288 PolarHBondContact O-N 3.49Å; V284-T288 PolarHBondContact O-OG1 3.22Å; T288-R290 PolarHBondContact O-N 3.45Å; T288-G291 PolarHBondContact O-N 2.93Å; T288-V292 PolarHBondContact N-O 3.46Å
289R93.3Very high95.4Very high162 Ų16237.9 Ų37.961%0.61118%0.183SC*.THydrogen-bonded Turntrans-64-19.8174.1-72.5174.6-162.9165.49.5113.4L2 Q285 W287L2-R289 HydrophobicContact CD1-CB 4.12Å; Q285-R289 WeakPolarHBondContact O-CB 3.31Å; Q285-R289 WeakPolarHBondContact O-CG 3.4Å; Q285-R289 PolarHBondContact O-N 3.38Å; Q285-R289 VanDerWaalsContact O-N 3.09Å; W287-R289 VanDerWaalsContact C-N 3.26Å; W287-R289 PolarHBondContact O-N 2.88Å
290R92.8Very high95.4Very high20 Ų2037.4 Ų37.48%0.07518%0.179CC..THydrogen-bonded Turntrans-99.47.2175.5-67.6172.6174.176.4-1112.3D6 Q46 W264 Y286 W287 T288 V292D6-R290 VanDerWaalsContact CG-NH2 3.25Å; D6-R290 IonicContact OD1-NH2 3.55Å; D6-R290 PolarHBondContact OD1-NH2 3.33Å; D6-R290 IonicContact OD2-CZ 3.92Å; D6-R290 IonicContact OD2-NE 3.44Å; D6-R290 PolarHBondContact OD2-NE 3.45Å; D6-R290 IonicContact OD2-NH2 3.14Å; D6-R290 PolarHBondContact OD2-NH2 3.09Å; Q46-R290 PolarHBondContact NE2-O 2.91Å; Q46-R290 PolarHBondContact OE1-O 3.41Å; W264-R290 HydrophobicContact CH2-CB 4.06Å; W264-R290 HydrophobicContact CH2-CG 4.35Å; W264-R290 HydrophobicContact CZ3-CB 4.45Å; Y286-R290 VanDerWaalsContact CZ-CZ 3.46Å; Y286-R290 PolarHBondContact O-NH1 3.44Å; W287-R290 CarbonylContact O-C 3.5Å; W287-R290 VanDerWaalsContact O-CA 3.32Å; W287-R290 WeakPolarHBondContact O-CA 3.5Å; W287-R290 WeakPolarHBondContact O-CB 3.43Å; W287-R290 PolarHBondContact O-N 3.02Å; T288-R290 PolarHBondContact O-N 3.45Å; R290-V292 PolarHBondContact O-N 3.23Å
291G93.8Very high95.4Very high9 Ų937.3 Ų37.39%0.09318%0.177CC..THydrogen-bonded Turntrans72.313.8179.300000114.3Q46 T49 W287 T288Q46-G291 PolarHBondContact NE2-O 3.28Å; T49-G291 WeakPolarHBondContact OG1-CA 3.18Å; W287-G291 PolarHBondContact O-N 3.49Å; T288-G291 PolarHBondContact O-N 2.93Å
292V96.1Very high95.4Very high0 Ų038.5 Ų38.50%018%0.18CC..  trans-102.6125.7178.4-177.20000108.1W264 I269 S270 F272 W287 T288 R290W264-V292 HydrophobicContact CE3-CG2 3.88Å; W264-V292 HydrophobicContact CZ3-CG2 4.05Å; I269-V292 HydrophobicContact CD1-CG1 4.45Å; S270-V292 WeakPolarHBondContact O-CA 3.4Å; F272-V292 HydrophobicContact CD2-CG1 3.69Å; F272-V292 HydrophobicContact CE2-CG1 4.26Å; W287-V292 CarbonylContact C-O 3.56Å; W287-V292 HydrophobicContact CB-CB 4.29Å; W287-V292 WeakPolarHBondContact CB-O 3.38Å; W287-V292 HydrophobicContact CE3-CB 4.01Å; W287-V292 HydrophobicContact CE3-CG1 4.29Å; W287-V292 HydrophobicContact CE3-CG2 4.19Å; W287-V292 PolarHBondContact O-N 3.24Å; W287-V292 VanDerWaalsContact O-N 3.08Å; W287-V292 VanDerWaalsContact O-O 3.12Å; T288-V292 PolarHBondContact N-O 3.46Å; R290-V292 PolarHBondContact O-N 3.23Å
293E96Very high95.4Very high24 Ų2439.5 Ų39.511%0.11219%0.185CC..EExtended strand (participates in β ladder)trans-82156.6177.2-61.4-62.114100110.8R53 L56 S270 A271 F272R53-E293 HydrophobicContact CG-CG 4.23Å; R53-E293 WeakPolarHBondContact CG-OE1 3.36Å; R53-E293 IonicContact CZ-OE1 3.39Å; R53-E293 IonicContact NE-OE1 2.94Å; R53-E293 PolarHBondContact NE-OE1 3.4Å; R53-E293 IonicContact NH2-OE1 2.69Å; L56-E293 HydrophobicContact CD1-CB 3.62Å; L56-E293 HydrophobicContact CD1-CG 3.84Å; S270-E293 PolarHBondContact O-N 2.92Å; A271-E293 CarbonylContact C-O 3.54Å; A271-E293 WeakPolarHBondContact CA-O 3.45Å; A271-E293 HydrophobicContact CB-CB 4.14Å; A271-E293 WeakPolarHBondContact CB-O 3.33Å; F272-E293 PolarHBondContact N-O 2.94Å
294V96.8Very high95.4Very high4 Ų440.2 Ų40.22%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-117.3131.4178.9-1780000108.9I274 V279 Y283 V284 W287 I314I274-V294 HydrophobicContact CG2-CG1 3.62Å; V279-V294 HydrophobicContact CG1-CG1 4.38Å; Y283-V294 HydrophobicContact CD1-CG1 4.27Å; Y283-V294 HydrophobicContact CD1-CG2 4.34Å; Y283-V294 HydrophobicContact CE1-CG1 4.09Å; Y283-V294 HydrophobicContact CE1-CG2 4.21Å; V284-V294 HydrophobicContact CG2-CB 4.46Å; W287-V294 HydrophobicContact CB-CG2 3.73Å; W287-V294 HydrophobicContact CG-CG2 4.1Å; V294-I314 HydrophobicContact CB-CD1 4.42Å; V294-I314 HydrophobicContact CG1-CD1 3.99Å
295V97.4Very high95.4Very high0 Ų040.3 Ų40.30%019%0.188CC..EExtended strand (participates in β ladder)trans-124.2123.7175.1-174.10000108I66 Y170 F272 L273 I274 N315 I317I66-V295 HydrophobicContact CD1-CG1 4.36Å; Y170-V295 HydrophobicContact CE1-CG1 4.46Å; Y170-V295 HydrophobicContact CE1-CG2 4.32Å; F272-V295 PolarHBondContact O-N 2.76Å; L273-V295 CarbonylContact C-O 3.58Å; L273-V295 VanDerWaalsContact CA-O 3.31Å; L273-V295 WeakPolarHBondContact CA-O 3.45Å; L273-V295 HydrophobicContact CD1-CB 4.11Å; L273-V295 HydrophobicContact CD1-CG2 4.3Å; L273-V295 HydrophobicContact CG-CB 4.11Å; L273-V295 HydrophobicContact CG-CG1 4.41Å; I274-V295 PolarHBondContact N-O 2.82Å; V295-N315 WeakPolarHBondContact CA-O 3.43Å; V295-N315 HydrophobicContact CB-CB 4.48Å; V295-N315 HydrophobicContact CG1-CB 4.05Å; V295-N315 HydrophobicContact CG2-CB 4.11Å; V295-I317 HydrophobicContact CG1-CD1 4.21Å; V295-I317 HydrophobicContact CG1-CG1 4.06Å
296A97.3Very high95.4Very high0 Ų039.7 Ų39.70%019%0.187CC..EExtended strand (participates in β ladder)trans-92.3146.7-177.700000112.2I274 V279 I299 F308 I314 N315 Y316 I317I274-A296 WeakPolarHBondContact O-CA 3.31Å; V279-A296 HydrophobicContact CG2-CB 4.23Å; A296-I299 HydrophobicContact CB-CD1 4.23Å; A296-I299 HydrophobicContact CB-CG1 4.3Å; A296-F308 HydrophobicContact CB-CD1 3.57Å; A296-F308 HydrophobicContact CB-CE1 3.25Å; A296-F308 HydrophobicContact CB-CG 4.41Å; A296-F308 HydrophobicContact CB-CZ 3.9Å; A296-I314 HydrophobicContact CB-CD1 4.16Å; A296-N315 PolarHBondContact N-O 3.44Å; A296-Y316 CarbonylContact O-C 3.56Å; A296-Y316 VanDerWaalsContact O-CA 3.27Å; A296-Y316 WeakPolarHBondContact O-CA 3.36Å; A296-I317 PolarHBondContact O-N 3.4Å
297W95.6Very high95.4Very high37 Ų3741.3 Ų41.314%0.1419%0.194CC..EExtended strand (participates in β ladder)trans-147.3153.7175.161.1-91000112.4F203 T223 H224 R225 L273 I274 Q275 K276 I317F203-W297 AromaticContact CE1-CH2 3.91Å; F203-W297 HydrophobicContact CE1-CH2 3.91Å; F203-W297 AromaticContact CE1-CZ2 3.71Å; F203-W297 HydrophobicContact CE1-CZ2 3.71Å; F203-W297 AromaticContact CZ-CH2 3.5Å; F203-W297 HydrophobicContact CZ-CH2 3.5Å; F203-W297 AromaticContact CZ-CZ2 3.47Å; F203-W297 HydrophobicContact CZ-CZ2 3.47Å; F203-W297 VanDerWaalsContact CZ-CZ2 3.47Å; F203-W297 HydrophobicContact CZ-CZ3 4.41Å; T223-W297 HydrophobicContact CG2-CZ2 3.96Å; H224-W297 WeakPolarHBondContact O-CZ2 3.43Å; R225-W297 HydrophobicContact CB-CH2 3.84Å; R225-W297 HydrophobicContact CB-CZ2 3.98Å; R225-W297 HydrophobicContact CG-CH2 4.21Å; L273-W297 VanDerWaalsContact C-CD1 3.44Å; L273-W297 PolarHBondContact O-NE1 3.43Å; I274-W297 VanDerWaalsContact C-CD1 3.5Å; I274-W297 VanDerWaalsContact C-NE1 3.27Å; I274-W297 VanDerWaalsContact O-CD1 3.27Å; I274-W297 PolarHBondContact O-N 3.41Å; Q275-W297 CarbonylContact C-O 3.45Å; Q275-W297 WeakPolarHBondContact CA-O 3.42Å; Q275-W297 HydrophobicContact CB-CZ2 4.41Å; K276-W297 PolarHBondContact N-O 2.81Å; W297-I317 HydrophobicContact CB-CB 3.85Å; W297-I317 HydrophobicContact CB-CD1 4.17Å; W297-I317 HydrophobicContact CB-CG1 4.47Å; W297-I317 HydrophobicContact CB-CG2 4.4Å
298T94.3Very high95.4Very high18 Ų1841.7 Ų41.711%0.1120%0.195CC..  cis-101.2123.9-17.5-48.70000108.7H68 K276 N300 I317 D319H68-T298 HydrophobicContact CB-CG2 4.46Å; K276-T298 WeakPolarHBondContact CD-O 3.5Å; K276-T298 PolarHBondContact NZ-O 3.36Å; T298-N300 WeakPolarHBondContact CG2-OD1 3.47Å; T298-I317 CarbonylContact C-O 3.54Å; T298-I317 WeakPolarHBondContact CA-O 3.37Å; T298-D319 WeakPolarHBondContact CG2-OD2 3.33Å
299I95.9Very high95.4Very high0 Ų041.8 Ų41.80%019%0.193CC..  trans-101.897.4-169.7-52.7-53.4000110.2K276 A296 E304 K305 F308 Y316 I317 T318K276-I299 HydrophobicContact CB-CD1 3.19Å; K276-I299 HydrophobicContact CD-CD1 3.5Å; K276-I299 HydrophobicContact CG-CD1 3.97Å; A296-I299 HydrophobicContact CB-CD1 4.23Å; A296-I299 HydrophobicContact CB-CG1 4.3Å; I299-E304 HydrophobicContact CG2-CB 3.49Å; I299-E304 VanDerWaalsContact CG2-CB 3.49Å; I299-K305 HydrophobicContact CG2-CB 4.44Å; I299-K305 HydrophobicContact CG2-CG 3.81Å; I299-K305 VanDerWaalsContact O-CE 3.29Å; I299-K305 WeakPolarHBondContact O-CE 3.41Å; I299-F308 HydrophobicContact CD1-CD2 3.6Å; I299-F308 HydrophobicContact CD1-CE1 4.5Å; I299-F308 HydrophobicContact CD1-CE2 3.33Å; I299-F308 HydrophobicContact CD1-CG 4.35Å; I299-F308 HydrophobicContact CD1-CZ 3.83Å; I299-F308 HydrophobicContact CG1-CD2 3.94Å; I299-F308 HydrophobicContact CG1-CE2 4.17Å; I299-F308 HydrophobicContact CG1-CG 4.36Å; I299-F308 HydrophobicContact CG2-CD2 4.09Å; I299-Y316 HydrophobicContact CB-CD2 3.99Å; I299-Y316 HydrophobicContact CB-CG 4.29Å; I299-Y316 HydrophobicContact CG1-CD2 4.43Å; I299-Y316 HydrophobicContact CG1-CG 4.27Å; I299-Y316 HydrophobicContact CG2-CD2 4.4Å; I299-I317 PolarHBondContact N-O 2.92Å; I299-T318 WeakPolarHBondContact O-CB 3.48Å; I299-T318 PolarHBondContact O-OG1 2.88Å
300N96.3Very high95.3Very high2 Ų240.1 Ų40.11%0.01119%0.192CC..  trans-106.2-21.4-169.4-71.6-15.3000114.5T298 K305 T318 D319 D324 C325 E326 P327T298-N300 WeakPolarHBondContact CG2-OD1 3.47Å; N300-K305 WeakPolarHBondContact O-CE 3.49Å; N300-K305 PolarHBondContact O-NZ 2.85Å; N300-K305 VanDerWaalsContact O-NZ 3.09Å; N300-T318 PolarHBondContact OD1-OG1 3.45Å; N300-D319 PolarHBondContact ND2-OD2 3.46Å; N300-D319 WeakPolarHBondContact OD1-CB 3.35Å; N300-D319 PolarHBondContact OD1-N 3.44Å; N300-D324 WeakPolarHBondContact O-CA 3.42Å; N300-C325 WeakPolarHBondContact CB-O 3.37Å; N300-C325 VanDerWaalsContact CB-SG 3.59Å; N300-E326 PolarHBondContact ND2-O 3.37Å; N300-P327 WeakPolarHBondContact ND2-CA 3.4Å
301T96.4Very high95.4Very high47 Ų4742.7 Ų42.729%0.28821%0.21SC..SBendtrans-90.9145.9179.768.50000112L303 E304 K305 D324T301-L303 VanDerWaalsContact C-N 3.27Å; T301-L303 PolarHBondContact O-N 2.94Å; T301-E304 PolarHBondContact N-OE2 3.36Å; T301-E304 PolarHBondContact O-N 2.93Å; T301-E304 VanDerWaalsContact O-N 3.16Å; T301-E304 WeakPolarHBondContact OG1-CB 3.13Å; T301-E304 VanDerWaalsContact OG1-CD 3.23Å; T301-E304 WeakPolarHBondContact OG1-CG 3.34Å; T301-E304 PolarHBondContact OG1-N 3Å; T301-E304 PolarHBondContact OG1-OE2 3.2Å; T301-K305 VanDerWaalsContact O-CG 3.3Å; T301-K305 WeakPolarHBondContact O-CG 3.42Å; T301-K305 PolarHBondContact O-N 3.3Å; T301-D324 WeakPolarHBondContact CA-OD1 3.2Å
302K95.6Very high95.4Very high135 Ų13542.8 Ų42.859%0.58721%0.208SC*.Hα-helixtrans-54.8-44.2176.8-176.7-177.8175.8-170.50112.1E304 K305 D306 D324K302-E304 VanDerWaalsContact C-N 3.31Å; K302-E304 PolarHBondContact O-N 3.23Å; K302-K305 PolarHBondContact O-N 3.33Å; K302-D306 WeakPolarHBondContact O-CB 3.23Å; K302-D306 VanDerWaalsContact O-CG 3.26Å; K302-D306 PolarHBondContact O-N 2.61Å; K302-D324 PolarHBondContact N-OD1 3.23Å
303L95.9Very high95.3Very high140 Ų14049.3 Ų49.373%0.73324%0.238SC*.Hα-helixtrans-59-43.6179.4179.664.8000111.8T301 Y307T301-L303 VanDerWaalsContact C-N 3.27Å; T301-L303 PolarHBondContact O-N 2.94Å; L303-Y307 WeakPolarHBondContact O-CB 3.5Å; L303-Y307 PolarHBondContact O-N 3.05Å
304E95.6Very high95.3Very high47 Ų4748.6 Ų48.622%0.2224%0.235CC..Hα-helixtrans-69.1-42.4176.6-65.7170134.700111.2K276 I299 T301 K302 D306 Y307 F308K276-E304 WeakPolarHBondContact CE-OE1 3.37Å; K276-E304 IonicContact NZ-OE1 3.79Å; K276-E304 PolarHBondContact NZ-OE1 3Å; K276-E304 IonicContact NZ-OE2 3.52Å; K276-E304 PolarHBondContact NZ-OE2 3.17Å; I299-E304 HydrophobicContact CG2-CB 3.49Å; I299-E304 VanDerWaalsContact CG2-CB 3.49Å; T301-E304 PolarHBondContact N-OE2 3.36Å; T301-E304 PolarHBondContact O-N 2.93Å; T301-E304 VanDerWaalsContact O-N 3.16Å; T301-E304 WeakPolarHBondContact OG1-CB 3.13Å; T301-E304 VanDerWaalsContact OG1-CD 3.23Å; T301-E304 WeakPolarHBondContact OG1-CG 3.34Å; T301-E304 PolarHBondContact OG1-N 3Å; T301-E304 PolarHBondContact OG1-OE2 3.2Å; K302-E304 VanDerWaalsContact C-N 3.31Å; K302-E304 PolarHBondContact O-N 3.23Å; E304-D306 VanDerWaalsContact C-N 3.31Å; E304-D306 PolarHBondContact O-N 2.97Å; E304-Y307 WeakPolarHBondContact O-CB 3.26Å; E304-Y307 PolarHBondContact O-N 3.22Å; E304-Y307 VanDerWaalsContact O-N 3.12Å; E304-F308 HydrophobicContact CB-CD2 4.5Å; E304-F308 VanDerWaalsContact O-CD2 3.25Å; E304-F308 WeakPolarHBondContact O-CD2 3.42Å; E304-F308 PolarHBondContact O-N 3.41Å
305K95.9Very high95.2Very high18 Ų1848.7 Ų48.78%0.07824%0.235CC..Hα-helixtrans-55.5-47.4176.4-67.8168-178.31620110.9I299 N300 T301 K302 F308 Q309 Y316 T318 S320 E323I299-K305 HydrophobicContact CG2-CB 4.44Å; I299-K305 HydrophobicContact CG2-CG 3.81Å; I299-K305 VanDerWaalsContact O-CE 3.29Å; I299-K305 WeakPolarHBondContact O-CE 3.41Å; N300-K305 WeakPolarHBondContact O-CE 3.49Å; N300-K305 PolarHBondContact O-NZ 2.85Å; N300-K305 VanDerWaalsContact O-NZ 3.09Å; T301-K305 VanDerWaalsContact O-CG 3.3Å; T301-K305 WeakPolarHBondContact O-CG 3.42Å; T301-K305 PolarHBondContact O-N 3.3Å; K302-K305 PolarHBondContact O-N 3.33Å; K305-F308 PolarHBondContact O-N 3.35Å; K305-Q309 VanDerWaalsContact O-CB 3.22Å; K305-Q309 WeakPolarHBondContact O-CB 3.19Å; K305-Q309 PolarHBondContact O-N 2.87Å; K305-Y316 HydrophobicContact CB-CE2 4.33Å; K305-Y316 HydrophobicContact CD-CE2 4.41Å; K305-Y316 HydrophobicContact CG-CD2 4.46Å; K305-Y316 HydrophobicContact CG-CE2 3.8Å; K305-T318 VanDerWaalsContact CE-OG1 3.3Å; K305-T318 WeakPolarHBondContact CE-OG1 3.24Å; K305-S320 WeakPolarHBondContact CE-O 3.25Å; K305-S320 PolarHBondContact NZ-O 3.46Å; K305-E323 PolarHBondContact NZ-O 3.48Å
306D95.1Very high95.2Very high56 Ų5649.4 Ų49.430%0.29924%0.238SC..Hα-helixtrans-61.9-43.4176.9-66.1-14.9000110.6K302 E304 Q309 E310K302-D306 WeakPolarHBondContact O-CB 3.23Å; K302-D306 VanDerWaalsContact O-CG 3.26Å; K302-D306 PolarHBondContact O-N 2.61Å; E304-D306 VanDerWaalsContact C-N 3.31Å; E304-D306 PolarHBondContact O-N 2.97Å; D306-Q309 PolarHBondContact O-N 3.02Å; D306-E310 WeakPolarHBondContact O-CA 3.26Å; D306-E310 VanDerWaalsContact O-CB 3.23Å; D306-E310 WeakPolarHBondContact O-CB 3.13Å; D306-E310 WeakPolarHBondContact O-CG 3.36Å; D306-E310 PolarHBondContact O-N 2.91Å
307Y95.4Very high95.2Very high102 Ų10249.6 Ų49.640%0.424%0.239SC..Iπ-helixtrans-60-50175.8175.8-104.1000113L303 E304 Q309 V311 L312L303-Y307 WeakPolarHBondContact O-CB 3.5Å; L303-Y307 PolarHBondContact O-N 3.05Å; E304-Y307 WeakPolarHBondContact O-CB 3.26Å; E304-Y307 PolarHBondContact O-N 3.22Å; E304-Y307 VanDerWaalsContact O-N 3.12Å; Y307-Q309 VanDerWaalsContact C-N 3.34Å; Y307-Q309 PolarHBondContact O-N 3.45Å; Y307-V311 HydrophobicContact CD2-CB 3.92Å; Y307-V311 HydrophobicContact CD2-CG1 4.24Å; Y307-V311 HydrophobicContact CD2-CG2 3.98Å; Y307-V311 HydrophobicContact CE2-CB 4.11Å; Y307-V311 HydrophobicContact CE2-CG1 3.95Å; Y307-V311 WeakPolarHBondContact O-CA 3.4Å; Y307-V311 VanDerWaalsContact O-CB 3.25Å; Y307-V311 WeakPolarHBondContact O-CB 3.31Å; Y307-V311 PolarHBondContact O-N 3.36Å; Y307-L312 HydrophobicContact CD1-CD1 4.13Å; Y307-L312 HydrophobicContact CD1-CG 4.36Å; Y307-L312 HydrophobicContact CE1-CD1 3.44Å; Y307-L312 VanDerWaalsContact CE1-CD1 3.44Å; Y307-L312 HydrophobicContact CE1-CD2 4.43Å; Y307-L312 HydrophobicContact CE1-CG 3.78Å; Y307-L312 PolarHBondContact O-N 2.93Å; Y307-L312 VanDerWaalsContact O-N 3.09Å
308F95.2Very high95.3Very high7 Ų747.9 Ų47.93%0.03123%0.233CC..Iπ-helixtrans-66.7-36.2-178.6-82.6-82.8000112.4K276 V279 A296 I299 E304 K305 L312 H313 I314 Y316K276-F308 HydrophobicContact CB-CE2 4.16Å; K276-F308 HydrophobicContact CB-CZ 3.87Å; V279-F308 HydrophobicContact CB-CE1 3.81Å; V279-F308 HydrophobicContact CB-CZ 4.19Å; V279-F308 HydrophobicContact CG1-CE1 3.94Å; V279-F308 HydrophobicContact CG2-CE1 4.19Å; A296-F308 HydrophobicContact CB-CD1 3.57Å; A296-F308 HydrophobicContact CB-CE1 3.25Å; A296-F308 HydrophobicContact CB-CG 4.41Å; A296-F308 HydrophobicContact CB-CZ 3.9Å; I299-F308 HydrophobicContact CD1-CD2 3.6Å; I299-F308 HydrophobicContact CD1-CE1 4.5Å; I299-F308 HydrophobicContact CD1-CE2 3.33Å; I299-F308 HydrophobicContact CD1-CG 4.35Å; I299-F308 HydrophobicContact CD1-CZ 3.83Å; I299-F308 HydrophobicContact CG1-CD2 3.94Å; I299-F308 HydrophobicContact CG1-CE2 4.17Å; I299-F308 HydrophobicContact CG1-CG 4.36Å; I299-F308 HydrophobicContact CG2-CD2 4.09Å; E304-F308 HydrophobicContact CB-CD2 4.5Å; E304-F308 VanDerWaalsContact O-CD2 3.25Å; E304-F308 WeakPolarHBondContact O-CD2 3.42Å; E304-F308 PolarHBondContact O-N 3.41Å; K305-F308 PolarHBondContact O-N 3.35Å; F308-L312 HydrophobicContact CD1-CD1 3.75Å; F308-L312 HydrophobicContact CE1-CD1 3.7Å; F308-L312 HydrophobicContact CG-CD1 4.5Å; F308-L312 HydrophobicContact CZ-CD1 4.41Å; F308-H313 PolarHBondContact O-N 2.83Å; F308-I314 HydrophobicContact CD1-CD1 3.72Å; F308-I314 HydrophobicContact CD1-CG1 3.76Å; F308-I314 HydrophobicContact CE1-CD1 4Å; F308-I314 PolarHBondContact O-N 2.7Å; F308-I314 VanDerWaalsContact O-N 3.09Å; F308-Y316 HydrophobicContact CB-CD1 4.2Å
309Q92.8Very high95.4Very high50 Ų5047.1 Ų47.123%0.23423%0.228CC..Iπ-helixtrans-81.1-47.2-178.3-175.1173.9-58.400113.3A63 K305 D306 Y307 H313 Y316A63-Q309 HydrophobicContact CB-CB 4.48Å; A63-Q309 HydrophobicContact CB-CG 4.12Å; K305-Q309 VanDerWaalsContact O-CB 3.22Å; K305-Q309 WeakPolarHBondContact O-CB 3.19Å; K305-Q309 PolarHBondContact O-N 2.87Å; D306-Q309 PolarHBondContact O-N 3.02Å; Y307-Q309 VanDerWaalsContact C-N 3.34Å; Y307-Q309 PolarHBondContact O-N 3.45Å; Q309-H313 PolarHBondContact O-ND1 3.02Å; Q309-Y316 HydrophobicContact CB-CE1 4.24Å
310E92Very high95.5Very high126 Ų12647.1 Ų47.159%0.58923%0.228SC*.Iπ-helixtrans-94.4-25.8-170-55.9-170.2162.800113.4D306 H313D306-E310 WeakPolarHBondContact O-CA 3.26Å; D306-E310 VanDerWaalsContact O-CB 3.23Å; D306-E310 WeakPolarHBondContact O-CB 3.13Å; D306-E310 WeakPolarHBondContact O-CG 3.36Å; D306-E310 PolarHBondContact O-N 2.91Å; E310-H313 PolarHBondContact O-CE1 3.27Å
311V93.7Very high95.5Very high75 Ų7548.8 Ų48.846%0.45524%0.237SC..Iπ-helixtrans-103.8-51.2-178.9-174.90000111.4Y307Y307-V311 HydrophobicContact CD2-CB 3.92Å; Y307-V311 HydrophobicContact CD2-CG1 4.24Å; Y307-V311 HydrophobicContact CD2-CG2 3.98Å; Y307-V311 HydrophobicContact CE2-CB 4.11Å; Y307-V311 HydrophobicContact CE2-CG1 3.95Å; Y307-V311 WeakPolarHBondContact O-CA 3.4Å; Y307-V311 VanDerWaalsContact O-CB 3.25Å; Y307-V311 WeakPolarHBondContact O-CB 3.31Å; Y307-V311 PolarHBondContact O-N 3.36Å
312L94.8Very high95.4Very high11 Ų1151 Ų516%0.05825%0.25CC..SBendtrans-85.2-21.9-178.1-63.6-174.6000113.3V279 Q281 Y307 F308 I314V279-L312 HydrophobicContact CG1-CD1 3.89Å; Q281-L312 HydrophobicContact CB-CD2 3.93Å; Y307-L312 HydrophobicContact CD1-CD1 4.13Å; Y307-L312 HydrophobicContact CD1-CG 4.36Å; Y307-L312 HydrophobicContact CE1-CD1 3.44Å; Y307-L312 VanDerWaalsContact CE1-CD1 3.44Å; Y307-L312 HydrophobicContact CE1-CD2 4.43Å; Y307-L312 HydrophobicContact CE1-CG 3.78Å; Y307-L312 PolarHBondContact O-N 2.93Å; Y307-L312 VanDerWaalsContact O-N 3.09Å; F308-L312 HydrophobicContact CD1-CD1 3.75Å; F308-L312 HydrophobicContact CE1-CD1 3.7Å; F308-L312 HydrophobicContact CG-CD1 4.5Å; F308-L312 HydrophobicContact CZ-CD1 4.41Å; L312-I314 VanDerWaalsContact C-N 3.25Å; L312-I314 HydrophobicContact CB-CG1 4.07Å; L312-I314 HydrophobicContact CD1-CD1 4.48Å; L312-I314 WeakPolarHBondContact O-CG2 2.99Å; L312-I314 PolarHBondContact O-N 3.38Å
313H93.7Very high95.4Very high136 Ų13648.6 Ų48.663%0.6324%0.241SC*.  trans53.241.5-176.3-55.2-55.1000113.3F308 Q309 E310F308-H313 PolarHBondContact O-N 2.83Å; Q309-H313 PolarHBondContact O-ND1 3.02Å; E310-H313 PolarHBondContact O-CE1 3.27Å
314I94.9Very high95.4Very high10 Ų1046.2 Ų46.25%0.05123%0.229CC..  trans-121.5155.8177.168.4169.2000111.7A63 V279 V284 V294 A296 F308 L312A63-I314 WeakPolarHBondContact CB-O 3.18Å; V279-I314 HydrophobicContact CG1-CD1 3.7Å; V284-I314 HydrophobicContact CB-CG2 4.33Å; V284-I314 HydrophobicContact CG1-CG2 3.58Å; V284-I314 HydrophobicContact CG2-CD1 4.04Å; V284-I314 HydrophobicContact CG2-CG2 3.72Å; V294-I314 HydrophobicContact CB-CD1 4.42Å; V294-I314 HydrophobicContact CG1-CD1 3.99Å; A296-I314 HydrophobicContact CB-CD1 4.16Å; F308-I314 HydrophobicContact CD1-CD1 3.72Å; F308-I314 HydrophobicContact CD1-CG1 3.76Å; F308-I314 HydrophobicContact CE1-CD1 4Å; F308-I314 PolarHBondContact O-N 2.7Å; F308-I314 VanDerWaalsContact O-N 3.09Å; L312-I314 VanDerWaalsContact C-N 3.25Å; L312-I314 HydrophobicContact CB-CG1 4.07Å; L312-I314 HydrophobicContact CD1-CD1 4.48Å; L312-I314 WeakPolarHBondContact O-CG2 2.99Å; L312-I314 PolarHBondContact O-N 3.38Å
315N96.1Very high95.3Very high5 Ų544.8 Ų44.83%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-67150.9176.1-62.6-16.9000111.5L56 N57 S64 I66 V295 A296L56-N315 PolarHBondContact O-ND2 3.33Å; N57-N315 PolarHBondContact OD1-OD1 3.1Å; N57-N315 VanDerWaalsContact OD1-OD1 3.12Å; S64-N315 WeakPolarHBondContact CB-OD1 3.26Å; S64-N315 PolarHBondContact N-OD1 3.35Å; S64-N315 WeakPolarHBondContact O-CA 3.46Å; I66-N315 HydrophobicContact CD1-CB 3.78Å; V295-N315 WeakPolarHBondContact CA-O 3.43Å; V295-N315 HydrophobicContact CB-CB 4.48Å; V295-N315 HydrophobicContact CG1-CB 4.05Å; V295-N315 HydrophobicContact CG2-CB 4.11Å; A296-N315 PolarHBondContact N-O 3.44Å
316Y96.9Very high94.9Very high16 Ų1651.3 Ų51.36%0.06326%0.255CS..EExtended strand (participates in β ladder)trans-139.8150.2176.462.2-91000112.6S64 A65 I66 A296 I299 K305 F308 Q309 T318S64-Y316 PolarHBondContact O-N 2.81Å; S64-Y316 VanDerWaalsContact O-N 3.1Å; A65-Y316 HydrophobicContact CB-CE2 3.96Å; I66-Y316 VanDerWaalsContact CD1-O 3.25Å; I66-Y316 WeakPolarHBondContact CD1-O 3.24Å; I66-Y316 PolarHBondContact N-O 2.76Å; A296-Y316 CarbonylContact O-C 3.56Å; A296-Y316 VanDerWaalsContact O-CA 3.27Å; A296-Y316 WeakPolarHBondContact O-CA 3.36Å; I299-Y316 HydrophobicContact CB-CD2 3.99Å; I299-Y316 HydrophobicContact CB-CG 4.29Å; I299-Y316 HydrophobicContact CG1-CD2 4.43Å; I299-Y316 HydrophobicContact CG1-CG 4.27Å; I299-Y316 HydrophobicContact CG2-CD2 4.4Å; K305-Y316 HydrophobicContact CB-CE2 4.33Å; K305-Y316 HydrophobicContact CD-CE2 4.41Å; K305-Y316 HydrophobicContact CG-CD2 4.46Å; K305-Y316 HydrophobicContact CG-CE2 3.8Å; F308-Y316 HydrophobicContact CB-CD1 4.2Å; Q309-Y316 HydrophobicContact CB-CE1 4.24Å; Y316-T318 HydrophobicContact CD2-CG2 4.41Å; Y316-T318 HydrophobicContact CE2-CG2 4.1Å
317I97.6Very high93.9Very high4 Ų450.4 Ų50.42%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-99133.6173.1-64.1168.6000108.4I66 H68 L273 V295 A296 W297 T298 I299I66-I317 HydrophobicContact CB-CG1 3.87Å; I66-I317 HydrophobicContact CG2-CG1 3.98Å; I66-I317 CarbonylContact O-C 3.45Å; I66-I317 VanDerWaalsContact O-CA 3.31Å; I66-I317 WeakPolarHBondContact O-CA 3.39Å; H68-I317 HydrophobicContact CB-CG2 3.45Å; H68-I317 VanDerWaalsContact CB-CG2 3.45Å; L273-I317 HydrophobicContact CD2-CD1 3.66Å; L273-I317 HydrophobicContact CG-CD1 4.15Å; V295-I317 HydrophobicContact CG1-CD1 4.21Å; V295-I317 HydrophobicContact CG1-CG1 4.06Å; A296-I317 PolarHBondContact O-N 3.4Å; W297-I317 HydrophobicContact CB-CB 3.85Å; W297-I317 HydrophobicContact CB-CD1 4.17Å; W297-I317 HydrophobicContact CB-CG1 4.47Å; W297-I317 HydrophobicContact CB-CG2 4.4Å; T298-I317 CarbonylContact C-O 3.54Å; T298-I317 WeakPolarHBondContact CA-O 3.37Å; I299-I317 PolarHBondContact N-O 2.92Å
318T97.6Very high92.6Very high0 Ų050 Ų500%025%0.253CS..EExtended strand (participates in β ladder)trans-137.5143.1-177-178.60000111.9I66 H68 I299 N300 K305 Y316 S320 L321I66-T318 PolarHBondContact O-N 3.26Å; H68-T318 VanDerWaalsContact CB-O 3.28Å; H68-T318 WeakPolarHBondContact CB-O 3.46Å; H68-T318 PolarHBondContact N-O 3.49Å; I299-T318 WeakPolarHBondContact O-CB 3.48Å; I299-T318 PolarHBondContact O-OG1 2.88Å; N300-T318 PolarHBondContact OD1-OG1 3.45Å; K305-T318 VanDerWaalsContact CE-OG1 3.3Å; K305-T318 WeakPolarHBondContact CE-OG1 3.24Å; Y316-T318 HydrophobicContact CD2-CG2 4.41Å; Y316-T318 HydrophobicContact CE2-CG2 4.1Å; T318-S320 VanDerWaalsContact C-N 3.33Å; T318-S320 WeakPolarHBondContact CG2-O 3.36Å; T318-S320 PolarHBondContact OG1-N 2.91Å; T318-S320 PolarHBondContact OG1-O 3Å; T318-L321 HydrophobicContact CG2-CD1 4.39Å; T318-L321 HydrophobicContact CG2-CG 4.12Å
319D97Very high90.5Very high3 Ų358.3 Ų58.32%0.01629%0.285CS..SBendtrans-71.6-29.3173.4-71.5-49.2000112.2H68 G71 G72 H73 T298 N300 H328H68-D319 IonicContact CE1-OD1 2.71Å; H68-D319 IonicContact CG-OD1 3.47Å; H68-D319 IonicContact ND1-OD1 3.46Å; H68-D319 PolarHBondContact ND1-OD1 2.86Å; G71-D319 CarbonylContact C-O 3.58Å; G71-D319 VanDerWaalsContact CA-O 3.3Å; G71-D319 WeakPolarHBondContact CA-O 3.33Å; G72-D319 PolarHBondContact N-O 2.82Å; H73-D319 HydrophobicContact CB-CB 4.12Å; H73-D319 WeakPolarHBondContact CB-O 3.5Å; H73-D319 PolarHBondContact N-O 2.84Å; T298-D319 WeakPolarHBondContact CG2-OD2 3.33Å; N300-D319 PolarHBondContact ND2-OD2 3.46Å; N300-D319 WeakPolarHBondContact OD1-CB 3.35Å; N300-D319 PolarHBondContact OD1-N 3.44Å; D319-H328 IonicContact OD2-CD2 3.49Å
320S96.7Very high90.4Very high0 Ų058.7 Ų58.70%029%0.288CS..  trans-134.9136.7178.8-1740000112.1D74 K305 T318 V322 E323D74-S320 WeakPolarHBondContact OD1-CA 3.49Å; D74-S320 VanDerWaalsContact OD1-CB 3.29Å; D74-S320 WeakPolarHBondContact OD1-CB 3.3Å; D74-S320 PolarHBondContact OD1-OG 2.88Å; K305-S320 WeakPolarHBondContact CE-O 3.25Å; K305-S320 PolarHBondContact NZ-O 3.46Å; T318-S320 VanDerWaalsContact C-N 3.33Å; T318-S320 WeakPolarHBondContact CG2-O 3.36Å; T318-S320 PolarHBondContact OG1-N 2.91Å; T318-S320 PolarHBondContact OG1-O 3Å; S320-V322 PolarHBondContact OG-N 3.46Å; S320-E323 VanDerWaalsContact CB-O 3.31Å; S320-E323 WeakPolarHBondContact CB-O 3.28Å; S320-E323 PolarHBondContact OG-N 2.92Å; S320-E323 VanDerWaalsContact OG-N 3.1Å; S320-E323 PolarHBondContact OG-O 3.34Å
321L95.9Very high90.3Very high37 Ų3755.2 Ų55.219%0.19427%0.272CS..SBendtrans-91.9-18.5170.2-74.4100.5000112.9A65 A67 D74 N89 A91 T318A65-L321 HydrophobicContact CB-CD2 4.16Å; A67-L321 HydrophobicContact CB-CD1 3.65Å; D74-L321 PolarHBondContact OD2-N 2.69Å; N89-L321 HydrophobicContact CB-CB 3.72Å; N89-L321 HydrophobicContact CB-CD1 4.45Å; N89-L321 HydrophobicContact CB-CD2 4.37Å; N89-L321 HydrophobicContact CB-CG 4.4Å; A91-L321 HydrophobicContact CB-CD1 4.19Å; A91-L321 HydrophobicContact CB-CD2 3.6Å; T318-L321 HydrophobicContact CG2-CD1 4.39Å; T318-L321 HydrophobicContact CG2-CG 4.12Å
322V95.6Very high90.1Very high93 Ų9354.1 Ų54.156%0.56426%0.262SS*.SBendtrans-108.3-23.4-168.1-61.80000114.1D74 N89 S320D74-V322 WeakPolarHBondContact OD1-CG2 3.34Å; N89-V322 HydrophobicContact CB-CG1 4.05Å; S320-V322 PolarHBondContact OG-N 3.46Å
323E94.6Very high89.8Confident85 Ų8556.6 Ų56.640%0.39727%0.274SS..SBendtrans-144.7171.9-179.865.2-175.2-164.300112.9H73 R142 K305 S320H73-E323 IonicContact CD2-OE1 3.25Å; H73-E323 PolarHBondContact CD2-OE1 2.71Å; H73-E323 IonicContact CE1-OE1 3.52Å; H73-E323 IonicContact NE2-OE1 3.92Å; H73-E323 PolarHBondContact NE2-OE1 2.96Å; R142-E323 IonicContact CZ-OE1 3.96Å; R142-E323 IonicContact NH2-OE1 3.82Å; R142-E323 PolarHBondContact NH2-OE1 3.27Å; K305-E323 PolarHBondContact NZ-O 3.48Å; S320-E323 VanDerWaalsContact CB-O 3.31Å; S320-E323 WeakPolarHBondContact CB-O 3.28Å; S320-E323 PolarHBondContact OG-N 2.92Å; S320-E323 VanDerWaalsContact OG-N 3.1Å; S320-E323 PolarHBondContact OG-O 3.34Å
324D96.6Very high89.6Confident90 Ų9051.6 Ų51.648%0.48125%0.252SS..  trans-80.6142.5172-72.94.4000109.6N300 T301 K302N300-D324 WeakPolarHBondContact O-CA 3.42Å; T301-D324 WeakPolarHBondContact CA-OD1 3.2Å; K302-D324 PolarHBondContact N-OD1 3.23Å
325C93.4Very high89.2Confident16 Ų1654.4 Ų54.411%0.10827%0.265CS..  trans-148.6156.7179.151.30000112.1H73 N300H73-C325 WeakPolarHBondContact CE1-CB 3.33Å; H73-C325 WeakPolarHBondContact NE2-CB 3.21Å; N300-C325 WeakPolarHBondContact CB-O 3.37Å; N300-C325 VanDerWaalsContact CB-SG 3.59Å
326E86.8Confident88.8Confident156 Ų15657.9 Ų57.973%0.72928%0.282SS*.  trans-69.2146172-68.3-59.8148.500110N300 H328N300-E326 PolarHBondContact ND2-O 3.37Å; E326-H328 PolarHBondContact O-N 2.92Å
327P74.1Confident88.1Confident36 Ų3661.2 Ų61.223%0.23430%0.299CS..  trans-63133.4175.525.3-31.7000111.3N300 Y329N300-P327 WeakPolarHBondContact ND2-CA 3.4Å; P327-Y329 HydrophobicContact CB-CE1 4.41Å; P327-Y329 HydrophobicContact CB-CE2 4.12Å; P327-Y329 HydrophobicContact CG-CE2 3.68Å
328H68.3Low87.3Confident95 Ų9565.9 Ų65.944%0.4432%0.322SS..  trans-89.8108.1168.4-67.7-61.5000109.3D319 E326D319-H328 IonicContact OD2-CD2 3.49Å; E326-H328 PolarHBondContact O-N 2.92Å
329Y51.5Low86.4Confident180 Ų18071.9 Ų71.971%0.70635%0.352SS*.  trans-85.30-178.8-68-69.6000114.2G233 P327G233-Y329 VanDerWaalsContact C-CE1 3.43Å; G233-Y329 WeakPolarHBondContact O-CE1 3.35Å; P327-Y329 HydrophobicContact CB-CE1 4.41Å; P327-Y329 HydrophobicContact CB-CE2 4.12Å; P327-Y329 HydrophobicContact CG-CE2 3.68Å

Retrieved 329 of 329 residues in 877 ms (Link to these results)

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