A0A077ZDS3_TRITR Loading...

SBP bac 7 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDS3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 254 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
1M92.7Very high97.3Very high159 Ų15966.8 Ų66.878%0.78340%0.396SS*.  0-40.20-63.9-178.9-66.100110.4S3 G4 V5 I10 E13M1-S3 PolarHBondContact O-N 2.98Å; M1-G4 VanDerWaalsContact O-CA 3.31Å; M1-G4 WeakPolarHBondContact O-CA 3.4Å; M1-G4 PolarHBondContact O-N 3.34Å; M1-V5 PolarHBondContact O-N 3.26Å; M1-V5 VanDerWaalsContact O-N 3.09Å; M1-I10 HydrophobicContact CB-CD1 4.28Å; M1-I10 HydrophobicContact CG-CD1 4.43Å; M1-E13 WeakPolarHBondContact CA-OE2 3.38Å; M1-E13 WeakPolarHBondContact CB-OE2 3.41Å
2I96.7Very high97.4Very high24 Ų2468.8 Ų68.812%0.12340%0.401CS..Hα-helixtrans-41.5-46.9172.3-59.2173.4000113.5G4 V5 R6 E13 N19 F20 L23 L63I2-G4 VanDerWaalsContact C-N 3.31Å; I2-G4 PolarHBondContact O-N 2.68Å; I2-V5 PolarHBondContact O-N 3.41Å; I2-R6 HydrophobicContact CG2-CG 4.41Å; I2-R6 WeakPolarHBondContact O-CG 3.48Å; I2-R6 PolarHBondContact O-N 3.27Å; I2-E13 WeakPolarHBondContact CG1-OE1 3.43Å; I2-E13 VanDerWaalsContact N-CD 3.3Å; I2-E13 PolarHBondContact N-OE1 3.44Å; I2-E13 PolarHBondContact N-OE2 3.11Å; I2-N19 HydrophobicContact CD1-CB 3.76Å; I2-N19 WeakPolarHBondContact CD1-O 3.26Å; I2-F20 HydrophobicContact CD1-CD1 3.99Å; I2-F20 HydrophobicContact CD1-CD2 4.45Å; I2-F20 HydrophobicContact CD1-CE1 3.83Å; I2-F20 HydrophobicContact CD1-CE2 4.33Å; I2-F20 HydrophobicContact CD1-CG 4.3Å; I2-F20 HydrophobicContact CD1-CZ 4.02Å; I2-F20 HydrophobicContact CG1-CE1 4.01Å; I2-F20 HydrophobicContact CG1-CZ 4.2Å; I2-F20 HydrophobicContact CG2-CD1 4.41Å; I2-F20 HydrophobicContact CG2-CE1 4.15Å; I2-L23 HydrophobicContact CG2-CD1 3.69Å; I2-L63 HydrophobicContact CG2-CD1 4.01Å
3S96.7Very high97.4Very high89 Ų8965.1 Ų65.162%0.62238%0.377SS*.Hα-helixtrans-61.4-36.2177.651.10000113.5M1 R6 G7M1-S3 PolarHBondContact O-N 2.98Å; S3-R6 PolarHBondContact O-N 3.34Å; S3-G7 PolarHBondContact O-N 3.15Å
4G98Very high97.4Very high10 Ų1066 Ų6610%0.10338%0.378CS..Hα-helixtrans-68-38.9173.500000112.5M1 I2 G7 G8 T9 I10M1-G4 VanDerWaalsContact O-CA 3.31Å; M1-G4 WeakPolarHBondContact O-CA 3.4Å; M1-G4 PolarHBondContact O-N 3.34Å; I2-G4 VanDerWaalsContact C-N 3.31Å; I2-G4 PolarHBondContact O-N 2.68Å; G4-G7 CarbonylContact O-C 3.57Å; G4-G7 PolarHBondContact O-N 3.13Å; G4-G8 PolarHBondContact O-N 3.32Å; G4-T9 WeakPolarHBondContact CA-OG1 3.23Å; G4-T9 PolarHBondContact O-N 2.86Å; G4-T9 PolarHBondContact O-OG1 3.25Å; G4-I10 PolarHBondContact O-N 2.79Å
5V98.7Very high97.2Very high0 Ų062.9 Ų62.90%036%0.362CS..Hα-helixtrans-63.4-46.4172.2-179.50000111.1M1 I2 G7 G8 I10 E13 L63 V165 N167M1-V5 PolarHBondContact O-N 3.26Å; M1-V5 VanDerWaalsContact O-N 3.09Å; I2-V5 PolarHBondContact O-N 3.41Å; V5-G7 VanDerWaalsContact C-N 3.33Å; V5-G7 PolarHBondContact O-N 3.19Å; V5-G8 PolarHBondContact O-N 2.9Å; V5-G8 VanDerWaalsContact O-N 3.12Å; V5-I10 VanDerWaalsContact CA-O 3.32Å; V5-I10 WeakPolarHBondContact CA-O 3.34Å; V5-I10 HydrophobicContact CG2-CB 4.01Å; V5-I10 HydrophobicContact CG2-CG2 3.82Å; V5-E13 HydrophobicContact CG2-CB 3.86Å; V5-E13 HydrophobicContact CG2-CG 3.77Å; V5-L63 HydrophobicContact CB-CD2 4.12Å; V5-L63 HydrophobicContact CG1-CD2 3.65Å; V5-V165 HydrophobicContact CG1-CG2 4.33Å; V5-N167 HydrophobicContact CG1-CB 4.39Å; V5-N167 VanDerWaalsContact CG1-N 3.33Å; V5-N167 VanDerWaalsContact O-CB 3.23Å; V5-N167 WeakPolarHBondContact O-CB 3.39Å; V5-N167 PolarHBondContact O-ND2 2.91Å
6R98.1Very high97Very high100 Ų10059.4 Ų59.438%0.37734%0.343SS..Hα-helixtrans-60.3-41.8175.4-68.9174.366.3-144.8-5.7112.7I2 S3 G8 K61 L63 N167I2-R6 HydrophobicContact CG2-CG 4.41Å; I2-R6 WeakPolarHBondContact O-CG 3.48Å; I2-R6 PolarHBondContact O-N 3.27Å; S3-R6 PolarHBondContact O-N 3.34Å; R6-G8 VanDerWaalsContact C-N 3.26Å; R6-G8 PolarHBondContact O-N 3.39Å; R6-K61 WeakPolarHBondContact CG-O 3.29Å; R6-K61 PolarHBondContact NE-O 2.89Å; R6-L63 HydrophobicContact CG-CD1 4.02Å; R6-L63 HydrophobicContact CG-CD2 3.67Å; R6-L63 HydrophobicContact CG-CG 3.67Å; R6-N167 PolarHBondContact O-ND2 3.41Å; R6-N167 VanDerWaalsContact O-ND2 3.09Å
7G97.6Very high96.9Very high60 Ų6055.9 Ų55.962%0.61932%0.323SS*.Hα-helixtrans-75.2-11.7177.700000114.2S3 G4 V5 T9S3-G7 PolarHBondContact O-N 3.15Å; G4-G7 CarbonylContact O-C 3.57Å; G4-G7 PolarHBondContact O-N 3.13Å; V5-G7 VanDerWaalsContact C-N 3.33Å; V5-G7 PolarHBondContact O-N 3.19Å; G7-T9 VanDerWaalsContact C-N 3.29Å; G7-T9 PolarHBondContact O-N 2.84Å
8G97.7Very high96.6Very high17 Ų1754.3 Ų54.318%0.17531%0.313CS..THydrogen-bonded Turntrans76.410.9-179.200000114.7G4 V5 R6 N167 K170G4-G8 PolarHBondContact O-N 3.32Å; V5-G8 PolarHBondContact O-N 2.9Å; V5-G8 VanDerWaalsContact O-N 3.12Å; R6-G8 VanDerWaalsContact C-N 3.26Å; R6-G8 PolarHBondContact O-N 3.39Å; G8-N167 PolarHBondContact N-ND2 2.81Å; G8-K170 WeakPolarHBondContact O-CE 3.4Å; G8-K170 PolarHBondContact O-NZ 3.07Å
9T98.1Very high96.4Very high123 Ų12355.9 Ų55.976%0.75532%0.32SS*.SBendtrans-80.2-22172.556.90000112.4G4 G7G4-T9 WeakPolarHBondContact CA-OG1 3.23Å; G4-T9 PolarHBondContact O-N 2.86Å; G4-T9 PolarHBondContact O-OG1 3.25Å; G7-T9 VanDerWaalsContact C-N 3.29Å; G7-T9 PolarHBondContact O-N 2.84Å
10I97.7Very high96.4Very high66 Ų6653.1 Ų53.134%0.33830%0.304SS..SBendtrans-119140.4164.9-60.7172.6000106.1M1 G4 V5 M12M1-I10 HydrophobicContact CB-CD1 4.28Å; M1-I10 HydrophobicContact CG-CD1 4.43Å; G4-I10 PolarHBondContact O-N 2.79Å; V5-I10 VanDerWaalsContact CA-O 3.32Å; V5-I10 WeakPolarHBondContact CA-O 3.34Å; V5-I10 HydrophobicContact CG2-CB 4.01Å; V5-I10 HydrophobicContact CG2-CG2 3.82Å; I10-M12 VanDerWaalsContact CG2-O 3.26Å; I10-M12 WeakPolarHBondContact CG2-O 3.49Å
11D98.1Very high96.2Very high87 Ų8751.2 Ų51.247%0.46530%0.295SS..SBendtrans-78.7-47.9-179.1-67.4-27.3000111.9I166 N167 K170D11-I166 CarbonylContact O-C 3.59Å; D11-I166 WeakPolarHBondContact O-CA 3.38Å; D11-I166 WeakPolarHBondContact O-CG1 3.24Å; D11-N167 PolarHBondContact O-N 3.31Å; D11-K170 WeakPolarHBondContact OD1-CD 3.34Å; D11-K170 WeakPolarHBondContact OD1-CE 3.42Å; D11-K170 IonicContact OD1-NZ 3.33Å; D11-K170 PolarHBondContact OD1-NZ 2.99Å
12M98.4Very high96.2Very high91 Ų9147.5 Ų47.545%0.44830%0.298SS..EExtended strand (participates in β ladder)trans-141.7152.8-173.1-61.5-172-67.200111.5I10 L66 V165 I166I10-M12 VanDerWaalsContact CG2-O 3.26Å; I10-M12 WeakPolarHBondContact CG2-O 3.49Å; M12-L66 HydrophobicContact SD-CD1 4.1Å; M12-V165 CarbonylContact C-O 3.57Å; M12-V165 WeakPolarHBondContact CA-O 3.17Å; M12-V165 WeakPolarHBondContact CB-O 3.31Å; M12-I166 HydrophobicContact CG-CB 3.68Å; M12-I166 HydrophobicContact CG-CD1 3.95Å; M12-I166 HydrophobicContact CG-CG1 3.61Å; M12-I166 HydrophobicContact SD-CB 4.26Å; M12-I166 HydrophobicContact SD-CD1 4.03Å; M12-I166 HydrophobicContact SD-CG1 4.28Å
13E98.1Very high96.2Very high20 Ų2048.3 Ų48.39%0.09330%0.302CS..EExtended strand (participates in β ladder)trans-148.8172.7166.178.4170-143.900111.6M1 I2 V5 V165M1-E13 WeakPolarHBondContact CA-OE2 3.38Å; M1-E13 WeakPolarHBondContact CB-OE2 3.41Å; I2-E13 WeakPolarHBondContact CG1-OE1 3.43Å; I2-E13 VanDerWaalsContact N-CD 3.3Å; I2-E13 PolarHBondContact N-OE1 3.44Å; I2-E13 PolarHBondContact N-OE2 3.11Å; V5-E13 HydrophobicContact CG2-CB 3.86Å; V5-E13 HydrophobicContact CG2-CG 3.77Å; E13-V165 HydrophobicContact CG-CG2 3.58Å; E13-V165 PolarHBondContact N-O 3.09Å; E13-V165 PolarHBondContact O-N 3.25Å
14M96.8Very high96.2Very high78 Ų7844.6 Ų44.638%0.38428%0.276SS..EExtended strand (participates in β ladder)trans-123.4135.3165.6179.4174.560.500109.8W69 L162 L163 V164M14-W69 HydrophobicContact CE-CE3 3.95Å; M14-W69 HydrophobicContact CE-CZ3 4.17Å; M14-W69 HydrophobicContact SD-CB 4.05Å; M14-W69 HydrophobicContact SD-CD2 3.85Å; M14-W69 HydrophobicContact SD-CE3 3.27Å; M14-W69 HydrophobicContact SD-CG 4.21Å; M14-W69 HydrophobicContact SD-CZ3 3.93Å; M14-L162 HydrophobicContact CE-CD1 3.76Å; M14-L162 HydrophobicContact CG-CB 3.64Å; M14-L162 HydrophobicContact CG-CD1 4.17Å; M14-L162 HydrophobicContact CG-CD2 4.34Å; M14-L162 HydrophobicContact CG-CG 4.24Å; M14-L162 HydrophobicContact SD-CB 3.65Å; M14-L162 HydrophobicContact SD-CD1 3.51Å; M14-L162 VanDerWaalsContact SD-CD1 3.51Å; M14-L162 HydrophobicContact SD-CG 4.1Å; M14-L163 VanDerWaalsContact CA-O 3.3Å; M14-L163 WeakPolarHBondContact CA-O 3.49Å; M14-V164 HydrophobicContact CB-CG2 4.32Å; M14-V164 HydrophobicContact CG-CG2 4.15Å; M14-V164 HydrophobicContact SD-CG2 4.09Å
15S95Very high96Very high20 Ų2047.2 Ų47.214%0.1429%0.291CS..EExtended strand (participates in β ladder)trans-148.6157177-154.20000112.2N19 L162 L163S15-N19 PolarHBondContact OG-ND2 3.46Å; S15-L162 CarbonylContact O-C 3.57Å; S15-L162 WeakPolarHBondContact O-CA 3.38Å; S15-L163 PolarHBondContact N-O 2.82Å; S15-L163 VanDerWaalsContact N-O 3.14Å; S15-L163 PolarHBondContact O-N 3.03Å
16G94.2Very high95.9Very high6 Ų647.8 Ų47.86%0.06230%0.295CS..EExtended strand (participates in β ladder)trans-62143.1173.500000112.1N18 N19 F20G16-N18 PolarHBondContact O-N 2.95Å; G16-N18 VanDerWaalsContact O-N 3.16Å; G16-N19 WeakPolarHBondContact O-CB 3.41Å; G16-N19 PolarHBondContact O-N 3.18Å; G16-F20 WeakPolarHBondContact O-CD2 3.39Å
17S94.8Very high95.9Very high0 Ų043 Ų430%028%0.277CS..G310 helixtrans-49.2-40.2180510000114.1N19 F20 P161S17-N19 PolarHBondContact O-N 2.91Å; S17-N19 VanDerWaalsContact O-N 3.09Å; S17-F20 WeakPolarHBondContact O-CB 3.46Å; S17-F20 PolarHBondContact O-N 2.9Å; S17-P161 PolarHBondContact N-O 3.02Å; S17-P161 VanDerWaalsContact N-O 3.07Å
18N91.3Very high95.8Very high27 Ų2741 Ų4114%0.14425%0.252CS..G310 helixtrans-57.1-27.1-179.172.9-78.1000113G16 F20 A21 D31 N97G16-N18 PolarHBondContact O-N 2.95Å; G16-N18 VanDerWaalsContact O-N 3.16Å; N18-F20 VanDerWaalsContact C-N 3.25Å; N18-F20 PolarHBondContact O-N 2.82Å; N18-A21 PolarHBondContact O-N 2.95Å; N18-D31 WeakPolarHBondContact CA-OD2 3.34Å; N18-D31 WeakPolarHBondContact CB-OD2 3.45Å; N18-N97 VanDerWaalsContact CG-ND2 3.34Å; N18-N97 PolarHBondContact ND2-ND2 3.1Å
19N93.1Very high95.8Very high85 Ų8540.1 Ų40.146%0.45524%0.243SC..G310 helixtrans-76.7-12.5179.8-63.4-33.7000112.9I2 S15 G16 S17I2-N19 HydrophobicContact CD1-CB 3.76Å; I2-N19 WeakPolarHBondContact CD1-O 3.26Å; S15-N19 PolarHBondContact OG-ND2 3.46Å; G16-N19 WeakPolarHBondContact O-CB 3.41Å; G16-N19 PolarHBondContact O-N 3.18Å; S17-N19 PolarHBondContact O-N 2.91Å; S17-N19 VanDerWaalsContact O-N 3.09Å
20F95.6Very high95.7Very high0 Ų034.3 Ų34.30%021%0.208CC..G310 helixtrans-94-11.6177.1-61.3-88.4000113.2I2 G16 S17 N18 G22 L23 S24 M27 L58 L63 L163 V165I2-F20 HydrophobicContact CD1-CD1 3.99Å; I2-F20 HydrophobicContact CD1-CD2 4.45Å; I2-F20 HydrophobicContact CD1-CE1 3.83Å; I2-F20 HydrophobicContact CD1-CE2 4.33Å; I2-F20 HydrophobicContact CD1-CG 4.3Å; I2-F20 HydrophobicContact CD1-CZ 4.02Å; I2-F20 HydrophobicContact CG1-CE1 4.01Å; I2-F20 HydrophobicContact CG1-CZ 4.2Å; I2-F20 HydrophobicContact CG2-CD1 4.41Å; I2-F20 HydrophobicContact CG2-CE1 4.15Å; G16-F20 WeakPolarHBondContact O-CD2 3.39Å; S17-F20 WeakPolarHBondContact O-CB 3.46Å; S17-F20 PolarHBondContact O-N 2.9Å; N18-F20 VanDerWaalsContact C-N 3.25Å; N18-F20 PolarHBondContact O-N 2.82Å; F20-G22 VanDerWaalsContact C-N 3.26Å; F20-G22 PolarHBondContact O-N 2.98Å; F20-L23 WeakPolarHBondContact O-CB 3.49Å; F20-L23 PolarHBondContact O-N 3.26Å; F20-S24 PolarHBondContact O-N 2.92Å; F20-M27 HydrophobicContact CB-CG 4.08Å; F20-L58 HydrophobicContact CB-CD1 4.26Å; F20-L58 HydrophobicContact CB-CD2 4.13Å; F20-L58 HydrophobicContact CD1-CD1 3.93Å; F20-L58 HydrophobicContact CD1-CD2 4.29Å; F20-L58 HydrophobicContact CG-CD1 4.16Å; F20-L63 HydrophobicContact CD1-CD1 4.01Å; F20-L63 HydrophobicContact CE1-CD1 3.93Å; F20-L163 HydrophobicContact CD2-CB 4.46Å; F20-L163 HydrophobicContact CD2-CD2 4.01Å; F20-L163 HydrophobicContact CE2-CB 3.77Å; F20-L163 HydrophobicContact CE2-CD2 4.1Å; F20-L163 HydrophobicContact CE2-CG 4.37Å; F20-L163 HydrophobicContact CG-CD2 4.34Å; F20-L163 HydrophobicContact CZ-CB 4.06Å; F20-V165 HydrophobicContact CE1-CG1 3.91Å; F20-V165 HydrophobicContact CE1-CG2 4.24Å; F20-V165 HydrophobicContact CZ-CG1 3.87Å; F20-V165 HydrophobicContact CZ-CG2 4.17Å
21A93.4Very high95.6Very high13 Ų1331.2 Ų31.211%0.10719%0.192CC..THydrogen-bonded Turntrans-59-33.1-177.600000113.9N18 L23 S24 P25 M27 N28N18-A21 PolarHBondContact O-N 2.95Å; A21-L23 PolarHBondContact O-N 3.16Å; A21-S24 CarbonylContact O-C 3.54Å; A21-S24 VanDerWaalsContact O-C 3.28Å; A21-P25 WeakPolarHBondContact O-CA 3.34Å; A21-M27 HydrophobicContact CB-CB 4.47Å; A21-N28 VanDerWaalsContact CB-OD1 3.26Å; A21-N28 WeakPolarHBondContact CB-OD1 3.41Å
22G92.8Very high95.6Very high82 Ų8227.2 Ų27.285%0.84517%0.17SC*.THydrogen-bonded Turntrans-68.1-19.5174.300000114.3F20F20-G22 VanDerWaalsContact C-N 3.26Å; F20-G22 PolarHBondContact O-N 2.98Å
23L95.8Very high95.5Very high41 Ų4123.2 Ų23.222%0.21515%0.151CC..THydrogen-bonded Turntrans-95.1-36.7176.1-60179.9000112.3I2 F20 A21 L58 K61 L63I2-L23 HydrophobicContact CG2-CD1 3.69Å; F20-L23 WeakPolarHBondContact O-CB 3.49Å; F20-L23 PolarHBondContact O-N 3.26Å; A21-L23 PolarHBondContact O-N 3.16Å; L23-L58 HydrophobicContact CB-CD2 4.45Å; L23-K61 HydrophobicContact CB-CG 4.41Å; L23-K61 VanDerWaalsContact O-CE 3.31Å; L23-K61 WeakPolarHBondContact O-CE 3.39Å; L23-L63 HydrophobicContact CD1-CD1 4.02Å
24S96.1Very high95.5Very high10 Ų1023.5 Ų23.57%0.0715%0.152CC..  trans-139.197.2-179.5-173.50000108.6F20 A21 V26 M27 S57F20-S24 PolarHBondContact O-N 2.92Å; A21-S24 CarbonylContact O-C 3.54Å; A21-S24 VanDerWaalsContact O-C 3.28Å; S24-V26 PolarHBondContact O-N 3.22Å; S24-V26 WeakPolarHBondContact OG-CG1 3.45Å; S24-M27 VanDerWaalsContact O-CB 3.29Å; S24-M27 WeakPolarHBondContact O-CB 3.2Å; S24-M27 WeakPolarHBondContact O-CG 3.19Å; S24-M27 PolarHBondContact O-N 3.36Å; S24-S57 VanDerWaalsContact OG-CB 3.24Å; S24-S57 WeakPolarHBondContact OG-CB 3.49Å; S24-S57 PolarHBondContact OG-OG 3.07Å
25P95.7Very high95.5Very high65 Ų6520 Ų2042%0.42214%0.135SC..G310 helixtrans-56.6-24.7-175.7-29.936.6000114.6A21 M27 N28 V240A21-P25 WeakPolarHBondContact O-CA 3.34Å; P25-M27 PolarHBondContact O-N 3.45Å; P25-N28 VanDerWaalsContact O-CB 3.27Å; P25-N28 WeakPolarHBondContact O-CB 3.39Å; P25-N28 PolarHBondContact O-N 3.49Å; P25-N28 PolarHBondContact O-ND2 3.43Å; P25-V240 HydrophobicContact CB-CG2 4.04Å
26V96.4Very high95.6Very high12 Ų1219.3 Ų19.37%0.07313%0.129CC..G310 helixtrans-63.8-20.3175.674.10000113.4S24 N28 L29 L54 V240 L246S24-V26 PolarHBondContact O-N 3.22Å; S24-V26 WeakPolarHBondContact OG-CG1 3.45Å; V26-N28 PolarHBondContact O-N 2.93Å; V26-L29 WeakPolarHBondContact O-CB 3.22Å; V26-L29 PolarHBondContact O-N 2.95Å; V26-L54 HydrophobicContact CG1-CD2 4.1Å; V26-L54 HydrophobicContact CG2-CD2 4.21Å; V26-V240 HydrophobicContact CB-CG1 4.1Å; V26-V240 HydrophobicContact CG2-CG1 4.33Å; V26-L246 HydrophobicContact CG2-CD1 3.43Å; V26-L246 VanDerWaalsContact CG2-CD1 3.43Å
27M96.7Very high95.7Very high0 Ų024.6 Ų24.60%015%0.147CC..G310 helixtrans-63-21.3171.5-65.7-61.2-59.900113.1F20 A21 S24 P25 L29 L30 L54 L58 L163F20-M27 HydrophobicContact CB-CG 4.08Å; A21-M27 HydrophobicContact CB-CB 4.47Å; S24-M27 VanDerWaalsContact O-CB 3.29Å; S24-M27 WeakPolarHBondContact O-CB 3.2Å; S24-M27 WeakPolarHBondContact O-CG 3.19Å; S24-M27 PolarHBondContact O-N 3.36Å; P25-M27 PolarHBondContact O-N 3.45Å; M27-L29 PolarHBondContact O-N 3.34Å; M27-L29 VanDerWaalsContact O-N 3.11Å; M27-L30 HydrophobicContact CE-CD1 3.86Å; M27-L30 PolarHBondContact O-N 3.07Å; M27-L30 VanDerWaalsContact O-N 3.17Å; M27-L54 HydrophobicContact SD-CB 4.1Å; M27-L54 HydrophobicContact SD-CD2 4.07Å; M27-L58 HydrophobicContact SD-CD1 4.31Å; M27-L163 HydrophobicContact CE-CD1 4.12Å; M27-L163 HydrophobicContact CE-CD2 3.61Å
28N96Very high95.8Very high17 Ų1728.3 Ų28.39%0.09117%0.167CC..G310 helixtrans-60.1-17.8172-72.8-52.1000112.6A21 P25 V26 L30 D31 V32 M101 F236A21-N28 VanDerWaalsContact CB-OD1 3.26Å; A21-N28 WeakPolarHBondContact CB-OD1 3.41Å; P25-N28 VanDerWaalsContact O-CB 3.27Å; P25-N28 WeakPolarHBondContact O-CB 3.39Å; P25-N28 PolarHBondContact O-N 3.49Å; P25-N28 PolarHBondContact O-ND2 3.43Å; V26-N28 PolarHBondContact O-N 2.93Å; N28-L30 PolarHBondContact O-N 3.29Å; N28-D31 PolarHBondContact O-N 2.96Å; N28-V32 PolarHBondContact O-N 2.92Å; N28-M101 HydrophobicContact CB-CG 4.33Å; N28-F236 HydrophobicContact CB-CD2 4.11Å; N28-F236 HydrophobicContact CB-CE2 4.15Å
29L97.6Very high96Very high0 Ų029.6 Ų29.60%018%0.176CC..G310 helixtrans-49.5-48.2172.3175.260.4000110.5V26 M27 D31 V32 L35 V50 L54 F236 L246 L247 V250V26-L29 WeakPolarHBondContact O-CB 3.22Å; V26-L29 PolarHBondContact O-N 2.95Å; M27-L29 PolarHBondContact O-N 3.34Å; M27-L29 VanDerWaalsContact O-N 3.11Å; L29-D31 PolarHBondContact O-N 3.45Å; L29-V32 WeakPolarHBondContact O-CB 3.45Å; L29-V32 VanDerWaalsContact O-CG2 3.32Å; L29-V32 WeakPolarHBondContact O-CG2 3.42Å; L29-V32 PolarHBondContact O-N 3.09Å; L29-V32 VanDerWaalsContact O-N 3.09Å; L29-L35 HydrophobicContact CD1-CD1 4.15Å; L29-L35 HydrophobicContact CD1-CD2 4.35Å; L29-L35 HydrophobicContact CG-CD2 4.3Å; L29-L35 VanDerWaalsContact O-CD2 3.31Å; L29-L35 WeakPolarHBondContact O-CD2 3.45Å; L29-V50 HydrophobicContact CD2-CG1 4.18Å; L29-L54 HydrophobicContact CD2-CD1 4.44Å; L29-L54 HydrophobicContact CD2-CD2 4.45Å; L29-F236 HydrophobicContact CB-CE1 4.24Å; L29-F236 HydrophobicContact CB-CE2 3.91Å; L29-F236 HydrophobicContact CB-CZ 3.58Å; L29-F236 HydrophobicContact CD1-CD1 4.39Å; L29-F236 HydrophobicContact CD1-CE1 3.75Å; L29-F236 HydrophobicContact CD1-CZ 3.99Å; L29-F236 HydrophobicContact CG-CZ 4.32Å; L29-L246 HydrophobicContact CD2-CB 3.66Å; L29-L247 HydrophobicContact CD1-CB 3.91Å; L29-L247 HydrophobicContact CD1-CD1 3.79Å; L29-L247 HydrophobicContact CD1-CG 4.47Å; L29-V250 HydrophobicContact CD1-CG2 4.44Å; L29-V250 HydrophobicContact CD2-CG2 4.01Å; L29-V250 HydrophobicContact CG-CG2 4.46Å
30L97Very high96.2Very high1 Ų128.9 Ų28.91%0.00518%0.182CC..G310 helixtrans-69.6-14.5-175.1-60.4179.8000113.7M27 N28 F36 L46 L54 P161M27-L30 HydrophobicContact CE-CD1 3.86Å; M27-L30 PolarHBondContact O-N 3.07Å; M27-L30 VanDerWaalsContact O-N 3.17Å; N28-L30 PolarHBondContact O-N 3.29Å; L30-F36 HydrophobicContact CD2-CE2 4.26Å; L30-F36 HydrophobicContact CD2-CZ 3.78Å; L30-L46 HydrophobicContact CD1-CD2 4.03Å; L30-L46 HydrophobicContact CD2-CD2 3.8Å; L30-L54 HydrophobicContact CD1-CD1 3.94Å; L30-L54 HydrophobicContact CD2-CD1 3.78Å; L30-L54 HydrophobicContact CG-CD1 3.88Å; L30-P161 HydrophobicContact CD1-CG 3.81Å
31D95.5Very high96.4Very high1 Ų129 Ų291%0.00518%0.183CC..G310 helixtrans-960.7176.8-67.6-13.5000112.4N18 N28 L29 P33 S99 M101 N102N18-D31 WeakPolarHBondContact CA-OD2 3.34Å; N18-D31 WeakPolarHBondContact CB-OD2 3.45Å; N28-D31 PolarHBondContact O-N 2.96Å; L29-D31 PolarHBondContact O-N 3.45Å; D31-P33 VanDerWaalsContact O-CD 3.29Å; D31-P33 WeakPolarHBondContact O-CD 3.27Å; D31-S99 WeakPolarHBondContact CB-OG 3.47Å; D31-S99 WeakPolarHBondContact OD2-CB 3.49Å; D31-S99 PolarHBondContact OD2-OG 3.26Å; D31-M101 HydrophobicContact CB-CB 4.1Å; D31-M101 HydrophobicContact CB-CG 4.35Å; D31-M101 VanDerWaalsContact O-CB 3.26Å; D31-M101 WeakPolarHBondContact O-CB 3.26Å; D31-N102 PolarHBondContact O-OD1 3.17Å
32V97.3Very high96.6Very high3 Ų328.4 Ų28.42%0.01818%0.178CC..SBendtrans-64.3120.3173.1175.60000108.7N28 L29 L35 M101 R233 F236N28-V32 PolarHBondContact O-N 2.92Å; L29-V32 WeakPolarHBondContact O-CB 3.45Å; L29-V32 VanDerWaalsContact O-CG2 3.32Å; L29-V32 WeakPolarHBondContact O-CG2 3.42Å; L29-V32 PolarHBondContact O-N 3.09Å; L29-V32 VanDerWaalsContact O-N 3.09Å; V32-L35 HydrophobicContact CB-CB 4.27Å; V32-L35 WeakPolarHBondContact O-CB 3.36Å; V32-L35 PolarHBondContact O-N 3.23Å; V32-M101 HydrophobicContact CG2-CG 4.32Å; V32-M101 HydrophobicContact CG2-SD 4.32Å; V32-R233 HydrophobicContact CG1-CG 3.87Å; V32-F236 HydrophobicContact CG2-CB 3.96Å; V32-F236 HydrophobicContact CG2-CD1 4.49Å; V32-F236 HydrophobicContact CG2-CD2 4.42Å; V32-F236 HydrophobicContact CG2-CG 4.03Å
33P97Very high96.9Very high6 Ų626.4 Ų26.44%0.03915%0.146CC..THydrogen-bonded Turntrans-61.1144.1179.2-19.128.3000112D31 L35 A105 H157 L228 V232D31-P33 VanDerWaalsContact O-CD 3.29Å; D31-P33 WeakPolarHBondContact O-CD 3.27Å; P33-L35 PolarHBondContact O-N 3.15Å; P33-L35 VanDerWaalsContact O-N 3.11Å; P33-A105 HydrophobicContact CB-CB 4.48Å; P33-A105 HydrophobicContact CG-CB 3.51Å; P33-H157 CarbonylContact C-O 3.59Å; P33-H157 WeakPolarHBondContact CA-O 3.42Å; P33-H157 VanDerWaalsContact CB-O 3.29Å; P33-H157 WeakPolarHBondContact CB-O 3.17Å; P33-L228 HydrophobicContact CB-CD1 3.64Å; P33-L228 HydrophobicContact CG-CD1 4.04Å; P33-V232 HydrophobicContact CG-CG1 4.42Å
34F96.6Very high97Very high26 Ų2630 Ų3011%0.11416%0.16CC..THydrogen-bonded Turntrans53.825.2-177.6-51.5-79.5000114.4F36 F109 H157 F224 L228F34-F36 VanDerWaalsContact C-N 3.34Å; F34-F109 HydrophobicContact CE2-CZ 4.42Å; F34-H157 HydrophobicContact CE1-CB 4.33Å; F34-H157 HydrophobicContact CE2-CB 4.16Å; F34-H157 HydrophobicContact CZ-CB 3.76Å; F34-H157 PolarHBondContact N-O 2.86Å; F34-F224 HydrophobicContact CE1-CB 4.47Å; F34-F224 HydrophobicContact CE2-CB 3.91Å; F34-F224 HydrophobicContact CZ-CB 3.46Å; F34-F224 VanDerWaalsContact CZ-CB 3.46Å; F34-L228 HydrophobicContact CD2-CD1 3.77Å; F34-L228 HydrophobicContact CE2-CD1 3.75Å
35L97.5Very high97.1Very high4 Ų429.6 Ų29.62%0.02116%0.157CC..  trans-60.1-44.7172.8179.371.9000111.5L29 V32 P33 L247 V250L29-L35 HydrophobicContact CD1-CD1 4.15Å; L29-L35 HydrophobicContact CD1-CD2 4.35Å; L29-L35 HydrophobicContact CG-CD2 4.3Å; L29-L35 VanDerWaalsContact O-CD2 3.31Å; L29-L35 WeakPolarHBondContact O-CD2 3.45Å; V32-L35 HydrophobicContact CB-CB 4.27Å; V32-L35 WeakPolarHBondContact O-CB 3.36Å; V32-L35 PolarHBondContact O-N 3.23Å; P33-L35 PolarHBondContact O-N 3.15Å; P33-L35 VanDerWaalsContact O-N 3.11Å; L35-L247 HydrophobicContact CD1-CD1 3.51Å; L35-V250 HydrophobicContact CD1-CB 4.12Å; L35-V250 HydrophobicContact CD1-CG1 3.75Å; L35-V250 HydrophobicContact CD1-CG2 4.36Å; L35-V250 HydrophobicContact CD2-CG1 4.22Å; L35-V250 HydrophobicContact CD2-CG2 4.48Å; L35-V250 HydrophobicContact CG-CG1 3.76Å
36F98Very high97.2Very high6 Ų626.5 Ų26.53%0.02614%0.137CC..  trans-99.8136.4-179.5-54.9-73.3000111.7L30 F34 H41 A42 T45 W73 Y159 V250L30-F36 HydrophobicContact CD2-CE2 4.26Å; L30-F36 HydrophobicContact CD2-CZ 3.78Å; F34-F36 VanDerWaalsContact C-N 3.34Å; F36-H41 WeakPolarHBondContact CA-ND1 3.35Å; F36-H41 AromaticContact CD1-CE1 3.93Å; F36-H41 AromaticContact CD1-ND1 3.62Å; F36-A42 HydrophobicContact CB-CB 3.99Å; F36-A42 VanDerWaalsContact CD1-CA 3.45Å; F36-A42 HydrophobicContact CD1-CB 3.88Å; F36-A42 HydrophobicContact CD2-CB 4.04Å; F36-A42 HydrophobicContact CE1-CB 4.32Å; F36-A42 HydrophobicContact CE2-CB 4.44Å; F36-A42 HydrophobicContact CG-CB 3.7Å; F36-T45 HydrophobicContact CE1-CG2 3.82Å; F36-W73 HydrophobicContact CB-CH2 3.95Å; F36-W73 WeakPolarHBondContact O-CH2 3.32Å; F36-Y159 AromaticContact CD2-CD1 3.94Å; F36-Y159 HydrophobicContact CD2-CD1 3.94Å; F36-Y159 HydrophobicContact CD2-CG 4.06Å; F36-Y159 AromaticContact CE2-CD1 3.85Å; F36-Y159 HydrophobicContact CE2-CD1 3.85Å; F36-Y159 HydrophobicContact CE2-CG 4.41Å; F36-V250 HydrophobicContact CD1-CG1 4.17Å; F36-V250 HydrophobicContact CE1-CG1 3.97Å
37R95.4Very high97.3Very high117 Ų11729.7 Ų29.744%0.44215%0.154SC..SBendtrans-69.4-43.9177.6-60.8-175.3-64.9-83.24112.3H41 V253 Q254R37-H41 HydrophobicContact CB-CB 4.43Å; R37-H41 VanDerWaalsContact CZ-CD2 3.43Å; R37-H41 PolarHBondContact N-ND1 3.36Å; R37-H41 PolarHBondContact NH1-CD2 2.82Å; R37-H41 PolarHBondContact NH1-CE1 3.19Å; R37-H41 PolarHBondContact NH1-NE2 3.08Å; R37-H41 PolarHBondContact NH2-CD2 2.79Å; R37-V253 PolarHBondContact NH1-O 3.05Å; R37-V253 PolarHBondContact NH2-O 2.86Å; R37-Q254 PolarHBondContact NH2-OXT 3.42Å
38D96.2Very high97.4Very high78 Ų7830.8 Ų30.842%0.41717%0.165SC..SBendtrans-157.9177.4-178.958.949.4000110.9A40 H41 A42 W73D38-A40 VanDerWaalsContact C-N 3.28Å; D38-A40 PolarHBondContact O-N 3.32Å; D38-A40 WeakPolarHBondContact OD1-CA 3.48Å; D38-A40 WeakPolarHBondContact OD1-CB 3.24Å; D38-A40 PolarHBondContact OD1-N 2.97Å; D38-H41 PolarHBondContact O-N 3.44Å; D38-H41 PolarHBondContact OD1-N 3.31Å; D38-A42 PolarHBondContact O-N 2.84Å; D38-W73 VanDerWaalsContact C-CZ2 3.44Å
39T96.9Very high97.5Very high55 Ų5537 Ų3734%0.33719%0.191SC..Hα-helixtrans-63.3-35.1-175.9-54.70000111.7A42 H43 W73T39-A42 PolarHBondContact O-N 3.26Å; T39-H43 VanDerWaalsContact CG2-CE1 3.4Å; T39-H43 WeakPolarHBondContact CG2-CE1 3.25Å; T39-H43 WeakPolarHBondContact CG2-NE2 3.45Å; T39-H43 PolarHBondContact O-CD2 3.06Å; T39-H43 VanDerWaalsContact O-CG 3.29Å; T39-H43 PolarHBondContact O-N 3.35Å; T39-W73 PolarHBondContact OG1-NE1 2.85Å
40A97.3Very high97.5Very high70 Ų7037.3 Ų37.358%0.57919%0.193SC*.Hα-helixtrans-68.4-42179.600000111.1D38 A42 H43 K44D38-A40 VanDerWaalsContact C-N 3.28Å; D38-A40 PolarHBondContact O-N 3.32Å; D38-A40 WeakPolarHBondContact OD1-CA 3.48Å; D38-A40 WeakPolarHBondContact OD1-CB 3.24Å; D38-A40 PolarHBondContact OD1-N 2.97Å; A40-A42 VanDerWaalsContact C-N 3.33Å; A40-A42 PolarHBondContact O-N 2.92Å; A40-H43 PolarHBondContact O-N 2.97Å; A40-K44 VanDerWaalsContact O-CB 3.32Å; A40-K44 WeakPolarHBondContact O-CB 3.17Å; A40-K44 PolarHBondContact O-N 2.85Å
41H98.4Very high97.6Very high3 Ų337.2 Ų37.21%0.01419%0.193CC..Hα-helixtrans-60.5-42.3172.4179.6-120000111.8F36 R37 D38 T45 V250 V253F36-H41 WeakPolarHBondContact CA-ND1 3.35Å; F36-H41 AromaticContact CD1-CE1 3.93Å; F36-H41 AromaticContact CD1-ND1 3.62Å; R37-H41 HydrophobicContact CB-CB 4.43Å; R37-H41 VanDerWaalsContact CZ-CD2 3.43Å; R37-H41 PolarHBondContact N-ND1 3.36Å; R37-H41 PolarHBondContact NH1-CD2 2.82Å; R37-H41 PolarHBondContact NH1-CE1 3.19Å; R37-H41 PolarHBondContact NH1-NE2 3.08Å; R37-H41 PolarHBondContact NH2-CD2 2.79Å; D38-H41 PolarHBondContact O-N 3.44Å; D38-H41 PolarHBondContact OD1-N 3.31Å; H41-T45 VanDerWaalsContact O-CB 3.32Å; H41-T45 WeakPolarHBondContact O-CB 3.27Å; H41-T45 PolarHBondContact O-N 2.78Å; H41-T45 PolarHBondContact O-OG1 3.27Å; H41-V250 PolarHBondContact NE2-O 2.98Å; H41-V253 PolarHBondContact CD2-O 3.01Å; H41-V253 PolarHBondContact NE2-O 2.99Å
42A98.4Very high97.7Very high0 Ų041 Ų410%021%0.213CC..Hα-helixtrans-61.3-50.4175.600000112.3F36 D38 T39 A40 T45 L46 Y159F36-A42 HydrophobicContact CB-CB 3.99Å; F36-A42 VanDerWaalsContact CD1-CA 3.45Å; F36-A42 HydrophobicContact CD1-CB 3.88Å; F36-A42 HydrophobicContact CD2-CB 4.04Å; F36-A42 HydrophobicContact CE1-CB 4.32Å; F36-A42 HydrophobicContact CE2-CB 4.44Å; F36-A42 HydrophobicContact CG-CB 3.7Å; D38-A42 PolarHBondContact O-N 2.84Å; T39-A42 PolarHBondContact O-N 3.26Å; A40-A42 VanDerWaalsContact C-N 3.33Å; A40-A42 PolarHBondContact O-N 2.92Å; A42-T45 PolarHBondContact O-N 2.89Å; A42-L46 WeakPolarHBondContact O-CB 3.5Å; A42-L46 VanDerWaalsContact O-CG 3.3Å; A42-L46 WeakPolarHBondContact O-CG 3.15Å; A42-L46 PolarHBondContact O-N 2.95Å; A42-Y159 HydrophobicContact CB-CD1 3.84Å; A42-Y159 HydrophobicContact CB-CD2 4.09Å; A42-Y159 HydrophobicContact CB-CE1 3.69Å; A42-Y159 HydrophobicContact CB-CE2 3.95Å; A42-Y159 HydrophobicContact CB-CG 4.04Å
43H98.1Very high97.7Very high39 Ų3943.8 Ų43.818%0.18123%0.228CC..Hα-helixtrans-61.3-48179.1-68.4-179.5000111.8T39 A40 T45 L46 D47 E70 Y159T39-H43 VanDerWaalsContact CG2-CE1 3.4Å; T39-H43 WeakPolarHBondContact CG2-CE1 3.25Å; T39-H43 WeakPolarHBondContact CG2-NE2 3.45Å; T39-H43 PolarHBondContact O-CD2 3.06Å; T39-H43 VanDerWaalsContact O-CG 3.29Å; T39-H43 PolarHBondContact O-N 3.35Å; A40-H43 PolarHBondContact O-N 2.97Å; H43-T45 VanDerWaalsContact C-N 3.29Å; H43-T45 PolarHBondContact O-N 2.88Å; H43-L46 PolarHBondContact O-N 3.5Å; H43-D47 WeakPolarHBondContact O-CB 3.36Å; H43-D47 VanDerWaalsContact O-CG 3.31Å; H43-D47 PolarHBondContact O-N 2.96Å; H43-E70 IonicContact CD2-OE2 3.63Å; H43-E70 IonicContact CE1-OE2 3.5Å; H43-E70 IonicContact NE2-OE2 3.7Å; H43-E70 PolarHBondContact NE2-OE2 3.37Å; H43-Y159 PolarHBondContact CD2-OH 3.46Å; H43-Y159 VanDerWaalsContact CD2-OH 3.32Å; H43-Y159 PolarHBondContact NE2-OH 2.93Å
44K98.3Very high97.8Very high118 Ų11843.5 Ų43.551%0.51323%0.226SC..Hα-helixtrans-61.9-36.9179.5-172.2176.1176.71800112.6A40 G48 V253 Q254A40-K44 VanDerWaalsContact O-CB 3.32Å; A40-K44 WeakPolarHBondContact O-CB 3.17Å; A40-K44 PolarHBondContact O-N 2.85Å; K44-G48 PolarHBondContact O-N 3.25Å; K44-G48 VanDerWaalsContact O-N 3.17Å; K44-V253 HydrophobicContact CB-CG1 3.95Å; K44-V253 HydrophobicContact CD-CG1 3.65Å; K44-V253 HydrophobicContact CG-CG1 3.61Å; K44-Q254 VanDerWaalsContact CD-O 3.29Å; K44-Q254 WeakPolarHBondContact CD-O 3.43Å; K44-Q254 WeakPolarHBondContact CE-O 3.4Å; K44-Q254 PolarHBondContact NZ-O 2.66Å
45T98.7Very high97.9Very high0 Ų043.3 Ų43.30%023%0.225CC..Hα-helixtrans-68.1-46.9177.1-58.90000111.7F36 H41 A42 H43 G48 V50 G51 V250 V253F36-T45 HydrophobicContact CE1-CG2 3.82Å; H41-T45 VanDerWaalsContact O-CB 3.32Å; H41-T45 WeakPolarHBondContact O-CB 3.27Å; H41-T45 PolarHBondContact O-N 2.78Å; H41-T45 PolarHBondContact O-OG1 3.27Å; A42-T45 PolarHBondContact O-N 2.89Å; H43-T45 VanDerWaalsContact C-N 3.29Å; H43-T45 PolarHBondContact O-N 2.88Å; T45-G48 PolarHBondContact O-N 3.08Å; T45-V50 HydrophobicContact CG2-CB 3.83Å; T45-V50 HydrophobicContact CG2-CG1 3.92Å; T45-V50 HydrophobicContact CG2-CG2 4.27Å; T45-G51 PolarHBondContact O-N 2.96Å; T45-G51 VanDerWaalsContact O-N 3.13Å; T45-V250 HydrophobicContact CG2-CB 4.31Å; T45-V250 HydrophobicContact CG2-CG1 4.08Å; T45-V250 HydrophobicContact CG2-CG2 3.85Å; T45-V253 HydrophobicContact CG2-CG2 4.4Å
46L98.5Very high97.9Very high0 Ų045.7 Ų45.70%025%0.245CC..Hα-helixtrans-71.9-31.6-177.7-70.3170.2000113L30 A42 H43 G48 G51 Y68 Y159 P161L30-L46 HydrophobicContact CD1-CD2 4.03Å; L30-L46 HydrophobicContact CD2-CD2 3.8Å; A42-L46 WeakPolarHBondContact O-CB 3.5Å; A42-L46 VanDerWaalsContact O-CG 3.3Å; A42-L46 WeakPolarHBondContact O-CG 3.15Å; A42-L46 PolarHBondContact O-N 2.95Å; H43-L46 PolarHBondContact O-N 3.5Å; L46-G48 VanDerWaalsContact C-N 3.3Å; L46-G51 VanDerWaalsContact O-CA 3.32Å; L46-G51 WeakPolarHBondContact O-CA 3.36Å; L46-Y68 HydrophobicContact CB-CD2 3.71Å; L46-Y68 HydrophobicContact CB-CE2 4.19Å; L46-Y68 HydrophobicContact CB-CG 4.01Å; L46-Y68 HydrophobicContact CD2-CD1 4.09Å; L46-Y68 HydrophobicContact CD2-CD2 4.24Å; L46-Y68 HydrophobicContact CD2-CE1 4.05Å; L46-Y68 HydrophobicContact CD2-CE2 4.17Å; L46-Y68 HydrophobicContact CD2-CG 4.19Å; L46-Y68 HydrophobicContact CG-CG 4.49Å; L46-Y68 WeakPolarHBondContact O-CD2 3.48Å; L46-Y68 WeakPolarHBondContact O-CE2 3.49Å; L46-Y159 HydrophobicContact CD1-CE1 3.78Å; L46-P161 HydrophobicContact CD1-CB 3.65Å; L46-P161 HydrophobicContact CD1-CG 3.98Å; L46-P161 HydrophobicContact CD2-CG 4.29Å
47D98Very high97.9Very high79 Ų7946.9 Ų46.942%0.42225%0.254SS..THydrogen-bonded Turntrans-89.3-1.7177.2-59.5-20.1000112.5H43 R194H43-D47 WeakPolarHBondContact O-CB 3.36Å; H43-D47 VanDerWaalsContact O-CG 3.31Å; H43-D47 PolarHBondContact O-N 2.96Å; D47-R194 IonicContact OD1-CZ 3.88Å; D47-R194 IonicContact OD1-NH1 2.98Å; D47-R194 IonicContact OD1-NH2 3.84Å; D47-R194 PolarHBondContact OD1-NH2 2.71Å; D47-R194 IonicContact OD2-CZ 2.6Å; D47-R194 IonicContact OD2-NH1 3Å; D47-R194 PolarHBondContact OD2-NH1 2.96Å; D47-R194 IonicContact OD2-NH2 3.16Å; D47-R194 PolarHBondContact OD2-NH2 3.14Å
48G98.2Very high98.1Very high24 Ų2441.3 Ų41.325%0.24723%0.233CC..SBendtrans-105.6-162.417700000113.8K44 T45 L46 V50 G51 D52K44-G48 PolarHBondContact O-N 3.25Å; K44-G48 VanDerWaalsContact O-N 3.17Å; T45-G48 PolarHBondContact O-N 3.08Å; L46-G48 VanDerWaalsContact C-N 3.3Å; G48-V50 PolarHBondContact O-N 2.93Å; G48-G51 WeakPolarHBondContact O-CA 3.4Å; G48-G51 PolarHBondContact O-N 3.31Å; G48-G51 VanDerWaalsContact O-N 3.1Å; G48-D52 PolarHBondContact O-N 3.25Å
49K97.9Very high98.2Very high146 Ų14640.6 Ų40.664%0.63523%0.228SC*.Hα-helixtrans-57-43.4-173.4175165.617138.10113.9G51 D52 D53K49-G51 VanDerWaalsContact C-N 3.3Å; K49-G51 PolarHBondContact O-N 3.39Å; K49-D52 PolarHBondContact O-N 3.2Å; K49-D53 VanDerWaalsContact NZ-CG 3.28Å; K49-D53 IonicContact NZ-OD1 2.75Å; K49-D53 PolarHBondContact NZ-OD1 3.15Å; K49-D53 IonicContact NZ-OD2 2.77Å; K49-D53 PolarHBondContact NZ-OD2 3.39Å; K49-D53 PolarHBondContact O-N 3.12Å
50V98.3Very high98.2Very high7 Ų741.5 Ų41.54%0.04225%0.248CC..Hα-helixtrans-59.4-46.6178.3173.30000110.1L29 T45 G48 D52 D53 L54 L246 A249 V250L29-V50 HydrophobicContact CD2-CG1 4.18Å; T45-V50 HydrophobicContact CG2-CB 3.83Å; T45-V50 HydrophobicContact CG2-CG1 3.92Å; T45-V50 HydrophobicContact CG2-CG2 4.27Å; G48-V50 PolarHBondContact O-N 2.93Å; V50-D52 VanDerWaalsContact C-N 3.34Å; V50-D52 PolarHBondContact O-N 3Å; V50-D53 PolarHBondContact O-N 3.28Å; V50-L54 HydrophobicContact CG1-CD1 4.13Å; V50-L54 VanDerWaalsContact O-CG 3.32Å; V50-L54 WeakPolarHBondContact O-CG 3.31Å; V50-L54 PolarHBondContact O-N 3.46Å; V50-L246 HydrophobicContact CG1-CD2 4.29Å; V50-A249 HydrophobicContact CG2-CB 3.62Å; V50-V250 HydrophobicContact CG1-CG2 3.79Å; V50-V250 HydrophobicContact CG2-CG2 4.33Å
51G98.3Very high98.2Very high0 Ų042.4 Ų42.40%024%0.239CC..Hα-helixtrans-58.4-43.217500000113.2T45 L46 G48 K49 L54 K55 Y68T45-G51 PolarHBondContact O-N 2.96Å; T45-G51 VanDerWaalsContact O-N 3.13Å; L46-G51 VanDerWaalsContact O-CA 3.32Å; L46-G51 WeakPolarHBondContact O-CA 3.36Å; G48-G51 WeakPolarHBondContact O-CA 3.4Å; G48-G51 PolarHBondContact O-N 3.31Å; G48-G51 VanDerWaalsContact O-N 3.1Å; K49-G51 VanDerWaalsContact C-N 3.3Å; K49-G51 PolarHBondContact O-N 3.39Å; G51-L54 PolarHBondContact O-N 2.99Å; G51-K55 VanDerWaalsContact O-CG 3.28Å; G51-K55 WeakPolarHBondContact O-CG 3.5Å; G51-K55 PolarHBondContact O-N 3.44Å; G51-Y68 PolarHBondContact O-OH 3.36Å
52D98.4Very high98.2Very high79 Ų7943.5 Ų43.542%0.42225%0.25SS..Hα-helixtrans-64.7-41.6177.3-70.3-21.7000113G48 K49 V50 L54 K55 A56G48-D52 PolarHBondContact O-N 3.25Å; K49-D52 PolarHBondContact O-N 3.2Å; V50-D52 VanDerWaalsContact C-N 3.34Å; V50-D52 PolarHBondContact O-N 3Å; D52-L54 VanDerWaalsContact C-N 3.3Å; D52-L54 PolarHBondContact O-N 3.33Å; D52-K55 WeakPolarHBondContact O-CB 3.48Å; D52-K55 PolarHBondContact O-N 2.91Å; D52-K55 IonicContact OD1-NZ 2.64Å; D52-K55 PolarHBondContact OD1-NZ 2.91Å; D52-A56 WeakPolarHBondContact O-CB 3.33Å; D52-A56 PolarHBondContact O-N 3.42Å
53D98.2Very high98.2Very high62 Ų6243.5 Ų43.533%0.33225%0.25SS..Hα-helixtrans-62.5-39.5175.4-67.1-23.6000111K49 V50 A56 S57 L246K49-D53 VanDerWaalsContact NZ-CG 3.28Å; K49-D53 IonicContact NZ-OD1 2.75Å; K49-D53 PolarHBondContact NZ-OD1 3.15Å; K49-D53 IonicContact NZ-OD2 2.77Å; K49-D53 PolarHBondContact NZ-OD2 3.39Å; K49-D53 PolarHBondContact O-N 3.12Å; V50-D53 PolarHBondContact O-N 3.28Å; D53-A56 PolarHBondContact O-N 3.23Å; D53-S57 PolarHBondContact O-N 3.13Å; D53-S57 VanDerWaalsContact O-N 3.12Å; D53-L246 HydrophobicContact CB-CD2 3.81Å
54L98.3Very high98.3Very high0 Ų043.8 Ų43.80%025%0.251CS..Hα-helixtrans-65.3-42.1173.9-70172.9000112.2V26 M27 L29 L30 V50 G51 D52 A56 S57 Y68 L246V26-L54 HydrophobicContact CG1-CD2 4.1Å; V26-L54 HydrophobicContact CG2-CD2 4.21Å; M27-L54 HydrophobicContact SD-CB 4.1Å; M27-L54 HydrophobicContact SD-CD2 4.07Å; L29-L54 HydrophobicContact CD2-CD1 4.44Å; L29-L54 HydrophobicContact CD2-CD2 4.45Å; L30-L54 HydrophobicContact CD1-CD1 3.94Å; L30-L54 HydrophobicContact CD2-CD1 3.78Å; L30-L54 HydrophobicContact CG-CD1 3.88Å; V50-L54 HydrophobicContact CG1-CD1 4.13Å; V50-L54 VanDerWaalsContact O-CG 3.32Å; V50-L54 WeakPolarHBondContact O-CG 3.31Å; V50-L54 PolarHBondContact O-N 3.46Å; G51-L54 PolarHBondContact O-N 2.99Å; D52-L54 VanDerWaalsContact C-N 3.3Å; D52-L54 PolarHBondContact O-N 3.33Å; L54-A56 VanDerWaalsContact C-N 3.35Å; L54-A56 PolarHBondContact O-N 3.04Å; L54-S57 WeakPolarHBondContact O-CB 3.27Å; L54-S57 PolarHBondContact O-N 3.5Å; L54-S57 PolarHBondContact O-OG 3.08Å; L54-Y68 WeakPolarHBondContact CB-OH 3.4Å; L54-L246 HydrophobicContact CD2-CD1 4.36Å
55K98.5Very high98.3Very high22 Ų2238.3 Ų38.310%0.09623%0.228CC..Hα-helixtrans-59.5-46.3174.2-65.5172.7-160.61520110.6G51 D52 S57 L58 V65 Y68G51-K55 VanDerWaalsContact O-CG 3.28Å; G51-K55 WeakPolarHBondContact O-CG 3.5Å; G51-K55 PolarHBondContact O-N 3.44Å; D52-K55 WeakPolarHBondContact O-CB 3.48Å; D52-K55 PolarHBondContact O-N 2.91Å; D52-K55 IonicContact OD1-NZ 2.64Å; D52-K55 PolarHBondContact OD1-NZ 2.91Å; K55-S57 PolarHBondContact O-N 3.21Å; K55-L58 PolarHBondContact O-N 3.11Å; K55-L58 VanDerWaalsContact O-N 3.13Å; K55-V65 HydrophobicContact CB-CB 3.97Å; K55-V65 HydrophobicContact CB-CG2 4.2Å; K55-V65 HydrophobicContact CD-CB 4.39Å; K55-V65 HydrophobicContact CD-CG1 4.47Å; K55-V65 HydrophobicContact CG-CB 3.72Å; K55-V65 HydrophobicContact CG-CG1 3.89Å; K55-V65 HydrophobicContact CG-CG2 4.28Å; K55-Y68 HydrophobicContact CD-CE2 4.21Å; K55-Y68 HydrophobicContact CG-CE2 3.92Å; K55-Y68 WeakPolarHBondContact CG-OH 3.28Å
56A98.3Very high98.3Very high54 Ų5438.6 Ų38.645%0.44623%0.229SC..Hα-helixtrans-60.4-34.5-179.800000112.3D52 D53 L54 L58 E59D52-A56 WeakPolarHBondContact O-CB 3.33Å; D52-A56 PolarHBondContact O-N 3.42Å; D53-A56 PolarHBondContact O-N 3.23Å; L54-A56 VanDerWaalsContact C-N 3.35Å; L54-A56 PolarHBondContact O-N 3.04Å; A56-L58 PolarHBondContact O-N 3.04Å; A56-E59 PolarHBondContact O-N 2.8Å; A56-E59 VanDerWaalsContact O-N 3.11Å
57S97.8Very high98.3Very high31 Ų3138.9 Ų38.922%0.21723%0.231CC..Hα-helixtrans-59.7-20.5177.985.70000114.1S24 D53 L54 K55S24-S57 VanDerWaalsContact OG-CB 3.24Å; S24-S57 WeakPolarHBondContact OG-CB 3.49Å; S24-S57 PolarHBondContact OG-OG 3.07Å; D53-S57 PolarHBondContact O-N 3.13Å; D53-S57 VanDerWaalsContact O-N 3.12Å; L54-S57 WeakPolarHBondContact O-CB 3.27Å; L54-S57 PolarHBondContact O-N 3.5Å; L54-S57 PolarHBondContact O-OG 3.08Å; K55-S57 PolarHBondContact O-N 3.21Å
58L98.5Very high98.3Very high0 Ų035.2 Ų35.20%021%0.212CC..Hα-helixtrans-97.2-14.2180-64.8174.5000113.8F20 L23 M27 K55 A56 G60 K61 L63 V65 L163F20-L58 HydrophobicContact CB-CD1 4.26Å; F20-L58 HydrophobicContact CB-CD2 4.13Å; F20-L58 HydrophobicContact CD1-CD1 3.93Å; F20-L58 HydrophobicContact CD1-CD2 4.29Å; F20-L58 HydrophobicContact CG-CD1 4.16Å; L23-L58 HydrophobicContact CB-CD2 4.45Å; M27-L58 HydrophobicContact SD-CD1 4.31Å; K55-L58 PolarHBondContact O-N 3.11Å; K55-L58 VanDerWaalsContact O-N 3.13Å; A56-L58 PolarHBondContact O-N 3.04Å; L58-G60 PolarHBondContact O-N 3.21Å; L58-K61 WeakPolarHBondContact O-CA 3.45Å; L58-K61 WeakPolarHBondContact O-CB 3.47Å; L58-K61 PolarHBondContact O-N 3.47Å; L58-L63 CarbonylContact C-O 3.55Å; L58-L63 HydrophobicContact CB-CB 4.27Å; L58-L63 PolarHBondContact O-N 3.44Å; L58-V65 HydrophobicContact CB-CG2 4.29Å; L58-V65 HydrophobicContact CD1-CG2 3.69Å; L58-L163 HydrophobicContact CD1-CD2 3.66Å
59E98.2Very high98.3Very high63 Ų6336.7 Ų36.729%0.29421%0.21SC..Hα-helixtrans-61.4-47.6-177.2-68.6-164.5169.400112.2A56 K61 G62 L63 K64A56-E59 PolarHBondContact O-N 2.8Å; A56-E59 VanDerWaalsContact O-N 3.11Å; E59-K61 PolarHBondContact O-N 3.29Å; E59-G62 PolarHBondContact O-N 2.6Å; E59-L63 VanDerWaalsContact CA-O 3.22Å; E59-L63 WeakPolarHBondContact CA-O 3.34Å; E59-L63 PolarHBondContact N-O 3.33Å; E59-K64 WeakPolarHBondContact OE1-CD 3.33Å; E59-K64 IonicContact OE1-NZ 2.72Å; E59-K64 PolarHBondContact OE1-NZ 3Å
60G97.4Very high98.3Very high74 Ų7430.1 Ų30.176%0.76318%0.181SC*.THydrogen-bonded Turntrans-65.5-3174.400000114.4L58L58-G60 PolarHBondContact O-N 3.21Å
61K98.1Very high98.2Very high90 Ų9030.7 Ų30.739%0.39118%0.184SC..THydrogen-bonded Turntrans-102.98.2175.5-48-56.8175.9-173.50112.3R6 L23 L58 E59R6-K61 WeakPolarHBondContact CG-O 3.29Å; R6-K61 PolarHBondContact NE-O 2.89Å; L23-K61 HydrophobicContact CB-CG 4.41Å; L23-K61 VanDerWaalsContact O-CE 3.31Å; L23-K61 WeakPolarHBondContact O-CE 3.39Å; L58-K61 WeakPolarHBondContact O-CA 3.45Å; L58-K61 WeakPolarHBondContact O-CB 3.47Å; L58-K61 PolarHBondContact O-N 3.47Å; E59-K61 PolarHBondContact O-N 3.29Å
62G98.2Very high98.1Very high25 Ų2530.8 Ų30.826%0.25819%0.186SC..THydrogen-bonded Turntrans84.919.2178.100000113.8E59 K168E59-G62 PolarHBondContact O-N 2.6Å; G62-K168 PolarHBondContact O-N 3.1Å
63L98.8Very high98Very high0 Ų028.2 Ų28.20%017%0.17CC..EExtended strand (participates in β ladder)trans-124.8129.9-178.4-64.6168000110.6I2 V5 R6 F20 L23 L58 E59 V165I2-L63 HydrophobicContact CG2-CD1 4.01Å; V5-L63 HydrophobicContact CB-CD2 4.12Å; V5-L63 HydrophobicContact CG1-CD2 3.65Å; R6-L63 HydrophobicContact CG-CD1 4.02Å; R6-L63 HydrophobicContact CG-CD2 3.67Å; R6-L63 HydrophobicContact CG-CG 3.67Å; F20-L63 HydrophobicContact CD1-CD1 4.01Å; F20-L63 HydrophobicContact CE1-CD1 3.93Å; L23-L63 HydrophobicContact CD1-CD1 4.02Å; L58-L63 CarbonylContact C-O 3.55Å; L58-L63 HydrophobicContact CB-CB 4.27Å; L58-L63 PolarHBondContact O-N 3.44Å; E59-L63 VanDerWaalsContact CA-O 3.22Å; E59-L63 WeakPolarHBondContact CA-O 3.34Å; E59-L63 PolarHBondContact N-O 3.33Å; L63-V165 HydrophobicContact CD2-CB 4.25Å; L63-V165 HydrophobicContact CD2-CG2 4.12Å
64K98.7Very high98Very high46 Ų4625.4 Ų25.420%0.215%0.154CC..EExtended strand (participates in β ladder)trans-99.9122.3161.3178.461.9166.5178.40108.1E59 L66 V165 I166 K168 F171E59-K64 WeakPolarHBondContact OE1-CD 3.33Å; E59-K64 IonicContact OE1-NZ 2.72Å; E59-K64 PolarHBondContact OE1-NZ 3Å; K64-L66 HydrophobicContact CG-CD2 4.26Å; K64-V165 CarbonylContact O-C 3.58Å; K64-V165 VanDerWaalsContact O-CA 3.32Å; K64-V165 WeakPolarHBondContact O-CA 3.47Å; K64-I166 HydrophobicContact CB-CG2 3.7Å; K64-I166 HydrophobicContact CG-CG2 4.23Å; K64-I166 PolarHBondContact N-O 2.67Å; K64-I166 PolarHBondContact O-N 2.78Å; K64-K168 HydrophobicContact CB-CD 3.94Å; K64-F171 HydrophobicContact CB-CB 4.28Å; K64-F171 HydrophobicContact CB-CD1 4.26Å; K64-F171 HydrophobicContact CB-CG 4.16Å; K64-F171 HydrophobicContact CD-CD1 4.48Å; K64-F171 HydrophobicContact CD-CE1 4.34Å; K64-F171 HydrophobicContact CG-CD1 3.84Å; K64-F171 HydrophobicContact CG-CD2 4.21Å; K64-F171 HydrophobicContact CG-CE1 3.98Å; K64-F171 HydrophobicContact CG-CE2 4.33Å; K64-F171 HydrophobicContact CG-CG 3.96Å; K64-F171 HydrophobicContact CG-CZ 4.21Å
65V98.8Very high98Very high3 Ų325.4 Ų25.42%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-82.2122.8170.6-171.20000108.2K55 L58 L163 V164 V165K55-V65 HydrophobicContact CB-CB 3.97Å; K55-V65 HydrophobicContact CB-CG2 4.2Å; K55-V65 HydrophobicContact CD-CB 4.39Å; K55-V65 HydrophobicContact CD-CG1 4.47Å; K55-V65 HydrophobicContact CG-CB 3.72Å; K55-V65 HydrophobicContact CG-CG1 3.89Å; K55-V65 HydrophobicContact CG-CG2 4.28Å; L58-V65 HydrophobicContact CB-CG2 4.29Å; L58-V65 HydrophobicContact CD1-CG2 3.69Å; V65-L163 HydrophobicContact CG1-CB 4.19Å; V65-L163 HydrophobicContact CG1-CD2 4.21Å; V65-L163 HydrophobicContact CG1-CG 4.09Å; V65-L163 HydrophobicContact CG2-CD2 4.07Å; V65-V164 WeakPolarHBondContact CA-O 3.35Å; V65-V165 HydrophobicContact CB-CG1 4.44Å; V65-V165 HydrophobicContact CG1-CG1 4.48Å; V65-V165 HydrophobicContact CG2-CG1 4.01Å
66L98.8Very high98Very high6 Ų624.3 Ų24.33%0.03115%0.15CC..EExtended strand (participates in β ladder)trans-86.9-43.8-178.1-62178000111.6M12 K64 V164 I166 F171 L182 V183 A186M12-L66 HydrophobicContact SD-CD1 4.1Å; K64-L66 HydrophobicContact CG-CD2 4.26Å; L66-V164 HydrophobicContact CB-CG1 4.44Å; L66-V164 HydrophobicContact CD1-CG1 4.31Å; L66-V164 PolarHBondContact N-O 3.19Å; L66-I166 HydrophobicContact CD1-CB 4.24Å; L66-I166 HydrophobicContact CD1-CG2 4.15Å; L66-I166 HydrophobicContact CD2-CG2 3.8Å; L66-I166 HydrophobicContact CG-CB 4.49Å; L66-I166 HydrophobicContact CG-CG2 3.95Å; L66-F171 HydrophobicContact CD2-CD2 4Å; L66-F171 HydrophobicContact CD2-CE2 3.77Å; L66-L182 HydrophobicContact CD2-CB 4.46Å; L66-V183 HydrophobicContact CD2-CG2 3.92Å; L66-A186 HydrophobicContact CB-CB 3.62Å; L66-A186 HydrophobicContact CD1-CB 4.34Å
67A98.7Very high98Very high5 Ų521.9 Ų21.94%0.04113%0.129CC..EExtended strand (participates in β ladder)trans-160.3163-179.400000111.6V164 A186 Q187A67-V164 PolarHBondContact O-N 2.82Å; A67-V164 VanDerWaalsContact O-N 3.07Å; A67-A186 HydrophobicContact CB-CB 3.93Å; A67-A186 WeakPolarHBondContact CB-O 3.35Å; A67-Q187 HydrophobicContact CB-CG 4.14Å
68Y98.7Very high98Very high3 Ų320.4 Ų20.41%0.01212%0.119CC..EExtended strand (participates in β ladder)trans-99.1122.9166.9-65.1-73000110L46 G51 L54 K55 P161 L162 L163 R194L46-Y68 HydrophobicContact CB-CD2 3.71Å; L46-Y68 HydrophobicContact CB-CE2 4.19Å; L46-Y68 HydrophobicContact CB-CG 4.01Å; L46-Y68 HydrophobicContact CD2-CD1 4.09Å; L46-Y68 HydrophobicContact CD2-CD2 4.24Å; L46-Y68 HydrophobicContact CD2-CE1 4.05Å; L46-Y68 HydrophobicContact CD2-CE2 4.17Å; L46-Y68 HydrophobicContact CD2-CG 4.19Å; L46-Y68 HydrophobicContact CG-CG 4.49Å; L46-Y68 WeakPolarHBondContact O-CD2 3.48Å; L46-Y68 WeakPolarHBondContact O-CE2 3.49Å; G51-Y68 PolarHBondContact O-OH 3.36Å; L54-Y68 WeakPolarHBondContact CB-OH 3.4Å; K55-Y68 HydrophobicContact CD-CE2 4.21Å; K55-Y68 HydrophobicContact CG-CE2 3.92Å; K55-Y68 WeakPolarHBondContact CG-OH 3.28Å; Y68-P161 HydrophobicContact CD1-CB 4.39Å; Y68-L162 CarbonylContact C-O 3.6Å; Y68-L162 WeakPolarHBondContact CA-O 3.39Å; Y68-L163 HydrophobicContact CD1-CD1 3.77Å; Y68-L163 HydrophobicContact CD1-CG 3.84Å; Y68-L163 HydrophobicContact CE1-CD1 3.69Å; Y68-L163 HydrophobicContact CE1-CD2 4.15Å; Y68-L163 HydrophobicContact CE1-CG 3.62Å; Y68-R194 PolarHBondContact O-NE 2.72Å; Y68-R194 PolarHBondContact O-NH2 3.49Å
69W98.4Very high98Very high54 Ų5421 Ų2121%0.20512%0.123CC..EExtended strand (participates in β ladder)trans-104.8170.3173.7-71.220.1000110M14 L162 V164 A186 A189 Q193M14-W69 HydrophobicContact CE-CE3 3.95Å; M14-W69 HydrophobicContact CE-CZ3 4.17Å; M14-W69 HydrophobicContact SD-CB 4.05Å; M14-W69 HydrophobicContact SD-CD2 3.85Å; M14-W69 HydrophobicContact SD-CE3 3.27Å; M14-W69 HydrophobicContact SD-CG 4.21Å; M14-W69 HydrophobicContact SD-CZ3 3.93Å; W69-L162 HydrophobicContact CB-CB 3.97Å; W69-L162 PolarHBondContact N-O 2.8Å; W69-L162 PolarHBondContact O-N 2.81Å; W69-V164 HydrophobicContact CD2-CG2 3.63Å; W69-V164 HydrophobicContact CE3-CG2 4.3Å; W69-V164 HydrophobicContact CG-CG2 3.75Å; W69-V164 HydrophobicContact CZ2-CG2 4.05Å; W69-A186 PolarHBondContact NE1-O 2.94Å; W69-A189 HydrophobicContact CH2-CB 4.23Å; W69-A189 HydrophobicContact CZ2-CB 3.63Å; W69-Q193 HydrophobicContact CE3-CB 4.3Å; W69-Q193 HydrophobicContact CE3-CG 3.98Å; W69-Q193 HydrophobicContact CZ3-CG 4.48Å
70E97Very high98Very high8 Ų825.5 Ų25.54%0.03714%0.138CC..EExtended strand (participates in β ladder)trans-91.3124.7-178.3-173.563.8-103.900111.2H43 G72 Y159 L162 Q193 R194 V197H43-E70 IonicContact CD2-OE2 3.63Å; H43-E70 IonicContact CE1-OE2 3.5Å; H43-E70 IonicContact NE2-OE2 3.7Å; H43-E70 PolarHBondContact NE2-OE2 3.37Å; E70-G72 WeakPolarHBondContact OE1-CA 3.17Å; E70-G72 PolarHBondContact OE1-N 3.02Å; E70-Y159 WeakPolarHBondContact OE1-CE2 3.41Å; E70-Y159 PolarHBondContact OE1-OH 3.38Å; E70-Y159 WeakPolarHBondContact OE2-CE2 3.26Å; E70-Y159 PolarHBondContact OE2-OH 3.23Å; E70-L162 WeakPolarHBondContact O-CD1 3.2Å; E70-Q193 PolarHBondContact O-NE2 3.26Å; E70-R194 HydrophobicContact CB-CB 4.49Å; E70-R194 HydrophobicContact CB-CG 3.78Å; E70-V197 HydrophobicContact CB-CB 4.3Å; E70-V197 HydrophobicContact CB-CG1 4.48Å; E70-V197 HydrophobicContact CB-CG2 4.14Å; E70-V197 HydrophobicContact CG-CB 3.88Å; E70-V197 HydrophobicContact CG-CG1 3.59Å; E70-V197 HydrophobicContact CG-CG2 4.12Å
71N95.4Very high98Very high19 Ų1924.3 Ų24.310%0.10212%0.121CC..EExtended strand (participates in β ladder)trans-91-49.8156.7-152.7-5.2000109.6P136 N138 V139 S160 L162N71-P136 HydrophobicContact CB-CG 4.21Å; N71-P136 WeakPolarHBondContact O-CB 3.29Å; N71-N138 PolarHBondContact O-ND2 2.91Å; N71-N138 PolarHBondContact O-OD1 3.23Å; N71-V139 WeakPolarHBondContact OD1-CG2 3.31Å; N71-S160 WeakPolarHBondContact CA-O 3.21Å; N71-S160 WeakPolarHBondContact CB-O 3.48Å; N71-S160 PolarHBondContact N-O 3.49Å; N71-S160 VanDerWaalsContact N-O 3.07Å; N71-L162 HydrophobicContact CB-CD1 4.29Å; N71-L162 HydrophobicContact CB-CD2 4.1Å; N71-L162 HydrophobicContact CB-CG 3.83Å
72G96.3Very high98Very high3 Ų322.1 Ų22.13%0.03112%0.116CC..EExtended strand (participates in β ladder)trans135178.7177.300000113.6E70 S160E70-G72 WeakPolarHBondContact OE1-CA 3.17Å; E70-G72 PolarHBondContact OE1-N 3.02Å; G72-S160 PolarHBondContact N-O 3.47Å; G72-S160 PolarHBondContact O-N 2.94Å
73W97Very high98Very high25 Ų2521 Ų2110%0.09510%0.103CC..EExtended strand (participates in β ladder)trans-68.3137.3166.5-68.197.1000110.6F36 D38 T39 P136 H156 Y159F36-W73 HydrophobicContact CB-CH2 3.95Å; F36-W73 WeakPolarHBondContact O-CH2 3.32Å; D38-W73 VanDerWaalsContact C-CZ2 3.44Å; T39-W73 PolarHBondContact OG1-NE1 2.85Å; W73-P136 WeakPolarHBondContact O-CA 3.41Å; W73-H156 HydrophobicContact CB-CB 4.04Å; W73-H156 WeakPolarHBondContact CB-CD2 3.46Å; W73-H156 HydrophobicContact CD2-CB 4.02Å; W73-H156 HydrophobicContact CE3-CB 3.77Å; W73-H156 HydrophobicContact CG-CB 4.14Å; W73-H156 AromaticContact CG-CD2 3.85Å; W73-Y159 HydrophobicContact CD2-CD2 4.02Å; W73-Y159 AromaticContact CE2-CD2 3.82Å; W73-Y159 HydrophobicContact CE3-CD2 4.4Å; W73-Y159 HydrophobicContact CG-CD2 4.43Å; W73-Y159 HydrophobicContact CH2-CD2 4.43Å; W73-Y159 HydrophobicContact CZ2-CD2 4.01Å
74R97.4Very high98Very high2 Ų224.6 Ų24.61%0.00812%0.119CC..EExtended strand (participates in β ladder)trans-86.1130.5177.6-51.3-177.672.166.110.3109.7E134 P136 H156 H157 A158 S160R74-E134 WeakPolarHBondContact CB-OE2 3.26Å; R74-E134 IonicContact CZ-OE1 3.24Å; R74-E134 IonicContact CZ-OE2 2.71Å; R74-E134 IonicContact NE-OE1 3.64Å; R74-E134 PolarHBondContact NE-OE1 3.04Å; R74-E134 IonicContact NE-OE2 3.78Å; R74-E134 PolarHBondContact NE-OE2 3.07Å; R74-E134 PolarHBondContact NH2-O 3.34Å; R74-E134 IonicContact NH2-OE1 3.11Å; R74-E134 PolarHBondContact NH2-OE1 3.29Å; R74-E134 IonicContact NH2-OE2 2.8Å; R74-E134 PolarHBondContact NH2-OE2 3.49Å; R74-P136 HydrophobicContact CG-CG 4.25Å; R74-H156 WeakPolarHBondContact O-CA 3.23Å; R74-H156 PolarHBondContact O-N 3.09Å; R74-H157 PolarHBondContact O-CE1 3.43Å; R74-H157 PolarHBondContact O-N 3.3Å; R74-H157 PolarHBondContact O-ND1 2.96Å; R74-H157 VanDerWaalsContact O-ND1 3.1Å; R74-A158 HydrophobicContact CB-CB 4.41Å; R74-A158 HydrophobicContact CG-CB 4.29Å; R74-A158 PolarHBondContact N-O 3.46Å; R74-S160 WeakPolarHBondContact CD-OG 3.41Å; R74-S160 WeakPolarHBondContact CG-OG 3.41Å; R74-S160 PolarHBondContact NH1-OG 2.76Å
75D98.1Very high98Very high0 Ų024.9 Ų24.90%013%0.125CC..EExtended strand (participates in β ladder)trans-128.3151.8-177.3-69.1-54.8000112.1E134 H135 I137 L152 L154 T155 H156D75-E134 CarbonylContact O-C 3.41Å; D75-E134 WeakPolarHBondContact O-CA 3.37Å; D75-H135 PolarHBondContact N-O 2.82Å; D75-H135 PolarHBondContact O-N 3.5Å; D75-I137 HydrophobicContact CB-CG2 4.28Å; D75-L152 HydrophobicContact CB-CD1 3.85Å; D75-L154 WeakPolarHBondContact OD1-CA 3.33Å; D75-T155 PolarHBondContact OD1-N 3.4Å; D75-H156 WeakPolarHBondContact OD1-CA 3.32Å; D75-H156 IonicContact OD1-CD2 2.56Å; D75-H156 PolarHBondContact OD1-CD2 3.04Å; D75-H156 IonicContact OD1-CG 3.55Å; D75-H156 PolarHBondContact OD1-N 2.76Å; D75-H156 IonicContact OD1-NE2 3.81Å; D75-H156 IonicContact OD2-CD2 3.79Å; D75-H156 PolarHBondContact OD2-CD2 3.33Å; D75-H156 VanDerWaalsContact OD2-CD2 3.24Å; D75-H156 IonicContact OD2-NE2 3.74Å
76V98.7Very high97.9Very high0 Ų025.6 Ų25.60%013%0.129CC..EExtended strand (participates in β ladder)trans-87.8126-178.8175.80000109.3L89 I94 F106 Q133 E134 S153 T155V76-L89 HydrophobicContact CG1-CD2 4.11Å; V76-L89 HydrophobicContact CG2-CD2 4.46Å; V76-I94 HydrophobicContact CG1-CD1 4.3Å; V76-I94 HydrophobicContact CG2-CD1 4.31Å; V76-F106 HydrophobicContact CG2-CE1 3.93Å; V76-F106 HydrophobicContact CG2-CZ 3.88Å; V76-Q133 WeakPolarHBondContact CA-O 3.27Å; V76-E134 HydrophobicContact CG2-CB 4.3Å; V76-S153 PolarHBondContact N-O 2.82Å; V76-S153 PolarHBondContact O-N 3.03Å; V76-T155 HydrophobicContact CB-CG2 4.27Å; V76-T155 HydrophobicContact CG2-CG2 4.03Å; V76-T155 PolarHBondContact N-OG1 3.49Å
77T98.8Very high97.9Very high2 Ų228.8 Ų28.81%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-109.2147.2160.158.70000110.3A132 Q133 V140 Q149 F151 L152T77-A132 CarbonylContact O-C 3.28Å; T77-A132 WeakPolarHBondContact O-CA 3.49Å; T77-A132 VanDerWaalsContact O-CB 3.27Å; T77-A132 WeakPolarHBondContact O-CB 3.46Å; T77-Q133 PolarHBondContact N-O 3.23Å; T77-Q133 PolarHBondContact O-N 3.03Å; T77-Q133 VanDerWaalsContact O-O 3.11Å; T77-Q133 WeakPolarHBondContact OG1-CG 3.27Å; T77-Q133 PolarHBondContact OG1-NE2 2.92Å; T77-V140 HydrophobicContact CG2-CG1 3.85Å; T77-V140 HydrophobicContact CG2-CG2 4.36Å; T77-Q149 PolarHBondContact O-OE1 3.29Å; T77-Q149 VanDerWaalsContact O-OE1 3.06Å; T77-Q149 PolarHBondContact OG1-OE1 3.19Å; T77-F151 CarbonylContact C-O 3.57Å; T77-F151 WeakPolarHBondContact CA-O 3.37Å; T77-F151 WeakPolarHBondContact CB-O 3.43Å; T77-L152 HydrophobicContact CG2-CB 4.09Å; T77-L152 HydrophobicContact CG2-CD1 3.62Å; T77-L152 HydrophobicContact CG2-CG 4.44Å
78N98.8Very high97.9Very high1 Ų131.9 Ų31.91%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-150.7172.7174.383.690.8000112.6R80 A81 L92 D131 A132 Q149 K150 F151N78-R80 PolarHBondContact OD1-N 3.47Å; N78-A81 VanDerWaalsContact CG-O 3.25Å; N78-A81 PolarHBondContact ND2-O 3.36Å; N78-A81 PolarHBondContact OD1-N 2.94Å; N78-A81 PolarHBondContact OD1-O 2.76Å; N78-L92 HydrophobicContact CB-CD1 4.47Å; N78-D131 WeakPolarHBondContact CA-O 3.38Å; N78-A132 HydrophobicContact CB-CB 3.55Å; N78-Q149 VanDerWaalsContact N-OE1 3.13Å; N78-K150 PolarHBondContact O-N 2.79Å; N78-F151 PolarHBondContact N-O 3.31Å; N78-F151 PolarHBondContact O-N 3.33Å
79S98.2Very high97.9Very high12 Ų1231.8 Ų31.88%0.08417%0.172CC..SBendtrans-113.9-1.2-178.659.40000115.2R128 D131S79-R128 VanDerWaalsContact CB-CZ 3.42Å; S79-R128 PolarHBondContact OG-NH1 3.15Å; S79-D131 PolarHBondContact N-O 2.92Å; S79-D131 PolarHBondContact OG-O 2.99Å
80R97.9Very high97.9Very high158 Ų15837 Ų3760%0.59620%0.196SC*.SBendtrans-100.7-56.4-171.1-69.3-165.660.8-166.2-3.7113.2N78 L92 D131N78-R80 PolarHBondContact OD1-N 3.47Å; R80-L92 HydrophobicContact CB-CD2 4.16Å; R80-L92 HydrophobicContact CG-CD2 4.28Å; R80-D131 WeakPolarHBondContact CD-OD1 3.44Å; R80-D131 HydrophobicContact CG-CB 4.21Å
81A97.7Very high97.9Very high49 Ų4938.1 Ų38.141%0.40521%0.21SC..SBendtrans-159.5159.8-175.600000111.9N78N78-A81 VanDerWaalsContact CG-O 3.25Å; N78-A81 PolarHBondContact ND2-O 3.36Å; N78-A81 PolarHBondContact OD1-N 2.94Å; N78-A81 PolarHBondContact OD1-O 2.76Å
82P98.1Very high98.1Very high44 Ų4437.6 Ų37.629%0.28621%0.207SC..  trans-54139.1170.2-26.636.3000112.4F151 I216P82-F151 HydrophobicContact CB-CD1 4.38Å; P82-F151 HydrophobicContact CG-CD1 3.73Å; P82-F151 HydrophobicContact CG-CE1 3.63Å; P82-F151 HydrophobicContact CG-CZ 4.44Å; P82-I216 HydrophobicContact CB-CD1 4.01Å; P82-I216 HydrophobicContact CB-CG1 4.03Å
83V98.6Very high98.2Very high0 Ų042.1 Ų42.10%023%0.226CC..  trans-107.1111.4172170.90000108.7D88 L89 L92 S153 F224V83-D88 HydrophobicContact CB-CB 4.28Å; V83-D88 HydrophobicContact CG1-CB 4.3Å; V83-D88 HydrophobicContact CG2-CB 4.14Å; V83-L89 HydrophobicContact CG1-CD2 3.91Å; V83-L89 HydrophobicContact CG1-CG 3.96Å; V83-L89 HydrophobicContact CG2-CD2 3.91Å; V83-L92 HydrophobicContact CG2-CD1 4.37Å; V83-S153 WeakPolarHBondContact CB-OG 3.48Å; V83-S153 PolarHBondContact N-OG 2.89Å; V83-S153 VanDerWaalsContact O-CB 3.28Å; V83-S153 WeakPolarHBondContact O-CB 3.46Å; V83-S153 PolarHBondContact O-OG 3.4Å; V83-F224 HydrophobicContact CG1-CE1 4.19Å; V83-F224 HydrophobicContact CG1-CZ 3.81Å
84K98.4Very high98.2Very high77 Ų7740.9 Ų40.934%0.33522%0.221SC..  trans-115.7-24178.5-65.5-167.5178.2-158.80112.8D88 I216 D218 D220K84-D88 PolarHBondContact N-OD2 3.43Å; K84-I216 HydrophobicContact CG-CG2 3.87Å; K84-D218 IonicContact NZ-OD1 2.8Å; K84-D218 PolarHBondContact NZ-OD1 2.68Å; K84-D218 IonicContact NZ-OD2 3.31Å; K84-D218 PolarHBondContact NZ-OD2 3.49Å; K84-D220 PolarHBondContact O-N 3.35Å
85T98.2Very high98.3Very high52 Ų5241.4 Ų41.432%0.31922%0.223SC..SBendtrans-137.7165.1-179.569.90000110.6A87 D88 F224T85-A87 PolarHBondContact O-N 2.93Å; T85-A87 PolarHBondContact OG1-N 2.89Å; T85-D88 PolarHBondContact N-OD2 3.19Å; T85-D88 WeakPolarHBondContact O-CB 3.34Å; T85-D88 PolarHBondContact O-N 3.25Å; T85-D88 VanDerWaalsContact O-N 3.15Å; T85-D88 PolarHBondContact OG1-OD2 3.36Å; T85-D88 VanDerWaalsContact OG1-OD2 3.07Å; T85-F224 WeakPolarHBondContact O-CZ 3.4Å
86P97.7Very high98.2Very high17 Ų1741.4 Ų41.411%0.1122%0.223CC..G310 helixtrans-56.5-33174.9-2937.7000114D88 L89 F109 A223 F224 A227P86-D88 PolarHBondContact O-N 3.46Å; P86-L89 WeakPolarHBondContact O-CB 3.43Å; P86-L89 PolarHBondContact O-N 3.15Å; P86-L89 VanDerWaalsContact O-N 3.09Å; P86-F109 HydrophobicContact CB-CD1 3.9Å; P86-F109 HydrophobicContact CB-CG 4.46Å; P86-F109 HydrophobicContact CG-CD1 4.38Å; P86-A223 HydrophobicContact CG-CB 4.44Å; P86-A223 WeakPolarHBondContact CG-O 3.41Å; P86-F224 HydrophobicContact CB-CD1 4.28Å; P86-F224 HydrophobicContact CB-CE1 4.42Å; P86-F224 HydrophobicContact CG-CB 4.27Å; P86-F224 HydrophobicContact CG-CD1 3.72Å; P86-F224 HydrophobicContact CG-CD2 4.4Å; P86-F224 HydrophobicContact CG-CE1 4.11Å; P86-F224 HydrophobicContact CG-CG 3.87Å; P86-A227 HydrophobicContact CB-CB 4.19Å; P86-A227 HydrophobicContact CG-CB 3.9Å
87A97.8Very high97.7Very high73 Ų7341.8 Ų41.860%0.60323%0.225SC*.G310 helixtrans-63-26.9-178.900000112.9T85 L89 K90T85-A87 PolarHBondContact O-N 2.93Å; T85-A87 PolarHBondContact OG1-N 2.89Å; A87-L89 PolarHBondContact O-N 3.03Å; A87-K90 WeakPolarHBondContact O-CB 3.22Å; A87-K90 PolarHBondContact O-N 3.25Å
88D98.5Very high97.1Very high70 Ų7047.7 Ų47.737%0.37426%0.257SS..G310 helixtrans-71.9-17.9178.9-55.8-44.1000112.4V83 K84 T85 P86 K90V83-D88 HydrophobicContact CB-CB 4.28Å; V83-D88 HydrophobicContact CG1-CB 4.3Å; V83-D88 HydrophobicContact CG2-CB 4.14Å; K84-D88 PolarHBondContact N-OD2 3.43Å; T85-D88 PolarHBondContact N-OD2 3.19Å; T85-D88 WeakPolarHBondContact O-CB 3.34Å; T85-D88 PolarHBondContact O-N 3.25Å; T85-D88 VanDerWaalsContact O-N 3.15Å; T85-D88 PolarHBondContact OG1-OD2 3.36Å; T85-D88 VanDerWaalsContact OG1-OD2 3.07Å; P86-D88 PolarHBondContact O-N 3.46Å; D88-K90 VanDerWaalsContact C-N 3.3Å
89L98.4Very high96.7Very high1 Ų147.8 Ų47.81%0.00526%0.258CS..G310 helixtrans-80.5-12.1174.3-67.1173.5000112.8V76 V83 P86 A87 G91 L92 F106 F109 A111 F224V76-L89 HydrophobicContact CG1-CD2 4.11Å; V76-L89 HydrophobicContact CG2-CD2 4.46Å; V83-L89 HydrophobicContact CG1-CD2 3.91Å; V83-L89 HydrophobicContact CG1-CG 3.96Å; V83-L89 HydrophobicContact CG2-CD2 3.91Å; P86-L89 WeakPolarHBondContact O-CB 3.43Å; P86-L89 PolarHBondContact O-N 3.15Å; P86-L89 VanDerWaalsContact O-N 3.09Å; A87-L89 PolarHBondContact O-N 3.03Å; L89-G91 PolarHBondContact O-N 3.44Å; L89-L92 HydrophobicContact CD2-CD1 4.08Å; L89-L92 WeakPolarHBondContact O-CB 3.31Å; L89-L92 PolarHBondContact O-N 3.21Å; L89-L92 VanDerWaalsContact O-N 3.09Å; L89-F106 HydrophobicContact CD1-CD1 4.04Å; L89-F106 HydrophobicContact CD1-CE1 3.83Å; L89-F106 HydrophobicContact CD2-CE1 4.32Å; L89-F109 HydrophobicContact CB-CB 4.19Å; L89-F109 HydrophobicContact CD1-CB 3.75Å; L89-F109 HydrophobicContact CD1-CD2 3.62Å; L89-F109 HydrophobicContact CD1-CE2 4.49Å; L89-F109 HydrophobicContact CD1-CG 3.92Å; L89-A111 HydrophobicContact CB-CB 4.25Å; L89-A111 WeakPolarHBondContact O-CA 3.32Å; L89-A111 WeakPolarHBondContact O-CB 3.46Å; L89-F224 HydrophobicContact CD1-CD1 4.33Å; L89-F224 HydrophobicContact CD1-CE1 3.77Å; L89-F224 HydrophobicContact CG-CE1 4.44Å
90K98.3Very high96.5Very high164 Ų16449.8 Ų49.871%0.71327%0.27SS*.THydrogen-bonded Turntrans-59.5122.2-171.6-173.3176.4179177.30111.8A87 D88 L92 G110A87-K90 WeakPolarHBondContact O-CB 3.22Å; A87-K90 PolarHBondContact O-N 3.25Å; D88-K90 VanDerWaalsContact C-N 3.3Å; K90-L92 PolarHBondContact O-N 3.43Å; K90-G110 CarbonylContact C-O 3.55Å; K90-G110 WeakPolarHBondContact CA-O 3.14Å
91G98.1Very high96.4Very high32 Ų3242.3 Ų42.333%0.3324%0.242SC..THydrogen-bonded Turntrans77.3-4.4178.100000115.4L89 K93 G110 N112L89-G91 PolarHBondContact O-N 3.44Å; G91-K93 PolarHBondContact O-N 3.11Å; G91-G110 PolarHBondContact N-O 2.95Å; G91-N112 PolarHBondContact O-ND2 3.11Å; G91-N112 VanDerWaalsContact O-ND2 3.13Å
92L98.4Very high96.1Very high8 Ų840 Ų404%0.04222%0.223CC..  trans-62.8130.5173.7-66.8-174.6000110.1N78 R80 V83 L89 K90 I94 N112 D131 A132N78-L92 HydrophobicContact CB-CD1 4.47Å; R80-L92 HydrophobicContact CB-CD2 4.16Å; R80-L92 HydrophobicContact CG-CD2 4.28Å; V83-L92 HydrophobicContact CG2-CD1 4.37Å; L89-L92 HydrophobicContact CD2-CD1 4.08Å; L89-L92 WeakPolarHBondContact O-CB 3.31Å; L89-L92 PolarHBondContact O-N 3.21Å; L89-L92 VanDerWaalsContact O-N 3.09Å; K90-L92 PolarHBondContact O-N 3.43Å; L92-I94 PolarHBondContact O-N 2.97Å; L92-I94 VanDerWaalsContact O-N 3.07Å; L92-N112 PolarHBondContact O-N 3.29Å; L92-D131 HydrophobicContact CD2-CB 4.13Å; L92-A132 HydrophobicContact CD1-CB 4.37Å
93K98.6Very high96.1Very high97 Ų9739.4 Ų39.442%0.42222%0.217SC..EExtended strand (participates in β ladder)trans-75.491.8166.6-64.6176.8-172.5172.80108G91 N112 I114 T129 D131 A132G91-K93 PolarHBondContact O-N 3.11Å; K93-N112 WeakPolarHBondContact CA-O 3.31Å; K93-I114 HydrophobicContact CB-CD1 3.99Å; K93-I114 HydrophobicContact CG-CD1 4.3Å; K93-T129 WeakPolarHBondContact CD-O 3.43Å; K93-D131 PolarHBondContact N-OD2 2.79Å; K93-D131 PolarHBondContact O-N 3.24Å; K93-A132 PolarHBondContact O-N 3.18Å
94I98.8Very high96Very high0 Ų040 Ų400%022%0.222CC..EExtended strand (participates in β ladder)trans-98.4126.8-177.1-171.1169.7000110.4V76 L92 T96 F106 A111 N112 P113 I114 A132 E134V76-I94 HydrophobicContact CG1-CD1 4.3Å; V76-I94 HydrophobicContact CG2-CD1 4.31Å; L92-I94 PolarHBondContact O-N 2.97Å; L92-I94 VanDerWaalsContact O-N 3.07Å; I94-T96 HydrophobicContact CG2-CG2 4.49Å; I94-T96 PolarHBondContact O-N 3.26Å; I94-F106 HydrophobicContact CD1-CD1 3.67Å; I94-F106 HydrophobicContact CD1-CE1 3.31Å; I94-F106 HydrophobicContact CD1-CE2 4.26Å; I94-F106 HydrophobicContact CD1-CG 4.28Å; I94-F106 HydrophobicContact CD1-CZ 3.64Å; I94-F106 HydrophobicContact CG2-CB 4.04Å; I94-F106 HydrophobicContact CG2-CD1 3.94Å; I94-F106 HydrophobicContact CG2-CG 3.96Å; I94-A111 HydrophobicContact CG2-CB 3.78Å; I94-N112 PolarHBondContact N-O 3.24Å; I94-P113 HydrophobicContact CG2-CB 4.3Å; I94-P113 CarbonylContact O-C 3.42Å; I94-P113 WeakPolarHBondContact O-CA 3.32Å; I94-I114 PolarHBondContact O-N 3.06Å; I94-A132 CarbonylContact C-O 3.6Å; I94-A132 WeakPolarHBondContact CA-O 3.47Å; I94-A132 HydrophobicContact CB-CB 4.01Å; I94-A132 HydrophobicContact CD1-CB 4.24Å; I94-A132 HydrophobicContact CG1-CB 3.82Å; I94-E134 HydrophobicContact CD1-CB 4.31Å; I94-E134 HydrophobicContact CD1-CG 4.33Å
95R98.3Very high96Very high12 Ų1236.3 Ų36.35%0.04521%0.206CC..EExtended strand (participates in β ladder)trans-72.4126.9169-178.8-90.7177.5179.93110.1I114 M116 V121 I130 A132 Q133 H135R95-I114 WeakPolarHBondContact CA-O 3.31Å; R95-M116 HydrophobicContact CB-CG 4.44Å; R95-M116 HydrophobicContact CB-SD 4.43Å; R95-M116 HydrophobicContact CG-CE 4.39Å; R95-M116 HydrophobicContact CG-CG 3.36Å; R95-M116 HydrophobicContact CG-SD 3.85Å; R95-M116 PolarHBondContact NE-O 2.91Å; R95-M116 PolarHBondContact NH2-O 2.88Å; R95-V121 HydrophobicContact CG-CG2 3.9Å; R95-I130 HydrophobicContact CB-CD1 3.57Å; R95-I130 HydrophobicContact CB-CG2 4.44Å; R95-I130 HydrophobicContact CG-CD1 4.27Å; R95-A132 PolarHBondContact N-O 3.27Å; R95-Q133 HydrophobicContact CB-CB 4.09Å; R95-H135 PolarHBondContact NH1-CD2 3.11Å; R95-H135 VanDerWaalsContact NH1-CD2 3.26Å; R95-H135 PolarHBondContact NH1-NE2 3Å
96T95.6Very high96Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-111.8165.9168.764.80000110.3I94 I103 F106 P113 I114I94-T96 HydrophobicContact CG2-CG2 4.49Å; I94-T96 PolarHBondContact O-N 3.26Å; T96-I103 WeakPolarHBondContact OG1-CG1 3.16Å; T96-F106 HydrophobicContact CG2-CD2 3.77Å; T96-F106 HydrophobicContact CG2-CE2 4.45Å; T96-F106 HydrophobicContact CG2-CG 4.36Å; T96-P113 HydrophobicContact CG2-CB 3.56Å; T96-I114 PolarHBondContact N-O 3.24Å
97N88.3Confident96Very high8 Ų839.5 Ų39.54%0.04321%0.214CC..  trans-70.3-179159.369.76.3000111N18 S99 N102N18-N97 VanDerWaalsContact CG-ND2 3.34Å; N18-N97 PolarHBondContact ND2-ND2 3.1Å; N97-S99 PolarHBondContact O-N 3.35Å; N97-S99 WeakPolarHBondContact OD1-CB 3.38Å; N97-S99 PolarHBondContact OD1-N 2.91Å; N97-N102 PolarHBondContact ND2-ND2 2.7Å; N97-N102 PolarHBondContact OD1-ND2 3.06Å
98N87.8Confident96Very high126 Ų12638.6 Ų38.667%0.67420%0.201SC*.SBendtrans-76.45.9179.5-67.6-22.1000113.8P115N98-P115 WeakPolarHBondContact OD1-CB 3.21Å
99S89.9Confident96Very high4 Ų435.8 Ų35.83%0.02819%0.185CC..  trans-69.3124.1-177.7-175.20000110.4D31 N97 M101 N102 I103D31-S99 WeakPolarHBondContact CB-OG 3.47Å; D31-S99 WeakPolarHBondContact OD2-CB 3.49Å; D31-S99 PolarHBondContact OD2-OG 3.26Å; N97-S99 PolarHBondContact O-N 3.35Å; N97-S99 WeakPolarHBondContact OD1-CB 3.38Å; N97-S99 PolarHBondContact OD1-N 2.91Å; S99-M101 PolarHBondContact O-N 3.34Å; S99-N102 PolarHBondContact O-N 3.09Å; S99-I103 WeakPolarHBondContact O-CG1 3.14Å; S99-I103 PolarHBondContact O-N 3.49Å; S99-I103 VanDerWaalsContact O-N 3.08Å
100P93.3Very high96Very high53 Ų5337.3 Ų37.334%0.34420%0.201SC..Hα-helixtrans-60.2-31.3175.924.9-33.2000112A104P100-A104 VanDerWaalsContact O-CB 3.31Å; P100-A104 WeakPolarHBondContact O-CB 3.1Å; P100-A104 PolarHBondContact O-N 3.41Å
101M94.9Very high96Very high2 Ų229.8 Ų29.81%0.0117%0.169CC..Hα-helixtrans-66.7-47.8179.5-58-56.6107.900111.4N28 D31 V32 S99 A104 A105 V232 M235 F236N28-M101 HydrophobicContact CB-CG 4.33Å; D31-M101 HydrophobicContact CB-CB 4.1Å; D31-M101 HydrophobicContact CB-CG 4.35Å; D31-M101 VanDerWaalsContact O-CB 3.26Å; D31-M101 WeakPolarHBondContact O-CB 3.26Å; V32-M101 HydrophobicContact CG2-CG 4.32Å; V32-M101 HydrophobicContact CG2-SD 4.32Å; S99-M101 PolarHBondContact O-N 3.34Å; M101-A104 PolarHBondContact O-N 2.91Å; M101-A105 WeakPolarHBondContact O-CB 3.29Å; M101-A105 PolarHBondContact O-N 2.81Å; M101-V232 HydrophobicContact CB-CG1 3.87Å; M101-V232 HydrophobicContact CG-CG1 4.29Å; M101-V232 HydrophobicContact SD-CG1 3.63Å; M101-M235 HydrophobicContact CE-CG 4.11Å; M101-M235 HydrophobicContact CE-SD 4.17Å; M101-F236 HydrophobicContact SD-CB 3.79Å
102N93.4Very high96Very high0 Ų032.4 Ų32.40%018%0.176CC..Hα-helixtrans-64-43.2176.2-70.1-23.1000111.7D31 N97 S99 A104 A105 F106D31-N102 PolarHBondContact O-OD1 3.17Å; N97-N102 PolarHBondContact ND2-ND2 2.7Å; N97-N102 PolarHBondContact OD1-ND2 3.06Å; S99-N102 PolarHBondContact O-N 3.09Å; N102-A104 VanDerWaalsContact C-N 3.33Å; N102-A104 PolarHBondContact O-N 3.29Å; N102-A105 PolarHBondContact O-N 3.1Å; N102-F106 WeakPolarHBondContact O-CD2 3.15Å; N102-F106 PolarHBondContact O-N 3.12Å; N102-F106 VanDerWaalsContact O-N 3.11Å
103I96.6Very high96Very high32 Ų3233 Ų3316%0.16418%0.18CC..Hα-helixtrans-60.4-44.3176.9-68.2165.7000110.6T96 S99 K107 P113 P115T96-I103 WeakPolarHBondContact OG1-CG1 3.16Å; S99-I103 WeakPolarHBondContact O-CG1 3.14Å; S99-I103 PolarHBondContact O-N 3.49Å; S99-I103 VanDerWaalsContact O-N 3.08Å; I103-K107 HydrophobicContact CG2-CD 4.32Å; I103-K107 WeakPolarHBondContact O-CG 3.49Å; I103-K107 PolarHBondContact O-N 3.07Å; I103-K107 VanDerWaalsContact O-N 3.15Å; I103-P113 HydrophobicContact CG2-CB 4.45Å; I103-P113 HydrophobicContact CG2-CG 4Å; I103-P115 HydrophobicContact CD1-CB 4.33Å; I103-P115 HydrophobicContact CD1-CG 4.28Å
104A97.2Very high95.9Very high12 Ų1231.3 Ų31.310%0.09918%0.175CC..Hα-helixtrans-62.7-44.3177.700000111.4P100 M101 N102 F106 K107 V108 V232 M235P100-A104 VanDerWaalsContact O-CB 3.31Å; P100-A104 WeakPolarHBondContact O-CB 3.1Å; P100-A104 PolarHBondContact O-N 3.41Å; M101-A104 PolarHBondContact O-N 2.91Å; N102-A104 VanDerWaalsContact C-N 3.33Å; N102-A104 PolarHBondContact O-N 3.29Å; A104-F106 PolarHBondContact O-N 3.34Å; A104-K107 WeakPolarHBondContact O-CB 3.4Å; A104-K107 PolarHBondContact O-N 3.3Å; A104-V108 WeakPolarHBondContact O-CG2 3.45Å; A104-V108 PolarHBondContact O-N 3.18Å; A104-V232 HydrophobicContact CB-CG2 4.18Å; A104-M235 HydrophobicContact CB-CE 3.76Å; A104-M235 HydrophobicContact CB-SD 3.71Å
105A97.7Very high95.7Very high0 Ų034.3 Ų34.30%020%0.195CC..Hα-helixtrans-57.6-51.118000000112.4P33 M101 N102 K107 V108 F109 L228 V232P33-A105 HydrophobicContact CB-CB 4.48Å; P33-A105 HydrophobicContact CG-CB 3.51Å; M101-A105 WeakPolarHBondContact O-CB 3.29Å; M101-A105 PolarHBondContact O-N 2.81Å; N102-A105 PolarHBondContact O-N 3.1Å; A105-K107 VanDerWaalsContact C-N 3.32Å; A105-K107 PolarHBondContact O-N 3.49Å; A105-V108 WeakPolarHBondContact O-CB 3.19Å; A105-V108 PolarHBondContact O-N 3.33Å; A105-V108 VanDerWaalsContact O-N 3.13Å; A105-F109 HydrophobicContact CB-CE2 4.35Å; A105-F109 VanDerWaalsContact O-CD2 3.27Å; A105-F109 WeakPolarHBondContact O-CD2 3.14Å; A105-F109 WeakPolarHBondContact O-CG 3.47Å; A105-F109 PolarHBondContact O-N 2.95Å; A105-L228 HydrophobicContact CB-CD1 4.39Å; A105-L228 HydrophobicContact CB-CD2 3.98Å; A105-V232 HydrophobicContact CB-CG2 4.41Å
106F98.2Very high95.5Very high1 Ų135 Ų350%0.00420%0.199CC..Hα-helixtrans-68.2-29.3179.8-79.5-72.4000113.3V76 L89 I94 T96 N102 A104 F109 G110 A111 P113 E134 H157V76-F106 HydrophobicContact CG2-CE1 3.93Å; V76-F106 HydrophobicContact CG2-CZ 3.88Å; L89-F106 HydrophobicContact CD1-CD1 4.04Å; L89-F106 HydrophobicContact CD1-CE1 3.83Å; L89-F106 HydrophobicContact CD2-CE1 4.32Å; I94-F106 HydrophobicContact CD1-CD1 3.67Å; I94-F106 HydrophobicContact CD1-CE1 3.31Å; I94-F106 HydrophobicContact CD1-CE2 4.26Å; I94-F106 HydrophobicContact CD1-CG 4.28Å; I94-F106 HydrophobicContact CD1-CZ 3.64Å; I94-F106 HydrophobicContact CG2-CB 4.04Å; I94-F106 HydrophobicContact CG2-CD1 3.94Å; I94-F106 HydrophobicContact CG2-CG 3.96Å; T96-F106 HydrophobicContact CG2-CD2 3.77Å; T96-F106 HydrophobicContact CG2-CE2 4.45Å; T96-F106 HydrophobicContact CG2-CG 4.36Å; N102-F106 WeakPolarHBondContact O-CD2 3.15Å; N102-F106 PolarHBondContact O-N 3.12Å; N102-F106 VanDerWaalsContact O-N 3.11Å; A104-F106 PolarHBondContact O-N 3.34Å; F106-F109 HydrophobicContact CD1-CD2 4.02Å; F106-F109 HydrophobicContact CE1-CD2 4.3Å; F106-F109 PolarHBondContact O-N 3.21Å; F106-G110 PolarHBondContact O-N 3.09Å; F106-A111 HydrophobicContact CB-CB 4.23Å; F106-A111 HydrophobicContact CD1-CB 4.31Å; F106-A111 WeakPolarHBondContact O-CA 3.12Å; F106-A111 WeakPolarHBondContact O-CB 3.17Å; F106-A111 PolarHBondContact O-N 3.18Å; F106-P113 HydrophobicContact CB-CB 4.13Å; F106-P113 HydrophobicContact CB-CG 4.29Å; F106-E134 HydrophobicContact CE2-CB 4.38Å; F106-E134 HydrophobicContact CE2-CG 3.65Å; F106-E134 HydrophobicContact CZ-CB 4.12Å; F106-E134 HydrophobicContact CZ-CG 3.89Å; F106-H157 AromaticContact CE2-NE2 3.75Å; F106-H157 AromaticContact CZ-CE1 3.94Å; F106-H157 AromaticContact CZ-NE2 3.71Å
107K98.2Very high95.3Very high134 Ų13438.6 Ų38.658%0.58322%0.222SC*.Hα-helixtrans-64.7-42.1169.4-76.2177.5-178.1177.40112.1I103 A104 A105 F109 G110 P113I103-K107 HydrophobicContact CG2-CD 4.32Å; I103-K107 WeakPolarHBondContact O-CG 3.49Å; I103-K107 PolarHBondContact O-N 3.07Å; I103-K107 VanDerWaalsContact O-N 3.15Å; A104-K107 WeakPolarHBondContact O-CB 3.4Å; A104-K107 PolarHBondContact O-N 3.3Å; A105-K107 VanDerWaalsContact C-N 3.32Å; A105-K107 PolarHBondContact O-N 3.49Å; K107-F109 VanDerWaalsContact C-N 3.28Å; K107-F109 PolarHBondContact O-N 2.74Å; K107-G110 WeakPolarHBondContact O-CA 3.34Å; K107-G110 PolarHBondContact O-N 3.03Å; K107-P113 HydrophobicContact CD-CG 4.44Å; K107-P113 HydrophobicContact CG-CG 3.64Å
108V97.8Very high95.5Very high55 Ų5542.2 Ų42.233%0.33324%0.237SC..Hα-helixtrans-62.7-38.2176.6172.60000110.9A104 A105 G110 A227 L228 Q231A104-V108 WeakPolarHBondContact O-CG2 3.45Å; A104-V108 PolarHBondContact O-N 3.18Å; A105-V108 WeakPolarHBondContact O-CB 3.19Å; A105-V108 PolarHBondContact O-N 3.33Å; A105-V108 VanDerWaalsContact O-N 3.13Å; V108-G110 PolarHBondContact O-N 3.06Å; V108-G110 VanDerWaalsContact O-N 3.12Å; V108-A227 VanDerWaalsContact CG1-O 3.31Å; V108-A227 WeakPolarHBondContact CG1-O 3.39Å; V108-L228 HydrophobicContact CB-CD2 3.82Å; V108-L228 HydrophobicContact CG1-CD2 3.87Å; V108-L228 HydrophobicContact CG2-CD2 4.37Å; V108-Q231 VanDerWaalsContact CG1-OE1 3.31Å
109F98Very high95.8Very high11 Ų1140.7 Ų40.75%0.04824%0.242CC..THydrogen-bonded Turntrans-69.6-1.5172-55.5-34.6000114.3F34 P86 L89 A105 F106 K107 A111 F224 A227 L228F34-F109 HydrophobicContact CE2-CZ 4.42Å; P86-F109 HydrophobicContact CB-CD1 3.9Å; P86-F109 HydrophobicContact CB-CG 4.46Å; P86-F109 HydrophobicContact CG-CD1 4.38Å; L89-F109 HydrophobicContact CB-CB 4.19Å; L89-F109 HydrophobicContact CD1-CB 3.75Å; L89-F109 HydrophobicContact CD1-CD2 3.62Å; L89-F109 HydrophobicContact CD1-CE2 4.49Å; L89-F109 HydrophobicContact CD1-CG 3.92Å; A105-F109 HydrophobicContact CB-CE2 4.35Å; A105-F109 VanDerWaalsContact O-CD2 3.27Å; A105-F109 WeakPolarHBondContact O-CD2 3.14Å; A105-F109 WeakPolarHBondContact O-CG 3.47Å; A105-F109 PolarHBondContact O-N 2.95Å; F106-F109 HydrophobicContact CD1-CD2 4.02Å; F106-F109 HydrophobicContact CE1-CD2 4.3Å; F106-F109 PolarHBondContact O-N 3.21Å; K107-F109 VanDerWaalsContact C-N 3.28Å; K107-F109 PolarHBondContact O-N 2.74Å; F109-A111 VanDerWaalsContact C-N 3.28Å; F109-A111 PolarHBondContact O-N 2.97Å; F109-F224 HydrophobicContact CE1-CB 4.29Å; F109-F224 HydrophobicContact CE1-CD1 4.26Å; F109-F224 VanDerWaalsContact CE1-O 3.31Å; F109-F224 WeakPolarHBondContact CE1-O 3.5Å; F109-F224 HydrophobicContact CE2-CD1 4.25Å; F109-F224 HydrophobicContact CZ-CB 4.09Å; F109-F224 HydrophobicContact CZ-CD1 4.09Å; F109-A227 HydrophobicContact CD1-CB 4.34Å; F109-A227 HydrophobicContact CE1-CB 4.21Å; F109-L228 HydrophobicContact CD1-CD2 4.29Å; F109-L228 HydrophobicContact CE1-CD1 4.19Å; F109-L228 HydrophobicContact CE1-CD2 3.61Å; F109-L228 HydrophobicContact CE1-CG 3.52Å; F109-L228 HydrophobicContact CE2-CD2 4.38Å; F109-L228 HydrophobicContact CZ-CD1 3.65Å; F109-L228 HydrophobicContact CZ-CD2 3.66Å; F109-L228 HydrophobicContact CZ-CG 3.51Å
110G97.9Very high96.1Very high33 Ų3345.7 Ų45.734%0.3427%0.265SS..THydrogen-bonded Turntrans76.810.4-18000000114.4K90 G91 F106 K107 V108K90-G110 CarbonylContact C-O 3.55Å; K90-G110 WeakPolarHBondContact CA-O 3.14Å; G91-G110 PolarHBondContact N-O 2.95Å; F106-G110 PolarHBondContact O-N 3.09Å; K107-G110 WeakPolarHBondContact O-CA 3.34Å; K107-G110 PolarHBondContact O-N 3.03Å; V108-G110 PolarHBondContact O-N 3.06Å; V108-G110 VanDerWaalsContact O-N 3.12Å
111A98.5Very high96.3Very high5 Ų543.1 Ų43.14%0.04125%0.248CC..  trans-76.8169.3171.300000111.2L89 I94 F106 F109 P113L89-A111 HydrophobicContact CB-CB 4.25Å; L89-A111 WeakPolarHBondContact O-CA 3.32Å; L89-A111 WeakPolarHBondContact O-CB 3.46Å; I94-A111 HydrophobicContact CG2-CB 3.78Å; F106-A111 HydrophobicContact CB-CB 4.23Å; F106-A111 HydrophobicContact CD1-CB 4.31Å; F106-A111 WeakPolarHBondContact O-CA 3.12Å; F106-A111 WeakPolarHBondContact O-CB 3.17Å; F106-A111 PolarHBondContact O-N 3.18Å; F109-A111 VanDerWaalsContact C-N 3.28Å; F109-A111 PolarHBondContact O-N 2.97Å; A111-P113 WeakPolarHBondContact O-CD 3.4Å
112N98.2Very high96.4Very high87 Ų8746 Ų4647%0.46526%0.259SS..EExtended strand (participates in β ladder)trans-108.387174.7-63.6-48.8000109.1G91 L92 K93 I94G91-N112 PolarHBondContact O-ND2 3.11Å; G91-N112 VanDerWaalsContact O-ND2 3.13Å; L92-N112 PolarHBondContact O-N 3.29Å; K93-N112 WeakPolarHBondContact CA-O 3.31Å; I94-N112 PolarHBondContact N-O 3.24Å
113P98.1Very high96.7Very high21 Ų2149.6 Ų49.614%0.13628%0.282CS..EExtended strand (participates in β ladder)trans-70.4131.8-179.626.3-32.2000111.9I94 T96 I103 F106 K107 A111I94-P113 HydrophobicContact CG2-CB 4.3Å; I94-P113 CarbonylContact O-C 3.42Å; I94-P113 WeakPolarHBondContact O-CA 3.32Å; T96-P113 HydrophobicContact CG2-CB 3.56Å; I103-P113 HydrophobicContact CG2-CB 4.45Å; I103-P113 HydrophobicContact CG2-CG 4Å; F106-P113 HydrophobicContact CB-CB 4.13Å; F106-P113 HydrophobicContact CB-CG 4.29Å; K107-P113 HydrophobicContact CD-CG 4.44Å; K107-P113 HydrophobicContact CG-CG 3.64Å; A111-P113 WeakPolarHBondContact O-CD 3.4Å
114I97.8Very high96.8Very high62 Ų6248.3 Ų48.332%0.31828%0.277SS..EExtended strand (participates in β ladder)trans-123.1102.9179.2-59.4171.1000108.3K93 I94 R95 T96 M116 I130K93-I114 HydrophobicContact CB-CD1 3.99Å; K93-I114 HydrophobicContact CG-CD1 4.3Å; I94-I114 PolarHBondContact O-N 3.06Å; R95-I114 WeakPolarHBondContact CA-O 3.31Å; T96-I114 PolarHBondContact N-O 3.24Å; I114-M116 HydrophobicContact CB-CE 4.37Å; I114-M116 HydrophobicContact CG2-CE 3.67Å; I114-M116 PolarHBondContact O-N 2.78Å; I114-I130 HydrophobicContact CB-CG2 4.48Å; I114-I130 HydrophobicContact CD1-CG2 4.04Å
115P94.9Very high96.8Very high63 Ų6347.8 Ų47.841%0.40927%0.272SS..EExtended strand (participates in β ladder)trans-70.4126.617526.7-30.4000110.1N98 I103N98-P115 WeakPolarHBondContact OD1-CB 3.21Å; I103-P115 HydrophobicContact CD1-CB 4.33Å; I103-P115 HydrophobicContact CD1-CG 4.28Å
116M92.6Very high96.9Very high27 Ų2752.8 Ų52.813%0.13330%0.295CS..  trans-148.7155.9174.763.9179.56600112.1R95 I114 V121 I130R95-M116 HydrophobicContact CB-CG 4.44Å; R95-M116 HydrophobicContact CB-SD 4.43Å; R95-M116 HydrophobicContact CG-CE 4.39Å; R95-M116 HydrophobicContact CG-CG 3.36Å; R95-M116 HydrophobicContact CG-SD 3.85Å; R95-M116 PolarHBondContact NE-O 2.91Å; R95-M116 PolarHBondContact NH2-O 2.88Å; I114-M116 HydrophobicContact CB-CE 4.37Å; I114-M116 HydrophobicContact CG2-CE 3.67Å; I114-M116 PolarHBondContact O-N 2.78Å; M116-V121 HydrophobicContact CG-CG2 4.25Å; M116-V121 HydrophobicContact SD-CG2 4.38Å; M116-I130 HydrophobicContact CE-CD1 4.15Å; M116-I130 HydrophobicContact CE-CG2 3.51Å; M116-I130 HydrophobicContact SD-CD1 3.88Å
117P91.7Very high96.9Very high75 Ų7556.4 Ų56.449%0.48732%0.318SS..  trans-55.1141.5174.8-25.736.6000112.4A119 E120P117-A119 PolarHBondContact O-N 2.95Å; P117-E120 WeakPolarHBondContact CG-OE1 2.72Å; P117-E120 PolarHBondContact O-N 3.21Å; P117-E120 VanDerWaalsContact O-N 3.08Å
118F92.2Very high96.8Very high84 Ų8454.8 Ų54.837%0.36831%0.308SS..Hα-helixtrans-58.1-33.9-176.4-175.3-103.9000113.3E120 V121 H135 V139 A143 F145F118-E120 PolarHBondContact O-N 3.17Å; F118-V121 WeakPolarHBondContact O-CB 3.44Å; F118-V121 WeakPolarHBondContact O-CG2 3.29Å; F118-V121 PolarHBondContact O-N 2.85Å; F118-H135 AromaticContact CD2-NE2 3.59Å; F118-H135 AromaticContact CE2-CD2 3.88Å; F118-H135 AromaticContact CE2-NE2 3.67Å; F118-V139 HydrophobicContact CE1-CG1 4.39Å; F118-V139 HydrophobicContact CE2-CG1 3.56Å; F118-V139 HydrophobicContact CZ-CG1 3.34Å; F118-A143 HydrophobicContact CE1-CB 4.18Å; F118-A143 HydrophobicContact CZ-CB 3.73Å; F118-F145 AromaticContact CE2-CE2 3.84Å; F118-F145 HydrophobicContact CE2-CE2 3.84Å; F118-F145 AromaticContact CE2-CZ 3.75Å; F118-F145 HydrophobicContact CE2-CZ 3.75Å; F118-F145 HydrophobicContact CZ-CE2 4.15Å; F118-F145 AromaticContact CZ-CZ 3.83Å; F118-F145 HydrophobicContact CZ-CZ 3.83Å
119A93.9Very high96.8Very high93 Ų9356 Ų5677%0.76932%0.316SS*.Hα-helixtrans-65.1-22179.500000113.9P117P117-A119 PolarHBondContact O-N 2.95Å
120E96Very high96.8Very high109 Ų10955.6 Ų55.651%0.50931%0.314SS..Hα-helixtrans-89.7-12.7-179.7-65.6172.4-146.400112.5P117 F118 Y122 G124P117-E120 WeakPolarHBondContact CG-OE1 2.72Å; P117-E120 PolarHBondContact O-N 3.21Å; P117-E120 VanDerWaalsContact O-N 3.08Å; F118-E120 PolarHBondContact O-N 3.17Å; E120-Y122 PolarHBondContact O-N 2.76Å; E120-G124 PolarHBondContact O-N 2.91Å
121V98Very high96.9Very high0 Ų055 Ų550%030%0.303CS..Hα-helixtrans-65.5-45.1-169.7-179.30000111.8R95 M116 F118 T123 G124 L125 I130 Q133 F145R95-V121 HydrophobicContact CG-CG2 3.9Å; M116-V121 HydrophobicContact CG-CG2 4.25Å; M116-V121 HydrophobicContact SD-CG2 4.38Å; F118-V121 WeakPolarHBondContact O-CB 3.44Å; F118-V121 WeakPolarHBondContact O-CG2 3.29Å; F118-V121 PolarHBondContact O-N 2.85Å; V121-T123 PolarHBondContact O-N 2.99Å; V121-G124 PolarHBondContact O-N 3.4Å; V121-G124 VanDerWaalsContact O-N 3.16Å; V121-L125 HydrophobicContact CG1-CD1 3.8Å; V121-L125 HydrophobicContact CG1-CG 4.14Å; V121-L125 VanDerWaalsContact O-CG 3.26Å; V121-L125 WeakPolarHBondContact O-CG 3.29Å; V121-L125 PolarHBondContact O-N 3.34Å; V121-I130 HydrophobicContact CG1-CD1 4.17Å; V121-Q133 HydrophobicContact CG1-CB 4.08Å; V121-Q133 HydrophobicContact CG1-CG 4.21Å; V121-F145 HydrophobicContact CB-CE1 4.28Å; V121-F145 HydrophobicContact CB-CE2 4.47Å; V121-F145 HydrophobicContact CB-CZ 3.76Å; V121-F145 HydrophobicContact CG1-CE1 4.14Å; V121-F145 HydrophobicContact CG1-CE2 3.84Å; V121-F145 HydrophobicContact CG1-CZ 3.57Å
122Y98.5Very high96.9Very high61 Ų6154.8 Ų54.824%0.23930%0.301CS..Hα-helixtrans-55.8-54.9-179.8-176.1-80.7000110.8E120 G124 L125 E126 K144 F145 E147 V148E120-Y122 PolarHBondContact O-N 2.76Å; Y122-G124 VanDerWaalsContact C-N 3.28Å; Y122-G124 PolarHBondContact O-N 3.24Å; Y122-L125 PolarHBondContact O-N 2.93Å; Y122-E126 HydrophobicContact CE1-CB 4.35Å; Y122-E126 WeakPolarHBondContact O-CB 3.44Å; Y122-E126 PolarHBondContact O-N 3.49Å; Y122-K144 HydrophobicContact CE2-CB 4.28Å; Y122-F145 HydrophobicContact CD2-CD1 4.05Å; Y122-F145 HydrophobicContact CD2-CE1 4.42Å; Y122-E147 PolarHBondContact OH-OE2 3.09Å; Y122-V148 HydrophobicContact CD2-CG2 4.13Å; Y122-V148 HydrophobicContact CE1-CG1 3.98Å; Y122-V148 HydrophobicContact CE2-CG1 3.96Å; Y122-V148 HydrophobicContact CE2-CG2 4.03Å; Y122-V148 WeakPolarHBondContact OH-CG1 3.41Å
123T98.3Very high96.9Very high76 Ų7650.7 Ų50.747%0.46628%0.279SS..Hα-helixtrans-61.4-38.2178.5-56.20000111.3V121 L125 E126 T127V121-T123 PolarHBondContact O-N 2.99Å; T123-L125 PolarHBondContact O-N 3.4Å; T123-E126 PolarHBondContact O-N 3.24Å; T123-T127 HydrophobicContact CG2-CG2 4.07Å; T123-T127 WeakPolarHBondContact O-CB 3.37Å; T123-T127 VanDerWaalsContact O-CG2 3.29Å; T123-T127 WeakPolarHBondContact O-CG2 3.46Å; T123-T127 PolarHBondContact O-N 3.33Å; T123-T127 PolarHBondContact O-OG1 3.41Å
124G98.4Very high96.9Very high6 Ų649.7 Ų49.76%0.06227%0.273CS..Hα-helixtrans-60.4-42.7176.100000113.3E120 V121 Y122 T127 R128 T129 I130E120-G124 PolarHBondContact O-N 2.91Å; V121-G124 PolarHBondContact O-N 3.4Å; V121-G124 VanDerWaalsContact O-N 3.16Å; Y122-G124 VanDerWaalsContact C-N 3.28Å; Y122-G124 PolarHBondContact O-N 3.24Å; G124-T127 PolarHBondContact O-OG1 3.05Å; G124-R128 PolarHBondContact O-N 3.44Å; G124-R128 VanDerWaalsContact O-N 3.15Å; G124-T129 VanDerWaalsContact CA-OG1 3.23Å; G124-T129 WeakPolarHBondContact CA-OG1 3.5Å; G124-T129 PolarHBondContact O-N 2.63Å; G124-T129 PolarHBondContact O-OG1 2.8Å; G124-T129 VanDerWaalsContact O-OG1 3.11Å; G124-I130 WeakPolarHBondContact O-CG1 3.47Å; G124-I130 PolarHBondContact O-N 2.95Å
125L98.7Very high96.8Very high0 Ų047.7 Ų47.70%026%0.262CS..Hα-helixtrans-71.8-40.6177.2-63.3169000112V121 Y122 T123 R128 I130 Q133 F145 V148 Q149V121-L125 HydrophobicContact CG1-CD1 3.8Å; V121-L125 HydrophobicContact CG1-CG 4.14Å; V121-L125 VanDerWaalsContact O-CG 3.26Å; V121-L125 WeakPolarHBondContact O-CG 3.29Å; V121-L125 PolarHBondContact O-N 3.34Å; Y122-L125 PolarHBondContact O-N 2.93Å; T123-L125 PolarHBondContact O-N 3.4Å; L125-R128 WeakPolarHBondContact O-CD 3.5Å; L125-R128 PolarHBondContact O-N 2.78Å; L125-R128 PolarHBondContact O-NH1 3.32Å; L125-I130 HydrophobicContact CD2-CD1 3.65Å; L125-I130 HydrophobicContact CD2-CG1 3.79Å; L125-I130 HydrophobicContact CG-CD1 3.83Å; L125-I130 HydrophobicContact CG-CG1 4.15Å; L125-Q133 HydrophobicContact CD1-CB 4.47Å; L125-Q133 HydrophobicContact CD1-CG 3.88Å; L125-Q133 HydrophobicContact CD2-CB 4.3Å; L125-Q133 HydrophobicContact CD2-CG 4.41Å; L125-F145 HydrophobicContact CD1-CB 4.39Å; L125-F145 HydrophobicContact CD1-CD1 4.17Å; L125-F145 HydrophobicContact CD1-CD2 4.38Å; L125-F145 HydrophobicContact CD1-CG 4.06Å; L125-V148 HydrophobicContact CB-CB 4.26Å; L125-V148 HydrophobicContact CB-CG2 3.78Å; L125-V148 HydrophobicContact CD1-CG2 4.13Å; L125-Q149 HydrophobicContact CD1-CG 4Å
126E98.4Very high96.9Very high105 Ų10544.7 Ų44.749%0.49124%0.243SC..Hα-helixtrans-61.3-49.8177.6-175.1178.3-12100111.2Y122 T123 R128 V148Y122-E126 HydrophobicContact CE1-CB 4.35Å; Y122-E126 WeakPolarHBondContact O-CB 3.44Å; Y122-E126 PolarHBondContact O-N 3.49Å; T123-E126 PolarHBondContact O-N 3.24Å; E126-R128 PolarHBondContact O-N 3.03Å; E126-V148 HydrophobicContact CB-CG1 3.84Å; E126-V148 HydrophobicContact CG-CG1 4.16Å
127T98.2Very high97.2Very high77 Ų7743.4 Ų43.447%0.47224%0.236SC..THydrogen-bonded Turntrans-78.3-4.2-179.960.20000113.6T123 G124 T129T123-T127 HydrophobicContact CG2-CG2 4.07Å; T123-T127 WeakPolarHBondContact O-CB 3.37Å; T123-T127 VanDerWaalsContact O-CG2 3.29Å; T123-T127 WeakPolarHBondContact O-CG2 3.46Å; T123-T127 PolarHBondContact O-N 3.33Å; T123-T127 PolarHBondContact O-OG1 3.41Å; G124-T127 PolarHBondContact O-OG1 3.05Å; T127-T129 PolarHBondContact O-N 2.71Å; T127-T129 PolarHBondContact OG1-OG1 3.32Å
128R96.8Very high97.4Very high100 Ų10041.7 Ų41.738%0.37722%0.223SC..THydrogen-bonded Turntrans59.326.9-177.4-50.2-65.2-179.8-150.14.7113.9S79 G124 L125 E126 V148S79-R128 VanDerWaalsContact CB-CZ 3.42Å; S79-R128 PolarHBondContact OG-NH1 3.15Å; G124-R128 PolarHBondContact O-N 3.44Å; G124-R128 VanDerWaalsContact O-N 3.15Å; L125-R128 WeakPolarHBondContact O-CD 3.5Å; L125-R128 PolarHBondContact O-N 2.78Å; L125-R128 PolarHBondContact O-NH1 3.32Å; E126-R128 PolarHBondContact O-N 3.03Å; R128-V148 PolarHBondContact NH1-O 2.99Å
129T97.9Very high97.6Very high82 Ų8238.6 Ų38.650%0.50321%0.211SC..SBendtrans-70.2-29.3168.353.70000111K93 G124 T127K93-T129 WeakPolarHBondContact CD-O 3.43Å; G124-T129 VanDerWaalsContact CA-OG1 3.23Å; G124-T129 WeakPolarHBondContact CA-OG1 3.5Å; G124-T129 PolarHBondContact O-N 2.63Å; G124-T129 PolarHBondContact O-OG1 2.8Å; G124-T129 VanDerWaalsContact O-OG1 3.11Å; T127-T129 PolarHBondContact O-N 2.71Å; T127-T129 PolarHBondContact OG1-OG1 3.32Å
130I98.6Very high97.8Very high1 Ų134.2 Ų34.21%0.00518%0.175CC..SBendtrans-119.2145.1163.648.1170.9000109.9R95 I114 M116 V121 G124 L125R95-I130 HydrophobicContact CB-CD1 3.57Å; R95-I130 HydrophobicContact CB-CG2 4.44Å; R95-I130 HydrophobicContact CG-CD1 4.27Å; I114-I130 HydrophobicContact CB-CG2 4.48Å; I114-I130 HydrophobicContact CD1-CG2 4.04Å; M116-I130 HydrophobicContact CE-CD1 4.15Å; M116-I130 HydrophobicContact CE-CG2 3.51Å; M116-I130 HydrophobicContact SD-CD1 3.88Å; V121-I130 HydrophobicContact CG1-CD1 4.17Å; G124-I130 WeakPolarHBondContact O-CG1 3.47Å; G124-I130 PolarHBondContact O-N 2.95Å; L125-I130 HydrophobicContact CD2-CD1 3.65Å; L125-I130 HydrophobicContact CD2-CG1 3.79Å; L125-I130 HydrophobicContact CG-CD1 3.83Å; L125-I130 HydrophobicContact CG-CG1 4.15Å
131D98.7Very high97.9Very high22 Ų2233.4 Ų33.412%0.11817%0.167CC..SBendtrans-88.4-32.5-178.7-61.7-54000112.2N78 S79 R80 L92 K93N78-D131 WeakPolarHBondContact CA-O 3.38Å; S79-D131 PolarHBondContact N-O 2.92Å; S79-D131 PolarHBondContact OG-O 2.99Å; R80-D131 WeakPolarHBondContact CD-OD1 3.44Å; R80-D131 HydrophobicContact CG-CB 4.21Å; L92-D131 HydrophobicContact CD2-CB 4.13Å; K93-D131 PolarHBondContact N-OD2 2.79Å; K93-D131 PolarHBondContact O-N 3.24Å
132A98.8Very high97.8Very high0 Ų037.8 Ų37.80%020%0.197CC..EExtended strand (participates in β ladder)trans-144.7160.8-165.600000111.2T77 N78 L92 K93 I94 R95T77-A132 CarbonylContact O-C 3.28Å; T77-A132 WeakPolarHBondContact O-CA 3.49Å; T77-A132 VanDerWaalsContact O-CB 3.27Å; T77-A132 WeakPolarHBondContact O-CB 3.46Å; N78-A132 HydrophobicContact CB-CB 3.55Å; L92-A132 HydrophobicContact CD1-CB 4.37Å; K93-A132 PolarHBondContact O-N 3.18Å; I94-A132 CarbonylContact C-O 3.6Å; I94-A132 WeakPolarHBondContact CA-O 3.47Å; I94-A132 HydrophobicContact CB-CB 4.01Å; I94-A132 HydrophobicContact CD1-CB 4.24Å; I94-A132 HydrophobicContact CG1-CB 3.82Å; R95-A132 PolarHBondContact N-O 3.27Å
133Q98.6Very high97.8Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-144.2171.3165.471.181.456.700109.7V76 T77 R95 V121 L125 H135 F145V76-Q133 WeakPolarHBondContact CA-O 3.27Å; T77-Q133 PolarHBondContact N-O 3.23Å; T77-Q133 PolarHBondContact O-N 3.03Å; T77-Q133 VanDerWaalsContact O-O 3.11Å; T77-Q133 WeakPolarHBondContact OG1-CG 3.27Å; T77-Q133 PolarHBondContact OG1-NE2 2.92Å; R95-Q133 HydrophobicContact CB-CB 4.09Å; V121-Q133 HydrophobicContact CG1-CB 4.08Å; V121-Q133 HydrophobicContact CG1-CG 4.21Å; L125-Q133 HydrophobicContact CD1-CB 4.47Å; L125-Q133 HydrophobicContact CD1-CG 3.88Å; L125-Q133 HydrophobicContact CD2-CB 4.3Å; L125-Q133 HydrophobicContact CD2-CG 4.41Å; Q133-H135 PolarHBondContact OE1-CD2 3.29Å; Q133-F145 HydrophobicContact CG-CD2 3.95Å; Q133-F145 HydrophobicContact CG-CE2 4.19Å
134E97.9Very high97.8Very high0 Ų037.6 Ų37.60%020%0.196CC..EExtended strand (participates in β ladder)trans-133.6133173.560.178-147.300111.9R74 D75 V76 I94 F106 H157R74-E134 WeakPolarHBondContact CB-OE2 3.26Å; R74-E134 IonicContact CZ-OE1 3.24Å; R74-E134 IonicContact CZ-OE2 2.71Å; R74-E134 IonicContact NE-OE1 3.64Å; R74-E134 PolarHBondContact NE-OE1 3.04Å; R74-E134 IonicContact NE-OE2 3.78Å; R74-E134 PolarHBondContact NE-OE2 3.07Å; R74-E134 PolarHBondContact NH2-O 3.34Å; R74-E134 IonicContact NH2-OE1 3.11Å; R74-E134 PolarHBondContact NH2-OE1 3.29Å; R74-E134 IonicContact NH2-OE2 2.8Å; R74-E134 PolarHBondContact NH2-OE2 3.49Å; D75-E134 CarbonylContact O-C 3.41Å; D75-E134 WeakPolarHBondContact O-CA 3.37Å; V76-E134 HydrophobicContact CG2-CB 4.3Å; I94-E134 HydrophobicContact CD1-CB 4.31Å; I94-E134 HydrophobicContact CD1-CG 4.33Å; F106-E134 HydrophobicContact CE2-CB 4.38Å; F106-E134 HydrophobicContact CE2-CG 3.65Å; F106-E134 HydrophobicContact CZ-CB 4.12Å; F106-E134 HydrophobicContact CZ-CG 3.89Å; E134-H157 IonicContact OE2-CE1 2.63Å; E134-H157 IonicContact OE2-NE2 3.93Å; E134-H157 PolarHBondContact OE2-NE2 3.09Å
135H96.6Very high97.8Very high20 Ų2037.5 Ų37.59%0.09319%0.194CC..EExtended strand (participates in β ladder)trans-167.8165.4178.6-106.4-80.5000111.6D75 R95 F118 Q133 V139 V140D75-H135 PolarHBondContact N-O 2.82Å; D75-H135 PolarHBondContact O-N 3.5Å; R95-H135 PolarHBondContact NH1-CD2 3.11Å; R95-H135 VanDerWaalsContact NH1-CD2 3.26Å; R95-H135 PolarHBondContact NH1-NE2 3Å; F118-H135 AromaticContact CD2-NE2 3.59Å; F118-H135 AromaticContact CE2-CD2 3.88Å; F118-H135 AromaticContact CE2-NE2 3.67Å; Q133-H135 PolarHBondContact OE1-CD2 3.29Å; H135-V139 HydrophobicContact CB-CB 4.26Å; H135-V139 HydrophobicContact CB-CG1 4.31Å; H135-V140 HydrophobicContact CB-CG2 4.02Å
136P96.8Very high97.8Very high0 Ų039.2 Ų39.20%020%0.201CC..EExtended strand (participates in β ladder)trans-58.1141.1165-25.638.6000113.3N71 W73 R74 N138 V139 V140N71-P136 HydrophobicContact CB-CG 4.21Å; N71-P136 WeakPolarHBondContact O-CB 3.29Å; W73-P136 WeakPolarHBondContact O-CA 3.41Å; R74-P136 HydrophobicContact CG-CG 4.25Å; P136-N138 WeakPolarHBondContact CB-OD1 3.36Å; P136-N138 PolarHBondContact O-N 3.33Å; P136-V139 HydrophobicContact CB-CG2 4.37Å; P136-V139 WeakPolarHBondContact O-CA 3.13Å; P136-V139 VanDerWaalsContact O-CB 3.32Å; P136-V139 WeakPolarHBondContact O-CB 3.2Å; P136-V139 PolarHBondContact O-N 3.17Å; P136-V140 PolarHBondContact O-N 3.01Å
137I97.6Very high97.8Very high1 Ų139.1 Ų39.11%0.00520%0.201CC..Hα-helixtrans-63.7-28.6-169.965.5168.3000113.4D75 V139 V140 W141 L152 L154 Q201 I204 I205 M208D75-I137 HydrophobicContact CB-CG2 4.28Å; I137-V139 VanDerWaalsContact C-N 3.31Å; I137-V139 PolarHBondContact O-N 2.92Å; I137-V140 PolarHBondContact O-N 2.96Å; I137-W141 VanDerWaalsContact O-CB 3.27Å; I137-W141 WeakPolarHBondContact O-CB 3.32Å; I137-W141 PolarHBondContact O-N 2.94Å; I137-L152 HydrophobicContact CG2-CD1 4.14Å; I137-L152 HydrophobicContact CG2-CD2 4.07Å; I137-L154 HydrophobicContact CG2-CD2 4.24Å; I137-Q201 HydrophobicContact CD1-CB 4.36Å; I137-Q201 VanDerWaalsContact CG1-OE1 3.3Å; I137-I204 HydrophobicContact CB-CG2 4.19Å; I137-I204 HydrophobicContact CD1-CB 4.24Å; I137-I204 HydrophobicContact CD1-CG2 4Å; I137-I204 HydrophobicContact CG1-CG2 4.1Å; I137-I205 HydrophobicContact CD1-CD1 4.13Å; I137-I205 HydrophobicContact CD1-CG1 3.78Å; I137-M208 HydrophobicContact CB-CE 4.44Å; I137-M208 WeakPolarHBondContact O-CE 3.49Å
138N96.6Very high97.8Very high38 Ų3835.9 Ų35.920%0.20318%0.181CC..Hα-helixtrans-65.3-33.3171.560.2-48.3000112.3N71 P136 S142 I204N71-N138 PolarHBondContact O-ND2 2.91Å; N71-N138 PolarHBondContact O-OD1 3.23Å; P136-N138 WeakPolarHBondContact CB-OD1 3.36Å; P136-N138 PolarHBondContact O-N 3.33Å; N138-S142 WeakPolarHBondContact O-CB 3.29Å; N138-S142 PolarHBondContact O-N 3.16Å; N138-S142 PolarHBondContact O-OG 3.31Å; N138-I204 HydrophobicContact CB-CD1 3.83Å
139V96.5Very high97.9Very high20 Ų2031.5 Ų31.512%0.12117%0.165CC..Hα-helixtrans-72.7-44.2172.9179.90000110.2N71 F118 H135 P136 I137 W141 S142 A143N71-V139 WeakPolarHBondContact OD1-CG2 3.31Å; F118-V139 HydrophobicContact CE1-CG1 4.39Å; F118-V139 HydrophobicContact CE2-CG1 3.56Å; F118-V139 HydrophobicContact CZ-CG1 3.34Å; H135-V139 HydrophobicContact CB-CB 4.26Å; H135-V139 HydrophobicContact CB-CG1 4.31Å; P136-V139 HydrophobicContact CB-CG2 4.37Å; P136-V139 WeakPolarHBondContact O-CA 3.13Å; P136-V139 VanDerWaalsContact O-CB 3.32Å; P136-V139 WeakPolarHBondContact O-CB 3.2Å; P136-V139 PolarHBondContact O-N 3.17Å; I137-V139 VanDerWaalsContact C-N 3.31Å; I137-V139 PolarHBondContact O-N 2.92Å; V139-W141 VanDerWaalsContact C-N 3.26Å; V139-W141 PolarHBondContact O-N 2.79Å; V139-S142 PolarHBondContact O-N 3.07Å; V139-S142 PolarHBondContact O-OG 3.07Å; V139-A143 WeakPolarHBondContact O-CB 3.4Å; V139-A143 PolarHBondContact O-N 2.92Å
140V98.1Very high98Very high1 Ų133.2 Ų33.21%0.00617%0.165CC..Hα-helixtrans-56.9-42.4174.2177.50000110.9T77 H135 P136 I137 K144 F145 M208T77-V140 HydrophobicContact CG2-CG1 3.85Å; T77-V140 HydrophobicContact CG2-CG2 4.36Å; H135-V140 HydrophobicContact CB-CG2 4.02Å; P136-V140 PolarHBondContact O-N 3.01Å; I137-V140 PolarHBondContact O-N 2.96Å; V140-K144 PolarHBondContact O-N 2.89Å; V140-F145 HydrophobicContact CG1-CB 3.82Å; V140-F145 HydrophobicContact CG2-CD2 4.45Å; V140-F145 PolarHBondContact O-N 3.21Å; V140-M208 HydrophobicContact CB-CE 3.72Å; V140-M208 HydrophobicContact CG1-CE 3.43Å; V140-M208 VanDerWaalsContact CG1-CE 3.43Å; V140-M208 HydrophobicContact CG1-SD 4.29Å
141W98Very high98Very high92 Ų9234.4 Ų34.435%0.34817%0.171SC..Hα-helixtrans-66.5-56.7177.6-176-107000112.5I137 V139 A143 K144 F146 I204 M208I137-W141 VanDerWaalsContact O-CB 3.27Å; I137-W141 WeakPolarHBondContact O-CB 3.32Å; I137-W141 PolarHBondContact O-N 2.94Å; V139-W141 VanDerWaalsContact C-N 3.26Å; V139-W141 PolarHBondContact O-N 2.79Å; W141-A143 VanDerWaalsContact C-N 3.28Å; W141-A143 PolarHBondContact O-N 2.92Å; W141-K144 WeakPolarHBondContact O-CA 3.45Å; W141-K144 PolarHBondContact O-N 3.49Å; W141-F146 HydrophobicContact CD2-CD1 4.32Å; W141-F146 HydrophobicContact CD2-CE1 4.06Å; W141-F146 AromaticContact CE3-CD1 3.59Å; W141-F146 HydrophobicContact CE3-CD1 3.59Å; W141-F146 AromaticContact CE3-CE1 3.66Å; W141-F146 HydrophobicContact CE3-CE1 3.66Å; W141-F146 HydrophobicContact CE3-CG 4.33Å; W141-F146 HydrophobicContact CE3-CZ 4.47Å; W141-F146 HydrophobicContact CH2-CE1 4.46Å; W141-F146 AromaticContact CZ3-CD1 3.91Å; W141-F146 HydrophobicContact CZ3-CD1 3.91Å; W141-F146 AromaticContact CZ3-CE1 3.87Å; W141-F146 HydrophobicContact CZ3-CE1 3.87Å; W141-F146 HydrophobicContact CZ3-CG 4.3Å; W141-F146 HydrophobicContact CZ3-CZ 4.26Å; W141-F146 WeakPolarHBondContact O-CE1 3.48Å; W141-I204 HydrophobicContact CB-CG1 4.33Å; W141-I204 HydrophobicContact CB-CG2 3.7Å; W141-I204 HydrophobicContact CD2-CG2 4.24Å; W141-I204 HydrophobicContact CE3-CG2 4.32Å; W141-I204 HydrophobicContact CG-CG1 4.1Å; W141-I204 HydrophobicContact CG-CG2 4Å; W141-M208 HydrophobicContact CB-CE 3.97Å; W141-M208 HydrophobicContact CE3-CE 4.24Å; W141-M208 HydrophobicContact CE3-CG 3.74Å; W141-M208 HydrophobicContact CZ3-CG 3.98Å
142S97.1Very high98Very high91 Ų9133.4 Ų33.464%0.63617%0.165SC*.Hα-helixtrans-64.8-31.4-177.255.60000113.2N138 V139 K144N138-S142 WeakPolarHBondContact O-CB 3.29Å; N138-S142 PolarHBondContact O-N 3.16Å; N138-S142 PolarHBondContact O-OG 3.31Å; V139-S142 PolarHBondContact O-N 3.07Å; V139-S142 PolarHBondContact O-OG 3.07Å; S142-K144 VanDerWaalsContact C-N 3.26Å; S142-K144 PolarHBondContact O-N 2.92Å
143A98Very high98Very high24 Ų2433.4 Ų33.420%0.19817%0.165CC..THydrogen-bonded Turntrans-84.63.7173.900000113.7F118 V139 W141 F145F118-A143 HydrophobicContact CE1-CB 4.18Å; F118-A143 HydrophobicContact CZ-CB 3.73Å; V139-A143 WeakPolarHBondContact O-CB 3.4Å; V139-A143 PolarHBondContact O-N 2.92Å; W141-A143 VanDerWaalsContact C-N 3.28Å; W141-A143 PolarHBondContact O-N 2.92Å; A143-F145 HydrophobicContact CB-CD1 3.96Å; A143-F145 HydrophobicContact CB-CD2 4.46Å; A143-F145 HydrophobicContact CB-CE1 3.64Å; A143-F145 HydrophobicContact CB-CE2 4.19Å; A143-F145 HydrophobicContact CB-CG 4.35Å; A143-F145 HydrophobicContact CB-CZ 3.76Å; A143-F145 WeakPolarHBondContact O-CD1 3.43Å; A143-F145 PolarHBondContact O-N 2.77Å
144K98.3Very high97.9Very high110 Ų11034.4 Ų34.448%0.47817%0.17SC..THydrogen-bonded Turntrans58.826.1177.2-56.9179.8163.8-152.30115.1Y122 V140 W141 S142 F146 E147Y122-K144 HydrophobicContact CE2-CB 4.28Å; V140-K144 PolarHBondContact O-N 2.89Å; W141-K144 WeakPolarHBondContact O-CA 3.45Å; W141-K144 PolarHBondContact O-N 3.49Å; S142-K144 VanDerWaalsContact C-N 3.26Å; S142-K144 PolarHBondContact O-N 2.92Å; K144-F146 HydrophobicContact CB-CE1 4.2Å; K144-F146 HydrophobicContact CB-CZ 4.37Å; K144-F146 HydrophobicContact CG-CE1 4.28Å; K144-F146 HydrophobicContact CG-CZ 4.34Å; K144-F146 PolarHBondContact O-N 2.82Å; K144-F146 VanDerWaalsContact O-N 3.08Å; K144-E147 HydrophobicContact CB-CG 4.22Å; K144-E147 IonicContact NZ-OE1 3.74Å; K144-E147 WeakPolarHBondContact O-CB 2.94Å; K144-E147 PolarHBondContact O-N 3.14Å
145F98.7Very high97.9Very high3 Ų334.4 Ų34.41%0.01317%0.171CC..G310 helixtrans-63.7-18.9179.2-65.5-14.9000112.7F118 V121 Y122 L125 Q133 V140 A143 E147 V148 Q149F118-F145 AromaticContact CE2-CE2 3.84Å; F118-F145 HydrophobicContact CE2-CE2 3.84Å; F118-F145 AromaticContact CE2-CZ 3.75Å; F118-F145 HydrophobicContact CE2-CZ 3.75Å; F118-F145 HydrophobicContact CZ-CE2 4.15Å; F118-F145 AromaticContact CZ-CZ 3.83Å; F118-F145 HydrophobicContact CZ-CZ 3.83Å; V121-F145 HydrophobicContact CB-CE1 4.28Å; V121-F145 HydrophobicContact CB-CE2 4.47Å; V121-F145 HydrophobicContact CB-CZ 3.76Å; V121-F145 HydrophobicContact CG1-CE1 4.14Å; V121-F145 HydrophobicContact CG1-CE2 3.84Å; V121-F145 HydrophobicContact CG1-CZ 3.57Å; Y122-F145 HydrophobicContact CD2-CD1 4.05Å; Y122-F145 HydrophobicContact CD2-CE1 4.42Å; L125-F145 HydrophobicContact CD1-CB 4.39Å; L125-F145 HydrophobicContact CD1-CD1 4.17Å; L125-F145 HydrophobicContact CD1-CD2 4.38Å; L125-F145 HydrophobicContact CD1-CG 4.06Å; Q133-F145 HydrophobicContact CG-CD2 3.95Å; Q133-F145 HydrophobicContact CG-CE2 4.19Å; V140-F145 HydrophobicContact CG1-CB 3.82Å; V140-F145 HydrophobicContact CG2-CD2 4.45Å; V140-F145 PolarHBondContact O-N 3.21Å; A143-F145 HydrophobicContact CB-CD1 3.96Å; A143-F145 HydrophobicContact CB-CD2 4.46Å; A143-F145 HydrophobicContact CB-CE1 3.64Å; A143-F145 HydrophobicContact CB-CE2 4.19Å; A143-F145 HydrophobicContact CB-CG 4.35Å; A143-F145 HydrophobicContact CB-CZ 3.76Å; A143-F145 WeakPolarHBondContact O-CD1 3.43Å; A143-F145 PolarHBondContact O-N 2.77Å; F145-E147 PolarHBondContact O-N 3.41Å; F145-V148 CarbonylContact O-C 3.59Å; F145-V148 WeakPolarHBondContact O-CG2 3.3Å; F145-V148 PolarHBondContact O-N 2.85Å; F145-V148 VanDerWaalsContact O-N 3.07Å; F145-Q149 HydrophobicContact CB-CG 4.39Å; F145-Q149 VanDerWaalsContact O-CB 3.25Å; F145-Q149 WeakPolarHBondContact O-CB 3.34Å; F145-Q149 VanDerWaalsContact O-CG 3.24Å; F145-Q149 WeakPolarHBondContact O-CG 3.45Å; F145-Q149 PolarHBondContact O-N 2.87Å
146F98.2Very high97.9Very high37 Ų3735.4 Ų35.416%0.16218%0.175CC..G310 helixtrans-60.8-22.9170.964.3-97.4000113.4W141 K144 V148 M208 A211 V213W141-F146 HydrophobicContact CD2-CD1 4.32Å; W141-F146 HydrophobicContact CD2-CE1 4.06Å; W141-F146 AromaticContact CE3-CD1 3.59Å; W141-F146 HydrophobicContact CE3-CD1 3.59Å; W141-F146 AromaticContact CE3-CE1 3.66Å; W141-F146 HydrophobicContact CE3-CE1 3.66Å; W141-F146 HydrophobicContact CE3-CG 4.33Å; W141-F146 HydrophobicContact CE3-CZ 4.47Å; W141-F146 HydrophobicContact CH2-CE1 4.46Å; W141-F146 AromaticContact CZ3-CD1 3.91Å; W141-F146 HydrophobicContact CZ3-CD1 3.91Å; W141-F146 AromaticContact CZ3-CE1 3.87Å; W141-F146 HydrophobicContact CZ3-CE1 3.87Å; W141-F146 HydrophobicContact CZ3-CG 4.3Å; W141-F146 HydrophobicContact CZ3-CZ 4.26Å; W141-F146 WeakPolarHBondContact O-CE1 3.48Å; K144-F146 HydrophobicContact CB-CE1 4.2Å; K144-F146 HydrophobicContact CB-CZ 4.37Å; K144-F146 HydrophobicContact CG-CE1 4.28Å; K144-F146 HydrophobicContact CG-CZ 4.34Å; K144-F146 PolarHBondContact O-N 2.82Å; K144-F146 VanDerWaalsContact O-N 3.08Å; F146-V148 VanDerWaalsContact C-N 3.29Å; F146-M208 HydrophobicContact CB-CG 4.18Å; F146-A211 HydrophobicContact CD2-CB 3.7Å; F146-A211 HydrophobicContact CE2-CB 4.23Å; F146-V213 HydrophobicContact CB-CG2 3.79Å
147E98.5Very high98Very high102 Ų10235.6 Ų35.648%0.47718%0.176SC..G310 helixtrans-73.1-23.8175.2-61.4177.7173.900111.8Y122 K144 F145Y122-E147 PolarHBondContact OH-OE2 3.09Å; K144-E147 HydrophobicContact CB-CG 4.22Å; K144-E147 IonicContact NZ-OE1 3.74Å; K144-E147 WeakPolarHBondContact O-CB 2.94Å; K144-E147 PolarHBondContact O-N 3.14Å; F145-E147 PolarHBondContact O-N 3.41Å
148V98.6Very high97.9Very high10 Ų1035.6 Ų35.66%0.06118%0.176CC..THydrogen-bonded Turntrans-122.25.4-173-65.20000113.6Y122 L125 E126 R128 F145 F146Y122-V148 HydrophobicContact CD2-CG2 4.13Å; Y122-V148 HydrophobicContact CE1-CG1 3.98Å; Y122-V148 HydrophobicContact CE2-CG1 3.96Å; Y122-V148 HydrophobicContact CE2-CG2 4.03Å; Y122-V148 WeakPolarHBondContact OH-CG1 3.41Å; L125-V148 HydrophobicContact CB-CB 4.26Å; L125-V148 HydrophobicContact CB-CG2 3.78Å; L125-V148 HydrophobicContact CD1-CG2 4.13Å; E126-V148 HydrophobicContact CB-CG1 3.84Å; E126-V148 HydrophobicContact CG-CG1 4.16Å; R128-V148 PolarHBondContact NH1-O 2.99Å; F145-V148 CarbonylContact O-C 3.59Å; F145-V148 WeakPolarHBondContact O-CG2 3.3Å; F145-V148 PolarHBondContact O-N 2.85Å; F145-V148 VanDerWaalsContact O-N 3.07Å; F146-V148 VanDerWaalsContact C-N 3.29Å
149Q98.8Very high97.9Very high7 Ų734 Ų343%0.03317%0.168CC..  trans-128.2144.9178.2-62.3-71-94.500110.2T77 N78 L125 F145T77-Q149 PolarHBondContact O-OE1 3.29Å; T77-Q149 VanDerWaalsContact O-OE1 3.06Å; T77-Q149 PolarHBondContact OG1-OE1 3.19Å; N78-Q149 VanDerWaalsContact N-OE1 3.13Å; L125-Q149 HydrophobicContact CD1-CG 4Å; F145-Q149 HydrophobicContact CB-CG 4.39Å; F145-Q149 VanDerWaalsContact O-CB 3.25Å; F145-Q149 WeakPolarHBondContact O-CB 3.34Å; F145-Q149 VanDerWaalsContact O-CG 3.24Å; F145-Q149 WeakPolarHBondContact O-CG 3.45Å; F145-Q149 PolarHBondContact O-N 2.87Å
150K98.6Very high97.8Very high118 Ų11833.1 Ų33.151%0.51316%0.162SC..SBendtrans-106-25.8-173.9-65.1-175.6-179.7178.40113.3N78 E214N78-K150 PolarHBondContact O-N 2.79Å; K150-E214 PolarHBondContact O-N 3.23Å
151F98.8Very high97.8Very high27 Ų2733.1 Ų33.112%0.11816%0.162CC..EExtended strand (participates in β ladder)trans-128.4135.2-174.8-53.4-81000109.2T77 N78 P82 E214 I216T77-F151 CarbonylContact C-O 3.57Å; T77-F151 WeakPolarHBondContact CA-O 3.37Å; T77-F151 WeakPolarHBondContact CB-O 3.43Å; N78-F151 PolarHBondContact N-O 3.31Å; N78-F151 PolarHBondContact O-N 3.33Å; P82-F151 HydrophobicContact CB-CD1 4.38Å; P82-F151 HydrophobicContact CG-CD1 3.73Å; P82-F151 HydrophobicContact CG-CE1 3.63Å; P82-F151 HydrophobicContact CG-CZ 4.44Å; F151-E214 CarbonylContact C-O 3.58Å; F151-E214 WeakPolarHBondContact CA-O 2.85Å; F151-E214 HydrophobicContact CD1-CB 3.83Å; F151-E214 HydrophobicContact CD1-CG 4.32Å; F151-E214 HydrophobicContact CE1-CB 4.21Å; F151-E214 WeakPolarHBondContact CE1-OE2 3.42Å; F151-I216 HydrophobicContact CB-CD1 3.97Å; F151-I216 HydrophobicContact CD1-CD1 4.17Å
152L98.8Very high97.8Very high0 Ų029.8 Ų29.80%015%0.151CC..EExtended strand (participates in β ladder)trans-117.5120166.4166.863.6000108D75 T77 I137 L154 M208 V213 E214 V215 I216D75-L152 HydrophobicContact CB-CD1 3.85Å; T77-L152 HydrophobicContact CG2-CB 4.09Å; T77-L152 HydrophobicContact CG2-CD1 3.62Å; T77-L152 HydrophobicContact CG2-CG 4.44Å; I137-L152 HydrophobicContact CG2-CD1 4.14Å; I137-L152 HydrophobicContact CG2-CD2 4.07Å; L152-L154 HydrophobicContact CD1-CD2 4.15Å; L152-L154 HydrophobicContact CD2-CD2 3.9Å; L152-L154 HydrophobicContact CG-CD2 3.94Å; L152-M208 HydrophobicContact CD2-SD 3.65Å; L152-V213 HydrophobicContact CB-CG1 3.87Å; L152-E214 PolarHBondContact N-O 3.46Å; L152-V215 HydrophobicContact CB-CG2 4.38Å; L152-V215 HydrophobicContact CD2-CG1 4.16Å; L152-V215 HydrophobicContact CD2-CG2 4.23Å; L152-V215 HydrophobicContact CG-CG1 4.4Å; L152-V215 CarbonylContact O-C 3.52Å; L152-V215 WeakPolarHBondContact O-CA 3.08Å; L152-I216 PolarHBondContact O-N 3.12Å
153S98.8Very high97.9Very high0 Ų025.4 Ų25.40%012%0.121CC..EExtended strand (participates in β ladder)trans-109119.7173.5-68.90000109.6V76 V83 T155V76-S153 PolarHBondContact N-O 2.82Å; V76-S153 PolarHBondContact O-N 3.03Å; V83-S153 WeakPolarHBondContact CB-OG 3.48Å; V83-S153 PolarHBondContact N-OG 2.89Å; V83-S153 VanDerWaalsContact O-CB 3.28Å; V83-S153 WeakPolarHBondContact O-CB 3.46Å; V83-S153 PolarHBondContact O-OG 3.4Å; S153-T155 PolarHBondContact O-N 2.91Å
154L97.7Very high97.9Very high21 Ų2125.1 Ų25.111%0.1112%0.116CC..EExtended strand (participates in β ladder)trans-75.258.4-179.4-58.8-171.6000112.4D75 I137 L152 H156 I205 V215 I216 T217 L219D75-L154 WeakPolarHBondContact OD1-CA 3.33Å; I137-L154 HydrophobicContact CG2-CD2 4.24Å; L152-L154 HydrophobicContact CD1-CD2 4.15Å; L152-L154 HydrophobicContact CD2-CD2 3.9Å; L152-L154 HydrophobicContact CG-CD2 3.94Å; L154-H156 PolarHBondContact O-N 2.99Å; L154-I205 HydrophobicContact CD1-CD1 4.04Å; L154-V215 HydrophobicContact CG-CG1 4.42Å; L154-I216 PolarHBondContact N-O 3.47Å; L154-I216 VanDerWaalsContact N-O 3.1Å; L154-T217 HydrophobicContact CD1-CG2 3.8Å; L154-T217 HydrophobicContact CG-CG2 4.44Å; L154-L219 HydrophobicContact CB-CD2 4.3Å
155T97.8Very high97.9Very high1 Ų119.9 Ų19.91%0.0069%0.093CC..EExtended strand (participates in β ladder)trans-58.8-32.8-179.953.10000113D75 V76 S153 H157 L219 R221 F224D75-T155 PolarHBondContact OD1-N 3.4Å; V76-T155 HydrophobicContact CB-CG2 4.27Å; V76-T155 HydrophobicContact CG2-CG2 4.03Å; V76-T155 PolarHBondContact N-OG1 3.49Å; S153-T155 PolarHBondContact O-N 2.91Å; T155-H157 PolarHBondContact O-N 3.18Å; T155-H157 VanDerWaalsContact O-N 3.07Å; T155-H157 PolarHBondContact OG1-ND1 3.21Å; T155-L219 HydrophobicContact CG2-CD1 4.18Å; T155-R221 PolarHBondContact O-NE 3.38Å; T155-F224 HydrophobicContact CG2-CE1 4.43Å; T155-F224 HydrophobicContact CG2-CZ 4.23Å
156H96.7Very high97.9Very high41 Ų4120.2 Ų20.219%0.1910%0.095CC..EExtended strand (participates in β ladder)trans39.646.8-172.9-58.3149.8000110.9W73 R74 D75 L154 A158 R221W73-H156 HydrophobicContact CB-CB 4.04Å; W73-H156 WeakPolarHBondContact CB-CD2 3.46Å; W73-H156 HydrophobicContact CD2-CB 4.02Å; W73-H156 HydrophobicContact CE3-CB 3.77Å; W73-H156 HydrophobicContact CG-CB 4.14Å; W73-H156 AromaticContact CG-CD2 3.85Å; R74-H156 WeakPolarHBondContact O-CA 3.23Å; R74-H156 PolarHBondContact O-N 3.09Å; D75-H156 WeakPolarHBondContact OD1-CA 3.32Å; D75-H156 IonicContact OD1-CD2 2.56Å; D75-H156 PolarHBondContact OD1-CD2 3.04Å; D75-H156 IonicContact OD1-CG 3.55Å; D75-H156 PolarHBondContact OD1-N 2.76Å; D75-H156 IonicContact OD1-NE2 3.81Å; D75-H156 IonicContact OD2-CD2 3.79Å; D75-H156 PolarHBondContact OD2-CD2 3.33Å; D75-H156 VanDerWaalsContact OD2-CD2 3.24Å; D75-H156 IonicContact OD2-NE2 3.74Å; L154-H156 PolarHBondContact O-N 2.99Å; H156-A158 VanDerWaalsContact C-N 3.3Å; H156-R221 PolarHBondContact O-NH2 3Å
157H97.1Very high98Very high3 Ų319 Ų191%0.0149%0.09CC..EExtended strand (participates in β ladder)trans-77.1-22.1-169.456.5-86.4000111.6P33 F34 R74 F106 E134 T155P33-H157 CarbonylContact C-O 3.59Å; P33-H157 WeakPolarHBondContact CA-O 3.42Å; P33-H157 VanDerWaalsContact CB-O 3.29Å; P33-H157 WeakPolarHBondContact CB-O 3.17Å; F34-H157 HydrophobicContact CE1-CB 4.33Å; F34-H157 HydrophobicContact CE2-CB 4.16Å; F34-H157 HydrophobicContact CZ-CB 3.76Å; F34-H157 PolarHBondContact N-O 2.86Å; R74-H157 PolarHBondContact O-CE1 3.43Å; R74-H157 PolarHBondContact O-N 3.3Å; R74-H157 PolarHBondContact O-ND1 2.96Å; R74-H157 VanDerWaalsContact O-ND1 3.1Å; F106-H157 AromaticContact CE2-NE2 3.75Å; F106-H157 AromaticContact CZ-CE1 3.94Å; F106-H157 AromaticContact CZ-NE2 3.71Å; E134-H157 IonicContact OE2-CE1 2.63Å; E134-H157 IonicContact OE2-NE2 3.93Å; E134-H157 PolarHBondContact OE2-NE2 3.09Å; T155-H157 PolarHBondContact O-N 3.18Å; T155-H157 VanDerWaalsContact O-N 3.07Å; T155-H157 PolarHBondContact OG1-ND1 3.21Å
158A96.3Very high98Very high2 Ų216 Ų162%0.0178%0.076CC..EExtended strand (participates in β ladder)trans-145.2161.1174.100000110R74 H156R74-A158 HydrophobicContact CB-CB 4.41Å; R74-A158 HydrophobicContact CG-CB 4.29Å; R74-A158 PolarHBondContact N-O 3.46Å; H156-A158 VanDerWaalsContact C-N 3.3Å
159Y96.9Very high98Very high5 Ų519 Ų192%0.0210%0.101CC..EExtended strand (participates in β ladder)trans-116.2135.9176.1176.8-93.3000108.9F36 A42 H43 L46 E70 W73 P161F36-Y159 AromaticContact CD2-CD1 3.94Å; F36-Y159 HydrophobicContact CD2-CD1 3.94Å; F36-Y159 HydrophobicContact CD2-CG 4.06Å; F36-Y159 AromaticContact CE2-CD1 3.85Å; F36-Y159 HydrophobicContact CE2-CD1 3.85Å; F36-Y159 HydrophobicContact CE2-CG 4.41Å; A42-Y159 HydrophobicContact CB-CD1 3.84Å; A42-Y159 HydrophobicContact CB-CD2 4.09Å; A42-Y159 HydrophobicContact CB-CE1 3.69Å; A42-Y159 HydrophobicContact CB-CE2 3.95Å; A42-Y159 HydrophobicContact CB-CG 4.04Å; H43-Y159 PolarHBondContact CD2-OH 3.46Å; H43-Y159 VanDerWaalsContact CD2-OH 3.32Å; H43-Y159 PolarHBondContact NE2-OH 2.93Å; L46-Y159 HydrophobicContact CD1-CE1 3.78Å; E70-Y159 WeakPolarHBondContact OE1-CE2 3.41Å; E70-Y159 PolarHBondContact OE1-OH 3.38Å; E70-Y159 WeakPolarHBondContact OE2-CE2 3.26Å; E70-Y159 PolarHBondContact OE2-OH 3.23Å; W73-Y159 HydrophobicContact CD2-CD2 4.02Å; W73-Y159 AromaticContact CE2-CD2 3.82Å; W73-Y159 HydrophobicContact CE3-CD2 4.4Å; W73-Y159 HydrophobicContact CG-CD2 4.43Å; W73-Y159 HydrophobicContact CH2-CD2 4.43Å; W73-Y159 HydrophobicContact CZ2-CD2 4.01Å; Y159-P161 HydrophobicContact CE1-CB 4.1Å; Y159-P161 HydrophobicContact CE1-CG 4.37Å
160S94.6Very high98Very high1 Ų122.8 Ų22.81%0.00712%0.117CC..EExtended strand (participates in β ladder)trans-116.6106.8-178.6-74.50000111N71 G72 R74N71-S160 WeakPolarHBondContact CA-O 3.21Å; N71-S160 WeakPolarHBondContact CB-O 3.48Å; N71-S160 PolarHBondContact N-O 3.49Å; N71-S160 VanDerWaalsContact N-O 3.07Å; G72-S160 PolarHBondContact N-O 3.47Å; G72-S160 PolarHBondContact O-N 2.94Å; R74-S160 WeakPolarHBondContact CD-OG 3.41Å; R74-S160 WeakPolarHBondContact CG-OG 3.41Å; R74-S160 PolarHBondContact NH1-OG 2.76Å
161P97.6Very high98Very high0 Ų017.7 Ų17.70%010%0.096CC..EExtended strand (participates in β ladder)trans-79.9152.8165.929.4-28.7000111.5S17 L30 L46 Y68 Y159S17-P161 PolarHBondContact N-O 3.02Å; S17-P161 VanDerWaalsContact N-O 3.07Å; L30-P161 HydrophobicContact CD1-CG 3.81Å; L46-P161 HydrophobicContact CD1-CB 3.65Å; L46-P161 HydrophobicContact CD1-CG 3.98Å; L46-P161 HydrophobicContact CD2-CG 4.29Å; Y68-P161 HydrophobicContact CD1-CB 4.39Å; Y159-P161 HydrophobicContact CE1-CB 4.1Å; Y159-P161 HydrophobicContact CE1-CG 4.37Å
162L97.9Very high97.9Very high22 Ų2220.2 Ų20.212%0.11511%0.11CC..EExtended strand (participates in β ladder)trans-97.6133.5165.6-66.8172.4000108.9M14 S15 Y68 W69 E70 N71M14-L162 HydrophobicContact CE-CD1 3.76Å; M14-L162 HydrophobicContact CG-CB 3.64Å; M14-L162 HydrophobicContact CG-CD1 4.17Å; M14-L162 HydrophobicContact CG-CD2 4.34Å; M14-L162 HydrophobicContact CG-CG 4.24Å; M14-L162 HydrophobicContact SD-CB 3.65Å; M14-L162 HydrophobicContact SD-CD1 3.51Å; M14-L162 VanDerWaalsContact SD-CD1 3.51Å; M14-L162 HydrophobicContact SD-CG 4.1Å; S15-L162 CarbonylContact O-C 3.57Å; S15-L162 WeakPolarHBondContact O-CA 3.38Å; Y68-L162 CarbonylContact C-O 3.6Å; Y68-L162 WeakPolarHBondContact CA-O 3.39Å; W69-L162 HydrophobicContact CB-CB 3.97Å; W69-L162 PolarHBondContact N-O 2.8Å; W69-L162 PolarHBondContact O-N 2.81Å; E70-L162 WeakPolarHBondContact O-CD1 3.2Å; N71-L162 HydrophobicContact CB-CD1 4.29Å; N71-L162 HydrophobicContact CB-CD2 4.1Å; N71-L162 HydrophobicContact CB-CG 3.83Å
163L98.5Very high97.9Very high0 Ų023.5 Ų23.50%014%0.144CC..EExtended strand (participates in β ladder)trans-98.8121.8172.3-79.367.4000108.4M14 S15 F20 M27 L58 V65 Y68 V165M14-L163 VanDerWaalsContact CA-O 3.3Å; M14-L163 WeakPolarHBondContact CA-O 3.49Å; S15-L163 PolarHBondContact N-O 2.82Å; S15-L163 VanDerWaalsContact N-O 3.14Å; S15-L163 PolarHBondContact O-N 3.03Å; F20-L163 HydrophobicContact CD2-CB 4.46Å; F20-L163 HydrophobicContact CD2-CD2 4.01Å; F20-L163 HydrophobicContact CE2-CB 3.77Å; F20-L163 HydrophobicContact CE2-CD2 4.1Å; F20-L163 HydrophobicContact CE2-CG 4.37Å; F20-L163 HydrophobicContact CG-CD2 4.34Å; F20-L163 HydrophobicContact CZ-CB 4.06Å; M27-L163 HydrophobicContact CE-CD1 4.12Å; M27-L163 HydrophobicContact CE-CD2 3.61Å; L58-L163 HydrophobicContact CD1-CD2 3.66Å; V65-L163 HydrophobicContact CG1-CB 4.19Å; V65-L163 HydrophobicContact CG1-CD2 4.21Å; V65-L163 HydrophobicContact CG1-CG 4.09Å; V65-L163 HydrophobicContact CG2-CD2 4.07Å; Y68-L163 HydrophobicContact CD1-CD1 3.77Å; Y68-L163 HydrophobicContact CD1-CG 3.84Å; Y68-L163 HydrophobicContact CE1-CD1 3.69Å; Y68-L163 HydrophobicContact CE1-CD2 4.15Å; Y68-L163 HydrophobicContact CE1-CG 3.62Å; L163-V165 HydrophobicContact CB-CG1 4.04Å
164V98.7Very high97.9Very high17 Ų1726.3 Ų26.310%0.10316%0.159CC..EExtended strand (participates in β ladder)trans-85.5117.7166.5-176.90000107.8M14 V65 L66 A67 W69M14-V164 HydrophobicContact CB-CG2 4.32Å; M14-V164 HydrophobicContact CG-CG2 4.15Å; M14-V164 HydrophobicContact SD-CG2 4.09Å; V65-V164 WeakPolarHBondContact CA-O 3.35Å; L66-V164 HydrophobicContact CB-CG1 4.44Å; L66-V164 HydrophobicContact CD1-CG1 4.31Å; L66-V164 PolarHBondContact N-O 3.19Å; A67-V164 PolarHBondContact O-N 2.82Å; A67-V164 VanDerWaalsContact O-N 3.07Å; W69-V164 HydrophobicContact CD2-CG2 3.63Å; W69-V164 HydrophobicContact CE3-CG2 4.3Å; W69-V164 HydrophobicContact CG-CG2 3.75Å; W69-V164 HydrophobicContact CZ2-CG2 4.05Å
165V98.8Very high98Very high0 Ų027.2 Ų27.20%017%0.167CC..EExtended strand (participates in β ladder)trans-123.8145.8-174.6-60.10000111.5V5 M12 E13 F20 L63 K64 V65 L163V5-V165 HydrophobicContact CG1-CG2 4.33Å; M12-V165 CarbonylContact C-O 3.57Å; M12-V165 WeakPolarHBondContact CA-O 3.17Å; M12-V165 WeakPolarHBondContact CB-O 3.31Å; E13-V165 HydrophobicContact CG-CG2 3.58Å; E13-V165 PolarHBondContact N-O 3.09Å; E13-V165 PolarHBondContact O-N 3.25Å; F20-V165 HydrophobicContact CE1-CG1 3.91Å; F20-V165 HydrophobicContact CE1-CG2 4.24Å; F20-V165 HydrophobicContact CZ-CG1 3.87Å; F20-V165 HydrophobicContact CZ-CG2 4.17Å; L63-V165 HydrophobicContact CD2-CB 4.25Å; L63-V165 HydrophobicContact CD2-CG2 4.12Å; K64-V165 CarbonylContact O-C 3.58Å; K64-V165 VanDerWaalsContact O-CA 3.32Å; K64-V165 WeakPolarHBondContact O-CA 3.47Å; V65-V165 HydrophobicContact CB-CG1 4.44Å; V65-V165 HydrophobicContact CG1-CG1 4.48Å; V65-V165 HydrophobicContact CG2-CG1 4.01Å; L163-V165 HydrophobicContact CB-CG1 4.04Å
166I98.9Very high98Very high10 Ų1031.6 Ų31.65%0.05120%0.195CC..EExtended strand (participates in β ladder)trans-121.3153171.1-174.9169.8000109.6D11 M12 K64 L66 K168 F171 L182D11-I166 CarbonylContact O-C 3.59Å; D11-I166 WeakPolarHBondContact O-CA 3.38Å; D11-I166 WeakPolarHBondContact O-CG1 3.24Å; M12-I166 HydrophobicContact CG-CB 3.68Å; M12-I166 HydrophobicContact CG-CD1 3.95Å; M12-I166 HydrophobicContact CG-CG1 3.61Å; M12-I166 HydrophobicContact SD-CB 4.26Å; M12-I166 HydrophobicContact SD-CD1 4.03Å; M12-I166 HydrophobicContact SD-CG1 4.28Å; K64-I166 HydrophobicContact CB-CG2 3.7Å; K64-I166 HydrophobicContact CG-CG2 4.23Å; K64-I166 PolarHBondContact N-O 2.67Å; K64-I166 PolarHBondContact O-N 2.78Å; L66-I166 HydrophobicContact CD1-CB 4.24Å; L66-I166 HydrophobicContact CD1-CG2 4.15Å; L66-I166 HydrophobicContact CD2-CG2 3.8Å; L66-I166 HydrophobicContact CG-CB 4.49Å; L66-I166 HydrophobicContact CG-CG2 3.95Å; I166-K168 PolarHBondContact O-N 3.11Å; I166-F171 HydrophobicContact CD1-CB 4.35Å; I166-F171 HydrophobicContact CG2-CB 3.81Å; I166-F171 HydrophobicContact CG2-CD2 3.91Å; I166-F171 HydrophobicContact CG2-CG 4.13Å; I166-L182 HydrophobicContact CD1-CD1 3.92Å
167N98.8Very high98.1Very high11 Ų1135.9 Ų35.96%0.05922%0.215CC..EExtended strand (participates in β ladder)trans-53.9125.1168.3179.3-85.3000110.4V5 R6 G8 D11 A169 K170 F171V5-N167 HydrophobicContact CG1-CB 4.39Å; V5-N167 VanDerWaalsContact CG1-N 3.33Å; V5-N167 VanDerWaalsContact O-CB 3.23Å; V5-N167 WeakPolarHBondContact O-CB 3.39Å; V5-N167 PolarHBondContact O-ND2 2.91Å; R6-N167 PolarHBondContact O-ND2 3.41Å; R6-N167 VanDerWaalsContact O-ND2 3.09Å; G8-N167 PolarHBondContact N-ND2 2.81Å; D11-N167 PolarHBondContact O-N 3.31Å; N167-A169 PolarHBondContact O-N 2.81Å; N167-A169 WeakPolarHBondContact OD1-CB 3.4Å; N167-A169 PolarHBondContact OD1-N 3.05Å; N167-K170 HydrophobicContact CB-CB 4.11Å; N167-K170 HydrophobicContact CB-CD 4.27Å; N167-K170 HydrophobicContact CB-CG 4.11Å; N167-K170 PolarHBondContact O-N 3.35Å; N167-K170 PolarHBondContact OD1-N 3.03Å; N167-F171 PolarHBondContact O-N 2.94Å
168K98.7Very high98.2Very high41 Ų4142 Ų4218%0.17824%0.242CC..Hα-helixtrans-61-43.6-175.5-17763.5165.475.50112.7G62 K64 I166 K170 F171 D172G62-K168 PolarHBondContact O-N 3.1Å; K64-K168 HydrophobicContact CB-CD 3.94Å; I166-K168 PolarHBondContact O-N 3.11Å; K168-K170 PolarHBondContact O-N 3.4Å; K168-F171 PolarHBondContact O-N 3.21Å; K168-D172 IonicContact NZ-OD1 3.36Å; K168-D172 PolarHBondContact NZ-OD1 3.19Å; K168-D172 IonicContact NZ-OD2 2.66Å; K168-D172 PolarHBondContact NZ-OD2 3.32Å; K168-D172 WeakPolarHBondContact O-CB 3.47Å; K168-D172 PolarHBondContact O-N 3.41Å
169A98.6Very high98.3Very high71 Ų7144.2 Ų44.259%0.58725%0.252SS*.Hα-helixtrans-67.1-37.8-17900000112.2N167 D172 G173N167-A169 PolarHBondContact O-N 2.81Å; N167-A169 WeakPolarHBondContact OD1-CB 3.4Å; N167-A169 PolarHBondContact OD1-N 3.05Å; A169-D172 PolarHBondContact O-N 3.46Å; A169-G173 PolarHBondContact O-N 2.69Å
170K98.6Very high98.4Very high87 Ų8749.6 Ų49.638%0.37828%0.278SS..Hα-helixtrans-65.8-43.9173.9-67.1-170.9-177-172.80111.4G8 D11 N167 K168 G173 L174G8-K170 WeakPolarHBondContact O-CE 3.4Å; G8-K170 PolarHBondContact O-NZ 3.07Å; D11-K170 WeakPolarHBondContact OD1-CD 3.34Å; D11-K170 WeakPolarHBondContact OD1-CE 3.42Å; D11-K170 IonicContact OD1-NZ 3.33Å; D11-K170 PolarHBondContact OD1-NZ 2.99Å; N167-K170 HydrophobicContact CB-CB 4.11Å; N167-K170 HydrophobicContact CB-CD 4.27Å; N167-K170 HydrophobicContact CB-CG 4.11Å; N167-K170 PolarHBondContact O-N 3.35Å; N167-K170 PolarHBondContact OD1-N 3.03Å; K168-K170 PolarHBondContact O-N 3.4Å; K170-G173 PolarHBondContact O-N 3.05Å; K170-L174 WeakPolarHBondContact O-CG 3.41Å; K170-L174 PolarHBondContact O-N 3.26Å
171F98.7Very high98.6Very high12 Ų1251.6 Ų51.65%0.05329%0.294CS..Hα-helixtrans-59.9-46.9174.6-177.8-94000111.9K64 L66 I166 N167 K168 G173 L174 Q179 L182 V183K64-F171 HydrophobicContact CB-CB 4.28Å; K64-F171 HydrophobicContact CB-CD1 4.26Å; K64-F171 HydrophobicContact CB-CG 4.16Å; K64-F171 HydrophobicContact CD-CD1 4.48Å; K64-F171 HydrophobicContact CD-CE1 4.34Å; K64-F171 HydrophobicContact CG-CD1 3.84Å; K64-F171 HydrophobicContact CG-CD2 4.21Å; K64-F171 HydrophobicContact CG-CE1 3.98Å; K64-F171 HydrophobicContact CG-CE2 4.33Å; K64-F171 HydrophobicContact CG-CG 3.96Å; K64-F171 HydrophobicContact CG-CZ 4.21Å; L66-F171 HydrophobicContact CD2-CD2 4Å; L66-F171 HydrophobicContact CD2-CE2 3.77Å; I166-F171 HydrophobicContact CD1-CB 4.35Å; I166-F171 HydrophobicContact CG2-CB 3.81Å; I166-F171 HydrophobicContact CG2-CD2 3.91Å; I166-F171 HydrophobicContact CG2-CG 4.13Å; N167-F171 PolarHBondContact O-N 2.94Å; K168-F171 PolarHBondContact O-N 3.21Å; F171-G173 PolarHBondContact O-N 2.58Å; F171-L174 WeakPolarHBondContact O-CB 2.99Å; F171-L174 PolarHBondContact O-N 3.33Å; F171-L174 VanDerWaalsContact O-N 3.09Å; F171-Q179 HydrophobicContact CD1-CG 4.18Å; F171-Q179 HydrophobicContact CD2-CG 4.4Å; F171-Q179 HydrophobicContact CE1-CB 4.06Å; F171-Q179 HydrophobicContact CE1-CG 3.8Å; F171-Q179 HydrophobicContact CE2-CB 3.93Å; F171-Q179 HydrophobicContact CE2-CG 4.04Å; F171-Q179 HydrophobicContact CG-CG 4.47Å; F171-Q179 HydrophobicContact CZ-CB 3.55Å; F171-Q179 HydrophobicContact CZ-CG 3.74Å; F171-Q179 WeakPolarHBondContact O-CG 3.36Å; F171-Q179 PolarHBondContact O-NE2 2.91Å; F171-L182 HydrophobicContact CD2-CD1 4.35Å; F171-V183 HydrophobicContact CE2-CG2 3.97Å; F171-V183 HydrophobicContact CZ-CG2 3.9Å
172D98.5Very high98.6Very high79 Ų7954.1 Ų54.142%0.42231%0.307SS..Hα-helixtrans-64.9-26.8179.4-67.7-14000113K168 A169 L174K168-D172 IonicContact NZ-OD1 3.36Å; K168-D172 PolarHBondContact NZ-OD1 3.19Å; K168-D172 IonicContact NZ-OD2 2.66Å; K168-D172 PolarHBondContact NZ-OD2 3.32Å; K168-D172 WeakPolarHBondContact O-CB 3.47Å; K168-D172 PolarHBondContact O-N 3.41Å; A169-D172 PolarHBondContact O-N 3.46Å; D172-L174 VanDerWaalsContact C-N 3.3Å
173G98.3Very high98.6Very high69 Ų6954.4 Ų54.471%0.71131%0.31SS*.THydrogen-bonded Turntrans-77.8-9175.200000114.8A169 K170 F171A169-G173 PolarHBondContact O-N 2.69Å; K170-G173 PolarHBondContact O-N 3.05Å; F171-G173 PolarHBondContact O-N 2.58Å
174L98.5Very high98.6Very high59 Ų5956.6 Ų56.631%0.30933%0.325SS..SBendtrans-79.3153173.9-61.7172.7000110.9K170 F171 D172 F178 Q179 L182K170-L174 WeakPolarHBondContact O-CG 3.41Å; K170-L174 PolarHBondContact O-N 3.26Å; F171-L174 WeakPolarHBondContact O-CB 2.99Å; F171-L174 PolarHBondContact O-N 3.33Å; F171-L174 VanDerWaalsContact O-N 3.09Å; D172-L174 VanDerWaalsContact C-N 3.3Å; L174-F178 HydrophobicContact CB-CB 4.04Å; L174-F178 HydrophobicContact CD1-CB 4.48Å; L174-F178 HydrophobicContact CD2-CB 4.48Å; L174-Q179 HydrophobicContact CB-CG 3.92Å; L174-Q179 PolarHBondContact O-NE2 3.03Å; L174-L182 HydrophobicContact CD1-CD1 3.28Å; L174-L182 HydrophobicContact CD1-CG 4.43Å
175S98.7Very high98.6Very high41 Ų4159 Ų5929%0.28734%0.342SS..  trans-64.3156.2170.281.80000110.9E177 F178 Q179S175-E177 WeakPolarHBondContact CB-OE2 3.3Å; S175-E177 PolarHBondContact O-N 2.97Å; S175-E177 VanDerWaalsContact O-N 3.15Å; S175-E177 PolarHBondContact OG-OE2 2.95Å; S175-F178 PolarHBondContact O-N 3.07Å; S175-F178 WeakPolarHBondContact OG-CD2 3.38Å; S175-Q179 PolarHBondContact O-N 2.78Å
176P98.6Very high98.6Very high92 Ų9259.5 Ų59.560%0.59735%0.347SS*.Hα-helixtrans-53.3-35.8178.3-27.836.3000113.5Q179 Q180P176-Q179 PolarHBondContact O-N 2.8Å; P176-Q180 WeakPolarHBondContact O-CB 3.4Å; P176-Q180 PolarHBondContact O-N 3.25Å
177E98.6Very high98.6Very high131 Ų13163.1 Ų63.161%0.61236%0.363SS*.Hα-helixtrans-64.2-43177.7-55.674.7-159.900111.5S175 A181S175-E177 WeakPolarHBondContact CB-OE2 3.3Å; S175-E177 PolarHBondContact O-N 2.97Å; S175-E177 VanDerWaalsContact O-N 3.15Å; S175-E177 PolarHBondContact OG-OE2 2.95Å; E177-A181 WeakPolarHBondContact O-CB 3.38Å; E177-A181 PolarHBondContact O-N 2.92Å
178F98.6Very high98.6Very high133 Ų13369.4 Ų69.458%0.58339%0.392SS*.Hα-helixtrans-75.4-34178-71.9-45.3000113.1L174 S175 Q180 A181 L182L174-F178 HydrophobicContact CB-CB 4.04Å; L174-F178 HydrophobicContact CD1-CB 4.48Å; L174-F178 HydrophobicContact CD2-CB 4.48Å; S175-F178 PolarHBondContact O-N 3.07Å; S175-F178 WeakPolarHBondContact OG-CD2 3.38Å; F178-Q180 VanDerWaalsContact C-N 3.35Å; F178-A181 PolarHBondContact O-N 2.81Å; F178-L182 WeakPolarHBondContact O-CG 3.46Å; F178-L182 PolarHBondContact O-N 2.88Å
179Q98.7Very high98.6Very high48 Ų4869.3 Ų69.322%0.22440%0.399CS..Hα-helixtrans-58.9-49.1170.4-73.2-176.4-3.200110.8F171 L174 S175 P176 L182 V183F171-Q179 HydrophobicContact CD1-CG 4.18Å; F171-Q179 HydrophobicContact CD2-CG 4.4Å; F171-Q179 HydrophobicContact CE1-CB 4.06Å; F171-Q179 HydrophobicContact CE1-CG 3.8Å; F171-Q179 HydrophobicContact CE2-CB 3.93Å; F171-Q179 HydrophobicContact CE2-CG 4.04Å; F171-Q179 HydrophobicContact CG-CG 4.47Å; F171-Q179 HydrophobicContact CZ-CB 3.55Å; F171-Q179 HydrophobicContact CZ-CG 3.74Å; F171-Q179 WeakPolarHBondContact O-CG 3.36Å; F171-Q179 PolarHBondContact O-NE2 2.91Å; L174-Q179 HydrophobicContact CB-CG 3.92Å; L174-Q179 PolarHBondContact O-NE2 3.03Å; S175-Q179 PolarHBondContact O-N 2.78Å; P176-Q179 PolarHBondContact O-N 2.8Å; Q179-L182 PolarHBondContact O-N 3.49Å; Q179-V183 WeakPolarHBondContact O-CG2 3.33Å; Q179-V183 PolarHBondContact O-N 3.4Å; Q179-V183 VanDerWaalsContact O-N 3.11Å
180Q98.7Very high98.6Very high118 Ų11866 Ų6655%0.55137%0.372SS*.Hα-helixtrans-62.3-45.4178.3-177.157.450.500111.2P176 F178 L182 V183 S184P176-Q180 WeakPolarHBondContact O-CB 3.4Å; P176-Q180 PolarHBondContact O-N 3.25Å; F178-Q180 VanDerWaalsContact C-N 3.35Å; Q180-L182 VanDerWaalsContact C-N 3.35Å; Q180-L182 PolarHBondContact O-N 3.21Å; Q180-V183 PolarHBondContact O-N 3.24Å; Q180-S184 PolarHBondContact O-N 2.96Å; Q180-S184 PolarHBondContact O-OG 3.27Å
181A98.6Very high98.6Very high42 Ų4266.2 Ų66.235%0.34738%0.377SS..Hα-helixtrans-57.9-45.3178.300000112E177 F178 S184 S185E177-A181 WeakPolarHBondContact O-CB 3.38Å; E177-A181 PolarHBondContact O-N 2.92Å; F178-A181 PolarHBondContact O-N 2.81Å; A181-S184 PolarHBondContact O-OG 3.18Å; A181-S184 VanDerWaalsContact O-OG 3.11Å; A181-S185 VanDerWaalsContact O-CB 3.26Å; A181-S185 WeakPolarHBondContact O-CB 3.45Å; A181-S185 PolarHBondContact O-N 2.56Å; A181-S185 PolarHBondContact O-OG 2.9Å
182L98.3Very high98.5Very high53 Ų5372.7 Ų72.728%0.27740%0.402SS..Hα-helixtrans-62.7-45.2177.4-77.2178000112.7L66 I166 F171 L174 F178 Q179 Q180 A186L66-L182 HydrophobicContact CD2-CB 4.46Å; I166-L182 HydrophobicContact CD1-CD1 3.92Å; F171-L182 HydrophobicContact CD2-CD1 4.35Å; L174-L182 HydrophobicContact CD1-CD1 3.28Å; L174-L182 HydrophobicContact CD1-CG 4.43Å; F178-L182 WeakPolarHBondContact O-CG 3.46Å; F178-L182 PolarHBondContact O-N 2.88Å; Q179-L182 PolarHBondContact O-N 3.49Å; Q180-L182 VanDerWaalsContact C-N 3.35Å; Q180-L182 PolarHBondContact O-N 3.21Å; L182-A186 VanDerWaalsContact O-CB 3.28Å; L182-A186 WeakPolarHBondContact O-CB 3.16Å; L182-A186 PolarHBondContact O-N 3.2Å
183V98.6Very high98.5Very high29 Ų2970.7 Ų70.718%0.17639%0.39CS..Hα-helixtrans-63.7-49.3179173.40000110.3L66 F171 Q179 Q180 S185 A186 Q187L66-V183 HydrophobicContact CD2-CG2 3.92Å; F171-V183 HydrophobicContact CE2-CG2 3.97Å; F171-V183 HydrophobicContact CZ-CG2 3.9Å; Q179-V183 WeakPolarHBondContact O-CG2 3.33Å; Q179-V183 PolarHBondContact O-N 3.4Å; Q179-V183 VanDerWaalsContact O-N 3.11Å; Q180-V183 PolarHBondContact O-N 3.24Å; V183-S185 PolarHBondContact O-N 3.09Å; V183-A186 PolarHBondContact O-N 3.05Å; V183-Q187 VanDerWaalsContact O-CG 3.3Å; V183-Q187 WeakPolarHBondContact O-CG 3.38Å; V183-Q187 PolarHBondContact O-N 3.16Å
184S98.5Very high98.5Very high46 Ų4668.2 Ų68.232%0.32236%0.36SS..Hα-helixtrans-64.3-41.3-179.156.30000112.4Q180 A181 Q187 E188Q180-S184 PolarHBondContact O-N 2.96Å; Q180-S184 PolarHBondContact O-OG 3.27Å; A181-S184 PolarHBondContact O-OG 3.18Å; A181-S184 VanDerWaalsContact O-OG 3.11Å; S184-Q187 PolarHBondContact O-N 3.43Å; S184-E188 WeakPolarHBondContact O-CB 3.22Å; S184-E188 PolarHBondContact O-N 3.05Å
185S98.7Very high98.4Very high66 Ų6671.1 Ų71.146%0.46237%0.37SS..Hα-helixtrans-67.6-37.5177.9-65.90000112.2A181 V183 Q187 E188 A189A181-S185 VanDerWaalsContact O-CB 3.26Å; A181-S185 WeakPolarHBondContact O-CB 3.45Å; A181-S185 PolarHBondContact O-N 2.56Å; A181-S185 PolarHBondContact O-OG 2.9Å; V183-S185 PolarHBondContact O-N 3.09Å; S185-Q187 VanDerWaalsContact C-N 3.33Å; S185-E188 PolarHBondContact O-N 2.82Å; S185-A189 VanDerWaalsContact O-CB 3.24Å; S185-A189 WeakPolarHBondContact O-CB 3.38Å; S185-A189 PolarHBondContact O-N 2.84Å
186A98.7Very high98.3Very high11 Ų1172 Ų729%0.09137%0.371CS..Hα-helixtrans-66-36.3174.700000112.2L66 A67 W69 L182 V183 G190L66-A186 HydrophobicContact CB-CB 3.62Å; L66-A186 HydrophobicContact CD1-CB 4.34Å; A67-A186 HydrophobicContact CB-CB 3.93Å; A67-A186 WeakPolarHBondContact CB-O 3.35Å; W69-A186 PolarHBondContact NE1-O 2.94Å; L182-A186 VanDerWaalsContact O-CB 3.28Å; L182-A186 WeakPolarHBondContact O-CB 3.16Å; L182-A186 PolarHBondContact O-N 3.2Å; V183-A186 PolarHBondContact O-N 3.05Å; A186-G190 PolarHBondContact O-N 3.17Å
187Q98.5Very high98.2Very high86 Ų8668.5 Ų68.540%0.40235%0.348SS..Hα-helixtrans-68.8-46174.9-72.1171.8-3500111.9A67 V183 S184 S185 G190 N191A67-Q187 HydrophobicContact CB-CG 4.14Å; V183-Q187 VanDerWaalsContact O-CG 3.3Å; V183-Q187 WeakPolarHBondContact O-CG 3.38Å; V183-Q187 PolarHBondContact O-N 3.16Å; S184-Q187 PolarHBondContact O-N 3.43Å; S185-Q187 VanDerWaalsContact C-N 3.33Å; Q187-G190 PolarHBondContact O-N 3.44Å; Q187-N191 PolarHBondContact O-N 3.32Å; Q187-N191 PolarHBondContact O-ND2 3.46Å
188E98.6Very high98Very high143 Ų14365.5 Ų65.567%0.66835%0.346SS*.Hα-helixtrans-59.9-49.7176.4-175.6-178.1172.700111.4S184 S185 G190 N191 Y192S184-E188 WeakPolarHBondContact O-CB 3.22Å; S184-E188 PolarHBondContact O-N 3.05Å; S185-E188 PolarHBondContact O-N 2.82Å; E188-G190 VanDerWaalsContact C-N 3.29Å; E188-G190 PolarHBondContact O-N 3.29Å; E188-N191 PolarHBondContact O-N 2.88Å; E188-Y192 PolarHBondContact O-N 3.17Å
189A98.7Very high97.8Very high39 Ų3963.7 Ų63.732%0.32234%0.339SS..Hα-helixtrans-61.5-37.9176.100000112.1W69 S185 Y192 Q193W69-A189 HydrophobicContact CH2-CB 4.23Å; W69-A189 HydrophobicContact CZ2-CB 3.63Å; S185-A189 VanDerWaalsContact O-CB 3.24Å; S185-A189 WeakPolarHBondContact O-CB 3.38Å; S185-A189 PolarHBondContact O-N 2.84Å; A189-Y192 PolarHBondContact O-N 3.01Å; A189-Q193 VanDerWaalsContact O-CB 3.22Å; A189-Q193 WeakPolarHBondContact O-CB 3.35Å; A189-Q193 PolarHBondContact O-N 3.16Å
190G98.4Very high97.7Very high1 Ų164.4 Ų64.41%0.0134%0.344CS..Hα-helixtrans-64.8-42176.200000113.4A186 Q187 E188 Q193 R194A186-G190 PolarHBondContact O-N 3.17Å; Q187-G190 PolarHBondContact O-N 3.44Å; E188-G190 VanDerWaalsContact C-N 3.29Å; E188-G190 PolarHBondContact O-N 3.29Å; G190-Q193 PolarHBondContact O-N 3.29Å; G190-R194 WeakPolarHBondContact O-CG 3.12Å; G190-R194 PolarHBondContact O-N 3.07Å
191N98.1Very high97.6Very high92 Ų9260.9 Ų60.949%0.49233%0.328SS..Hα-helixtrans-64-42.1175.2-71.7-23.3000111.6Q187 E188 K195Q187-N191 PolarHBondContact O-N 3.32Å; Q187-N191 PolarHBondContact O-ND2 3.46Å; E188-N191 PolarHBondContact O-N 2.88Å; N191-K195 PolarHBondContact O-N 3.43Å
192Y98.4Very high97.5Very high149 Ų14963.8 Ų63.858%0.58433%0.334SS*.Hα-helixtrans-64.8-43174.1-176.9-117.7000111.9E188 A189 R194 K195 L196E188-Y192 PolarHBondContact O-N 3.17Å; A189-Y192 PolarHBondContact O-N 3.01Å; Y192-R194 PolarHBondContact O-N 3.44Å; Y192-K195 WeakPolarHBondContact O-CB 2.8Å; Y192-K195 PolarHBondContact O-N 3.12Å; Y192-L196 HydrophobicContact CD1-CD1 4.08Å; Y192-L196 HydrophobicContact CE1-CD1 3.66Å; Y192-L196 HydrophobicContact CE1-CG 4.2Å; Y192-L196 HydrophobicContact CE2-CD2 4.44Å; Y192-L196 PolarHBondContact O-N 3.28Å
193Q97.9Very high97.4Very high36 Ų3667.3 Ų67.317%0.16835%0.347CS..Hα-helixtrans-64.2-39.9178.4-175.2-85.3-21.100112.6W69 E70 A189 G190 K195 L196 V197W69-Q193 HydrophobicContact CE3-CB 4.3Å; W69-Q193 HydrophobicContact CE3-CG 3.98Å; W69-Q193 HydrophobicContact CZ3-CG 4.48Å; E70-Q193 PolarHBondContact O-NE2 3.26Å; A189-Q193 VanDerWaalsContact O-CB 3.22Å; A189-Q193 WeakPolarHBondContact O-CB 3.35Å; A189-Q193 PolarHBondContact O-N 3.16Å; G190-Q193 PolarHBondContact O-N 3.29Å; Q193-K195 VanDerWaalsContact C-N 3.29Å; Q193-K195 PolarHBondContact O-N 3.21Å; Q193-L196 PolarHBondContact O-N 3.34Å; Q193-V197 WeakPolarHBondContact O-CG2 3.47Å; Q193-V197 PolarHBondContact O-N 3.41Å
194R97.8Very high97.4Very high18 Ų1866.7 Ų66.77%0.06834%0.343CS..Hα-helixtrans-57.1-42172-79165.1-178.1-171.713.5112D47 Y68 E70 G190 Y192 V197 A198D47-R194 IonicContact OD1-CZ 3.88Å; D47-R194 IonicContact OD1-NH1 2.98Å; D47-R194 IonicContact OD1-NH2 3.84Å; D47-R194 PolarHBondContact OD1-NH2 2.71Å; D47-R194 IonicContact OD2-CZ 2.6Å; D47-R194 IonicContact OD2-NH1 3Å; D47-R194 PolarHBondContact OD2-NH1 2.96Å; D47-R194 IonicContact OD2-NH2 3.16Å; D47-R194 PolarHBondContact OD2-NH2 3.14Å; Y68-R194 PolarHBondContact O-NE 2.72Å; Y68-R194 PolarHBondContact O-NH2 3.49Å; E70-R194 HydrophobicContact CB-CB 4.49Å; E70-R194 HydrophobicContact CB-CG 3.78Å; G190-R194 WeakPolarHBondContact O-CG 3.12Å; G190-R194 PolarHBondContact O-N 3.07Å; Y192-R194 PolarHBondContact O-N 3.44Å; R194-V197 PolarHBondContact O-N 3.44Å; R194-A198 PolarHBondContact O-N 3.44Å; R194-A198 VanDerWaalsContact O-N 3.09Å
195K97Very high97.4Very high119 Ų11965.2 Ų65.252%0.51733%0.331SS..Hα-helixtrans-62.7-47175.5178.4178.3170.5179.40111.4N191 Y192 Q193 V197 A198 E199N191-K195 PolarHBondContact O-N 3.43Å; Y192-K195 WeakPolarHBondContact O-CB 2.8Å; Y192-K195 PolarHBondContact O-N 3.12Å; Q193-K195 VanDerWaalsContact C-N 3.29Å; Q193-K195 PolarHBondContact O-N 3.21Å; K195-V197 PolarHBondContact O-N 3.1Å; K195-A198 PolarHBondContact O-N 3.35Å; K195-E199 WeakPolarHBondContact CE-OE1 3.32Å; K195-E199 HydrophobicContact CG-CG 4.46Å; K195-E199 IonicContact NZ-OE1 2.68Å; K195-E199 WeakPolarHBondContact O-CG 3.35Å; K195-E199 PolarHBondContact O-N 3.31Å
196L96.3Very high97.4Very high61 Ų6165 Ų6532%0.31933%0.325SS..Hα-helixtrans-59.9-44.4177.3-67178.3000112Y192 Q193 A198 E199 D200Y192-L196 HydrophobicContact CD1-CD1 4.08Å; Y192-L196 HydrophobicContact CE1-CD1 3.66Å; Y192-L196 HydrophobicContact CE1-CG 4.2Å; Y192-L196 HydrophobicContact CE2-CD2 4.44Å; Y192-L196 PolarHBondContact O-N 3.28Å; Q193-L196 PolarHBondContact O-N 3.34Å; L196-A198 VanDerWaalsContact C-N 3.3Å; L196-A198 PolarHBondContact O-N 3.43Å; L196-E199 PolarHBondContact O-N 3.33Å; L196-D200 WeakPolarHBondContact O-CB 3.41Å; L196-D200 PolarHBondContact O-N 3.02Å
197V96Very high97.4Very high17 Ų1765 Ų6510%0.10333%0.326CS..Hα-helixtrans-60.2-42.3177.4173.10000111.4E70 Q193 R194 K195 D200 Q201E70-V197 HydrophobicContact CB-CB 4.3Å; E70-V197 HydrophobicContact CB-CG1 4.48Å; E70-V197 HydrophobicContact CB-CG2 4.14Å; E70-V197 HydrophobicContact CG-CB 3.88Å; E70-V197 HydrophobicContact CG-CG1 3.59Å; E70-V197 HydrophobicContact CG-CG2 4.12Å; Q193-V197 WeakPolarHBondContact O-CG2 3.47Å; Q193-V197 PolarHBondContact O-N 3.41Å; R194-V197 PolarHBondContact O-N 3.44Å; K195-V197 PolarHBondContact O-N 3.1Å; V197-D200 PolarHBondContact O-N 3.13Å; V197-Q201 WeakPolarHBondContact O-CG 3.32Å; V197-Q201 PolarHBondContact O-N 3.34Å; V197-Q201 PolarHBondContact O-NE2 3.03Å
198A95Very high97.4Very high69 Ų6961 Ų6157%0.5731%0.307SS*.Hα-helixtrans-64.7-42.1177.200000112.3R194 K195 L196 D200 Q201R194-A198 PolarHBondContact O-N 3.44Å; R194-A198 VanDerWaalsContact O-N 3.09Å; K195-A198 PolarHBondContact O-N 3.35Å; L196-A198 VanDerWaalsContact C-N 3.3Å; L196-A198 PolarHBondContact O-N 3.43Å; A198-D200 VanDerWaalsContact C-N 3.31Å; A198-D200 PolarHBondContact O-N 2.72Å; A198-Q201 PolarHBondContact O-N 3.31Å
199E95Very high97.4Very high95 Ų9558.9 Ų58.944%0.44430%0.296SS..Hα-helixtrans-66.6-31.2177.7-73175.5174.500113K195 L196K195-E199 WeakPolarHBondContact CE-OE1 3.32Å; K195-E199 HydrophobicContact CG-CG 4.46Å; K195-E199 IonicContact NZ-OE1 2.68Å; K195-E199 WeakPolarHBondContact O-CG 3.35Å; K195-E199 PolarHBondContact O-N 3.31Å; L196-E199 PolarHBondContact O-N 3.33Å
200D96Very high97.4Very high63 Ų6365.1 Ų65.134%0.33732%0.318SS..Hα-helixtrans-86.6-15.2-178.2-73.7-16.7000113.6L196 V197 A198 Q202 K203 I204L196-D200 WeakPolarHBondContact O-CB 3.41Å; L196-D200 PolarHBondContact O-N 3.02Å; V197-D200 PolarHBondContact O-N 3.13Å; A198-D200 VanDerWaalsContact C-N 3.31Å; A198-D200 PolarHBondContact O-N 2.72Å; D200-Q202 PolarHBondContact O-N 3.49Å; D200-K203 PolarHBondContact O-N 3.02Å; D200-K203 IonicContact OD1-NZ 3.44Å; D200-K203 PolarHBondContact OD1-NZ 3.11Å; D200-I204 HydrophobicContact CB-CD1 4.14Å; D200-I204 WeakPolarHBondContact O-CB 3.35Å; D200-I204 WeakPolarHBondContact O-CD1 3.43Å; D200-I204 VanDerWaalsContact O-CG1 3.29Å; D200-I204 WeakPolarHBondContact O-CG1 3.32Å; D200-I204 PolarHBondContact O-N 3.45Å
201Q96.1Very high97.4Very high44 Ų4467.6 Ų67.621%0.20634%0.338CS..Hα-helixtrans-52.2-53.4-179.7-70.8-57.8-68.700112.1I137 V197 A198 I204 I205I137-Q201 HydrophobicContact CD1-CB 4.36Å; I137-Q201 VanDerWaalsContact CG1-OE1 3.3Å; V197-Q201 WeakPolarHBondContact O-CG 3.32Å; V197-Q201 PolarHBondContact O-N 3.34Å; V197-Q201 PolarHBondContact O-NE2 3.03Å; A198-Q201 PolarHBondContact O-N 3.31Å; Q201-I204 PolarHBondContact O-N 3.07Å; Q201-I205 WeakPolarHBondContact O-CG1 3.48Å; Q201-I205 PolarHBondContact O-N 3.22Å
202Q95.9Very high97.4Very high102 Ų10266.2 Ų66.248%0.47735%0.346SS..Hα-helixtrans-68.2-39-176.4-171.957.252.900111.6D200 I204 I205 D206D200-Q202 PolarHBondContact O-N 3.49Å; Q202-I204 VanDerWaalsContact C-N 3.3Å; Q202-I204 PolarHBondContact O-N 3.13Å; Q202-I205 PolarHBondContact O-N 2.93Å; Q202-D206 VanDerWaalsContact NE2-CG 3.29Å; Q202-D206 PolarHBondContact NE2-OD1 2.82Å; Q202-D206 PolarHBondContact NE2-OD2 3Å; Q202-D206 WeakPolarHBondContact O-CB 3.22Å; Q202-D206 VanDerWaalsContact O-CG 3.27Å; Q202-D206 PolarHBondContact O-N 3.28Å
203K97.8Very high97.4Very high128 Ų12859.5 Ų59.556%0.55732%0.32SS*.Hα-helixtrans-60.5-41.4176.1-58.9179.7-160.7151.90111.5D200 G207D200-K203 PolarHBondContact O-N 3.02Å; D200-K203 IonicContact OD1-NZ 3.44Å; D200-K203 PolarHBondContact OD1-NZ 3.11Å; K203-G207 PolarHBondContact O-N 3.02Å
204I98.2Very high97.4Very high15 Ų1562.4 Ų62.48%0.07733%0.334CS..Hα-helixtrans-66.5-44.9177.1-70.9160.8000110.6I137 N138 W141 D200 Q201 Q202 D206 G207 M208I137-I204 HydrophobicContact CB-CG2 4.19Å; I137-I204 HydrophobicContact CD1-CB 4.24Å; I137-I204 HydrophobicContact CD1-CG2 4Å; I137-I204 HydrophobicContact CG1-CG2 4.1Å; N138-I204 HydrophobicContact CB-CD1 3.83Å; W141-I204 HydrophobicContact CB-CG1 4.33Å; W141-I204 HydrophobicContact CB-CG2 3.7Å; W141-I204 HydrophobicContact CD2-CG2 4.24Å; W141-I204 HydrophobicContact CE3-CG2 4.32Å; W141-I204 HydrophobicContact CG-CG1 4.1Å; W141-I204 HydrophobicContact CG-CG2 4Å; D200-I204 HydrophobicContact CB-CD1 4.14Å; D200-I204 WeakPolarHBondContact O-CB 3.35Å; D200-I204 WeakPolarHBondContact O-CD1 3.43Å; D200-I204 VanDerWaalsContact O-CG1 3.29Å; D200-I204 WeakPolarHBondContact O-CG1 3.32Å; D200-I204 PolarHBondContact O-N 3.45Å; Q201-I204 PolarHBondContact O-N 3.07Å; Q202-I204 VanDerWaalsContact C-N 3.3Å; Q202-I204 PolarHBondContact O-N 3.13Å; I204-D206 VanDerWaalsContact C-N 3.33Å; I204-D206 PolarHBondContact O-N 3.49Å; I204-G207 PolarHBondContact O-N 2.92Å; I204-M208 HydrophobicContact CG2-CE 3.73Å; I204-M208 WeakPolarHBondContact O-CG 3.49Å; I204-M208 PolarHBondContact O-N 3.35Å
205I98.2Very high97.5Very high15 Ų1562.6 Ų62.68%0.07734%0.337CS..Hα-helixtrans-59.1-45.8176.9-74167.2000110.9I137 L154 Q201 Q202 M208 K209 V215I137-I205 HydrophobicContact CD1-CD1 4.13Å; I137-I205 HydrophobicContact CD1-CG1 3.78Å; L154-I205 HydrophobicContact CD1-CD1 4.04Å; Q201-I205 WeakPolarHBondContact O-CG1 3.48Å; Q201-I205 PolarHBondContact O-N 3.22Å; Q202-I205 PolarHBondContact O-N 2.93Å; I205-M208 PolarHBondContact O-N 2.77Å; I205-K209 HydrophobicContact CG2-CD 4.4Å; I205-K209 WeakPolarHBondContact O-CG 3.08Å; I205-K209 PolarHBondContact O-N 2.87Å; I205-V215 HydrophobicContact CG2-CG1 4.13Å; I205-V215 HydrophobicContact CG2-CG2 4.4Å
206D98.3Very high97.5Very high62 Ų6257 Ų5733%0.33231%0.313SS..Hα-helixtrans-66.6-42.7179.8-65.8-25.7000111.1Q202 I204 M208 K209 E210Q202-D206 VanDerWaalsContact NE2-CG 3.29Å; Q202-D206 PolarHBondContact NE2-OD1 2.82Å; Q202-D206 PolarHBondContact NE2-OD2 3Å; Q202-D206 WeakPolarHBondContact O-CB 3.22Å; Q202-D206 VanDerWaalsContact O-CG 3.27Å; Q202-D206 PolarHBondContact O-N 3.28Å; I204-D206 VanDerWaalsContact C-N 3.33Å; I204-D206 PolarHBondContact O-N 3.49Å; D206-M208 VanDerWaalsContact C-N 3.3Å; D206-M208 PolarHBondContact O-N 2.91Å; D206-K209 WeakPolarHBondContact O-CB 3.06Å; D206-K209 PolarHBondContact O-N 3.41Å; D206-K209 VanDerWaalsContact O-N 3.15Å; D206-K209 IonicContact OD1-NZ 3.68Å; D206-E210 WeakPolarHBondContact O-CG 3.28Å; D206-E210 PolarHBondContact O-N 2.92Å
207G98.5Very high97.5Very high11 Ų1158.6 Ų58.611%0.11333%0.325CS..Hα-helixtrans-59.6-37.4172.700000113.4K203 I204 A211K203-G207 PolarHBondContact O-N 3.02Å; I204-G207 PolarHBondContact O-N 2.92Å; G207-A211 WeakPolarHBondContact O-CB 3.5Å; G207-A211 PolarHBondContact O-N 3.34Å
208M98.5Very high97.4Very high1 Ų162.8 Ų62.81%0.00535%0.347CS..Hα-helixtrans-67.4-40.4174.4-73.7-169.3-171.700112.2I137 V140 W141 F146 L152 I204 I205 D206 A211 G212 V213I137-M208 HydrophobicContact CB-CE 4.44Å; I137-M208 WeakPolarHBondContact O-CE 3.49Å; V140-M208 HydrophobicContact CB-CE 3.72Å; V140-M208 HydrophobicContact CG1-CE 3.43Å; V140-M208 VanDerWaalsContact CG1-CE 3.43Å; V140-M208 HydrophobicContact CG1-SD 4.29Å; W141-M208 HydrophobicContact CB-CE 3.97Å; W141-M208 HydrophobicContact CE3-CE 4.24Å; W141-M208 HydrophobicContact CE3-CG 3.74Å; W141-M208 HydrophobicContact CZ3-CG 3.98Å; F146-M208 HydrophobicContact CB-CG 4.18Å; L152-M208 HydrophobicContact CD2-SD 3.65Å; I204-M208 HydrophobicContact CG2-CE 3.73Å; I204-M208 WeakPolarHBondContact O-CG 3.49Å; I204-M208 PolarHBondContact O-N 3.35Å; I205-M208 PolarHBondContact O-N 2.77Å; D206-M208 VanDerWaalsContact C-N 3.3Å; D206-M208 PolarHBondContact O-N 2.91Å; M208-A211 CarbonylContact O-C 3.39Å; M208-A211 PolarHBondContact O-N 3.39Å; M208-G212 PolarHBondContact O-N 2.89Å; M208-V213 HydrophobicContact CB-CB 4.12Å; M208-V213 HydrophobicContact CB-CG2 4.29Å; M208-V213 VanDerWaalsContact O-CB 3.27Å; M208-V213 WeakPolarHBondContact O-CB 3.32Å; M208-V213 PolarHBondContact O-N 3.42Å
209K98.6Very high97.5Very high99 Ų9960.7 Ų60.743%0.4333%0.326SS..Hα-helixtrans-62.8-44.1174.6-69.5171.2-176.1167.40111.6I205 D206 A211 G212 V215I205-K209 HydrophobicContact CG2-CD 4.4Å; I205-K209 WeakPolarHBondContact O-CG 3.08Å; I205-K209 PolarHBondContact O-N 2.87Å; D206-K209 WeakPolarHBondContact O-CB 3.06Å; D206-K209 PolarHBondContact O-N 3.41Å; D206-K209 VanDerWaalsContact O-N 3.15Å; D206-K209 IonicContact OD1-NZ 3.68Å; K209-A211 PolarHBondContact O-N 2.88Å; K209-G212 PolarHBondContact O-N 2.84Å; K209-V215 HydrophobicContact CG-CB 4.23Å; K209-V215 HydrophobicContact CG-CG2 3.65Å
210E98.5Very high97.4Very high171 Ų17160.2 Ų60.280%0.79933%0.326SS*.Hα-helixtrans-60.9-35.1175.3-72.4175.8-176.300111.9D206 G212D206-E210 WeakPolarHBondContact O-CG 3.28Å; D206-E210 PolarHBondContact O-N 2.92Å; E210-G212 PolarHBondContact O-N 2.85Å
211A98.2Very high97.4Very high52 Ų5261.3 Ų61.343%0.4333%0.326SS..THydrogen-bonded Turntrans-75.11.8173.100000114.2F146 G207 M208 K209F146-A211 HydrophobicContact CD2-CB 3.7Å; F146-A211 HydrophobicContact CE2-CB 4.23Å; G207-A211 WeakPolarHBondContact O-CB 3.5Å; G207-A211 PolarHBondContact O-N 3.34Å; M208-A211 CarbonylContact O-C 3.39Å; M208-A211 PolarHBondContact O-N 3.39Å; K209-A211 PolarHBondContact O-N 2.88Å
212G98.3Very high97.4Very high63 Ų6365.6 Ų65.665%0.64934%0.344SS*.THydrogen-bonded Turntrans87.713.2176.500000115.2M208 K209 E210M208-G212 PolarHBondContact O-N 2.89Å; K209-G212 PolarHBondContact O-N 2.84Å; E210-G212 PolarHBondContact O-N 2.85Å
213V98.8Very high97.4Very high8 Ų861.8 Ų61.85%0.04833%0.33CS..  trans-78.8127.2171.7-178.20000109.6F146 L152 M208 V215F146-V213 HydrophobicContact CB-CG2 3.79Å; L152-V213 HydrophobicContact CB-CG1 3.87Å; M208-V213 HydrophobicContact CB-CB 4.12Å; M208-V213 HydrophobicContact CB-CG2 4.29Å; M208-V213 VanDerWaalsContact O-CB 3.27Å; M208-V213 WeakPolarHBondContact O-CB 3.32Å; M208-V213 PolarHBondContact O-N 3.42Å; V213-V215 HydrophobicContact CG1-CG2 4.5Å; V213-V215 PolarHBondContact O-N 3.49Å
214E98.7Very high97.4Very high98 Ų9855.8 Ų55.846%0.45830%0.304SS..EExtended strand (participates in β ladder)trans-74.8115.4168.5-175.7179.6148.800109.1K150 F151 L152 I216K150-E214 PolarHBondContact O-N 3.23Å; F151-E214 CarbonylContact C-O 3.58Å; F151-E214 WeakPolarHBondContact CA-O 2.85Å; F151-E214 HydrophobicContact CD1-CB 3.83Å; F151-E214 HydrophobicContact CD1-CG 4.32Å; F151-E214 HydrophobicContact CE1-CB 4.21Å; F151-E214 WeakPolarHBondContact CE1-OE2 3.42Å; L152-E214 PolarHBondContact N-O 3.46Å; E214-I216 HydrophobicContact CG-CD1 4.27Å; E214-I216 WeakPolarHBondContact O-CD1 3.44Å
215V98.6Very high97.4Very high22 Ų2256.9 Ų56.913%0.13331%0.313CS..EExtended strand (participates in β ladder)trans-97.4111.8178.8-176.70000109.7L152 L154 I205 K209 V213 T217L152-V215 HydrophobicContact CB-CG2 4.38Å; L152-V215 HydrophobicContact CD2-CG1 4.16Å; L152-V215 HydrophobicContact CD2-CG2 4.23Å; L152-V215 HydrophobicContact CG-CG1 4.4Å; L152-V215 CarbonylContact O-C 3.52Å; L152-V215 WeakPolarHBondContact O-CA 3.08Å; L154-V215 HydrophobicContact CG-CG1 4.42Å; I205-V215 HydrophobicContact CG2-CG1 4.13Å; I205-V215 HydrophobicContact CG2-CG2 4.4Å; K209-V215 HydrophobicContact CG-CB 4.23Å; K209-V215 HydrophobicContact CG-CG2 3.65Å; V213-V215 HydrophobicContact CG1-CG2 4.5Å; V213-V215 PolarHBondContact O-N 3.49Å; V215-T217 HydrophobicContact CG1-CG2 4.08Å
216I98.5Very high97.4Very high2 Ų260.5 Ų60.51%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-90.5109.8178.1-6196.5000108.9P82 K84 F151 L152 L154 E214 L219P82-I216 HydrophobicContact CB-CD1 4.01Å; P82-I216 HydrophobicContact CB-CG1 4.03Å; K84-I216 HydrophobicContact CG-CG2 3.87Å; F151-I216 HydrophobicContact CB-CD1 3.97Å; F151-I216 HydrophobicContact CD1-CD1 4.17Å; L152-I216 PolarHBondContact O-N 3.12Å; L154-I216 PolarHBondContact N-O 3.47Å; L154-I216 VanDerWaalsContact N-O 3.1Å; E214-I216 HydrophobicContact CG-CD1 4.27Å; E214-I216 WeakPolarHBondContact O-CD1 3.44Å; I216-L219 HydrophobicContact CG2-CB 4.28Å; I216-L219 HydrophobicContact CG2-CD2 4.17Å; I216-L219 WeakPolarHBondContact O-CD2 3.3Å
217T96.1Very high97.4Very high94 Ų9459.7 Ų59.758%0.57733%0.334SS*.  trans-106.4-20.1173.461.80000112.1L154 V215 L219L154-T217 HydrophobicContact CD1-CG2 3.8Å; L154-T217 HydrophobicContact CG-CG2 4.44Å; V215-T217 HydrophobicContact CG1-CG2 4.08Å; T217-L219 PolarHBondContact O-N 2.87Å
218D94.7Very high97.3Very high105 Ų10559.5 Ų59.556%0.56133%0.331SS*.  trans-88.664.9178.268.7-38.9000111.5K84K84-D218 IonicContact NZ-OD1 2.8Å; K84-D218 PolarHBondContact NZ-OD1 2.68Å; K84-D218 IonicContact NZ-OD2 3.31Å; K84-D218 PolarHBondContact NZ-OD2 3.49Å
219L96Very high97.2Very high25 Ų2561.4 Ų61.413%0.13135%0.35CS..  trans-120.3152.3178.263.6125.1000112.5L154 T155 I216 T217 R221 F224L154-L219 HydrophobicContact CB-CD2 4.3Å; T155-L219 HydrophobicContact CG2-CD1 4.18Å; I216-L219 HydrophobicContact CG2-CB 4.28Å; I216-L219 HydrophobicContact CG2-CD2 4.17Å; I216-L219 WeakPolarHBondContact O-CD2 3.3Å; T217-L219 PolarHBondContact O-N 2.87Å; L219-R221 HydrophobicContact CD1-CG 3.62Å; L219-R221 HydrophobicContact CG-CG 4.33Å; L219-R221 PolarHBondContact O-N 3.32Å; L219-R221 VanDerWaalsContact O-N 3.12Å; L219-F224 HydrophobicContact CD1-CE2 3.98Å
220D93.4Very high97.1Very high84 Ų8461.2 Ų61.245%0.44935%0.354SS..  trans-86.781.1179.5-172.3-11.1000110.6K84 K222 A223 F224K84-D220 PolarHBondContact O-N 3.35Å; D220-K222 PolarHBondContact O-N 3.41Å; D220-K222 WeakPolarHBondContact OD1-CB 3.37Å; D220-K222 PolarHBondContact OD1-N 3.5Å; D220-K222 VanDerWaalsContact OD1-N 3.09Å; D220-A223 HydrophobicContact CB-CB 3.92Å; D220-A223 VanDerWaalsContact CG-CB 3.47Å; D220-A223 WeakPolarHBondContact O-CB 3.32Å; D220-A223 PolarHBondContact O-N 3.33Å; D220-A223 VanDerWaalsContact O-N 3.1Å; D220-A223 PolarHBondContact OD1-N 2.99Å; D220-A223 WeakPolarHBondContact OD2-CB 3.44Å; D220-F224 WeakPolarHBondContact O-CD2 3.32Å
221R95.1Very high97Very high86 Ų8658.4 Ų58.433%0.32534%0.341SS..Hα-helixtrans-55.7-31.4176.1-72.7-174.266.4-145.91.9112.7T155 H156 L219 F224 S225T155-R221 PolarHBondContact O-NE 3.38Å; H156-R221 PolarHBondContact O-NH2 3Å; L219-R221 HydrophobicContact CD1-CG 3.62Å; L219-R221 HydrophobicContact CG-CG 4.33Å; L219-R221 PolarHBondContact O-N 3.32Å; L219-R221 VanDerWaalsContact O-N 3.12Å; R221-F224 PolarHBondContact O-N 3.25Å; R221-S225 PolarHBondContact O-N 3.39Å
222K95.9Very high97Very high134 Ų13456.1 Ų56.158%0.58332%0.322SS*.Hα-helixtrans-68.4-40.5179.1-167.2-169.9-178.3-53.90110.5D220 F224 S225 D226D220-K222 PolarHBondContact O-N 3.41Å; D220-K222 WeakPolarHBondContact OD1-CB 3.37Å; D220-K222 PolarHBondContact OD1-N 3.5Å; D220-K222 VanDerWaalsContact OD1-N 3.09Å; K222-F224 PolarHBondContact O-N 2.95Å; K222-S225 PolarHBondContact O-N 3.42Å; K222-S225 VanDerWaalsContact O-N 3.11Å; K222-D226 IonicContact NZ-OD1 3.42Å; K222-D226 PolarHBondContact NZ-OD1 3Å; K222-D226 IonicContact NZ-OD2 2.85Å; K222-D226 PolarHBondContact NZ-OD2 3.28Å; K222-D226 WeakPolarHBondContact O-CB 3.39Å; K222-D226 VanDerWaalsContact O-CG 3.25Å; K222-D226 PolarHBondContact O-N 2.93Å
223A97.5Very high97Very high23 Ų2355.8 Ų55.819%0.1930%0.301CS..Hα-helixtrans-57.6-35.4175.100000112.9P86 D220 A227P86-A223 HydrophobicContact CG-CB 4.44Å; P86-A223 WeakPolarHBondContact CG-O 3.41Å; D220-A223 HydrophobicContact CB-CB 3.92Å; D220-A223 VanDerWaalsContact CG-CB 3.47Å; D220-A223 WeakPolarHBondContact O-CB 3.32Å; D220-A223 PolarHBondContact O-N 3.33Å; D220-A223 VanDerWaalsContact O-N 3.1Å; D220-A223 PolarHBondContact OD1-N 2.99Å; D220-A223 WeakPolarHBondContact OD2-CB 3.44Å; A223-A227 VanDerWaalsContact O-CB 3.22Å; A223-A227 WeakPolarHBondContact O-CB 3.28Å; A223-A227 PolarHBondContact O-N 3.32Å
224F97.9Very high96.9Very high2 Ų260.1 Ų60.11%0.00932%0.324CS..Hα-helixtrans-66.2-47.2173.1-66-92.5000112.4F34 V83 T85 P86 L89 F109 T155 L219 D220 R221 K222 A227 L228F34-F224 HydrophobicContact CE1-CB 4.47Å; F34-F224 HydrophobicContact CE2-CB 3.91Å; F34-F224 HydrophobicContact CZ-CB 3.46Å; F34-F224 VanDerWaalsContact CZ-CB 3.46Å; V83-F224 HydrophobicContact CG1-CE1 4.19Å; V83-F224 HydrophobicContact CG1-CZ 3.81Å; T85-F224 WeakPolarHBondContact O-CZ 3.4Å; P86-F224 HydrophobicContact CB-CD1 4.28Å; P86-F224 HydrophobicContact CB-CE1 4.42Å; P86-F224 HydrophobicContact CG-CB 4.27Å; P86-F224 HydrophobicContact CG-CD1 3.72Å; P86-F224 HydrophobicContact CG-CD2 4.4Å; P86-F224 HydrophobicContact CG-CE1 4.11Å; P86-F224 HydrophobicContact CG-CG 3.87Å; L89-F224 HydrophobicContact CD1-CD1 4.33Å; L89-F224 HydrophobicContact CD1-CE1 3.77Å; L89-F224 HydrophobicContact CG-CE1 4.44Å; F109-F224 HydrophobicContact CE1-CB 4.29Å; F109-F224 HydrophobicContact CE1-CD1 4.26Å; F109-F224 VanDerWaalsContact CE1-O 3.31Å; F109-F224 WeakPolarHBondContact CE1-O 3.5Å; F109-F224 HydrophobicContact CE2-CD1 4.25Å; F109-F224 HydrophobicContact CZ-CB 4.09Å; F109-F224 HydrophobicContact CZ-CD1 4.09Å; T155-F224 HydrophobicContact CG2-CE1 4.43Å; T155-F224 HydrophobicContact CG2-CZ 4.23Å; L219-F224 HydrophobicContact CD1-CE2 3.98Å; D220-F224 WeakPolarHBondContact O-CD2 3.32Å; R221-F224 PolarHBondContact O-N 3.25Å; K222-F224 PolarHBondContact O-N 2.95Å; F224-A227 PolarHBondContact O-N 3.45Å; F224-L228 PolarHBondContact O-N 2.98Å
225S97.2Very high96.9Very high37 Ų3758.9 Ų58.926%0.25932%0.319SS..Hα-helixtrans-62.9-44176.6-171.30000111.7R221 K222 A227 L228 G229R221-S225 PolarHBondContact O-N 3.39Å; K222-S225 PolarHBondContact O-N 3.42Å; K222-S225 VanDerWaalsContact O-N 3.11Å; S225-A227 PolarHBondContact O-N 3.28Å; S225-L228 PolarHBondContact O-N 2.93Å; S225-G229 PolarHBondContact O-N 2.88Å
226D98.1Very high96.9Very high92 Ų9257.9 Ų57.949%0.49231%0.312SS..Hα-helixtrans-62.9-39.8178.6-71.1-9000112.1K222 L228 G229K222-D226 IonicContact NZ-OD1 3.42Å; K222-D226 PolarHBondContact NZ-OD1 3Å; K222-D226 IonicContact NZ-OD2 2.85Å; K222-D226 PolarHBondContact NZ-OD2 3.28Å; K222-D226 WeakPolarHBondContact O-CB 3.39Å; K222-D226 VanDerWaalsContact O-CG 3.25Å; K222-D226 PolarHBondContact O-N 2.93Å; D226-L228 VanDerWaalsContact C-N 3.29Å; D226-L228 PolarHBondContact O-N 3.49Å; D226-G229 PolarHBondContact O-N 3.3Å
227A97.7Very high96.8Very high44 Ų4460.2 Ų60.236%0.36433%0.327SS..Hα-helixtrans-65.5-31.4177.100000112.7P86 V108 F109 A223 F224 S225P86-A227 HydrophobicContact CB-CB 4.19Å; P86-A227 HydrophobicContact CG-CB 3.9Å; V108-A227 VanDerWaalsContact CG1-O 3.31Å; V108-A227 WeakPolarHBondContact CG1-O 3.39Å; F109-A227 HydrophobicContact CD1-CB 4.34Å; F109-A227 HydrophobicContact CE1-CB 4.21Å; A223-A227 VanDerWaalsContact O-CB 3.22Å; A223-A227 WeakPolarHBondContact O-CB 3.28Å; A223-A227 PolarHBondContact O-N 3.32Å; F224-A227 PolarHBondContact O-N 3.45Å; S225-A227 PolarHBondContact O-N 3.28Å
228L97.1Very high96.9Very high8 Ų863.7 Ų63.74%0.04233%0.334CS..Hα-helixtrans-75.4-35172.3-67.5177.2000112.5P33 F34 A105 V108 F109 F224 S225 D226 N230 Q231 V232P33-L228 HydrophobicContact CB-CD1 3.64Å; P33-L228 HydrophobicContact CG-CD1 4.04Å; F34-L228 HydrophobicContact CD2-CD1 3.77Å; F34-L228 HydrophobicContact CE2-CD1 3.75Å; A105-L228 HydrophobicContact CB-CD1 4.39Å; A105-L228 HydrophobicContact CB-CD2 3.98Å; V108-L228 HydrophobicContact CB-CD2 3.82Å; V108-L228 HydrophobicContact CG1-CD2 3.87Å; V108-L228 HydrophobicContact CG2-CD2 4.37Å; F109-L228 HydrophobicContact CD1-CD2 4.29Å; F109-L228 HydrophobicContact CE1-CD1 4.19Å; F109-L228 HydrophobicContact CE1-CD2 3.61Å; F109-L228 HydrophobicContact CE1-CG 3.52Å; F109-L228 HydrophobicContact CE2-CD2 4.38Å; F109-L228 HydrophobicContact CZ-CD1 3.65Å; F109-L228 HydrophobicContact CZ-CD2 3.66Å; F109-L228 HydrophobicContact CZ-CG 3.51Å; F224-L228 PolarHBondContact O-N 2.98Å; S225-L228 PolarHBondContact O-N 2.93Å; D226-L228 VanDerWaalsContact C-N 3.29Å; D226-L228 PolarHBondContact O-N 3.49Å; L228-N230 PolarHBondContact O-N 3.4Å; L228-Q231 WeakPolarHBondContact O-CB 3.47Å; L228-Q231 WeakPolarHBondContact O-CG 3.26Å; L228-Q231 PolarHBondContact O-N 3.03Å; L228-V232 HydrophobicContact CD2-CG2 4.15Å
229G95.9Very high97Very high40 Ų4063.2 Ų63.241%0.41233%0.331SS..THydrogen-bonded Turntrans50.4-126.2-169.400000110.8S225 D226S225-G229 PolarHBondContact O-N 2.88Å; D226-G229 PolarHBondContact O-N 3.3Å
230N96.5Very high97Very high96 Ų9662.2 Ų62.251%0.51333%0.326SS..THydrogen-bonded Turntrans-100.12.3175.9-68.2-28.7000113.9L228 V232 R233 D234L228-N230 PolarHBondContact O-N 3.4Å; N230-V232 VanDerWaalsContact C-N 3.32Å; N230-V232 PolarHBondContact O-N 3.36Å; N230-V232 VanDerWaalsContact O-N 3.15Å; N230-R233 CarbonylContact O-C 3.49Å; N230-R233 WeakPolarHBondContact O-CA 3.47Å; N230-R233 WeakPolarHBondContact O-CB 3.39Å; N230-R233 PolarHBondContact O-N 3.14Å; N230-D234 WeakPolarHBondContact O-CB 3.24Å; N230-D234 VanDerWaalsContact O-CG 3.22Å; N230-D234 PolarHBondContact O-N 3.42Å
231Q97.7Very high97.1Very high112 Ų11262.2 Ų62.252%0.52333%0.331SS..Hα-helixtrans-56.9-42.1-167.6-64.9-175.1-61.800113.5V108 L228 M235V108-Q231 VanDerWaalsContact CG1-OE1 3.31Å; L228-Q231 WeakPolarHBondContact O-CB 3.47Å; L228-Q231 WeakPolarHBondContact O-CG 3.26Å; L228-Q231 PolarHBondContact O-N 3.03Å; Q231-M235 WeakPolarHBondContact O-CB 3.46Å; Q231-M235 PolarHBondContact O-N 3.21Å
232V97.5Very high96.9Very high4 Ų464.1 Ų64.12%0.02434%0.344CS..Hα-helixtrans-78.3-34.1179-174.60000111.7P33 M101 A104 A105 L228 N230 M235 F236P33-V232 HydrophobicContact CG-CG1 4.42Å; M101-V232 HydrophobicContact CB-CG1 3.87Å; M101-V232 HydrophobicContact CG-CG1 4.29Å; M101-V232 HydrophobicContact SD-CG1 3.63Å; A104-V232 HydrophobicContact CB-CG2 4.18Å; A105-V232 HydrophobicContact CB-CG2 4.41Å; L228-V232 HydrophobicContact CD2-CG2 4.15Å; N230-V232 VanDerWaalsContact C-N 3.32Å; N230-V232 PolarHBondContact O-N 3.36Å; N230-V232 VanDerWaalsContact O-N 3.15Å; V232-M235 PolarHBondContact O-N 3.1Å; V232-F236 PolarHBondContact O-N 2.75Å
233R97.9Very high96.9Very high55 Ų5557.8 Ų57.821%0.20832%0.316CS..Hα-helixtrans-61.5-46.7171.7-78.2-177.4160.5111.6-3.9111.1V32 N230 M235 F236 V237 L247 D251V32-R233 HydrophobicContact CG1-CG 3.87Å; N230-R233 CarbonylContact O-C 3.49Å; N230-R233 WeakPolarHBondContact O-CA 3.47Å; N230-R233 WeakPolarHBondContact O-CB 3.39Å; N230-R233 PolarHBondContact O-N 3.14Å; R233-M235 VanDerWaalsContact C-N 3.35Å; R233-M235 PolarHBondContact O-N 2.98Å; R233-F236 WeakPolarHBondContact O-CB 2.99Å; R233-F236 PolarHBondContact O-N 2.94Å; R233-V237 WeakPolarHBondContact O-CG2 3.29Å; R233-V237 PolarHBondContact O-N 3.14Å; R233-L247 HydrophobicContact CB-CD2 4.14Å; R233-L247 HydrophobicContact CG-CD1 4.49Å; R233-L247 HydrophobicContact CG-CD2 4.2Å; R233-D251 IonicContact NH2-OD1 2.8Å; R233-D251 PolarHBondContact NH2-OD1 3.41Å
234D98Very high96.9Very high100 Ų10058.2 Ų58.254%0.53532%0.32SS..Hα-helixtrans-64.7-39.7178.1-64.7-19.4000111.3N230 V237 K238N230-D234 WeakPolarHBondContact O-CB 3.24Å; N230-D234 VanDerWaalsContact O-CG 3.22Å; N230-D234 PolarHBondContact O-N 3.42Å; D234-V237 PolarHBondContact O-N 3.08Å; D234-K238 VanDerWaalsContact O-CB 3.29Å; D234-K238 WeakPolarHBondContact O-CB 3.47Å; D234-K238 PolarHBondContact O-N 3.32Å
235M97.7Very high96.9Very high72 Ų7264.5 Ų64.536%0.35535%0.353SS..Hα-helixtrans-60.9-46.1173-175-179.8-64.800111.5M101 A104 Q231 V232 R233 K238 D239M101-M235 HydrophobicContact CE-CG 4.11Å; M101-M235 HydrophobicContact CE-SD 4.17Å; A104-M235 HydrophobicContact CB-CE 3.76Å; A104-M235 HydrophobicContact CB-SD 3.71Å; Q231-M235 WeakPolarHBondContact O-CB 3.46Å; Q231-M235 PolarHBondContact O-N 3.21Å; V232-M235 PolarHBondContact O-N 3.1Å; R233-M235 VanDerWaalsContact C-N 3.35Å; R233-M235 PolarHBondContact O-N 2.98Å; M235-K238 PolarHBondContact O-N 3.19Å; M235-D239 WeakPolarHBondContact O-CB 3.42Å; M235-D239 PolarHBondContact O-N 2.77Å
236F97.8Very high96.9Very high0 Ų063.8 Ų63.80%035%0.346CS..Hα-helixtrans-58.9-48.9176.1171.1-104.4000112N28 L29 V32 M101 V232 R233 K238 D239 V240 G243 L247N28-F236 HydrophobicContact CB-CD2 4.11Å; N28-F236 HydrophobicContact CB-CE2 4.15Å; L29-F236 HydrophobicContact CB-CE1 4.24Å; L29-F236 HydrophobicContact CB-CE2 3.91Å; L29-F236 HydrophobicContact CB-CZ 3.58Å; L29-F236 HydrophobicContact CD1-CD1 4.39Å; L29-F236 HydrophobicContact CD1-CE1 3.75Å; L29-F236 HydrophobicContact CD1-CZ 3.99Å; L29-F236 HydrophobicContact CG-CZ 4.32Å; V32-F236 HydrophobicContact CG2-CB 3.96Å; V32-F236 HydrophobicContact CG2-CD1 4.49Å; V32-F236 HydrophobicContact CG2-CD2 4.42Å; V32-F236 HydrophobicContact CG2-CG 4.03Å; M101-F236 HydrophobicContact SD-CB 3.79Å; V232-F236 PolarHBondContact O-N 2.75Å; R233-F236 WeakPolarHBondContact O-CB 2.99Å; R233-F236 PolarHBondContact O-N 2.94Å; F236-K238 VanDerWaalsContact C-N 3.3Å; F236-K238 PolarHBondContact O-N 2.63Å; F236-D239 PolarHBondContact O-N 3Å; F236-V240 HydrophobicContact CD2-CB 4.31Å; F236-V240 HydrophobicContact CD2-CG2 4.19Å; F236-V240 HydrophobicContact CE2-CB 3.88Å; F236-V240 HydrophobicContact CE2-CG1 4.32Å; F236-V240 HydrophobicContact CE2-CG2 3.94Å; F236-V240 HydrophobicContact CZ-CB 4.22Å; F236-V240 HydrophobicContact CZ-CG1 4.42Å; F236-V240 WeakPolarHBondContact O-CA 3.27Å; F236-V240 WeakPolarHBondContact O-CB 3.47Å; F236-V240 PolarHBondContact O-N 3.17Å; F236-G243 WeakPolarHBondContact CE1-O 3.44Å; F236-L247 HydrophobicContact CD1-CB 4.44Å; F236-L247 HydrophobicContact CD1-CD2 4.21Å; F236-L247 HydrophobicContact CE1-CB 4.16Å
237V98Very high96.9Very high52 Ų5260 Ų6032%0.31533%0.326SS..Hα-helixtrans-63-38179.1170.70000111.6R233 D234 V240 P241 A244 L247R233-V237 WeakPolarHBondContact O-CG2 3.29Å; R233-V237 PolarHBondContact O-N 3.14Å; D234-V237 PolarHBondContact O-N 3.08Å; V237-V240 CarbonylContact O-C 3.56Å; V237-P241 WeakPolarHBondContact O-CA 3.42Å; V237-A244 HydrophobicContact CG1-CB 4.02Å; V237-A244 HydrophobicContact CG2-CB 4.19Å; V237-L247 HydrophobicContact CG2-CD2 3.83Å
238K97.8Very high96.9Very high167 Ų16763.9 Ų63.973%0.72634%0.335SS*.Hα-helixtrans-64.8-46.3176.4-179.7-173.2173.7-171.60112.1D234 M235 F236D234-K238 VanDerWaalsContact O-CB 3.29Å; D234-K238 WeakPolarHBondContact O-CB 3.47Å; D234-K238 PolarHBondContact O-N 3.32Å; M235-K238 PolarHBondContact O-N 3.19Å; F236-K238 VanDerWaalsContact C-N 3.3Å; F236-K238 PolarHBondContact O-N 2.63Å
239D95.9Very high97Very high94 Ų9465 Ų6550%0.50335%0.345SS..Hα-helixtrans-80.2-25.8-175.3-67.8-11.9000112.2M235 F236M235-D239 WeakPolarHBondContact O-CB 3.42Å; M235-D239 PolarHBondContact O-N 2.77Å; F236-D239 PolarHBondContact O-N 3Å
240V96.1Very high97.1Very high4 Ų463 Ų632%0.02433%0.325CS..  trans-134.374179.9-1660000110.2P25 V26 F236 V237 Q242 G243P25-V240 HydrophobicContact CB-CG2 4.04Å; V26-V240 HydrophobicContact CB-CG1 4.1Å; V26-V240 HydrophobicContact CG2-CG1 4.33Å; F236-V240 HydrophobicContact CD2-CB 4.31Å; F236-V240 HydrophobicContact CD2-CG2 4.19Å; F236-V240 HydrophobicContact CE2-CB 3.88Å; F236-V240 HydrophobicContact CE2-CG1 4.32Å; F236-V240 HydrophobicContact CE2-CG2 3.94Å; F236-V240 HydrophobicContact CZ-CB 4.22Å; F236-V240 HydrophobicContact CZ-CG1 4.42Å; F236-V240 WeakPolarHBondContact O-CA 3.27Å; F236-V240 WeakPolarHBondContact O-CB 3.47Å; F236-V240 PolarHBondContact O-N 3.17Å; V237-V240 CarbonylContact O-C 3.56Å; V240-Q242 VanDerWaalsContact C-N 3.27Å; V240-Q242 VanDerWaalsContact CG1-CD 3.5Å; V240-Q242 HydrophobicContact CG1-CG 4.15Å; V240-Q242 PolarHBondContact O-N 2.64Å; V240-G243 WeakPolarHBondContact O-CA 3.3Å; V240-G243 PolarHBondContact O-N 2.66Å
241P95.7Very high97.1Very high85 Ų8561.8 Ų61.855%0.55232%0.319SS*.G310 helixtrans-57.3-35.9-176-27.236.1000114.3V237 G243 A244V237-P241 WeakPolarHBondContact O-CA 3.42Å; P241-G243 PolarHBondContact O-N 2.89Å; P241-A244 WeakPolarHBondContact O-CB 3.38Å; P241-A244 PolarHBondContact O-N 2.72Å; P241-A244 VanDerWaalsContact O-N 3.16Å
242Q92.2Very high97.1Very high126 Ų12662 Ų6259%0.58932%0.319SS*.G310 helixtrans-66.8-14.2175.173.4-82.825.300113.6V240V240-Q242 VanDerWaalsContact C-N 3.27Å; V240-Q242 VanDerWaalsContact CG1-CD 3.5Å; V240-Q242 HydrophobicContact CG1-CG 4.15Å; V240-Q242 PolarHBondContact O-N 2.64Å
243G95.4Very high97.1Very high0 Ų063 Ų630%033%0.326CS..G310 helixtrans-82.2-11.4175.400000113.6F236 V240 P241 D245 L246 L247F236-G243 WeakPolarHBondContact CE1-O 3.44Å; V240-G243 WeakPolarHBondContact O-CA 3.3Å; V240-G243 PolarHBondContact O-N 2.66Å; P241-G243 PolarHBondContact O-N 2.89Å; G243-D245 PolarHBondContact O-N 3.47Å; G243-L246 PolarHBondContact O-N 3.4Å; G243-L247 PolarHBondContact O-N 3.46Å
244A97Very high96.7Very high33 Ų3368.7 Ų68.727%0.27336%0.355SS..Hα-helixtrans-59.7-44.8-177.400000112.7V237 P241 L246 L247 K248V237-A244 HydrophobicContact CG1-CB 4.02Å; V237-A244 HydrophobicContact CG2-CB 4.19Å; P241-A244 WeakPolarHBondContact O-CB 3.38Å; P241-A244 PolarHBondContact O-N 2.72Å; P241-A244 VanDerWaalsContact O-N 3.16Å; A244-L246 VanDerWaalsContact C-N 3.31Å; A244-L246 PolarHBondContact O-N 3.32Å; A244-L247 PolarHBondContact O-N 3.09Å; A244-K248 PolarHBondContact O-N 3.29Å
245D97.4Very high96.6Very high133 Ų13367.2 Ų67.271%0.71135%0.346SS*.Hα-helixtrans-65.5-37177.5-69.9-23.3000111.5G243 A249G243-D245 PolarHBondContact O-N 3.47Å; D245-A249 VanDerWaalsContact O-CB 3.27Å; D245-A249 WeakPolarHBondContact O-CB 3.35Å; D245-A249 PolarHBondContact O-N 2.92Å
246L97.9Very high96.5Very high22 Ų2266.9 Ų66.912%0.11535%0.345CS..Hα-helixtrans-68.3-42.1175.6-68.8170.4000111.5V26 L29 V50 D53 L54 G243 A244 K248 A249 V250V26-L246 HydrophobicContact CG2-CD1 3.43Å; V26-L246 VanDerWaalsContact CG2-CD1 3.43Å; L29-L246 HydrophobicContact CD2-CB 3.66Å; V50-L246 HydrophobicContact CG1-CD2 4.29Å; D53-L246 HydrophobicContact CB-CD2 3.81Å; L54-L246 HydrophobicContact CD2-CD1 4.36Å; G243-L246 PolarHBondContact O-N 3.4Å; A244-L246 VanDerWaalsContact C-N 3.31Å; A244-L246 PolarHBondContact O-N 3.32Å; L246-K248 VanDerWaalsContact C-N 3.32Å; L246-K248 PolarHBondContact O-N 3Å; L246-A249 PolarHBondContact O-N 3.11Å; L246-A249 VanDerWaalsContact O-N 3.17Å; L246-V250 WeakPolarHBondContact O-CG2 3.14Å; L246-V250 PolarHBondContact O-N 3.11Å
247L98.1Very high96.5Very high13 Ų1370.6 Ų70.67%0.06837%0.365CS..Hα-helixtrans-57.3-47.6175.7177.661.8000110.9L29 L35 R233 F236 V237 G243 A244 V250 D251L29-L247 HydrophobicContact CD1-CB 3.91Å; L29-L247 HydrophobicContact CD1-CD1 3.79Å; L29-L247 HydrophobicContact CD1-CG 4.47Å; L35-L247 HydrophobicContact CD1-CD1 3.51Å; R233-L247 HydrophobicContact CB-CD2 4.14Å; R233-L247 HydrophobicContact CG-CD1 4.49Å; R233-L247 HydrophobicContact CG-CD2 4.2Å; F236-L247 HydrophobicContact CD1-CB 4.44Å; F236-L247 HydrophobicContact CD1-CD2 4.21Å; F236-L247 HydrophobicContact CE1-CB 4.16Å; V237-L247 HydrophobicContact CG2-CD2 3.83Å; G243-L247 PolarHBondContact O-N 3.46Å; A244-L247 PolarHBondContact O-N 3.09Å; L247-V250 WeakPolarHBondContact O-CB 3.44Å; L247-V250 PolarHBondContact O-N 3.29Å; L247-D251 PolarHBondContact O-N 3.39Å
248K97.8Very high96.4Very high125 Ų12571.7 Ų71.754%0.54337%0.367SS..Hα-helixtrans-61.7-43.9175-177.9179.1170.8-1740112A244 L246 V250 D251 E252A244-K248 PolarHBondContact O-N 3.29Å; L246-K248 VanDerWaalsContact C-N 3.32Å; L246-K248 PolarHBondContact O-N 3Å; K248-V250 VanDerWaalsContact C-N 3.27Å; K248-V250 PolarHBondContact O-N 3.42Å; K248-D251 PolarHBondContact O-N 3.43Å; K248-D251 VanDerWaalsContact O-N 3.14Å; K248-E252 WeakPolarHBondContact CE-OE1 3.36Å; K248-E252 IonicContact NZ-OE1 2.72Å; K248-E252 WeakPolarHBondContact O-CG 3.45Å; K248-E252 PolarHBondContact O-N 2.94Å; K248-E252 VanDerWaalsContact O-N 3.14Å
249A98.1Very high96.3Very high31 Ų3165.8 Ų65.826%0.25635%0.345SS..Hα-helixtrans-62.8-33.3178.700000112.4V50 D245 L246 E252 V253V50-A249 HydrophobicContact CG2-CB 3.62Å; D245-A249 VanDerWaalsContact O-CB 3.27Å; D245-A249 WeakPolarHBondContact O-CB 3.35Å; D245-A249 PolarHBondContact O-N 2.92Å; L246-A249 PolarHBondContact O-N 3.11Å; L246-A249 VanDerWaalsContact O-N 3.17Å; A249-E252 PolarHBondContact O-N 2.96Å; A249-V253 WeakPolarHBondContact O-CG2 3.35Å; A249-V253 PolarHBondContact O-N 2.91Å
250V98.4Very high96.3Very high0 Ų063.9 Ų63.90%034%0.335CS..Hα-helixtrans-60.4-50.5171.6176.50000110.1L29 L35 F36 H41 T45 V50 L246 L247 K248 E252 V253L29-V250 HydrophobicContact CD1-CG2 4.44Å; L29-V250 HydrophobicContact CD2-CG2 4.01Å; L29-V250 HydrophobicContact CG-CG2 4.46Å; L35-V250 HydrophobicContact CD1-CB 4.12Å; L35-V250 HydrophobicContact CD1-CG1 3.75Å; L35-V250 HydrophobicContact CD1-CG2 4.36Å; L35-V250 HydrophobicContact CD2-CG1 4.22Å; L35-V250 HydrophobicContact CD2-CG2 4.48Å; L35-V250 HydrophobicContact CG-CG1 3.76Å; F36-V250 HydrophobicContact CD1-CG1 4.17Å; F36-V250 HydrophobicContact CE1-CG1 3.97Å; H41-V250 PolarHBondContact NE2-O 2.98Å; T45-V250 HydrophobicContact CG2-CB 4.31Å; T45-V250 HydrophobicContact CG2-CG1 4.08Å; T45-V250 HydrophobicContact CG2-CG2 3.85Å; V50-V250 HydrophobicContact CG1-CG2 3.79Å; V50-V250 HydrophobicContact CG2-CG2 4.33Å; L246-V250 WeakPolarHBondContact O-CG2 3.14Å; L246-V250 PolarHBondContact O-N 3.11Å; L247-V250 WeakPolarHBondContact O-CB 3.44Å; L247-V250 PolarHBondContact O-N 3.29Å; K248-V250 VanDerWaalsContact C-N 3.27Å; K248-V250 PolarHBondContact O-N 3.42Å; V250-E252 PolarHBondContact O-N 2.89Å; V250-V253 PolarHBondContact O-N 3.02Å; V250-V253 VanDerWaalsContact O-N 3.16Å
251D97Very high96.3Very high69 Ų6968.1 Ų68.137%0.36936%0.357SS..Hα-helixtrans-61.4-29.6-177.8-67.3-33.7000112.4R233 L247 K248R233-D251 IonicContact NH2-OD1 2.8Å; R233-D251 PolarHBondContact NH2-OD1 3.41Å; L247-D251 PolarHBondContact O-N 3.39Å; K248-D251 PolarHBondContact O-N 3.43Å; K248-D251 VanDerWaalsContact O-N 3.14Å
252E97.7Very high96.4Very high116 Ų11666.8 Ų66.854%0.54234%0.342SS..Hα-helixtrans-78.5-17.2179.9-71.6176.7171.400114.4K248 A249 V250 Q254K248-E252 WeakPolarHBondContact CE-OE1 3.36Å; K248-E252 IonicContact NZ-OE1 2.72Å; K248-E252 WeakPolarHBondContact O-CG 3.45Å; K248-E252 PolarHBondContact O-N 2.94Å; K248-E252 VanDerWaalsContact O-N 3.14Å; A249-E252 PolarHBondContact O-N 2.96Å; V250-E252 PolarHBondContact O-N 2.89Å; E252-Q254 PolarHBondContact O-N 3.15Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; E252-Q254 PolarHBondContact O-NE2 2.89Å; E252-Q254 VanDerWaalsContact O-NE2 3.1Å
253V97.1Very high96.7Very high26 Ų2661.9 Ų61.916%0.15832%0.321CS..  trans-63.1113.8175.9176.70000108.7R37 H41 K44 T45 A249 V250R37-V253 PolarHBondContact NH1-O 3.05Å; R37-V253 PolarHBondContact NH2-O 2.86Å; H41-V253 PolarHBondContact CD2-O 3.01Å; H41-V253 PolarHBondContact NE2-O 2.99Å; K44-V253 HydrophobicContact CB-CG1 3.95Å; K44-V253 HydrophobicContact CD-CG1 3.65Å; K44-V253 HydrophobicContact CG-CG1 3.61Å; T45-V253 HydrophobicContact CG2-CG2 4.4Å; A249-V253 WeakPolarHBondContact O-CG2 3.35Å; A249-V253 PolarHBondContact O-N 2.91Å; V250-V253 PolarHBondContact O-N 3.02Å; V250-V253 VanDerWaalsContact O-N 3.16Å
254Q88.8Confident96.8Very high175 Ų17567.5 Ų67.582%0.81835%0.35SS*.  trans-72.70-179-62.5-58.8-63.600112.7R37 K44 E252R37-Q254 PolarHBondContact NH2-OXT 3.42Å; K44-Q254 VanDerWaalsContact CD-O 3.29Å; K44-Q254 WeakPolarHBondContact CD-O 3.43Å; K44-Q254 WeakPolarHBondContact CE-O 3.4Å; K44-Q254 PolarHBondContact NZ-O 2.66Å; E252-Q254 PolarHBondContact O-N 3.15Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; E252-Q254 PolarHBondContact O-NE2 2.89Å; E252-Q254 VanDerWaalsContact O-NE2 3.1Å

Retrieved 254 of 254 residues in 298.1 ms (Link to these results)

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