A0A087WU25_HUMAN Loading...

medium-chain acyl-CoA ligase

AlphaFold DB , UniProt , Accession A0A087WU25, Species HUMAN (Homo sapiens, Human), Gene ACSM2B, Length 200 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
1E92.6Very high97.2Very high126 Ų12659.8 Ų59.859%0.58931%0.305SS*.  0148067-174.3-177.700110.7F192 S193 G194 V196E1-F192 WeakPolarHBondContact O-CB 3.44Å; E1-S193 PolarHBondContact O-N 2.85Å; E1-G194 PolarHBondContact N-O 2.64Å; E1-V196 HydrophobicContact CB-CG2 3.72Å; E1-V196 HydrophobicContact CG-CG2 4.36Å
2H97.1Very high97.2Very high60 Ų6067 Ų6728%0.27833%0.332SS..  trans-101.5142.1173.3-76.7-81.2000110.3S6 L7 T133H2-S6 WeakPolarHBondContact CA-OG 3.25Å; H2-S6 WeakPolarHBondContact CB-OG 3.46Å; H2-S6 PolarHBondContact ND1-OG 3.08Å; H2-L7 HydrophobicContact CB-CD1 3.68Å; H2-L7 HydrophobicContact CB-CD2 4.43Å; H2-L7 HydrophobicContact CB-CG 3.84Å; H2-T133 PolarHBondContact CE1-O 2.61Å; H2-T133 PolarHBondContact NE2-O 2.86Å
3S97.9Very high97.2Very high33 Ų3367.4 Ų67.423%0.23133%0.334CS..  trans-85.2161.9166.173.20000111.1S5 S6 L7S3-S5 PolarHBondContact O-N 2.9Å; S3-S5 PolarHBondContact OG-N 3.47Å; S3-S5 PolarHBondContact OG-OG 3.36Å; S3-S5 VanDerWaalsContact OG-OG 3.08Å; S3-S6 PolarHBondContact N-OG 3.09Å; S3-S6 PolarHBondContact O-N 2.8Å; S3-S6 VanDerWaalsContact O-N 3.11Å; S3-S6 PolarHBondContact O-OG 3.36Å; S3-S6 WeakPolarHBondContact OG-CB 3.43Å; S3-S6 PolarHBondContact OG-N 2.85Å; S3-S6 PolarHBondContact OG-OG 3.46Å; S3-L7 PolarHBondContact O-N 2.95Å
4Y97.9Very high97.1Very high229 Ų22963.6 Ų63.690%0.89832%0.316SS*.Hα-helixtrans-50.7-41.4171.2-66.8-79.1000112.8G8Y4-G8 PolarHBondContact O-N 3.3Å
5S97.4Very high97Very high56 Ų5661.5 Ų61.539%0.39231%0.313SS..Iπ-helixtrans-76.3-32.8179.955.80000113.3S3 L7 L9 K10S3-S5 PolarHBondContact O-N 2.9Å; S3-S5 PolarHBondContact OG-N 3.47Å; S3-S5 PolarHBondContact OG-OG 3.36Å; S3-S5 VanDerWaalsContact OG-OG 3.08Å; S5-L7 PolarHBondContact O-N 3.03Å; S5-L9 WeakPolarHBondContact O-CB 3.47Å; S5-L9 PolarHBondContact O-N 3.43Å; S5-K10 PolarHBondContact O-N 3.49Å; S5-K10 VanDerWaalsContact O-N 3.15Å
6S97.5Very high96.9Very high3 Ų359.3 Ų59.32%0.02131%0.309CS..Iπ-helixtrans-63.7-25178.770.70000112.9H2 S3 K10 G190 I191H2-S6 WeakPolarHBondContact CA-OG 3.25Å; H2-S6 WeakPolarHBondContact CB-OG 3.46Å; H2-S6 PolarHBondContact ND1-OG 3.08Å; S3-S6 PolarHBondContact N-OG 3.09Å; S3-S6 PolarHBondContact O-N 2.8Å; S3-S6 VanDerWaalsContact O-N 3.11Å; S3-S6 PolarHBondContact O-OG 3.36Å; S3-S6 WeakPolarHBondContact OG-CB 3.43Å; S3-S6 PolarHBondContact OG-N 2.85Å; S3-S6 PolarHBondContact OG-OG 3.46Å; S6-K10 WeakPolarHBondContact O-CB 3.24Å; S6-G190 WeakPolarHBondContact O-CA 3.41Å; S6-I191 WeakPolarHBondContact CB-O 3.48Å
7L97.9Very high96.9Very high36 Ų3657.8 Ų57.819%0.18830%0.299CS..Iπ-helixtrans-105.9-64.5174.8-61.6175.9000111.4H2 S3 S5 K10 A11 I35 L39 L43H2-L7 HydrophobicContact CB-CD1 3.68Å; H2-L7 HydrophobicContact CB-CD2 4.43Å; H2-L7 HydrophobicContact CB-CG 3.84Å; S3-L7 PolarHBondContact O-N 2.95Å; S5-L7 PolarHBondContact O-N 3.03Å; L7-K10 PolarHBondContact O-N 3.27Å; L7-A11 VanDerWaalsContact O-CB 3.3Å; L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 3.34Å; L7-I35 HydrophobicContact CD2-CD1 4.33Å; L7-L39 HydrophobicContact CD2-CD2 3.81Å; L7-L39 HydrophobicContact CD2-CG 4.46Å; L7-L43 HydrophobicContact CB-CD1 3.97Å
8G97.8Very high96.9Very high28 Ų2854.6 Ų54.629%0.28928%0.282SS..Iπ-helixtrans-67.3-46.8-169.800000113.7Y4 K12Y4-G8 PolarHBondContact O-N 3.3Å; G8-K12 PolarHBondContact O-N 3.4Å; G8-K12 VanDerWaalsContact O-N 3.08Å
9L97.8Very high96.9Very high76 Ų7652.1 Ų52.140%0.39827%0.271SS..Iπ-helixtrans-70.3-39.7178.1-177.259.9000111.2S5 K12 M13 I189S5-L9 WeakPolarHBondContact O-CB 3.47Å; S5-L9 PolarHBondContact O-N 3.43Å; L9-K12 PolarHBondContact O-N 3.34Å; L9-M13 HydrophobicContact CG-SD 4.15Å; L9-M13 VanDerWaalsContact O-CG 3.32Å; L9-M13 WeakPolarHBondContact O-CG 3.31Å; L9-M13 PolarHBondContact O-N 3.16Å; L9-I189 HydrophobicContact CB-CG2 4.38Å; L9-I189 HydrophobicContact CD2-CD1 3.77Å; L9-I189 HydrophobicContact CD2-CG2 4.39Å; L9-I189 HydrophobicContact CG-CD1 4.42Å; L9-I189 HydrophobicContact CG-CG2 4.27Å
10K97.9Very high97Very high5 Ų549.8 Ų49.82%0.02226%0.259CS..Hα-helixtrans-58.8-49.5174.7-176.153.7161.578.50111.6S5 S6 L7 K12 M13 D14 I189S5-K10 PolarHBondContact O-N 3.49Å; S5-K10 VanDerWaalsContact O-N 3.15Å; S6-K10 WeakPolarHBondContact O-CB 3.24Å; L7-K10 PolarHBondContact O-N 3.27Å; K10-K12 VanDerWaalsContact C-N 3.25Å; K10-K12 PolarHBondContact O-N 3.34Å; K10-M13 WeakPolarHBondContact O-CB 3.36Å; K10-M13 PolarHBondContact O-N 3.06Å; K10-D14 WeakPolarHBondContact CG-OD2 3.43Å; K10-D14 IonicContact NZ-OD1 3.19Å; K10-D14 PolarHBondContact NZ-OD1 3.27Å; K10-D14 IonicContact NZ-OD2 2.82Å; K10-D14 PolarHBondContact NZ-OD2 3.06Å; K10-D14 PolarHBondContact O-N 2.75Å; K10-I189 HydrophobicContact CB-CG2 4.07Å; K10-I189 WeakPolarHBondContact CD-O 3.48Å
11A97.4Very high97Very high6 Ų653 Ų535%0.0527%0.273CS..Hα-helixtrans-59.6-37.1177.100000112.2L7 M13 D14 A15 L43L7-A11 VanDerWaalsContact O-CB 3.3Å; L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 3.34Å; A11-M13 VanDerWaalsContact C-N 3.34Å; A11-M13 PolarHBondContact O-N 3.03Å; A11-D14 PolarHBondContact O-N 3.34Å; A11-A15 WeakPolarHBondContact O-CA 3.48Å; A11-A15 PolarHBondContact O-N 3.44Å; A11-L43 HydrophobicContact CB-CB 3.53Å; A11-L43 HydrophobicContact CB-CD1 4.06Å; A11-L43 HydrophobicContact CB-CG 4.34Å
12K97.5Very high97.3Very high146 Ų14650.1 Ų50.164%0.63527%0.27SS*.Hα-helixtrans-64.7-35.6173.4-174.1172.4-178.6178.20113.9G8 L9 K10 T47G8-K12 PolarHBondContact O-N 3.4Å; G8-K12 VanDerWaalsContact O-N 3.08Å; L9-K12 PolarHBondContact O-N 3.34Å; K10-K12 VanDerWaalsContact C-N 3.25Å; K10-K12 PolarHBondContact O-N 3.34Å; K12-T47 VanDerWaalsContact CA-CG2 3.48Å; K12-T47 HydrophobicContact CB-CG2 3.71Å; K12-T47 HydrophobicContact CG-CG2 3.7Å
13M96.9Very high97.3Very high72 Ų7252.5 Ų52.536%0.35529%0.294SS..Hα-helixtrans-72.7-32.3175.6-67.1166.760.800112.3L9 K10 A11 C158 I189L9-M13 HydrophobicContact CG-SD 4.15Å; L9-M13 VanDerWaalsContact O-CG 3.32Å; L9-M13 WeakPolarHBondContact O-CG 3.31Å; L9-M13 PolarHBondContact O-N 3.16Å; K10-M13 WeakPolarHBondContact O-CB 3.36Å; K10-M13 PolarHBondContact O-N 3.06Å; A11-M13 VanDerWaalsContact C-N 3.34Å; A11-M13 PolarHBondContact O-N 3.03Å; M13-C158 HydrophobicContact CE-CB 4.23Å; M13-C158 WeakPolarHBondContact CE-SG 3.42Å; M13-I189 HydrophobicContact CE-CD1 4.4Å; M13-I189 HydrophobicContact SD-CB 4.19Å; M13-I189 HydrophobicContact SD-CD1 3.81Å; M13-I189 HydrophobicContact SD-CG2 3.93Å
14D95.8Very high97.3Very high14 Ų1451.7 Ų51.78%0.07529%0.287CS..Hα-helixtrans-87.4-11.6180-62.3-29.8000113.9K10 A11 G16 W17 L137K10-D14 WeakPolarHBondContact CG-OD2 3.43Å; K10-D14 IonicContact NZ-OD1 3.19Å; K10-D14 PolarHBondContact NZ-OD1 3.27Å; K10-D14 IonicContact NZ-OD2 2.82Å; K10-D14 PolarHBondContact NZ-OD2 3.06Å; K10-D14 PolarHBondContact O-N 2.75Å; A11-D14 PolarHBondContact O-N 3.34Å; D14-G16 PolarHBondContact O-N 3.35Å; D14-W17 WeakPolarHBondContact O-CB 3.38Å; D14-W17 VanDerWaalsContact O-CD1 3.28Å; D14-W17 PolarHBondContact O-N 2.95Å; D14-L137 HydrophobicContact CB-CD2 4.48Å
15A95.9Very high97.4Very high33 Ų3342.6 Ų42.627%0.27325%0.253SS..THydrogen-bonded Turntrans-47.1122.5-167.800000112.6A11 T47 L48A11-A15 WeakPolarHBondContact O-CA 3.48Å; A11-A15 PolarHBondContact O-N 3.44Å; A15-T47 HydrophobicContact CB-CG2 3.97Å; A15-L48 HydrophobicContact CB-CD2 3.86Å; A15-L48 HydrophobicContact CB-CG 4.11Å
16G95.1Very high97.5Very high25 Ų2539.9 Ų39.926%0.25824%0.235SC..THydrogen-bonded Turntrans95.21.8179.700000114.2D14 T18 G19 E44D14-G16 PolarHBondContact O-N 3.35Å; G16-T18 PolarHBondContact O-N 3.05Å; G16-G19 WeakPolarHBondContact O-CA 3.1Å; G16-G19 PolarHBondContact O-N 2.57Å; G16-E44 WeakPolarHBondContact CA-OE1 3.36Å; G16-E44 PolarHBondContact N-OE1 3.45Å
17W96.2Very high97.5Very high34 Ų3440 Ų4013%0.12923%0.234CC..THydrogen-bonded Turntrans-57.6-31.817474.3-86.8000112.1D14 G19 E44 M78 R127 F129 L137 M140D14-W17 WeakPolarHBondContact O-CB 3.38Å; D14-W17 VanDerWaalsContact O-CD1 3.28Å; D14-W17 PolarHBondContact O-N 2.95Å; W17-G19 PolarHBondContact O-N 3.02Å; W17-E44 VanDerWaalsContact CD1-OE2 3.22Å; W17-E44 PolarHBondContact NE1-OE2 3.45Å; W17-M78 HydrophobicContact CH2-SD 4.12Å; W17-M78 HydrophobicContact CZ2-SD 4.18Å; W17-R127 PolarHBondContact O-NH1 3.19Å; W17-R127 VanDerWaalsContact O-NH1 3.07Å; W17-F129 HydrophobicContact CH2-CB 3.9Å; W17-F129 AromaticContact CH2-CD1 3.65Å; W17-F129 HydrophobicContact CH2-CD1 3.65Å; W17-F129 HydrophobicContact CH2-CD2 4.23Å; W17-F129 HydrophobicContact CH2-CE1 4.22Å; W17-F129 AromaticContact CH2-CG 3.65Å; W17-F129 HydrophobicContact CH2-CG 3.65Å; W17-F129 HydrophobicContact CZ3-CB 3.8Å; W17-F129 HydrophobicContact CZ3-CD1 4.07Å; W17-F129 HydrophobicContact CZ3-CG 4.05Å; W17-L137 HydrophobicContact CB-CD2 4.49Å; W17-L137 HydrophobicContact CD2-CD2 3.57Å; W17-L137 HydrophobicContact CE3-CD1 4.4Å; W17-L137 HydrophobicContact CE3-CD2 4.12Å; W17-L137 HydrophobicContact CG-CD2 3.75Å; W17-L137 HydrophobicContact CH2-CD1 4.04Å; W17-L137 HydrophobicContact CZ2-CD1 4.14Å; W17-L137 HydrophobicContact CZ2-CD2 4.23Å; W17-L137 HydrophobicContact CZ3-CD1 4.18Å; W17-M140 HydrophobicContact CB-CE 4.29Å; W17-M140 HydrophobicContact CE3-CB 4.09Å; W17-M140 HydrophobicContact CE3-CG 4.08Å; W17-M140 HydrophobicContact CZ3-CB 4.17Å
18T97.5Very high97.6Very high0 Ų038.6 Ų38.60%023%0.228CC..THydrogen-bonded Turntrans-69.2-9.9174.661.20000113.3G16 L20 M26 E44 N102 L104 R127G16-T18 PolarHBondContact O-N 3.05Å; T18-L20 VanDerWaalsContact C-N 3.26Å; T18-L20 VanDerWaalsContact OG1-CB 3.23Å; T18-L20 WeakPolarHBondContact OG1-CB 3.43Å; T18-L20 PolarHBondContact OG1-N 3.38Å; T18-M26 HydrophobicContact CG2-CE 3.84Å; T18-M26 HydrophobicContact CG2-SD 4.41Å; T18-E44 HydrophobicContact CG2-CG 3.78Å; T18-E44 WeakPolarHBondContact CG2-OE1 3.36Å; T18-E44 PolarHBondContact N-OE1 2.92Å; T18-E44 PolarHBondContact OG1-OE1 2.97Å; T18-N102 WeakPolarHBondContact O-CB 3.45Å; T18-L104 HydrophobicContact CG2-CD2 4.49Å; T18-L104 HydrophobicContact CG2-CG 4.42Å; T18-R127 VanDerWaalsContact C-NH2 3.34Å; T18-R127 PolarHBondContact O-NH2 2.88Å
19G97.2Very high97.6Very high7 Ų738 Ų387%0.07222%0.218CC..SBendtrans78.58-173.700000114.6G16 W17 N102 K143G16-G19 WeakPolarHBondContact O-CA 3.1Å; G16-G19 PolarHBondContact O-N 2.57Å; W17-G19 PolarHBondContact O-N 3.02Å; G19-N102 PolarHBondContact O-ND2 3.34Å; G19-N102 VanDerWaalsContact O-ND2 3.15Å; G19-K143 PolarHBondContact O-NZ 3.22Å
20L97.9Very high97.6Very high7 Ų735.7 Ų35.74%0.03721%0.208CC..  trans-69.7147.9172.9-168.871.7000111.3T18 D24 M26 L48 A50 S76T18-L20 VanDerWaalsContact C-N 3.26Å; T18-L20 VanDerWaalsContact OG1-CB 3.23Å; T18-L20 WeakPolarHBondContact OG1-CB 3.43Å; T18-L20 PolarHBondContact OG1-N 3.38Å; L20-D24 HydrophobicContact CD1-CB 3.39Å; L20-D24 HydrophobicContact CG-CB 4.14Å; L20-M26 HydrophobicContact CD1-CB 3.82Å; L20-M26 HydrophobicContact CD2-CB 3.78Å; L20-M26 HydrophobicContact CD2-CG 4.44Å; L20-M26 HydrophobicContact CD2-SD 3.99Å; L20-M26 HydrophobicContact CG-CB 4.47Å; L20-L48 HydrophobicContact CB-CD1 3.93Å; L20-L48 HydrophobicContact CD2-CD1 4.08Å; L20-L48 HydrophobicContact CG-CD1 4.19Å; L20-A50 HydrophobicContact CD2-CB 3.62Å; L20-A50 HydrophobicContact CG-CB 3.97Å; L20-S76 WeakPolarHBondContact CD1-OG 3.25Å
21Q97.9Very high97.6Very high118 Ų11839.8 Ų39.855%0.55123%0.23SC*.  trans-124.1166.8175.5-53.7-170.1-47.100111.6S23 D24 A50Q21-S23 PolarHBondContact O-N 3.43Å; Q21-S23 VanDerWaalsContact O-N 3.11Å; Q21-D24 WeakPolarHBondContact CB-OD2 3.28Å; Q21-D24 PolarHBondContact N-OD2 3.33Å; Q21-D24 VanDerWaalsContact O-CB 3.31Å; Q21-D24 WeakPolarHBondContact O-CB 3.45Å; Q21-D24 PolarHBondContact O-N 2.67Å; Q21-A50 VanDerWaalsContact O-CB 3.3Å; Q21-A50 WeakPolarHBondContact O-CB 3.48Å
22A98.1Very high97.6Very high64 Ų6445 Ų4553%0.52926%0.262SS..THydrogen-bonded Turntrans-57.1-29.6-172.800000115.2L48 G49 A50A22-L48 VanDerWaalsContact CA-O 3.31Å; A22-L48 WeakPolarHBondContact CA-O 3.38Å; A22-L48 WeakPolarHBondContact CB-O 3.39Å; A22-G49 CarbonylContact O-C 3.52Å; A22-G49 VanDerWaalsContact O-O 3.06Å; A22-A50 WeakPolarHBondContact O-CA 3.31Å
23S98Very high97.6Very high110 Ų11041.2 Ų41.277%0.76926%0.264SS*.THydrogen-bonded Turntrans-96.24.7179.155.50000114Q21Q21-S23 PolarHBondContact O-N 3.43Å; Q21-S23 VanDerWaalsContact O-N 3.11Å
24D98.6Very high97.7Very high17 Ų1745 Ų459%0.09127%0.274CS..  trans-90.7164.8-174.1-67.1-23.7000112.4L20 Q21 C51 K75L20-D24 HydrophobicContact CD1-CB 3.39Å; L20-D24 HydrophobicContact CG-CB 4.14Å; Q21-D24 WeakPolarHBondContact CB-OD2 3.28Å; Q21-D24 PolarHBondContact N-OD2 3.33Å; Q21-D24 VanDerWaalsContact O-CB 3.31Å; Q21-D24 WeakPolarHBondContact O-CB 3.45Å; Q21-D24 PolarHBondContact O-N 2.67Å; D24-C51 PolarHBondContact O-N 2.58Å; D24-K75 HydrophobicContact CB-CB 3.92Å; D24-K75 HydrophobicContact CB-CG 4.05Å
25I98.8Very high97.8Very high37 Ų3746 Ų4619%0.1928%0.279CS..EExtended strand (participates in β ladder)trans-113.1124.3172.8-54.3-177.1000109.1C51 F53 P73 I74 K75 S76I25-C51 WeakPolarHBondContact CA-O 3.19Å; I25-C51 HydrophobicContact CB-CB 4.49Å; I25-C51 HydrophobicContact CG1-CB 4.02Å; I25-F53 HydrophobicContact CG2-CB 3.65Å; I25-F53 HydrophobicContact CG2-CD2 4.42Å; I25-F53 HydrophobicContact CG2-CG 4.43Å; I25-P73 HydrophobicContact CD1-CG 3.98Å; I25-I74 HydrophobicContact CG2-CG1 4.42Å; I25-K75 PolarHBondContact O-N 3.31Å; I25-S76 PolarHBondContact O-N 2.99Å; I25-S76 VanDerWaalsContact O-N 3.14Å
26M98.8Very high97.9Very high0 Ų045.7 Ų45.70%027%0.273CS..EExtended strand (participates in β ladder)trans-105.8129.8173.6-169.9172.6179.500111T18 L20 E44 S45 C51 F53 S76 M78T18-M26 HydrophobicContact CG2-CE 3.84Å; T18-M26 HydrophobicContact CG2-SD 4.41Å; L20-M26 HydrophobicContact CD1-CB 3.82Å; L20-M26 HydrophobicContact CD2-CB 3.78Å; L20-M26 HydrophobicContact CD2-CG 4.44Å; L20-M26 HydrophobicContact CD2-SD 3.99Å; L20-M26 HydrophobicContact CG-CB 4.47Å; M26-E44 HydrophobicContact SD-CG 4.08Å; M26-S45 WeakPolarHBondContact CB-OG 3.31Å; M26-C51 PolarHBondContact N-O 3.17Å; M26-F53 PolarHBondContact O-N 3.12Å; M26-S76 CarbonylContact C-O 3.48Å; M26-S76 VanDerWaalsContact CA-O 3.31Å; M26-S76 WeakPolarHBondContact CA-O 3.46Å; M26-M78 HydrophobicContact CE-CB 3.57Å; M26-M78 HydrophobicContact CE-CE 3.69Å; M26-M78 HydrophobicContact CE-CG 4.34Å; M26-M78 HydrophobicContact CE-SD 3.87Å
27W98.8Very high98Very high4 Ų446.4 Ų46.42%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-108.1108.3168.3-174.517000110.6I29 F53 H55 I65 T68 L69 I74 S76 M77 M78W27-I29 HydrophobicContact CD2-CD1 4.29Å; W27-I29 HydrophobicContact CD2-CG1 3.94Å; W27-I29 HydrophobicContact CE3-CD1 4.34Å; W27-I29 HydrophobicContact CE3-CG1 4.5Å; W27-I29 HydrophobicContact CG-CG1 4.29Å; W27-I29 HydrophobicContact CH2-CD1 4.34Å; W27-I29 HydrophobicContact CZ2-CD1 4.21Å; W27-I29 HydrophobicContact CZ2-CG1 3.96Å; W27-I29 HydrophobicContact CZ3-CD1 4.39Å; W27-F53 HydrophobicContact CB-CB 4.13Å; W27-F53 HydrophobicContact CB-CD1 4.11Å; W27-F53 AromaticContact CD1-CD1 3.81Å; W27-F53 AromaticContact CD2-CD1 3.96Å; W27-F53 HydrophobicContact CD2-CD1 3.96Å; W27-F53 HydrophobicContact CD2-CE1 4.29Å; W27-F53 HydrophobicContact CG-CB 4.49Å; W27-F53 AromaticContact CG-CD1 3.7Å; W27-F53 HydrophobicContact CG-CD1 3.7Å; W27-F53 HydrophobicContact CG-CE1 4.49Å; W27-H55 HydrophobicContact CZ2-CB 3.68Å; W27-I65 HydrophobicContact CH2-CB 4.19Å; W27-I65 HydrophobicContact CH2-CG1 4.13Å; W27-I65 HydrophobicContact CH2-CG2 3.93Å; W27-I65 HydrophobicContact CZ3-CG2 3.89Å; W27-T68 HydrophobicContact CE3-CG2 4.05Å; W27-T68 HydrophobicContact CH2-CG2 3.58Å; W27-T68 HydrophobicContact CZ2-CG2 4.29Å; W27-T68 HydrophobicContact CZ3-CG2 3.45Å; W27-T68 VanDerWaalsContact CZ3-CG2 3.45Å; W27-L69 HydrophobicContact CE3-CD2 3.89Å; W27-L69 HydrophobicContact CE3-CG 4.25Å; W27-L69 HydrophobicContact CZ3-CD2 4.19Å; W27-L69 HydrophobicContact CZ3-CG 4.03Å; W27-I74 HydrophobicContact CB-CD1 3.98Å; W27-I74 HydrophobicContact CB-CG1 4.45Å; W27-I74 HydrophobicContact CB-CG2 3.81Å; W27-I74 HydrophobicContact CD2-CD1 4.05Å; W27-I74 HydrophobicContact CE3-CD1 3.52Å; W27-I74 HydrophobicContact CG-CD1 4.3Å; W27-I74 HydrophobicContact CZ3-CD1 4.27Å; W27-S76 PolarHBondContact N-O 2.71Å; W27-M77 CarbonylContact O-C 3.6Å; W27-M77 VanDerWaalsContact O-CA 3.31Å; W27-M77 WeakPolarHBondContact O-CA 3.47Å; W27-M78 PolarHBondContact O-N 2.92Å
28T98.7Very high98.1Very high7 Ų747.5 Ų47.54%0.04328%0.279CS..EExtended strand (participates in β ladder)trans-93.9116.7169.7-62.30000109.4S30 L36 G40 S41 M78T28-S30 PolarHBondContact O-N 3.17Å; T28-L36 HydrophobicContact CG2-CD2 4.46Å; T28-L36 HydrophobicContact CG2-CG 4.13Å; T28-G40 PolarHBondContact OG1-O 2.69Å; T28-S41 PolarHBondContact OG1-N 3.36Å; T28-M78 CarbonylContact C-O 3.53Å; T28-M78 WeakPolarHBondContact CA-O 3.38Å; T28-M78 HydrophobicContact CG2-CE 3.63Å; T28-M78 WeakPolarHBondContact OG1-CE 3.5Å
29I98.5Very high98.1Very high16 Ų1649.2 Ų49.28%0.08229%0.288CS..  trans-91.194.4176-56.7168.8000107.2W27 L57 F60 I65 M77 M78 V83W27-I29 HydrophobicContact CD2-CD1 4.29Å; W27-I29 HydrophobicContact CD2-CG1 3.94Å; W27-I29 HydrophobicContact CE3-CD1 4.34Å; W27-I29 HydrophobicContact CE3-CG1 4.5Å; W27-I29 HydrophobicContact CG-CG1 4.29Å; W27-I29 HydrophobicContact CH2-CD1 4.34Å; W27-I29 HydrophobicContact CZ2-CD1 4.21Å; W27-I29 HydrophobicContact CZ2-CG1 3.96Å; W27-I29 HydrophobicContact CZ3-CD1 4.39Å; I29-L57 HydrophobicContact CG2-CD2 4.35Å; I29-F60 HydrophobicContact CG2-CE2 3.74Å; I29-F60 HydrophobicContact CG2-CZ 4.43Å; I29-I65 HydrophobicContact CD1-CD1 4.42Å; I29-I65 HydrophobicContact CD1-CG2 3.96Å; I29-M77 HydrophobicContact CD1-CE 4.45Å; I29-M78 PolarHBondContact N-O 2.83Å; I29-V83 HydrophobicContact CD1-CG1 3.94Å; I29-V83 HydrophobicContact CG2-CG2 4.45Å
30S97.9Very high98Very high27 Ų2749 Ų4919%0.18929%0.286CS..  trans-144146.9-176.1-176.50000110.9T28 N37T28-S30 PolarHBondContact O-N 3.17Å; S30-N37 PolarHBondContact OG-N 3.2Å
31D97.8Very high98Very high92 Ų9249 Ų4949%0.49229%0.286SS..  trans-62.9145160.1-172.1-82.8000109.6G33 W34 N37D31-G33 VanDerWaalsContact C-N 3.26Å; D31-G33 PolarHBondContact O-N 3.07Å; D31-G33 WeakPolarHBondContact OD1-CA 3.4Å; D31-G33 PolarHBondContact OD1-N 2.82Å; D31-W34 HydrophobicContact CB-CD2 3.93Å; D31-W34 HydrophobicContact CB-CE3 4.39Å; D31-W34 HydrophobicContact CB-CG 4.1Å; D31-W34 PolarHBondContact O-N 3.32Å; D31-N37 WeakPolarHBondContact O-CB 3.49Å
32T97.9Very high98Very high116 Ų11646.1 Ų46.171%0.71227%0.274SS*.THydrogen-bonded Turntrans-71.2-20.9-176.155.40000113.3W34T32-W34 VanDerWaalsContact C-N 3.35Å
33G97.8Very high98Very high66 Ų6644.5 Ų44.568%0.6826%0.257SS*.THydrogen-bonded Turntrans-80.3-10175.400000114.5D31D31-G33 VanDerWaalsContact C-N 3.26Å; D31-G33 PolarHBondContact O-N 3.07Å; D31-G33 WeakPolarHBondContact OD1-CA 3.4Å; D31-G33 PolarHBondContact OD1-N 2.82Å
34W97.9Very high98Very high150 Ų15039.4 Ų39.457%0.56822%0.22SC*.SBendtrans-86.4145.2178.5-65.5-5.2000112.1D31 T32 L36 N37D31-W34 HydrophobicContact CB-CD2 3.93Å; D31-W34 HydrophobicContact CB-CE3 4.39Å; D31-W34 HydrophobicContact CB-CG 4.1Å; D31-W34 PolarHBondContact O-N 3.32Å; T32-W34 VanDerWaalsContact C-N 3.35Å; W34-L36 HydrophobicContact CB-CB 4.44Å; W34-L36 PolarHBondContact O-N 2.86Å; W34-L36 VanDerWaalsContact O-N 3.11Å; W34-N37 WeakPolarHBondContact O-CB 3.47Å; W34-N37 PolarHBondContact O-N 2.9Å
35I98.1Very high97.9Very high36 Ų3638.6 Ų38.619%0.18522%0.216CC..Hα-helixtrans-60-25.5176.3-161.6170.1000112.5L7 N37 I38 L39 T133L7-I35 HydrophobicContact CD2-CD1 4.33Å; I35-N37 PolarHBondContact O-N 3.15Å; I35-I38 HydrophobicContact CG1-CG2 3.95Å; I35-I38 WeakPolarHBondContact O-CG2 3.39Å; I35-I38 PolarHBondContact O-N 3.42Å; I35-L39 HydrophobicContact CD1-CD1 4.2Å; I35-L39 HydrophobicContact CG1-CD1 3.93Å; I35-L39 HydrophobicContact CG1-CG 4.17Å; I35-L39 PolarHBondContact O-N 2.91Å; I35-T133 HydrophobicContact CD1-CG2 4.29Å; I35-T133 WeakPolarHBondContact CD1-O 3.33Å
36L98.1Very high97.9Very high27 Ų2744.2 Ų44.214%0.14124%0.235CC..Hα-helixtrans-56.1-36.3173.6-176.464.6000111.9T28 W34 G40 M78 F129T28-L36 HydrophobicContact CG2-CD2 4.46Å; T28-L36 HydrophobicContact CG2-CG 4.13Å; W34-L36 HydrophobicContact CB-CB 4.44Å; W34-L36 PolarHBondContact O-N 2.86Å; W34-L36 VanDerWaalsContact O-N 3.11Å; L36-G40 WeakPolarHBondContact O-CA 3.36Å; L36-G40 PolarHBondContact O-N 3.23Å; L36-M78 HydrophobicContact CD1-CE 3.38Å; L36-M78 HydrophobicContact CD1-CG 4.4Å; L36-M78 HydrophobicContact CD1-SD 3.92Å; L36-M78 HydrophobicContact CG-CE 4.1Å; L36-F129 HydrophobicContact CD1-CE2 3.91Å; L36-F129 HydrophobicContact CD1-CZ 3.7Å
37N98.3Very high97.8Very high40 Ų4046.7 Ų46.721%0.21425%0.25CS..Iπ-helixtrans-66.8-47-179.3-17261.3000111.7S30 D31 W34 I35 S41 L42S30-N37 PolarHBondContact OG-N 3.2Å; D31-N37 WeakPolarHBondContact O-CB 3.49Å; W34-N37 WeakPolarHBondContact O-CB 3.47Å; W34-N37 PolarHBondContact O-N 2.9Å; I35-N37 PolarHBondContact O-N 3.15Å; N37-S41 WeakPolarHBondContact O-CA 3.48Å; N37-S41 WeakPolarHBondContact O-CB 3.45Å; N37-S41 PolarHBondContact O-N 3.11Å; N37-S41 WeakPolarHBondContact OD1-CB 3.43Å; N37-L42 PolarHBondContact O-N 2.82Å
38I98.3Very high97.8Very high57 Ų5748.6 Ų48.629%0.29226%0.261SS..Iπ-helixtrans-68.3-42.7178.9-177.262.1000111.9I35 L42 L43I35-I38 HydrophobicContact CG1-CG2 3.95Å; I35-I38 WeakPolarHBondContact O-CG2 3.39Å; I35-I38 PolarHBondContact O-N 3.42Å; I38-L42 HydrophobicContact CD1-CB 4.18Å; I38-L42 HydrophobicContact CD1-CD1 4.17Å; I38-L42 HydrophobicContact CD1-CD2 3.96Å; I38-L42 HydrophobicContact CD1-CG 4.33Å; I38-L43 HydrophobicContact CD1-CD1 4.29Å; I38-L43 HydrophobicContact CD1-CG 4.2Å; I38-L43 HydrophobicContact CG1-CD1 3.99Å; I38-L43 HydrophobicContact CG1-CG 4.36Å; I38-L43 WeakPolarHBondContact O-CB 3.32Å; I38-L43 WeakPolarHBondContact O-CG 3.4Å; I38-L43 PolarHBondContact O-N 3.14Å
39L97.4Very high97.8Very high36 Ų3651 Ų5119%0.18829%0.287CS..Iπ-helixtrans-73.5-44.6-178.2-68.3177.3000112.3L7 I35 L43 E44L7-L39 HydrophobicContact CD2-CD2 3.81Å; L7-L39 HydrophobicContact CD2-CG 4.46Å; I35-L39 HydrophobicContact CD1-CD1 4.2Å; I35-L39 HydrophobicContact CG1-CD1 3.93Å; I35-L39 HydrophobicContact CG1-CG 4.17Å; I35-L39 PolarHBondContact O-N 2.91Å; L39-L43 HydrophobicContact CD2-CD1 4.32Å; L39-E44 WeakPolarHBondContact O-CB 3.3Å; L39-E44 PolarHBondContact O-N 2.92Å
40G95.1Very high97.8Very high3 Ų350.6 Ų50.63%0.03129%0.286CS..Iπ-helixtrans-90.5-52.8-17300000115.4T28 L36T28-G40 PolarHBondContact OG1-O 2.69Å; L36-G40 WeakPolarHBondContact O-CA 3.36Å; L36-G40 PolarHBondContact O-N 3.23Å
41S96.3Very high97.8Very high7 Ų752.4 Ų52.45%0.04930%0.298CS..Iπ-helixtrans-73.2-37.6-175.7-159.60000111.3T28 N37 T52T28-S41 PolarHBondContact OG1-N 3.36Å; N37-S41 WeakPolarHBondContact O-CA 3.48Å; N37-S41 WeakPolarHBondContact O-CB 3.45Å; N37-S41 PolarHBondContact O-N 3.11Å; N37-S41 WeakPolarHBondContact OD1-CB 3.43Å; S41-T52 WeakPolarHBondContact O-CB 3.36Å; S41-T52 PolarHBondContact O-OG1 3.36Å; S41-T52 PolarHBondContact OG-OG1 3.31Å
42L98.2Very high97.9Very high57 Ų5749.6 Ų49.630%0.29828%0.284SS..Iπ-helixtrans-101.5-65.4-174.5-166.9149.2000112.6N37 I38 W46N37-L42 PolarHBondContact O-N 2.82Å; I38-L42 HydrophobicContact CD1-CB 4.18Å; I38-L42 HydrophobicContact CD1-CD1 4.17Å; I38-L42 HydrophobicContact CD1-CD2 3.96Å; I38-L42 HydrophobicContact CD1-CG 4.33Å; L42-W46 HydrophobicContact CD1-CE3 4.39Å; L42-W46 HydrophobicContact CD1-CH2 4.02Å; L42-W46 HydrophobicContact CD1-CZ3 3.77Å; L42-W46 HydrophobicContact CD2-CD2 4.45Å; L42-W46 HydrophobicContact CD2-CE3 3.61Å; L42-W46 HydrophobicContact CD2-CZ3 3.75Å; L42-W46 HydrophobicContact CG-CD2 4.23Å; L42-W46 HydrophobicContact CG-CE3 3.66Å; L42-W46 HydrophobicContact CG-CH2 4.02Å; L42-W46 HydrophobicContact CG-CZ3 3.55Å; L42-W46 WeakPolarHBondContact O-CB 3.48Å; L42-W46 PolarHBondContact O-N 2.91Å; L42-W46 VanDerWaalsContact O-N 3.16Å
43L98.3Very high97.9Very high30 Ų3045.7 Ų45.716%0.15726%0.257CS..Iπ-helixtrans-73.3-43.5-165.8-68172.5000113.8L7 A11 I38 L39 S45 T47L7-L43 HydrophobicContact CB-CD1 3.97Å; A11-L43 HydrophobicContact CB-CB 3.53Å; A11-L43 HydrophobicContact CB-CD1 4.06Å; A11-L43 HydrophobicContact CB-CG 4.34Å; I38-L43 HydrophobicContact CD1-CD1 4.29Å; I38-L43 HydrophobicContact CD1-CG 4.2Å; I38-L43 HydrophobicContact CG1-CD1 3.99Å; I38-L43 HydrophobicContact CG1-CG 4.36Å; I38-L43 WeakPolarHBondContact O-CB 3.32Å; I38-L43 WeakPolarHBondContact O-CG 3.4Å; I38-L43 PolarHBondContact O-N 3.14Å; L39-L43 HydrophobicContact CD2-CD1 4.32Å; L43-S45 PolarHBondContact O-N 2.81Å; L43-T47 VanDerWaalsContact O-CB 3.26Å; L43-T47 WeakPolarHBondContact O-CB 3.43Å; L43-T47 PolarHBondContact O-N 3.31Å; L43-T47 PolarHBondContact O-OG1 2.66Å
44E97.8Very high97.9Very high2 Ų247.9 Ų47.91%0.00926%0.257CS..Iπ-helixtrans-57.1-51.4178.6173.267.7179.400111.5G16 W17 T18 M26 L39G16-E44 WeakPolarHBondContact CA-OE1 3.36Å; G16-E44 PolarHBondContact N-OE1 3.45Å; W17-E44 VanDerWaalsContact CD1-OE2 3.22Å; W17-E44 PolarHBondContact NE1-OE2 3.45Å; T18-E44 HydrophobicContact CG2-CG 3.78Å; T18-E44 WeakPolarHBondContact CG2-OE1 3.36Å; T18-E44 PolarHBondContact N-OE1 2.92Å; T18-E44 PolarHBondContact OG1-OE1 2.97Å; M26-E44 HydrophobicContact SD-CG 4.08Å; L39-E44 WeakPolarHBondContact O-CB 3.3Å; L39-E44 PolarHBondContact O-N 2.92Å
45S97.2Very high98Very high0 Ų043.8 Ų43.80%024%0.244CC..Hα-helixtrans-64.5-52-177.9-63.50000111.5M26 L43 T47 L48 G49 A50M26-S45 WeakPolarHBondContact CB-OG 3.31Å; L43-S45 PolarHBondContact O-N 2.81Å; S45-T47 VanDerWaalsContact C-N 3.33Å; S45-T47 PolarHBondContact O-N 3.2Å; S45-L48 PolarHBondContact O-N 2.84Å; S45-G49 PolarHBondContact O-N 3.5Å; S45-A50 WeakPolarHBondContact O-CA 3.24Å; S45-A50 WeakPolarHBondContact O-CB 3.33Å; S45-A50 PolarHBondContact O-N 2.98Å
46W98.3Very high98Very high155 Ų15549.3 Ų49.359%0.58727%0.273SS*.Hα-helixtrans-71.9-27.2-173.7-67.9-6.4000113.6L42 L48 G49 T52L42-W46 HydrophobicContact CD1-CE3 4.39Å; L42-W46 HydrophobicContact CD1-CH2 4.02Å; L42-W46 HydrophobicContact CD1-CZ3 3.77Å; L42-W46 HydrophobicContact CD2-CD2 4.45Å; L42-W46 HydrophobicContact CD2-CE3 3.61Å; L42-W46 HydrophobicContact CD2-CZ3 3.75Å; L42-W46 HydrophobicContact CG-CD2 4.23Å; L42-W46 HydrophobicContact CG-CE3 3.66Å; L42-W46 HydrophobicContact CG-CH2 4.02Å; L42-W46 HydrophobicContact CG-CZ3 3.55Å; L42-W46 WeakPolarHBondContact O-CB 3.48Å; L42-W46 PolarHBondContact O-N 2.91Å; L42-W46 VanDerWaalsContact O-N 3.16Å; W46-L48 PolarHBondContact O-N 2.98Å; W46-G49 PolarHBondContact O-N 3.27Å; W46-G49 VanDerWaalsContact O-N 3.11Å; W46-T52 HydrophobicContact CZ2-CG2 4.37Å
47T98Very high97.9Very high53 Ų5349.3 Ų49.333%0.32527%0.273SS..Hα-helixtrans-68-26.7175.4-51.40000112.2K12 A15 L43 S45K12-T47 VanDerWaalsContact CA-CG2 3.48Å; K12-T47 HydrophobicContact CB-CG2 3.71Å; K12-T47 HydrophobicContact CG-CG2 3.7Å; A15-T47 HydrophobicContact CB-CG2 3.97Å; L43-T47 VanDerWaalsContact O-CB 3.26Å; L43-T47 WeakPolarHBondContact O-CB 3.43Å; L43-T47 PolarHBondContact O-N 3.31Å; L43-T47 PolarHBondContact O-OG1 2.66Å; S45-T47 VanDerWaalsContact C-N 3.33Å; S45-T47 PolarHBondContact O-N 3.2Å
48L98Very high97.7Very high44 Ų4452.7 Ų52.723%0.2330%0.297CS..THydrogen-bonded Turntrans-86.6-7.8173.5-66.7168.6000113.4A15 L20 A22 S45 W46 A50A15-L48 HydrophobicContact CB-CD2 3.86Å; A15-L48 HydrophobicContact CB-CG 4.11Å; L20-L48 HydrophobicContact CB-CD1 3.93Å; L20-L48 HydrophobicContact CD2-CD1 4.08Å; L20-L48 HydrophobicContact CG-CD1 4.19Å; A22-L48 VanDerWaalsContact CA-O 3.31Å; A22-L48 WeakPolarHBondContact CA-O 3.38Å; A22-L48 WeakPolarHBondContact CB-O 3.39Å; S45-L48 PolarHBondContact O-N 2.84Å; W46-L48 PolarHBondContact O-N 2.98Å; L48-A50 HydrophobicContact CB-CB 4.23Å; L48-A50 PolarHBondContact O-N 3.11Å
49G98.2Very high97.5Very high58 Ų5858.3 Ų58.360%0.59832%0.32SS*.THydrogen-bonded Turntrans7312.8-167.200000114A22 S45 W46A22-G49 CarbonylContact O-C 3.52Å; A22-G49 VanDerWaalsContact O-O 3.06Å; S45-G49 PolarHBondContact O-N 3.5Å; W46-G49 PolarHBondContact O-N 3.27Å; W46-G49 VanDerWaalsContact O-N 3.11Å
50A98.6Very high97.3Very high7 Ų761.1 Ų61.16%0.05833%0.33CS..PPolyproline II helixtrans-80.1165.7179.200000112.5L20 Q21 A22 S45 L48L20-A50 HydrophobicContact CD2-CB 3.62Å; L20-A50 HydrophobicContact CG-CB 3.97Å; Q21-A50 VanDerWaalsContact O-CB 3.3Å; Q21-A50 WeakPolarHBondContact O-CB 3.48Å; A22-A50 WeakPolarHBondContact O-CA 3.31Å; S45-A50 WeakPolarHBondContact O-CA 3.24Å; S45-A50 WeakPolarHBondContact O-CB 3.33Å; S45-A50 PolarHBondContact O-N 2.98Å; L48-A50 HydrophobicContact CB-CB 4.23Å; L48-A50 PolarHBondContact O-N 3.11Å
51C98.8Very high97.4Very high65 Ų6563.9 Ų63.944%0.43935%0.345SS..EExtended strand (participates in β ladder)trans-89.5134.1179.1-177.70000111.1D24 I25 M26D24-C51 PolarHBondContact O-N 2.58Å; I25-C51 WeakPolarHBondContact CA-O 3.19Å; I25-C51 HydrophobicContact CB-CB 4.49Å; I25-C51 HydrophobicContact CG1-CB 4.02Å; M26-C51 PolarHBondContact N-O 3.17Å
52T98.8Very high97.5Very high33 Ų3364.3 Ų64.320%0.20235%0.347CS..EExtended strand (participates in β ladder)trans-96131.8167.7-172.40000110.4S41 W46S41-T52 WeakPolarHBondContact O-CB 3.36Å; S41-T52 PolarHBondContact O-OG1 3.36Å; S41-T52 PolarHBondContact OG-OG1 3.31Å; W46-T52 HydrophobicContact CZ2-CG2 4.37Å
53F98.8Very high97.4Very high34 Ų3464.7 Ų64.715%0.14935%0.349CS..EExtended strand (participates in β ladder)trans-104129.4176.2-173-87.4000109.9I25 M26 W27 H55 T68 Y72 I74I25-F53 HydrophobicContact CG2-CB 3.65Å; I25-F53 HydrophobicContact CG2-CD2 4.42Å; I25-F53 HydrophobicContact CG2-CG 4.43Å; M26-F53 PolarHBondContact O-N 3.12Å; W27-F53 HydrophobicContact CB-CB 4.13Å; W27-F53 HydrophobicContact CB-CD1 4.11Å; W27-F53 AromaticContact CD1-CD1 3.81Å; W27-F53 AromaticContact CD2-CD1 3.96Å; W27-F53 HydrophobicContact CD2-CD1 3.96Å; W27-F53 HydrophobicContact CD2-CE1 4.29Å; W27-F53 HydrophobicContact CG-CB 4.49Å; W27-F53 AromaticContact CG-CD1 3.7Å; W27-F53 HydrophobicContact CG-CD1 3.7Å; W27-F53 HydrophobicContact CG-CE1 4.49Å; F53-H55 HydrophobicContact CE1-CB 4.05Å; F53-T68 HydrophobicContact CE1-CG2 3.57Å; F53-T68 HydrophobicContact CZ-CG2 3.8Å; F53-Y72 AromaticContact CE2-CD1 3.62Å; F53-Y72 HydrophobicContact CE2-CD1 3.62Å; F53-Y72 HydrophobicContact CE2-CD2 4.42Å; F53-Y72 HydrophobicContact CE2-CE1 4.04Å; F53-Y72 AromaticContact CE2-CG 3.83Å; F53-Y72 HydrophobicContact CE2-CG 3.83Å; F53-Y72 HydrophobicContact CZ-CD1 4.04Å; F53-Y72 HydrophobicContact CZ-CD2 4.04Å; F53-Y72 HydrophobicContact CZ-CE1 4.29Å; F53-Y72 HydrophobicContact CZ-CE2 4.3Å; F53-Y72 AromaticContact CZ-CG 3.9Å; F53-Y72 HydrophobicContact CZ-CG 3.9Å; F53-I74 HydrophobicContact CD1-CD1 3.95Å; F53-I74 HydrophobicContact CE1-CD1 4.06Å; F53-I74 HydrophobicContact CG-CD1 4.24Å; F53-I74 HydrophobicContact CG-CG1 4.43Å; F53-I74 HydrophobicContact CZ-CD1 4.45Å
54V98.6Very high97.4Very high111 Ų11165.4 Ų65.467%0.67336%0.355SS*.  trans-125.4127.6177.7177.50000108.5
55H98.6Very high97.5Very high64 Ų6465.3 Ų65.330%0.29635%0.354SS..  trans-112.4134.6170.8-170.2-86.8000108.4W27 F53 L57W27-H55 HydrophobicContact CZ2-CB 3.68Å; F53-H55 HydrophobicContact CE1-CB 4.05Å; H55-L57 WeakPolarHBondContact ND1-CA 3.31Å; H55-L57 PolarHBondContact ND1-N 3.08Å; H55-L57 PolarHBondContact O-N 3.16Å
56L97.9Very high97.5Very high152 Ų15265.3 Ų65.380%0.79635%0.354SS*.  trans-55.8-40.3-178.5178.864.1000112.2P58L56-P58 HydrophobicContact CD2-CG 4.46Å; L56-P58 HydrophobicContact CG-CB 4.41Å
57L96.4Very high97.5Very high27 Ų2763.2 Ų63.214%0.14135%0.349CS..  trans41.955.3175.7-153.877.4000113I29 H55 K59 F60 V64 I65I29-L57 HydrophobicContact CG2-CD2 4.35Å; H55-L57 WeakPolarHBondContact ND1-CA 3.31Å; H55-L57 PolarHBondContact ND1-N 3.08Å; H55-L57 PolarHBondContact O-N 3.16Å; L57-K59 CarbonylContact O-C 3.25Å; L57-K59 PolarHBondContact O-N 3.42Å; L57-K59 VanDerWaalsContact O-N 3.09Å; L57-F60 HydrophobicContact CD2-CD2 3.82Å; L57-F60 HydrophobicContact CD2-CE2 4.04Å; L57-V64 HydrophobicContact CD1-CB 4.26Å; L57-V64 HydrophobicContact CD1-CG1 3.77Å; L57-I65 HydrophobicContact CD1-CG1 3.95Å; L57-I65 HydrophobicContact CD2-CD1 4.12Å; L57-I65 HydrophobicContact CD2-CG1 4.13Å
58P94.3Very high97.5Very high111 Ų11161 Ų6172%0.72134%0.335SS*.SBendtrans-65.9-20.2-168.829-36.5000113.3L56L56-P58 HydrophobicContact CD2-CG 4.46Å; L56-P58 HydrophobicContact CG-CB 4.41Å
59K93.4Very high97.5Very high176 Ų17659 Ų5977%0.76533%0.326SS*.SBendtrans-122.6138.1163-64.4-177.7-178.7-179.80106.9L57 D61L57-K59 CarbonylContact O-C 3.25Å; L57-K59 PolarHBondContact O-N 3.42Å; L57-K59 VanDerWaalsContact O-N 3.09Å; K59-D61 VanDerWaalsContact C-N 3.33Å; K59-D61 PolarHBondContact O-N 3.25Å
60F93.7Very high97.5Very high94 Ų9458.4 Ų58.441%0.41231%0.312SS..  trans-73.189.7175.1-162.9-85.1000109.8I29 L57 I65 V83 M86I29-F60 HydrophobicContact CG2-CE2 3.74Å; I29-F60 HydrophobicContact CG2-CZ 4.43Å; L57-F60 HydrophobicContact CD2-CD2 3.82Å; L57-F60 HydrophobicContact CD2-CE2 4.04Å; F60-I65 HydrophobicContact CE1-CD1 3.92Å; F60-I65 HydrophobicContact CE2-CD1 3.99Å; F60-I65 HydrophobicContact CZ-CD1 3.53Å; F60-V83 HydrophobicContact CE2-CG2 4.23Å; F60-V83 HydrophobicContact CZ-CB 4.23Å; F60-V83 HydrophobicContact CZ-CG1 4.12Å; F60-V83 HydrophobicContact CZ-CG2 3.65Å; F60-M86 HydrophobicContact CD1-CE 3.63Å; F60-M86 HydrophobicContact CD1-SD 3.77Å; F60-M86 HydrophobicContact CE1-CE 3.81Å; F60-M86 HydrophobicContact CE1-SD 3.5Å; F60-M86 WeakPolarHBondContact CE1-SD 3.44Å
61D97.7Very high97.5Very high62 Ų6262.3 Ų62.333%0.33234%0.339SS..  trans-113.2114.6-177-176.9-19.4000110.5K59 L63 V64 I65K59-D61 VanDerWaalsContact C-N 3.33Å; K59-D61 PolarHBondContact O-N 3.25Å; D61-L63 VanDerWaalsContact C-N 3.29Å; D61-L63 PolarHBondContact O-N 2.93Å; D61-L63 WeakPolarHBondContact OD1-CB 3.44Å; D61-L63 PolarHBondContact OD1-N 3.01Å; D61-V64 HydrophobicContact CB-CB 4.08Å; D61-V64 HydrophobicContact CB-CG2 3.81Å; D61-V64 WeakPolarHBondContact O-CB 3.3Å; D61-V64 PolarHBondContact O-N 3.44Å; D61-V64 PolarHBondContact OD1-N 3.38Å; D61-I65 WeakPolarHBondContact O-CG1 3.31Å; D61-I65 PolarHBondContact O-N 3.24Å; D61-I65 VanDerWaalsContact O-N 3.12Å
62P97.5Very high97.5Very high16 Ų1664.8 Ų64.810%0.10434%0.34CS..Hα-helixtrans-65.4-28.8-178.727.2-33.3000113.3V64 I65 L66 M86 L87 Q90P62-V64 VanDerWaalsContact C-N 3.35Å; P62-I65 PolarHBondContact O-N 3.23Å; P62-L66 WeakPolarHBondContact O-CG 3.48Å; P62-L66 PolarHBondContact O-N 2.91Å; P62-M86 HydrophobicContact CB-CB 4.11Å; P62-M86 HydrophobicContact CG-CB 4.47Å; P62-M86 HydrophobicContact CG-CE 4.17Å; P62-L87 HydrophobicContact CB-CD2 4.21Å; P62-Q90 HydrophobicContact CB-CG 4.02Å; P62-Q90 HydrophobicContact CG-CG 4.3Å
63L97.6Very high97.4Very high65 Ų6566.4 Ų66.434%0.3435%0.351SS..Hα-helixtrans-68.9-36.4175.3-72.1174.7000111.5D61 I65 L66 K67 Q90 Y95D61-L63 VanDerWaalsContact C-N 3.29Å; D61-L63 PolarHBondContact O-N 2.93Å; D61-L63 WeakPolarHBondContact OD1-CB 3.44Å; D61-L63 PolarHBondContact OD1-N 3.01Å; L63-I65 VanDerWaalsContact C-N 3.35Å; L63-L66 PolarHBondContact O-N 2.85Å; L63-K67 WeakPolarHBondContact O-CB 3.18Å; L63-K67 VanDerWaalsContact O-CG 3.3Å; L63-K67 WeakPolarHBondContact O-CG 3.48Å; L63-K67 PolarHBondContact O-N 3.24Å; L63-Q90 HydrophobicContact CD2-CB 4.44Å; L63-Q90 HydrophobicContact CD2-CG 4.27Å; L63-Q90 VanDerWaalsContact CD2-OE1 3.24Å; L63-Y95 HydrophobicContact CD2-CE2 4.45Å
64V98.3Very high97.4Very high45 Ų4564.9 Ų64.927%0.27334%0.344SS..Hα-helixtrans-64-45172.9174.80000109.6L57 D61 P62 L66 K67 T68L57-V64 HydrophobicContact CD1-CB 4.26Å; L57-V64 HydrophobicContact CD1-CG1 3.77Å; D61-V64 HydrophobicContact CB-CB 4.08Å; D61-V64 HydrophobicContact CB-CG2 3.81Å; D61-V64 WeakPolarHBondContact O-CB 3.3Å; D61-V64 PolarHBondContact O-N 3.44Å; D61-V64 PolarHBondContact OD1-N 3.38Å; P62-V64 VanDerWaalsContact C-N 3.35Å; V64-L66 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 2.93Å; V64-K67 PolarHBondContact O-N 2.72Å; V64-T68 WeakPolarHBondContact O-CB 3.48Å; V64-T68 PolarHBondContact O-N 3.07Å; V64-T68 PolarHBondContact O-OG1 3.27Å
65I98.3Very high97.4Very high0 Ų061.9 Ų61.90%032%0.322CS..Hα-helixtrans-59.1-45.1178.1-62.3168.4000111.5W27 I29 L57 F60 D61 P62 L63 T68 L69 V83 L87W27-I65 HydrophobicContact CH2-CB 4.19Å; W27-I65 HydrophobicContact CH2-CG1 4.13Å; W27-I65 HydrophobicContact CH2-CG2 3.93Å; W27-I65 HydrophobicContact CZ3-CG2 3.89Å; I29-I65 HydrophobicContact CD1-CD1 4.42Å; I29-I65 HydrophobicContact CD1-CG2 3.96Å; L57-I65 HydrophobicContact CD1-CG1 3.95Å; L57-I65 HydrophobicContact CD2-CD1 4.12Å; L57-I65 HydrophobicContact CD2-CG1 4.13Å; F60-I65 HydrophobicContact CE1-CD1 3.92Å; F60-I65 HydrophobicContact CE2-CD1 3.99Å; F60-I65 HydrophobicContact CZ-CD1 3.53Å; D61-I65 WeakPolarHBondContact O-CG1 3.31Å; D61-I65 PolarHBondContact O-N 3.24Å; D61-I65 VanDerWaalsContact O-N 3.12Å; P62-I65 PolarHBondContact O-N 3.23Å; L63-I65 VanDerWaalsContact C-N 3.35Å; I65-T68 PolarHBondContact O-N 3.44Å; I65-L69 HydrophobicContact CG2-CD1 4.25Å; I65-L69 WeakPolarHBondContact O-CG 3.31Å; I65-L69 PolarHBondContact O-N 3.07Å; I65-V83 HydrophobicContact CD1-CG1 4.27Å; I65-L87 HydrophobicContact CB-CD2 3.88Å; I65-L87 HydrophobicContact CG2-CD1 4.23Å; I65-L87 HydrophobicContact CG2-CD2 3.68Å
66L97.8Very high97.4Very high0 Ų058.9 Ų58.90%031%0.308CS..Hα-helixtrans-63.4-44.9177-72.2176.5000113P62 L63 V64 T68 L69 S70 L87 Q90 L92 Y95 F97P62-L66 WeakPolarHBondContact O-CG 3.48Å; P62-L66 PolarHBondContact O-N 2.91Å; L63-L66 PolarHBondContact O-N 2.85Å; V64-L66 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 2.93Å; L66-T68 VanDerWaalsContact C-N 3.29Å; L66-T68 PolarHBondContact O-N 3.24Å; L66-L69 PolarHBondContact O-N 3.4Å; L66-S70 VanDerWaalsContact O-CB 3.31Å; L66-S70 WeakPolarHBondContact O-CB 3.33Å; L66-S70 PolarHBondContact O-N 3Å; L66-L87 HydrophobicContact CD1-CD2 4.45Å; L66-L87 HydrophobicContact CD2-CB 4.37Å; L66-L87 HydrophobicContact CD2-CD2 3.69Å; L66-L87 HydrophobicContact CD2-CG 4.44Å; L66-L87 HydrophobicContact CG-CD2 3.63Å; L66-Q90 HydrophobicContact CD1-CB 3.38Å; L66-Q90 HydrophobicContact CD1-CG 3.66Å; L66-L92 HydrophobicContact CD1-CD2 3.76Å; L66-L92 HydrophobicContact CD2-CD2 3.37Å; L66-L92 HydrophobicContact CG-CD2 4.23Å; L66-Y95 HydrophobicContact CB-CD1 4.32Å; L66-Y95 HydrophobicContact CB-CD2 4.16Å; L66-Y95 HydrophobicContact CB-CG 4.06Å; L66-Y95 HydrophobicContact CD1-CD2 4.05Å; L66-Y95 HydrophobicContact CD1-CE2 4.37Å; L66-F97 HydrophobicContact CD2-CE1 4.38Å
67K97.8Very high97.5Very high110 Ų11051.6 Ų51.648%0.47827%0.27SS..Hα-helixtrans-58.5-43.9175.2-76.9170.8179176.70110.8L63 V64 S70 S71 Y95L63-K67 WeakPolarHBondContact O-CB 3.18Å; L63-K67 VanDerWaalsContact O-CG 3.3Å; L63-K67 WeakPolarHBondContact O-CG 3.48Å; L63-K67 PolarHBondContact O-N 3.24Å; V64-K67 PolarHBondContact O-N 2.72Å; K67-S70 PolarHBondContact O-N 3Å; K67-S71 VanDerWaalsContact O-CB 3.24Å; K67-S71 WeakPolarHBondContact O-CB 3.31Å; K67-S71 PolarHBondContact O-N 3.4Å; K67-S71 PolarHBondContact O-OG 2.91Å; K67-Y95 WeakPolarHBondContact CE-OH 3.46Å; K67-Y95 HydrophobicContact CG-CD1 4.42Å; K67-Y95 HydrophobicContact CG-CE1 3.57Å
68T98.4Very high97.6Very high6 Ų650.4 Ų50.44%0.03726%0.264CS..Hα-helixtrans-62.2-49.8176.7-58.60000111.6W27 F53 V64 I65 L66 S70 S71 Y72 I74W27-T68 HydrophobicContact CE3-CG2 4.05Å; W27-T68 HydrophobicContact CH2-CG2 3.58Å; W27-T68 HydrophobicContact CZ2-CG2 4.29Å; W27-T68 HydrophobicContact CZ3-CG2 3.45Å; W27-T68 VanDerWaalsContact CZ3-CG2 3.45Å; F53-T68 HydrophobicContact CE1-CG2 3.57Å; F53-T68 HydrophobicContact CZ-CG2 3.8Å; V64-T68 WeakPolarHBondContact O-CB 3.48Å; V64-T68 PolarHBondContact O-N 3.07Å; V64-T68 PolarHBondContact O-OG1 3.27Å; I65-T68 PolarHBondContact O-N 3.44Å; L66-T68 VanDerWaalsContact C-N 3.29Å; L66-T68 PolarHBondContact O-N 3.24Å; T68-S70 PolarHBondContact O-N 2.96Å; T68-S71 PolarHBondContact O-N 3.5Å; T68-Y72 HydrophobicContact CG2-CD2 3.85Å; T68-Y72 HydrophobicContact CG2-CE2 4.33Å; T68-Y72 WeakPolarHBondContact O-CD2 3.4Å; T68-Y72 PolarHBondContact O-N 2.9Å; T68-I74 HydrophobicContact CG2-CD1 4.07Å
69L98.3Very high97.8Very high4 Ų445.1 Ų45.12%0.02123%0.229CC..Hα-helixtrans-59.4-34.9176.6-73.3173.5000112.6W27 I65 L66 I74 M77 F97 L100W27-L69 HydrophobicContact CE3-CD2 3.89Å; W27-L69 HydrophobicContact CE3-CG 4.25Å; W27-L69 HydrophobicContact CZ3-CD2 4.19Å; W27-L69 HydrophobicContact CZ3-CG 4.03Å; I65-L69 HydrophobicContact CG2-CD1 4.25Å; I65-L69 WeakPolarHBondContact O-CG 3.31Å; I65-L69 PolarHBondContact O-N 3.07Å; L66-L69 PolarHBondContact O-N 3.4Å; L69-I74 HydrophobicContact CD2-CB 4.31Å; L69-I74 HydrophobicContact CD2-CD1 4.21Å; L69-I74 HydrophobicContact CD2-CG2 4.12Å; L69-M77 HydrophobicContact CD1-CE 4.34Å; L69-M77 HydrophobicContact CD1-SD 3.9Å; L69-M77 HydrophobicContact CD2-CB 4.44Å; L69-M77 HydrophobicContact CD2-SD 4.34Å; L69-F97 HydrophobicContact CB-CB 4.15Å; L69-F97 HydrophobicContact CB-CD1 4.33Å; L69-F97 HydrophobicContact CB-CG 4.43Å; L69-F97 WeakPolarHBondContact O-CB 3.5Å; L69-L100 HydrophobicContact CD2-CD1 4.32Å; L69-L100 HydrophobicContact CD2-CD2 4.49Å
70S97.8Very high98Very high44 Ų4437.4 Ų37.431%0.30820%0.199SC..Hα-helixtrans-77.7-28.2179.6-168.50000113.4L66 K67 T68 K96L66-S70 VanDerWaalsContact O-CB 3.31Å; L66-S70 WeakPolarHBondContact O-CB 3.33Å; L66-S70 PolarHBondContact O-N 3Å; K67-S70 PolarHBondContact O-N 3Å; T68-S70 PolarHBondContact O-N 2.96Å; S70-K96 WeakPolarHBondContact CA-O 3.46Å; S70-K96 WeakPolarHBondContact CB-O 3.4Å; S70-K96 PolarHBondContact OG-O 2.97Å
71S98.1Very high98.2Very high89 Ų8933 Ų3362%0.62218%0.179SC*.Hα-helixtrans-98.2-22-172.3-50.50000113.9K67 T68K67-S71 VanDerWaalsContact O-CB 3.24Å; K67-S71 WeakPolarHBondContact O-CB 3.31Å; K67-S71 PolarHBondContact O-N 3.4Å; K67-S71 PolarHBondContact O-OG 2.91Å; T68-S71 PolarHBondContact O-N 3.5Å
72Y98.6Very high98.2Very high118 Ų11833 Ų3346%0.46318%0.179SC..SBendtrans-113.9147.3-178.1-67-90.7000111F53 T68 I74F53-Y72 AromaticContact CE2-CD1 3.62Å; F53-Y72 HydrophobicContact CE2-CD1 3.62Å; F53-Y72 HydrophobicContact CE2-CD2 4.42Å; F53-Y72 HydrophobicContact CE2-CE1 4.04Å; F53-Y72 AromaticContact CE2-CG 3.83Å; F53-Y72 HydrophobicContact CE2-CG 3.83Å; F53-Y72 HydrophobicContact CZ-CD1 4.04Å; F53-Y72 HydrophobicContact CZ-CD2 4.04Å; F53-Y72 HydrophobicContact CZ-CE1 4.29Å; F53-Y72 HydrophobicContact CZ-CE2 4.3Å; F53-Y72 AromaticContact CZ-CG 3.9Å; F53-Y72 HydrophobicContact CZ-CG 3.9Å; T68-Y72 HydrophobicContact CG2-CD2 3.85Å; T68-Y72 HydrophobicContact CG2-CE2 4.33Å; T68-Y72 WeakPolarHBondContact O-CD2 3.4Å; T68-Y72 PolarHBondContact O-N 2.9Å; Y72-I74 PolarHBondContact O-N 3.31Å
73P98.4Very high98.3Very high67 Ų6732.5 Ų32.544%0.43518%0.175SC..  trans-7953.8-177.932.4-34000112.2I25 K75 H99I25-P73 HydrophobicContact CD1-CG 3.98Å; P73-K75 PolarHBondContact O-N 3.47Å; P73-H99 HydrophobicContact CB-CB 4.48Å
74I98.8Very high98.3Very high2 Ų229.4 Ų29.41%0.0116%0.159CC..  trans-74.1122.8179.1-63.3168.4000108.6I25 W27 F53 T68 L69 Y72 S76 H99 L100I25-I74 HydrophobicContact CG2-CG1 4.42Å; W27-I74 HydrophobicContact CB-CD1 3.98Å; W27-I74 HydrophobicContact CB-CG1 4.45Å; W27-I74 HydrophobicContact CB-CG2 3.81Å; W27-I74 HydrophobicContact CD2-CD1 4.05Å; W27-I74 HydrophobicContact CE3-CD1 3.52Å; W27-I74 HydrophobicContact CG-CD1 4.3Å; W27-I74 HydrophobicContact CZ3-CD1 4.27Å; F53-I74 HydrophobicContact CD1-CD1 3.95Å; F53-I74 HydrophobicContact CE1-CD1 4.06Å; F53-I74 HydrophobicContact CG-CD1 4.24Å; F53-I74 HydrophobicContact CG-CG1 4.43Å; F53-I74 HydrophobicContact CZ-CD1 4.45Å; T68-I74 HydrophobicContact CG2-CD1 4.07Å; L69-I74 HydrophobicContact CD2-CB 4.31Å; L69-I74 HydrophobicContact CD2-CD1 4.21Å; L69-I74 HydrophobicContact CD2-CG2 4.12Å; Y72-I74 PolarHBondContact O-N 3.31Å; I74-S76 WeakPolarHBondContact CG2-O 3.43Å; I74-H99 CarbonylContact O-C 3.58Å; I74-L100 HydrophobicContact CG2-CD1 4.39Å; I74-L100 WeakPolarHBondContact O-CA 3.41Å; I74-L100 PolarHBondContact O-N 3.29Å
75K98.7Very high98.3Very high48 Ų4830.3 Ų30.321%0.20916%0.157CC..  trans-94.1-37.5-176.9-168.969.8144.7-169.80112.4D24 I25 P73 H99 Q101 N102D24-K75 HydrophobicContact CB-CB 3.92Å; D24-K75 HydrophobicContact CB-CG 4.05Å; I25-K75 PolarHBondContact O-N 3.31Å; P73-K75 PolarHBondContact O-N 3.47Å; K75-H99 WeakPolarHBondContact CD-O 3.34Å; K75-Q101 HydrophobicContact CD-CB 4.14Å; K75-Q101 HydrophobicContact CD-CG 3.87Å; K75-Q101 PolarHBondContact O-N 3.38Å; K75-N102 PolarHBondContact O-N 3.49Å; K75-N102 VanDerWaalsContact O-N 3.11Å
76S98.8Very high98.3Very high0 Ų032.5 Ų32.50%017%0.168CC..EExtended strand (participates in β ladder)trans-127.1134.1-179.5-58.60000109.7L20 I25 M26 W27 I74 N102L20-S76 WeakPolarHBondContact CD1-OG 3.25Å; I25-S76 PolarHBondContact O-N 2.99Å; I25-S76 VanDerWaalsContact O-N 3.14Å; M26-S76 CarbonylContact C-O 3.48Å; M26-S76 VanDerWaalsContact CA-O 3.31Å; M26-S76 WeakPolarHBondContact CA-O 3.46Å; W27-S76 PolarHBondContact N-O 2.71Å; I74-S76 WeakPolarHBondContact CG2-O 3.43Å; S76-N102 CarbonylContact C-O 3.37Å; S76-N102 VanDerWaalsContact CA-O 3.3Å; S76-N102 WeakPolarHBondContact CA-O 3.23Å; S76-N102 PolarHBondContact OG-ND2 3.48Å
77M98.7Very high98.3Very high0 Ų032.6 Ų32.60%017%0.169CC..EExtended strand (participates in β ladder)trans-120.7142.7170.772.2176-73.900110.5W27 I29 L69 Y84 L87 L100 N102 C103 L104 W118W27-M77 CarbonylContact O-C 3.6Å; W27-M77 VanDerWaalsContact O-CA 3.31Å; W27-M77 WeakPolarHBondContact O-CA 3.47Å; I29-M77 HydrophobicContact CD1-CE 4.45Å; L69-M77 HydrophobicContact CD1-CE 4.34Å; L69-M77 HydrophobicContact CD1-SD 3.9Å; L69-M77 HydrophobicContact CD2-CB 4.44Å; L69-M77 HydrophobicContact CD2-SD 4.34Å; M77-Y84 HydrophobicContact CE-CD1 4.32Å; M77-Y84 HydrophobicContact CE-CE1 3.6Å; M77-Y84 HydrophobicContact CG-CE1 4.41Å; M77-Y84 HydrophobicContact SD-CE1 3.86Å; M77-L87 HydrophobicContact CE-CD1 4.12Å; M77-L100 HydrophobicContact CB-CD1 4.02Å; M77-L100 HydrophobicContact CG-CD1 3.92Å; M77-L100 HydrophobicContact CG-CD2 4.34Å; M77-L100 HydrophobicContact SD-CD1 4.34Å; M77-L100 HydrophobicContact SD-CD2 3.77Å; M77-N102 PolarHBondContact N-O 3.08Å; M77-C103 HydrophobicContact CG-CB 4.2Å; M77-L104 WeakPolarHBondContact O-CD2 3.28Å; M77-L104 PolarHBondContact O-N 2.79Å; M77-W118 HydrophobicContact SD-CH2 4.47Å; M77-W118 HydrophobicContact SD-CZ2 4.28Å
78M98.7Very high98.4Very high1 Ų128.6 Ų28.61%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-135.3137.2175.1-174.2166.270.500110.2W17 M26 W27 T28 I29 L36 L104 F129W17-M78 HydrophobicContact CH2-SD 4.12Å; W17-M78 HydrophobicContact CZ2-SD 4.18Å; M26-M78 HydrophobicContact CE-CB 3.57Å; M26-M78 HydrophobicContact CE-CE 3.69Å; M26-M78 HydrophobicContact CE-CG 4.34Å; M26-M78 HydrophobicContact CE-SD 3.87Å; W27-M78 PolarHBondContact O-N 2.92Å; T28-M78 CarbonylContact C-O 3.53Å; T28-M78 WeakPolarHBondContact CA-O 3.38Å; T28-M78 HydrophobicContact CG2-CE 3.63Å; T28-M78 WeakPolarHBondContact OG1-CE 3.5Å; I29-M78 PolarHBondContact N-O 2.83Å; L36-M78 HydrophobicContact CD1-CE 3.38Å; L36-M78 HydrophobicContact CD1-CG 4.4Å; L36-M78 HydrophobicContact CD1-SD 3.92Å; L36-M78 HydrophobicContact CG-CE 4.1Å; M78-L104 WeakPolarHBondContact CA-O 3.42Å; M78-L104 HydrophobicContact CB-CB 4.13Å; M78-L104 HydrophobicContact CG-CB 3.91Å; M78-L104 HydrophobicContact SD-CB 4.3Å; M78-F129 HydrophobicContact CG-CE1 3.71Å; M78-F129 HydrophobicContact CG-CZ 3.92Å; M78-F129 HydrophobicContact SD-CD1 4.49Å; M78-F129 HydrophobicContact SD-CE1 3.64Å; M78-F129 HydrophobicContact SD-CZ 3.69Å
79G98Very high98.3Very high0 Ų035.6 Ų35.60%019%0.185CC..EExtended strand (participates in β ladder)trans-172178.9176.900000111.7L104 A105 G106G79-L104 PolarHBondContact N-O 2.81Å; G79-A105 VanDerWaalsContact O-CA 3.26Å; G79-A105 WeakPolarHBondContact O-CA 3.1Å; G79-G106 PolarHBondContact O-N 3.45Å
80A98.1Very high98.3Very high15 Ų1537.6 Ų37.612%0.12419%0.194CC..  trans-68.7152.4174.300000111.6I82 V83 G106A80-I82 HydrophobicContact CB-CG2 3.85Å; A80-I82 PolarHBondContact O-N 3.01Å; A80-I82 VanDerWaalsContact O-N 3.09Å; A80-V83 VanDerWaalsContact O-CB 3.31Å; A80-V83 WeakPolarHBondContact O-CB 3.45Å; A80-V83 WeakPolarHBondContact O-CG2 3.32Å; A80-V83 PolarHBondContact O-N 2.88Å; A80-G106 WeakPolarHBondContact CA-O 3.33Å
81P98.4Very high98.1Very high0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-50.4-32.8174.6-32.137.8000114.7V83 Y84 R85 A105 G106 E108 L110P81-V83 PolarHBondContact O-N 2.92Å; P81-Y84 PolarHBondContact O-N 3.2Å; P81-R85 PolarHBondContact O-N 2.98Å; P81-R85 VanDerWaalsContact O-N 3.11Å; P81-A105 HydrophobicContact CG-CB 4.08Å; P81-G106 WeakPolarHBondContact CD-O 3.43Å; P81-E108 HydrophobicContact CB-CB 4.42Å; P81-E108 HydrophobicContact CG-CB 3.92Å; P81-E108 WeakPolarHBondContact CG-O 3.49Å; P81-L110 HydrophobicContact CB-CD1 4.35Å
82I98Very high98Very high63 Ų6335.6 Ų35.632%0.32317%0.173SC..Hα-helixtrans-56.8-33.9174.9-172.859.6000113.2A80 Y84 R85 M86A80-I82 HydrophobicContact CB-CG2 3.85Å; A80-I82 PolarHBondContact O-N 3.01Å; A80-I82 VanDerWaalsContact O-N 3.09Å; I82-Y84 PolarHBondContact O-N 2.98Å; I82-R85 HydrophobicContact CD1-CB 4.49Å; I82-R85 PolarHBondContact O-N 3.36Å; I82-M86 HydrophobicContact CD1-CG 4.2Å; I82-M86 HydrophobicContact CD1-SD 4.48Å; I82-M86 HydrophobicContact CG1-CG 4.29Å; I82-M86 HydrophobicContact CG1-SD 4.07Å; I82-M86 VanDerWaalsContact O-CG 3.31Å; I82-M86 WeakPolarHBondContact O-CG 3.43Å; I82-M86 PolarHBondContact O-N 3.28Å
83V98.3Very high97.7Very high5 Ų533.8 Ų33.83%0.0318%0.178CC..Hα-helixtrans-58.5-51.8176.9-178.20000109.7I29 F60 I65 A80 P81 R85 M86 L87I29-V83 HydrophobicContact CD1-CG1 3.94Å; I29-V83 HydrophobicContact CG2-CG2 4.45Å; F60-V83 HydrophobicContact CE2-CG2 4.23Å; F60-V83 HydrophobicContact CZ-CB 4.23Å; F60-V83 HydrophobicContact CZ-CG1 4.12Å; F60-V83 HydrophobicContact CZ-CG2 3.65Å; I65-V83 HydrophobicContact CD1-CG1 4.27Å; A80-V83 VanDerWaalsContact O-CB 3.31Å; A80-V83 WeakPolarHBondContact O-CB 3.45Å; A80-V83 WeakPolarHBondContact O-CG2 3.32Å; A80-V83 PolarHBondContact O-N 2.88Å; P81-V83 PolarHBondContact O-N 2.92Å; V83-R85 PolarHBondContact O-N 3.19Å; V83-M86 PolarHBondContact O-N 3.39Å; V83-L87 HydrophobicContact CG1-CD1 4.13Å; V83-L87 HydrophobicContact CG1-CG 4.45Å; V83-L87 VanDerWaalsContact O-CG 3.28Å; V83-L87 WeakPolarHBondContact O-CG 3.34Å; V83-L87 PolarHBondContact O-N 3.32Å
84Y98.6Very high97.5Very high0 Ų034.6 Ų34.60%019%0.185CC..Hα-helixtrans-62.4-41.4179.2-62.3-84.9000112.1M77 P81 I82 M86 L87 L88 C103 L104 A105 W118 I126M77-Y84 HydrophobicContact CE-CD1 4.32Å; M77-Y84 HydrophobicContact CE-CE1 3.6Å; M77-Y84 HydrophobicContact CG-CE1 4.41Å; M77-Y84 HydrophobicContact SD-CE1 3.86Å; P81-Y84 PolarHBondContact O-N 3.2Å; I82-Y84 PolarHBondContact O-N 2.98Å; Y84-M86 VanDerWaalsContact C-N 3.3Å; Y84-M86 PolarHBondContact O-N 2.9Å; Y84-L87 PolarHBondContact O-N 2.79Å; Y84-L88 WeakPolarHBondContact O-CB 3.23Å; Y84-L88 VanDerWaalsContact O-CG 3.31Å; Y84-L88 WeakPolarHBondContact O-CG 3.31Å; Y84-L88 PolarHBondContact O-N 3.49Å; Y84-C103 HydrophobicContact CE1-CB 3.81Å; Y84-L104 WeakPolarHBondContact CE2-O 3.47Å; Y84-L104 PolarHBondContact OH-N 2.92Å; Y84-L104 PolarHBondContact OH-O 3.06Å; Y84-A105 HydrophobicContact CD2-CB 4.09Å; Y84-A105 HydrophobicContact CE2-CB 3.67Å; Y84-W118 AromaticContact CD1-CD2 3.98Å; Y84-W118 HydrophobicContact CD1-CD2 3.98Å; Y84-W118 HydrophobicContact CD1-CE3 4.04Å; Y84-W118 HydrophobicContact CD1-CH2 4.25Å; Y84-W118 HydrophobicContact CD1-CZ2 4.19Å; Y84-W118 HydrophobicContact CD1-CZ3 4.17Å; Y84-W118 HydrophobicContact CE1-CZ2 4.17Å; Y84-I126 HydrophobicContact CD1-CD1 3.6Å; Y84-I126 HydrophobicContact CD1-CG1 4.11Å; Y84-I126 HydrophobicContact CD2-CD1 4.25Å; Y84-I126 HydrophobicContact CE1-CD1 4.13Å; Y84-I126 HydrophobicContact CE1-CG1 4.17Å; Y84-I126 HydrophobicContact CE2-CG2 4.3Å; Y84-I126 HydrophobicContact CG-CD1 3.65Å
85R98.4Very high97.3Very high64 Ų6436.8 Ų36.824%0.24219%0.193CC..Hα-helixtrans-59-41.8175.1-66.5-167.7-61.8-934.5111.9P81 I82 V83 L88 Q89 E108 T114P81-R85 PolarHBondContact O-N 2.98Å; P81-R85 VanDerWaalsContact O-N 3.11Å; I82-R85 HydrophobicContact CD1-CB 4.49Å; I82-R85 PolarHBondContact O-N 3.36Å; V83-R85 PolarHBondContact O-N 3.19Å; R85-L88 PolarHBondContact O-N 3.11Å; R85-Q89 WeakPolarHBondContact O-CG 3.3Å; R85-Q89 PolarHBondContact O-N 3.13Å; R85-E108 IonicContact CZ-OE2 3.41Å; R85-E108 IonicContact NH1-OE2 2.8Å; R85-E108 PolarHBondContact NH1-OE2 2.87Å; R85-E108 IonicContact NH2-OE2 2.72Å; R85-E108 PolarHBondContact NH2-OE2 3.12Å; R85-T114 HydrophobicContact CG-CG2 3.92Å; R85-T114 WeakPolarHBondContact CG-OG1 3.31Å
86M98.2Very high96.9Very high47 Ų4741.1 Ų41.123%0.23221%0.212CC..Hα-helixtrans-70-36.2177.8-68.8178.56700112.7F60 P62 I82 V83 Y84 Q89 Q90F60-M86 HydrophobicContact CD1-CE 3.63Å; F60-M86 HydrophobicContact CD1-SD 3.77Å; F60-M86 HydrophobicContact CE1-CE 3.81Å; F60-M86 HydrophobicContact CE1-SD 3.5Å; F60-M86 WeakPolarHBondContact CE1-SD 3.44Å; P62-M86 HydrophobicContact CB-CB 4.11Å; P62-M86 HydrophobicContact CG-CB 4.47Å; P62-M86 HydrophobicContact CG-CE 4.17Å; I82-M86 HydrophobicContact CD1-CG 4.2Å; I82-M86 HydrophobicContact CD1-SD 4.48Å; I82-M86 HydrophobicContact CG1-CG 4.29Å; I82-M86 HydrophobicContact CG1-SD 4.07Å; I82-M86 VanDerWaalsContact O-CG 3.31Å; I82-M86 WeakPolarHBondContact O-CG 3.43Å; I82-M86 PolarHBondContact O-N 3.28Å; V83-M86 PolarHBondContact O-N 3.39Å; Y84-M86 VanDerWaalsContact C-N 3.3Å; Y84-M86 PolarHBondContact O-N 2.9Å; M86-Q89 PolarHBondContact O-N 3.32Å; M86-Q90 PolarHBondContact O-NE2 3.47Å
87L98.4Very high96.7Very high1 Ų142.1 Ų42.11%0.00522%0.216CC..Hα-helixtrans-66.1-39.8174.7-63.8173.8000111.6P62 I65 L66 M77 V83 Y84 Q89 Q90 L92 W118P62-L87 HydrophobicContact CB-CD2 4.21Å; I65-L87 HydrophobicContact CB-CD2 3.88Å; I65-L87 HydrophobicContact CG2-CD1 4.23Å; I65-L87 HydrophobicContact CG2-CD2 3.68Å; L66-L87 HydrophobicContact CD1-CD2 4.45Å; L66-L87 HydrophobicContact CD2-CB 4.37Å; L66-L87 HydrophobicContact CD2-CD2 3.69Å; L66-L87 HydrophobicContact CD2-CG 4.44Å; L66-L87 HydrophobicContact CG-CD2 3.63Å; M77-L87 HydrophobicContact CE-CD1 4.12Å; V83-L87 HydrophobicContact CG1-CD1 4.13Å; V83-L87 HydrophobicContact CG1-CG 4.45Å; V83-L87 VanDerWaalsContact O-CG 3.28Å; V83-L87 WeakPolarHBondContact O-CG 3.34Å; V83-L87 PolarHBondContact O-N 3.32Å; Y84-L87 PolarHBondContact O-N 2.79Å; L87-Q89 PolarHBondContact O-N 3.46Å; L87-Q90 WeakPolarHBondContact O-CB 3.31Å; L87-Q90 PolarHBondContact O-N 2.82Å; L87-L92 WeakPolarHBondContact O-CD2 3.48Å; L87-W118 HydrophobicContact CB-CZ3 4.16Å; L87-W118 HydrophobicContact CD1-CH2 4.2Å; L87-W118 HydrophobicContact CD1-CZ3 4.16Å
88L98.2Very high96.5Very high27 Ų2747 Ų4714%0.14125%0.248CC..Hα-helixtrans-65.2-18.4177.6-75.9168.3000114.1Y84 R85 Q90 L92 T114 N117 W118 Q121Y84-L88 WeakPolarHBondContact O-CB 3.23Å; Y84-L88 VanDerWaalsContact O-CG 3.31Å; Y84-L88 WeakPolarHBondContact O-CG 3.31Å; Y84-L88 PolarHBondContact O-N 3.49Å; R85-L88 PolarHBondContact O-N 3.11Å; L88-Q90 VanDerWaalsContact C-N 3.29Å; L88-L92 HydrophobicContact CD2-CD1 3.98Å; L88-T114 HydrophobicContact CD1-CG2 4.13Å; L88-N117 HydrophobicContact CD1-CB 3.9Å; L88-N117 HydrophobicContact CD2-CB 4.01Å; L88-W118 HydrophobicContact CD2-CE3 4.23Å; L88-W118 HydrophobicContact CG-CE3 4.28Å; L88-Q121 HydrophobicContact CD2-CG 4.4Å
89Q97.6Very high96.4Very high153 Ų15351.5 Ų51.572%0.71527%0.269SS*.THydrogen-bonded Turntrans-81-9.5173.1-68.2173.84.500113.1R85 M86 L87R85-Q89 WeakPolarHBondContact O-CG 3.3Å; R85-Q89 PolarHBondContact O-N 3.13Å; M86-Q89 PolarHBondContact O-N 3.32Å; L87-Q89 PolarHBondContact O-N 3.46Å
90Q97.5Very high96.5Very high46 Ų4651.8 Ų51.822%0.21527%0.271CS..SBendtrans-93.2165.5177.3-50.2-51.3-59.100110.7P62 L63 L66 M86 L87 L88 L92P62-Q90 HydrophobicContact CB-CG 4.02Å; P62-Q90 HydrophobicContact CG-CG 4.3Å; L63-Q90 HydrophobicContact CD2-CB 4.44Å; L63-Q90 HydrophobicContact CD2-CG 4.27Å; L63-Q90 VanDerWaalsContact CD2-OE1 3.24Å; L66-Q90 HydrophobicContact CD1-CB 3.38Å; L66-Q90 HydrophobicContact CD1-CG 3.66Å; M86-Q90 PolarHBondContact O-NE2 3.47Å; L87-Q90 WeakPolarHBondContact O-CB 3.31Å; L87-Q90 PolarHBondContact O-N 2.82Å; L88-Q90 VanDerWaalsContact C-N 3.29Å; Q90-L92 PolarHBondContact O-N 3.37Å
91D94.8Very high96.5Very high85 Ų8555.7 Ų55.746%0.45529%0.286SS..  trans-74.787.8170.5177.718.5000111.2S93 S94 Y95D91-S93 PolarHBondContact O-N 3.25Å; D91-S93 VanDerWaalsContact OD1-CB 3.28Å; D91-S93 WeakPolarHBondContact OD1-CB 3.38Å; D91-S93 PolarHBondContact OD1-N 2.76Å; D91-S93 PolarHBondContact OD1-OG 2.84Å; D91-S94 PolarHBondContact O-N 3.09Å; D91-S94 WeakPolarHBondContact OD2-CB 3.38Å; D91-S94 PolarHBondContact OD2-OG 3.11Å; D91-Y95 WeakPolarHBondContact O-CD2 3.34Å
92L94Very high96.5Very high6 Ų655.9 Ų55.93%0.03129%0.287CS..G310 helixtrans-66.2-16.8175.8-62.5-174.9000112.9L66 L87 L88 Q90 S94 Y95 W118 Q121 T122L66-L92 HydrophobicContact CD1-CD2 3.76Å; L66-L92 HydrophobicContact CD2-CD2 3.37Å; L66-L92 HydrophobicContact CG-CD2 4.23Å; L87-L92 WeakPolarHBondContact O-CD2 3.48Å; L88-L92 HydrophobicContact CD2-CD1 3.98Å; Q90-L92 PolarHBondContact O-N 3.37Å; L92-S94 VanDerWaalsContact C-N 3.25Å; L92-S94 PolarHBondContact O-N 3.17Å; L92-Y95 PolarHBondContact O-N 3.47Å; L92-W118 HydrophobicContact CD1-CZ3 4.3Å; L92-Q121 HydrophobicContact CD1-CB 3.79Å; L92-Q121 HydrophobicContact CD1-CG 4.46Å; L92-T122 HydrophobicContact CD1-CG2 4.05Å
93S93.1Very high96.5Very high80 Ų8052.9 Ų52.956%0.55927%0.272SS*.G310 helixtrans-67.9-31.2178.280.90000111.8D91 Y95 K96D91-S93 PolarHBondContact O-N 3.25Å; D91-S93 VanDerWaalsContact OD1-CB 3.28Å; D91-S93 WeakPolarHBondContact OD1-CB 3.38Å; D91-S93 PolarHBondContact OD1-N 2.76Å; D91-S93 PolarHBondContact OD1-OG 2.84Å; S93-Y95 VanDerWaalsContact C-N 3.34Å; S93-Y95 PolarHBondContact O-N 2.92Å; S93-K96 WeakPolarHBondContact O-CE 3.48Å; S93-K96 PolarHBondContact O-NZ 3.18Å
94S93.9Very high96.5Very high83 Ų8352.7 Ų52.758%0.5827%0.27SS*.G310 helixtrans-76.5-11178-74.40000114.8D91 L92D91-S94 PolarHBondContact O-N 3.09Å; D91-S94 WeakPolarHBondContact OD2-CB 3.38Å; D91-S94 PolarHBondContact OD2-OG 3.11Å; L92-S94 VanDerWaalsContact C-N 3.25Å; L92-S94 PolarHBondContact O-N 3.17Å
95Y94.4Very high96.5Very high49 Ų4952.7 Ų52.719%0.19227%0.27CS..  trans-125.9126.4-178.8-62.5-84.3000111L63 L66 K67 D91 L92 S93L63-Y95 HydrophobicContact CD2-CE2 4.45Å; L66-Y95 HydrophobicContact CB-CD1 4.32Å; L66-Y95 HydrophobicContact CB-CD2 4.16Å; L66-Y95 HydrophobicContact CB-CG 4.06Å; L66-Y95 HydrophobicContact CD1-CD2 4.05Å; L66-Y95 HydrophobicContact CD1-CE2 4.37Å; K67-Y95 WeakPolarHBondContact CE-OH 3.46Å; K67-Y95 HydrophobicContact CG-CD1 4.42Å; K67-Y95 HydrophobicContact CG-CE1 3.57Å; D91-Y95 WeakPolarHBondContact O-CD2 3.34Å; L92-Y95 PolarHBondContact O-N 3.47Å; S93-Y95 VanDerWaalsContact C-N 3.34Å; S93-Y95 PolarHBondContact O-N 2.92Å
96K91.6Very high96.5Very high138 Ų13849.8 Ų49.860%0.626%0.26SS*.  trans-113.6131.1174.9-56.6-59.1175.6-162.20109.6S70 S93 P98S70-K96 WeakPolarHBondContact CA-O 3.46Å; S70-K96 WeakPolarHBondContact CB-O 3.4Å; S70-K96 PolarHBondContact OG-O 2.97Å; S93-K96 WeakPolarHBondContact O-CE 3.48Å; S93-K96 PolarHBondContact O-NZ 3.18Å; K96-P98 VanDerWaalsContact C-CD 3.46Å; K96-P98 WeakPolarHBondContact O-CD 3.49Å
97F94.6Very high96.3Very high21 Ų2151.1 Ų51.19%0.09229%0.287CS..  trans-123.567.6177.634.9-97000109.6L66 L69 H99 L100 W118 T122 L124L66-F97 HydrophobicContact CD2-CE1 4.38Å; L69-F97 HydrophobicContact CB-CB 4.15Å; L69-F97 HydrophobicContact CB-CD1 4.33Å; L69-F97 HydrophobicContact CB-CG 4.43Å; L69-F97 WeakPolarHBondContact O-CB 3.5Å; F97-H99 PolarHBondContact O-N 2.94Å; F97-L100 HydrophobicContact CB-CB 4.3Å; F97-L100 HydrophobicContact CD2-CB 3.84Å; F97-L100 HydrophobicContact CD2-CD2 3.64Å; F97-L100 HydrophobicContact CD2-CG 4.39Å; F97-L100 HydrophobicContact CE2-CD2 3.91Å; F97-L100 HydrophobicContact CG-CB 4.47Å; F97-L100 HydrophobicContact CG-CD2 4.35Å; F97-L100 WeakPolarHBondContact O-CB 3.46Å; F97-L100 PolarHBondContact O-N 3.43Å; F97-W118 HydrophobicContact CE2-CZ2 4.48Å; F97-W118 HydrophobicContact CZ-CH2 4.18Å; F97-T122 HydrophobicContact CE2-CG2 4.02Å; F97-T122 HydrophobicContact CZ-CG2 3.64Å; F97-L124 HydrophobicContact CD2-CD1 4.49Å; F97-L124 HydrophobicContact CE2-CD1 4.25Å
98P93Very high96.2Very high103 Ų10355.1 Ų55.167%0.66931%0.305SS*.THydrogen-bonded Turntrans-64.5-14.6-171.428.7-37.1000113.9K96K96-P98 VanDerWaalsContact C-CD 3.46Å; K96-P98 WeakPolarHBondContact O-CD 3.49Å
99H97.8Very high96.1Very high95 Ų9558.3 Ų58.344%0.4433%0.33SS..THydrogen-bonded Turntrans-82.7-23177.6-61-67.6000113.1P73 I74 K75 F97P73-H99 HydrophobicContact CB-CB 4.48Å; I74-H99 CarbonylContact O-C 3.58Å; K75-H99 WeakPolarHBondContact CD-O 3.34Å; F97-H99 PolarHBondContact O-N 2.94Å
100L98.6Very high96.1Very high7 Ų751.5 Ų51.54%0.03730%0.298CS..  trans-71.5131.2-174.5-169.265.5000110.8L69 I74 M77 F97 W118 L124L69-L100 HydrophobicContact CD2-CD1 4.32Å; L69-L100 HydrophobicContact CD2-CD2 4.49Å; I74-L100 HydrophobicContact CG2-CD1 4.39Å; I74-L100 WeakPolarHBondContact O-CA 3.41Å; I74-L100 PolarHBondContact O-N 3.29Å; M77-L100 HydrophobicContact CB-CD1 4.02Å; M77-L100 HydrophobicContact CG-CD1 3.92Å; M77-L100 HydrophobicContact CG-CD2 4.34Å; M77-L100 HydrophobicContact SD-CD1 4.34Å; M77-L100 HydrophobicContact SD-CD2 3.77Å; F97-L100 HydrophobicContact CB-CB 4.3Å; F97-L100 HydrophobicContact CD2-CB 3.84Å; F97-L100 HydrophobicContact CD2-CD2 3.64Å; F97-L100 HydrophobicContact CD2-CG 4.39Å; F97-L100 HydrophobicContact CE2-CD2 3.91Å; F97-L100 HydrophobicContact CG-CB 4.47Å; F97-L100 HydrophobicContact CG-CD2 4.35Å; F97-L100 WeakPolarHBondContact O-CB 3.46Å; F97-L100 PolarHBondContact O-N 3.43Å; L100-W118 HydrophobicContact CD2-CZ2 4.27Å; L100-L124 HydrophobicContact CB-CD1 4.02Å; L100-L124 HydrophobicContact CD2-CD1 3.83Å; L100-L124 HydrophobicContact CG-CD1 3.81Å
101Q98.4Very high96.2Very high96 Ų9653.4 Ų53.445%0.44931%0.31SS..  trans-133.5-33.5-178.4-70.6-170.9-0.300113.8K75K75-Q101 HydrophobicContact CD-CB 4.14Å; K75-Q101 HydrophobicContact CD-CG 3.87Å; K75-Q101 PolarHBondContact O-N 3.38Å
102N98.5Very high96.3Very high5 Ų552.4 Ų52.43%0.02731%0.308CS..EExtended strand (participates in β ladder)trans-116.9116.5-178.7-51.5-69.3000109.9T18 G19 K75 S76 M77 L104 R127T18-N102 WeakPolarHBondContact O-CB 3.45Å; G19-N102 PolarHBondContact O-ND2 3.34Å; G19-N102 VanDerWaalsContact O-ND2 3.15Å; K75-N102 PolarHBondContact O-N 3.49Å; K75-N102 VanDerWaalsContact O-N 3.11Å; S76-N102 CarbonylContact C-O 3.37Å; S76-N102 VanDerWaalsContact CA-O 3.3Å; S76-N102 WeakPolarHBondContact CA-O 3.23Å; S76-N102 PolarHBondContact OG-ND2 3.48Å; M77-N102 PolarHBondContact N-O 3.08Å; N102-L104 HydrophobicContact CB-CD2 4Å; N102-R127 PolarHBondContact OD1-NH2 2.72Å; N102-R127 VanDerWaalsContact OD1-NH2 3.17Å
103C98.8Very high96.5Very high0 Ų058.4 Ų58.40%034%0.335CS..EExtended strand (participates in β ladder)trans-111.3119.9171.5-59.10000108.9M77 Y84 D125 I126 R127M77-C103 HydrophobicContact CG-CB 4.2Å; Y84-C103 HydrophobicContact CE1-CB 3.81Å; C103-D125 WeakPolarHBondContact CB-O 3.43Å; C103-I126 HydrophobicContact CB-CG1 4.39Å; C103-I126 CarbonylContact O-C 3.53Å; C103-I126 WeakPolarHBondContact O-CA 3.3Å; C103-R127 PolarHBondContact O-N 3.5Å
104L98.8Very high96.8Very high0 Ų055 Ų550%031%0.311CS..EExtended strand (participates in β ladder)trans-116139.7-178.4-56.9-43.8000109.9T18 M77 M78 G79 Y84 N102 R127 F129T18-L104 HydrophobicContact CG2-CD2 4.49Å; T18-L104 HydrophobicContact CG2-CG 4.42Å; M77-L104 WeakPolarHBondContact O-CD2 3.28Å; M77-L104 PolarHBondContact O-N 2.79Å; M78-L104 WeakPolarHBondContact CA-O 3.42Å; M78-L104 HydrophobicContact CB-CB 4.13Å; M78-L104 HydrophobicContact CG-CB 3.91Å; M78-L104 HydrophobicContact SD-CB 4.3Å; G79-L104 PolarHBondContact N-O 2.81Å; Y84-L104 WeakPolarHBondContact CE2-O 3.47Å; Y84-L104 PolarHBondContact OH-N 2.92Å; Y84-L104 PolarHBondContact OH-O 3.06Å; N102-L104 HydrophobicContact CB-CD2 4Å; L104-R127 WeakPolarHBondContact CA-O 3.06Å; L104-R127 HydrophobicContact CD1-CB 3.75Å; L104-F129 HydrophobicContact CB-CD1 4.2Å; L104-F129 HydrophobicContact CB-CE1 4.08Å
105A98.5Very high97Very high0 Ų051.2 Ų51.20%028%0.284CS..EExtended strand (participates in β ladder)trans-135.8140.5176.700000113.2G79 P81 Y84 L110 I126 R127 E128 F129G79-A105 VanDerWaalsContact O-CA 3.26Å; G79-A105 WeakPolarHBondContact O-CA 3.1Å; P81-A105 HydrophobicContact CG-CB 4.08Å; Y84-A105 HydrophobicContact CD2-CB 4.09Å; Y84-A105 HydrophobicContact CE2-CB 3.67Å; A105-L110 HydrophobicContact CB-CD1 4.49Å; A105-I126 HydrophobicContact CB-CG2 3.48Å; A105-I126 VanDerWaalsContact CB-CG2 3.48Å; A105-R127 PolarHBondContact N-O 2.82Å; A105-E128 CarbonylContact O-C 3.58Å; A105-E128 VanDerWaalsContact O-CA 3.25Å; A105-E128 WeakPolarHBondContact O-CA 3.26Å; A105-F129 VanDerWaalsContact C-CD1 3.41Å; A105-F129 WeakPolarHBondContact O-CD1 3.5Å; A105-F129 WeakPolarHBondContact O-CE1 3.41Å; A105-F129 PolarHBondContact O-N 3.38Å
106G97.8Very high97.2Very high3 Ų355.3 Ų55.33%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-168.9172.5177.600000112.6G79 A80 P81 E108 F129G79-G106 PolarHBondContact O-N 3.45Å; A80-G106 WeakPolarHBondContact CA-O 3.33Å; P81-G106 WeakPolarHBondContact CD-O 3.43Å; G106-E108 VanDerWaalsContact C-N 3.3Å; G106-F129 VanDerWaalsContact CA-O 3.23Å; G106-F129 WeakPolarHBondContact CA-O 3.39Å; G106-F129 VanDerWaalsContact N-CE1 3.32Å
107G94.7Very high97.5Very high76 Ų7651.8 Ų51.878%0.78429%0.293SS*.SBendtrans89.8-16.4-173.900000114.5
108E95.5Very high97.7Very high85 Ų8550.8 Ų50.840%0.39729%0.289SS..SBendtrans-138.7163.6166.1-59.8170.3-164.600107.9P81 R85 G106 L110P81-E108 HydrophobicContact CB-CB 4.42Å; P81-E108 HydrophobicContact CG-CB 3.92Å; P81-E108 WeakPolarHBondContact CG-O 3.49Å; R85-E108 IonicContact CZ-OE2 3.41Å; R85-E108 IonicContact NH1-OE2 2.8Å; R85-E108 PolarHBondContact NH1-OE2 2.87Å; R85-E108 IonicContact NH2-OE2 2.72Å; R85-E108 PolarHBondContact NH2-OE2 3.12Å; G106-E108 VanDerWaalsContact C-N 3.3Å; E108-L110 PolarHBondContact O-N 3.35Å
109S96.9Very high97.9Very high93 Ų9350 Ų5065%0.6527%0.272SS*.  trans-66.5130.1171.5-53.90000111.1L111S109-L111 PolarHBondContact O-N 3.19Å
110L98Very high97.9Very high10 Ų1049.4 Ų49.45%0.05228%0.284CS..  trans-78.3108.9171.9-178.665.3000110P81 A105 E108 T114 L115 I126 E128P81-L110 HydrophobicContact CB-CD1 4.35Å; A105-L110 HydrophobicContact CB-CD1 4.49Å; E108-L110 PolarHBondContact O-N 3.35Å; L110-T114 HydrophobicContact CD1-CG2 3.92Å; L110-L115 HydrophobicContact CD2-CB 4.28Å; L110-I126 HydrophobicContact CD1-CD1 4.17Å; L110-I126 HydrophobicContact CD1-CG2 4.16Å; L110-I126 HydrophobicContact CD2-CB 3.88Å; L110-I126 HydrophobicContact CD2-CG2 3.68Å; L110-E128 HydrophobicContact CB-CB 4.32Å; L110-E128 VanDerWaalsContact CB-CD 3.48Å; L110-E128 HydrophobicContact CB-CG 4.02Å; L110-E128 HydrophobicContact CD2-CB 4.19Å; L110-E128 PolarHBondContact N-OE1 2.85Å
111L97.9Very high97.8Very high87 Ų8753.5 Ų53.546%0.45530%0.303SS..  trans-63.9136.1176.9-59.4179.2000110.7S109 E113 T114 L115S109-L111 PolarHBondContact O-N 3.19Å; L111-E113 PolarHBondContact O-N 3.36Å; L111-E113 VanDerWaalsContact O-N 3.17Å; L111-T114 WeakPolarHBondContact O-CB 3.35Å; L111-T114 PolarHBondContact O-N 3.49Å; L111-L115 PolarHBondContact O-N 3.22Å
112P98Very high97.8Very high64 Ų6450.5 Ų50.542%0.41629%0.291SS..Hα-helixtrans-51-39.7176-30.436.4000113.6T114 L115 E116 P149P112-T114 VanDerWaalsContact C-N 3.34Å; P112-T114 PolarHBondContact O-N 2.57Å; P112-L115 WeakPolarHBondContact O-CB 3.44Å; P112-L115 PolarHBondContact O-N 2.75Å; P112-E116 WeakPolarHBondContact O-CB 3.42Å; P112-E116 PolarHBondContact O-N 2.8Å; P112-P149 HydrophobicContact CB-CB 3.92Å; P112-P149 HydrophobicContact CG-CB 4.24Å
113E98.1Very high97.7Very high131 Ų13153.3 Ų53.361%0.61232%0.321SS*.Hα-helixtrans-62.7-37.6176.9-178.2-179.1-172.300112.6L111 E116 N117L111-E113 PolarHBondContact O-N 3.36Å; L111-E113 VanDerWaalsContact O-N 3.17Å; E113-E116 PolarHBondContact O-N 3.46Å; E113-N117 WeakPolarHBondContact CG-ND2 3.37Å; E113-N117 VanDerWaalsContact O-CB 3.31Å; E113-N117 WeakPolarHBondContact O-CB 3.16Å; E113-N117 VanDerWaalsContact O-CG 3.32Å; E113-N117 PolarHBondContact O-N 3.5Å; E113-N117 PolarHBondContact O-ND2 3.41Å
114T98.4Very high97.6Very high8 Ų854.9 Ų54.95%0.04933%0.33CS..Hα-helixtrans-65.8-42.3176.7-58.40000110.7R85 L88 L110 L111 P112 W118 I126R85-T114 HydrophobicContact CG-CG2 3.92Å; R85-T114 WeakPolarHBondContact CG-OG1 3.31Å; L88-T114 HydrophobicContact CD1-CG2 4.13Å; L110-T114 HydrophobicContact CD1-CG2 3.92Å; L111-T114 WeakPolarHBondContact O-CB 3.35Å; L111-T114 PolarHBondContact O-N 3.49Å; P112-T114 VanDerWaalsContact C-N 3.34Å; P112-T114 PolarHBondContact O-N 2.57Å; T114-W118 VanDerWaalsContact O-CB 3.31Å; T114-W118 WeakPolarHBondContact O-CB 3.31Å; T114-W118 PolarHBondContact O-N 3.05Å; T114-I126 HydrophobicContact CG2-CD1 4.26Å
115L98.4Very high97.6Very high4 Ų458.1 Ų58.12%0.02135%0.347CS..Hα-helixtrans-63.5-45.7175.9172.164000111.9L110 L111 P112 R119 I126 I147 P149L110-L115 HydrophobicContact CD2-CB 4.28Å; L111-L115 PolarHBondContact O-N 3.22Å; P112-L115 WeakPolarHBondContact O-CB 3.44Å; P112-L115 PolarHBondContact O-N 2.75Å; L115-R119 HydrophobicContact CD1-CG 4.49Å; L115-R119 WeakPolarHBondContact O-CG 3.49Å; L115-R119 PolarHBondContact O-N 2.93Å; L115-I126 HydrophobicContact CD1-CB 4.04Å; L115-I126 WeakPolarHBondContact CD1-O 3.36Å; L115-I147 HydrophobicContact CD2-CG2 3.53Å; L115-P149 HydrophobicContact CD2-CB 4.21Å; L115-P149 HydrophobicContact CD2-CG 4.02Å
116E98.4Very high97.6Very high135 Ų13558.2 Ų58.263%0.63135%0.347SS*.Hα-helixtrans-63.4-49-180-176.4173.9-174.700111.8P112 E113 W118 R119 A120P112-E116 WeakPolarHBondContact O-CB 3.42Å; P112-E116 PolarHBondContact O-N 2.8Å; E113-E116 PolarHBondContact O-N 3.46Å; E116-W118 VanDerWaalsContact C-N 3.35Å; E116-W118 PolarHBondContact O-N 3.3Å; E116-R119 WeakPolarHBondContact O-CB 3.38Å; E116-R119 PolarHBondContact O-N 3.47Å; E116-A120 WeakPolarHBondContact O-CB 3.44Å; E116-A120 PolarHBondContact O-N 3.22Å
117N98.3Very high97.7Very high64 Ų6458.9 Ų58.934%0.34235%0.349SS..Hα-helixtrans-64.9-38.1179.6-73.8-26.4000112.2L88 E113 A120 Q121L88-N117 HydrophobicContact CD1-CB 3.9Å; L88-N117 HydrophobicContact CD2-CB 4.01Å; E113-N117 WeakPolarHBondContact CG-ND2 3.37Å; E113-N117 VanDerWaalsContact O-CB 3.31Å; E113-N117 WeakPolarHBondContact O-CB 3.16Å; E113-N117 VanDerWaalsContact O-CG 3.32Å; E113-N117 PolarHBondContact O-N 3.5Å; E113-N117 PolarHBondContact O-ND2 3.41Å; N117-A120 PolarHBondContact O-N 3.08Å; N117-Q121 WeakPolarHBondContact O-CG 3.47Å; N117-Q121 PolarHBondContact O-N 2.96Å
118W98.4Very high97.9Very high0 Ų056.1 Ų56.10%032%0.316CS..Hα-helixtrans-62.8-45.8174.6-174.6-102.3000111.9M77 Y84 L87 L88 L92 F97 L100 T114 E116 A120 Q121 T122 I126M77-W118 HydrophobicContact SD-CH2 4.47Å; M77-W118 HydrophobicContact SD-CZ2 4.28Å; Y84-W118 AromaticContact CD1-CD2 3.98Å; Y84-W118 HydrophobicContact CD1-CD2 3.98Å; Y84-W118 HydrophobicContact CD1-CE3 4.04Å; Y84-W118 HydrophobicContact CD1-CH2 4.25Å; Y84-W118 HydrophobicContact CD1-CZ2 4.19Å; Y84-W118 HydrophobicContact CD1-CZ3 4.17Å; Y84-W118 HydrophobicContact CE1-CZ2 4.17Å; L87-W118 HydrophobicContact CB-CZ3 4.16Å; L87-W118 HydrophobicContact CD1-CH2 4.2Å; L87-W118 HydrophobicContact CD1-CZ3 4.16Å; L88-W118 HydrophobicContact CD2-CE3 4.23Å; L88-W118 HydrophobicContact CG-CE3 4.28Å; L92-W118 HydrophobicContact CD1-CZ3 4.3Å; F97-W118 HydrophobicContact CE2-CZ2 4.48Å; F97-W118 HydrophobicContact CZ-CH2 4.18Å; L100-W118 HydrophobicContact CD2-CZ2 4.27Å; T114-W118 VanDerWaalsContact O-CB 3.31Å; T114-W118 WeakPolarHBondContact O-CB 3.31Å; T114-W118 PolarHBondContact O-N 3.05Å; E116-W118 VanDerWaalsContact C-N 3.35Å; E116-W118 PolarHBondContact O-N 3.3Å; W118-A120 PolarHBondContact O-N 2.87Å; W118-Q121 PolarHBondContact O-N 3.48Å; W118-T122 HydrophobicContact CD2-CG2 3.82Å; W118-T122 HydrophobicContact CE3-CG2 3.85Å; W118-T122 HydrophobicContact CG-CG2 4.48Å; W118-T122 HydrophobicContact CH2-CG2 3.99Å; W118-T122 HydrophobicContact CZ2-CG2 3.96Å; W118-T122 HydrophobicContact CZ3-CG2 3.93Å; W118-T122 PolarHBondContact NE1-OG1 3.35Å; W118-T122 WeakPolarHBondContact O-CB 3.26Å; W118-T122 WeakPolarHBondContact O-CG2 3.46Å; W118-T122 PolarHBondContact O-N 2.65Å; W118-T122 PolarHBondContact O-OG1 2.97Å; W118-I126 HydrophobicContact CB-CD1 3.65Å; W118-I126 HydrophobicContact CB-CG1 4Å; W118-I126 HydrophobicContact CD2-CD1 4.3Å; W118-I126 HydrophobicContact CD2-CG1 4.42Å; W118-I126 HydrophobicContact CG-CD1 3.65Å; W118-I126 HydrophobicContact CG-CG1 3.65Å
119R97.9Very high98Very high87 Ų8753.1 Ų53.133%0.32830%0.301SS..Hα-helixtrans-58.5-46.3173.7-81.4173166-178.9-10112L115 E116 Q121 G123 L124 D125L115-R119 HydrophobicContact CD1-CG 4.49Å; L115-R119 WeakPolarHBondContact O-CG 3.49Å; L115-R119 PolarHBondContact O-N 2.93Å; E116-R119 WeakPolarHBondContact O-CB 3.38Å; E116-R119 PolarHBondContact O-N 3.47Å; R119-Q121 PolarHBondContact O-N 3.01Å; R119-G123 VanDerWaalsContact O-CA 3.24Å; R119-G123 WeakPolarHBondContact O-CA 3.39Å; R119-G123 PolarHBondContact O-N 2.99Å; R119-L124 WeakPolarHBondContact CA-O 3.49Å; R119-L124 VanDerWaalsContact CG-O 3.25Å; R119-L124 WeakPolarHBondContact CG-O 3.46Å; R119-D125 WeakPolarHBondContact CG-OD1 3.34Å; R119-D125 IonicContact CZ-OD1 3.24Å; R119-D125 VanDerWaalsContact CZ-OD1 3.24Å; R119-D125 IonicContact CZ-OD2 3.74Å; R119-D125 IonicContact NE-OD1 2.61Å; R119-D125 PolarHBondContact NE-OD1 3.29Å; R119-D125 IonicContact NE-OD2 3.85Å; R119-D125 IonicContact NH2-OD1 3.58Å; R119-D125 PolarHBondContact NH2-OD1 3.16Å; R119-D125 VanDerWaalsContact NH2-OD1 3.08Å; R119-D125 IonicContact NH2-OD2 2.75Å; R119-D125 PolarHBondContact NH2-OD2 2.88Å
120A97.6Very high98.1Very high82 Ų8252.3 Ų52.368%0.67828%0.284SS*.Hα-helixtrans-62.9-41-17800000112.7E116 N117 W118E116-A120 WeakPolarHBondContact O-CB 3.44Å; E116-A120 PolarHBondContact O-N 3.22Å; N117-A120 PolarHBondContact O-N 3.08Å; W118-A120 PolarHBondContact O-N 2.87Å
121Q97.1Very high98.1Very high94 Ų9453.2 Ų53.244%0.43930%0.297SS..Hα-helixtrans-86.5-27.7-176-65.4-162.452.600114.1L88 L92 N117 W118 R119L88-Q121 HydrophobicContact CD2-CG 4.4Å; L92-Q121 HydrophobicContact CD1-CB 3.79Å; L92-Q121 HydrophobicContact CD1-CG 4.46Å; N117-Q121 WeakPolarHBondContact O-CG 3.47Å; N117-Q121 PolarHBondContact O-N 2.96Å; W118-Q121 PolarHBondContact O-N 3.48Å; R119-Q121 PolarHBondContact O-N 3.01Å
122T97.2Very high98.1Very high32 Ų3253.8 Ų53.820%0.19630%0.297CS..Hα-helixtrans-117.2-18.5-171.174.50000114.1L92 F97 W118 L124L92-T122 HydrophobicContact CD1-CG2 4.05Å; F97-T122 HydrophobicContact CE2-CG2 4.02Å; F97-T122 HydrophobicContact CZ-CG2 3.64Å; W118-T122 HydrophobicContact CD2-CG2 3.82Å; W118-T122 HydrophobicContact CE3-CG2 3.85Å; W118-T122 HydrophobicContact CG-CG2 4.48Å; W118-T122 HydrophobicContact CH2-CG2 3.99Å; W118-T122 HydrophobicContact CZ2-CG2 3.96Å; W118-T122 HydrophobicContact CZ3-CG2 3.93Å; W118-T122 PolarHBondContact NE1-OG1 3.35Å; W118-T122 WeakPolarHBondContact O-CB 3.26Å; W118-T122 WeakPolarHBondContact O-CG2 3.46Å; W118-T122 PolarHBondContact O-N 2.65Å; W118-T122 PolarHBondContact O-OG1 2.97Å; T122-L124 PolarHBondContact O-N 2.64Å; T122-L124 WeakPolarHBondContact OG1-CB 3.32Å; T122-L124 PolarHBondContact OG1-N 2.97Å; T122-L124 VanDerWaalsContact OG1-N 3.09Å
123G97Very high98.1Very high64 Ų6454.7 Ų54.766%0.6630%0.301SS*.SBendtrans71.85.2-170.100000114.3R119R119-G123 VanDerWaalsContact O-CA 3.24Å; R119-G123 WeakPolarHBondContact O-CA 3.39Å; R119-G123 PolarHBondContact O-N 2.99Å
124L97.9Very high98.1Very high34 Ų3450.4 Ų50.418%0.17828%0.281CS..  trans-106.4153.8-178.1-60.6175.5000111.8F97 L100 R119 T122F97-L124 HydrophobicContact CD2-CD1 4.49Å; F97-L124 HydrophobicContact CE2-CD1 4.25Å; L100-L124 HydrophobicContact CB-CD1 4.02Å; L100-L124 HydrophobicContact CD2-CD1 3.83Å; L100-L124 HydrophobicContact CG-CD1 3.81Å; R119-L124 WeakPolarHBondContact CA-O 3.49Å; R119-L124 VanDerWaalsContact CG-O 3.25Å; R119-L124 WeakPolarHBondContact CG-O 3.46Å; T122-L124 PolarHBondContact O-N 2.64Å; T122-L124 WeakPolarHBondContact OG1-CB 3.32Å; T122-L124 PolarHBondContact OG1-N 2.97Å; T122-L124 VanDerWaalsContact OG1-N 3.09Å
125D98.2Very high98.1Very high68 Ų6850.6 Ų50.636%0.36428%0.283SS..PPolyproline II helixtrans-93.1143.9176.2-72.9-3.1000111.2C103 R119 I147C103-D125 WeakPolarHBondContact CB-O 3.43Å; R119-D125 WeakPolarHBondContact CG-OD1 3.34Å; R119-D125 IonicContact CZ-OD1 3.24Å; R119-D125 VanDerWaalsContact CZ-OD1 3.24Å; R119-D125 IonicContact CZ-OD2 3.74Å; R119-D125 IonicContact NE-OD1 2.61Å; R119-D125 PolarHBondContact NE-OD1 3.29Å; R119-D125 IonicContact NE-OD2 3.85Å; R119-D125 IonicContact NH2-OD1 3.58Å; R119-D125 PolarHBondContact NH2-OD1 3.16Å; R119-D125 VanDerWaalsContact NH2-OD1 3.08Å; R119-D125 IonicContact NH2-OD2 2.75Å; R119-D125 PolarHBondContact NH2-OD2 2.88Å; D125-I147 HydrophobicContact CB-CD1 3.5Å; D125-I147 VanDerWaalsContact CB-CD1 3.5Å; D125-I147 VanDerWaalsContact OD2-CD1 3.31Å; D125-I147 WeakPolarHBondContact OD2-CD1 3.36Å
126I98.7Very high98Very high1 Ų151 Ų511%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-96.7120163.8-51.1176.1000108.2Y84 C103 A105 L110 T114 L115 W118Y84-I126 HydrophobicContact CD1-CD1 3.6Å; Y84-I126 HydrophobicContact CD1-CG1 4.11Å; Y84-I126 HydrophobicContact CD2-CD1 4.25Å; Y84-I126 HydrophobicContact CE1-CD1 4.13Å; Y84-I126 HydrophobicContact CE1-CG1 4.17Å; Y84-I126 HydrophobicContact CE2-CG2 4.3Å; Y84-I126 HydrophobicContact CG-CD1 3.65Å; C103-I126 HydrophobicContact CB-CG1 4.39Å; C103-I126 CarbonylContact O-C 3.53Å; C103-I126 WeakPolarHBondContact O-CA 3.3Å; A105-I126 HydrophobicContact CB-CG2 3.48Å; A105-I126 VanDerWaalsContact CB-CG2 3.48Å; L110-I126 HydrophobicContact CD1-CD1 4.17Å; L110-I126 HydrophobicContact CD1-CG2 4.16Å; L110-I126 HydrophobicContact CD2-CB 3.88Å; L110-I126 HydrophobicContact CD2-CG2 3.68Å; T114-I126 HydrophobicContact CG2-CD1 4.26Å; L115-I126 HydrophobicContact CD1-CB 4.04Å; L115-I126 WeakPolarHBondContact CD1-O 3.36Å; W118-I126 HydrophobicContact CB-CD1 3.65Å; W118-I126 HydrophobicContact CB-CG1 4Å; W118-I126 HydrophobicContact CD2-CD1 4.3Å; W118-I126 HydrophobicContact CD2-CG1 4.42Å; W118-I126 HydrophobicContact CG-CD1 3.65Å; W118-I126 HydrophobicContact CG-CG1 3.65Å
127R98.6Very high98Very high17 Ų1745.3 Ų45.36%0.06426%0.261CS..EExtended strand (participates in β ladder)trans-95.8118.6173.9-72-173.9-70131.8-10.9109.8W17 T18 N102 C103 L104 A105 V141 I147W17-R127 PolarHBondContact O-NH1 3.19Å; W17-R127 VanDerWaalsContact O-NH1 3.07Å; T18-R127 VanDerWaalsContact C-NH2 3.34Å; T18-R127 PolarHBondContact O-NH2 2.88Å; N102-R127 PolarHBondContact OD1-NH2 2.72Å; N102-R127 VanDerWaalsContact OD1-NH2 3.17Å; C103-R127 PolarHBondContact O-N 3.5Å; L104-R127 WeakPolarHBondContact CA-O 3.06Å; L104-R127 HydrophobicContact CD1-CB 3.75Å; A105-R127 PolarHBondContact N-O 2.82Å; R127-V141 HydrophobicContact CB-CB 4.19Å; R127-V141 WeakPolarHBondContact CD-O 3.38Å; R127-V141 HydrophobicContact CG-CB 4.35Å; R127-V141 HydrophobicContact CG-CG1 4.21Å; R127-V141 PolarHBondContact NH1-O 2.89Å; R127-I147 HydrophobicContact CG-CD1 3.94Å; R127-I147 HydrophobicContact CG-CG1 4.31Å
128E98.6Very high98.1Very high19 Ų1942.4 Ų42.49%0.08925%0.246CC..EExtended strand (participates in β ladder)trans-78.4146.4-179.2-168.8171-162.800111.5A105 L110 V141 M152A105-E128 CarbonylContact O-C 3.58Å; A105-E128 VanDerWaalsContact O-CA 3.25Å; A105-E128 WeakPolarHBondContact O-CA 3.26Å; L110-E128 HydrophobicContact CB-CB 4.32Å; L110-E128 VanDerWaalsContact CB-CD 3.48Å; L110-E128 HydrophobicContact CB-CG 4.02Å; L110-E128 HydrophobicContact CD2-CB 4.19Å; L110-E128 PolarHBondContact N-OE1 2.85Å; E128-V141 PolarHBondContact O-N 2.97Å; E128-M152 HydrophobicContact CG-CB 3.98Å
129F98.4Very high98.1Very high21 Ų2142.8 Ų42.89%0.09225%0.248CC..EExtended strand (participates in β ladder)trans-137.5152.1169.467-89.5000110.9W17 L36 M78 L104 A105 G106 L137 C139 M140W17-F129 HydrophobicContact CH2-CB 3.9Å; W17-F129 AromaticContact CH2-CD1 3.65Å; W17-F129 HydrophobicContact CH2-CD1 3.65Å; W17-F129 HydrophobicContact CH2-CD2 4.23Å; W17-F129 HydrophobicContact CH2-CE1 4.22Å; W17-F129 AromaticContact CH2-CG 3.65Å; W17-F129 HydrophobicContact CH2-CG 3.65Å; W17-F129 HydrophobicContact CZ3-CB 3.8Å; W17-F129 HydrophobicContact CZ3-CD1 4.07Å; W17-F129 HydrophobicContact CZ3-CG 4.05Å; L36-F129 HydrophobicContact CD1-CE2 3.91Å; L36-F129 HydrophobicContact CD1-CZ 3.7Å; M78-F129 HydrophobicContact CG-CE1 3.71Å; M78-F129 HydrophobicContact CG-CZ 3.92Å; M78-F129 HydrophobicContact SD-CD1 4.49Å; M78-F129 HydrophobicContact SD-CE1 3.64Å; M78-F129 HydrophobicContact SD-CZ 3.69Å; L104-F129 HydrophobicContact CB-CD1 4.2Å; L104-F129 HydrophobicContact CB-CE1 4.08Å; A105-F129 VanDerWaalsContact C-CD1 3.41Å; A105-F129 WeakPolarHBondContact O-CD1 3.5Å; A105-F129 WeakPolarHBondContact O-CE1 3.41Å; A105-F129 PolarHBondContact O-N 3.38Å; G106-F129 VanDerWaalsContact CA-O 3.23Å; G106-F129 WeakPolarHBondContact CA-O 3.39Å; G106-F129 VanDerWaalsContact N-CE1 3.32Å; F129-L137 HydrophobicContact CB-CD1 3.82Å; F129-L137 HydrophobicContact CD2-CD1 4.24Å; F129-L137 HydrophobicContact CG-CD1 4.35Å; F129-C139 CarbonylContact C-O 3.59Å; F129-C139 WeakPolarHBondContact CA-O 3.33Å; F129-M140 HydrophobicContact CB-CB 3.95Å
130Y98.6Very high98.1Very high76 Ų7639.3 Ų39.330%0.29824%0.236SC..EExtended strand (participates in β ladder)trans-132.2146-175168-98000111.4T138 C139 M152 I179Y130-T138 HydrophobicContact CD1-CG2 4.16Å; Y130-T138 HydrophobicContact CE1-CG2 4.16Å; Y130-T138 WeakPolarHBondContact O-CA 3.5Å; Y130-T138 WeakPolarHBondContact O-CB 3.38Å; Y130-T138 PolarHBondContact O-N 2.96Å; Y130-C139 HydrophobicContact CD1-CB 4.36Å; Y130-C139 PolarHBondContact N-O 3.31Å; Y130-C139 PolarHBondContact O-N 3.06Å; Y130-M152 WeakPolarHBondContact CB-SD 3.36Å; Y130-M152 HydrophobicContact CD1-CE 3.65Å; Y130-M152 HydrophobicContact CD1-SD 3.86Å; Y130-M152 HydrophobicContact CD2-CE 4.34Å; Y130-M152 HydrophobicContact CD2-SD 3.68Å; Y130-M152 HydrophobicContact CE1-CE 4.08Å; Y130-M152 HydrophobicContact CE2-SD 4.45Å; Y130-M152 HydrophobicContact CG-CE 3.79Å; Y130-M152 HydrophobicContact CG-SD 3.33Å; Y130-I179 HydrophobicContact CE1-CG2 4.43Å
131G97.8Very high98.1Very high30 Ų3035.7 Ų35.731%0.30921%0.205SC..EExtended strand (participates in β ladder)trans172.6177.9178.100000111.9G136G131-G136 WeakPolarHBondContact CA-O 3.48Å
132Q97.9Very high98Very high98 Ų9832.6 Ų32.646%0.45819%0.194SC..EExtended strand (participates in β ladder)trans-140.7169.5174.758.9-179.7300109.8E134 T135 G136Q132-E134 HydrophobicContact CG-CB 4.37Å; Q132-E134 PolarHBondContact O-N 2.92Å; Q132-E134 VanDerWaalsContact O-N 3.14Å; Q132-T135 HydrophobicContact CG-CG2 4.01Å; Q132-T135 WeakPolarHBondContact CG-OG1 3.35Å; Q132-T135 PolarHBondContact N-OG1 2.72Å; Q132-T135 PolarHBondContact O-N 2.96Å; Q132-T135 PolarHBondContact O-OG1 3.27Å; Q132-G136 PolarHBondContact O-N 3.17Å
133T98.2Very high97.9Very high84 Ų8436.1 Ų36.152%0.51521%0.207SC..THydrogen-bonded Turntrans-50.3-41.9-180-55.80000112H2 I35 T135H2-T133 PolarHBondContact CE1-O 2.61Å; H2-T133 PolarHBondContact NE2-O 2.86Å; I35-T133 HydrophobicContact CD1-CG2 4.29Å; I35-T133 WeakPolarHBondContact CD1-O 3.33Å; T133-T135 VanDerWaalsContact C-N 3.29Å; T133-T135 PolarHBondContact O-N 3.46Å
134E98.4Very high97.8Very high40 Ų4039.6 Ų39.619%0.18722%0.215CC..THydrogen-bonded Turntrans-71.5-18.7-175.3-63.788.4161.700114.5Q132 F192 Y195Q132-E134 HydrophobicContact CG-CB 4.37Å; Q132-E134 PolarHBondContact O-N 2.92Å; Q132-E134 VanDerWaalsContact O-N 3.14Å; E134-F192 HydrophobicContact CB-CD1 4.02Å; E134-F192 HydrophobicContact CB-CD2 4.04Å; E134-F192 HydrophobicContact CB-CE1 4.08Å; E134-F192 HydrophobicContact CB-CE2 4.08Å; E134-F192 HydrophobicContact CB-CG 4.03Å; E134-F192 HydrophobicContact CB-CZ 4.11Å; E134-F192 HydrophobicContact CG-CD1 4.48Å; E134-F192 HydrophobicContact CG-CD2 3.81Å; E134-F192 HydrophobicContact CG-CE1 4.24Å; E134-F192 HydrophobicContact CG-CE2 3.5Å; E134-F192 VanDerWaalsContact CG-CE2 3.5Å; E134-F192 HydrophobicContact CG-CG 4.31Å; E134-F192 HydrophobicContact CG-CZ 3.75Å; E134-F192 WeakPolarHBondContact O-CB 3.48Å; E134-F192 PolarHBondContact O-N 3.1Å; E134-Y195 HydrophobicContact CG-CE1 4.12Å; E134-Y195 PolarHBondContact OE1-OH 3.27Å
135T98.1Very high97.7Very high13 Ų1340.8 Ų40.88%0.0822%0.22CC..THydrogen-bonded Turntrans-126.4-16.6-168.258.40000113.9Q132 T133 T138 Y159 I181 I191Q132-T135 HydrophobicContact CG-CG2 4.01Å; Q132-T135 WeakPolarHBondContact CG-OG1 3.35Å; Q132-T135 PolarHBondContact N-OG1 2.72Å; Q132-T135 PolarHBondContact O-N 2.96Å; Q132-T135 PolarHBondContact O-OG1 3.27Å; T133-T135 VanDerWaalsContact C-N 3.29Å; T133-T135 PolarHBondContact O-N 3.46Å; T135-T138 WeakPolarHBondContact CB-OG1 3.16Å; T135-T138 PolarHBondContact OG1-OG1 2.81Å; T135-Y159 PolarHBondContact O-OH 3.46Å; T135-I181 HydrophobicContact CG2-CD1 3.68Å; T135-I191 HydrophobicContact CG2-CD1 4.02Å
136G97.9Very high97.7Very high11 Ų1146.1 Ų46.111%0.11324%0.24CC..EExtended strand (participates in β ladder)trans62.4-143.3-172.300000111.7G131 Q132 T138G131-G136 WeakPolarHBondContact CA-O 3.48Å; Q132-G136 PolarHBondContact O-N 3.17Å; G136-T138 PolarHBondContact O-N 3.48Å; G136-T138 VanDerWaalsContact O-N 3.17Å; G136-T138 PolarHBondContact O-OG1 3.11Å
137L98.3Very high97.6Very high17 Ų1747 Ų479%0.08925%0.245CC..EExtended strand (participates in β ladder)trans-66.1111.5176-177.467.8000110.7D14 W17 F129 M140 A156 Y159D14-L137 HydrophobicContact CB-CD2 4.48Å; W17-L137 HydrophobicContact CB-CD2 4.49Å; W17-L137 HydrophobicContact CD2-CD2 3.57Å; W17-L137 HydrophobicContact CE3-CD1 4.4Å; W17-L137 HydrophobicContact CE3-CD2 4.12Å; W17-L137 HydrophobicContact CG-CD2 3.75Å; W17-L137 HydrophobicContact CH2-CD1 4.04Å; W17-L137 HydrophobicContact CZ2-CD1 4.14Å; W17-L137 HydrophobicContact CZ2-CD2 4.23Å; W17-L137 HydrophobicContact CZ3-CD1 4.18Å; F129-L137 HydrophobicContact CB-CD1 3.82Å; F129-L137 HydrophobicContact CD2-CD1 4.24Å; F129-L137 HydrophobicContact CG-CD1 4.35Å; L137-M140 HydrophobicContact CD1-CB 4.16Å; L137-M140 HydrophobicContact CD2-CE 4Å; L137-M140 HydrophobicContact CD2-SD 4.2Å; L137-M140 HydrophobicContact CG-SD 4.35Å; L137-A156 HydrophobicContact CD2-CB 4.49Å; L137-A156 HydrophobicContact CG-CB 4.21Å; L137-A156 WeakPolarHBondContact O-CB 3.39Å; L137-Y159 WeakPolarHBondContact O-CE2 3.37Å
138T98.6Very high97.6Very high3 Ų352.4 Ų52.42%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-105.9-47.3-175-63.70000113Y130 T135 G136 A156 Y159 V161 I181Y130-T138 HydrophobicContact CD1-CG2 4.16Å; Y130-T138 HydrophobicContact CE1-CG2 4.16Å; Y130-T138 WeakPolarHBondContact O-CA 3.5Å; Y130-T138 WeakPolarHBondContact O-CB 3.38Å; Y130-T138 PolarHBondContact O-N 2.96Å; T135-T138 WeakPolarHBondContact CB-OG1 3.16Å; T135-T138 PolarHBondContact OG1-OG1 2.81Å; G136-T138 PolarHBondContact O-N 3.48Å; G136-T138 VanDerWaalsContact O-N 3.17Å; G136-T138 PolarHBondContact O-OG1 3.11Å; T138-A156 WeakPolarHBondContact O-CB 3.15Å; T138-A156 PolarHBondContact O-N 2.99Å; T138-Y159 HydrophobicContact CG2-CD2 4.33Å; T138-V161 HydrophobicContact CG2-CG1 4.45Å; T138-V161 HydrophobicContact CG2-CG2 3.9Å; T138-I181 HydrophobicContact CG2-CD1 3.64Å; T138-I181 HydrophobicContact CG2-CG1 4.11Å
139C98.7Very high97.5Very high7 Ų755 Ų555%0.04729%0.287CS..EExtended strand (participates in β ladder)trans-134.9152.5174.2-64.10000109.9F129 Y130 M152 T154F129-C139 CarbonylContact C-O 3.59Å; F129-C139 WeakPolarHBondContact CA-O 3.33Å; Y130-C139 HydrophobicContact CD1-CB 4.36Å; Y130-C139 PolarHBondContact N-O 3.31Å; Y130-C139 PolarHBondContact O-N 3.06Å; C139-M152 HydrophobicContact CB-CG 4.37Å; C139-T154 CarbonylContact C-O 3.6Å; C139-T154 WeakPolarHBondContact CA-O 3.45Å; C139-T154 WeakPolarHBondContact CB-O 3.47Å
140M98.3Very high97.4Very high15 Ų1556.5 Ų56.57%0.07431%0.309CS..EExtended strand (participates in β ladder)trans-158160.1175.466.3-70.7-152.400113.2W17 F129 L137 M152 G153 T154 A156W17-M140 HydrophobicContact CB-CE 4.29Å; W17-M140 HydrophobicContact CE3-CB 4.09Å; W17-M140 HydrophobicContact CE3-CG 4.08Å; W17-M140 HydrophobicContact CZ3-CB 4.17Å; F129-M140 HydrophobicContact CB-CB 3.95Å; L137-M140 HydrophobicContact CD1-CB 4.16Å; L137-M140 HydrophobicContact CD2-CE 4Å; L137-M140 HydrophobicContact CD2-SD 4.2Å; L137-M140 HydrophobicContact CG-SD 4.35Å; M140-M152 CarbonylContact C-O 3.48Å; M140-M152 WeakPolarHBondContact CA-O 3.2Å; M140-G153 WeakPolarHBondContact O-CA 3.32Å; M140-T154 PolarHBondContact N-O 3.3Å; M140-T154 PolarHBondContact O-N 2.94Å; M140-A156 HydrophobicContact CE-CB 3.75Å; M140-A156 WeakPolarHBondContact SD-CA 3.45Å; M140-A156 HydrophobicContact SD-CB 3.57Å; M140-A156 VanDerWaalsContact SD-CB 3.57Å
141V98.4Very high97.3Very high5 Ų560.4 Ų60.43%0.0332%0.324CS..  trans-91.2106.6159.8-171.20000108.9R127 E128 M145 I147R127-V141 HydrophobicContact CB-CB 4.19Å; R127-V141 WeakPolarHBondContact CD-O 3.38Å; R127-V141 HydrophobicContact CG-CB 4.35Å; R127-V141 HydrophobicContact CG-CG1 4.21Å; R127-V141 PolarHBondContact NH1-O 2.89Å; E128-V141 PolarHBondContact O-N 2.97Å; V141-M145 HydrophobicContact CG1-CB 3.84Å; V141-I147 HydrophobicContact CG1-CG1 3.73Å
142S94.8Very high97.3Very high29 Ų2961.3 Ų61.320%0.20332%0.321CS..  trans-72.6167.1176.485.10000111.7T144 M145S142-T144 PolarHBondContact O-N 3.09Å; S142-T144 VanDerWaalsContact O-N 3.16Å; S142-T144 PolarHBondContact OG-OG1 3.47Å; S142-M145 PolarHBondContact N-SD 3.24Å; S142-M145 PolarHBondContact O-N 3.15Å; S142-M145 VanDerWaalsContact O-N 3.12Å; S142-M145 VanDerWaalsContact OG-CG 3.32Å; S142-M145 WeakPolarHBondContact OG-CG 3.46Å
143K94.8Very high97.3Very high107 Ų10758 Ų5847%0.46531%0.313SS..THydrogen-bonded Turntrans-60.8-27.8-175.6-169177.6-168.7167.80113.2G19G19-K143 PolarHBondContact O-NZ 3.22Å
144T93.9Very high97.3Very high136 Ų13657.8 Ų57.883%0.83431%0.312SS*.THydrogen-bonded Turntrans-94.1-5-177.955.20000113.2S142S142-T144 PolarHBondContact O-N 3.09Å; S142-T144 VanDerWaalsContact O-N 3.16Å; S142-T144 PolarHBondContact OG-OG1 3.47Å
145M96.6Very high97.3Very high59 Ų5957.8 Ų57.829%0.29132%0.319SS..SBendtrans-84.7144-179-73.9172.169.700111.9V141 S142 I147 T154V141-M145 HydrophobicContact CG1-CB 3.84Å; S142-M145 PolarHBondContact N-SD 3.24Å; S142-M145 PolarHBondContact O-N 3.15Å; S142-M145 VanDerWaalsContact O-N 3.12Å; S142-M145 VanDerWaalsContact OG-CG 3.32Å; S142-M145 WeakPolarHBondContact OG-CG 3.46Å; M145-I147 PolarHBondContact O-N 3.38Å; M145-T154 HydrophobicContact CE-CG2 3.71Å; M145-T154 WeakPolarHBondContact CE-OG1 3.21Å
146K97.4Very high97.2Very high181 Ų18157.3 Ų57.379%0.78732%0.316SS*.PPolyproline II helixtrans-70.1122.4167.2-178.5177.5178.7178.60109.5
147I98.2Very high96.7Very high20 Ų2059.7 Ų59.710%0.10333%0.331CS..PPolyproline II helixtrans-67.1132.4172.6-68.3159.4000110.1L115 D125 R127 V141 M145L115-I147 HydrophobicContact CD2-CG2 3.53Å; D125-I147 HydrophobicContact CB-CD1 3.5Å; D125-I147 VanDerWaalsContact CB-CD1 3.5Å; D125-I147 VanDerWaalsContact OD2-CD1 3.31Å; D125-I147 WeakPolarHBondContact OD2-CD1 3.36Å; R127-I147 HydrophobicContact CG-CD1 3.94Å; R127-I147 HydrophobicContact CG-CG1 4.31Å; V141-I147 HydrophobicContact CG1-CG1 3.73Å; M145-I147 PolarHBondContact O-N 3.38Å
148K98.1Very high96.4Very high130 Ų13063 Ų6357%0.56536%0.355SS*.  trans-116.1111.3170.1-65.1-179.3-177.3178.90107.5G150 Y151K148-G150 PolarHBondContact O-N 2.96Å; K148-Y151 HydrophobicContact CB-CD2 3.72Å; K148-Y151 HydrophobicContact CB-CG 4.15Å; K148-Y151 WeakPolarHBondContact O-CB 3.39Å; K148-Y151 PolarHBondContact O-N 3.2Å; K148-Y151 VanDerWaalsContact O-N 3.08Å
149P97.3Very high96.3Very high72 Ų7263.5 Ų63.547%0.46836%0.356SS..THydrogen-bonded Turntrans-54.8135.7179.8-2533.6000111.8P112 L115 Y151P112-P149 HydrophobicContact CB-CB 3.92Å; P112-P149 HydrophobicContact CG-CB 4.24Å; L115-P149 HydrophobicContact CD2-CB 4.21Å; L115-P149 HydrophobicContact CD2-CG 4.02Å; P149-Y151 VanDerWaalsContact C-N 3.32Å
150G94.8Very high96.3Very high53 Ų5365.8 Ų65.855%0.54637%0.368SS..THydrogen-bonded Turntrans81.14.2-176.200000115.1K148K148-G150 PolarHBondContact O-N 2.96Å
151Y97.6Very high96.4Very high159 Ų15966.3 Ų66.362%0.62437%0.372SS*.  trans-119.9129.5174.3-66.6-99.6000111.1K148 P149 G153K148-Y151 HydrophobicContact CB-CD2 3.72Å; K148-Y151 HydrophobicContact CB-CG 4.15Å; K148-Y151 WeakPolarHBondContact O-CB 3.39Å; K148-Y151 PolarHBondContact O-N 3.2Å; K148-Y151 VanDerWaalsContact O-N 3.08Å; P149-Y151 VanDerWaalsContact C-N 3.32Å; Y151-G153 PolarHBondContact O-N 2.89Å; Y151-G153 VanDerWaalsContact O-N 3.16Å
152M96.8Very high96.4Very high48 Ų4869.4 Ų69.424%0.23639%0.386CS..  trans-78.410.5178.366.5-166.9-172.800115.2E128 Y130 C139 M140 I179E128-M152 HydrophobicContact CG-CB 3.98Å; Y130-M152 WeakPolarHBondContact CB-SD 3.36Å; Y130-M152 HydrophobicContact CD1-CE 3.65Å; Y130-M152 HydrophobicContact CD1-SD 3.86Å; Y130-M152 HydrophobicContact CD2-CE 4.34Å; Y130-M152 HydrophobicContact CD2-SD 3.68Å; Y130-M152 HydrophobicContact CE1-CE 4.08Å; Y130-M152 HydrophobicContact CE2-SD 4.45Å; Y130-M152 HydrophobicContact CG-CE 3.79Å; Y130-M152 HydrophobicContact CG-SD 3.33Å; C139-M152 HydrophobicContact CB-CG 4.37Å; M140-M152 CarbonylContact C-O 3.48Å; M140-M152 WeakPolarHBondContact CA-O 3.2Å; M152-I179 HydrophobicContact CE-CD1 3.62Å
153G97.7Very high96.6Very high29 Ų2970.4 Ų70.430%0.29939%0.391SS..  trans91.5-148.8178.700000114.6M140 Y151M140-G153 WeakPolarHBondContact O-CA 3.32Å; Y151-G153 PolarHBondContact O-N 2.89Å; Y151-G153 VanDerWaalsContact O-N 3.16Å
154T98.4Very high96.8Very high79 Ų7967.5 Ų67.549%0.48538%0.38SS..EExtended strand (participates in β ladder)trans-121.6167.3-174.555.30000111.1C139 M140 M145 A156C139-T154 CarbonylContact C-O 3.6Å; C139-T154 WeakPolarHBondContact CA-O 3.45Å; C139-T154 WeakPolarHBondContact CB-O 3.47Å; M140-T154 PolarHBondContact N-O 3.3Å; M140-T154 PolarHBondContact O-N 2.94Å; M145-T154 HydrophobicContact CE-CG2 3.71Å; M145-T154 WeakPolarHBondContact CE-OG1 3.21Å; T154-A156 PolarHBondContact O-N 2.8Å
155A98.4Very high97Very high41 Ų4163 Ų6334%0.33935%0.351SS..EExtended strand (participates in β ladder)trans-48.7136.9178.300000112.9Y159 V161A155-Y159 WeakPolarHBondContact CB-O 3.37Å; A155-V161 HydrophobicContact CB-CB 3.94Å; A155-V161 HydrophobicContact CB-CG2 3.62Å
156A96.9Very high97Very high2 Ų267.1 Ų67.12%0.01737%0.374CS..PPolyproline II helixtrans-68.4160.2170.600000111.3L137 T138 M140 T154 C158 Y159L137-A156 HydrophobicContact CD2-CB 4.49Å; L137-A156 HydrophobicContact CG-CB 4.21Å; L137-A156 WeakPolarHBondContact O-CB 3.39Å; T138-A156 WeakPolarHBondContact O-CB 3.15Å; T138-A156 PolarHBondContact O-N 2.99Å; M140-A156 HydrophobicContact CE-CB 3.75Å; M140-A156 WeakPolarHBondContact SD-CA 3.45Å; M140-A156 HydrophobicContact SD-CB 3.57Å; M140-A156 VanDerWaalsContact SD-CB 3.57Å; T154-A156 PolarHBondContact O-N 2.8Å; A156-C158 PolarHBondContact O-N 2.92Å; A156-Y159 PolarHBondContact O-N 2.92Å; A156-Y159 VanDerWaalsContact O-N 3.08Å
157S86.9Confident97.1Very high62 Ų6266.3 Ų66.343%0.43437%0.37SS..THydrogen-bonded Turntrans-48.9133.4-179.2-61.30000111.9Y159S157-Y159 PolarHBondContact O-N 2.98Å
158C90.9Very high97Very high87 Ų8767.6 Ų67.659%0.58839%0.389SS*.THydrogen-bonded Turntrans67.24.5178.8-540000116.4M13 A156 P188M13-C158 HydrophobicContact CE-CB 4.23Å; M13-C158 WeakPolarHBondContact CE-SG 3.42Å; A156-C158 PolarHBondContact O-N 2.92Å; C158-P188 WeakPolarHBondContact O-CB 3.14Å
159Y98.4Very high97.1Very high13 Ų1365.6 Ų65.65%0.05139%0.385CS..  trans-98.1127.7169.8-71.3-6.5000111.2T135 L137 T138 A155 A156 S157 V161 I181 P188 I189 G190 I191T135-Y159 PolarHBondContact O-OH 3.46Å; L137-Y159 WeakPolarHBondContact O-CE2 3.37Å; T138-Y159 HydrophobicContact CG2-CD2 4.33Å; A155-Y159 WeakPolarHBondContact CB-O 3.37Å; A156-Y159 PolarHBondContact O-N 2.92Å; A156-Y159 VanDerWaalsContact O-N 3.08Å; S157-Y159 PolarHBondContact O-N 2.98Å; Y159-V161 PolarHBondContact O-N 2.83Å; Y159-I181 HydrophobicContact CD1-CG2 4.17Å; Y159-I181 HydrophobicContact CD2-CD1 3.81Å; Y159-I181 HydrophobicContact CD2-CG2 4.44Å; Y159-I181 HydrophobicContact CE2-CD1 3.86Å; Y159-I181 HydrophobicContact CG-CD1 4.41Å; Y159-I181 HydrophobicContact CG-CG2 4Å; Y159-P188 HydrophobicContact CD1-CB 3.74Å; Y159-P188 HydrophobicContact CD1-CG 3.73Å; Y159-P188 HydrophobicContact CE1-CB 3.86Å; Y159-P188 HydrophobicContact CE1-CG 3.8Å; Y159-I189 WeakPolarHBondContact CE1-O 3.42Å; Y159-G190 WeakPolarHBondContact OH-CA 3.37Å; Y159-G190 PolarHBondContact OH-O 3.25Å; Y159-I191 HydrophobicContact CE1-CD1 4.06Å; Y159-I191 HydrophobicContact CE1-CG1 4.16Å; Y159-I191 HydrophobicContact CE2-CD1 4.49Å; Y159-I191 PolarHBondContact OH-N 3.33Å
160D98.6Very high97.1Very high54 Ų5465.8 Ų65.829%0.28938%0.384SS..  trans-91.890.7163.5176.625.2000107.5Q162 I181 R182D160-Q162 WeakPolarHBondContact OD1-CG 3.32Å; D160-Q162 PolarHBondContact OD1-NE2 2.89Å; D160-I181 WeakPolarHBondContact O-CA 3.43Å; D160-R182 HydrophobicContact CB-CB 3.95Å; D160-R182 PolarHBondContact O-N 3.42Å; D160-R182 IonicContact OD2-CZ 3.37Å; D160-R182 IonicContact OD2-NE 2.57Å; D160-R182 PolarHBondContact OD2-NE 2.78Å; D160-R182 IonicContact OD2-NH2 3.08Å; D160-R182 PolarHBondContact OD2-NH2 3.31Å
161V98.8Very high97.3Very high27 Ų2765.2 Ų65.216%0.16437%0.368CS..EExtended strand (participates in β ladder)trans-92.3126.2179-171.90000108.8T138 A155 Y159 I179 G180 I181T138-V161 HydrophobicContact CG2-CG1 4.45Å; T138-V161 HydrophobicContact CG2-CG2 3.9Å; A155-V161 HydrophobicContact CB-CB 3.94Å; A155-V161 HydrophobicContact CB-CG2 3.62Å; Y159-V161 PolarHBondContact O-N 2.83Å; V161-I179 HydrophobicContact CG1-CG2 3.72Å; V161-G180 CarbonylContact C-O 3.56Å; V161-G180 WeakPolarHBondContact CA-O 3.46Å; V161-I181 HydrophobicContact CG2-CG1 4.29Å
162Q98.7Very high97.4Very high70 Ų7061.6 Ų61.633%0.32736%0.364SS..EExtended strand (participates in β ladder)trans-134.5160.8-176.3-63.6-63.1-21.700110.9D160 I164 V170 G180D160-Q162 WeakPolarHBondContact OD1-CG 3.32Å; D160-Q162 PolarHBondContact OD1-NE2 2.89Å; Q162-I164 HydrophobicContact CB-CG2 4.3Å; Q162-V170 HydrophobicContact CB-CG1 4.24Å; Q162-V170 HydrophobicContact CB-CG2 4.15Å; Q162-V170 HydrophobicContact CG-CG1 4.22Å; Q162-V170 HydrophobicContact CG-CG2 4.01Å; Q162-G180 PolarHBondContact N-O 3.3Å; Q162-G180 PolarHBondContact O-N 3.14Å
163V98.8Very high97.4Very high50 Ų5065.8 Ų65.830%0.30340%0.395SS..EExtended strand (participates in β ladder)trans-92.2128.7162.4-175.80000107.5L171 D178V163-L171 HydrophobicContact CG1-CB 4.43Å; V163-L171 HydrophobicContact CG1-CD1 4.16Å; V163-L171 PolarHBondContact O-N 3.38Å; V163-D178 CarbonylContact C-O 3.57Å; V163-D178 WeakPolarHBondContact CA-O 3.43Å
164I98.8Very high97.4Very high46 Ų4668.8 Ų68.824%0.23643%0.426CS..EExtended strand (participates in β ladder)trans-123.4156-176.663.7173.9000112.3Q162 N169 D178Q162-I164 HydrophobicContact CB-CG2 4.3Å; I164-N169 CarbonylContact C-O 3.47Å; I164-N169 WeakPolarHBondContact CA-O 3.47Å; I164-N169 WeakPolarHBondContact CB-O 3.17Å; I164-D178 HydrophobicContact CG1-CB 4.08Å; I164-D178 WeakPolarHBondContact CG1-O 3.07Å; I164-D178 PolarHBondContact N-O 3.06Å; I164-D178 PolarHBondContact O-N 3.39Å
165D98.6Very high97.4Very high41 Ų4168.1 Ų68.122%0.21942%0.422CS..  trans-85.1179.5170.571.39.8000112.7K167 G168 N169 L171D165-K167 PolarHBondContact O-N 3.29Å; D165-K167 VanDerWaalsContact O-N 3.1Å; D165-K167 VanDerWaalsContact OD1-C 3.3Å; D165-K167 WeakPolarHBondContact OD1-CA 3.35Å; D165-K167 WeakPolarHBondContact OD1-CB 3.45Å; D165-K167 PolarHBondContact OD1-N 3.5Å; D165-G168 PolarHBondContact O-N 3.04Å; D165-G168 PolarHBondContact OD1-N 3.5Å; D165-N169 PolarHBondContact N-O 3.29Å; D165-N169 PolarHBondContact OD1-N 3Å; D165-N169 PolarHBondContact OD1-ND2 2.79Å; D165-N169 WeakPolarHBondContact OD2-CB 3.43Å; D165-N169 PolarHBondContact OD2-ND2 2.94Å; D165-L171 HydrophobicContact CB-CD1 4.23Å; D165-L171 HydrophobicContact CB-CD2 4.13Å; D165-L171 HydrophobicContact CB-CG 4.22Å
166D98.1Very high97.4Very high145 Ų14575.1 Ų75.178%0.77545%0.448SS*.THydrogen-bonded Turntrans-63-12.6178.267.5-13.6000114.4
167K97.9Very high97.5Very high164 Ų16476.7 Ų76.771%0.71346%0.464SS*.THydrogen-bonded Turntrans-103.4-0.7176.9-68.3166.3-168.6175.30112.3D165 N169D165-K167 PolarHBondContact O-N 3.29Å; D165-K167 VanDerWaalsContact O-N 3.1Å; D165-K167 VanDerWaalsContact OD1-C 3.3Å; D165-K167 WeakPolarHBondContact OD1-CA 3.35Å; D165-K167 WeakPolarHBondContact OD1-CB 3.45Å; D165-K167 PolarHBondContact OD1-N 3.5Å; K167-N169 WeakPolarHBondContact CB-ND2 3.41Å
168G97.4Very high98.1Very high48 Ų4878.9 Ų78.950%0.49547%0.471SS..SBendtrans79.216.4-178.900000114.9D165D165-G168 PolarHBondContact O-N 3.04Å; D165-G168 PolarHBondContact OD1-N 3.5Å
169N98.6Very high98.4Very high88 Ų8878.8 Ų78.847%0.47146%0.463SS..PPolyproline II helixtrans-82.1144.1173.4-50.8-63.5000110.4I164 D165 K167 L171I164-N169 CarbonylContact C-O 3.47Å; I164-N169 WeakPolarHBondContact CA-O 3.47Å; I164-N169 WeakPolarHBondContact CB-O 3.17Å; D165-N169 PolarHBondContact N-O 3.29Å; D165-N169 PolarHBondContact OD1-N 3Å; D165-N169 PolarHBondContact OD1-ND2 2.79Å; D165-N169 WeakPolarHBondContact OD2-CB 3.43Å; D165-N169 PolarHBondContact OD2-ND2 2.94Å; K167-N169 WeakPolarHBondContact CB-ND2 3.41Å; N169-L171 PolarHBondContact O-N 3.18Å
170V98.8Very high98.4Very high75 Ų7579 Ų7946%0.45547%0.47SS..BIsolated β-bridgetrans-70.2130175.8178.30000110.2Q162Q162-V170 HydrophobicContact CB-CG1 4.24Å; Q162-V170 HydrophobicContact CB-CG2 4.15Å; Q162-V170 HydrophobicContact CG-CG1 4.22Å; Q162-V170 HydrophobicContact CG-CG2 4.01Å
171L98.8Very high98.4Very high41 Ų4178 Ų7822%0.21546%0.464CS..PPolyproline II helixtrans-91.6151.3177.5-70.6174.6000112.1V163 D165 N169 T175V163-L171 HydrophobicContact CG1-CB 4.43Å; V163-L171 HydrophobicContact CG1-CD1 4.16Å; V163-L171 PolarHBondContact O-N 3.38Å; D165-L171 HydrophobicContact CB-CD1 4.23Å; D165-L171 HydrophobicContact CB-CD2 4.13Å; D165-L171 HydrophobicContact CB-CG 4.22Å; N169-L171 PolarHBondContact O-N 3.18Å; L171-T175 HydrophobicContact CD1-CG2 4.15Å; L171-T175 HydrophobicContact CD2-CG2 4.4Å
172P98.5Very high98.4Very high83 Ų8382.8 Ų82.854%0.53948%0.48SS..PPolyproline II helixtrans-72.4157175.630.2-33.6000111.9G174 T175P172-G174 PolarHBondContact O-N 3.48Å; P172-T175 WeakPolarHBondContact O-CB 3.33Å; P172-T175 PolarHBondContact O-N 3.44Å; P172-T175 PolarHBondContact O-OG1 3.08Å; P172-T175 VanDerWaalsContact O-OG1 3.13Å
173P98.3Very high98.4Very high136 Ų13682.6 Ų82.688%0.88348%0.483SS*.THydrogen-bonded Turntrans-53.7139.6178.3-25.634.1000113.1
174G97.9Very high98.4Very high92 Ų9288 Ų8895%0.94850%0.502SS*.THydrogen-bonded Turntrans87.11.8179.900000114.8P172P172-G174 PolarHBondContact O-N 3.48Å
175T98.4Very high98.3Very high65 Ų6592 Ų9240%0.39953%0.532SS..  trans-100.5131.6173.2-44.20000109.6L171 P172L171-T175 HydrophobicContact CD1-CG2 4.15Å; L171-T175 HydrophobicContact CD2-CG2 4.4Å; P172-T175 WeakPolarHBondContact O-CB 3.33Å; P172-T175 PolarHBondContact O-N 3.44Å; P172-T175 PolarHBondContact O-OG1 3.08Å; P172-T175 VanDerWaalsContact O-OG1 3.13Å
176E98.5Very high98.3Very high189 Ų18996.6 Ų96.688%0.88356%0.555SS**  trans-73.6143.2174.7-171.6176.8167.400111
177G98.4Very high98.3Very high35 Ų3596.1 Ų96.136%0.36154%0.542SS..  trans-179.8-168.9179.500000110.9
178D98.6Very high98.3Very high108 Ų10889 Ų8958%0.57851%0.513SS*.EExtended strand (participates in β ladder)trans-85.3139.5-176.2-66.7-47.8000111.8V163 I164 G180V163-D178 CarbonylContact C-O 3.57Å; V163-D178 WeakPolarHBondContact CA-O 3.43Å; I164-D178 HydrophobicContact CG1-CB 4.08Å; I164-D178 WeakPolarHBondContact CG1-O 3.07Å; I164-D178 PolarHBondContact N-O 3.06Å; I164-D178 PolarHBondContact O-N 3.39Å; D178-G180 PolarHBondContact O-N 2.99Å
179I98.6Very high98.4Very high84 Ų8489.9 Ų89.943%0.43151%0.505SS..EExtended strand (participates in β ladder)trans-79.8119.5174.1-59.4177.3000108.9Y130 M152 V161Y130-I179 HydrophobicContact CE1-CG2 4.43Å; M152-I179 HydrophobicContact CE-CD1 3.62Å; V161-I179 HydrophobicContact CG1-CG2 3.72Å
180G98.4Very high98.3Very high19 Ų1985.8 Ų85.820%0.19648%0.484CS..EExtended strand (participates in β ladder)trans-126.4150.4179.700000112.9V161 Q162 D178V161-G180 CarbonylContact C-O 3.56Å; V161-G180 WeakPolarHBondContact CA-O 3.46Å; Q162-G180 PolarHBondContact N-O 3.3Å; Q162-G180 PolarHBondContact O-N 3.14Å; D178-G180 PolarHBondContact O-N 2.99Å
181I98.8Very high98.3Very high32 Ų3283 Ų8316%0.16447%0.466CS..EExtended strand (participates in β ladder)trans-109.3130.2170.2-50178000108.3T135 T138 Y159 D160 V161 V183 P188 I191T135-I181 HydrophobicContact CG2-CD1 3.68Å; T138-I181 HydrophobicContact CG2-CD1 3.64Å; T138-I181 HydrophobicContact CG2-CG1 4.11Å; Y159-I181 HydrophobicContact CD1-CG2 4.17Å; Y159-I181 HydrophobicContact CD2-CD1 3.81Å; Y159-I181 HydrophobicContact CD2-CG2 4.44Å; Y159-I181 HydrophobicContact CE2-CD1 3.86Å; Y159-I181 HydrophobicContact CG-CD1 4.41Å; Y159-I181 HydrophobicContact CG-CG2 4Å; D160-I181 WeakPolarHBondContact O-CA 3.43Å; V161-I181 HydrophobicContact CG2-CG1 4.29Å; I181-V183 PolarHBondContact O-N 2.9Å; I181-P188 HydrophobicContact CG2-CG 4.27Å; I181-I191 HydrophobicContact CD1-CD1 3.92Å; I181-I191 HydrophobicContact CG2-CD1 4.34Å
182R98.6Very high98.2Very high128 Ų12882.8 Ų82.848%0.48346%0.464SS..  trans-63.2123.5174.1-173.4179.7-58.6-75.9-8.6110.8D160 K184 P188D160-R182 HydrophobicContact CB-CB 3.95Å; D160-R182 PolarHBondContact O-N 3.42Å; D160-R182 IonicContact OD2-CZ 3.37Å; D160-R182 IonicContact OD2-NE 2.57Å; D160-R182 PolarHBondContact OD2-NE 2.78Å; D160-R182 IonicContact OD2-NH2 3.08Å; D160-R182 PolarHBondContact OD2-NH2 3.31Å; R182-K184 WeakPolarHBondContact CD-O 3.49Å; R182-K184 WeakPolarHBondContact CG-O 3.2Å; R182-P188 WeakPolarHBondContact O-CD 3.35Å
183V98.3Very high98.2Very high65 Ų6581.3 Ų81.339%0.39446%0.456SS..  trans-118.1-0.8176.6-63.20000114.2I181 I186 R187 I191I181-V183 PolarHBondContact O-N 2.9Å; V183-I186 CarbonylContact C-O 3.52Å; V183-I186 VanDerWaalsContact C-O 3.25Å; V183-I186 CarbonylContact O-C 3.36Å; V183-R187 WeakPolarHBondContact O-CA 3.41Å; V183-R187 PolarHBondContact O-N 3.11Å; V183-I191 HydrophobicContact CG1-CG1 4.43Å
184K97.9Very high98.1Very high163 Ų16375.8 Ų75.871%0.70942%0.423SS*.SBendtrans-133.2145.8178-71.3-179.2-177.8176.10110.7R182 I186R182-K184 WeakPolarHBondContact CD-O 3.49Å; R182-K184 WeakPolarHBondContact CG-O 3.2Å; K184-I186 VanDerWaalsContact C-N 3.28Å
185P97.8Very high98Very high132 Ų13279.2 Ų79.286%0.85741%0.409SS*.SBendcis-74.7-13.8-1.231-35000113.5
186I98Very high97.8Very high136 Ų13681.3 Ų81.370%0.69742%0.422SS*.SBendtrans-110.8128.3-179.3-59.5169000108.4V183 K184V183-I186 CarbonylContact C-O 3.52Å; V183-I186 VanDerWaalsContact C-O 3.25Å; V183-I186 CarbonylContact O-C 3.36Å; K184-I186 VanDerWaalsContact C-N 3.28Å
187R97.9Very high97.2Very high135 Ų13578.1 Ų78.151%0.50942%0.415SS..PPolyproline II helixtrans-85.1121.9172-174.2169.365.199.1-0.4109.2V183 I191 F192V183-R187 WeakPolarHBondContact O-CA 3.41Å; V183-R187 PolarHBondContact O-N 3.11Å; R187-I191 HydrophobicContact CG-CB 4.28Å; R187-I191 HydrophobicContact CG-CG2 4.46Å; R187-I191 PolarHBondContact NH1-O 2.98Å; R187-F192 PolarHBondContact NH1-O 3.08Å; R187-F192 VanDerWaalsContact NH1-O 3.08Å
188P98.3Very high95.4Very high16 Ų1681.3 Ų81.310%0.10443%0.431CS..PPolyproline II helixtrans-72.2153.2-177.427.5-31.6000111.9C158 Y159 I181 R182 G190 I191C158-P188 WeakPolarHBondContact O-CB 3.14Å; Y159-P188 HydrophobicContact CD1-CB 3.74Å; Y159-P188 HydrophobicContact CD1-CG 3.73Å; Y159-P188 HydrophobicContact CE1-CB 3.86Å; Y159-P188 HydrophobicContact CE1-CG 3.8Å; I181-P188 HydrophobicContact CG2-CG 4.27Å; R182-P188 WeakPolarHBondContact O-CD 3.35Å; P188-G190 PolarHBondContact O-N 3.22Å; P188-I191 HydrophobicContact CG-CG1 3.78Å
189I98.1Very high93.4Very high65 Ų6581.4 Ų81.433%0.33344%0.44SS..THydrogen-bonded Turntrans-64.1133.4171.6-65.6165000108.4L9 K10 M13 Y159L9-I189 HydrophobicContact CB-CG2 4.38Å; L9-I189 HydrophobicContact CD2-CD1 3.77Å; L9-I189 HydrophobicContact CD2-CG2 4.39Å; L9-I189 HydrophobicContact CG-CD1 4.42Å; L9-I189 HydrophobicContact CG-CG2 4.27Å; K10-I189 HydrophobicContact CB-CG2 4.07Å; K10-I189 WeakPolarHBondContact CD-O 3.48Å; M13-I189 HydrophobicContact CE-CD1 4.4Å; M13-I189 HydrophobicContact SD-CB 4.19Å; M13-I189 HydrophobicContact SD-CD1 3.81Å; M13-I189 HydrophobicContact SD-CG2 3.93Å; Y159-I189 WeakPolarHBondContact CE1-O 3.42Å
190G97.3Very high91.5Very high3 Ų386.9 Ų86.93%0.03148%0.481CS..THydrogen-bonded Turntrans116.9-29.5-178.700000113.6S6 Y159 P188 F192S6-G190 WeakPolarHBondContact O-CA 3.41Å; Y159-G190 WeakPolarHBondContact OH-CA 3.37Å; Y159-G190 PolarHBondContact OH-O 3.25Å; P188-G190 PolarHBondContact O-N 3.22Å; G190-F192 PolarHBondContact O-N 2.85Å
191I98.3Very high91.2Very high15 Ų1590.3 Ų90.38%0.07750%0.496CS..SBendtrans-69.2133.4175.8-56-63.7000109.4S6 T135 Y159 I181 V183 R187 P188S6-I191 WeakPolarHBondContact CB-O 3.48Å; T135-I191 HydrophobicContact CG2-CD1 4.02Å; Y159-I191 HydrophobicContact CE1-CD1 4.06Å; Y159-I191 HydrophobicContact CE1-CG1 4.16Å; Y159-I191 HydrophobicContact CE2-CD1 4.49Å; Y159-I191 PolarHBondContact OH-N 3.33Å; I181-I191 HydrophobicContact CD1-CD1 3.92Å; I181-I191 HydrophobicContact CG2-CD1 4.34Å; V183-I191 HydrophobicContact CG1-CG1 4.43Å; R187-I191 HydrophobicContact CG-CB 4.28Å; R187-I191 HydrophobicContact CG-CG2 4.46Å; R187-I191 PolarHBondContact NH1-O 2.98Å; P188-I191 HydrophobicContact CG-CG1 3.78Å
192F97.9Very high90.8Very high37 Ų3793.3 Ų93.316%0.16251%0.513CS..  trans-56.1166.6173.784.2-29.7000112.1E1 E134 R187 G190 G194 Y195E1-F192 WeakPolarHBondContact O-CB 3.44Å; E134-F192 HydrophobicContact CB-CD1 4.02Å; E134-F192 HydrophobicContact CB-CD2 4.04Å; E134-F192 HydrophobicContact CB-CE1 4.08Å; E134-F192 HydrophobicContact CB-CE2 4.08Å; E134-F192 HydrophobicContact CB-CG 4.03Å; E134-F192 HydrophobicContact CB-CZ 4.11Å; E134-F192 HydrophobicContact CG-CD1 4.48Å; E134-F192 HydrophobicContact CG-CD2 3.81Å; E134-F192 HydrophobicContact CG-CE1 4.24Å; E134-F192 HydrophobicContact CG-CE2 3.5Å; E134-F192 VanDerWaalsContact CG-CE2 3.5Å; E134-F192 HydrophobicContact CG-CG 4.31Å; E134-F192 HydrophobicContact CG-CZ 3.75Å; E134-F192 WeakPolarHBondContact O-CB 3.48Å; E134-F192 PolarHBondContact O-N 3.1Å; R187-F192 PolarHBondContact NH1-O 3.08Å; R187-F192 VanDerWaalsContact NH1-O 3.08Å; G190-F192 PolarHBondContact O-N 2.85Å; F192-G194 VanDerWaalsContact C-N 3.33Å; F192-Y195 AromaticContact CE2-CD1 3.84Å; F192-Y195 HydrophobicContact CE2-CD1 3.84Å; F192-Y195 HydrophobicContact CE2-CD2 4.4Å; F192-Y195 AromaticContact CE2-CE1 3.74Å; F192-Y195 HydrophobicContact CE2-CE1 3.74Å; F192-Y195 HydrophobicContact CE2-CE2 4.33Å; F192-Y195 HydrophobicContact CE2-CG 4.16Å; F192-Y195 HydrophobicContact CZ-CD1 4.42Å; F192-Y195 HydrophobicContact CZ-CD2 4.22Å; F192-Y195 HydrophobicContact CZ-CE1 4.17Å; F192-Y195 AromaticContact CZ-CE2 3.97Å; F192-Y195 HydrophobicContact CZ-CE2 3.97Å; F192-Y195 HydrophobicContact CZ-CG 4.43Å; F192-Y195 AromaticContact CZ-CZ 3.94Å
193S97.3Very high90.3Very high53 Ų5391.4 Ų91.437%0.37152%0.515SS..  trans-82.3-12.2-178.9-51.40000113.5E1E1-S193 PolarHBondContact O-N 2.85Å
194G95.9Very high89.8Confident20 Ų2092.9 Ų92.921%0.20652%0.522CS..  trans128.7174-174.100000112.2E1 F192E1-G194 PolarHBondContact N-O 2.64Å; F192-G194 VanDerWaalsContact C-N 3.33Å
195Y96.7Very high89.3Confident163 Ų16388.6 Ų88.664%0.63951%0.51SS*.  trans-75.3139.2174.3-61.3-68.7000110.6E134 F192 V197E134-Y195 HydrophobicContact CG-CE1 4.12Å; E134-Y195 PolarHBondContact OE1-OH 3.27Å; F192-Y195 AromaticContact CE2-CD1 3.84Å; F192-Y195 HydrophobicContact CE2-CD1 3.84Å; F192-Y195 HydrophobicContact CE2-CD2 4.4Å; F192-Y195 AromaticContact CE2-CE1 3.74Å; F192-Y195 HydrophobicContact CE2-CE1 3.74Å; F192-Y195 HydrophobicContact CE2-CE2 4.33Å; F192-Y195 HydrophobicContact CE2-CG 4.16Å; F192-Y195 HydrophobicContact CZ-CD1 4.42Å; F192-Y195 HydrophobicContact CZ-CD2 4.22Å; F192-Y195 HydrophobicContact CZ-CE1 4.17Å; F192-Y195 AromaticContact CZ-CE2 3.97Å; F192-Y195 HydrophobicContact CZ-CE2 3.97Å; F192-Y195 HydrophobicContact CZ-CG 4.43Å; F192-Y195 AromaticContact CZ-CZ 3.94Å; Y195-V197 PolarHBondContact O-N 3.2Å
196V94.4Very high88.8Confident110 Ų11085.7 Ų85.767%0.66749%0.487SS*.  trans-73.4112.4175.1-1790000107.1E1E1-V196 HydrophobicContact CB-CG2 3.72Å; E1-V196 HydrophobicContact CG-CG2 4.36Å
197V86.3Confident88.1Confident122 Ų12282.1 Ų82.174%0.73947%0.472SS*.  trans-93.5112.5171.3-165.40000106.6Y195 S199Y195-V197 PolarHBondContact O-N 3.2Å; V197-S199 PolarHBondContact O-N 3.24Å
198S60.7Low87.4Confident102 Ų10278 Ų7871%0.71347%0.469SS*.  trans-71.3108.3161.751.70000106.9
199S56.6Low86.5Confident109 Ų10983.2 Ų83.276%0.76250%0.499SS*.  trans-56.6130.3164.5-60.20000108.1V197V197-S199 PolarHBondContact O-N 3.24Å
200P58.2Low85.4Confident199 Ų19984.8 Ų84.8100%1.29252%0.515SS*.  trans-630173.926.2-32.4000112.2

Retrieved 200 of 200 residues in 160.3 ms (Link to these results)

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