A0A077ZLW2_TRITR Loading...

Integrase zinc-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZLW2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 163 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
1M71.6Confident84Confident94 Ų9477.9 Ų77.946%0.46338%0.382SS..  0-60.80-75.1-172.2-173.900113.6Q5 M70 V94M1-Q5 WeakPolarHBondContact O-CB 3.45Å; M1-Q5 PolarHBondContact O-N 2.74Å; M1-M70 HydrophobicContact CE-CE 3.23Å; M1-M70 HydrophobicContact CE-SD 3.6Å; M1-M70 VanDerWaalsContact CE-SD 3.6Å; M1-V94 HydrophobicContact CE-CG2 4.24Å
2R77.8Confident84.5Confident100 Ų10074.1 Ų74.138%0.37736%0.363SS..Hα-helixtrans-68.9-41.3-174.1-169.9175.9171-157.8-6.5114.2Q5 R6 L40R2-Q5 PolarHBondContact O-N 3.45Å; R2-R6 PolarHBondContact O-N 3.01Å; R2-R6 VanDerWaalsContact O-N 3.13Å; R2-L40 HydrophobicContact CB-CD2 3.77Å; R2-L40 HydrophobicContact CG-CD2 4.15Å
3S83.4Confident85Confident81 Ų8169.5 Ų69.557%0.56634%0.341SS*.Hα-helixtrans-57.4-51.9174.946.60000111Q5 R6 V7S3-Q5 PolarHBondContact O-N 3Å; S3-R6 WeakPolarHBondContact O-CB 3.36Å; S3-R6 PolarHBondContact O-N 3.46Å; S3-R6 VanDerWaalsContact O-N 3.1Å; S3-V7 WeakPolarHBondContact O-CG2 3.34Å; S3-V7 PolarHBondContact O-N 3.18Å
4E82.9Confident85.4Confident66 Ų6672.3 Ų72.331%0.30835%0.353SS..Hα-helixtrans-60.4-42.6178.7-64.8-71.2142.400112.7R6 V7 Y8 V66E4-R6 VanDerWaalsContact C-N 3.29Å; E4-R6 PolarHBondContact O-N 2.73Å; E4-V7 PolarHBondContact O-N 3.07Å; E4-Y8 WeakPolarHBondContact O-CD2 3.18Å; E4-Y8 PolarHBondContact O-N 3.37Å; E4-Y8 VanDerWaalsContact O-N 3.08Å; E4-Y8 VanDerWaalsContact OE2-CE2 3.23Å; E4-Y8 WeakPolarHBondContact OE2-CE2 3.47Å; E4-V66 HydrophobicContact CB-CG2 3.48Å; E4-V66 VanDerWaalsContact CB-CG2 3.48Å; E4-V66 HydrophobicContact CG-CG2 3.36Å; E4-V66 WeakPolarHBondContact OE2-CG2 3.35Å
5Q85.8Confident85.8Confident1 Ų168.9 Ų68.91%0.00534%0.341CS..Hα-helixtrans-56.3-44.6173.4-90.8-167.9-25.800111.6M1 R2 S3 Y8 F9 I13 M41 S61M1-Q5 WeakPolarHBondContact O-CB 3.45Å; M1-Q5 PolarHBondContact O-N 2.74Å; R2-Q5 PolarHBondContact O-N 3.45Å; S3-Q5 PolarHBondContact O-N 3Å; Q5-Y8 PolarHBondContact O-N 3.22Å; Q5-F9 HydrophobicContact CG-CD2 4.35Å; Q5-F9 CarbonylContact O-C 3.55Å; Q5-F9 WeakPolarHBondContact O-CA 3.17Å; Q5-F9 WeakPolarHBondContact O-CB 3.37Å; Q5-F9 PolarHBondContact O-N 3.36Å; Q5-I13 VanDerWaalsContact C-CD1 3.42Å; Q5-I13 HydrophobicContact CB-CD1 3.9Å; Q5-I13 VanDerWaalsContact O-CD1 3.26Å; Q5-I13 WeakPolarHBondContact O-CD1 3.34Å; Q5-M41 PolarHBondContact NE2-O 3.03Å; Q5-S61 WeakPolarHBondContact CG-O 3.35Å; Q5-S61 PolarHBondContact NE2-O 2.88Å
6R85.6Confident86.1Confident130 Ų13066.4 Ų66.449%0.49133%0.329SS..Hα-helixtrans-63.9-39.4176.2-93-179.1168.8151-10.6113.3R2 S3 E4 Y8 G10 I13R2-R6 PolarHBondContact O-N 3.01Å; R2-R6 VanDerWaalsContact O-N 3.13Å; S3-R6 WeakPolarHBondContact O-CB 3.36Å; S3-R6 PolarHBondContact O-N 3.46Å; S3-R6 VanDerWaalsContact O-N 3.1Å; E4-R6 VanDerWaalsContact C-N 3.29Å; E4-R6 PolarHBondContact O-N 2.73Å; R6-Y8 VanDerWaalsContact C-N 3.27Å; R6-Y8 PolarHBondContact O-N 2.7Å; R6-G10 WeakPolarHBondContact O-CA 3.31Å; R6-G10 PolarHBondContact O-N 2.96Å; R6-G10 VanDerWaalsContact O-N 3.17Å; R6-I13 HydrophobicContact CG-CD1 4.14Å; R6-I13 HydrophobicContact CG-CG2 4.48Å
7V86.4Confident86.4Confident104 Ų10467 Ų6763%0.6334%0.341SS*.Hα-helixtrans-62.4-38.2178.5172.80000111S3 E4S3-V7 WeakPolarHBondContact O-CG2 3.34Å; S3-V7 PolarHBondContact O-N 3.18Å; E4-V7 PolarHBondContact O-N 3.07Å
8Y84.9Confident86.6Confident86 Ų8672.6 Ų72.634%0.33736%0.357SS..Hα-helixtrans-105.7-27.8-169.8-68-53.5000116.4E4 Q5 R6 K63 S65E4-Y8 WeakPolarHBondContact O-CD2 3.18Å; E4-Y8 PolarHBondContact O-N 3.37Å; E4-Y8 VanDerWaalsContact O-N 3.08Å; E4-Y8 VanDerWaalsContact OE2-CE2 3.23Å; E4-Y8 WeakPolarHBondContact OE2-CE2 3.47Å; Q5-Y8 PolarHBondContact O-N 3.22Å; R6-Y8 VanDerWaalsContact C-N 3.27Å; R6-Y8 PolarHBondContact O-N 2.7Å; Y8-K63 HydrophobicContact CD1-CD 3.15Å; Y8-K63 HydrophobicContact CD1-CG 4.49Å; Y8-K63 HydrophobicContact CD2-CB 3.7Å; Y8-K63 HydrophobicContact CD2-CD 3.59Å; Y8-K63 HydrophobicContact CD2-CG 4.24Å; Y8-K63 HydrophobicContact CE1-CD 3.54Å; Y8-K63 HydrophobicContact CE2-CB 4.31Å; Y8-K63 HydrophobicContact CE2-CD 3.95Å; Y8-K63 HydrophobicContact CG-CB 3.92Å; Y8-K63 HydrophobicContact CG-CD 3.15Å; Y8-K63 HydrophobicContact CG-CG 4.14Å; Y8-S65 WeakPolarHBondContact CE2-OG 3.25Å; Y8-S65 PolarHBondContact OH-OG 3.13Å
9F87.2Confident86.3Confident12 Ų1274.8 Ų74.85%0.05338%0.381CS..SBendtrans-119.431.1178.8-55-65.3000109.8Q5 Q11 E12 I13 L28 M41 K63 I97Q5-F9 HydrophobicContact CG-CD2 4.35Å; Q5-F9 CarbonylContact O-C 3.55Å; Q5-F9 WeakPolarHBondContact O-CA 3.17Å; Q5-F9 WeakPolarHBondContact O-CB 3.37Å; Q5-F9 PolarHBondContact O-N 3.36Å; F9-Q11 VanDerWaalsContact C-N 3.31Å; F9-Q11 PolarHBondContact O-N 3.35Å; F9-E12 VanDerWaalsContact CA-OE2 3.29Å; F9-E12 WeakPolarHBondContact CA-OE2 3.26Å; F9-E12 HydrophobicContact CB-CB 4.31Å; F9-E12 PolarHBondContact O-N 3.05Å; F9-I13 HydrophobicContact CB-CD1 4.16Å; F9-I13 HydrophobicContact CB-CG1 4.38Å; F9-I13 VanDerWaalsContact O-CB 3.32Å; F9-I13 WeakPolarHBondContact O-CB 3.45Å; F9-I13 WeakPolarHBondContact O-CD1 3.16Å; F9-I13 WeakPolarHBondContact O-CG1 3.19Å; F9-I13 PolarHBondContact O-N 2.86Å; F9-L28 HydrophobicContact CD1-CD1 3.66Å; F9-L28 HydrophobicContact CE1-CD1 3.67Å; F9-L28 HydrophobicContact CE1-CG 4.46Å; F9-L28 HydrophobicContact CG-CD1 4.26Å; F9-L28 HydrophobicContact CZ-CD1 4.26Å; F9-M41 HydrophobicContact CB-CE 3.5Å; F9-M41 HydrophobicContact CB-SD 4.42Å; F9-M41 HydrophobicContact CD1-CE 4.02Å; F9-M41 HydrophobicContact CD2-CE 3.48Å; F9-M41 VanDerWaalsContact CD2-CE 3.48Å; F9-M41 HydrophobicContact CE2-CE 4.13Å; F9-M41 HydrophobicContact CG-CE 3.41Å; F9-M41 VanDerWaalsContact CG-CE 3.41Å; F9-K63 HydrophobicContact CE2-CB 4.28Å; F9-K63 HydrophobicContact CZ-CB 4.24Å; F9-I97 HydrophobicContact CE1-CD1 3.75Å; F9-I97 HydrophobicContact CZ-CD1 3.98Å
10G88.4Confident86Confident21 Ų2175.5 Ų75.522%0.21639%0.385CS..Hα-helixtrans-56.4-45.6-176.500000112R6 I13 E14R6-G10 WeakPolarHBondContact O-CA 3.31Å; R6-G10 PolarHBondContact O-N 2.96Å; R6-G10 VanDerWaalsContact O-N 3.17Å; G10-I13 PolarHBondContact O-N 2.92Å; G10-E14 WeakPolarHBondContact O-CB 3.42Å; G10-E14 WeakPolarHBondContact O-CG 3.41Å; G10-E14 PolarHBondContact O-N 3.11Å
11Q89.6Confident85.8Confident162 Ų16280.9 Ų80.976%0.75741%0.409SS*.Hα-helixtrans-62-46.5176.8-66.7179.61.100111.7F9 I13 E14 A15F9-Q11 VanDerWaalsContact C-N 3.31Å; F9-Q11 PolarHBondContact O-N 3.35Å; Q11-I13 PolarHBondContact O-N 3.13Å; Q11-E14 PolarHBondContact O-N 2.87Å; Q11-A15 WeakPolarHBondContact O-CB 3.5Å; Q11-A15 PolarHBondContact O-N 3.46Å
12E90.8Very high86.6Confident32 Ų3277.5 Ų77.515%0.1539%0.393CS..Hα-helixtrans-64.1-40.8177.2-69.288.1164.300112.2F9 A15 L16 L22 S26 M41F9-E12 VanDerWaalsContact CA-OE2 3.29Å; F9-E12 WeakPolarHBondContact CA-OE2 3.26Å; F9-E12 HydrophobicContact CB-CB 4.31Å; F9-E12 PolarHBondContact O-N 3.05Å; E12-A15 PolarHBondContact O-N 3.17Å; E12-L16 VanDerWaalsContact O-CB 3.31Å; E12-L16 WeakPolarHBondContact O-CB 3.43Å; E12-L16 WeakPolarHBondContact O-CG 3.5Å; E12-L16 PolarHBondContact O-N 3.1Å; E12-L22 HydrophobicContact CB-CD1 4.3Å; E12-L22 HydrophobicContact CB-CD2 3.68Å; E12-L22 HydrophobicContact CG-CD1 3.96Å; E12-L22 HydrophobicContact CG-CD2 3.8Å; E12-S26 WeakPolarHBondContact CG-OG 3.47Å; E12-S26 PolarHBondContact OE1-OG 3.31Å; E12-M41 HydrophobicContact CB-SD 4.06Å
13I90.2Very high86.9Confident15 Ų1576.2 Ų76.28%0.07740%0.399CS..Hα-helixtrans-66.9-40.2178.6-71.4164000110.5Q5 R6 F9 G10 Q11 S17 L35 M41Q5-I13 VanDerWaalsContact C-CD1 3.42Å; Q5-I13 HydrophobicContact CB-CD1 3.9Å; Q5-I13 VanDerWaalsContact O-CD1 3.26Å; Q5-I13 WeakPolarHBondContact O-CD1 3.34Å; R6-I13 HydrophobicContact CG-CD1 4.14Å; R6-I13 HydrophobicContact CG-CG2 4.48Å; F9-I13 HydrophobicContact CB-CD1 4.16Å; F9-I13 HydrophobicContact CB-CG1 4.38Å; F9-I13 VanDerWaalsContact O-CB 3.32Å; F9-I13 WeakPolarHBondContact O-CB 3.45Å; F9-I13 WeakPolarHBondContact O-CD1 3.16Å; F9-I13 WeakPolarHBondContact O-CG1 3.19Å; F9-I13 PolarHBondContact O-N 2.86Å; G10-I13 PolarHBondContact O-N 2.92Å; Q11-I13 PolarHBondContact O-N 3.13Å; I13-S17 VanDerWaalsContact O-CB 3.26Å; I13-S17 WeakPolarHBondContact O-CB 3.13Å; I13-S17 PolarHBondContact O-N 3.29Å; I13-S17 PolarHBondContact O-OG 3.48Å; I13-L35 HydrophobicContact CG1-CD2 4.46Å; I13-L35 HydrophobicContact CG2-CD1 4.38Å; I13-L35 HydrophobicContact CG2-CD2 4.33Å; I13-M41 HydrophobicContact CG1-CB 4.32Å; I13-M41 HydrophobicContact CG1-SD 4.41Å
14E91.2Very high86.9Confident108 Ų10876.2 Ų76.251%0.50541%0.412SS..Hα-helixtrans-63.8-48.3174.8-79.4-177.3-172.900111.7G10 Q11 L16 S17 R18G10-E14 WeakPolarHBondContact O-CB 3.42Å; G10-E14 WeakPolarHBondContact O-CG 3.41Å; G10-E14 PolarHBondContact O-N 3.11Å; Q11-E14 PolarHBondContact O-N 2.87Å; E14-L16 PolarHBondContact O-N 3.21Å; E14-S17 PolarHBondContact O-N 2.88Å; E14-S17 VanDerWaalsContact O-N 3.15Å; E14-S17 PolarHBondContact O-OG 2.88Å; E14-R18 PolarHBondContact O-N 3.44Å
15A91.5Very high87Confident21 Ų2178.1 Ų78.117%0.17443%0.433CS..Hα-helixtrans-58-49.3175.900000111.5Q11 E12 S17 R18 S19 D20 L22Q11-A15 WeakPolarHBondContact O-CB 3.5Å; Q11-A15 PolarHBondContact O-N 3.46Å; E12-A15 PolarHBondContact O-N 3.17Å; A15-S17 VanDerWaalsContact C-N 3.26Å; A15-S17 PolarHBondContact O-N 3.15Å; A15-R18 PolarHBondContact O-N 2.65Å; A15-R18 VanDerWaalsContact O-N 3.1Å; A15-S19 PolarHBondContact O-N 3.04Å; A15-D20 HydrophobicContact CB-CB 4.42Å; A15-D20 PolarHBondContact O-N 2.89Å; A15-L22 HydrophobicContact CB-CD2 3.88Å
16L90.7Very high87.1Confident29 Ų2978.7 Ų78.715%0.15244%0.437CS..Hα-helixtrans-63.9-30.4177.6-69172.1000112.7E12 E14 R18 S19 L22 P33 L35 M41E12-L16 VanDerWaalsContact O-CB 3.31Å; E12-L16 WeakPolarHBondContact O-CB 3.43Å; E12-L16 WeakPolarHBondContact O-CG 3.5Å; E12-L16 PolarHBondContact O-N 3.1Å; E14-L16 PolarHBondContact O-N 3.21Å; L16-R18 VanDerWaalsContact C-N 3.27Å; L16-R18 PolarHBondContact O-N 3.03Å; L16-S19 PolarHBondContact O-N 2.94Å; L16-L22 HydrophobicContact CD1-CD2 4.45Å; L16-L22 HydrophobicContact CD2-CD2 4.26Å; L16-L22 HydrophobicContact CD2-CG 4.27Å; L16-L22 HydrophobicContact CG-CD2 3.91Å; L16-L22 HydrophobicContact CG-CG 4.39Å; L16-P33 HydrophobicContact CD1-CB 4.13Å; L16-P33 HydrophobicContact CD1-CG 4.23Å; L16-P33 VanDerWaalsContact CD2-O 3.25Å; L16-P33 WeakPolarHBondContact CD2-O 3.42Å; L16-L35 HydrophobicContact CB-CD1 3.92Å; L16-L35 HydrophobicContact CB-CG 3.95Å; L16-M41 HydrophobicContact CD1-CG 3.88Å; L16-M41 HydrophobicContact CD1-SD 3.79Å
17S90.5Very high87Confident77 Ų7780.9 Ų80.954%0.53845%0.445SS..Hα-helixtrans-69.7-26176.7750000113.1I13 E14 A15 S19I13-S17 VanDerWaalsContact O-CB 3.26Å; I13-S17 WeakPolarHBondContact O-CB 3.13Å; I13-S17 PolarHBondContact O-N 3.29Å; I13-S17 PolarHBondContact O-OG 3.48Å; E14-S17 PolarHBondContact O-N 2.88Å; E14-S17 VanDerWaalsContact O-N 3.15Å; E14-S17 PolarHBondContact O-OG 2.88Å; A15-S17 VanDerWaalsContact C-N 3.26Å; A15-S17 PolarHBondContact O-N 3.15Å; S17-S19 VanDerWaalsContact C-N 3.31Å
18R89.7Confident87.1Confident167 Ų16775.9 Ų75.963%0.6342%0.415SS*.THydrogen-bonded Turntrans-88.81.8174.7-63.5179.5-168.4152.17.9113E14 A15 L16 D20E14-R18 PolarHBondContact O-N 3.44Å; A15-R18 PolarHBondContact O-N 2.65Å; A15-R18 VanDerWaalsContact O-N 3.1Å; L16-R18 VanDerWaalsContact C-N 3.27Å; L16-R18 PolarHBondContact O-N 3.03Å; R18-D20 PolarHBondContact O-N 3.17Å
19S81.1Confident87.2Confident115 Ų11573.2 Ų73.280%0.80441%0.411SS*.THydrogen-bonded Turntrans60.524.2-170-49.50000113.6A15 L16 S17A15-S19 PolarHBondContact O-N 3.04Å; L16-S19 PolarHBondContact O-N 2.94Å; S17-S19 VanDerWaalsContact C-N 3.31Å
20D80.9Confident87.2Confident89 Ų8977.8 Ų77.848%0.47644%0.442SS..PPolyproline II helixtrans-79.6154.5175-74.2-34.2000111.2A15 R18A15-D20 HydrophobicContact CB-CB 4.42Å; A15-D20 PolarHBondContact O-N 2.89Å; R18-D20 PolarHBondContact O-N 3.17Å
21Q81.7Confident87.1Confident188 Ų18880.1 Ų80.188%0.87945%0.448SS*.PPolyproline II helixtrans-69138.2166.7-74.5179.312.300109.9
22L87.9Confident87Confident23 Ų2382.4 Ų82.412%0.1245%0.45CS..PPolyproline II helixtrans-60.8145.5171-69.4-169.8000110.6E12 A15 L16 G24 L28 A29 P33E12-L22 HydrophobicContact CB-CD1 4.3Å; E12-L22 HydrophobicContact CB-CD2 3.68Å; E12-L22 HydrophobicContact CG-CD1 3.96Å; E12-L22 HydrophobicContact CG-CD2 3.8Å; A15-L22 HydrophobicContact CB-CD2 3.88Å; L16-L22 HydrophobicContact CD1-CD2 4.45Å; L16-L22 HydrophobicContact CD2-CD2 4.26Å; L16-L22 HydrophobicContact CD2-CG 4.27Å; L16-L22 HydrophobicContact CG-CD2 3.91Å; L16-L22 HydrophobicContact CG-CG 4.39Å; L22-G24 PolarHBondContact O-N 3.08Å; L22-L28 HydrophobicContact CD1-CB 4.23Å; L22-A29 HydrophobicContact CB-CB 4Å; L22-P33 HydrophobicContact CD1-CG 3.21Å; L22-P33 HydrophobicContact CG-CG 4.22Å
23S85.3Confident87Confident73 Ų7381.5 Ų81.551%0.5145%0.447SS..PPolyproline II helixtrans-50.4139.9170172.60000110.9S25 S26S23-S25 PolarHBondContact O-N 3.1Å; S23-S25 VanDerWaalsContact O-N 3.08Å; S23-S25 PolarHBondContact OG-N 3.31Å; S23-S25 PolarHBondContact OG-OG 2.78Å; S23-S26 WeakPolarHBondContact O-CB 3.45Å; S23-S26 PolarHBondContact O-N 3.28Å
24G83.3Confident87Confident82 Ų8284.3 Ų84.385%0.84546%0.457SS*.THydrogen-bonded Turntrans-58.8-19.2173.400000113.8L22 S26L22-G24 PolarHBondContact O-N 3.08Å; G24-S26 VanDerWaalsContact C-N 3.33Å
25S85.3Confident86.9Confident106 Ų10681.1 Ų81.174%0.74144%0.443SS*.THydrogen-bonded Turntrans-78.2-13.5173.264.30000114S23 R27S23-S25 PolarHBondContact O-N 3.1Å; S23-S25 VanDerWaalsContact O-N 3.08Å; S23-S25 PolarHBondContact OG-N 3.31Å; S23-S25 PolarHBondContact OG-OG 2.78Å; S25-R27 PolarHBondContact O-N 3.1Å
26S86.4Confident86.8Confident12 Ų1280.9 Ų80.98%0.08444%0.439CS..  trans-72.9124.4179.1-176.10000110.4E12 S23 G24 L28 A29E12-S26 WeakPolarHBondContact CG-OG 3.47Å; E12-S26 PolarHBondContact OE1-OG 3.31Å; S23-S26 WeakPolarHBondContact O-CB 3.45Å; S23-S26 PolarHBondContact O-N 3.28Å; G24-S26 VanDerWaalsContact C-N 3.33Å; S26-L28 PolarHBondContact O-N 2.87Å; S26-L28 PolarHBondContact OG-N 2.8Å; S26-A29 WeakPolarHBondContact O-CB 3.44Å; S26-A29 PolarHBondContact O-N 3.02Å
27R84.6Confident86.6Confident176 Ų17684.1 Ų84.166%0.66447%0.471SS*.THydrogen-bonded Turntrans-60.8-15.4173.8-67.4-174-68.2-177-4.2113.2S25 I97S25-R27 PolarHBondContact O-N 3.1Å; R27-I97 HydrophobicContact CB-CD1 4.41Å
28L87Confident86.5Confident0 Ų085.9 Ų85.90%047%0.47CS..THydrogen-bonded Turntrans-91.1-21.8178.1-64.9175.6000112.7F9 L22 S26 P30 L31 P33 M41 S61 I97F9-L28 HydrophobicContact CD1-CD1 3.66Å; F9-L28 HydrophobicContact CE1-CD1 3.67Å; F9-L28 HydrophobicContact CE1-CG 4.46Å; F9-L28 HydrophobicContact CG-CD1 4.26Å; F9-L28 HydrophobicContact CZ-CD1 4.26Å; L22-L28 HydrophobicContact CD1-CB 4.23Å; S26-L28 PolarHBondContact O-N 2.87Å; S26-L28 PolarHBondContact OG-N 2.8Å; L28-P30 VanDerWaalsContact C-CD 3.41Å; L28-P30 VanDerWaalsContact C-N 3.34Å; L28-L31 HydrophobicContact CD2-CD1 4.11Å; L28-L31 WeakPolarHBondContact O-CA 3.49Å; L28-L31 WeakPolarHBondContact O-CB 3.44Å; L28-L31 PolarHBondContact O-N 2.82Å; L28-P33 HydrophobicContact CB-CG 4.1Å; L28-P33 WeakPolarHBondContact O-CD 3.45Å; L28-M41 HydrophobicContact CD1-CE 3.33Å; L28-M41 HydrophobicContact CD1-SD 3.97Å; L28-S61 WeakPolarHBondContact CD2-OG 3.3Å; L28-I97 HydrophobicContact CD1-CD1 4.44Å; L28-I97 HydrophobicContact CD2-CD1 3.66Å; L28-I97 HydrophobicContact CD2-CG1 3.8Å; L28-I97 HydrophobicContact CG-CD1 3.9Å
29A87.2Confident86.3Confident30 Ų3085.3 Ų85.325%0.24847%0.468CS..G310 helixtrans-51.4-43.1-176.700000114.1L22 S26 L31 R32L22-A29 HydrophobicContact CB-CB 4Å; S26-A29 WeakPolarHBondContact O-CB 3.44Å; S26-A29 PolarHBondContact O-N 3.02Å; A29-L31 PolarHBondContact O-N 3.45Å; A29-L31 VanDerWaalsContact O-N 3.11Å; A29-R32 PolarHBondContact O-N 2.82Å; A29-R32 VanDerWaalsContact O-N 3.13Å
30P87.2Confident86.7Confident108 Ų10881.3 Ų81.370%0.70144%0.438SS*.G310 helixtrans-62.1-22.9177.7-23.134.6000114L28 R32L28-P30 VanDerWaalsContact C-CD 3.41Å; L28-P30 VanDerWaalsContact C-N 3.34Å; P30-R32 VanDerWaalsContact C-N 3.31Å
31L87Confident87.2Confident69 Ų6977.1 Ų77.136%0.36142%0.415SS..G310 helixtrans-90.65.4-176.6-53.4171.1000112.8L28 A29 V43 G44 L95L28-L31 HydrophobicContact CD2-CD1 4.11Å; L28-L31 WeakPolarHBondContact O-CA 3.49Å; L28-L31 WeakPolarHBondContact O-CB 3.44Å; L28-L31 PolarHBondContact O-N 2.82Å; A29-L31 PolarHBondContact O-N 3.45Å; A29-L31 VanDerWaalsContact O-N 3.11Å; L31-V43 HydrophobicContact CB-CG1 3.23Å; L31-V43 HydrophobicContact CD1-CG1 4.04Å; L31-V43 HydrophobicContact CG-CG1 4.18Å; L31-V43 WeakPolarHBondContact O-CG1 3.44Å; L31-G44 WeakPolarHBondContact O-CA 3.29Å; L31-G44 PolarHBondContact O-N 3.49Å; L31-L95 HydrophobicContact CD1-CD2 3.71Å
32R87.4Confident87.6Confident210 Ų21069.5 Ų69.579%0.79238%0.378SS*.  trans46.258.7178.5-59.1-173.2178.6-148-0.5113A29 P30 G44A29-R32 PolarHBondContact O-N 2.82Å; A29-R32 VanDerWaalsContact O-N 3.13Å; P30-R32 VanDerWaalsContact C-N 3.31Å; R32-G44 PolarHBondContact O-N 3.46Å; R32-G44 VanDerWaalsContact O-N 3.17Å
33P90.2Very high87.7Confident13 Ų1368.5 Ų68.58%0.08437%0.373CS..  trans-68.7154.5-179.331.3-36.5000110.9L16 L22 L28 M41 R42L16-P33 HydrophobicContact CD1-CB 4.13Å; L16-P33 HydrophobicContact CD1-CG 4.23Å; L16-P33 VanDerWaalsContact CD2-O 3.25Å; L16-P33 WeakPolarHBondContact CD2-O 3.42Å; L22-P33 HydrophobicContact CD1-CG 3.21Å; L22-P33 HydrophobicContact CG-CG 4.22Å; L28-P33 HydrophobicContact CB-CG 4.1Å; L28-P33 WeakPolarHBondContact O-CD 3.45Å; P33-M41 HydrophobicContact CB-CG 4.05Å; P33-M41 HydrophobicContact CB-SD 4.24Å; P33-R42 CarbonylContact C-O 3.57Å; P33-R42 WeakPolarHBondContact CA-O 3.46Å; P33-R42 WeakPolarHBondContact CB-O 3.42Å
34Y90.1Very high87.7Confident74 Ų7466.2 Ų66.229%0.2936%0.361SS..EExtended strand (participates in β ladder)trans-147.4158.4178.168.4-83.2000110.2N36 M41 R42 H58Y34-N36 HydrophobicContact CE2-CB 4.29Å; Y34-M41 WeakPolarHBondContact O-CA 3.42Å; Y34-R42 HydrophobicContact CE1-CB 3.97Å; Y34-R42 HydrophobicContact CE2-CB 4.33Å; Y34-R42 PolarHBondContact N-O 2.98Å; Y34-R42 PolarHBondContact O-N 2.76Å; Y34-H58 HydrophobicContact CE1-CB 4.19Å; Y34-H58 WeakPolarHBondContact OH-CB 3.47Å; Y34-H58 PolarHBondContact OH-CD2 2.84Å
35L90.8Very high87.6Confident41 Ų4164.5 Ų64.522%0.21534%0.343CS..EExtended strand (participates in β ladder)trans-90.2127.5171.5-72.5170000109.6I13 L16 M41I13-L35 HydrophobicContact CG1-CD2 4.46Å; I13-L35 HydrophobicContact CG2-CD1 4.38Å; I13-L35 HydrophobicContact CG2-CD2 4.33Å; L16-L35 HydrophobicContact CB-CD1 3.92Å; L16-L35 HydrophobicContact CB-CG 3.95Å; L35-M41 HydrophobicContact CD2-CB 4.16Å
36N88.6Confident87.7Confident16 Ų1671.6 Ų71.69%0.08635%0.354CS..  trans-82.5-179.417379.4-14.1000111.8Y34 Q38 R39 L40 R42Y34-N36 HydrophobicContact CE2-CB 4.29Å; N36-Q38 VanDerWaalsContact CG-OE1 3.27Å; N36-Q38 PolarHBondContact ND2-OE1 2.87Å; N36-Q38 PolarHBondContact O-N 2.92Å; N36-Q38 VanDerWaalsContact O-N 3.14Å; N36-Q38 PolarHBondContact OD1-N 3.35Å; N36-Q38 PolarHBondContact OD1-OE1 3.37Å; N36-R39 WeakPolarHBondContact O-CA 3.18Å; N36-R39 PolarHBondContact O-N 3.18Å; N36-R39 PolarHBondContact OD1-N 3.14Å; N36-L40 PolarHBondContact N-O 3.14Å; N36-L40 WeakPolarHBondContact OD1-CB 3.32Å; N36-L40 PolarHBondContact OD1-N 3.24Å; N36-L40 PolarHBondContact OD1-O 3.34Å; N36-R42 PolarHBondContact ND2-NE 3.32Å; N36-R42 VanDerWaalsContact ND2-NE 3.14Å
37A87.4Confident87.7Confident98 Ų9874.7 Ų74.781%0.8137%0.369SS*.THydrogen-bonded Turntrans-56.1-31.6-17900000113.6R39A37-R39 PolarHBondContact O-N 3.29Å
38Q87.3Confident87.7Confident113 Ų11375.7 Ų75.753%0.52837%0.373SS..THydrogen-bonded Turntrans-84.37.3177.6-617814.700113.3N36 L40N36-Q38 VanDerWaalsContact CG-OE1 3.27Å; N36-Q38 PolarHBondContact ND2-OE1 2.87Å; N36-Q38 PolarHBondContact O-N 2.92Å; N36-Q38 VanDerWaalsContact O-N 3.14Å; N36-Q38 PolarHBondContact OD1-N 3.35Å; N36-Q38 PolarHBondContact OD1-OE1 3.37Å; Q38-L40 HydrophobicContact CB-CD1 4.41Å; Q38-L40 PolarHBondContact O-N 2.84Å
39R86.7Confident87.7Confident155 Ų15587.7 Ų87.759%0.58542%0.418SS*.SBendtrans53.837.9-172.9-56.8-168.4-178.3171.42.5112.9N36 A37N36-R39 WeakPolarHBondContact O-CA 3.18Å; N36-R39 PolarHBondContact O-N 3.18Å; N36-R39 PolarHBondContact OD1-N 3.14Å; A37-R39 PolarHBondContact O-N 3.29Å
40L88.9Confident87.9Confident32 Ų3288.7 Ų88.717%0.16842%0.421CS..  trans-94.1135.1165.6-74165000108.6R2 N36 Q38 R42R2-L40 HydrophobicContact CB-CD2 3.77Å; R2-L40 HydrophobicContact CG-CD2 4.15Å; N36-L40 PolarHBondContact N-O 3.14Å; N36-L40 WeakPolarHBondContact OD1-CB 3.32Å; N36-L40 PolarHBondContact OD1-N 3.24Å; N36-L40 PolarHBondContact OD1-O 3.34Å; Q38-L40 HydrophobicContact CB-CD1 4.41Å; Q38-L40 PolarHBondContact O-N 2.84Å; L40-R42 PolarHBondContact O-N 3.49Å
41M90.4Very high88.1Confident0 Ų093.4 Ų93.40%043%0.434CS..EExtended strand (participates in β ladder)trans-77.1110.1174.9-175.417662.600109Q5 F9 E12 I13 L16 L28 P33 Y34 L35 S61Q5-M41 PolarHBondContact NE2-O 3.03Å; F9-M41 HydrophobicContact CB-CE 3.5Å; F9-M41 HydrophobicContact CB-SD 4.42Å; F9-M41 HydrophobicContact CD1-CE 4.02Å; F9-M41 HydrophobicContact CD2-CE 3.48Å; F9-M41 VanDerWaalsContact CD2-CE 3.48Å; F9-M41 HydrophobicContact CE2-CE 4.13Å; F9-M41 HydrophobicContact CG-CE 3.41Å; F9-M41 VanDerWaalsContact CG-CE 3.41Å; E12-M41 HydrophobicContact CB-SD 4.06Å; I13-M41 HydrophobicContact CG1-CB 4.32Å; I13-M41 HydrophobicContact CG1-SD 4.41Å; L16-M41 HydrophobicContact CD1-CG 3.88Å; L16-M41 HydrophobicContact CD1-SD 3.79Å; L28-M41 HydrophobicContact CD1-CE 3.33Å; L28-M41 HydrophobicContact CD1-SD 3.97Å; P33-M41 HydrophobicContact CB-CG 4.05Å; P33-M41 HydrophobicContact CB-SD 4.24Å; Y34-M41 WeakPolarHBondContact O-CA 3.42Å; L35-M41 HydrophobicContact CD2-CB 4.16Å; M41-S61 PolarHBondContact O-N 2.79Å
42R91.3Very high88.1Confident29 Ų2993.8 Ų93.811%0.10944%0.436CS..EExtended strand (participates in β ladder)trans-102.3162.7173-71.9-175.4177.8-89.914.8109.9P33 Y34 N36 L40 E54 H58 P59 V60P33-R42 CarbonylContact C-O 3.57Å; P33-R42 WeakPolarHBondContact CA-O 3.46Å; P33-R42 WeakPolarHBondContact CB-O 3.42Å; Y34-R42 HydrophobicContact CE1-CB 3.97Å; Y34-R42 HydrophobicContact CE2-CB 4.33Å; Y34-R42 PolarHBondContact N-O 2.98Å; Y34-R42 PolarHBondContact O-N 2.76Å; N36-R42 PolarHBondContact ND2-NE 3.32Å; N36-R42 VanDerWaalsContact ND2-NE 3.14Å; L40-R42 PolarHBondContact O-N 3.49Å; R42-E54 IonicContact CZ-OE2 2.58Å; R42-E54 VanDerWaalsContact CZ-OE2 3.3Å; R42-E54 IonicContact NE-OE1 3.51Å; R42-E54 IonicContact NE-OE2 3.55Å; R42-E54 PolarHBondContact NE-OE2 3.33Å; R42-E54 IonicContact NH2-OE2 3.65Å; R42-E54 PolarHBondContact NH2-OE2 3.36Å; R42-H58 HydrophobicContact CB-CB 4.35Å; R42-H58 VanDerWaalsContact CD-O 3.3Å; R42-H58 WeakPolarHBondContact CD-O 3.33Å; R42-H58 WeakPolarHBondContact CG-O 3.36Å; R42-H58 PolarHBondContact NH1-O 3.13Å; R42-P59 WeakPolarHBondContact CA-O 3.43Å; R42-V60 HydrophobicContact CG-CG2 4.22Å
43V89.1Confident88.2Confident2 Ų288 Ų881%0.01243%0.425CS..  trans-108.7136-175.8-160.80000109.9L31 H58 P59 L95L31-V43 HydrophobicContact CB-CG1 3.23Å; L31-V43 HydrophobicContact CD1-CG1 4.04Å; L31-V43 HydrophobicContact CG-CG1 4.18Å; L31-V43 WeakPolarHBondContact O-CG1 3.44Å; V43-H58 WeakPolarHBondContact O-CA 3.36Å; V43-H58 PolarHBondContact O-ND1 2.93Å; V43-P59 WeakPolarHBondContact CG2-O 3.5Å; V43-P59 PolarHBondContact N-O 2.58Å; V43-L95 HydrophobicContact CB-CD2 4.02Å; V43-L95 HydrophobicContact CG1-CD2 3.8Å; V43-L95 HydrophobicContact CG2-CB 4.11Å; V43-L95 HydrophobicContact CG2-CD2 3.71Å
44G85.2Confident88Confident24 Ų2491.8 Ų91.825%0.24744%0.442CS..  trans-63.5162.9172.200000111.7L31 R32L31-G44 WeakPolarHBondContact O-CA 3.29Å; L31-G44 PolarHBondContact O-N 3.49Å; R32-G44 PolarHBondContact O-N 3.46Å; R32-G44 VanDerWaalsContact O-N 3.17Å
45G82.3Confident87.8Confident46 Ų4689 Ų8947%0.47444%0.436SS..  trans-164.5173.5-177.400000112.8L47G45-L47 VanDerWaalsContact C-N 3.31Å
46R85.7Confident87.6Confident256 Ų25688.8 Ų88.897%0.96644%0.436SS*.THydrogen-bonded Turntrans-85.9-2.7178-61.8-177.6-177.1178.7-0.3113.3
47L88.1Confident87.6Confident76 Ų7689.4 Ų89.440%0.39844%0.439SS..THydrogen-bonded Turntrans-96.110.9-173.8-60.2178.8000113.9G45 R49 T50 L52G45-L47 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3.23Å; L47-T50 HydrophobicContact CB-CG2 4.2Å; L47-T50 HydrophobicContact CD2-CG2 4.03Å; L47-T50 WeakPolarHBondContact O-CB 3.39Å; L47-T50 PolarHBondContact O-N 3.38Å; L47-T50 PolarHBondContact O-OG1 2.92Å; L47-L52 HydrophobicContact CD1-CD1 4.27Å
48R83.7Confident87.7Confident198 Ų19885.5 Ų85.575%0.74740%0.404SS*.THydrogen-bonded Turntrans-60.7-20.6-175.8-170.6175.1175.6-166.7-0.3114.6
49R88.2Confident87.7Confident252 Ų25280.9 Ų80.995%0.95138%0.383SS*.THydrogen-bonded Turntrans-984.4178.9-64.8-175.7178.7168.3-1.3113.6L47L47-R49 PolarHBondContact O-N 3.23Å
50T90.1Very high87.7Confident51 Ų5174 Ų7431%0.31336%0.358SS..SBendtrans-86.1164.3178.864.70000110.6L47 L52 Q57L47-T50 HydrophobicContact CB-CG2 4.2Å; L47-T50 HydrophobicContact CD2-CG2 4.03Å; L47-T50 WeakPolarHBondContact O-CB 3.39Å; L47-T50 PolarHBondContact O-N 3.38Å; L47-T50 PolarHBondContact O-OG1 2.92Å; T50-L52 HydrophobicContact CG2-CD1 4.47Å; T50-L52 PolarHBondContact O-N 3.32Å; T50-Q57 PolarHBondContact O-NE2 3.37Å
51E90.9Very high87.5Confident207 Ų20772.4 Ų72.497%0.96735%0.35SS*.SBendtrans-90.521.9172-63.2-179.4177.100111.9
52L88.7Confident87.2Confident77 Ų7772.5 Ų72.540%0.40335%0.35SS..SBendtrans-76.2157179.6-66.1172.7000111.5L47 T50 T56 Q57L47-L52 HydrophobicContact CD1-CD1 4.27Å; T50-L52 HydrophobicContact CG2-CD1 4.47Å; T50-L52 PolarHBondContact O-N 3.32Å; L52-T56 HydrophobicContact CB-CG2 4.4Å; L52-T56 HydrophobicContact CD1-CG2 4.01Å; L52-Q57 HydrophobicContact CB-CG 4Å; L52-Q57 PolarHBondContact O-NE2 2.85Å
53P89.1Confident86.8Confident89 Ų8975.2 Ų75.258%0.57836%0.363SS*.  trans-56.3147.2173-24.334.1000112.6G55 T56 Q57P53-G55 PolarHBondContact O-N 3.39Å; P53-G55 VanDerWaalsContact O-N 3.1Å; P53-T56 WeakPolarHBondContact O-CB 3.24Å; P53-T56 PolarHBondContact O-N 3.11Å; P53-Q57 PolarHBondContact O-N 2.78Å; P53-Q57 VanDerWaalsContact O-N 3.1Å
54E85.9Confident86.3Confident91 Ų9180.4 Ų80.443%0.42538%0.383SS..Hα-helixtrans-52.9-38.3-178-168.8-160.1-161.900112.2R42 T56 Q57 H58R42-E54 IonicContact CZ-OE2 2.58Å; R42-E54 VanDerWaalsContact CZ-OE2 3.3Å; R42-E54 IonicContact NE-OE1 3.51Å; R42-E54 IonicContact NE-OE2 3.55Å; R42-E54 PolarHBondContact NE-OE2 3.33Å; R42-E54 IonicContact NH2-OE2 3.65Å; R42-E54 PolarHBondContact NH2-OE2 3.36Å; E54-T56 VanDerWaalsContact C-N 3.26Å; E54-T56 PolarHBondContact O-N 2.59Å; E54-Q57 PolarHBondContact O-N 2.88Å; E54-H58 CarbonylContact O-C 3.45Å; E54-H58 WeakPolarHBondContact O-CA 3.41Å; E54-H58 PolarHBondContact O-N 2.84Å
55G85.7Confident86.1Confident16 Ų1681.2 Ų81.217%0.16539%0.385CS..Hα-helixtrans-56.1-40.4175.900000113.3P53 H58 P59 T92P53-G55 PolarHBondContact O-N 3.39Å; P53-G55 VanDerWaalsContact O-N 3.1Å; G55-H58 CarbonylContact O-C 3.55Å; G55-P59 WeakPolarHBondContact O-CA 3.4Å; G55-P59 WeakPolarHBondContact O-CB 3.35Å; G55-P59 VanDerWaalsContact O-N 3.1Å; G55-T92 CarbonylContact C-O 3.54Å; G55-T92 WeakPolarHBondContact CA-O 3.29Å; G55-T92 VanDerWaalsContact O-O 3.09Å
56T86.2Confident86.1Confident37 Ų3780.2 Ų80.223%0.22737%0.37CS..Hα-helixtrans-79.5-35.9-178.2-56.10000111.4L52 P53 E54 T92L52-T56 HydrophobicContact CB-CG2 4.4Å; L52-T56 HydrophobicContact CD1-CG2 4.01Å; P53-T56 WeakPolarHBondContact O-CB 3.24Å; P53-T56 PolarHBondContact O-N 3.11Å; E54-T56 VanDerWaalsContact C-N 3.26Å; E54-T56 PolarHBondContact O-N 2.59Å; T56-T92 WeakPolarHBondContact CA-O 3.48Å; T56-T92 PolarHBondContact N-O 3.18Å; T56-T92 PolarHBondContact OG1-O 3.11Å
57Q88.7Confident86Confident29 Ų2968 Ų6814%0.13632%0.324CS..Hα-helixtrans-68.7-41.2175.5-59.4-170.98.400111.9T50 L52 P53 E54T50-Q57 PolarHBondContact O-NE2 3.37Å; L52-Q57 HydrophobicContact CB-CG 4Å; L52-Q57 PolarHBondContact O-NE2 2.85Å; P53-Q57 PolarHBondContact O-N 2.78Å; P53-Q57 VanDerWaalsContact O-N 3.1Å; E54-Q57 PolarHBondContact O-N 2.88Å
58H89Confident86.1Confident16 Ų1667 Ų677%0.07432%0.317CS..SBendtrans-139.873.4-169-62.7-53.4000110.9Y34 R42 V43 E54 G55Y34-H58 HydrophobicContact CE1-CB 4.19Å; Y34-H58 WeakPolarHBondContact OH-CB 3.47Å; Y34-H58 PolarHBondContact OH-CD2 2.84Å; R42-H58 HydrophobicContact CB-CB 4.35Å; R42-H58 VanDerWaalsContact CD-O 3.3Å; R42-H58 WeakPolarHBondContact CD-O 3.33Å; R42-H58 WeakPolarHBondContact CG-O 3.36Å; R42-H58 PolarHBondContact NH1-O 3.13Å; V43-H58 WeakPolarHBondContact O-CA 3.36Å; V43-H58 PolarHBondContact O-ND1 2.93Å; E54-H58 CarbonylContact O-C 3.45Å; E54-H58 WeakPolarHBondContact O-CA 3.41Å; E54-H58 PolarHBondContact O-N 2.84Å; G55-H58 CarbonylContact O-C 3.55Å
59P87.9Confident86.4Confident16 Ų1666 Ų6610%0.10431%0.313CS..PPolyproline II helixtrans-63.6153.8-176.725.1-34.7000112.3R42 V43 G55 L95R42-P59 WeakPolarHBondContact CA-O 3.43Å; V43-P59 WeakPolarHBondContact CG2-O 3.5Å; V43-P59 PolarHBondContact N-O 2.58Å; G55-P59 WeakPolarHBondContact O-CA 3.4Å; G55-P59 WeakPolarHBondContact O-CB 3.35Å; G55-P59 VanDerWaalsContact O-N 3.1Å; P59-L95 HydrophobicContact CB-CB 4.14Å; P59-L95 HydrophobicContact CG-CB 3.95Å
60V86.7Confident86.5Confident9 Ų955.7 Ų55.76%0.05528%0.276CS..EExtended strand (participates in β ladder)trans-76.1127.9178.5-179.60000109.4R42 Q62 E93 V94 L95R42-V60 HydrophobicContact CG-CG2 4.22Å; V60-Q62 HydrophobicContact CG1-CG 4.34Å; V60-Q62 PolarHBondContact O-N 2.81Å; V60-E93 PolarHBondContact N-O 2.94Å; V60-V94 CarbonylContact O-C 3.55Å; V60-V94 WeakPolarHBondContact O-CA 3.12Å; V60-L95 PolarHBondContact O-N 3.14Å
61S85.2Confident86.6Confident0 Ų053.3 Ų53.30%026%0.262CS..EExtended strand (participates in β ladder)trans-75.5122.7178-175.70000111.1Q5 L28 M41 L95Q5-S61 WeakPolarHBondContact CG-O 3.35Å; Q5-S61 PolarHBondContact NE2-O 2.88Å; L28-S61 WeakPolarHBondContact CD2-OG 3.3Å; M41-S61 PolarHBondContact O-N 2.79Å; S61-L95 CarbonylContact C-O 2.85Å; S61-L95 WeakPolarHBondContact CA-O 3.27Å
62Q84.4Confident86.8Confident1 Ų147.4 Ų47.41%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-125.9148.4178.4-67.3-65.4-21.500111.7V60 V94 L95V60-Q62 HydrophobicContact CG1-CG 4.34Å; V60-Q62 PolarHBondContact O-N 2.81Å; Q62-V94 HydrophobicContact CB-CG1 3.68Å; Q62-V94 HydrophobicContact CG-CG1 3.61Å; Q62-V94 HydrophobicContact CG-CG2 4.49Å; Q62-L95 PolarHBondContact N-O 2.63Å
63K82.8Confident87.1Confident86 Ų8649 Ų4937%0.37424%0.236SC..  trans-77.2157.1171.1-167.3177.8176-179.10110Y8 F9 S65 V66 A67Y8-K63 HydrophobicContact CD1-CD 3.15Å; Y8-K63 HydrophobicContact CD1-CG 4.49Å; Y8-K63 HydrophobicContact CD2-CB 3.7Å; Y8-K63 HydrophobicContact CD2-CD 3.59Å; Y8-K63 HydrophobicContact CD2-CG 4.24Å; Y8-K63 HydrophobicContact CE1-CD 3.54Å; Y8-K63 HydrophobicContact CE2-CB 4.31Å; Y8-K63 HydrophobicContact CE2-CD 3.95Å; Y8-K63 HydrophobicContact CG-CB 3.92Å; Y8-K63 HydrophobicContact CG-CD 3.15Å; Y8-K63 HydrophobicContact CG-CG 4.14Å; F9-K63 HydrophobicContact CE2-CB 4.28Å; F9-K63 HydrophobicContact CZ-CB 4.24Å; K63-S65 VanDerWaalsContact C-N 3.29Å; K63-S65 PolarHBondContact O-N 3.44Å; K63-S65 VanDerWaalsContact O-N 3.16Å; K63-V66 PolarHBondContact O-N 2.69Å; K63-A67 WeakPolarHBondContact O-CB 3.26Å; K63-A67 PolarHBondContact O-N 3.43Å
64Y77.7Confident87.3Confident111 Ų11146.9 Ų46.944%0.43522%0.216SC..Hα-helixtrans-44-41.9178.9-171.3-90.9000115.7A67 H68 C102Y64-A67 PolarHBondContact O-N 3.19Å; Y64-H68 HydrophobicContact CE1-CB 4.5Å; Y64-H68 VanDerWaalsContact O-CB 3.27Å; Y64-H68 WeakPolarHBondContact O-CB 3.39Å; Y64-H68 PolarHBondContact O-N 2.84Å; Y64-C102 HydrophobicContact CD2-CB 3.84Å; Y64-C102 HydrophobicContact CE2-CB 3.51Å; Y64-C102 VanDerWaalsContact CE2-SG 3.55Å
65S80.3Confident87.8Confident42 Ų4242.5 Ų42.529%0.29420%0.196SC..Hα-helixtrans-64-50.1-174.749.60000112.9Y8 K63 H68Y8-S65 WeakPolarHBondContact CE2-OG 3.25Å; Y8-S65 PolarHBondContact OH-OG 3.13Å; K63-S65 VanDerWaalsContact C-N 3.29Å; K63-S65 PolarHBondContact O-N 3.44Å; K63-S65 VanDerWaalsContact O-N 3.16Å; S65-H68 WeakPolarHBondContact O-CB 3.12Å; S65-H68 PolarHBondContact O-N 3.36Å
66V83.4Confident88.4Confident25 Ų2545.1 Ų45.115%0.15221%0.206CC..Hα-helixtrans-68.1-44.3175.7-175.70000110.3E4 K63 H68 W69 M70E4-V66 HydrophobicContact CB-CG2 3.48Å; E4-V66 VanDerWaalsContact CB-CG2 3.48Å; E4-V66 HydrophobicContact CG-CG2 3.36Å; E4-V66 WeakPolarHBondContact OE2-CG2 3.35Å; K63-V66 PolarHBondContact O-N 2.69Å; V66-H68 PolarHBondContact O-N 2.76Å; V66-W69 PolarHBondContact O-N 3.1Å; V66-M70 HydrophobicContact CG1-CG 4.48Å; V66-M70 HydrophobicContact CG1-SD 4.16Å; V66-M70 WeakPolarHBondContact O-CG 3.25Å; V66-M70 PolarHBondContact O-N 3.38Å
67A84Confident88.9Confident0 Ų048.7 Ų48.70%022%0.22CC..Hα-helixtrans-58.8-31.9178.500000112.8K63 Y64 T71 V96K63-A67 WeakPolarHBondContact O-CB 3.26Å; K63-A67 PolarHBondContact O-N 3.43Å; Y64-A67 PolarHBondContact O-N 3.19Å; A67-T71 WeakPolarHBondContact O-CB 3.09Å; A67-T71 PolarHBondContact O-N 3.17Å; A67-T71 PolarHBondContact O-OG1 3.37Å; A67-V96 HydrophobicContact CB-CB 3.98Å; A67-V96 HydrophobicContact CB-CG1 3.4Å; A67-V96 VanDerWaalsContact CB-CG1 3.4Å; A67-V96 HydrophobicContact CB-CG2 3.32Å
68H89.3Confident89.3Confident53 Ų5349.1 Ų49.125%0.24522%0.223CC..Hα-helixtrans-61.5-52.7179.1-179.682.6000110.9Y64 S65 V66 T71 W72 I106Y64-H68 HydrophobicContact CE1-CB 4.5Å; Y64-H68 VanDerWaalsContact O-CB 3.27Å; Y64-H68 WeakPolarHBondContact O-CB 3.39Å; Y64-H68 PolarHBondContact O-N 2.84Å; S65-H68 WeakPolarHBondContact O-CB 3.12Å; S65-H68 PolarHBondContact O-N 3.36Å; V66-H68 PolarHBondContact O-N 2.76Å; H68-T71 PolarHBondContact O-N 3.41Å; H68-W72 WeakPolarHBondContact O-CB 3.21Å; H68-W72 PolarHBondContact O-N 3Å; H68-I106 VanDerWaalsContact CE1-CG1 3.43Å; H68-I106 WeakPolarHBondContact CE1-CG1 3.5Å; H68-I106 VanDerWaalsContact O-CD1 3.28Å; H68-I106 WeakPolarHBondContact O-CD1 3.42Å
69W90.4Very high89.6Confident179 Ų17955.8 Ų55.868%0.67826%0.256SS*.Hα-helixtrans-63.6-43.9179-67.7118.9000112.3V66 T71 W72 E73V66-W69 PolarHBondContact O-N 3.1Å; W69-T71 VanDerWaalsContact C-N 3.3Å; W69-T71 PolarHBondContact O-N 3.46Å; W69-W72 WeakPolarHBondContact O-CB 3.26Å; W69-W72 PolarHBondContact O-N 2.65Å; W69-E73 WeakPolarHBondContact O-CB 3.37Å; W69-E73 PolarHBondContact O-N 3.23Å
70M90Very high90Very high35 Ų3557.5 Ų57.517%0.17226%0.263CS..Hα-helixtrans-61.2-40.2175-66.6-17471.800112.5M1 V66 R74 V94M1-M70 HydrophobicContact CE-CE 3.23Å; M1-M70 HydrophobicContact CE-SD 3.6Å; M1-M70 VanDerWaalsContact CE-SD 3.6Å; V66-M70 HydrophobicContact CG1-CG 4.48Å; V66-M70 HydrophobicContact CG1-SD 4.16Å; V66-M70 WeakPolarHBondContact O-CG 3.25Å; V66-M70 PolarHBondContact O-N 3.38Å; M70-R74 WeakPolarHBondContact O-CB 3.34Å; M70-R74 PolarHBondContact O-N 2.77Å; M70-V94 HydrophobicContact CE-CG2 3.57Å; M70-V94 HydrophobicContact SD-CG2 4.08Å
71T92.9Very high90.5Very high1 Ų158.2 Ų58.21%0.00627%0.269CS..Hα-helixtrans-68.5-38.4177.9-600000111A67 H68 W69 Y75 V86 L90 V103 I106A67-T71 WeakPolarHBondContact O-CB 3.09Å; A67-T71 PolarHBondContact O-N 3.17Å; A67-T71 PolarHBondContact O-OG1 3.37Å; H68-T71 PolarHBondContact O-N 3.41Å; W69-T71 VanDerWaalsContact C-N 3.3Å; W69-T71 PolarHBondContact O-N 3.46Å; T71-Y75 WeakPolarHBondContact O-CB 2.92Å; T71-Y75 PolarHBondContact O-N 3.05Å; T71-V86 HydrophobicContact CG2-CG1 4.16Å; T71-L90 HydrophobicContact CG2-CD1 3.64Å; T71-L90 VanDerWaalsContact OG1-CD1 3.26Å; T71-L90 WeakPolarHBondContact OG1-CD1 3.33Å; T71-V103 HydrophobicContact CG2-CB 4.21Å; T71-V103 HydrophobicContact CG2-CG2 3.65Å; T71-I106 HydrophobicContact CG2-CB 4.47Å; T71-I106 HydrophobicContact CG2-CD1 3.32Å; T71-I106 HydrophobicContact CG2-CG1 4.48Å; T71-I106 HydrophobicContact CG2-CG2 4.49Å
72W94.3Very high91Very high82 Ų8261.8 Ų61.831%0.31129%0.294SS..Hα-helixtrans-63.6-50.1175.9-178.9-102000111.1H68 W69 R74 Y75 L76 I106 C110H68-W72 WeakPolarHBondContact O-CB 3.21Å; H68-W72 PolarHBondContact O-N 3Å; W69-W72 WeakPolarHBondContact O-CB 3.26Å; W69-W72 PolarHBondContact O-N 2.65Å; W72-R74 PolarHBondContact O-N 3.46Å; W72-Y75 HydrophobicContact CE3-CD1 4.24Å; W72-Y75 HydrophobicContact CH2-CE1 4.48Å; W72-Y75 HydrophobicContact CZ3-CD1 4.14Å; W72-Y75 HydrophobicContact CZ3-CE1 4.15Å; W72-Y75 WeakPolarHBondContact O-CB 3.42Å; W72-Y75 PolarHBondContact O-N 3.02Å; W72-L76 HydrophobicContact CZ2-CD1 4.4Å; W72-L76 HydrophobicContact CZ2-CD2 4.28Å; W72-L76 WeakPolarHBondContact O-CG 3.3Å; W72-L76 PolarHBondContact O-N 2.9Å; W72-I106 HydrophobicContact CB-CD1 4.48Å; W72-I106 HydrophobicContact CE3-CB 4.39Å; W72-I106 HydrophobicContact CE3-CG1 4.43Å; W72-I106 HydrophobicContact CE3-CG2 3.44Å; W72-I106 VanDerWaalsContact CE3-CG2 3.44Å; W72-I106 HydrophobicContact CZ3-CG2 3.91Å; W72-C110 HydrophobicContact CH2-CB 4.3Å; W72-C110 HydrophobicContact CZ3-CB 4.29Å
73E94.4Very high91.5Very high112 Ų11263 Ų6352%0.52330%0.303SS..Hα-helixtrans-57.5-48.8176-178.4178.4-156.800111.2W69 Y75 L76 Q77W69-E73 WeakPolarHBondContact O-CB 3.37Å; W69-E73 PolarHBondContact O-N 3.23Å; E73-Y75 VanDerWaalsContact C-N 3.33Å; E73-Y75 PolarHBondContact O-N 3.46Å; E73-L76 PolarHBondContact O-N 3.03Å; E73-Q77 WeakPolarHBondContact O-CG 3.41Å; E73-Q77 PolarHBondContact O-N 3.15Å
74R94.3Very high92.1Very high43 Ų4363.2 Ų63.216%0.16231%0.305CS..Hα-helixtrans-65.5-37.9-179.6-167.259.566.989.8-3.4112.6M70 W72 L76 Q77 L78 D89 E93M70-R74 WeakPolarHBondContact O-CB 3.34Å; M70-R74 PolarHBondContact O-N 2.77Å; W72-R74 PolarHBondContact O-N 3.46Å; R74-L76 VanDerWaalsContact C-N 3.3Å; R74-L76 PolarHBondContact O-N 3.33Å; R74-Q77 PolarHBondContact O-N 3.41Å; R74-L78 HydrophobicContact CG-CD1 3.92Å; R74-L78 HydrophobicContact CG-CG 4.33Å; R74-L78 WeakPolarHBondContact O-CB 3.21Å; R74-L78 VanDerWaalsContact O-CG 3.28Å; R74-L78 WeakPolarHBondContact O-CG 3.46Å; R74-L78 PolarHBondContact O-N 3.05Å; R74-D89 WeakPolarHBondContact CD-OD2 3.28Å; R74-D89 WeakPolarHBondContact CG-OD2 3.27Å; R74-D89 IonicContact CZ-OD2 3.46Å; R74-D89 IonicContact NE-OD2 2.77Å; R74-D89 IonicContact NH1-OD2 3.33Å; R74-D89 PolarHBondContact NH1-OD2 3.45Å; R74-E93 IonicContact CZ-OE1 3.23Å; R74-E93 IonicContact NH1-OE1 3.67Å; R74-E93 PolarHBondContact NH1-OE1 3.34Å; R74-E93 VanDerWaalsContact NH2-CD 3.34Å; R74-E93 IonicContact NH2-OE1 3.33Å; R74-E93 PolarHBondContact NH2-OE1 3.19Å; R74-E93 IonicContact NH2-OE2 3.45Å; R74-E93 PolarHBondContact NH2-OE2 3.37Å
75Y96.6Very high93Very high0 Ų064.9 Ų64.90%031%0.311CS..Hα-helixtrans-60.1-39.5174.6167.6-117.3000112.5T71 W72 E73 H80 V86 I106 L107 C110 C113T71-Y75 WeakPolarHBondContact O-CB 2.92Å; T71-Y75 PolarHBondContact O-N 3.05Å; W72-Y75 HydrophobicContact CE3-CD1 4.24Å; W72-Y75 HydrophobicContact CH2-CE1 4.48Å; W72-Y75 HydrophobicContact CZ3-CD1 4.14Å; W72-Y75 HydrophobicContact CZ3-CE1 4.15Å; W72-Y75 WeakPolarHBondContact O-CB 3.42Å; W72-Y75 PolarHBondContact O-N 3.02Å; E73-Y75 VanDerWaalsContact C-N 3.33Å; E73-Y75 PolarHBondContact O-N 3.46Å; Y75-H80 AromaticContact CE1-ND1 3.47Å; Y75-H80 WeakPolarHBondContact CE1-ND1 3.38Å; Y75-H80 HydrophobicContact CE2-CB 4.01Å; Y75-H80 AromaticContact CZ-CG 3.97Å; Y75-H80 AromaticContact CZ-ND1 3.26Å; Y75-H80 VanDerWaalsContact CZ-ND1 3.26Å; Y75-H80 PolarHBondContact O-N 3.26Å; Y75-H80 VanDerWaalsContact O-N 3.11Å; Y75-H80 PolarHBondContact OH-ND1 3.02Å; Y75-V86 HydrophobicContact CD2-CG2 3.87Å; Y75-I106 HydrophobicContact CD1-CG2 3.92Å; Y75-I106 HydrophobicContact CG-CG2 4.23Å; Y75-L107 HydrophobicContact CD1-CD1 4.38Å; Y75-L107 HydrophobicContact CD2-CD1 3.33Å; Y75-L107 HydrophobicContact CD2-CG 3.98Å; Y75-L107 HydrophobicContact CE1-CD1 4.47Å; Y75-L107 HydrophobicContact CE2-CD1 3.42Å; Y75-L107 VanDerWaalsContact CE2-CD1 3.42Å; Y75-L107 HydrophobicContact CE2-CD2 4.34Å; Y75-L107 HydrophobicContact CE2-CG 3.51Å; Y75-L107 HydrophobicContact CG-CD1 3.81Å; Y75-C110 HydrophobicContact CE1-CB 3.73Å; Y75-C110 WeakPolarHBondContact OH-CB 3.47Å; Y75-C110 PolarHBondContact OH-SG 3.19Å; Y75-C113 PolarHBondContact OH-SG 3.25Å
76L96.9Very high93.7Very high71 Ų7162.9 Ų62.937%0.37230%0.297SS..Hα-helixtrans-69.7-44.8174.2-66.5179.6000112W72 E73 R74 L78 M79W72-L76 HydrophobicContact CZ2-CD1 4.4Å; W72-L76 HydrophobicContact CZ2-CD2 4.28Å; W72-L76 WeakPolarHBondContact O-CG 3.3Å; W72-L76 PolarHBondContact O-N 2.9Å; E73-L76 PolarHBondContact O-N 3.03Å; R74-L76 VanDerWaalsContact C-N 3.3Å; R74-L76 PolarHBondContact O-N 3.33Å; L76-L78 PolarHBondContact O-N 3.29Å; L76-M79 PolarHBondContact O-N 2.87Å
77Q96.9Very high94.3Very high111 Ų11162.1 Ų62.152%0.51929%0.292SS..Hα-helixtrans-59.2-34.4176-72.3171.9-9.500112.3E73 R74 M79E73-Q77 WeakPolarHBondContact O-CG 3.41Å; E73-Q77 PolarHBondContact O-N 3.15Å; R74-Q77 PolarHBondContact O-N 3.41Å; Q77-M79 PolarHBondContact O-N 2.9Å
78L97Very high94.7Very high39 Ų3964.7 Ų64.720%0.20431%0.313CS..THydrogen-bonded Turntrans-84.617175.4-65.8172.2000113.2R74 L76 H80 A81 V86 D89R74-L78 HydrophobicContact CG-CD1 3.92Å; R74-L78 HydrophobicContact CG-CG 4.33Å; R74-L78 WeakPolarHBondContact O-CB 3.21Å; R74-L78 VanDerWaalsContact O-CG 3.28Å; R74-L78 WeakPolarHBondContact O-CG 3.46Å; R74-L78 PolarHBondContact O-N 3.05Å; L76-L78 PolarHBondContact O-N 3.29Å; L78-H80 PolarHBondContact O-N 3Å; L78-A81 HydrophobicContact CB-CB 3.81Å; L78-A81 VanDerWaalsContact O-CB 3.27Å; L78-A81 WeakPolarHBondContact O-CB 3.31Å; L78-A81 PolarHBondContact O-N 3.39Å; L78-A81 VanDerWaalsContact O-N 3.13Å; L78-V86 HydrophobicContact CD1-CB 4.41Å; L78-V86 HydrophobicContact CD1-CG2 4.1Å; L78-D89 HydrophobicContact CD1-CB 3.73Å
79M97Very high95Very high156 Ų15663.7 Ų63.777%0.76831%0.31SS*.THydrogen-bonded Turntrans53.550.4173.2-57.8-61.9-73.200112.9L76 Q77 A81L76-M79 PolarHBondContact O-N 2.87Å; Q77-M79 PolarHBondContact O-N 2.9Å; M79-A81 VanDerWaalsContact C-N 3.3Å; M79-A81 PolarHBondContact O-N 3.41Å
80H96.1Very high95Very high52 Ų5255.5 Ų55.524%0.24128%0.279CS..THydrogen-bonded Turntrans62.631179.5-60.7-84.6000115Y75 L78 C110 Y112Y75-H80 AromaticContact CE1-ND1 3.47Å; Y75-H80 WeakPolarHBondContact CE1-ND1 3.38Å; Y75-H80 HydrophobicContact CE2-CB 4.01Å; Y75-H80 AromaticContact CZ-CG 3.97Å; Y75-H80 AromaticContact CZ-ND1 3.26Å; Y75-H80 VanDerWaalsContact CZ-ND1 3.26Å; Y75-H80 PolarHBondContact O-N 3.26Å; Y75-H80 VanDerWaalsContact O-N 3.11Å; Y75-H80 PolarHBondContact OH-ND1 3.02Å; L78-H80 PolarHBondContact O-N 3Å; H80-C110 PolarHBondContact CE1-SG 3.25Å; H80-C110 PolarHBondContact ND1-SG 3.29Å; H80-C110 VanDerWaalsContact ND1-SG 3.42Å; H80-Y112 HydrophobicContact CB-CD1 4.2Å; H80-Y112 HydrophobicContact CB-CE1 4.24Å; H80-Y112 AromaticContact CD2-CD1 3.42Å; H80-Y112 VanDerWaalsContact CD2-CD1 3.42Å; H80-Y112 WeakPolarHBondContact CD2-CD1 3.48Å; H80-Y112 AromaticContact CD2-CE1 3.56Å; H80-Y112 AromaticContact CE1-CD1 3.66Å; H80-Y112 AromaticContact CE1-CG 3.94Å; H80-Y112 AromaticContact CG-CD1 3.5Å; H80-Y112 AromaticContact CG-CE1 3.84Å; H80-Y112 AromaticContact ND1-CD1 3.64Å; H80-Y112 AromaticContact NE2-CD1 3.53Å; H80-Y112 AromaticContact NE2-CG 3.84Å
81A96.2Very high95Very high23 Ų2359.6 Ų59.619%0.1929%0.293CS..  trans-57164.5179.900000114.7L78 M79 R85 V86L78-A81 HydrophobicContact CB-CB 3.81Å; L78-A81 VanDerWaalsContact O-CB 3.27Å; L78-A81 WeakPolarHBondContact O-CB 3.31Å; L78-A81 PolarHBondContact O-N 3.39Å; L78-A81 VanDerWaalsContact O-N 3.13Å; M79-A81 VanDerWaalsContact C-N 3.3Å; M79-A81 PolarHBondContact O-N 3.41Å; A81-R85 HydrophobicContact CB-CB 3.97Å; A81-R85 HydrophobicContact CB-CG 3.78Å; A81-V86 HydrophobicContact CB-CG2 4.22Å
82S95.2Very high94.9Very high75 Ų7561.8 Ų61.852%0.52431%0.306SS..  trans-60.3156.9179.1760000113E84 R85 V86S82-E84 PolarHBondContact O-N 3.43Å; S82-R85 PolarHBondContact O-N 3.03Å; S82-R85 PolarHBondContact OG-N 3.16Å; S82-V86 WeakPolarHBondContact O-CG2 3.37Å; S82-V86 PolarHBondContact O-N 2.91Å
83S95Very high94.5Very high27 Ų2762 Ų6219%0.18931%0.31CS..Hα-helixtrans-58.6-34.9-177.871.20000113.5L87 L107S83-L87 WeakPolarHBondContact O-CB 3.19Å; S83-L87 PolarHBondContact O-N 3.29Å; S83-L107 VanDerWaalsContact CA-CD2 3.48Å; S83-L107 VanDerWaalsContact N-CD2 3.32Å
84E95.8Very high94.3Very high91 Ų9156.8 Ų56.843%0.42529%0.286SS..Hα-helixtrans-69.7-40.5176.6-59.4-53.3143.800111.3S82 L87 A88 R100S82-E84 PolarHBondContact O-N 3.43Å; E84-L87 PolarHBondContact O-N 3.32Å; E84-A88 VanDerWaalsContact O-CB 3.29Å; E84-A88 WeakPolarHBondContact O-CB 3.44Å; E84-A88 PolarHBondContact O-N 3.43Å; E84-R100 IonicContact OE1-CZ 3.63Å; E84-R100 IonicContact OE1-NH1 3.3Å; E84-R100 PolarHBondContact OE1-NH1 3.34Å; E84-R100 IonicContact OE1-NH2 2.82Å; E84-R100 IonicContact OE2-CZ 3.46Å; E84-R100 VanDerWaalsContact OE2-CZ 3.29Å; E84-R100 IonicContact OE2-NH1 3.6Å; E84-R100 PolarHBondContact OE2-NH1 3.08Å; E84-R100 IonicContact OE2-NH2 2.65Å; E84-R100 PolarHBondContact OE2-NH2 3.18Å
85R96.6Very high94Very high146 Ų14656.3 Ų56.355%0.55129%0.287SS*.Hα-helixtrans-64.6-48-179.5179.958.7-179.1-171.83.9110.8A81 S82 L87 A88 D89A81-R85 HydrophobicContact CB-CB 3.97Å; A81-R85 HydrophobicContact CB-CG 3.78Å; S82-R85 PolarHBondContact O-N 3.03Å; S82-R85 PolarHBondContact OG-N 3.16Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.13Å; R85-A88 PolarHBondContact O-N 3.36Å; R85-D89 VanDerWaalsContact O-CB 3.25Å; R85-D89 WeakPolarHBondContact O-CB 3.23Å; R85-D89 PolarHBondContact O-N 3.33Å
86V96.3Very high93.6Very high0 Ų057 Ų570%029%0.291CS..Hα-helixtrans-61.5-42.7176.9178.80000110.8T71 Y75 L78 A81 S82 D89 L90 V103T71-V86 HydrophobicContact CG2-CG1 4.16Å; Y75-V86 HydrophobicContact CD2-CG2 3.87Å; L78-V86 HydrophobicContact CD1-CB 4.41Å; L78-V86 HydrophobicContact CD1-CG2 4.1Å; A81-V86 HydrophobicContact CB-CG2 4.22Å; S82-V86 WeakPolarHBondContact O-CG2 3.37Å; S82-V86 PolarHBondContact O-N 2.91Å; V86-D89 PolarHBondContact O-N 3.3Å; V86-L90 HydrophobicContact CG1-CD1 3.88Å; V86-L90 WeakPolarHBondContact O-CB 3.36Å; V86-L90 PolarHBondContact O-N 3.22Å; V86-V103 HydrophobicContact CB-CG1 3.88Å; V86-V103 HydrophobicContact CG1-CG1 3.89Å; V86-V103 HydrophobicContact CG1-CG2 4.28Å
87L94.7Very high92.9Very high8 Ų855.2 Ų55.24%0.04228%0.281CS..Hα-helixtrans-65.8-42.3178.7-178.664.1000112.7S83 E84 R85 D89 R91 R100 V103S83-L87 WeakPolarHBondContact O-CB 3.19Å; S83-L87 PolarHBondContact O-N 3.29Å; E84-L87 PolarHBondContact O-N 3.32Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.13Å; L87-D89 VanDerWaalsContact C-N 3.31Å; L87-R91 WeakPolarHBondContact O-CB 3.38Å; L87-R91 WeakPolarHBondContact O-CD 3.11Å; L87-R91 VanDerWaalsContact O-CG 3.24Å; L87-R91 WeakPolarHBondContact O-CG 3.44Å; L87-R91 PolarHBondContact O-N 2.83Å; L87-R91 VanDerWaalsContact O-N 3.13Å; L87-R100 HydrophobicContact CD2-CB 3.97Å; L87-R100 HydrophobicContact CD2-CG 4.43Å; L87-V103 HydrophobicContact CB-CG2 4.26Å; L87-V103 HydrophobicContact CD1-CG2 4.19Å
88A93.5Very high92.4Very high55 Ų5553.5 Ų53.546%0.45528%0.282SS..Hα-helixtrans-63.3-43.1178.300000110.8E84 R85 R91E84-A88 VanDerWaalsContact O-CB 3.29Å; E84-A88 WeakPolarHBondContact O-CB 3.44Å; E84-A88 PolarHBondContact O-N 3.43Å; R85-A88 PolarHBondContact O-N 3.36Å; A88-R91 PolarHBondContact O-N 2.87Å
89D94.1Very high92Very high32 Ų3252 Ų5217%0.17128%0.276CS..Hα-helixtrans-69.5-44-179.8-172.891.2000112R74 L78 R85 V86 L87 R91 T92R74-D89 WeakPolarHBondContact CD-OD2 3.28Å; R74-D89 WeakPolarHBondContact CG-OD2 3.27Å; R74-D89 IonicContact CZ-OD2 3.46Å; R74-D89 IonicContact NE-OD2 2.77Å; R74-D89 IonicContact NH1-OD2 3.33Å; R74-D89 PolarHBondContact NH1-OD2 3.45Å; L78-D89 HydrophobicContact CD1-CB 3.73Å; R85-D89 VanDerWaalsContact O-CB 3.25Å; R85-D89 WeakPolarHBondContact O-CB 3.23Å; R85-D89 PolarHBondContact O-N 3.33Å; V86-D89 PolarHBondContact O-N 3.3Å; L87-D89 VanDerWaalsContact C-N 3.31Å; D89-R91 VanDerWaalsContact C-N 3.25Å; D89-R91 PolarHBondContact O-N 2.91Å; D89-T92 WeakPolarHBondContact O-CB 3.46Å; D89-T92 WeakPolarHBondContact O-CG2 3.28Å; D89-T92 PolarHBondContact O-N 3.4Å; D89-T92 VanDerWaalsContact O-N 3.11Å; D89-T92 PolarHBondContact O-OG1 2.79Å
90L91.9Very high91.8Very high7 Ų748.7 Ų48.74%0.03726%0.255CS..Hα-helixtrans-53.9-40.4170.1-96.7151.6000113.4T71 V86 T92 E93 V94 V103T71-L90 HydrophobicContact CG2-CD1 3.64Å; T71-L90 VanDerWaalsContact OG1-CD1 3.26Å; T71-L90 WeakPolarHBondContact OG1-CD1 3.33Å; V86-L90 HydrophobicContact CG1-CD1 3.88Å; V86-L90 WeakPolarHBondContact O-CB 3.36Å; V86-L90 PolarHBondContact O-N 3.22Å; L90-T92 PolarHBondContact O-N 3.23Å; L90-E93 PolarHBondContact O-N 3.18Å; L90-E93 VanDerWaalsContact O-N 3.11Å; L90-V94 PolarHBondContact O-N 3.03Å; L90-V94 VanDerWaalsContact O-O 3.09Å; L90-V103 HydrophobicContact CD1-CG2 3.91Å
91R90Very high91.6Very high121 Ų12155.9 Ų55.946%0.45728%0.28SS..THydrogen-bonded Turntrans-67.7-12.1-177.4-80.1170.8171.1176-4.5114L87 A88 D89 E93L87-R91 WeakPolarHBondContact O-CB 3.38Å; L87-R91 WeakPolarHBondContact O-CD 3.11Å; L87-R91 VanDerWaalsContact O-CG 3.24Å; L87-R91 WeakPolarHBondContact O-CG 3.44Å; L87-R91 PolarHBondContact O-N 2.83Å; L87-R91 VanDerWaalsContact O-N 3.13Å; A88-R91 PolarHBondContact O-N 2.87Å; D89-R91 VanDerWaalsContact C-N 3.25Å; D89-R91 PolarHBondContact O-N 2.91Å; R91-E93 PolarHBondContact O-N 3.41Å
92T89.4Confident91.4Very high46 Ų4654.8 Ų54.828%0.28227%0.271SS..THydrogen-bonded Turntrans-68-17.817265.90000112.7G55 T56 D89 L90G55-T92 CarbonylContact C-O 3.54Å; G55-T92 WeakPolarHBondContact CA-O 3.29Å; G55-T92 VanDerWaalsContact O-O 3.09Å; T56-T92 WeakPolarHBondContact CA-O 3.48Å; T56-T92 PolarHBondContact N-O 3.18Å; T56-T92 PolarHBondContact OG1-O 3.11Å; D89-T92 WeakPolarHBondContact O-CB 3.46Å; D89-T92 WeakPolarHBondContact O-CG2 3.28Å; D89-T92 PolarHBondContact O-N 3.4Å; D89-T92 VanDerWaalsContact O-N 3.11Å; D89-T92 PolarHBondContact O-OG1 2.79Å; L90-T92 PolarHBondContact O-N 3.23Å
93E86.7Confident91.4Very high87 Ų8751.3 Ų51.341%0.40725%0.246SC..THydrogen-bonded Turntrans-132.8-40.2-176.7-68.6169.9-137.700113.1V60 R74 L90 R91V60-E93 PolarHBondContact N-O 2.94Å; R74-E93 IonicContact CZ-OE1 3.23Å; R74-E93 IonicContact NH1-OE1 3.67Å; R74-E93 PolarHBondContact NH1-OE1 3.34Å; R74-E93 VanDerWaalsContact NH2-CD 3.34Å; R74-E93 IonicContact NH2-OE1 3.33Å; R74-E93 PolarHBondContact NH2-OE1 3.19Å; R74-E93 IonicContact NH2-OE2 3.45Å; R74-E93 PolarHBondContact NH2-OE2 3.37Å; L90-E93 PolarHBondContact O-N 3.18Å; L90-E93 VanDerWaalsContact O-N 3.11Å; R91-E93 PolarHBondContact O-N 3.41Å
94V89.4Confident91.4Very high2 Ų256.5 Ų56.51%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-132.3134.3-169.11780000112.1M1 V60 Q62 M70 L90 V96M1-V94 HydrophobicContact CE-CG2 4.24Å; V60-V94 CarbonylContact O-C 3.55Å; V60-V94 WeakPolarHBondContact O-CA 3.12Å; Q62-V94 HydrophobicContact CB-CG1 3.68Å; Q62-V94 HydrophobicContact CG-CG1 3.61Å; Q62-V94 HydrophobicContact CG-CG2 4.49Å; M70-V94 HydrophobicContact CE-CG2 3.57Å; M70-V94 HydrophobicContact SD-CG2 4.08Å; L90-V94 PolarHBondContact O-N 3.03Å; L90-V94 VanDerWaalsContact O-O 3.09Å; V94-V96 HydrophobicContact CG1-CG2 3.92Å
95L89.2Confident91.3Very high33 Ų3353.3 Ų53.317%0.17325%0.253CS..EExtended strand (participates in β ladder)trans-103.6117.8167.8-168.377.9000109.8L31 V43 P59 V60 S61 Q62L31-L95 HydrophobicContact CD1-CD2 3.71Å; V43-L95 HydrophobicContact CB-CD2 4.02Å; V43-L95 HydrophobicContact CG1-CD2 3.8Å; V43-L95 HydrophobicContact CG2-CB 4.11Å; V43-L95 HydrophobicContact CG2-CD2 3.71Å; P59-L95 HydrophobicContact CB-CB 4.14Å; P59-L95 HydrophobicContact CG-CB 3.95Å; V60-L95 PolarHBondContact O-N 3.14Å; S61-L95 CarbonylContact C-O 2.85Å; S61-L95 WeakPolarHBondContact CA-O 3.27Å; Q62-L95 PolarHBondContact N-O 2.63Å
96V87.4Confident91.2Very high14 Ų1446.4 Ų46.49%0.08523%0.227CC..EExtended strand (participates in β ladder)trans-101.2127175.9-172.50000108.4A67 V94 S98 G99 C102A67-V96 HydrophobicContact CB-CB 3.98Å; A67-V96 HydrophobicContact CB-CG1 3.4Å; A67-V96 VanDerWaalsContact CB-CG1 3.4Å; A67-V96 HydrophobicContact CB-CG2 3.32Å; V94-V96 HydrophobicContact CG1-CG2 3.92Å; V96-S98 PolarHBondContact O-N 2.78Å; V96-G99 WeakPolarHBondContact O-CA 3.49Å; V96-G99 PolarHBondContact O-N 3.31Å; V96-C102 HydrophobicContact CG1-CB 4.5Å
97I83.1Confident91.2Very high35 Ų3547.9 Ų47.918%0.17924%0.235CC..THydrogen-bonded Turntrans-60.3124.3170.8-58178.7000107.7F9 R27 L28 G99F9-I97 HydrophobicContact CE1-CD1 3.75Å; F9-I97 HydrophobicContact CZ-CD1 3.98Å; R27-I97 HydrophobicContact CB-CD1 4.41Å; L28-I97 HydrophobicContact CD1-CD1 4.44Å; L28-I97 HydrophobicContact CD2-CD1 3.66Å; L28-I97 HydrophobicContact CD2-CG1 3.8Å; L28-I97 HydrophobicContact CG-CD1 3.9Å; I97-G99 PolarHBondContact O-N 3.44Å
98S85.1Confident91.1Very high75 Ų7555.1 Ų55.152%0.52427%0.266SS..THydrogen-bonded Turntrans59.532.6-171.5-53.90000113.5V96 R100 R101 C102V96-S98 PolarHBondContact O-N 2.78Å; S98-R100 VanDerWaalsContact C-N 3.25Å; S98-R100 PolarHBondContact O-N 2.95Å; S98-R100 VanDerWaalsContact O-N 3.15Å; S98-R101 WeakPolarHBondContact O-CA 3.32Å; S98-R101 VanDerWaalsContact O-CB 3.31Å; S98-R101 WeakPolarHBondContact O-CB 3.47Å; S98-R101 PolarHBondContact O-N 3.11Å; S98-C102 PolarHBondContact O-N 2.94Å
99G89.5Confident91.2Very high8 Ų857.8 Ų57.88%0.08227%0.272CS..Hα-helixtrans-54-36.9-176.200000114.6V96 I97 R101 C102 V103V96-G99 WeakPolarHBondContact O-CA 3.49Å; V96-G99 PolarHBondContact O-N 3.31Å; I97-G99 PolarHBondContact O-N 3.44Å; G99-R101 VanDerWaalsContact C-N 3.27Å; G99-R101 PolarHBondContact O-N 3.23Å; G99-C102 WeakPolarHBondContact O-CA 3.35Å; G99-C102 VanDerWaalsContact O-CB 3.3Å; G99-C102 WeakPolarHBondContact O-CB 3.16Å; G99-C102 PolarHBondContact O-N 3.06Å; G99-V103 WeakPolarHBondContact O-CG2 3.42Å; G99-V103 PolarHBondContact O-N 3.46Å
100R92.9Very high91.3Very high86 Ų8656.4 Ų56.433%0.32527%0.266SS..Hα-helixtrans-55.7-41173-180175.3-66.3-68.37.3112.7E84 L87 S98 R104E84-R100 IonicContact OE1-CZ 3.63Å; E84-R100 IonicContact OE1-NH1 3.3Å; E84-R100 PolarHBondContact OE1-NH1 3.34Å; E84-R100 IonicContact OE1-NH2 2.82Å; E84-R100 IonicContact OE2-CZ 3.46Å; E84-R100 VanDerWaalsContact OE2-CZ 3.29Å; E84-R100 IonicContact OE2-NH1 3.6Å; E84-R100 PolarHBondContact OE2-NH1 3.08Å; E84-R100 IonicContact OE2-NH2 2.65Å; E84-R100 PolarHBondContact OE2-NH2 3.18Å; L87-R100 HydrophobicContact CD2-CB 3.97Å; L87-R100 HydrophobicContact CD2-CG 4.43Å; S98-R100 VanDerWaalsContact C-N 3.25Å; S98-R100 PolarHBondContact O-N 2.95Å; S98-R100 VanDerWaalsContact O-N 3.15Å; R100-R104 WeakPolarHBondContact O-CB 3.4Å; R100-R104 WeakPolarHBondContact O-CG 3.38Å; R100-R104 PolarHBondContact O-N 3.42Å
101R92.4Very high91.5Very high202 Ų20261.4 Ų61.476%0.76229%0.291SS*.Hα-helixtrans-67.8-39.6176.5-175.6178.6179.31670111S98 G99 G105S98-R101 WeakPolarHBondContact O-CA 3.32Å; S98-R101 VanDerWaalsContact O-CB 3.31Å; S98-R101 WeakPolarHBondContact O-CB 3.47Å; S98-R101 PolarHBondContact O-N 3.11Å; G99-R101 VanDerWaalsContact C-N 3.27Å; G99-R101 PolarHBondContact O-N 3.23Å; R101-G105 PolarHBondContact O-N 2.97Å
102C92.2Very high91.8Very high0 Ų061.6 Ų61.60%029%0.293CS..Hα-helixtrans-59.9-53.7175.4-172.40000111.6Y64 V96 S98 G99 R104 G105 I106Y64-C102 HydrophobicContact CD2-CB 3.84Å; Y64-C102 HydrophobicContact CE2-CB 3.51Å; Y64-C102 VanDerWaalsContact CE2-SG 3.55Å; V96-C102 HydrophobicContact CG1-CB 4.5Å; S98-C102 PolarHBondContact O-N 2.94Å; G99-C102 WeakPolarHBondContact O-CA 3.35Å; G99-C102 VanDerWaalsContact O-CB 3.3Å; G99-C102 WeakPolarHBondContact O-CB 3.16Å; G99-C102 PolarHBondContact O-N 3.06Å; C102-R104 PolarHBondContact O-N 3.24Å; C102-G105 PolarHBondContact O-N 2.92Å; C102-G105 VanDerWaalsContact O-N 3.14Å; C102-I106 PolarHBondContact O-N 3.04Å
103V94.9Very high92.1Very high2 Ų260.6 Ų60.61%0.01229%0.288CS..Hα-helixtrans-57.3-49.2178178.10000110.8T71 V86 L87 L90 G99 G105 I106 L107T71-V103 HydrophobicContact CG2-CB 4.21Å; T71-V103 HydrophobicContact CG2-CG2 3.65Å; V86-V103 HydrophobicContact CB-CG1 3.88Å; V86-V103 HydrophobicContact CG1-CG1 3.89Å; V86-V103 HydrophobicContact CG1-CG2 4.28Å; L87-V103 HydrophobicContact CB-CG2 4.26Å; L87-V103 HydrophobicContact CD1-CG2 4.19Å; L90-V103 HydrophobicContact CD1-CG2 3.91Å; G99-V103 WeakPolarHBondContact O-CG2 3.42Å; G99-V103 PolarHBondContact O-N 3.46Å; V103-G105 VanDerWaalsContact C-N 3.31Å; V103-G105 PolarHBondContact O-N 3.18Å; V103-I106 PolarHBondContact O-N 3.41Å; V103-L107 HydrophobicContact CG1-CD1 3.92Å; V103-L107 WeakPolarHBondContact O-CD1 3.43Å; V103-L107 PolarHBondContact O-N 2.89Å
104R94.8Very high92.5Very high137 Ų13760.5 Ų60.552%0.51729%0.287SS..Hα-helixtrans-60.5-38.6178.1-75.6-179.8179.3172.3-0.5112.9R100 C102 K108R100-R104 WeakPolarHBondContact O-CB 3.4Å; R100-R104 WeakPolarHBondContact O-CG 3.38Å; R100-R104 PolarHBondContact O-N 3.42Å; C102-R104 PolarHBondContact O-N 3.24Å; R104-K108 WeakPolarHBondContact O-CB 3.48Å; R104-K108 PolarHBondContact O-N 3.17Å
105G94Very high92.8Very high23 Ų2369.8 Ų69.824%0.23732%0.322CS..Hα-helixtrans-62.4-43.3176.200000112.2R101 C102 V103 N109R101-G105 PolarHBondContact O-N 2.97Å; C102-G105 PolarHBondContact O-N 2.92Å; C102-G105 VanDerWaalsContact O-N 3.14Å; V103-G105 VanDerWaalsContact C-N 3.31Å; V103-G105 PolarHBondContact O-N 3.18Å; G105-N109 WeakPolarHBondContact O-CB 3.46Å; G105-N109 VanDerWaalsContact O-CG 3.3Å; G105-N109 PolarHBondContact O-N 2.91Å; G105-N109 VanDerWaalsContact O-N 3.17Å; G105-N109 PolarHBondContact O-ND2 2.89Å
106I94.1Very high93Very high2 Ų273.9 Ų73.91%0.0134%0.343CS..Hα-helixtrans-62.8-52.7176.1-80.3162.3000111.6H68 T71 W72 Y75 C102 V103 K108 N109 C110H68-I106 VanDerWaalsContact CE1-CG1 3.43Å; H68-I106 WeakPolarHBondContact CE1-CG1 3.5Å; H68-I106 VanDerWaalsContact O-CD1 3.28Å; H68-I106 WeakPolarHBondContact O-CD1 3.42Å; T71-I106 HydrophobicContact CG2-CB 4.47Å; T71-I106 HydrophobicContact CG2-CD1 3.32Å; T71-I106 HydrophobicContact CG2-CG1 4.48Å; T71-I106 HydrophobicContact CG2-CG2 4.49Å; W72-I106 HydrophobicContact CB-CD1 4.48Å; W72-I106 HydrophobicContact CE3-CB 4.39Å; W72-I106 HydrophobicContact CE3-CG1 4.43Å; W72-I106 HydrophobicContact CE3-CG2 3.44Å; W72-I106 VanDerWaalsContact CE3-CG2 3.44Å; W72-I106 HydrophobicContact CZ3-CG2 3.91Å; Y75-I106 HydrophobicContact CD1-CG2 3.92Å; Y75-I106 HydrophobicContact CG-CG2 4.23Å; C102-I106 PolarHBondContact O-N 3.04Å; V103-I106 PolarHBondContact O-N 3.41Å; I106-K108 VanDerWaalsContact C-N 3.32Å; I106-K108 PolarHBondContact O-N 3.39Å; I106-N109 PolarHBondContact O-N 3.22Å; I106-N109 VanDerWaalsContact O-N 3.14Å; I106-C110 PolarHBondContact O-N 3.32Å; I106-C110 VanDerWaalsContact O-N 3.15Å
107L94.8Very high93.2Very high31 Ų3178.1 Ų78.116%0.16237%0.37CS..Hα-helixtrans-61.2-41.5179.6-9161.3000111.8Y75 S83 V103 N109 C110Y75-L107 HydrophobicContact CD1-CD1 4.38Å; Y75-L107 HydrophobicContact CD2-CD1 3.33Å; Y75-L107 HydrophobicContact CD2-CG 3.98Å; Y75-L107 HydrophobicContact CE1-CD1 4.47Å; Y75-L107 HydrophobicContact CE2-CD1 3.42Å; Y75-L107 VanDerWaalsContact CE2-CD1 3.42Å; Y75-L107 HydrophobicContact CE2-CD2 4.34Å; Y75-L107 HydrophobicContact CE2-CG 3.51Å; Y75-L107 HydrophobicContact CG-CD1 3.81Å; S83-L107 VanDerWaalsContact CA-CD2 3.48Å; S83-L107 VanDerWaalsContact N-CD2 3.32Å; V103-L107 HydrophobicContact CG1-CD1 3.92Å; V103-L107 WeakPolarHBondContact O-CD1 3.43Å; V103-L107 PolarHBondContact O-N 2.89Å; L107-N109 PolarHBondContact O-N 3.15Å; L107-C110 WeakPolarHBondContact O-CB 3.48Å; L107-C110 PolarHBondContact O-N 3.14Å
108K94.2Very high93.6Very high159 Ų15981.7 Ų81.769%0.69139%0.393SS*.Hα-helixtrans-60-35.5177.8-177-177.8177.2-173.20111.7R104 I106 Q114R104-K108 WeakPolarHBondContact O-CB 3.48Å; R104-K108 PolarHBondContact O-N 3.17Å; I106-K108 VanDerWaalsContact C-N 3.32Å; I106-K108 PolarHBondContact O-N 3.39Å; K108-Q114 PolarHBondContact O-NE2 3.47Å
109N94.6Very high94Very high111 Ų11186.6 Ų86.659%0.59441%0.405SS*.THydrogen-bonded Turntrans-91.90.9-177.3-66.4-19.5000113.5G105 I106 L107 L111G105-N109 WeakPolarHBondContact O-CB 3.46Å; G105-N109 VanDerWaalsContact O-CG 3.3Å; G105-N109 PolarHBondContact O-N 2.91Å; G105-N109 VanDerWaalsContact O-N 3.17Å; G105-N109 PolarHBondContact O-ND2 2.89Å; I106-N109 PolarHBondContact O-N 3.22Å; I106-N109 VanDerWaalsContact O-N 3.14Å; L107-N109 PolarHBondContact O-N 3.15Å; N109-L111 PolarHBondContact O-N 2.97Å
110C96.4Very high94Very high4 Ų490.6 Ų90.63%0.02743%0.429CS..  trans-76.1112.5177.4179.80000111.2W72 Y75 H80 I106 L107 Y112 C113 Q114W72-C110 HydrophobicContact CH2-CB 4.3Å; W72-C110 HydrophobicContact CZ3-CB 4.29Å; Y75-C110 HydrophobicContact CE1-CB 3.73Å; Y75-C110 WeakPolarHBondContact OH-CB 3.47Å; Y75-C110 PolarHBondContact OH-SG 3.19Å; H80-C110 PolarHBondContact CE1-SG 3.25Å; H80-C110 PolarHBondContact ND1-SG 3.29Å; H80-C110 VanDerWaalsContact ND1-SG 3.42Å; I106-C110 PolarHBondContact O-N 3.32Å; I106-C110 VanDerWaalsContact O-N 3.15Å; L107-C110 WeakPolarHBondContact O-CB 3.48Å; L107-C110 PolarHBondContact O-N 3.14Å; C110-Y112 VanDerWaalsContact C-N 3.3Å; C110-Y112 PolarHBondContact O-N 3.14Å; C110-C113 HydrophobicContact CB-CB 4.16Å; C110-C113 PolarHBondContact O-N 2.65Å; C110-Q114 WeakPolarHBondContact O-CG 3.42Å; C110-Q114 PolarHBondContact O-N 3.33Å
111L96.1Very high93.9Very high111 Ų11193.1 Ų93.158%0.58145%0.454SS*.Hα-helixtrans-59.9-37179.8-64.7178.7000113.3N109 Q114 R115N109-L111 PolarHBondContact O-N 2.97Å; L111-Q114 PolarHBondContact O-N 3.26Å; L111-R115 VanDerWaalsContact O-CG 3.29Å; L111-R115 WeakPolarHBondContact O-CG 3.36Å; L111-R115 PolarHBondContact O-N 3.42Å
112Y96.7Very high93.7Very high126 Ų12691.6 Ų91.649%0.49445%0.453SS..Hα-helixtrans-60.5-52.5176.3176.8-95.3000110.8H80 C110 Q114 R115 L116H80-Y112 HydrophobicContact CB-CD1 4.2Å; H80-Y112 HydrophobicContact CB-CE1 4.24Å; H80-Y112 AromaticContact CD2-CD1 3.42Å; H80-Y112 VanDerWaalsContact CD2-CD1 3.42Å; H80-Y112 WeakPolarHBondContact CD2-CD1 3.48Å; H80-Y112 AromaticContact CD2-CE1 3.56Å; H80-Y112 AromaticContact CE1-CD1 3.66Å; H80-Y112 AromaticContact CE1-CG 3.94Å; H80-Y112 AromaticContact CG-CD1 3.5Å; H80-Y112 AromaticContact CG-CE1 3.84Å; H80-Y112 AromaticContact ND1-CD1 3.64Å; H80-Y112 AromaticContact NE2-CD1 3.53Å; H80-Y112 AromaticContact NE2-CG 3.84Å; C110-Y112 VanDerWaalsContact C-N 3.3Å; C110-Y112 PolarHBondContact O-N 3.14Å; Y112-Q114 PolarHBondContact O-N 3.42Å; Y112-R115 PolarHBondContact O-N 3.44Å; Y112-L116 HydrophobicContact CD1-CD1 3.91Å; Y112-L116 HydrophobicContact CE1-CD1 3.29Å; Y112-L116 HydrophobicContact CE1-CG 4.32Å; Y112-L116 HydrophobicContact CE2-CD1 4.3Å; Y112-L116 WeakPolarHBondContact O-CG 3.33Å; Y112-L116 PolarHBondContact O-N 3.29Å; Y112-L116 VanDerWaalsContact O-N 3.14Å
113C95.6Very high93.7Very high25 Ų2596.3 Ų96.317%0.16948%0.484CS..Hα-helixtrans-65.3-37.7177.2-83.40000113.1Y75 C110 R115 L116 T117Y75-C113 PolarHBondContact OH-SG 3.25Å; C110-C113 HydrophobicContact CB-CB 4.16Å; C110-C113 PolarHBondContact O-N 2.65Å; C113-R115 VanDerWaalsContact C-N 3.32Å; C113-R115 PolarHBondContact O-N 3.28Å; C113-L116 PolarHBondContact O-N 2.93Å; C113-T117 WeakPolarHBondContact O-CB 3.47Å; C113-T117 WeakPolarHBondContact O-CG2 3.29Å; C113-T117 PolarHBondContact O-N 3.3Å; C113-T117 PolarHBondContact O-OG1 3.45Å
114Q95.7Very high93.4Very high85 Ų85108.2 Ų108.240%0.39753%0.528SS..Hα-helixtrans-58.1-45.7175-74.8177.414.500111.2K108 C110 L111 Y112 L116 T117 V118K108-Q114 PolarHBondContact O-NE2 3.47Å; C110-Q114 WeakPolarHBondContact O-CG 3.42Å; C110-Q114 PolarHBondContact O-N 3.33Å; L111-Q114 PolarHBondContact O-N 3.26Å; Y112-Q114 PolarHBondContact O-N 3.42Å; Q114-L116 VanDerWaalsContact C-N 3.32Å; Q114-L116 PolarHBondContact O-N 2.88Å; Q114-T117 PolarHBondContact O-N 2.74Å; Q114-V118 WeakPolarHBondContact O-CB 3.49Å; Q114-V118 PolarHBondContact O-N 2.99Å
115R94.9Very high93.3Very high197 Ų197109.2 Ų109.274%0.74354%0.541SS*.Hα-helixtrans-62.2-38.8177.9-72.8173.1-177.6-179.40.7112.5L111 Y112 C113L111-R115 VanDerWaalsContact O-CG 3.29Å; L111-R115 WeakPolarHBondContact O-CG 3.36Å; L111-R115 PolarHBondContact O-N 3.42Å; Y112-R115 PolarHBondContact O-N 3.44Å; C113-R115 VanDerWaalsContact C-N 3.32Å; C113-R115 PolarHBondContact O-N 3.28Å
116L93.2Very high93.1Very high118 Ų118112.3 Ų112.362%0.61856%0.564SS**Hα-helixtrans-74.9-23.1178.5-67.3-178.2000114.1Y112 C113 Q114Y112-L116 HydrophobicContact CD1-CD1 3.91Å; Y112-L116 HydrophobicContact CE1-CD1 3.29Å; Y112-L116 HydrophobicContact CE1-CG 4.32Å; Y112-L116 HydrophobicContact CE2-CD1 4.3Å; Y112-L116 WeakPolarHBondContact O-CG 3.33Å; Y112-L116 PolarHBondContact O-N 3.29Å; Y112-L116 VanDerWaalsContact O-N 3.14Å; C113-L116 PolarHBondContact O-N 2.93Å; Q114-L116 VanDerWaalsContact C-N 3.32Å; Q114-L116 PolarHBondContact O-N 2.88Å
117T91.3Very high93.1Very high104 Ų104119.8 Ų119.864%0.63860%0.604SS**Hα-helixtrans-113.1-0.2-17258.60000113.6C113 Q114 K119C113-T117 WeakPolarHBondContact O-CB 3.47Å; C113-T117 WeakPolarHBondContact O-CG2 3.29Å; C113-T117 PolarHBondContact O-N 3.3Å; C113-T117 PolarHBondContact O-OG1 3.45Å; Q114-T117 PolarHBondContact O-N 2.74Å; T117-K119 PolarHBondContact O-N 3.43Å
118V92.6Very high93Very high109 Ų109122.8 Ų122.866%0.66162%0.62SS**PPolyproline II helixtrans-58128.8178.270.30000109.5Q114Q114-V118 WeakPolarHBondContact O-CB 3.49Å; Q114-V118 PolarHBondContact O-N 2.99Å
119K92.4Very high92.8Very high179 Ų179118.7 Ų118.778%0.77861%0.609SS**PPolyproline II helixtrans-79.5136.4173.9-66.1-173.2178.3-174.70108.6T117 V121T117-K119 PolarHBondContact O-N 3.43Å; K119-V121 PolarHBondContact O-N 3.44Å
120P90Very high92.6Very high92 Ų92119.4 Ų119.460%0.59761%0.613SS**PPolyproline II helixtrans-60.5134.9174.226.1-33000109.4F122P120-F122 HydrophobicContact CG-CE1 4.46Å; P120-F122 HydrophobicContact CG-CE2 4.14Å; P120-F122 HydrophobicContact CG-CZ 3.91Å; P120-F122 PolarHBondContact O-N 3.38Å
121V91.6Very high92.3Very high138 Ų138124.5 Ų124.584%0.83664%0.636SS**  trans-83108.2165179.80000105.8K119 P123K119-V121 PolarHBondContact O-N 3.44Å; V121-P123 WeakPolarHBondContact O-CD 3.25Å
122F88.3Confident91.9Very high171 Ų171127.7 Ų127.775%0.7564%0.64SS**  trans-67.5121.8174.6-64.3-80000108.3P120P120-F122 HydrophobicContact CG-CE1 4.46Å; P120-F122 HydrophobicContact CG-CE2 4.14Å; P120-F122 HydrophobicContact CG-CZ 3.91Å; P120-F122 PolarHBondContact O-N 3.38Å
123P90.5Very high91.5Very high99 Ų99125.8 Ų125.864%0.64364%0.638SS**  trans-60.6145.6174.426.6-32.9000108.9V121 M125V121-P123 WeakPolarHBondContact O-CD 3.25Å; P123-M125 PolarHBondContact O-N 3Å
124R90Very high90.9Very high252 Ų252127.2 Ų127.295%0.95164%0.644SS**  trans-62.4110.3168.6-175.6176.9177.7-176.3-1.7107A126R124-A126 PolarHBondContact O-N 3.38Å
125M92.3Very high90.3Very high157 Ų157132 Ų13277%0.77366%0.664SS**PPolyproline II helixtrans-62.8133.5176.2-62.8-65.4-71.700108.3P123P123-M125 PolarHBondContact O-N 3Å
126A90.9Very high89.9Confident89 Ų89131.5 Ų131.574%0.73667%0.667SS**PPolyproline II helixtrans-63157.617000000109.8R124R124-A126 PolarHBondContact O-N 3.38Å
127D93.9Very high89.5Confident158 Ų158130.7 Ų130.785%0.84566%0.66SS**PPolyproline II helixtrans-55.1143.5170.6-67-35.7000109.6
128L92.1Very high89.5Confident95 Ų95130.6 Ų130.650%0.49766%0.661SS.*PPolyproline II helixtrans-61.6137.9178.3-66.6176.2000109.1I133L128-I133 HydrophobicContact CB-CG2 4.14Å; L128-I133 HydrophobicContact CD1-CG2 4.2Å
129P90.9Very high89.2Confident72 Ų72129.4 Ų129.447%0.46866%0.662SS.*PPolyproline II helixtrans-61.6147.117629.4-35.8000109.6E131 R132P129-E131 VanDerWaalsContact CB-OE2 3.28Å; P129-E131 WeakPolarHBondContact CB-OE2 3.16Å; P129-E131 PolarHBondContact O-N 2.95Å; P129-E131 VanDerWaalsContact O-N 3.13Å; P129-R132 HydrophobicContact CG-CB 4.28Å; P129-R132 WeakPolarHBondContact O-CB 3.44Å; P129-R132 PolarHBondContact O-N 2.83Å
130L90.3Very high89Confident126 Ų126129.9 Ų129.966%0.6667%0.665SS**Hα-helixtrans-54.3-36.7-174.1-79.7165000111.7R132 I133 D134L130-R132 PolarHBondContact O-N 2.98Å; L130-R132 VanDerWaalsContact O-N 3.08Å; L130-I133 HydrophobicContact CD2-CD1 4.2Å; L130-I133 VanDerWaalsContact O-CG1 3.29Å; L130-I133 WeakPolarHBondContact O-CG1 3.36Å; L130-I133 PolarHBondContact O-N 3.08Å; L130-D134 WeakPolarHBondContact O-CB 3.34Å; L130-D134 PolarHBondContact O-N 2.92Å
131E89.5Confident88.9Confident112 Ų112128.2 Ų128.252%0.52366%0.655SS.*Hα-helixtrans-58.3-22.9178.7-59.280.9-17900113P129 N142P129-E131 VanDerWaalsContact CB-OE2 3.28Å; P129-E131 WeakPolarHBondContact CB-OE2 3.16Å; P129-E131 PolarHBondContact O-N 2.95Å; P129-E131 VanDerWaalsContact O-N 3.13Å; E131-N142 HydrophobicContact CB-CB 4.14Å; E131-N142 PolarHBondContact O-ND2 3.39Å
132R87Confident88.8Confident177 Ų177125.3 Ų125.367%0.66864%0.635SS**Hα-helixtrans-89.3-19178.3-156.4-177.4-162.1146.35.6113.5P129 L130P129-R132 HydrophobicContact CG-CB 4.28Å; P129-R132 WeakPolarHBondContact O-CB 3.44Å; P129-R132 PolarHBondContact O-N 2.83Å; L130-R132 PolarHBondContact O-N 2.98Å; L130-R132 VanDerWaalsContact O-N 3.08Å
133I88.7Confident88.8Confident86 Ų86122.1 Ų122.144%0.44163%0.63SS.*Hα-helixtrans-114.2-15.9-175.658.1171.1000113L128 L130 F135L128-I133 HydrophobicContact CB-CG2 4.14Å; L128-I133 HydrophobicContact CD1-CG2 4.2Å; L130-I133 HydrophobicContact CD2-CD1 4.2Å; L130-I133 VanDerWaalsContact O-CG1 3.29Å; L130-I133 WeakPolarHBondContact O-CG1 3.36Å; L130-I133 PolarHBondContact O-N 3.08Å; I133-F135 WeakPolarHBondContact O-CD2 3.24Å; I133-F135 VanDerWaalsContact O-CE2 3.25Å; I133-F135 WeakPolarHBondContact O-CE2 3.39Å; I133-F135 PolarHBondContact O-N 3.13Å
134D83.4Confident88.7Confident56 Ų56121.2 Ų121.230%0.29964%0.638SS.*  trans-85.6105.3179-162.3-11.1000111.7L130 K136 H137L130-D134 WeakPolarHBondContact O-CB 3.34Å; L130-D134 PolarHBondContact O-N 2.92Å; D134-K136 VanDerWaalsContact OD1-CB 3.24Å; D134-K136 WeakPolarHBondContact OD1-CB 3.29Å; D134-K136 WeakPolarHBondContact OD1-CG 3.45Å; D134-K136 PolarHBondContact OD1-N 3.46Å; D134-H137 IonicContact OD2-CD2 2.88Å; D134-H137 IonicContact OD2-NE2 2.78Å; D134-H137 PolarHBondContact OD2-NE2 3.23Å
135F81.9Confident88.7Confident185 Ų185116 Ų11681%0.81163%0.627SS**  trans-91.75.2177.6-56-78.9000113.5I133 H137I133-F135 WeakPolarHBondContact O-CD2 3.24Å; I133-F135 VanDerWaalsContact O-CE2 3.25Å; I133-F135 WeakPolarHBondContact O-CE2 3.39Å; I133-F135 PolarHBondContact O-N 3.13Å; F135-H137 VanDerWaalsContact C-N 3.32Å
136K87.3Confident88.7Confident187 Ų187115.5 Ų115.581%0.81363%0.628SS**  trans-81.4-15.3-177.5-62.5175.8-177.9175.70113D134D134-K136 VanDerWaalsContact OD1-CB 3.24Å; D134-K136 WeakPolarHBondContact OD1-CB 3.29Å; D134-K136 WeakPolarHBondContact OD1-CG 3.45Å; D134-K136 PolarHBondContact OD1-N 3.46Å
137H85.7Confident88.4Confident101 Ų101119.6 Ų119.647%0.46863%0.63SS.*SBendtrans-82.4146.4-180-63.5-68.4000111.8D134 F135D134-H137 IonicContact OD2-CD2 2.88Å; D134-H137 IonicContact OD2-NE2 2.78Å; D134-H137 PolarHBondContact OD2-NE2 3.23Å; F135-H137 VanDerWaalsContact C-N 3.32Å
138P89.8Confident87.9Confident102 Ų102118.6 Ų118.666%0.66262%0.618SS**PPolyproline II helixtrans-55159172.4-24.533.4000112.7F140 S141P138-F140 PolarHBondContact O-N 3.22Å; P138-S141 WeakPolarHBondContact CD-OG 3.28Å; P138-S141 WeakPolarHBondContact O-CB 3.33Å; P138-S141 PolarHBondContact O-N 3.5Å; P138-S141 PolarHBondContact O-OG 2.66Å
139A87.4Confident87.4Confident83 Ų83116.4 Ų116.469%0.68662%0.618SS**THydrogen-bonded Turntrans-51.9143.3173.300000111.2S141A139-S141 VanDerWaalsContact C-N 3.26Å; A139-S141 PolarHBondContact O-N 3.34Å
140F87.1Confident87Confident189 Ų189115.9 Ų115.983%0.82962%0.615SS**THydrogen-bonded Turntrans67.211-178.2-46-77.2000116.7P138P138-F140 PolarHBondContact O-N 3.22Å
141S89Confident86.6Confident58 Ų58114.2 Ų114.241%0.40661%0.606SS.*SBendtrans-68.4-35.3176.1-58.90000113.3P138 A139P138-S141 WeakPolarHBondContact CD-OG 3.28Å; P138-S141 WeakPolarHBondContact O-CB 3.33Å; P138-S141 PolarHBondContact O-N 3.5Å; P138-S141 PolarHBondContact O-OG 2.66Å; A139-S141 VanDerWaalsContact C-N 3.26Å; A139-S141 PolarHBondContact O-N 3.34Å
142N89.2Confident86.3Confident77 Ų77114.3 Ų114.341%0.41261%0.607SS.*SBendtrans-122.6118.7176.3-61.2-37.4000108.7E131E131-N142 HydrophobicContact CB-CB 4.14Å; E131-N142 PolarHBondContact O-ND2 3.39Å
143V88.2Confident86.2Confident104 Ų104108.6 Ų108.663%0.6359%0.591SS**  trans-125.2128.3-177.9-175.80000109.4
144G88.9Confident85.9Confident79 Ų79109.1 Ų109.181%0.81460%0.603SS**  trans-84.6125.3169.400000110
145I90.5Very high85.8Confident143 Ų143108.6 Ų108.673%0.73361%0.606SS**  trans-104126171.6-57.4173.2000106.9F147I145-F147 HydrophobicContact CG2-CE2 4.09Å; I145-F147 HydrophobicContact CG2-CZ 4.37Å
146D91.3Very high85.9Confident147 Ų147109.3 Ų109.379%0.78661%0.611SS**  trans-123.5134.9171.7-17231000108.8
147F85.3Confident85.7Confident175 Ų175112.8 Ų112.877%0.76862%0.619SS**  trans-96.2107.3172.9-69.4-87.5000106.9I145I145-F147 HydrophobicContact CG2-CE2 4.09Å; I145-F147 HydrophobicContact CG2-CZ 4.37Å
148F82.5Confident84.8Confident137 Ų137111 Ų11160%0.60162%0.618SS**PPolyproline II helixtrans-71.1150.8170.383.5-87.5000108.9L151F148-L151 HydrophobicContact CD2-CD2 4.43Å; F148-L151 HydrophobicContact CE2-CD1 4.05Å; F148-L151 HydrophobicContact CE2-CD2 3.23Å; F148-L151 HydrophobicContact CE2-CG 3.29Å; F148-L151 HydrophobicContact CZ-CD1 3.47Å; F148-L151 VanDerWaalsContact CZ-CD1 3.47Å; F148-L151 HydrophobicContact CZ-CD2 3.53Å; F148-L151 HydrophobicContact CZ-CG 3.25Å
149G80.7Confident84.1Confident49 Ų49115.2 Ų115.251%0.50562%0.621SS.*PPolyproline II helixtrans-59.3170.3-172.300000114.4L151G149-L151 PolarHBondContact O-N 3.33Å
150P82.9Confident83.6Confident61 Ų61114.3 Ų114.340%0.39661%0.607SS.*PPolyproline II helixtrans-54.2126.6-172.519.3-30.8000112E152 K161 H162P150-E152 PolarHBondContact O-N 2.91Å; P150-K161 HydrophobicContact CB-CB 3.94Å; P150-K161 HydrophobicContact CB-CD 4.22Å; P150-K161 HydrophobicContact CB-CG 4.23Å; P150-K161 HydrophobicContact CG-CD 4.19Å; P150-H162 WeakPolarHBondContact CA-O 3.39Å
151L83.3Confident83Confident91 Ų91111.3 Ų111.348%0.47659%0.594SS.*EExtended strand (participates in β ladder)trans-73.2127170-73.9172.8000109F148 G149 V153 K161 H162F148-L151 HydrophobicContact CD2-CD2 4.43Å; F148-L151 HydrophobicContact CE2-CD1 4.05Å; F148-L151 HydrophobicContact CE2-CD2 3.23Å; F148-L151 HydrophobicContact CE2-CG 3.29Å; F148-L151 HydrophobicContact CZ-CD1 3.47Å; F148-L151 VanDerWaalsContact CZ-CD1 3.47Å; F148-L151 HydrophobicContact CZ-CD2 3.53Å; F148-L151 HydrophobicContact CZ-CG 3.25Å; G149-L151 PolarHBondContact O-N 3.33Å; L151-V153 HydrophobicContact CB-CG1 4.18Å; L151-V153 PolarHBondContact O-N 2.86Å; L151-K161 WeakPolarHBondContact O-CA 3.49Å; L151-H162 PolarHBondContact N-O 3.27Å; L151-H162 VanDerWaalsContact N-O 3.08Å; L151-H162 PolarHBondContact O-N 3.43Å
152E82.7Confident81.8Confident114 Ų114114.5 Ų114.553%0.53360%0.602SS.*EExtended strand (participates in β ladder)trans-77.2104.4161.9-68.5-167.2172.800108.7P150 R159 K161P150-E152 PolarHBondContact O-N 2.91Å; E152-R159 IonicContact OE2-NH1 3.29Å; E152-R159 PolarHBondContact OE2-NH1 3.22Å; E152-K161 HydrophobicContact CG-CG 4.49Å
153V84.8Confident80.6Confident57 Ų57120.2 Ų120.235%0.34563%0.626SS.*EExtended strand (participates in β ladder)trans-100.6142.8171.1-65.10000109.4L151 A155 V160 H162L151-V153 HydrophobicContact CB-CG1 4.18Å; L151-V153 PolarHBondContact O-N 2.86Å; V153-A155 PolarHBondContact O-N 3Å; V153-V160 PolarHBondContact N-O 2.83Å; V153-V160 PolarHBondContact O-N 3.38Å; V153-H162 HydrophobicContact CG2-CB 4.03Å
154S81.6Confident80.2Confident97 Ų97121.1 Ų121.168%0.67863%0.625SS**EExtended strand (participates in β ladder)trans-82.1114.2173-61.20000108.5S158S154-S158 WeakPolarHBondContact CA-O 3.48Å
155A82Confident79.8Confident44 Ų44123.3 Ų123.336%0.36462%0.615SS.*EExtended strand (participates in β ladder)trans-109.7110.216900000108V153 R157 S158 V160V153-A155 PolarHBondContact O-N 3Å; A155-R157 PolarHBondContact O-N 3.23Å; A155-S158 CarbonylContact C-O 3.57Å; A155-S158 PolarHBondContact N-O 3.08Å; A155-S158 PolarHBondContact O-N 3.49Å; A155-S158 PolarHBondContact O-OG 2.86Å; A155-V160 HydrophobicContact CB-CG2 3.69Å
156E84.6Confident79.2Confident200 Ų200122.2 Ų122.294%0.93561%0.609SS**THydrogen-bonded Turntrans53.7-120.2-172-55.3-179.1169.700112.5S158E156-S158 VanDerWaalsContact C-N 3.34Å
157R81.4Confident78.4Confident260 Ų260120.7 Ų120.798%0.98160%0.598SS**THydrogen-bonded Turntrans-92.17.1178.4-63.3-178.2179.9170.20.9113A155A155-R157 PolarHBondContact O-N 3.23Å
158S67.7Low78Confident63 Ų63117.3 Ų117.344%0.44159%0.588SS.*EExtended strand (participates in β ladder)trans-120.9147.3-174.870.40000112.1S154 A155 E156S154-S158 WeakPolarHBondContact CA-O 3.48Å; A155-S158 CarbonylContact C-O 3.57Å; A155-S158 PolarHBondContact N-O 3.08Å; A155-S158 PolarHBondContact O-N 3.49Å; A155-S158 PolarHBondContact O-OG 2.86Å; E156-S158 VanDerWaalsContact C-N 3.34Å
159R75.2Confident77.7Confident191 Ų191116 Ų11672%0.72159%0.587SS**EExtended strand (participates in β ladder)trans-93.3122.4167.4-73.2-172.6174.9-169.22108.5E152E152-R159 IonicContact OE2-NH1 3.29Å; E152-R159 PolarHBondContact OE2-NH1 3.22Å
160V77.6Confident77.5Confident64 Ų64120.8 Ų120.839%0.38859%0.593SS.*EExtended strand (participates in β ladder)trans-118.9136.8-178.5-157.60000108.4V153 A155 H162V153-V160 PolarHBondContact N-O 2.83Å; V153-V160 PolarHBondContact O-N 3.38Å; A155-V160 HydrophobicContact CB-CG2 3.69Å; V160-H162 PolarHBondContact O-N 2.97Å
161K74.6Confident77.1Confident127 Ų127125.4 Ų125.455%0.55261%0.608SS**EExtended strand (participates in β ladder)trans-77.3113.2173-70.2-173.4-179.5-176.20108.2P150 L151 E152P150-K161 HydrophobicContact CB-CB 3.94Å; P150-K161 HydrophobicContact CB-CD 4.22Å; P150-K161 HydrophobicContact CB-CG 4.23Å; P150-K161 HydrophobicContact CG-CD 4.19Å; L151-K161 WeakPolarHBondContact O-CA 3.49Å; E152-K161 HydrophobicContact CG-CG 4.49Å
162H63.7Low76.6Confident125 Ų125128.3 Ų128.358%0.57962%0.619SS**EExtended strand (participates in β ladder)trans-91.3122.3168.6-133.6-72000108.3P150 L151 V153 V160P150-H162 WeakPolarHBondContact CA-O 3.39Å; L151-H162 PolarHBondContact N-O 3.27Å; L151-H162 VanDerWaalsContact N-O 3.08Å; L151-H162 PolarHBondContact O-N 3.43Å; V153-H162 HydrophobicContact CG2-CB 4.03Å; V160-H162 PolarHBondContact O-N 2.97Å
163H63Low76Confident197 Ų197129.5 Ų129.591%0.91263%0.627SS**  trans-89.70171.6-66.6-74.1000110.2

Retrieved 163 of 163 residues in 248.6 ms (Link to these results)

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