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5-methyltetrahydropteroyltriglutamate--homocysteine S-methyltransferase

Catalyzes the transfer of a methyl group from 5-methyltetrahydrofolate to homocysteine resulting in methionine formation.

AlphaFold DB , UniProt , Accession A0A077ZKA0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 753 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
1M78.4Confident96.3Very high163 Ų16329.5 Ų29.580%0.80316%0.159SC*.  0142.60-67.6123.9158.900108.1D316M1-D316 VanDerWaalsContact CB-OD1 3.3Å; M1-D316 WeakPolarHBondContact CB-OD1 3.41Å; M1-D316 WeakPolarHBondContact CE-OD1 3.33Å; M1-D316 WeakPolarHBondContact CG-OD1 3.23Å
2T93.5Very high96.4Very high109 Ų10927.3 Ų27.367%0.66915%0.147SC*.  trans-82.4122.8177-56.90000109
3I98.1Very high96.5Very high9 Ų925.7 Ų25.75%0.04614%0.138CC..  trans-70.3130.6174.6-65.2168.3000107.9V312 L317 V319 R360 L363 N364I3-V312 HydrophobicContact CD1-CG1 4.01Å; I3-V312 HydrophobicContact CD1-CG2 4.11Å; I3-L317 WeakPolarHBondContact CA-O 3.43Å; I3-L317 HydrophobicContact CD1-CD2 4.02Å; I3-L317 HydrophobicContact CG1-CB 4.3Å; I3-L317 WeakPolarHBondContact CG2-O 3.48Å; I3-V319 HydrophobicContact CG2-CG1 4.39Å; I3-R360 HydrophobicContact CG2-CG 4.47Å; I3-R360 VanDerWaalsContact O-CG 3.25Å; I3-R360 WeakPolarHBondContact O-CG 3.47Å; I3-L363 HydrophobicContact CD1-CB 3.64Å; I3-N364 PolarHBondContact N-OD1 3.29Å; I3-N364 PolarHBondContact O-ND2 3.4Å
4L98.3Very high96.5Very high35 Ų3524 Ų2418%0.18313%0.13CC..EExtended strand (participates in β ladder)trans-104.7159.8172.6-56.8-179.4000110D57 W318 V319L4-D57 WeakPolarHBondContact CA-OD2 3.29Å; L4-D57 HydrophobicContact CB-CB 4.27Å; L4-D57 HydrophobicContact CD2-CB 4.21Å; L4-W318 HydrophobicContact CB-CG 4.22Å; L4-W318 HydrophobicContact CD1-CZ2 4.32Å; L4-W318 CarbonylContact O-C 3.59Å; L4-W318 VanDerWaalsContact O-CA 3.23Å; L4-W318 WeakPolarHBondContact O-CA 3.38Å; L4-W318 WeakPolarHBondContact O-CB 3.14Å; L4-V319 PolarHBondContact O-N 3.03Å
5N98.8Very high96.4Very high0 Ų025.3 Ų25.30%014%0.137CC..EExtended strand (participates in β ladder)trans-109.7157164.766.720.1000112.6G55 I56 D57 L58 V319 L356 A357 R360N5-G55 PolarHBondContact ND2-O 3.47Å; N5-G55 PolarHBondContact OD1-O 3.33Å; N5-I56 VanDerWaalsContact OD1-CA 3.23Å; N5-I56 WeakPolarHBondContact OD1-CA 3.27Å; N5-D57 PolarHBondContact N-OD2 2.88Å; N5-D57 PolarHBondContact OD1-N 3.41Å; N5-D57 PolarHBondContact OD1-OD2 2.7Å; N5-L58 PolarHBondContact O-N 3.13Å; N5-V319 WeakPolarHBondContact CA-O 3.5Å; N5-V319 HydrophobicContact CB-CG2 3.66Å; N5-L356 HydrophobicContact CB-CB 4.07Å; N5-L356 PolarHBondContact ND2-O 2.86Å; N5-A357 VanDerWaalsContact ND2-CA 3.25Å; N5-A357 WeakPolarHBondContact ND2-CA 3.44Å; N5-A357 PolarHBondContact ND2-N 2.94Å; N5-R360 HydrophobicContact CB-CB 4.15Å
6H98.8Very high96.3Very high0 Ų034.9 Ų34.90%017%0.17CC..EExtended strand (participates in β ladder)trans-155.3162.5171.777.7116000111.7L58 K158 S287 W318 V319 A320H6-L58 HydrophobicContact CB-CB 4Å; H6-L58 WeakPolarHBondContact CB-O 3.46Å; H6-K158 WeakPolarHBondContact ND1-CE 3.48Å; H6-K158 PolarHBondContact ND1-NZ 3.27Å; H6-S287 PolarHBondContact NE2-OG 3.33Å; H6-W318 AromaticContact CD2-CE3 3.82Å; H6-W318 AromaticContact NE2-CE3 3.98Å; H6-V319 PolarHBondContact N-O 3.07Å; H6-V319 VanDerWaalsContact N-O 3.1Å; H6-A320 WeakPolarHBondContact NE2-CB 3.3Å; H6-A320 VanDerWaalsContact O-CA 3.28Å; H6-A320 WeakPolarHBondContact O-CA 3.2Å
7T98.7Very high96.4Very high0 Ų036.5 Ų36.50%017%0.174CC..  trans-108.5149.6167.955.10000109.4G9 Q51 I56 P60 L325 L356T7-G9 VanDerWaalsContact C-N 3.27Å; T7-Q51 PolarHBondContact OG1-OE1 3.29Å; T7-I56 HydrophobicContact CG2-CD1 4.02Å; T7-I56 HydrophobicContact CG2-CG1 4.3Å; T7-P60 WeakPolarHBondContact OG1-CD 3.5Å; T7-P60 WeakPolarHBondContact OG1-CG 3.39Å; T7-L325 HydrophobicContact CG2-CD1 3.75Å; T7-L325 HydrophobicContact CG2-CG 4.44Å; T7-L356 HydrophobicContact CG2-CD1 3.88Å
8L98.8Very high96.5Very high2 Ų237.4 Ų37.41%0.0118%0.178CC..SBendtrans-78.1-16.2177.7-89.560000113Q207 T241 Y243 H263 A320 S321L8-Q207 PolarHBondContact O-NE2 3.4Å; L8-T241 HydrophobicContact CD2-CG2 3.58Å; L8-T241 HydrophobicContact CG-CG2 4.01Å; L8-Y243 HydrophobicContact CD2-CD1 3.79Å; L8-Y243 HydrophobicContact CD2-CE1 4.33Å; L8-H263 VanDerWaalsContact CD2-NE2 3.33Å; L8-H263 WeakPolarHBondContact CD2-NE2 3.37Å; L8-A320 HydrophobicContact CD1-CB 3.99Å; L8-S321 WeakPolarHBondContact CD1-O 3.36Å; L8-S321 PolarHBondContact N-OG 3.26Å
9G98.7Very high96.6Very high0 Ų035.4 Ų35.40%017%0.169CC..  trans167.4165.7-179.700000110.1T7 S324 L325T7-G9 VanDerWaalsContact C-N 3.27Å; G9-S324 WeakPolarHBondContact CA-OG 3.22Å; G9-L325 WeakPolarHBondContact O-CB 3.43Å; G9-L325 PolarHBondContact O-N 3.45Å
10F98.8Very high96.6Very high2 Ų235.5 Ų35.51%0.00917%0.168CC..  trans-127.7151.4-175.6-159.5-99.4000112.2R12 H47 Q51 D63 L325 I330 A349 L350F10-R12 PolarHBondContact O-N 3.22Å; F10-H47 HydrophobicContact CD1-CB 3.74Å; F10-H47 AromaticContact CD1-CG 3.75Å; F10-H47 HydrophobicContact CE1-CB 4.1Å; F10-H47 AromaticContact CE1-CG 3.95Å; F10-Q51 HydrophobicContact CD2-CG 3.53Å; F10-Q51 HydrophobicContact CE2-CG 3.69Å; F10-Q51 HydrophobicContact CG-CG 4.15Å; F10-Q51 HydrophobicContact CZ-CG 4.42Å; F10-D63 PolarHBondContact N-OD2 2.78Å; F10-L325 HydrophobicContact CD2-CD1 4.28Å; F10-L325 HydrophobicContact CE2-CD1 4.5Å; F10-I330 HydrophobicContact CE1-CG2 4.32Å; F10-I330 HydrophobicContact CZ-CG2 4.32Å; F10-A349 HydrophobicContact CD2-CB 4.34Å; F10-A349 HydrophobicContact CE2-CB 3.65Å; F10-A349 HydrophobicContact CZ-CB 3.92Å; F10-L350 HydrophobicContact CE2-CD2 4.04Å; F10-L350 HydrophobicContact CZ-CD2 3.58Å; F10-L350 HydrophobicContact CZ-CG 4.28Å
11P98.5Very high96.7Very high4 Ų439.6 Ų39.63%0.02619%0.185CC..  trans-60.7122.9175.2-17.324.9000112.2H47 L325 S328 I330 A349P11-H47 PolarHBondContact O-CE1 3.17Å; P11-H47 VanDerWaalsContact O-CE1 3.22Å; P11-H47 PolarHBondContact O-ND1 2.99Å; P11-L325 WeakPolarHBondContact CD-O 3.28Å; P11-L325 VanDerWaalsContact CG-O 3.24Å; P11-L325 WeakPolarHBondContact CG-O 3.44Å; P11-S328 VanDerWaalsContact CG-O 3.23Å; P11-S328 WeakPolarHBondContact CG-O 3.44Å; P11-I330 HydrophobicContact CB-CD1 4.14Å; P11-I330 HydrophobicContact CB-CG1 3.61Å; P11-I330 HydrophobicContact CG-CG1 3.89Å; P11-A349 HydrophobicContact CG-CB 3.87Å
12R98.1Very high97.6Very high4 Ų432.5 Ų32.52%0.01515%0.152CC..  trans-87.9-16.5-174.361.2-170.8-178.9-151.33.7115.6F10 G14 L19 F64 A65 Y67 Y123 Q510F10-R12 PolarHBondContact O-N 3.22Å; R12-G14 PolarHBondContact O-N 3.22Å; R12-L19 HydrophobicContact CB-CD2 4.32Å; R12-L19 HydrophobicContact CG-CD2 4.05Å; R12-F64 HydrophobicContact CB-CD2 3.81Å; R12-F64 HydrophobicContact CB-CE2 4.27Å; R12-A65 VanDerWaalsContact CD-O 3.31Å; R12-A65 WeakPolarHBondContact CD-O 3.48Å; R12-A65 PolarHBondContact NE-O 3.29Å; R12-Y67 PolarHBondContact NH2-O 2.96Å; R12-Y123 PolarHBondContact NH2-OH 3Å; R12-Q510 VanDerWaalsContact CZ-OE1 3.3Å
13V97.1Very high97.8Very high6 Ų627.4 Ų27.44%0.03612%0.121CC..SBendtrans-69.1-20.4-168.8-65.10000114.1R17 E18 L19 Q510V13-R17 CarbonylContact O-C 3.5Å; V13-R17 VanDerWaalsContact O-C 3.29Å; V13-R17 VanDerWaalsContact O-CA 3.23Å; V13-R17 WeakPolarHBondContact O-CA 3.24Å; V13-E18 PolarHBondContact O-N 2.91Å; V13-E18 VanDerWaalsContact O-N 3.11Å; V13-L19 WeakPolarHBondContact O-CB 3.3Å; V13-L19 PolarHBondContact O-N 2.94Å; V13-Q510 HydrophobicContact CG1-CB 3.89Å; V13-Q510 HydrophobicContact CG1-CG 4.15Å
14G97.2Very high97.7Very high2 Ų230.7 Ų30.72%0.02114%0.136CC..  trans80.4153.9-172.700000112.8R12 R16 R17 E18R12-G14 PolarHBondContact O-N 3.22Å; G14-R16 PolarHBondContact O-N 3.25Å; G14-R17 PolarHBondContact O-N 2.78Å; G14-E18 WeakPolarHBondContact CA-OE2 3.43Å
15L94.5Very high97.7Very high44 Ų4430.8 Ų30.823%0.2314%0.14CC..THydrogen-bonded Turntrans-58-36.3-171.6-174.864.1000112.9E18 I330 D331 V334L15-E18 PolarHBondContact N-OE2 2.62Å; L15-E18 VanDerWaalsContact N-OE2 3.1Å; L15-I330 HydrophobicContact CD1-CB 4.21Å; L15-I330 HydrophobicContact CD1-CG2 4.3Å; L15-D331 HydrophobicContact CD1-CB 3.98Å; L15-V334 HydrophobicContact CD1-CG2 3.77Å; L15-V334 HydrophobicContact CD2-CG1 3.95Å; L15-V334 HydrophobicContact CD2-CG2 4.31Å; L15-V334 HydrophobicContact CG-CG2 4.36Å
16R95.3Very high97.7Very high178 Ų17831.6 Ų31.667%0.67214%0.143SC*.THydrogen-bonded Turntrans-108.523.3178.3-58.9-174.1177.1-163.70.9112G14 E18 K21G14-R16 PolarHBondContact O-N 3.25Å; R16-E18 VanDerWaalsContact C-N 3.29Å; R16-E18 WeakPolarHBondContact CA-OE2 3.09Å; R16-E18 PolarHBondContact N-OE1 3.28Å; R16-E18 PolarHBondContact N-OE2 2.94Å; R16-E18 PolarHBondContact O-N 3.18Å; R16-K21 WeakPolarHBondContact O-CE 3.34Å; R16-K21 PolarHBondContact O-NZ 2.63Å
17R96.7Very high97.5Very high62 Ų6233.6 Ų33.623%0.23415%0.151CC..  trans55.144.3-176.8-58.9173.4-69.8167.42.4111.8V13 G14 L19 K20 K21 W508V13-R17 CarbonylContact O-C 3.5Å; V13-R17 VanDerWaalsContact O-C 3.29Å; V13-R17 VanDerWaalsContact O-CA 3.23Å; V13-R17 WeakPolarHBondContact O-CA 3.24Å; G14-R17 PolarHBondContact O-N 2.78Å; R17-L19 VanDerWaalsContact C-N 3.25Å; R17-L19 PolarHBondContact O-N 2.94Å; R17-K20 HydrophobicContact CB-CB 3.97Å; R17-K20 HydrophobicContact CB-CD 4.31Å; R17-K20 WeakPolarHBondContact O-CB 3.38Å; R17-K20 PolarHBondContact O-N 2.86Å; R17-K21 PolarHBondContact O-N 3.19Å; R17-K21 VanDerWaalsContact O-N 3.14Å; R17-W508 HydrophobicContact CG-CB 4.2Å; R17-W508 HydrophobicContact CG-CD2 4.45Å; R17-W508 HydrophobicContact CG-CG 4.02Å; R17-W508 VanDerWaalsContact CZ-CE2 3.45Å; R17-W508 VanDerWaalsContact CZ-CZ2 3.41Å; R17-W508 VanDerWaalsContact NH1-CH2 3.25Å
18E98.3Very high97.3Very high53 Ų5336.7 Ų36.725%0.24818%0.177CC..Hα-helixtrans-54.6-43.3178.5-67.184.4168.400110.8V13 G14 L15 R16 K20 K21 A22 L43V13-E18 PolarHBondContact O-N 2.91Å; V13-E18 VanDerWaalsContact O-N 3.11Å; G14-E18 WeakPolarHBondContact CA-OE2 3.43Å; L15-E18 PolarHBondContact N-OE2 2.62Å; L15-E18 VanDerWaalsContact N-OE2 3.1Å; R16-E18 VanDerWaalsContact C-N 3.29Å; R16-E18 WeakPolarHBondContact CA-OE2 3.09Å; R16-E18 PolarHBondContact N-OE1 3.28Å; R16-E18 PolarHBondContact N-OE2 2.94Å; R16-E18 PolarHBondContact O-N 3.18Å; E18-K20 PolarHBondContact O-N 2.75Å; E18-K21 PolarHBondContact O-N 2.94Å; E18-A22 PolarHBondContact O-N 3.29Å; E18-L43 HydrophobicContact CB-CD1 4.4Å; E18-L43 HydrophobicContact CB-CD2 4.11Å
19L98.5Very high97.1Very high0 Ų039.5 Ų39.50%021%0.206CC..Hα-helixtrans-61.6-45.2178.8-174.356.6000111.7R12 V13 R17 K21 A22 Q23 L43 F64 W66R12-L19 HydrophobicContact CB-CD2 4.32Å; R12-L19 HydrophobicContact CG-CD2 4.05Å; V13-L19 WeakPolarHBondContact O-CB 3.3Å; V13-L19 PolarHBondContact O-N 2.94Å; R17-L19 VanDerWaalsContact C-N 3.25Å; R17-L19 PolarHBondContact O-N 2.94Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.91Å; L19-A22 PolarHBondContact O-N 3.05Å; L19-Q23 HydrophobicContact CD1-CG 4.26Å; L19-Q23 HydrophobicContact CG-CG 4.43Å; L19-Q23 WeakPolarHBondContact O-CB 3.48Å; L19-Q23 VanDerWaalsContact O-CG 3.25Å; L19-Q23 WeakPolarHBondContact O-CG 3.44Å; L19-Q23 PolarHBondContact O-N 3.23Å; L19-Q23 PolarHBondContact O-OE1 3.17Å; L19-L43 HydrophobicContact CB-CD1 3.73Å; L19-L43 HydrophobicContact CD1-CD1 4.22Å; L19-L43 HydrophobicContact CG-CD1 4.47Å; L19-F64 HydrophobicContact CD1-CE2 4.21Å; L19-F64 HydrophobicContact CD1-CZ 3.82Å; L19-F64 HydrophobicContact CD2-CE2 3.99Å; L19-F64 HydrophobicContact CD2-CZ 4.16Å; L19-W66 HydrophobicContact CD1-CE3 4.16Å; L19-W66 HydrophobicContact CD1-CZ3 4.09Å
20K97.6Very high97.1Very high36 Ų3645.7 Ų45.716%0.15724%0.239CC..Hα-helixtrans-56.5-49.2177169.8179.8-171.761.80111.1R17 E18 Q23 E24 S514R17-K20 HydrophobicContact CB-CB 3.97Å; R17-K20 HydrophobicContact CB-CD 4.31Å; R17-K20 WeakPolarHBondContact O-CB 3.38Å; R17-K20 PolarHBondContact O-N 2.86Å; E18-K20 PolarHBondContact O-N 2.75Å; K20-Q23 PolarHBondContact O-N 3.34Å; K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 IonicContact NZ-OE1 3.51Å; K20-E24 PolarHBondContact NZ-OE1 2.93Å; K20-E24 IonicContact NZ-OE2 3.57Å; K20-E24 WeakPolarHBondContact O-CB 3.34Å; K20-E24 WeakPolarHBondContact O-CG 3.45Å; K20-E24 PolarHBondContact O-N 3.49Å; K20-S514 VanDerWaalsContact CD-O 3.25Å; K20-S514 WeakPolarHBondContact CD-O 3.4Å; K20-S514 VanDerWaalsContact CG-O 3.28Å; K20-S514 WeakPolarHBondContact CG-O 3.43Å; K20-S514 PolarHBondContact NZ-O 3.41Å
21K97.6Very high97Very high122 Ų12246.7 Ų46.753%0.5325%0.246SC..Hα-helixtrans-63.2-43.4-178.2-68173-175.3167.30111.2R16 R17 E18 L19 S25R16-K21 WeakPolarHBondContact O-CE 3.34Å; R16-K21 PolarHBondContact O-NZ 2.63Å; R17-K21 PolarHBondContact O-N 3.19Å; R17-K21 VanDerWaalsContact O-N 3.14Å; E18-K21 PolarHBondContact O-N 2.94Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.91Å; K21-S25 VanDerWaalsContact O-CB 3.22Å; K21-S25 WeakPolarHBondContact O-CB 3.41Å; K21-S25 PolarHBondContact O-N 3.01Å
22A98.5Very high97Very high14 Ų1449.7 Ų49.712%0.11626%0.264CS..Hα-helixtrans-64.3-45.8178.800000112E18 L19 S25 Y26 L36 V39E18-A22 PolarHBondContact O-N 3.29Å; L19-A22 PolarHBondContact O-N 3.05Å; A22-S25 PolarHBondContact O-N 3.18Å; A22-Y26 WeakPolarHBondContact O-CB 3.36Å; A22-Y26 PolarHBondContact O-N 3.26Å; A22-L36 HydrophobicContact CB-CD1 3.8Å; A22-V39 HydrophobicContact CB-CB 4Å; A22-V39 HydrophobicContact CB-CG1 3.81Å; A22-V39 HydrophobicContact CB-CG2 4.08Å
23Q98.1Very high96.9Very high2 Ų254.7 Ų54.71%0.00928%0.283CS..Hα-helixtrans-60.5-48.5176.2-72.9163.9-26.800112L19 K20 S25 Y26 W27 L36 W66 F97L19-Q23 HydrophobicContact CD1-CG 4.26Å; L19-Q23 HydrophobicContact CG-CG 4.43Å; L19-Q23 WeakPolarHBondContact O-CB 3.48Å; L19-Q23 VanDerWaalsContact O-CG 3.25Å; L19-Q23 WeakPolarHBondContact O-CG 3.44Å; L19-Q23 PolarHBondContact O-N 3.23Å; L19-Q23 PolarHBondContact O-OE1 3.17Å; K20-Q23 PolarHBondContact O-N 3.34Å; Q23-S25 PolarHBondContact O-N 3.35Å; Q23-Y26 PolarHBondContact O-N 2.94Å; Q23-W27 HydrophobicContact CB-CD2 4.44Å; Q23-W27 HydrophobicContact CB-CH2 3.89Å; Q23-W27 HydrophobicContact CB-CZ2 3.76Å; Q23-W27 HydrophobicContact CB-CZ3 4.28Å; Q23-W27 HydrophobicContact CG-CZ2 4.25Å; Q23-W27 PolarHBondContact O-N 3.09Å; Q23-L36 HydrophobicContact CG-CD1 4.2Å; Q23-W66 PolarHBondContact NE2-O 2.8Å; Q23-F97 HydrophobicContact CG-CZ 4.42Å
24E95.7Very high97Very high78 Ų7860.4 Ų60.436%0.36431%0.31SS..Hα-helixtrans-67.8-36.9-178.1-73176.5177.500112.4K20 W27 A28 S514K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 IonicContact NZ-OE1 3.51Å; K20-E24 PolarHBondContact NZ-OE1 2.93Å; K20-E24 IonicContact NZ-OE2 3.57Å; K20-E24 WeakPolarHBondContact O-CB 3.34Å; K20-E24 WeakPolarHBondContact O-CG 3.45Å; K20-E24 PolarHBondContact O-N 3.49Å; E24-W27 HydrophobicContact CB-CE3 4.49Å; E24-W27 HydrophobicContact CG-CE3 3.9Å; E24-W27 HydrophobicContact CG-CZ3 3.85Å; E24-A28 VanDerWaalsContact O-CB 3.29Å; E24-A28 WeakPolarHBondContact O-CB 3.23Å; E24-A28 PolarHBondContact O-N 3Å; E24-S514 PolarHBondContact OE1-OG 3.31Å
25S97.6Very high97Very high37 Ų3765.4 Ų65.426%0.25933%0.332SS..Hα-helixtrans-60.5-46.4171.5-177.60000111.2K21 A22 Q23 A28 G29 N30 S31K21-S25 VanDerWaalsContact O-CB 3.22Å; K21-S25 WeakPolarHBondContact O-CB 3.41Å; K21-S25 PolarHBondContact O-N 3.01Å; A22-S25 PolarHBondContact O-N 3.18Å; Q23-S25 PolarHBondContact O-N 3.35Å; S25-A28 PolarHBondContact O-N 2.9Å; S25-G29 PolarHBondContact O-N 3.14Å; S25-N30 PolarHBondContact O-N 2.98Å; S25-N30 WeakPolarHBondContact OG-CB 3.25Å; S25-S31 VanDerWaalsContact C-OG 3.31Å; S25-S31 WeakPolarHBondContact CB-OG 3.48Å; S25-S31 VanDerWaalsContact OG-CB 3.32Å; S25-S31 WeakPolarHBondContact OG-CB 3.25Å; S25-S31 PolarHBondContact OG-OG 3.08Å
26Y98.1Very high97.2Very high18 Ų1863.3 Ų63.37%0.07132%0.321CS..Hα-helixtrans-62.7-47.2178.3177-106.3000111.8A22 Q23 A28 G29 S31 R33 L36 I93 D94 F97 P105A22-Y26 WeakPolarHBondContact O-CB 3.36Å; A22-Y26 PolarHBondContact O-N 3.26Å; Q23-Y26 PolarHBondContact O-N 2.94Å; Y26-A28 PolarHBondContact O-N 2.88Å; Y26-G29 PolarHBondContact O-N 3.07Å; Y26-S31 WeakPolarHBondContact CA-OG 3.38Å; Y26-S31 WeakPolarHBondContact CD2-O 3.39Å; Y26-S31 PolarHBondContact N-OG 3.41Å; Y26-R33 HydrophobicContact CE2-CB 3.92Å; Y26-L36 HydrophobicContact CD1-CD2 3.71Å; Y26-L36 HydrophobicContact CD2-CD2 4.34Å; Y26-L36 HydrophobicContact CE1-CD2 4.28Å; Y26-L36 HydrophobicContact CG-CD2 3.75Å; Y26-I93 HydrophobicContact CE1-CG2 4.44Å; Y26-D94 WeakPolarHBondContact CE1-OD1 3.49Å; Y26-D94 VanDerWaalsContact CZ-OD1 3.25Å; Y26-D94 VanDerWaalsContact OH-CG 3.27Å; Y26-D94 PolarHBondContact OH-OD1 3.09Å; Y26-D94 PolarHBondContact OH-OD2 3.31Å; Y26-F97 HydrophobicContact CD1-CD2 4.12Å; Y26-F97 AromaticContact CD1-CE2 3.67Å; Y26-F97 HydrophobicContact CD1-CE2 3.67Å; Y26-F97 AromaticContact CE1-CD2 3.86Å; Y26-F97 HydrophobicContact CE1-CD2 3.86Å; Y26-F97 AromaticContact CE1-CE2 3.7Å; Y26-F97 HydrophobicContact CE1-CE2 3.7Å; Y26-P105 HydrophobicContact CD1-CG 4.09Å; Y26-P105 HydrophobicContact CE1-CG 3.71Å; Y26-P105 HydrophobicContact CE2-CG 4.31Å; Y26-P105 WeakPolarHBondContact O-CG 3.29Å
27W95.4Very high97.4Very high41 Ų4157.7 Ų57.716%0.15530%0.304CS..Hα-helixtrans-63.8-29.3178.3-59.1-28.2000113.6Q23 E24 G29 Y67 F97 S514Q23-W27 HydrophobicContact CB-CD2 4.44Å; Q23-W27 HydrophobicContact CB-CH2 3.89Å; Q23-W27 HydrophobicContact CB-CZ2 3.76Å; Q23-W27 HydrophobicContact CB-CZ3 4.28Å; Q23-W27 HydrophobicContact CG-CZ2 4.25Å; Q23-W27 PolarHBondContact O-N 3.09Å; E24-W27 HydrophobicContact CB-CE3 4.49Å; E24-W27 HydrophobicContact CG-CE3 3.9Å; E24-W27 HydrophobicContact CG-CZ3 3.85Å; W27-G29 VanDerWaalsContact C-N 3.27Å; W27-Y67 HydrophobicContact CH2-CD2 4.21Å; W27-Y67 AromaticContact CH2-CE2 3.85Å; W27-Y67 HydrophobicContact CH2-CE2 3.85Å; W27-Y67 AromaticContact CZ2-CD2 3.96Å; W27-Y67 HydrophobicContact CZ2-CD2 3.96Å; W27-Y67 AromaticContact CZ2-CE2 3.92Å; W27-Y67 HydrophobicContact CZ2-CE2 3.92Å; W27-F97 AromaticContact CD1-CD2 3.82Å; W27-F97 AromaticContact CE2-CD1 3.74Å; W27-F97 AromaticContact CE2-CE1 3.75Å; W27-F97 AromaticContact CZ2-CD1 3.65Å; W27-F97 HydrophobicContact CZ2-CD1 3.65Å; W27-F97 AromaticContact CZ2-CE1 3.5Å; W27-F97 HydrophobicContact CZ2-CE1 3.5Å; W27-F97 HydrophobicContact CZ2-CG 4.45Å; W27-F97 HydrophobicContact CZ2-CZ 4.17Å; W27-F97 AromaticContact NE1-CD1 3.26Å; W27-F97 VanDerWaalsContact NE1-CD1 3.26Å; W27-F97 AromaticContact NE1-CD2 3.23Å; W27-F97 AromaticContact NE1-CE1 3.38Å; W27-F97 AromaticContact NE1-CE2 3.32Å; W27-F97 VanDerWaalsContact NE1-CE2 3.32Å; W27-F97 AromaticContact NE1-CG 3.19Å; W27-F97 AromaticContact NE1-CZ 3.4Å; W27-S514 WeakPolarHBondContact CZ3-OG 3.41Å
28A93.7Very high97.5Very high66 Ų6657.5 Ų57.555%0.54532%0.316SS..THydrogen-bonded Turntrans-80.5-6.217500000113.3E24 S25 Y26 N30E24-A28 VanDerWaalsContact O-CB 3.29Å; E24-A28 WeakPolarHBondContact O-CB 3.23Å; E24-A28 PolarHBondContact O-N 3Å; S25-A28 PolarHBondContact O-N 2.9Å; Y26-A28 PolarHBondContact O-N 2.88Å; A28-N30 VanDerWaalsContact C-N 3.32Å
29G95.4Very high97.5Very high60 Ų6056.9 Ų56.962%0.61932%0.316SS*.THydrogen-bonded Turntrans76.217.1-175.600000114.1S25 Y26 W27S25-G29 PolarHBondContact O-N 3.14Å; Y26-G29 PolarHBondContact O-N 3.07Å; W27-G29 VanDerWaalsContact C-N 3.27Å
30N97.6Very high97.5Very high130 Ų13056.9 Ų56.970%0.69532%0.316SS*.SBendtrans-91.3-8.4-178.4-66.2-31000113.6S25 A28S25-N30 PolarHBondContact O-N 2.98Å; S25-N30 WeakPolarHBondContact OG-CB 3.25Å; A28-N30 VanDerWaalsContact C-N 3.32Å
31S97.8Very high97.5Very high23 Ų2362.1 Ų62.116%0.16133%0.334CS..SBendtrans-145.3155.4176.554.90000111.2S25 Y26 E35S25-S31 VanDerWaalsContact C-OG 3.31Å; S25-S31 WeakPolarHBondContact CB-OG 3.48Å; S25-S31 VanDerWaalsContact OG-CB 3.32Å; S25-S31 WeakPolarHBondContact OG-CB 3.25Å; S25-S31 PolarHBondContact OG-OG 3.08Å; Y26-S31 WeakPolarHBondContact CA-OG 3.38Å; Y26-S31 WeakPolarHBondContact CD2-O 3.39Å; Y26-S31 PolarHBondContact N-OG 3.41Å; S31-E35 WeakPolarHBondContact CA-OE2 3.49Å; S31-E35 WeakPolarHBondContact CB-OE2 3.38Å
32T97.6Very high97.6Very high67 Ų6761.7 Ų61.741%0.41133%0.334SS..  trans-80.4169.2179.785.20000112.3E34 E35 L36T32-E34 VanDerWaalsContact C-N 3.32Å; T32-E34 WeakPolarHBondContact CB-OE2 3.37Å; T32-E34 PolarHBondContact OG1-N 3.44Å; T32-E34 PolarHBondContact OG1-OE2 3.24Å; T32-E35 PolarHBondContact N-OE2 3.39Å; T32-E35 PolarHBondContact O-N 3.17Å; T32-E35 PolarHBondContact OG1-N 3.31Å; T32-L36 PolarHBondContact O-N 2.94Å
33R97.4Very high97.6Very high109 Ų10961 Ų6141%0.41133%0.329SS..Hα-helixtrans-62.5-41.6173.5178.1180172.8-157.3-1.3111.1Y26 E35 L36 L37 I93Y26-R33 HydrophobicContact CE2-CB 3.92Å; R33-E35 VanDerWaalsContact C-N 3.33Å; R33-E35 PolarHBondContact O-N 3.31Å; R33-L36 WeakPolarHBondContact O-CB 3.21Å; R33-L36 PolarHBondContact O-N 3.41Å; R33-L37 HydrophobicContact CG-CD1 4.12Å; R33-L37 HydrophobicContact CG-CG 4.32Å; R33-L37 VanDerWaalsContact O-CG 3.3Å; R33-L37 WeakPolarHBondContact O-CG 3.33Å; R33-L37 PolarHBondContact O-N 2.9Å; R33-I93 HydrophobicContact CG-CG2 4.16Å
34E98.1Very high97.6Very high127 Ų12761.7 Ų61.759%0.59333%0.331SS*.Hα-helixtrans-62.4-41.1-179.5-63.170.1-153.600111.3T32 L37 A38T32-E34 VanDerWaalsContact C-N 3.32Å; T32-E34 WeakPolarHBondContact CB-OE2 3.37Å; T32-E34 PolarHBondContact OG1-N 3.44Å; T32-E34 PolarHBondContact OG1-OE2 3.24Å; E34-L37 PolarHBondContact O-N 3.06Å; E34-A38 WeakPolarHBondContact O-CB 3.23Å; E34-A38 PolarHBondContact O-N 3.01Å
35E98.4Very high97.8Very high106 Ų10659.4 Ų59.450%0.49533%0.326SS..Hα-helixtrans-62.9-43175.3-67.8175.3144.700111.6S31 T32 R33 A38 V39S31-E35 WeakPolarHBondContact CA-OE2 3.49Å; S31-E35 WeakPolarHBondContact CB-OE2 3.38Å; T32-E35 PolarHBondContact N-OE2 3.39Å; T32-E35 PolarHBondContact O-N 3.17Å; T32-E35 PolarHBondContact OG1-N 3.31Å; R33-E35 VanDerWaalsContact C-N 3.33Å; R33-E35 PolarHBondContact O-N 3.31Å; E35-A38 PolarHBondContact O-N 3.12Å; E35-V39 WeakPolarHBondContact O-CG2 3.35Å; E35-V39 PolarHBondContact O-N 2.86Å; E35-V39 VanDerWaalsContact O-N 3.14Å
36L98.5Very high97.8Very high1 Ų160.6 Ų60.61%0.00533%0.325CS..Hα-helixtrans-60.7-46.9174.2174.562.1000111.6A22 Q23 Y26 T32 R33 A38 V39 G40 W66 I93 F97A22-L36 HydrophobicContact CB-CD1 3.8Å; Q23-L36 HydrophobicContact CG-CD1 4.2Å; Y26-L36 HydrophobicContact CD1-CD2 3.71Å; Y26-L36 HydrophobicContact CD2-CD2 4.34Å; Y26-L36 HydrophobicContact CE1-CD2 4.28Å; Y26-L36 HydrophobicContact CG-CD2 3.75Å; T32-L36 PolarHBondContact O-N 2.94Å; R33-L36 WeakPolarHBondContact O-CB 3.21Å; R33-L36 PolarHBondContact O-N 3.41Å; L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 3.14Å; L36-V39 PolarHBondContact O-N 2.61Å; L36-G40 PolarHBondContact O-N 3.47Å; L36-G40 VanDerWaalsContact O-N 3.15Å; L36-W66 HydrophobicContact CD1-CE3 4.12Å; L36-W66 HydrophobicContact CD1-CZ3 3.63Å; L36-W66 HydrophobicContact CD2-CZ3 4.49Å; L36-W66 HydrophobicContact CG-CE3 4.21Å; L36-W66 HydrophobicContact CG-CH2 4.34Å; L36-W66 HydrophobicContact CG-CZ3 3.71Å; L36-W66 VanDerWaalsContact O-CH2 3.3Å; L36-W66 WeakPolarHBondContact O-CH2 3.28Å; L36-W66 WeakPolarHBondContact O-CZ3 3.41Å; L36-I93 HydrophobicContact CD2-CD1 3.62Å; L36-I93 HydrophobicContact CG-CD1 4.35Å; L36-F97 HydrophobicContact CD2-CE2 3.92Å; L36-F97 HydrophobicContact CD2-CZ 4.06Å
37L98.2Very high97.8Very high59 Ų5960.2 Ų60.231%0.30932%0.324SS..Hα-helixtrans-62.6-38178.9-67.8179.3000112.1R33 E34 G40 R41 W66 I93R33-L37 HydrophobicContact CG-CD1 4.12Å; R33-L37 HydrophobicContact CG-CG 4.32Å; R33-L37 VanDerWaalsContact O-CG 3.3Å; R33-L37 WeakPolarHBondContact O-CG 3.33Å; R33-L37 PolarHBondContact O-N 2.9Å; E34-L37 PolarHBondContact O-N 3.06Å; L37-G40 PolarHBondContact O-N 3.34Å; L37-R41 PolarHBondContact O-N 3.17Å; L37-W66 HydrophobicContact CD2-CH2 3.99Å; L37-W66 HydrophobicContact CD2-CZ2 3.51Å; L37-I93 HydrophobicContact CD2-CD1 4.25Å
38A98.6Very high98Very high58 Ų5858.5 Ų58.548%0.47932%0.317SS..Hα-helixtrans-63-44.3176.400000111.9E34 E35 L36 G40 R41 E42E34-A38 WeakPolarHBondContact O-CB 3.23Å; E34-A38 PolarHBondContact O-N 3.01Å; E35-A38 PolarHBondContact O-N 3.12Å; L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 3.14Å; A38-G40 VanDerWaalsContact C-N 3.33Å; A38-G40 PolarHBondContact O-N 3.14Å; A38-R41 PolarHBondContact O-N 3.18Å; A38-E42 PolarHBondContact O-N 3.17Å
39V98.6Very high98.2Very high40 Ų4058.6 Ų58.624%0.24231%0.308CS..Hα-helixtrans-61.4-41.8176.1172.80000111.4A22 E35 L36 E42 L43A22-V39 HydrophobicContact CB-CB 4Å; A22-V39 HydrophobicContact CB-CG1 3.81Å; A22-V39 HydrophobicContact CB-CG2 4.08Å; E35-V39 WeakPolarHBondContact O-CG2 3.35Å; E35-V39 PolarHBondContact O-N 2.86Å; E35-V39 VanDerWaalsContact O-N 3.14Å; L36-V39 PolarHBondContact O-N 2.61Å; V39-E42 PolarHBondContact O-N 3.07Å; V39-L43 HydrophobicContact CG1-CD1 3.83Å; V39-L43 HydrophobicContact CG1-CG 4.4Å; V39-L43 WeakPolarHBondContact O-CB 3.15Å; V39-L43 WeakPolarHBondContact O-CG 3.38Å; V39-L43 PolarHBondContact O-N 3.09Å
40G98.5Very high98.4Very high0 Ų058 Ų580%029%0.289CS..Hα-helixtrans-60.9-44.5176.100000112.7L36 L37 A38 L43 R44L36-G40 PolarHBondContact O-N 3.47Å; L36-G40 VanDerWaalsContact O-N 3.15Å; L37-G40 PolarHBondContact O-N 3.34Å; A38-G40 VanDerWaalsContact C-N 3.33Å; A38-G40 PolarHBondContact O-N 3.14Å; G40-L43 PolarHBondContact O-N 3.2Å; G40-R44 WeakPolarHBondContact O-CG 3.49Å; G40-R44 PolarHBondContact O-N 3.39Å
41R98.6Very high98.4Very high146 Ų14651.9 Ų51.955%0.55126%0.257SS*.Hα-helixtrans-61.9-44.5176.7-171.7-178.2-57.4-132.8-7.2112.2L37 A38 R44 A45 E149L37-R41 PolarHBondContact O-N 3.17Å; A38-R41 PolarHBondContact O-N 3.18Å; R41-R44 PolarHBondContact O-N 3.12Å; R41-A45 WeakPolarHBondContact O-CB 3.07Å; R41-A45 PolarHBondContact O-N 2.86Å; R41-E149 IonicContact CZ-OE1 2.61Å; R41-E149 IonicContact NE-OE1 2.73Å; R41-E149 PolarHBondContact NE-OE1 2.6Å; R41-E149 IonicContact NH1-OE1 2.65Å; R41-E149 IonicContact NH2-OE1 2.69Å; R41-E149 PolarHBondContact NH2-OE1 3.3Å
42E98.6Very high98.4Very high113 Ų11356 Ų5653%0.52827%0.271SS..Hα-helixtrans-61.9-44.4177.2-168-149.7121.800111.6A38 V39 R46A38-E42 PolarHBondContact O-N 3.17Å; V39-E42 PolarHBondContact O-N 3.07Å; E42-R46 VanDerWaalsContact O-CB 3.29Å; E42-R46 WeakPolarHBondContact O-CB 3.28Å; E42-R46 PolarHBondContact O-N 3.37Å; E42-R46 IonicContact OE1-CZ 3.79Å; E42-R46 IonicContact OE1-NE 2.81Å; E42-R46 IonicContact OE1-NH2 3.81Å; E42-R46 PolarHBondContact OE1-NH2 2.91Å
43L98.7Very high98.5Very high0 Ų059.4 Ų59.40%028%0.283CS..Hα-helixtrans-58.8-49.8176.3-79.2164.1000111.8E18 L19 V39 G40 R46 H47 F64E18-L43 HydrophobicContact CB-CD1 4.4Å; E18-L43 HydrophobicContact CB-CD2 4.11Å; L19-L43 HydrophobicContact CB-CD1 3.73Å; L19-L43 HydrophobicContact CD1-CD1 4.22Å; L19-L43 HydrophobicContact CG-CD1 4.47Å; V39-L43 HydrophobicContact CG1-CD1 3.83Å; V39-L43 HydrophobicContact CG1-CG 4.4Å; V39-L43 WeakPolarHBondContact O-CB 3.15Å; V39-L43 WeakPolarHBondContact O-CG 3.38Å; V39-L43 PolarHBondContact O-N 3.09Å; G40-L43 PolarHBondContact O-N 3.2Å; L43-R46 PolarHBondContact O-N 3.41Å; L43-H47 WeakPolarHBondContact O-CB 3.3Å; L43-H47 PolarHBondContact O-CD2 3.28Å; L43-H47 PolarHBondContact O-N 3.27Å; L43-H47 PolarHBondContact O-ND1 2.85Å; L43-F64 HydrophobicContact CB-CE2 4.5Å
44R98.8Very high98.5Very high17 Ų1755.1 Ų55.16%0.06427%0.271CS..Hα-helixtrans-59.8-51.7179-72.6-170.2-62.2-100.3-1.5112.2G40 R41 R46 H47 W48 F64 E146 E149G40-R44 WeakPolarHBondContact O-CG 3.49Å; G40-R44 PolarHBondContact O-N 3.39Å; R41-R44 PolarHBondContact O-N 3.12Å; R44-R46 VanDerWaalsContact C-N 3.31Å; R44-R46 PolarHBondContact O-N 3.21Å; R44-H47 PolarHBondContact O-N 2.69Å; R44-H47 VanDerWaalsContact O-N 3.15Å; R44-W48 HydrophobicContact CB-CD2 4.42Å; R44-W48 HydrophobicContact CB-CE3 4.16Å; R44-W48 HydrophobicContact CB-CH2 3.62Å; R44-W48 HydrophobicContact CB-CZ2 3.89Å; R44-W48 HydrophobicContact CB-CZ3 3.76Å; R44-W48 HydrophobicContact CG-CH2 4.26Å; R44-W48 HydrophobicContact CG-CZ2 4.29Å; R44-W48 VanDerWaalsContact O-CD2 3.25Å; R44-W48 PolarHBondContact O-N 2.65Å; R44-F64 HydrophobicContact CG-CB 3.95Å; R44-F64 HydrophobicContact CG-CD1 4.48Å; R44-F64 HydrophobicContact CG-CD2 3.85Å; R44-F64 HydrophobicContact CG-CG 3.83Å; R44-E146 VanDerWaalsContact CD-CD 3.43Å; R44-E146 WeakPolarHBondContact CD-OE1 3.4Å; R44-E146 IonicContact CZ-OE1 3.95Å; R44-E146 IonicContact NE-OE1 2.72Å; R44-E146 IonicContact NH1-OE1 3.42Å; R44-E146 PolarHBondContact NH1-OE1 2.94Å; R44-E149 IonicContact CZ-OE2 3.71Å; R44-E149 VanDerWaalsContact CZ-OE2 3.26Å; R44-E149 IonicContact NE-OE2 2.96Å; R44-E149 PolarHBondContact NE-OE2 2.98Å; R44-E149 VanDerWaalsContact NH2-CD 3.29Å; R44-E149 IonicContact NH2-OE1 3.42Å; R44-E149 PolarHBondContact NH2-OE1 2.8Å; R44-E149 IonicContact NH2-OE2 3.36Å; R44-E149 PolarHBondContact NH2-OE2 3.29Å
45A98.7Very high98.5Very high30 Ų3050 Ų5025%0.24825%0.253CS..Hα-helixtrans-55.5-46.617900000111.8R41 W48 D49 L153R41-A45 WeakPolarHBondContact O-CB 3.07Å; R41-A45 PolarHBondContact O-N 2.86Å; A45-W48 PolarHBondContact O-N 2.68Å; A45-D49 WeakPolarHBondContact O-CB 3.35Å; A45-D49 PolarHBondContact O-N 3.38Å; A45-L153 HydrophobicContact CB-CD1 3.81Å
46R98.6Very high98.5Very high62 Ų6245.4 Ų45.423%0.23423%0.231CC..Hα-helixtrans-64.2-43177.4173.1165.226.866.21.8112.5E42 L43 R44 D49 Q50E42-R46 VanDerWaalsContact O-CB 3.29Å; E42-R46 WeakPolarHBondContact O-CB 3.28Å; E42-R46 PolarHBondContact O-N 3.37Å; E42-R46 IonicContact OE1-CZ 3.79Å; E42-R46 IonicContact OE1-NE 2.81Å; E42-R46 IonicContact OE1-NH2 3.81Å; E42-R46 PolarHBondContact OE1-NH2 2.91Å; L43-R46 PolarHBondContact O-N 3.41Å; R44-R46 VanDerWaalsContact C-N 3.31Å; R44-R46 PolarHBondContact O-N 3.21Å; R46-D49 PolarHBondContact O-N 3.03Å; R46-Q50 HydrophobicContact CG-CG 4.33Å; R46-Q50 WeakPolarHBondContact O-CB 3.39Å; R46-Q50 WeakPolarHBondContact O-CG 3.45Å; R46-Q50 PolarHBondContact O-N 3.33Å
47H98.7Very high98.5Very high10 Ų1047.7 Ų47.75%0.04624%0.243CC..Hα-helixtrans-68.4-36.6180-63163.6000112.3F10 P11 L43 R44 Q51F10-H47 HydrophobicContact CD1-CB 3.74Å; F10-H47 AromaticContact CD1-CG 3.75Å; F10-H47 HydrophobicContact CE1-CB 4.1Å; F10-H47 AromaticContact CE1-CG 3.95Å; P11-H47 PolarHBondContact O-CE1 3.17Å; P11-H47 VanDerWaalsContact O-CE1 3.22Å; P11-H47 PolarHBondContact O-ND1 2.99Å; L43-H47 WeakPolarHBondContact O-CB 3.3Å; L43-H47 PolarHBondContact O-CD2 3.28Å; L43-H47 PolarHBondContact O-N 3.27Å; L43-H47 PolarHBondContact O-ND1 2.85Å; R44-H47 PolarHBondContact O-N 2.69Å; R44-H47 VanDerWaalsContact O-N 3.15Å; H47-Q51 WeakPolarHBondContact O-CB 3.49Å; H47-Q51 VanDerWaalsContact O-CG 3.29Å; H47-Q51 WeakPolarHBondContact O-CG 3.24Å; H47-Q51 PolarHBondContact O-N 3.4Å; H47-Q51 PolarHBondContact O-NE2 3.07Å
48W98.7Very high98.5Very high4 Ų445.2 Ų45.22%0.01523%0.23CC..Hα-helixtrans-64.5-45.8173.3-66.7-39.7000111.7R44 A45 Q51 K52 L59 P60 V61 E146 E149 A150 L153R44-W48 HydrophobicContact CB-CD2 4.42Å; R44-W48 HydrophobicContact CB-CE3 4.16Å; R44-W48 HydrophobicContact CB-CH2 3.62Å; R44-W48 HydrophobicContact CB-CZ2 3.89Å; R44-W48 HydrophobicContact CB-CZ3 3.76Å; R44-W48 HydrophobicContact CG-CH2 4.26Å; R44-W48 HydrophobicContact CG-CZ2 4.29Å; R44-W48 VanDerWaalsContact O-CD2 3.25Å; R44-W48 PolarHBondContact O-N 2.65Å; A45-W48 PolarHBondContact O-N 2.68Å; W48-Q51 PolarHBondContact O-N 3.28Å; W48-K52 WeakPolarHBondContact O-CB 3.26Å; W48-K52 PolarHBondContact O-N 3.02Å; W48-L59 HydrophobicContact CB-CD1 3.8Å; W48-L59 HydrophobicContact CG-CD1 4.34Å; W48-L59 WeakPolarHBondContact O-CD1 3.46Å; W48-P60 PolarHBondContact NE1-O 3.05Å; W48-V61 HydrophobicContact CZ2-CG1 4.13Å; W48-V61 HydrophobicContact CZ2-CG2 3.96Å; W48-E146 HydrophobicContact CH2-CB 4.46Å; W48-E146 WeakPolarHBondContact CH2-O 3.42Å; W48-E149 HydrophobicContact CH2-CB 4.27Å; W48-E149 HydrophobicContact CZ3-CB 4.21Å; W48-A150 HydrophobicContact CD2-CB 4.07Å; W48-A150 HydrophobicContact CE3-CB 3.88Å; W48-A150 HydrophobicContact CH2-CB 3.77Å; W48-A150 HydrophobicContact CZ2-CB 3.95Å; W48-A150 HydrophobicContact CZ3-CB 3.74Å; W48-L153 HydrophobicContact CE3-CD1 4.14Å; W48-L153 HydrophobicContact CZ3-CD1 4.33Å
49D98.6Very high98.5Very high69 Ų6942.6 Ų42.637%0.36921%0.208SC..Hα-helixtrans-62.9-44.1177.4-174.847.8000111.9A45 R46 Q51 K52 Q53A45-D49 WeakPolarHBondContact O-CB 3.35Å; A45-D49 PolarHBondContact O-N 3.38Å; R46-D49 PolarHBondContact O-N 3.03Å; D49-Q51 PolarHBondContact O-N 2.86Å; D49-K52 PolarHBondContact O-N 3.46Å; D49-Q53 WeakPolarHBondContact O-CB 3.4Å; D49-Q53 VanDerWaalsContact O-CG 3.27Å; D49-Q53 WeakPolarHBondContact O-CG 3.27Å; D49-Q53 PolarHBondContact O-N 3.06Å; D49-Q53 PolarHBondContact OD1-NE2 3.39Å; D49-Q53 VanDerWaalsContact OD1-NE2 3.09Å; D49-Q53 PolarHBondContact OD2-NE2 3.3Å
50Q98.3Very high98.5Very high47 Ų4740.7 Ų40.722%0.2220%0.197CC..Hα-helixtrans-61-44.4176.7-75.9175.9-35.200112.9R46 Q53 A54 L350R46-Q50 HydrophobicContact CG-CG 4.33Å; R46-Q50 WeakPolarHBondContact O-CB 3.39Å; R46-Q50 WeakPolarHBondContact O-CG 3.45Å; R46-Q50 PolarHBondContact O-N 3.33Å; Q50-Q53 PolarHBondContact O-N 3.15Å; Q50-A54 WeakPolarHBondContact O-CB 3.37Å; Q50-A54 PolarHBondContact O-N 3.06Å; Q50-L350 HydrophobicContact CB-CD2 3.73Å
51Q98.7Very high98.5Very high1 Ų140.7 Ų40.71%0.00520%0.197CC..Hα-helixtrans-63.7-43.3176.5-74.517397.100111.4T7 F10 H47 W48 D49 A54 G55 I56 L59T7-Q51 PolarHBondContact OG1-OE1 3.29Å; F10-Q51 HydrophobicContact CD2-CG 3.53Å; F10-Q51 HydrophobicContact CE2-CG 3.69Å; F10-Q51 HydrophobicContact CG-CG 4.15Å; F10-Q51 HydrophobicContact CZ-CG 4.42Å; H47-Q51 WeakPolarHBondContact O-CB 3.49Å; H47-Q51 VanDerWaalsContact O-CG 3.29Å; H47-Q51 WeakPolarHBondContact O-CG 3.24Å; H47-Q51 PolarHBondContact O-N 3.4Å; H47-Q51 PolarHBondContact O-NE2 3.07Å; W48-Q51 PolarHBondContact O-N 3.28Å; D49-Q51 PolarHBondContact O-N 2.86Å; Q51-A54 PolarHBondContact O-N 3.48Å; Q51-G55 PolarHBondContact O-N 3.24Å; Q51-I56 HydrophobicContact CB-CB 4.32Å; Q51-I56 HydrophobicContact CB-CG1 4.19Å; Q51-I56 WeakPolarHBondContact O-CB 3.39Å; Q51-I56 WeakPolarHBondContact O-CG1 3.48Å; Q51-I56 PolarHBondContact O-N 3.4Å; Q51-L59 HydrophobicContact CB-CD2 3.54Å
52K98.5Very high98.5Very high109 Ų10934.5 Ų34.547%0.47418%0.179SC..Hα-helixtrans-60.5-45.9175.6-179.3-180177-179.70111.6W48 D49 A54 G55 L59W48-K52 WeakPolarHBondContact O-CB 3.26Å; W48-K52 PolarHBondContact O-N 3.02Å; D49-K52 PolarHBondContact O-N 3.46Å; K52-A54 VanDerWaalsContact C-N 3.29Å; K52-A54 PolarHBondContact O-N 3.07Å; K52-G55 WeakPolarHBondContact O-CA 3.4Å; K52-G55 PolarHBondContact O-N 2.96Å; K52-L59 HydrophobicContact CB-CD1 4.38Å
53Q98.2Very high98.5Very high139 Ų13930.5 Ų30.565%0.6516%0.161SC*.Hα-helixtrans-64.4-33.7177.5-73173.213.700112.5D49 Q50 G55D49-Q53 WeakPolarHBondContact O-CB 3.4Å; D49-Q53 VanDerWaalsContact O-CG 3.27Å; D49-Q53 WeakPolarHBondContact O-CG 3.27Å; D49-Q53 PolarHBondContact O-N 3.06Å; D49-Q53 PolarHBondContact OD1-NE2 3.39Å; D49-Q53 VanDerWaalsContact OD1-NE2 3.09Å; D49-Q53 PolarHBondContact OD2-NE2 3.3Å; Q50-Q53 PolarHBondContact O-N 3.15Å; Q53-G55 PolarHBondContact O-N 2.86Å
54A98.1Very high98.5Very high20 Ų2030.7 Ų30.717%0.16516%0.162CC..THydrogen-bonded Turntrans-72.8-5.5172.200000113.4Q50 Q51 K52 C353Q50-A54 WeakPolarHBondContact O-CB 3.37Å; Q50-A54 PolarHBondContact O-N 3.06Å; Q51-A54 PolarHBondContact O-N 3.48Å; K52-A54 VanDerWaalsContact C-N 3.29Å; K52-A54 PolarHBondContact O-N 3.07Å; A54-C353 HydrophobicContact CB-CB 3.46Å; A54-C353 VanDerWaalsContact CB-CB 3.46Å
55G98.2Very high98.5Very high20 Ų2029.9 Ų29.921%0.20616%0.159CC..THydrogen-bonded Turntrans100.619.7171.900000115.2N5 Q51 K52 Q53 R360N5-G55 PolarHBondContact ND2-O 3.47Å; N5-G55 PolarHBondContact OD1-O 3.33Å; Q51-G55 PolarHBondContact O-N 3.24Å; K52-G55 WeakPolarHBondContact O-CA 3.4Å; K52-G55 PolarHBondContact O-N 2.96Å; Q53-G55 PolarHBondContact O-N 2.86Å; G55-R360 PolarHBondContact O-NH1 2.9Å
56I98.8Very high98.4Very high8 Ų828.9 Ų28.94%0.04115%0.148CC..  trans-76.7129175-58.3-58.3000111.7N5 T7 Q51 L58 L59 C353 L356N5-I56 VanDerWaalsContact OD1-CA 3.23Å; N5-I56 WeakPolarHBondContact OD1-CA 3.27Å; T7-I56 HydrophobicContact CG2-CD1 4.02Å; T7-I56 HydrophobicContact CG2-CG1 4.3Å; Q51-I56 HydrophobicContact CB-CB 4.32Å; Q51-I56 HydrophobicContact CB-CG1 4.19Å; Q51-I56 WeakPolarHBondContact O-CB 3.39Å; Q51-I56 WeakPolarHBondContact O-CG1 3.48Å; Q51-I56 PolarHBondContact O-N 3.4Å; I56-L58 WeakPolarHBondContact CG2-O 3.4Å; I56-L59 HydrophobicContact CB-CD2 3.88Å; I56-L59 HydrophobicContact CG2-CD2 3.74Å; I56-C353 HydrophobicContact CD1-CB 3.88Å; I56-C353 HydrophobicContact CG1-CB 3.77Å; I56-L356 HydrophobicContact CD1-CB 4.06Å; I56-L356 HydrophobicContact CD1-CD1 3.95Å
57D98.5Very high98.4Very high49 Ų4926.7 Ų26.726%0.26214%0.14SC..SBendtrans-81.1-39.1-178.5-60.7-48.5000113.2L4 N5 R360L4-D57 WeakPolarHBondContact CA-OD2 3.29Å; L4-D57 HydrophobicContact CB-CB 4.27Å; L4-D57 HydrophobicContact CD2-CB 4.21Å; N5-D57 PolarHBondContact N-OD2 2.88Å; N5-D57 PolarHBondContact OD1-N 3.41Å; N5-D57 PolarHBondContact OD1-OD2 2.7Å; D57-R360 VanDerWaalsContact CG-NH1 3.26Å; D57-R360 IonicContact OD1-CZ 3.47Å; D57-R360 IonicContact OD1-NH1 2.69Å; D57-R360 PolarHBondContact OD1-NH1 3.15Å; D57-R360 WeakPolarHBondContact OD2-CD 3.43Å; D57-R360 IonicContact OD2-CZ 2.91Å; D57-R360 IonicContact OD2-NE 2.76Å; D57-R360 IonicContact OD2-NH1 3.59Å; D57-R360 PolarHBondContact OD2-NH1 3Å
58L98.2Very high98.4Very high7 Ų726.3 Ų26.34%0.03714%0.138CC..BIsolated β-bridgetrans-127.7109.1-174.9-170.967.5000109.8N5 H6 I56 K156 K158 W318N5-L58 PolarHBondContact O-N 3.13Å; H6-L58 HydrophobicContact CB-CB 4Å; H6-L58 WeakPolarHBondContact CB-O 3.46Å; I56-L58 WeakPolarHBondContact CG2-O 3.4Å; L58-K156 HydrophobicContact CD1-CD 4.29Å; L58-K156 HydrophobicContact CD1-CG 3.91Å; L58-K158 HydrophobicContact CD1-CB 4.02Å; L58-K158 HydrophobicContact CD2-CB 3.69Å; L58-K158 HydrophobicContact CD2-CD 3.86Å; L58-K158 HydrophobicContact CD2-CG 4.31Å; L58-K158 HydrophobicContact CG-CB 3.62Å; L58-W318 HydrophobicContact CD2-CE3 4.35Å; L58-W318 HydrophobicContact CD2-CH2 3.58Å; L58-W318 HydrophobicContact CD2-CZ2 4.36Å; L58-W318 HydrophobicContact CD2-CZ3 3.57Å
59L98.6Very high98.4Very high4 Ų427.7 Ų27.72%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-86.7135.9-173.3-57.3-178.3000111.7W48 Q51 K52 I56 H155 K156 V157 K158W48-L59 HydrophobicContact CB-CD1 3.8Å; W48-L59 HydrophobicContact CG-CD1 4.34Å; W48-L59 WeakPolarHBondContact O-CD1 3.46Å; Q51-L59 HydrophobicContact CB-CD2 3.54Å; K52-L59 HydrophobicContact CB-CD1 4.38Å; I56-L59 HydrophobicContact CB-CD2 3.88Å; I56-L59 HydrophobicContact CG2-CD2 3.74Å; L59-H155 HydrophobicContact CD1-CB 3.94Å; L59-K156 PolarHBondContact N-O 2.89Å; L59-V157 HydrophobicContact CB-CG1 4.44Å; L59-V157 CarbonylContact O-C 3.55Å; L59-V157 VanDerWaalsContact O-CA 3.3Å; L59-V157 WeakPolarHBondContact O-CA 3.3Å; L59-K158 PolarHBondContact O-N 3.5Å
60P98.7Very high98.4Very high0 Ų024.4 Ų24.40%013%0.128CC..EExtended strand (participates in β ladder)trans-68.1142.117129.8-34.2000110.7T7 W48 D63 K158 V160T7-P60 WeakPolarHBondContact OG1-CD 3.5Å; T7-P60 WeakPolarHBondContact OG1-CG 3.39Å; W48-P60 PolarHBondContact NE1-O 3.05Å; P60-D63 HydrophobicContact CB-CB 4.48Å; P60-K158 WeakPolarHBondContact CA-O 3.2Å; P60-V160 HydrophobicContact CB-CG2 3.9Å
61V98.7Very high98.4Very high0 Ų022.4 Ų22.40%012%0.118CC..EExtended strand (participates in β ladder)trans-133.5139.6170.1176.50000108.4W48 E146 V147 A150 V157 K158 P159 V160W48-V61 HydrophobicContact CZ2-CG1 4.13Å; W48-V61 HydrophobicContact CZ2-CG2 3.96Å; V61-E146 HydrophobicContact CG1-CB 3.72Å; V61-V147 HydrophobicContact CB-CG2 4.22Å; V61-V147 HydrophobicContact CG1-CB 4.4Å; V61-V147 HydrophobicContact CG1-CG2 3.61Å; V61-A150 HydrophobicContact CG2-CB 3.85Å; V61-V157 HydrophobicContact CG2-CB 3.63Å; V61-V157 HydrophobicContact CG2-CG1 3.59Å; V61-V157 HydrophobicContact CG2-CG2 4.31Å; V61-K158 PolarHBondContact N-O 3.37Å; V61-K158 VanDerWaalsContact N-O 3.14Å; V61-P159 CarbonylContact O-C 3.41Å; V61-P159 VanDerWaalsContact O-CA 3.23Å; V61-P159 WeakPolarHBondContact O-CA 3.38Å; V61-V160 PolarHBondContact O-N 3.46Å
62G97.7Very high98.4Very high16 Ų1623.1 Ų23.117%0.16512%0.123CC..SBendtrans93.4-1.9-170.700000114.4
63D98.4Very high98.4Very high29 Ų2918.4 Ų18.416%0.15510%0.103CC..  trans-74.7-25.5170.562.2-48.9000112.5F10 P60F10-D63 PolarHBondContact N-OD2 2.78Å; P60-D63 HydrophobicContact CB-CB 4.48Å
64F98.7Very high98.4Very high4 Ų412 Ų122%0.0187%0.073CC..  trans-67136.6171.7-175.7-87.6000111.1R12 L19 L43 R44 W66 Q142 E146R12-F64 HydrophobicContact CB-CD2 3.81Å; R12-F64 HydrophobicContact CB-CE2 4.27Å; L19-F64 HydrophobicContact CD1-CE2 4.21Å; L19-F64 HydrophobicContact CD1-CZ 3.82Å; L19-F64 HydrophobicContact CD2-CE2 3.99Å; L19-F64 HydrophobicContact CD2-CZ 4.16Å; L43-F64 HydrophobicContact CB-CE2 4.5Å; R44-F64 HydrophobicContact CG-CB 3.95Å; R44-F64 HydrophobicContact CG-CD1 4.48Å; R44-F64 HydrophobicContact CG-CD2 3.85Å; R44-F64 HydrophobicContact CG-CG 3.83Å; F64-W66 AromaticContact CE1-CD2 3.83Å; F64-W66 HydrophobicContact CE1-CD2 3.83Å; F64-W66 AromaticContact CE1-CE2 3.77Å; F64-W66 HydrophobicContact CE1-CE3 4.11Å; F64-W66 HydrophobicContact CE1-CG 4.29Å; F64-W66 HydrophobicContact CE1-CH2 4.27Å; F64-W66 HydrophobicContact CE1-CZ2 4.01Å; F64-W66 HydrophobicContact CE1-CZ3 4.31Å; F64-W66 HydrophobicContact CZ-CD2 4.34Å; F64-W66 HydrophobicContact CZ-CE3 4.14Å; F64-W66 HydrophobicContact CZ-CH2 4.28Å; F64-W66 HydrophobicContact CZ-CZ2 4.47Å; F64-W66 HydrophobicContact CZ-CZ3 4.11Å; F64-Q142 PolarHBondContact O-NE2 2.84Å; F64-E146 WeakPolarHBondContact CD1-OE1 3.28Å
65A98.5Very high98.5Very high0 Ų011 Ų110%07%0.065CC..  trans-143.7148166.700000111.9R12 Y67 D68 H69R12-A65 VanDerWaalsContact CD-O 3.31Å; R12-A65 WeakPolarHBondContact CD-O 3.48Å; R12-A65 PolarHBondContact NE-O 3.29Å; A65-Y67 PolarHBondContact O-N 3.27Å; A65-D68 WeakPolarHBondContact CB-O 3.33Å; A65-H69 HydrophobicContact CB-CB 4.4Å
66W98.3Very high98.5Very high9 Ų910.4 Ų10.43%0.0346%0.058CC..SBendtrans-71.4-12.3176.4-65.1105.9000114.1L19 Q23 L36 L37 F64 I93 L96L19-W66 HydrophobicContact CD1-CE3 4.16Å; L19-W66 HydrophobicContact CD1-CZ3 4.09Å; Q23-W66 PolarHBondContact NE2-O 2.8Å; L36-W66 HydrophobicContact CD1-CE3 4.12Å; L36-W66 HydrophobicContact CD1-CZ3 3.63Å; L36-W66 HydrophobicContact CD2-CZ3 4.49Å; L36-W66 HydrophobicContact CG-CE3 4.21Å; L36-W66 HydrophobicContact CG-CH2 4.34Å; L36-W66 HydrophobicContact CG-CZ3 3.71Å; L36-W66 VanDerWaalsContact O-CH2 3.3Å; L36-W66 WeakPolarHBondContact O-CH2 3.28Å; L36-W66 WeakPolarHBondContact O-CZ3 3.41Å; L37-W66 HydrophobicContact CD2-CH2 3.99Å; L37-W66 HydrophobicContact CD2-CZ2 3.51Å; F64-W66 AromaticContact CE1-CD2 3.83Å; F64-W66 HydrophobicContact CE1-CD2 3.83Å; F64-W66 AromaticContact CE1-CE2 3.77Å; F64-W66 HydrophobicContact CE1-CE3 4.11Å; F64-W66 HydrophobicContact CE1-CG 4.29Å; F64-W66 HydrophobicContact CE1-CH2 4.27Å; F64-W66 HydrophobicContact CE1-CZ2 4.01Å; F64-W66 HydrophobicContact CE1-CZ3 4.31Å; F64-W66 HydrophobicContact CZ-CD2 4.34Å; F64-W66 HydrophobicContact CZ-CE3 4.14Å; F64-W66 HydrophobicContact CZ-CH2 4.28Å; F64-W66 HydrophobicContact CZ-CZ2 4.47Å; F64-W66 HydrophobicContact CZ-CZ3 4.11Å; W66-I93 HydrophobicContact CD2-CD1 3.84Å; W66-I93 HydrophobicContact CE3-CD1 4.15Å; W66-I93 HydrophobicContact CG-CD1 4.06Å; W66-L96 HydrophobicContact CB-CD1 3.9Å; W66-L96 HydrophobicContact CB-CD2 4.12Å
67Y98Very high98.5Very high15 Ų1510 Ų106%0.0596%0.056CC..SBendtrans-158.3-52.6176.2-159.3-89.9000110.7R12 W27 A65 L96 F97 G100 R101 M126 G513R12-Y67 PolarHBondContact NH2-O 2.96Å; W27-Y67 HydrophobicContact CH2-CD2 4.21Å; W27-Y67 AromaticContact CH2-CE2 3.85Å; W27-Y67 HydrophobicContact CH2-CE2 3.85Å; W27-Y67 AromaticContact CZ2-CD2 3.96Å; W27-Y67 HydrophobicContact CZ2-CD2 3.96Å; W27-Y67 AromaticContact CZ2-CE2 3.92Å; W27-Y67 HydrophobicContact CZ2-CE2 3.92Å; A65-Y67 PolarHBondContact O-N 3.27Å; Y67-L96 HydrophobicContact CG-CD2 4.48Å; Y67-F97 HydrophobicContact CD2-CD1 4.04Å; Y67-F97 HydrophobicContact CD2-CE1 4.18Å; Y67-G100 PolarHBondContact OH-O 3.27Å; Y67-G100 VanDerWaalsContact OH-O 3.04Å; Y67-R101 HydrophobicContact CE2-CG 4.44Å; Y67-M126 HydrophobicContact CD1-CG 4.42Å; Y67-M126 HydrophobicContact CD1-SD 4.42Å; Y67-M126 HydrophobicContact CE1-SD 4.03Å; Y67-G513 VanDerWaalsContact CE2-CA 3.45Å; Y67-G513 VanDerWaalsContact CZ-CA 3.46Å
68D98.3Very high98.4Very high2 Ų28.5 Ų8.51%0.0115%0.052CC..  trans-153145.1179.2169.646.1000110.9A65 V70 L71 T72 Y123 Y125 M126A65-D68 WeakPolarHBondContact CB-O 3.33Å; D68-V70 PolarHBondContact OD1-N 2.79Å; D68-V70 WeakPolarHBondContact OD2-CB 3.31Å; D68-V70 PolarHBondContact OD2-N 2.71Å; D68-L71 HydrophobicContact CB-CB 4.01Å; D68-L71 PolarHBondContact OD2-N 2.73Å; D68-T72 PolarHBondContact O-N 3.04Å; D68-T72 VanDerWaalsContact O-N 3.08Å; D68-T72 PolarHBondContact O-OG1 3.15Å; D68-T72 VanDerWaalsContact O-OG1 3.05Å; D68-Y123 VanDerWaalsContact CA-OH 3.31Å; D68-Y123 WeakPolarHBondContact CA-OH 3.44Å; D68-Y123 PolarHBondContact OD1-OH 2.81Å; D68-Y125 WeakPolarHBondContact OD2-CA 3.44Å; D68-M126 HydrophobicContact CB-CG 4.15Å; D68-M126 PolarHBondContact OD2-N 2.64Å
69H98.5Very high98.4Very high34 Ų348.3 Ų8.316%0.1575%0.051CC..Hα-helixtrans-80-29.8-17870.5-67.6000112.7A65 T72 T73 W118 Y123A65-H69 HydrophobicContact CB-CB 4.4Å; H69-T72 WeakPolarHBondContact O-CB 3.37Å; H69-T72 PolarHBondContact O-N 3.18Å; H69-T73 PolarHBondContact O-N 3.4Å; H69-T73 PolarHBondContact O-OG1 2.95Å; H69-W118 AromaticContact NE2-CH2 3.67Å; H69-W118 AromaticContact NE2-CZ2 3.73Å; H69-W118 AromaticContact NE2-CZ3 3.91Å; H69-Y123 AromaticContact CE1-CE1 3.68Å; H69-Y123 AromaticContact ND1-CE1 3.65Å; H69-Y123 AromaticContact ND1-CZ 3.93Å; H69-Y123 PolarHBondContact ND1-OH 2.89Å
70V98.8Very high98.3Very high0 Ų08.5 Ų8.50%05%0.052CC..Hα-helixtrans-68-42.1171.9-173.30000109.8D68 T72 T73 S74 W118 Y125 P128 L162D68-V70 PolarHBondContact OD1-N 2.79Å; D68-V70 WeakPolarHBondContact OD2-CB 3.31Å; D68-V70 PolarHBondContact OD2-N 2.71Å; V70-T72 VanDerWaalsContact C-N 3.31Å; V70-T72 PolarHBondContact O-N 2.96Å; V70-T73 WeakPolarHBondContact O-CB 3.36Å; V70-T73 PolarHBondContact O-N 2.81Å; V70-T73 VanDerWaalsContact O-N 3.1Å; V70-S74 PolarHBondContact O-N 3.46Å; V70-S74 PolarHBondContact O-OG 2.97Å; V70-W118 HydrophobicContact CG2-CE3 3.99Å; V70-W118 HydrophobicContact CG2-CH2 4.37Å; V70-W118 HydrophobicContact CG2-CZ3 3.51Å; V70-Y125 HydrophobicContact CB-CD2 3.77Å; V70-Y125 HydrophobicContact CB-CG 4.27Å; V70-Y125 HydrophobicContact CG1-CD2 3.73Å; V70-Y125 HydrophobicContact CG1-CE2 4.28Å; V70-Y125 HydrophobicContact CG2-CD2 3.69Å; V70-Y125 HydrophobicContact CG2-CG 3.81Å; V70-P128 HydrophobicContact CG1-CG 3.85Å; V70-L162 HydrophobicContact CB-CD2 4.4Å; V70-L162 HydrophobicContact CG1-CD2 4.05Å; V70-L162 HydrophobicContact CG2-CD2 4.05Å
71L98.7Very high98.1Very high4 Ų49.1 Ų9.12%0.0216%0.056CC..Hα-helixtrans-57-42.7169.6-178.156.2000112.1D68 T73 S74 L75 L96 I99 M126D68-L71 HydrophobicContact CB-CB 4.01Å; D68-L71 PolarHBondContact OD2-N 2.73Å; L71-T73 VanDerWaalsContact C-N 3.29Å; L71-T73 PolarHBondContact O-N 3.4Å; L71-S74 WeakPolarHBondContact O-CB 3.38Å; L71-S74 PolarHBondContact O-N 3.2Å; L71-L75 HydrophobicContact CD1-CD2 4.4Å; L71-L75 HydrophobicContact CD1-CG 4.19Å; L71-L75 HydrophobicContact CG-CD1 4.49Å; L71-L75 HydrophobicContact CG-CG 4.45Å; L71-L75 WeakPolarHBondContact O-CG 3.41Å; L71-L75 PolarHBondContact O-N 2.91Å; L71-L96 HydrophobicContact CD2-CD2 4.01Å; L71-L96 HydrophobicContact CD2-CG 3.77Å; L71-L96 HydrophobicContact CG-CG 4.29Å; L71-I99 HydrophobicContact CD1-CB 4.07Å; L71-I99 HydrophobicContact CD1-CD1 3.9Å; L71-I99 HydrophobicContact CD1-CG2 3.61Å; L71-I99 HydrophobicContact CD2-CB 4.47Å; L71-I99 HydrophobicContact CD2-CG2 4.43Å; L71-M126 HydrophobicContact CB-CB 4.1Å; L71-M126 HydrophobicContact CB-CG 4.14Å; L71-M126 HydrophobicContact CD2-CG 4.12Å
72T98.4Very high97.9Very high16 Ų1613.1 Ų13.110%0.0989%0.089CC..Hα-helixtrans-56.4-43.9174.1-60.10000111.5D68 H69 V70 L75 L76D68-T72 PolarHBondContact O-N 3.04Å; D68-T72 VanDerWaalsContact O-N 3.08Å; D68-T72 PolarHBondContact O-OG1 3.15Å; D68-T72 VanDerWaalsContact O-OG1 3.05Å; H69-T72 WeakPolarHBondContact O-CB 3.37Å; H69-T72 PolarHBondContact O-N 3.18Å; V70-T72 VanDerWaalsContact C-N 3.31Å; V70-T72 PolarHBondContact O-N 2.96Å; T72-L75 PolarHBondContact O-N 3.19Å; T72-L76 WeakPolarHBondContact O-CB 3.35Å; T72-L76 PolarHBondContact O-N 2.87Å
73T98.7Very high97.7Very high10 Ų1017.4 Ų17.46%0.06110%0.1CC..Hα-helixtrans-64.7-42.5175.3-57.30000111.9H69 V70 L71 L75 L76 L77 L162 W167H69-T73 PolarHBondContact O-N 3.4Å; H69-T73 PolarHBondContact O-OG1 2.95Å; V70-T73 WeakPolarHBondContact O-CB 3.36Å; V70-T73 PolarHBondContact O-N 2.81Å; V70-T73 VanDerWaalsContact O-N 3.1Å; L71-T73 VanDerWaalsContact C-N 3.29Å; L71-T73 PolarHBondContact O-N 3.4Å; T73-L75 VanDerWaalsContact C-N 3.34Å; T73-L75 PolarHBondContact O-N 3.14Å; T73-L76 WeakPolarHBondContact O-CB 3.45Å; T73-L76 PolarHBondContact O-N 3.07Å; T73-L76 VanDerWaalsContact O-N 3.13Å; T73-L77 HydrophobicContact CG2-CD1 4.08Å; T73-L77 WeakPolarHBondContact O-CG 3.48Å; T73-L77 PolarHBondContact O-N 3.42Å; T73-L162 HydrophobicContact CG2-CB 4.31Å; T73-W167 HydrophobicContact CG2-CG 4.01Å
74S98.7Very high97.6Very high4 Ų416 Ų163%0.0289%0.093CC..Hα-helixtrans-58.8-45.1175.4-630000111.6V70 L71 L76 L77 G78 N79 W167V70-S74 PolarHBondContact O-N 3.46Å; V70-S74 PolarHBondContact O-OG 2.97Å; L71-S74 WeakPolarHBondContact O-CB 3.38Å; L71-S74 PolarHBondContact O-N 3.2Å; S74-L76 VanDerWaalsContact C-N 3.35Å; S74-L76 PolarHBondContact O-N 3.04Å; S74-L77 PolarHBondContact O-N 3.24Å; S74-G78 PolarHBondContact O-N 3.41Å; S74-G78 VanDerWaalsContact O-N 3.09Å; S74-N79 WeakPolarHBondContact O-CA 3.35Å; S74-N79 WeakPolarHBondContact O-CB 3.46Å; S74-N79 PolarHBondContact O-N 2.78Å; S74-W167 PolarHBondContact OG-NE1 2.92Å
75L98.5Very high97.3Very high0 Ų021.2 Ų21.20%012%0.117CC..Hα-helixtrans-68.3-33.2175.7-62.3-174.7000112.6L71 T72 T73 L77 G78 V80 V91 L96 I99 T139 W140L71-L75 HydrophobicContact CD1-CD2 4.4Å; L71-L75 HydrophobicContact CD1-CG 4.19Å; L71-L75 HydrophobicContact CG-CD1 4.49Å; L71-L75 HydrophobicContact CG-CG 4.45Å; L71-L75 WeakPolarHBondContact O-CG 3.41Å; L71-L75 PolarHBondContact O-N 2.91Å; T72-L75 PolarHBondContact O-N 3.19Å; T73-L75 VanDerWaalsContact C-N 3.34Å; T73-L75 PolarHBondContact O-N 3.14Å; L75-L77 VanDerWaalsContact C-N 3.28Å; L75-L77 PolarHBondContact O-N 3.32Å; L75-G78 PolarHBondContact O-N 3.28Å; L75-V80 HydrophobicContact CD2-CG2 3.71Å; L75-V91 HydrophobicContact CB-CG1 4.28Å; L75-V91 HydrophobicContact CD1-CG1 4.29Å; L75-V91 HydrophobicContact CD2-CG1 3.8Å; L75-V91 HydrophobicContact CG-CG1 4.34Å; L75-L96 HydrophobicContact CD1-CB 3.59Å; L75-L96 HydrophobicContact CD1-CD1 3.79Å; L75-L96 HydrophobicContact CD1-CG 3.8Å; L75-I99 HydrophobicContact CD2-CD1 3.71Å; L75-T139 PolarHBondContact O-OG1 3.42Å; L75-W140 HydrophobicContact CB-CB 3.7Å; L75-W140 HydrophobicContact CB-CD2 4.23Å; L75-W140 HydrophobicContact CB-CG 3.82Å; L75-W140 HydrophobicContact CD1-CD2 4.24Å; L75-W140 HydrophobicContact CD1-CE3 4.39Å; L75-W140 VanDerWaalsContact O-CB 3.27Å; L75-W140 WeakPolarHBondContact O-CB 3.46Å; L75-W140 PolarHBondContact O-N 3.24Å
76L98.5Very high97Very high8 Ų822.5 Ų22.54%0.04212%0.124CC..Hα-helixtrans-60.8-41.6173.6177.3150.8000110.5T72 T73 S74 G78 L138 T139 W140 L161 V190 V194T72-L76 WeakPolarHBondContact O-CB 3.35Å; T72-L76 PolarHBondContact O-N 2.87Å; T73-L76 WeakPolarHBondContact O-CB 3.45Å; T73-L76 PolarHBondContact O-N 3.07Å; T73-L76 VanDerWaalsContact O-N 3.13Å; S74-L76 VanDerWaalsContact C-N 3.35Å; S74-L76 PolarHBondContact O-N 3.04Å; L76-G78 VanDerWaalsContact C-N 3.31Å; L76-G78 PolarHBondContact O-N 3.13Å; L76-L138 HydrophobicContact CD2-CD1 4.37Å; L76-L138 HydrophobicContact CG-CD1 3.84Å; L76-L138 VanDerWaalsContact O-CA 3.3Å; L76-L138 WeakPolarHBondContact O-CA 3.46Å; L76-T139 PolarHBondContact O-N 2.76Å; L76-W140 HydrophobicContact CB-CB 4.47Å; L76-L161 HydrophobicContact CD1-CD2 4.5Å; L76-V190 HydrophobicContact CD2-CG1 4.06Å; L76-V194 HydrophobicContact CD1-CG2 4.2Å; L76-V194 HydrophobicContact CD2-CG2 4.12Å; L76-V194 HydrophobicContact CG-CG2 4.37Å
77L98.4Very high96.6Very high0 Ų032 Ų320%017%0.165CC..Hα-helixtrans-79.8-8.2178.6-64.5171.9000114.1T73 S74 L75 N79 F136 K137 W167 I187 V190 Y191T73-L77 HydrophobicContact CG2-CD1 4.08Å; T73-L77 WeakPolarHBondContact O-CG 3.48Å; T73-L77 PolarHBondContact O-N 3.42Å; S74-L77 PolarHBondContact O-N 3.24Å; L75-L77 VanDerWaalsContact C-N 3.28Å; L75-L77 PolarHBondContact O-N 3.32Å; L77-N79 VanDerWaalsContact C-N 3.31Å; L77-F136 HydrophobicContact CB-CD1 4.16Å; L77-F136 WeakPolarHBondContact O-CA 3.32Å; L77-F136 WeakPolarHBondContact O-CB 3.49Å; L77-F136 WeakPolarHBondContact O-CD1 3.01Å; L77-K137 CarbonylContact C-O 3.16Å; L77-K137 PolarHBondContact O-N 3.21Å; L77-W167 HydrophobicContact CD1-CD2 3.63Å; L77-W167 HydrophobicContact CD1-CE3 3.69Å; L77-W167 HydrophobicContact CD1-CG 4.34Å; L77-W167 HydrophobicContact CD1-CH2 3.71Å; L77-W167 HydrophobicContact CD1-CZ2 3.68Å; L77-W167 HydrophobicContact CD1-CZ3 3.74Å; L77-I187 HydrophobicContact CD1-CG2 4.39Å; L77-I187 HydrophobicContact CD2-CB 4.22Å; L77-V190 HydrophobicContact CD2-CB 3.76Å; L77-V190 HydrophobicContact CD2-CG1 3.82Å; L77-V190 HydrophobicContact CD2-CG2 4.4Å; L77-Y191 HydrophobicContact CD1-CE2 3.99Å; L77-Y191 HydrophobicContact CD2-CD2 3.91Å; L77-Y191 HydrophobicContact CD2-CE2 3.69Å; L77-Y191 HydrophobicContact CG-CE2 4.35Å
78G97.4Very high96.3Very high17 Ų1737.2 Ų37.218%0.17520%0.195CC..THydrogen-bonded Turntrans76.617.3-173.800000114.2S74 L75 L76 V80 K137 T139S74-G78 PolarHBondContact O-N 3.41Å; S74-G78 VanDerWaalsContact O-N 3.09Å; L75-G78 PolarHBondContact O-N 3.28Å; L76-G78 VanDerWaalsContact C-N 3.31Å; L76-G78 PolarHBondContact O-N 3.13Å; G78-V80 PolarHBondContact O-N 2.58Å; G78-K137 PolarHBondContact N-O 2.53Å; G78-T139 WeakPolarHBondContact CA-OG1 3.42Å; G78-T139 PolarHBondContact N-OG1 3.29Å
79N97.7Very high95.9Very high3 Ų339.2 Ų39.22%0.01622%0.216CC..  trans-76.189.6172.3-178-107.4000110.1S74 L77 E129 Q134 F136 W167S74-N79 WeakPolarHBondContact O-CA 3.35Å; S74-N79 WeakPolarHBondContact O-CB 3.46Å; S74-N79 PolarHBondContact O-N 2.78Å; L77-N79 VanDerWaalsContact C-N 3.31Å; N79-E129 PolarHBondContact ND2-O 2.88Å; N79-E129 PolarHBondContact OD1-N 2.97Å; N79-Q134 PolarHBondContact ND2-NE2 3.31Å; N79-Q134 PolarHBondContact ND2-OE1 3.35Å; N79-F136 HydrophobicContact CB-CE1 4.38Å; N79-W167 HydrophobicContact CB-CH2 4.03Å; N79-W167 HydrophobicContact CB-CZ2 3.74Å
80V96.8Very high95.6Very high7 Ų739.8 Ų39.84%0.04222%0.223CC..  trans-122118.8176.3-179.80000109.4L75 G78 A82 H84 Q85 V91 T95 I99L75-V80 HydrophobicContact CD2-CG2 3.71Å; G78-V80 PolarHBondContact O-N 2.58Å; V80-A82 PolarHBondContact O-N 3.41Å; V80-H84 HydrophobicContact CG1-CB 4.35Å; V80-Q85 HydrophobicContact CB-CG 4.07Å; V80-Q85 HydrophobicContact CG1-CB 4.44Å; V80-Q85 HydrophobicContact CG1-CG 3.6Å; V80-Q85 PolarHBondContact O-NE2 3.05Å; V80-V91 HydrophobicContact CG2-CG1 4.42Å; V80-V91 HydrophobicContact CG2-CG2 3.92Å; V80-T95 HydrophobicContact CG1-CG2 3.69Å; V80-T95 HydrophobicContact CG2-CG2 4.23Å; V80-I99 HydrophobicContact CG1-CD1 4.25Å
81P95.4Very high95.4Very high13 Ų1341.2 Ų41.28%0.08423%0.232CC..  trans-55.8138.5175.4-24.632.8000111.7R83 H84 Q85 E129P81-R83 HydrophobicContact CB-CG 4.35Å; P81-R83 PolarHBondContact O-N 2.56Å; P81-H84 PolarHBondContact O-N 3.25Å; P81-Q85 PolarHBondContact O-N 2.85Å; P81-E129 HydrophobicContact CG-CB 4.24Å; P81-E129 HydrophobicContact CG-CG 4.43Å
82A93.5Very high95.3Very high85 Ų8542.7 Ų42.770%0.70224%0.24SC*.G310 helixtrans-51.8-38-17400000113.3V80 H84 Q85V80-A82 PolarHBondContact O-N 3.41Å; A82-H84 PolarHBondContact O-N 3.42Å; A82-H84 VanDerWaalsContact O-N 3.15Å; A82-Q85 PolarHBondContact O-N 3.37Å
83R94.1Very high95.2Very high105 Ų10542 Ų4240%0.39624%0.236SC..G310 helixtrans-65.9-11.1178.268.7-176.3-178.2-80.8-2.3115.3P81 A110 A111 E129P81-R83 HydrophobicContact CB-CG 4.35Å; P81-R83 PolarHBondContact O-N 2.56Å; R83-A110 HydrophobicContact CB-CB 4.32Å; R83-A110 HydrophobicContact CG-CB 4.36Å; R83-A111 PolarHBondContact NE-O 2.92Å; R83-E129 IonicContact CZ-OE1 2.73Å; R83-E129 IonicContact CZ-OE2 3.86Å; R83-E129 IonicContact NH1-OE1 3.24Å; R83-E129 IonicContact NH1-OE2 3.9Å; R83-E129 PolarHBondContact NH1-OE2 3.28Å; R83-E129 IonicContact NH2-OE1 2.93Å; R83-E129 PolarHBondContact NH2-OE1 3.47Å; R83-E129 IonicContact NH2-OE2 3.4Å; R83-E129 PolarHBondContact NH2-OE2 3.35Å
84H95.4Very high95.1Very high1 Ų141.7 Ų41.71%0.00523%0.234CC..G310 helixtrans-116.7-4.8-179.8-61.2-49.2000113.7V80 P81 A82 R98 I99 A111V80-H84 HydrophobicContact CG1-CB 4.35Å; P81-H84 PolarHBondContact O-N 3.25Å; A82-H84 PolarHBondContact O-N 3.42Å; A82-H84 VanDerWaalsContact O-N 3.15Å; H84-R98 HydrophobicContact CB-CB 4.37Å; H84-R98 PolarHBondContact CE1-O 3.39Å; H84-R98 PolarHBondContact O-NH2 3.42Å; H84-R98 VanDerWaalsContact O-NH2 3.07Å; H84-I99 HydrophobicContact CB-CG1 3.87Å; H84-A111 PolarHBondContact CE1-O 3.41Å; H84-A111 PolarHBondContact NE2-O 2.76Å
85Q92.8Very high95Very high113 Ų11341.5 Ų41.553%0.52823%0.232SC..  trans-65.1136.7-179.8-69.3-179.29.700111.2V80 P81 A82V80-Q85 HydrophobicContact CB-CG 4.07Å; V80-Q85 HydrophobicContact CG1-CB 4.44Å; V80-Q85 HydrophobicContact CG1-CG 3.6Å; V80-Q85 PolarHBondContact O-NE2 3.05Å; P81-Q85 PolarHBondContact O-N 2.85Å; A82-Q85 PolarHBondContact O-N 3.37Å
86N92.6Very high95Very high27 Ų2741.5 Ų41.514%0.14423%0.232CC..  trans-67.5149.1168.3-73.3-21.3000109.8D88 G89 S90 D92 T95 R98N86-D88 VanDerWaalsContact CB-OD1 3.28Å; N86-D88 WeakPolarHBondContact CB-OD1 3.28Å; N86-D88 PolarHBondContact O-N 3.23Å; N86-G89 PolarHBondContact O-N 3.45Å; N86-S90 WeakPolarHBondContact CB-O 3.4Å; N86-S90 PolarHBondContact ND2-O 2.72Å; N86-S90 PolarHBondContact ND2-OG 3.45Å; N86-D92 PolarHBondContact ND2-OD2 3.17Å; N86-T95 PolarHBondContact ND2-OG1 3.06Å; N86-R98 PolarHBondContact OD1-NH2 2.99Å
87K90.1Very high94.9Very high207 Ų20741.1 Ų41.190%0.923%0.23SC*.THydrogen-bonded Turntrans-60.3-28.1-178.6-68.3-177.3179176.10113.4
88D91.4Very high94.8Very high126 Ų12641.4 Ų41.467%0.67423%0.231SC*.THydrogen-bonded Turntrans-90.80.6177.366.5-7000113.5N86 S90N86-D88 VanDerWaalsContact CB-OD1 3.28Å; N86-D88 WeakPolarHBondContact CB-OD1 3.28Å; N86-D88 PolarHBondContact O-N 3.23Å; D88-S90 VanDerWaalsContact CG-OG 3.31Å; D88-S90 PolarHBondContact O-N 3.37Å; D88-S90 VanDerWaalsContact OD1-CB 3.24Å; D88-S90 WeakPolarHBondContact OD1-CB 3.3Å; D88-S90 PolarHBondContact OD1-N 3.42Å; D88-S90 PolarHBondContact OD1-OG 2.96Å; D88-S90 PolarHBondContact OD2-OG 2.91Å
89G88.4Confident94.7Very high44 Ų4440.9 Ų40.945%0.45422%0.224SC..  trans74.28.4-176.900000114.7N86N86-G89 PolarHBondContact O-N 3.45Å
90S92.8Very high94.6Very high45 Ų4541 Ų4132%0.31523%0.226SC..  trans-70.7153.6173.766.50000111.8N86 D88N86-S90 WeakPolarHBondContact CB-O 3.4Å; N86-S90 PolarHBondContact ND2-O 2.72Å; N86-S90 PolarHBondContact ND2-OG 3.45Å; D88-S90 VanDerWaalsContact CG-OG 3.31Å; D88-S90 PolarHBondContact O-N 3.37Å; D88-S90 VanDerWaalsContact OD1-CB 3.24Å; D88-S90 WeakPolarHBondContact OD1-CB 3.3Å; D88-S90 PolarHBondContact OD1-N 3.42Å; D88-S90 PolarHBondContact OD1-OG 2.96Å; D88-S90 PolarHBondContact OD2-OG 2.91Å
91V95.8Very high94.4Very high30 Ų3045.3 Ų45.318%0.18224%0.242CC..  trans-120.2116.1173.5-1780000107.4L75 V80 T95 T139 W140L75-V91 HydrophobicContact CB-CG1 4.28Å; L75-V91 HydrophobicContact CD1-CG1 4.29Å; L75-V91 HydrophobicContact CD2-CG1 3.8Å; L75-V91 HydrophobicContact CG-CG1 4.34Å; V80-V91 HydrophobicContact CG2-CG1 4.42Å; V80-V91 HydrophobicContact CG2-CG2 3.92Å; V91-T95 HydrophobicContact CG1-CG2 4.24Å; V91-T139 HydrophobicContact CG2-CG2 4.35Å; V91-W140 HydrophobicContact CG1-CE3 3.97Å; V91-W140 HydrophobicContact CG1-CZ3 4.41Å
92D95.5Very high94.3Very high35 Ų3545 Ų4519%0.18724%0.241CC..  trans-126.3-176.1179.96234.6000110.9N86 D94 T95 L96N86-D92 PolarHBondContact ND2-OD2 3.17Å; D92-D94 PolarHBondContact O-N 3.41Å; D92-D94 WeakPolarHBondContact OD1-CA 3.47Å; D92-D94 WeakPolarHBondContact OD1-CB 3.47Å; D92-D94 PolarHBondContact OD1-N 3.28Å; D92-T95 WeakPolarHBondContact O-CB 3.35Å; D92-T95 PolarHBondContact O-N 3.43Å; D92-T95 PolarHBondContact OD1-N 2.95Å; D92-T95 PolarHBondContact OD1-OG1 2.84Å; D92-L96 PolarHBondContact O-N 3.29Å; D92-L96 VanDerWaalsContact O-N 3.17Å
93I97.1Very high94.2Very high2 Ų248.2 Ų48.21%0.0124%0.235CC..Hα-helixtrans-67.6-24.2179.8-158.8168.3000112.6Y26 R33 L36 L37 W66 L96 F97 W140Y26-I93 HydrophobicContact CE1-CG2 4.44Å; R33-I93 HydrophobicContact CG-CG2 4.16Å; L36-I93 HydrophobicContact CD2-CD1 3.62Å; L36-I93 HydrophobicContact CG-CD1 4.35Å; L37-I93 HydrophobicContact CD2-CD1 4.25Å; W66-I93 HydrophobicContact CD2-CD1 3.84Å; W66-I93 HydrophobicContact CE3-CD1 4.15Å; W66-I93 HydrophobicContact CG-CD1 4.06Å; I93-L96 WeakPolarHBondContact O-CB 3.11Å; I93-L96 PolarHBondContact O-N 3.38Å; I93-F97 HydrophobicContact CD1-CE2 4.03Å; I93-F97 HydrophobicContact CD1-CZ 4.22Å; I93-F97 HydrophobicContact CG1-CD2 4.2Å; I93-F97 HydrophobicContact CG1-CE2 3.64Å; I93-F97 HydrophobicContact CG1-CZ 4.03Å; I93-F97 WeakPolarHBondContact O-CD2 3.43Å; I93-F97 WeakPolarHBondContact O-CG 3.39Å; I93-F97 PolarHBondContact O-N 3.08Å; I93-W140 HydrophobicContact CB-CH2 4.36Å
94D96.5Very high94.2Very high4 Ų443.6 Ų43.62%0.02122%0.219CC..Hα-helixtrans-78.1-33.7175.8-79.43.7000110.9Y26 D92 L96 F97 R98 A104 T106Y26-D94 WeakPolarHBondContact CE1-OD1 3.49Å; Y26-D94 VanDerWaalsContact CZ-OD1 3.25Å; Y26-D94 VanDerWaalsContact OH-CG 3.27Å; Y26-D94 PolarHBondContact OH-OD1 3.09Å; Y26-D94 PolarHBondContact OH-OD2 3.31Å; D92-D94 PolarHBondContact O-N 3.41Å; D92-D94 WeakPolarHBondContact OD1-CA 3.47Å; D92-D94 WeakPolarHBondContact OD1-CB 3.47Å; D92-D94 PolarHBondContact OD1-N 3.28Å; D94-L96 VanDerWaalsContact C-N 3.31Å; D94-L96 PolarHBondContact O-N 2.79Å; D94-F97 PolarHBondContact O-N 3.29Å; D94-R98 WeakPolarHBondContact O-CB 3.48Å; D94-R98 WeakPolarHBondContact O-CG 3.34Å; D94-R98 PolarHBondContact O-N 2.78Å; D94-A104 HydrophobicContact CB-CB 3.69Å; D94-A104 WeakPolarHBondContact O-CB 3.35Å; D94-T106 WeakPolarHBondContact CB-OG1 3.21Å; D94-T106 VanDerWaalsContact OD2-CB 3.28Å; D94-T106 WeakPolarHBondContact OD2-CB 3.37Å; D94-T106 WeakPolarHBondContact OD2-CG2 3.4Å; D94-T106 PolarHBondContact OD2-N 3.14Å; D94-T106 PolarHBondContact OD2-OG1 3.05Å
95T96.8Very high94.1Very high0 Ų046.5 Ų46.50%024%0.239CC..Hα-helixtrans-56.4-47.7166.5-56.60000110.5V80 N86 V91 D92 F97 R98 I99V80-T95 HydrophobicContact CG1-CG2 3.69Å; V80-T95 HydrophobicContact CG2-CG2 4.23Å; N86-T95 PolarHBondContact ND2-OG1 3.06Å; V91-T95 HydrophobicContact CG1-CG2 4.24Å; D92-T95 WeakPolarHBondContact O-CB 3.35Å; D92-T95 PolarHBondContact O-N 3.43Å; D92-T95 PolarHBondContact OD1-N 2.95Å; D92-T95 PolarHBondContact OD1-OG1 2.84Å; T95-F97 PolarHBondContact O-N 3.01Å; T95-R98 VanDerWaalsContact CA-NH2 3.31Å; T95-R98 PolarHBondContact O-N 2.95Å; T95-R98 PolarHBondContact OG1-NH2 3.01Å; T95-I99 HydrophobicContact CG2-CD1 4.26Å; T95-I99 WeakPolarHBondContact O-CG1 3.44Å; T95-I99 PolarHBondContact O-N 2.98Å; T95-I99 VanDerWaalsContact O-N 3.08Å
96L97.6Very high94Very high0 Ų044.8 Ų44.80%024%0.236CC..Hα-helixtrans-55.4-49.8175.3-175159.4000111.4W66 Y67 L71 L75 D92 I93 D94 I99 G100 W140W66-L96 HydrophobicContact CB-CD1 3.9Å; W66-L96 HydrophobicContact CB-CD2 4.12Å; Y67-L96 HydrophobicContact CG-CD2 4.48Å; L71-L96 HydrophobicContact CD2-CD2 4.01Å; L71-L96 HydrophobicContact CD2-CG 3.77Å; L71-L96 HydrophobicContact CG-CG 4.29Å; L75-L96 HydrophobicContact CD1-CB 3.59Å; L75-L96 HydrophobicContact CD1-CD1 3.79Å; L75-L96 HydrophobicContact CD1-CG 3.8Å; D92-L96 PolarHBondContact O-N 3.29Å; D92-L96 VanDerWaalsContact O-N 3.17Å; I93-L96 WeakPolarHBondContact O-CB 3.11Å; I93-L96 PolarHBondContact O-N 3.38Å; D94-L96 VanDerWaalsContact C-N 3.31Å; D94-L96 PolarHBondContact O-N 2.79Å; L96-I99 PolarHBondContact O-N 3.48Å; L96-G100 PolarHBondContact O-N 3.44Å; L96-W140 HydrophobicContact CD1-CZ2 4.01Å
97F96.8Very high93.9Very high0 Ų046 Ų460%025%0.254CS..Hα-helixtrans-70.4-34.7179.9-66.1-44.7000113.4Q23 Y26 W27 L36 Y67 I93 D94 T95 I99 G100 R101 A104Q23-F97 HydrophobicContact CG-CZ 4.42Å; Y26-F97 HydrophobicContact CD1-CD2 4.12Å; Y26-F97 AromaticContact CD1-CE2 3.67Å; Y26-F97 HydrophobicContact CD1-CE2 3.67Å; Y26-F97 AromaticContact CE1-CD2 3.86Å; Y26-F97 HydrophobicContact CE1-CD2 3.86Å; Y26-F97 AromaticContact CE1-CE2 3.7Å; Y26-F97 HydrophobicContact CE1-CE2 3.7Å; W27-F97 AromaticContact CD1-CD2 3.82Å; W27-F97 AromaticContact CE2-CD1 3.74Å; W27-F97 AromaticContact CE2-CE1 3.75Å; W27-F97 AromaticContact CZ2-CD1 3.65Å; W27-F97 HydrophobicContact CZ2-CD1 3.65Å; W27-F97 AromaticContact CZ2-CE1 3.5Å; W27-F97 HydrophobicContact CZ2-CE1 3.5Å; W27-F97 HydrophobicContact CZ2-CG 4.45Å; W27-F97 HydrophobicContact CZ2-CZ 4.17Å; W27-F97 AromaticContact NE1-CD1 3.26Å; W27-F97 VanDerWaalsContact NE1-CD1 3.26Å; W27-F97 AromaticContact NE1-CD2 3.23Å; W27-F97 AromaticContact NE1-CE1 3.38Å; W27-F97 AromaticContact NE1-CE2 3.32Å; W27-F97 VanDerWaalsContact NE1-CE2 3.32Å; W27-F97 AromaticContact NE1-CG 3.19Å; W27-F97 AromaticContact NE1-CZ 3.4Å; L36-F97 HydrophobicContact CD2-CE2 3.92Å; L36-F97 HydrophobicContact CD2-CZ 4.06Å; Y67-F97 HydrophobicContact CD2-CD1 4.04Å; Y67-F97 HydrophobicContact CD2-CE1 4.18Å; I93-F97 HydrophobicContact CD1-CE2 4.03Å; I93-F97 HydrophobicContact CD1-CZ 4.22Å; I93-F97 HydrophobicContact CG1-CD2 4.2Å; I93-F97 HydrophobicContact CG1-CE2 3.64Å; I93-F97 HydrophobicContact CG1-CZ 4.03Å; I93-F97 WeakPolarHBondContact O-CD2 3.43Å; I93-F97 WeakPolarHBondContact O-CG 3.39Å; I93-F97 PolarHBondContact O-N 3.08Å; D94-F97 PolarHBondContact O-N 3.29Å; T95-F97 PolarHBondContact O-N 3.01Å; F97-I99 VanDerWaalsContact C-N 3.29Å; F97-I99 PolarHBondContact O-N 2.93Å; F97-G100 PolarHBondContact O-N 3.5Å; F97-R101 HydrophobicContact CB-CG 4.35Å; F97-R101 WeakPolarHBondContact O-CG 3.09Å; F97-R101 PolarHBondContact O-N 3.15Å; F97-A104 HydrophobicContact CB-CB 3.93Å
98R96Very high93.8Very high6 Ų643.2 Ų43.22%0.02325%0.245CC..Hα-helixtrans-62.1-39.3174.1-74.9-171.6-54.6-88.6-4.6111.4H84 N86 D94 T95 G102 A104 T106H84-R98 HydrophobicContact CB-CB 4.37Å; H84-R98 PolarHBondContact CE1-O 3.39Å; H84-R98 PolarHBondContact O-NH2 3.42Å; H84-R98 VanDerWaalsContact O-NH2 3.07Å; N86-R98 PolarHBondContact OD1-NH2 2.99Å; D94-R98 WeakPolarHBondContact O-CB 3.48Å; D94-R98 WeakPolarHBondContact O-CG 3.34Å; D94-R98 PolarHBondContact O-N 2.78Å; T95-R98 VanDerWaalsContact CA-NH2 3.31Å; T95-R98 PolarHBondContact O-N 2.95Å; T95-R98 PolarHBondContact OG1-NH2 3.01Å; R98-G102 WeakPolarHBondContact O-CA 3.37Å; R98-G102 PolarHBondContact O-N 2.88Å; R98-A104 HydrophobicContact CG-CB 3.81Å; R98-T106 PolarHBondContact NH1-O 3.39Å
99I96.2Very high93.6Very high5 Ų541.2 Ų41.23%0.02624%0.239CC..Hα-helixtrans-64.5-50.6173.1-61.9163.5000110.5L71 L75 V80 H84 T95 L96 F97 R101 A113L71-I99 HydrophobicContact CD1-CB 4.07Å; L71-I99 HydrophobicContact CD1-CD1 3.9Å; L71-I99 HydrophobicContact CD1-CG2 3.61Å; L71-I99 HydrophobicContact CD2-CB 4.47Å; L71-I99 HydrophobicContact CD2-CG2 4.43Å; L75-I99 HydrophobicContact CD2-CD1 3.71Å; V80-I99 HydrophobicContact CG1-CD1 4.25Å; H84-I99 HydrophobicContact CB-CG1 3.87Å; T95-I99 HydrophobicContact CG2-CD1 4.26Å; T95-I99 WeakPolarHBondContact O-CG1 3.44Å; T95-I99 PolarHBondContact O-N 2.98Å; T95-I99 VanDerWaalsContact O-N 3.08Å; L96-I99 PolarHBondContact O-N 3.48Å; F97-I99 VanDerWaalsContact C-N 3.29Å; F97-I99 PolarHBondContact O-N 2.93Å; I99-R101 PolarHBondContact O-N 3.48Å; I99-A113 HydrophobicContact CG2-CB 3.68Å; I99-A113 PolarHBondContact O-N 3.38Å
100G94.1Very high93.7Very high6 Ų640.4 Ų40.46%0.06223%0.228CC..Hα-helixtrans-68.5-30.1-173.300000115.4Y67 L96 F97Y67-G100 PolarHBondContact OH-O 3.27Å; Y67-G100 VanDerWaalsContact OH-O 3.04Å; L96-G100 PolarHBondContact O-N 3.44Å; F97-G100 PolarHBondContact O-N 3.5Å
101R92.9Very high93.4Very high98 Ų9841.5 Ų41.537%0.3724%0.24SC..Hα-helixtrans-143.88.9-170.354.2178.3-39.8-73.6-3.5115Y67 F97 I99 R103Y67-R101 HydrophobicContact CE2-CG 4.44Å; F97-R101 HydrophobicContact CB-CG 4.35Å; F97-R101 WeakPolarHBondContact O-CG 3.09Å; F97-R101 PolarHBondContact O-N 3.15Å; I99-R101 PolarHBondContact O-N 3.48Å; R101-R103 WeakPolarHBondContact CG-O 3.44Å; R101-R103 PolarHBondContact NH1-O 3.04Å; R101-R103 PolarHBondContact O-N 2.93Å; R101-R103 VanDerWaalsContact O-N 3.12Å
102G93.2Very high93.1Very high7 Ų741.1 Ų41.17%0.07224%0.24CC..SBendtrans75.9-7.4175.100000115.5R98 P109 A110R98-G102 WeakPolarHBondContact O-CA 3.37Å; R98-G102 PolarHBondContact O-N 2.88Å; G102-P109 WeakPolarHBondContact O-CA 3.39Å; G102-A110 CarbonylContact C-O 3.55Å; G102-A110 WeakPolarHBondContact CA-O 3.43Å; G102-A110 PolarHBondContact O-N 3.08Å
103R92.3Very high92.9Very high151 Ų15139.6 Ų39.657%0.5723%0.232SC*.  trans-154.9144-178.4-174.6174.3177.7-178-0.1111.8R101 P109R101-R103 WeakPolarHBondContact CG-O 3.44Å; R101-R103 PolarHBondContact NH1-O 3.04Å; R101-R103 PolarHBondContact O-N 2.93Å; R101-R103 VanDerWaalsContact O-N 3.12Å; R103-P109 HydrophobicContact CG-CG 4.39Å
104A93.7Very high92.5Very high8 Ų841.3 Ų41.37%0.06624%0.24CC..  trans-135175.9170.700000109.6D94 F97 R98 T106D94-A104 HydrophobicContact CB-CB 3.69Å; D94-A104 WeakPolarHBondContact O-CB 3.35Å; F97-A104 HydrophobicContact CB-CB 3.93Å; R98-A104 HydrophobicContact CG-CB 3.81Å; A104-T106 PolarHBondContact O-N 3.18Å
105P93.4Very high92.1Very high63 Ų6342.2 Ų42.241%0.40924%0.244SC..SBendtrans-56.5-34.4173.3-29.539.1000113.7Y26Y26-P105 HydrophobicContact CD1-CG 4.09Å; Y26-P105 HydrophobicContact CE1-CG 3.71Å; Y26-P105 HydrophobicContact CE2-CG 4.31Å; Y26-P105 WeakPolarHBondContact O-CG 3.29Å
106T91.5Very high91.7Very high76 Ų7643.4 Ų43.447%0.46625%0.251SS..SBendtrans-117159.7173.974.40000113.2D94 R98 A104D94-T106 WeakPolarHBondContact CB-OG1 3.21Å; D94-T106 VanDerWaalsContact OD2-CB 3.28Å; D94-T106 WeakPolarHBondContact OD2-CB 3.37Å; D94-T106 WeakPolarHBondContact OD2-CG2 3.4Å; D94-T106 PolarHBondContact OD2-N 3.14Å; D94-T106 PolarHBondContact OD2-OG1 3.05Å; R98-T106 PolarHBondContact NH1-O 3.39Å; A104-T106 PolarHBondContact O-N 3.18Å
107G89Confident91.4Very high52 Ų5244.4 Ų44.454%0.53626%0.256SS..SBendtrans87169.5-177.400000113.9
108E88.1Confident91.3Very high149 Ų14944.7 Ų44.770%0.69626%0.257SS*.  trans-81.3136.7-179.7-68.6-179.1-176.200110.8
109P88.5Confident91.2Very high84 Ų8445.8 Ų45.855%0.54526%0.262SS..  trans-61.1138.1171.4-21.933.1000111.6G102 R103G102-P109 WeakPolarHBondContact O-CA 3.39Å; R103-P109 HydrophobicContact CG-CG 4.39Å
110A89.5Confident91.1Very high27 Ų2747.3 Ų47.322%0.22327%0.27CS..  trans-147170.1176.200000110.1R83 G102 A112R83-A110 HydrophobicContact CB-CB 4.32Å; R83-A110 HydrophobicContact CG-CB 4.36Å; G102-A110 CarbonylContact C-O 3.55Å; G102-A110 WeakPolarHBondContact CA-O 3.43Å; G102-A110 PolarHBondContact O-N 3.08Å; A110-A112 PolarHBondContact O-N 3.25Å
111A87.4Confident91.1Very high69 Ų6947 Ų4757%0.5727%0.267SS*.PPolyproline II helixtrans-60.3129.4172.600000110.2R83 H84R83-A111 PolarHBondContact NE-O 2.92Å; H84-A111 PolarHBondContact CE1-O 3.41Å; H84-A111 PolarHBondContact NE2-O 2.76Å
112A89.2Confident91Very high22 Ų2244 Ų4418%0.18226%0.259CS..PPolyproline II helixtrans-58.8159.617400000110.7A110A110-A112 PolarHBondContact O-N 3.25Å
113A91.3Very high91.1Very high3 Ų343.8 Ų43.83%0.02526%0.256CS..PPolyproline II helixtrans-66.5159.2167.100000110.9I99 M126 E129I99-A113 HydrophobicContact CG2-CB 3.68Å; I99-A113 PolarHBondContact O-N 3.38Å; A113-M126 HydrophobicContact CB-CE 3.64Å; A113-M126 WeakPolarHBondContact O-CE 3.22Å; A113-E129 WeakPolarHBondContact CB-OE1 3.35Å
114E87.9Confident91.1Very high38 Ų3837 Ų3718%0.17823%0.23CC..PPolyproline II helixtrans-60.4141.5173.8-177.2-175.6152.300110V127 K172E114-V127 HydrophobicContact CB-CB 4.1Å; E114-V127 HydrophobicContact CB-CG2 4.08Å; E114-V127 HydrophobicContact CG-CB 4.46Å; E114-V127 HydrophobicContact CG-CG2 3.92Å; E114-V127 PolarHBondContact O-N 2.74Å; E114-K172 VanDerWaalsContact CD-NZ 3.33Å; E114-K172 IonicContact OE1-NZ 3.68Å; E114-K172 PolarHBondContact OE1-NZ 2.73Å; E114-K172 WeakPolarHBondContact OE2-CD 3.47Å; E114-K172 IonicContact OE2-NZ 2.68Å; E114-K172 PolarHBondContact OE2-NZ 2.69Å; E114-K172 VanDerWaalsContact OE2-NZ 3.1Å
115M88.4Confident91.3Very high22 Ų2237.3 Ų37.311%0.10823%0.23CC..EExtended strand (participates in β ladder)trans-125.3129.1176.8-179.118081.800108.1H124 Y125 M126 Y512M115-H124 HydrophobicContact CE-CB 4.15Å; M115-H124 HydrophobicContact CG-CB 3.49Å; M115-H124 VanDerWaalsContact CG-CB 3.49Å; M115-H124 HydrophobicContact SD-CB 3.87Å; M115-Y125 WeakPolarHBondContact CA-O 3.48Å; M115-M126 HydrophobicContact CB-CE 4.31Å; M115-M126 HydrophobicContact CB-SD 3.94Å; M115-M126 HydrophobicContact CG-SD 4.07Å; M115-M126 HydrophobicContact SD-SD 4.36Å; M115-Y512 HydrophobicContact CE-CD1 3.75Å; M115-Y512 HydrophobicContact CE-CD2 3.71Å; M115-Y512 HydrophobicContact CE-CE1 4.18Å; M115-Y512 HydrophobicContact CE-CE2 4.17Å; M115-Y512 HydrophobicContact CE-CG 3.49Å; M115-Y512 VanDerWaalsContact CE-CG 3.49Å; M115-Y512 WeakPolarHBondContact SD-CB 3.42Å; M115-Y512 HydrophobicContact SD-CD1 4.46Å; M115-Y512 HydrophobicContact SD-CD2 3.71Å; M115-Y512 HydrophobicContact SD-CG 3.63Å
116T89Confident91.4Very high25 Ų2534.4 Ų34.415%0.15321%0.211CC..EExtended strand (participates in β ladder)trans-140166.8-177.6-1650000111.3H124 Y125 V127T116-H124 CarbonylContact O-C 3.58Å; T116-H124 WeakPolarHBondContact O-CA 3.17Å; T116-H124 VanDerWaalsContact O-CB 3.29Å; T116-H124 WeakPolarHBondContact O-CB 3.4Å; T116-Y125 HydrophobicContact CG2-CD1 4.03Å; T116-Y125 HydrophobicContact CG2-CE1 3.26Å; T116-Y125 HydrophobicContact CG2-CE2 4.37Å; T116-Y125 VanDerWaalsContact CG2-CZ 3.45Å; T116-Y125 WeakPolarHBondContact CG2-OH 3.33Å; T116-Y125 PolarHBondContact N-O 2.9Å; T116-Y125 VanDerWaalsContact N-O 3.08Å; T116-Y125 WeakPolarHBondContact O-CD1 3.23Å; T116-Y125 PolarHBondContact O-N 3.01Å; T116-V127 HydrophobicContact CG2-CG2 3.6Å
117K90.2Very high91.6Very high22 Ų2231.1 Ų31.110%0.09619%0.19CC..EExtended strand (participates in β ladder)trans-64.2137.3-176.3-63-76.5176.3168.40110.8F119 T121 N122 H124 Y125 E605K117-F119 PolarHBondContact O-N 3.27Å; K117-T121 VanDerWaalsContact CD-O 3.3Å; K117-T121 WeakPolarHBondContact CD-O 3.3Å; K117-N122 PolarHBondContact NZ-OD1 2.85Å; K117-H124 WeakPolarHBondContact CD-NE2 3.42Å; K117-H124 WeakPolarHBondContact CE-NE2 3.37Å; K117-H124 PolarHBondContact NZ-CE1 3.41Å; K117-H124 VanDerWaalsContact NZ-CE1 3.27Å; K117-H124 PolarHBondContact NZ-NE2 3.49Å; K117-Y125 WeakPolarHBondContact O-CE1 3.31Å; K117-E605 HydrophobicContact CD-CG 4.21Å; K117-E605 VanDerWaalsContact CE-OE2 3.26Å; K117-E605 WeakPolarHBondContact CE-OE2 3.44Å; K117-E605 IonicContact NZ-OE1 2.92Å; K117-E605 IonicContact NZ-OE2 3.57Å; K117-E605 PolarHBondContact NZ-OE2 3.03Å
118W95.3Very high92Very high5 Ų528.7 Ų28.72%0.01917%0.166CC..SBendtrans-7998.3170.2178.6-108.3000108.6H69 V70 N120 T121 Y123 Y125 L162 L170 P211 Y243 F244H69-W118 AromaticContact NE2-CH2 3.67Å; H69-W118 AromaticContact NE2-CZ2 3.73Å; H69-W118 AromaticContact NE2-CZ3 3.91Å; V70-W118 HydrophobicContact CG2-CE3 3.99Å; V70-W118 HydrophobicContact CG2-CH2 4.37Å; V70-W118 HydrophobicContact CG2-CZ3 3.51Å; W118-N120 PolarHBondContact O-N 2.9Å; W118-T121 WeakPolarHBondContact O-CB 3.23Å; W118-T121 VanDerWaalsContact O-CG2 3.28Å; W118-T121 WeakPolarHBondContact O-CG2 3.4Å; W118-T121 PolarHBondContact O-N 3.1Å; W118-T121 VanDerWaalsContact O-N 3.15Å; W118-T121 PolarHBondContact O-OG1 3.06Å; W118-Y123 HydrophobicContact CB-CD1 3.58Å; W118-Y123 HydrophobicContact CB-CE1 4.37Å; W118-Y123 HydrophobicContact CB-CG 4.48Å; W118-Y123 WeakPolarHBondContact CB-O 3.37Å; W118-Y123 AromaticContact CG-CD1 3.96Å; W118-Y123 HydrophobicContact CG-CD1 3.96Å; W118-Y123 PolarHBondContact N-O 2.88Å; W118-Y125 HydrophobicContact CB-CD1 4.3Å; W118-Y125 AromaticContact CE3-CD1 3.83Å; W118-Y125 HydrophobicContact CE3-CD1 3.83Å; W118-Y125 HydrophobicContact CE3-CE1 4.43Å; W118-Y125 HydrophobicContact CE3-CG 4.06Å; W118-L162 HydrophobicContact CH2-CD1 3.79Å; W118-L170 HydrophobicContact CE3-CD1 4.34Å; W118-L170 HydrophobicContact CH2-CD1 4Å; W118-L170 HydrophobicContact CZ3-CD1 3.39Å; W118-P211 HydrophobicContact CH2-CG 4.01Å; W118-P211 HydrophobicContact CZ2-CG 3.81Å; W118-Y243 HydrophobicContact CZ2-CE2 4.11Å; W118-Y243 WeakPolarHBondContact CZ2-OH 3.5Å; W118-F244 AromaticContact CD1-CE2 3.69Å; W118-F244 AromaticContact CD1-CZ 3.89Å; W118-F244 AromaticContact NE1-CE2 3.44Å; W118-F244 AromaticContact NE1-CZ 3.67Å
119F94.7Very high92.5Very high29 Ų2922.3 Ų22.313%0.12714%0.136CC..THydrogen-bonded Turntrans51.8-136.3-174.9-67.5-93.1000110.4K117 T121 P211 L215 F244 L609K117-F119 PolarHBondContact O-N 3.27Å; F119-T121 VanDerWaalsContact C-N 3.27Å; F119-T121 PolarHBondContact O-N 3.3Å; F119-P211 HydrophobicContact CD2-CB 4.48Å; F119-P211 HydrophobicContact CD2-CG 4.5Å; F119-P211 HydrophobicContact CE1-CB 4.14Å; F119-P211 HydrophobicContact CE2-CB 3.71Å; F119-P211 HydrophobicContact CE2-CG 3.46Å; F119-P211 VanDerWaalsContact CE2-CG 3.46Å; F119-P211 HydrophobicContact CZ-CB 3.52Å; F119-P211 HydrophobicContact CZ-CG 3.52Å; F119-L215 HydrophobicContact CD1-CD2 4.09Å; F119-L215 HydrophobicContact CE1-CD1 4.03Å; F119-L215 HydrophobicContact CE1-CD2 3.96Å; F119-L215 HydrophobicContact CE1-CG 4.12Å; F119-F244 HydrophobicContact CB-CD2 3.66Å; F119-F244 HydrophobicContact CB-CE2 3.9Å; F119-F244 HydrophobicContact CD2-CD2 4.29Å; F119-F244 HydrophobicContact CD2-CE2 4.09Å; F119-F244 AromaticContact CG-CD2 3.96Å; F119-F244 HydrophobicContact CG-CD2 3.96Å; F119-F244 HydrophobicContact CG-CE2 4.17Å; F119-L609 HydrophobicContact CB-CD1 4.39Å; F119-L609 HydrophobicContact CB-CD2 3.87Å; F119-L609 HydrophobicContact CD1-CD1 3.97Å; F119-L609 HydrophobicContact CD1-CD2 4.02Å; F119-L609 HydrophobicContact CG-CD2 4.47Å
120N93.4Very high92.9Very high37 Ų3718.3 Ų18.320%0.19811%0.11CC..THydrogen-bonded Turntrans-91.536.3179.165.4-2.6000112.5W118 R294 L607 L609W118-N120 PolarHBondContact O-N 2.9Å; N120-R294 PolarHBondContact O-NH2 3.38Å; N120-R294 PolarHBondContact OD1-NH1 3.15Å; N120-L607 WeakPolarHBondContact CB-O 3.36Å; N120-L609 HydrophobicContact CB-CD2 3.73Å; N120-L609 HydrophobicContact CB-CG 4.42Å
121T93.8Very high93.2Very high1 Ų120.3 Ų20.31%0.00612%0.119CC..SBendtrans-112.4161.2-179.980.30000111.3K117 W118 F119 Y123 F244K117-T121 VanDerWaalsContact CD-O 3.3Å; K117-T121 WeakPolarHBondContact CD-O 3.3Å; W118-T121 WeakPolarHBondContact O-CB 3.23Å; W118-T121 VanDerWaalsContact O-CG2 3.28Å; W118-T121 WeakPolarHBondContact O-CG2 3.4Å; W118-T121 PolarHBondContact O-N 3.1Å; W118-T121 VanDerWaalsContact O-N 3.15Å; W118-T121 PolarHBondContact O-OG1 3.06Å; F119-T121 VanDerWaalsContact C-N 3.27Å; F119-T121 PolarHBondContact O-N 3.3Å; T121-Y123 PolarHBondContact O-N 2.79Å; T121-Y123 WeakPolarHBondContact OG1-CB 3.39Å; T121-Y123 PolarHBondContact OG1-N 3.39Å; T121-Y123 VanDerWaalsContact OG1-N 3.15Å; T121-Y123 PolarHBondContact OG1-O 3.48Å; T121-F244 HydrophobicContact CG2-CD2 4.44Å; T121-F244 HydrophobicContact CG2-CE1 4.08Å; T121-F244 HydrophobicContact CG2-CE2 3.84Å; T121-F244 HydrophobicContact CG2-CZ 3.64Å
122N91.1Very high93.6Very high35 Ų3522.8 Ų22.819%0.18712%0.117CC..SBendtrans-82.44.9170.7-158.33.9000113.6K117 H124 S511 E605K117-N122 PolarHBondContact NZ-OD1 2.85Å; N122-H124 PolarHBondContact O-CE1 2.75Å; N122-H124 PolarHBondContact O-ND1 2.96Å; N122-S511 WeakPolarHBondContact O-CA 3.26Å; N122-S511 PolarHBondContact O-OG 3.25Å; N122-E605 VanDerWaalsContact CA-OE1 3.29Å; N122-E605 WeakPolarHBondContact CA-OE1 3.44Å; N122-E605 WeakPolarHBondContact CB-OE1 3.47Å; N122-E605 PolarHBondContact N-OE1 2.92Å
123Y94.8Very high93.7Very high2 Ų224.5 Ų24.51%0.00814%0.137CC..  trans-81.6143.5169.4178.1-100.2000108.9R12 D68 H69 W118 T121 L326 Q510 S511R12-Y123 PolarHBondContact NH2-OH 3Å; D68-Y123 VanDerWaalsContact CA-OH 3.31Å; D68-Y123 WeakPolarHBondContact CA-OH 3.44Å; D68-Y123 PolarHBondContact OD1-OH 2.81Å; H69-Y123 AromaticContact CE1-CE1 3.68Å; H69-Y123 AromaticContact ND1-CE1 3.65Å; H69-Y123 AromaticContact ND1-CZ 3.93Å; H69-Y123 PolarHBondContact ND1-OH 2.89Å; W118-Y123 HydrophobicContact CB-CD1 3.58Å; W118-Y123 HydrophobicContact CB-CE1 4.37Å; W118-Y123 HydrophobicContact CB-CG 4.48Å; W118-Y123 WeakPolarHBondContact CB-O 3.37Å; W118-Y123 AromaticContact CG-CD1 3.96Å; W118-Y123 HydrophobicContact CG-CD1 3.96Å; W118-Y123 PolarHBondContact N-O 2.88Å; T121-Y123 PolarHBondContact O-N 2.79Å; T121-Y123 WeakPolarHBondContact OG1-CB 3.39Å; T121-Y123 PolarHBondContact OG1-N 3.39Å; T121-Y123 VanDerWaalsContact OG1-N 3.15Å; T121-Y123 PolarHBondContact OG1-O 3.48Å; Y123-L326 HydrophobicContact CD1-CD2 4.31Å; Y123-L326 HydrophobicContact CD2-CD2 3.95Å; Y123-L326 HydrophobicContact CE1-CD2 4.35Å; Y123-L326 HydrophobicContact CE2-CD2 3.93Å; Y123-L326 HydrophobicContact CG-CD2 4.14Å; Y123-Q510 HydrophobicContact CD2-CG 4.39Å; Y123-Q510 HydrophobicContact CE2-CG 4.23Å; Y123-S511 CarbonylContact C-O 3.54Å; Y123-S511 VanDerWaalsContact CA-O 3.28Å; Y123-S511 WeakPolarHBondContact CA-O 3.44Å
124H93.5Very high93.8Very high7 Ų725.5 Ų25.53%0.03214%0.141CC..EExtended strand (participates in β ladder)trans-119.4143.6177.5-49.365.4000110.6M115 T116 K117 N122 S511M115-H124 HydrophobicContact CE-CB 4.15Å; M115-H124 HydrophobicContact CG-CB 3.49Å; M115-H124 VanDerWaalsContact CG-CB 3.49Å; M115-H124 HydrophobicContact SD-CB 3.87Å; T116-H124 CarbonylContact O-C 3.58Å; T116-H124 WeakPolarHBondContact O-CA 3.17Å; T116-H124 VanDerWaalsContact O-CB 3.29Å; T116-H124 WeakPolarHBondContact O-CB 3.4Å; K117-H124 WeakPolarHBondContact CD-NE2 3.42Å; K117-H124 WeakPolarHBondContact CE-NE2 3.37Å; K117-H124 PolarHBondContact NZ-CE1 3.41Å; K117-H124 VanDerWaalsContact NZ-CE1 3.27Å; K117-H124 PolarHBondContact NZ-NE2 3.49Å; N122-H124 PolarHBondContact O-CE1 2.75Å; N122-H124 PolarHBondContact O-ND1 2.96Å; H124-S511 PolarHBondContact CE1-OG 2.82Å; H124-S511 PolarHBondContact N-O 2.65Å; H124-S511 PolarHBondContact ND1-O 3.09Å; H124-S511 PolarHBondContact ND1-OG 3.07Å
125Y96.6Very high94.1Very high15 Ų1531 Ų316%0.05917%0.167CC..EExtended strand (participates in β ladder)trans-114.1161.4175.178.5-83.5000111D68 V70 M115 T116 K117 W118 V127 L170D68-Y125 WeakPolarHBondContact OD2-CA 3.44Å; V70-Y125 HydrophobicContact CB-CD2 3.77Å; V70-Y125 HydrophobicContact CB-CG 4.27Å; V70-Y125 HydrophobicContact CG1-CD2 3.73Å; V70-Y125 HydrophobicContact CG1-CE2 4.28Å; V70-Y125 HydrophobicContact CG2-CD2 3.69Å; V70-Y125 HydrophobicContact CG2-CG 3.81Å; M115-Y125 WeakPolarHBondContact CA-O 3.48Å; T116-Y125 HydrophobicContact CG2-CD1 4.03Å; T116-Y125 HydrophobicContact CG2-CE1 3.26Å; T116-Y125 HydrophobicContact CG2-CE2 4.37Å; T116-Y125 VanDerWaalsContact CG2-CZ 3.45Å; T116-Y125 WeakPolarHBondContact CG2-OH 3.33Å; T116-Y125 PolarHBondContact N-O 2.9Å; T116-Y125 VanDerWaalsContact N-O 3.08Å; T116-Y125 WeakPolarHBondContact O-CD1 3.23Å; T116-Y125 PolarHBondContact O-N 3.01Å; K117-Y125 WeakPolarHBondContact O-CE1 3.31Å; W118-Y125 HydrophobicContact CB-CD1 4.3Å; W118-Y125 AromaticContact CE3-CD1 3.83Å; W118-Y125 HydrophobicContact CE3-CD1 3.83Å; W118-Y125 HydrophobicContact CE3-CE1 4.43Å; W118-Y125 HydrophobicContact CE3-CG 4.06Å; Y125-V127 HydrophobicContact CE2-CB 4.49Å; Y125-V127 HydrophobicContact CE2-CG2 4.1Å; Y125-L170 HydrophobicContact CE1-CD2 4.11Å; Y125-L170 HydrophobicContact CE2-CB 3.83Å; Y125-L170 HydrophobicContact CE2-CD2 4.43Å; Y125-L170 HydrophobicContact CE2-CG 4.5Å; Y125-L170 WeakPolarHBondContact OH-CD2 3.43Å; Y125-L170 PolarHBondContact OH-O 3.39Å
126M95.5Very high94.5Very high3 Ų331.2 Ų31.22%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-88122174.2-58.2-56.5-5400109.6Y67 D68 L71 A113 M115 P128Y67-M126 HydrophobicContact CD1-CG 4.42Å; Y67-M126 HydrophobicContact CD1-SD 4.42Å; Y67-M126 HydrophobicContact CE1-SD 4.03Å; D68-M126 HydrophobicContact CB-CG 4.15Å; D68-M126 PolarHBondContact OD2-N 2.64Å; L71-M126 HydrophobicContact CB-CB 4.1Å; L71-M126 HydrophobicContact CB-CG 4.14Å; L71-M126 HydrophobicContact CD2-CG 4.12Å; A113-M126 HydrophobicContact CB-CE 3.64Å; A113-M126 WeakPolarHBondContact O-CE 3.22Å; M115-M126 HydrophobicContact CB-CE 4.31Å; M115-M126 HydrophobicContact CB-SD 3.94Å; M115-M126 HydrophobicContact CG-SD 4.07Å; M115-M126 HydrophobicContact SD-SD 4.36Å; M126-P128 VanDerWaalsContact O-CD 3.3Å; M126-P128 WeakPolarHBondContact O-CD 3.44Å
127V96.6Very high94.9Very high6 Ų636.4 Ų36.44%0.03619%0.187CC..PPolyproline II helixtrans-66.5120.8-177.3178.80000109.8E114 T116 Y125 K172E114-V127 HydrophobicContact CB-CB 4.1Å; E114-V127 HydrophobicContact CB-CG2 4.08Å; E114-V127 HydrophobicContact CG-CB 4.46Å; E114-V127 HydrophobicContact CG-CG2 3.92Å; E114-V127 PolarHBondContact O-N 2.74Å; T116-V127 HydrophobicContact CG2-CG2 3.6Å; Y125-V127 HydrophobicContact CE2-CB 4.49Å; Y125-V127 HydrophobicContact CE2-CG2 4.1Å; V127-K172 HydrophobicContact CG1-CB 4.05Å; V127-K172 HydrophobicContact CG1-CD 4.12Å; V127-K172 HydrophobicContact CG1-CG 3.83Å
128P98.1Very high95.3Very high2 Ų236.7 Ų36.71%0.01319%0.19CC..PPolyproline II helixtrans-58.1138172.1-23.231.8000111.5V70 M126 F130 W167 G171 K172V70-P128 HydrophobicContact CG1-CG 3.85Å; M126-P128 VanDerWaalsContact O-CD 3.3Å; M126-P128 WeakPolarHBondContact O-CD 3.44Å; P128-F130 HydrophobicContact CB-CD1 4.39Å; P128-F130 HydrophobicContact CB-CE1 3.43Å; P128-F130 VanDerWaalsContact CB-CE1 3.43Å; P128-F130 HydrophobicContact CB-CZ 3.63Å; P128-F130 HydrophobicContact CG-CZ 4.48Å; P128-W167 HydrophobicContact CB-CZ2 3.92Å; P128-W167 HydrophobicContact CG-CZ2 4.41Å; P128-G171 CarbonylContact O-C 3.53Å; P128-G171 WeakPolarHBondContact O-CA 3.3Å; P128-K172 PolarHBondContact O-N 2.9Å
129E97.5Very high95.4Very high15 Ų1538.3 Ų38.37%0.0720%0.2CC..EExtended strand (participates in β ladder)trans-111.5120.4-179-69-179.7-156.900110.4N79 P81 R83 A113 K174N79-E129 PolarHBondContact ND2-O 2.88Å; N79-E129 PolarHBondContact OD1-N 2.97Å; P81-E129 HydrophobicContact CG-CB 4.24Å; P81-E129 HydrophobicContact CG-CG 4.43Å; R83-E129 IonicContact CZ-OE1 2.73Å; R83-E129 IonicContact CZ-OE2 3.86Å; R83-E129 IonicContact NH1-OE1 3.24Å; R83-E129 IonicContact NH1-OE2 3.9Å; R83-E129 PolarHBondContact NH1-OE2 3.28Å; R83-E129 IonicContact NH2-OE1 2.93Å; R83-E129 PolarHBondContact NH2-OE1 3.47Å; R83-E129 IonicContact NH2-OE2 3.4Å; R83-E129 PolarHBondContact NH2-OE2 3.35Å; A113-E129 WeakPolarHBondContact CB-OE1 3.35Å; E129-K174 HydrophobicContact CB-CG 3.94Å; E129-K174 HydrophobicContact CG-CG 4.02Å
130F97.8Very high95.5Very high0 Ų038.3 Ų38.30%020%0.199CC..EExtended strand (participates in β ladder)trans-109.3138.8-173.9-50-39.3000112.1P128 W167 L168 G171 K172 V173 K174 F178 R180 L183P128-F130 HydrophobicContact CB-CD1 4.39Å; P128-F130 HydrophobicContact CB-CE1 3.43Å; P128-F130 VanDerWaalsContact CB-CE1 3.43Å; P128-F130 HydrophobicContact CB-CZ 3.63Å; P128-F130 HydrophobicContact CG-CZ 4.48Å; F130-W167 HydrophobicContact CD1-CH2 4.13Å; F130-W167 HydrophobicContact CE1-CE3 4.27Å; F130-W167 AromaticContact CE1-CH2 3.28Å; F130-W167 HydrophobicContact CE1-CH2 3.28Å; F130-W167 AromaticContact CE1-CZ2 3.69Å; F130-W167 HydrophobicContact CE1-CZ2 3.69Å; F130-W167 AromaticContact CE1-CZ3 3.58Å; F130-W167 HydrophobicContact CE1-CZ3 3.58Å; F130-W167 HydrophobicContact CZ-CE3 4.15Å; F130-W167 AromaticContact CZ-CH2 3.99Å; F130-W167 HydrophobicContact CZ-CH2 3.99Å; F130-W167 HydrophobicContact CZ-CZ2 4.35Å; F130-W167 AromaticContact CZ-CZ3 3.85Å; F130-W167 HydrophobicContact CZ-CZ3 3.85Å; F130-L168 HydrophobicContact CE2-CD2 4.11Å; F130-L168 HydrophobicContact CZ-CD2 3.99Å; F130-G171 VanDerWaalsContact CE2-CA 3.49Å; F130-K172 PolarHBondContact N-O 2.96Å; F130-V173 CarbonylContact O-C 3.57Å; F130-V173 WeakPolarHBondContact O-CA 3.18Å; F130-K174 PolarHBondContact O-N 3.04Å; F130-F178 HydrophobicContact CB-CE1 4.4Å; F130-F178 HydrophobicContact CB-CZ 3.75Å; F130-R180 HydrophobicContact CD2-CB 4.32Å; F130-R180 HydrophobicContact CD2-CG 3.91Å; F130-R180 HydrophobicContact CE2-CB 4.43Å; F130-R180 HydrophobicContact CE2-CG 4.29Å; F130-L183 HydrophobicContact CB-CD1 3.86Å; F130-L183 HydrophobicContact CD1-CD1 4.19Å; F130-L183 HydrophobicContact CD2-CD1 4.18Å; F130-L183 HydrophobicContact CG-CD1 3.83Å
131V96.4Very high95.7Very high68 Ų6839.5 Ų39.541%0.41221%0.208SC..  trans-124.5151.1172.5-61.20000110G133 Q134 K174 F178V131-G133 PolarHBondContact O-N 2.91Å; V131-Q134 HydrophobicContact CG2-CB 3.93Å; V131-Q134 HydrophobicContact CG2-CG 4.33Å; V131-Q134 VanDerWaalsContact O-CB 3.23Å; V131-Q134 WeakPolarHBondContact O-CB 3.06Å; V131-Q134 PolarHBondContact O-N 3.36Å; V131-K174 HydrophobicContact CG1-CB 4.4Å; V131-F178 VanDerWaalsContact C-CE1 3.4Å
132K94.4Very high95.9Very high122 Ų12240.1 Ų40.153%0.5321%0.211SC..THydrogen-bonded Turntrans-61.9133.1-179.2-170.5174.2179.5172.70110.9Q134 E176 F178K132-Q134 VanDerWaalsContact C-N 3.28Å; K132-Q134 PolarHBondContact O-N 3.13Å; K132-E176 HydrophobicContact CD-CG 4.4Å; K132-E176 WeakPolarHBondContact CD-OE1 3.42Å; K132-E176 WeakPolarHBondContact CD-OE2 2.94Å; K132-E176 IonicContact NZ-OE1 3.97Å; K132-E176 PolarHBondContact NZ-OE1 3.14Å; K132-E176 IonicContact NZ-OE2 2.68Å; K132-F178 HydrophobicContact CB-CD1 3.95Å; K132-F178 HydrophobicContact CB-CE1 4.24Å; K132-F178 HydrophobicContact CB-CG 4.38Å; K132-F178 VanDerWaalsContact N-CE1 3.29Å
133G90.7Very high96.2Very high58 Ų5839 Ų3960%0.59821%0.205SC*.THydrogen-bonded Turntrans74.214-179.800000114.9V131 Q135V131-G133 PolarHBondContact O-N 2.91Å; G133-Q135 PolarHBondContact O-NE2 3.46Å
134Q94Very high96.4Very high23 Ų2339.5 Ų39.511%0.10721%0.207CC..  trans-56.2139.7176.7-173.2161.818.200111.8N79 V131 K132 F136N79-Q134 PolarHBondContact ND2-NE2 3.31Å; N79-Q134 PolarHBondContact ND2-OE1 3.35Å; V131-Q134 HydrophobicContact CG2-CB 3.93Å; V131-Q134 HydrophobicContact CG2-CG 4.33Å; V131-Q134 VanDerWaalsContact O-CB 3.23Å; V131-Q134 WeakPolarHBondContact O-CB 3.06Å; V131-Q134 PolarHBondContact O-N 3.36Å; K132-Q134 VanDerWaalsContact C-N 3.28Å; K132-Q134 PolarHBondContact O-N 3.13Å; Q134-F136 HydrophobicContact CB-CE2 4.39Å; Q134-F136 HydrophobicContact CB-CZ 4.13Å; Q134-F136 HydrophobicContact CG-CE1 4.05Å; Q134-F136 HydrophobicContact CG-CE2 4.42Å; Q134-F136 HydrophobicContact CG-CZ 3.89Å
135Q94.5Very high96.7Very high155 Ų15542.9 Ų42.972%0.72423%0.226SC*.  trans-102.7139.8178.7-60.7-63.7-60.500109.8G133G133-Q135 PolarHBondContact O-NE2 3.46Å
136F97.6Very high96.8Very high25 Ų2542.3 Ų42.311%0.1122%0.224CC..  trans-116.3140.5-179.7-57.4-80000111.2L77 N79 Q134 W167 L183 D186 I187 V190L77-F136 HydrophobicContact CB-CD1 4.16Å; L77-F136 WeakPolarHBondContact O-CA 3.32Å; L77-F136 WeakPolarHBondContact O-CB 3.49Å; L77-F136 WeakPolarHBondContact O-CD1 3.01Å; N79-F136 HydrophobicContact CB-CE1 4.38Å; Q134-F136 HydrophobicContact CB-CE2 4.39Å; Q134-F136 HydrophobicContact CB-CZ 4.13Å; Q134-F136 HydrophobicContact CG-CE1 4.05Å; Q134-F136 HydrophobicContact CG-CE2 4.42Å; Q134-F136 HydrophobicContact CG-CZ 3.89Å; F136-W167 AromaticContact CE1-CH2 3.87Å; F136-W167 HydrophobicContact CE1-CH2 3.87Å; F136-W167 HydrophobicContact CE1-CZ3 4.41Å; F136-L183 HydrophobicContact CE2-CB 4.22Å; F136-L183 HydrophobicContact CE2-CD2 4.09Å; F136-L183 HydrophobicContact CZ-CB 4.45Å; F136-L183 HydrophobicContact CZ-CD1 4.18Å; F136-L183 HydrophobicContact CZ-CD2 4.38Å; F136-D186 HydrophobicContact CD2-CB 3.66Å; F136-D186 HydrophobicContact CE2-CB 3.99Å; F136-I187 HydrophobicContact CB-CG2 4.35Å; F136-I187 HydrophobicContact CD1-CG2 3.82Å; F136-I187 HydrophobicContact CD2-CG2 3.61Å; F136-I187 HydrophobicContact CE1-CG2 3.96Å; F136-I187 HydrophobicContact CE2-CG2 3.76Å; F136-I187 HydrophobicContact CG-CG2 3.64Å; F136-I187 HydrophobicContact CZ-CG2 3.93Å; F136-V190 HydrophobicContact CB-CG2 4.1Å
137K96.9Very high96.9Very high134 Ų13442.1 Ų42.158%0.58322%0.223SC*.  trans-157.9152.7177.353.6168.7-173.7-176.20109.7L77 G78 T139L77-K137 CarbonylContact C-O 3.16Å; L77-K137 PolarHBondContact O-N 3.21Å; G78-K137 PolarHBondContact N-O 2.53Å; K137-T139 HydrophobicContact CD-CG2 4.14Å; K137-T139 HydrophobicContact CG-CG2 3.95Å; K137-T139 PolarHBondContact O-N 3.44Å
138L97.8Very high97Very high29 Ų2944.8 Ų44.815%0.15224%0.237CC..  trans-64.3107175.4-176.959.3000110.7L76 V190 R193 V194L76-L138 HydrophobicContact CD2-CD1 4.37Å; L76-L138 HydrophobicContact CG-CD1 3.84Å; L76-L138 VanDerWaalsContact O-CA 3.3Å; L76-L138 WeakPolarHBondContact O-CA 3.46Å; L138-V190 HydrophobicContact CB-CG1 4.08Å; L138-V190 HydrophobicContact CD1-CG1 4.47Å; L138-R193 HydrophobicContact CD2-CG 4.48Å; L138-V194 HydrophobicContact CD1-CG2 3.8Å; L138-V194 HydrophobicContact CD2-CG2 4.32Å
139T97.4Very high97Very high38 Ų3846.2 Ų46.223%0.23324%0.244CC..  trans-118.8-16.4179.244.30000115.1L75 L76 G78 V91 K137L75-T139 PolarHBondContact O-OG1 3.42Å; L76-T139 PolarHBondContact O-N 2.76Å; G78-T139 WeakPolarHBondContact CA-OG1 3.42Å; G78-T139 PolarHBondContact N-OG1 3.29Å; V91-T139 HydrophobicContact CG2-CG2 4.35Å; K137-T139 HydrophobicContact CD-CG2 4.14Å; K137-T139 HydrophobicContact CG-CG2 3.95Å; K137-T139 PolarHBondContact O-N 3.44Å
140W97.3Very high97.1Very high29 Ų2945.5 Ų45.511%0.1124%0.24CC..  trans-125.6114-179.9-166.3-107.9000110L75 L76 V91 I93 L96 Q142L75-W140 HydrophobicContact CB-CB 3.7Å; L75-W140 HydrophobicContact CB-CD2 4.23Å; L75-W140 HydrophobicContact CB-CG 3.82Å; L75-W140 HydrophobicContact CD1-CD2 4.24Å; L75-W140 HydrophobicContact CD1-CE3 4.39Å; L75-W140 VanDerWaalsContact O-CB 3.27Å; L75-W140 WeakPolarHBondContact O-CB 3.46Å; L75-W140 PolarHBondContact O-N 3.24Å; L76-W140 HydrophobicContact CB-CB 4.47Å; V91-W140 HydrophobicContact CG1-CE3 3.97Å; V91-W140 HydrophobicContact CG1-CZ3 4.41Å; I93-W140 HydrophobicContact CB-CH2 4.36Å; L96-W140 HydrophobicContact CD1-CZ2 4.01Å; W140-Q142 VanDerWaalsContact NE1-CB 3.27Å
141T97.4Very high97.1Very high63 Ų6348.6 Ų48.639%0.38726%0.256SS..  trans-100.28.6-171.954.90000114L143 L144 D145T141-L143 PolarHBondContact O-N 2.9Å; T141-L144 WeakPolarHBondContact O-CA 3.46Å; T141-L144 WeakPolarHBondContact O-CB 3.35Å; T141-L144 PolarHBondContact O-N 3.36Å; T141-D145 PolarHBondContact O-N 2.93Å; T141-D145 PolarHBondContact OG1-OD2 3.03Å
142Q97.9Very high97.2Very high14 Ų1449.6 Ų49.67%0.06527%0.272CS..Hα-helixtrans-47.4-43.9-174.7-178.9-167.9-33.600112.9F64 W140 L144 D145 E146F64-Q142 PolarHBondContact O-NE2 2.84Å; W140-Q142 VanDerWaalsContact NE1-CB 3.27Å; Q142-L144 VanDerWaalsContact C-N 3.34Å; Q142-L144 PolarHBondContact O-N 3.27Å; Q142-D145 PolarHBondContact O-N 2.89Å; Q142-E146 HydrophobicContact CG-CG 4.17Å; Q142-E146 VanDerWaalsContact CG-OE1 3.29Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.42Å; Q142-E146 PolarHBondContact NE2-OE1 3.11Å; Q142-E146 WeakPolarHBondContact O-CB 3.19Å; Q142-E146 WeakPolarHBondContact O-CG 3.31Å; Q142-E146 PolarHBondContact O-N 2.98Å
143L98.5Very high97.4Very high11 Ų1148.3 Ų48.36%0.05827%0.27CS..Hα-helixtrans-57.8-45178.1178.463.5000112.5T141 E146 V147 P159 L161 V194 L198T141-L143 PolarHBondContact O-N 2.9Å; L143-E146 PolarHBondContact O-N 2.85Å; L143-V147 VanDerWaalsContact O-CG2 3.27Å; L143-V147 WeakPolarHBondContact O-CG2 3.48Å; L143-V147 PolarHBondContact O-N 2.66Å; L143-P159 HydrophobicContact CD1-CB 4.19Å; L143-L161 HydrophobicContact CD2-CD1 3.53Å; L143-L161 HydrophobicContact CD2-CG 3.78Å; L143-V194 HydrophobicContact CD2-CG1 4.09Å; L143-L198 HydrophobicContact CD2-CD1 4.31Å
144L98.6Very high97.7Very high12 Ų1248.2 Ų48.26%0.06327%0.269CS..Hα-helixtrans-67.4-42.9-179.5-57.5-179.8000110.5T141 Q142 E146 V147 D148 V194 E197 L198T141-L144 WeakPolarHBondContact O-CA 3.46Å; T141-L144 WeakPolarHBondContact O-CB 3.35Å; T141-L144 PolarHBondContact O-N 3.36Å; Q142-L144 VanDerWaalsContact C-N 3.34Å; Q142-L144 PolarHBondContact O-N 3.27Å; L144-E146 VanDerWaalsContact C-N 3.33Å; L144-E146 PolarHBondContact O-N 3.24Å; L144-V147 PolarHBondContact O-N 3.4Å; L144-D148 VanDerWaalsContact O-CG 3.29Å; L144-D148 PolarHBondContact O-N 3.31Å; L144-V194 HydrophobicContact CD2-CG1 4.49Å; L144-E197 HydrophobicContact CD1-CB 3.99Å; L144-E197 HydrophobicContact CD1-CG 4.26Å; L144-E197 HydrophobicContact CD2-CB 3.87Å; L144-L198 HydrophobicContact CD2-CD2 3.77Å; L144-L198 HydrophobicContact CD2-CG 4.11Å
145D98.3Very high97.9Very high79 Ų7948 Ų4842%0.42227%0.268SS..Hα-helixtrans-62.3-41.7178.1-58.4-39.3000111.2T141 Q142 D148 E149T141-D145 PolarHBondContact O-N 2.93Å; T141-D145 PolarHBondContact OG1-OD2 3.03Å; Q142-D145 PolarHBondContact O-N 2.89Å; D145-D148 PolarHBondContact O-N 3.39Å; D145-E149 WeakPolarHBondContact O-CG 3.11Å; D145-E149 PolarHBondContact O-N 2.78Å
146E98.7Very high98.1Very high2 Ų246.3 Ų46.31%0.00926%0.258CS..Hα-helixtrans-69.6-35.2177.6-70-178.5176.200112.8R44 W48 V61 F64 Q142 L143 L144 E149 A150R44-E146 VanDerWaalsContact CD-CD 3.43Å; R44-E146 WeakPolarHBondContact CD-OE1 3.4Å; R44-E146 IonicContact CZ-OE1 3.95Å; R44-E146 IonicContact NE-OE1 2.72Å; R44-E146 IonicContact NH1-OE1 3.42Å; R44-E146 PolarHBondContact NH1-OE1 2.94Å; W48-E146 HydrophobicContact CH2-CB 4.46Å; W48-E146 WeakPolarHBondContact CH2-O 3.42Å; V61-E146 HydrophobicContact CG1-CB 3.72Å; F64-E146 WeakPolarHBondContact CD1-OE1 3.28Å; Q142-E146 HydrophobicContact CG-CG 4.17Å; Q142-E146 VanDerWaalsContact CG-OE1 3.29Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.42Å; Q142-E146 PolarHBondContact NE2-OE1 3.11Å; Q142-E146 WeakPolarHBondContact O-CB 3.19Å; Q142-E146 WeakPolarHBondContact O-CG 3.31Å; Q142-E146 PolarHBondContact O-N 2.98Å; L143-E146 PolarHBondContact O-N 2.85Å; L144-E146 VanDerWaalsContact C-N 3.33Å; L144-E146 PolarHBondContact O-N 3.24Å; E146-E149 PolarHBondContact O-N 3.3Å; E146-A150 WeakPolarHBondContact O-CB 3.49Å; E146-A150 PolarHBondContact O-N 3.17Å
147V98.8Very high98.1Very high0 Ų045.7 Ų45.70%026%0.257CS..Hα-helixtrans-64.1-46172.3167.90000110.4V61 L143 L144 E149 A150 L151 P159 L198 R201 I203V61-V147 HydrophobicContact CB-CG2 4.22Å; V61-V147 HydrophobicContact CG1-CB 4.4Å; V61-V147 HydrophobicContact CG1-CG2 3.61Å; L143-V147 VanDerWaalsContact O-CG2 3.27Å; L143-V147 WeakPolarHBondContact O-CG2 3.48Å; L143-V147 PolarHBondContact O-N 2.66Å; L144-V147 PolarHBondContact O-N 3.4Å; V147-E149 VanDerWaalsContact C-N 3.31Å; V147-E149 PolarHBondContact O-N 3.46Å; V147-A150 PolarHBondContact O-N 3.28Å; V147-L151 HydrophobicContact CG1-CD1 3.69Å; V147-L151 HydrophobicContact CG1-CG 4.18Å; V147-L151 WeakPolarHBondContact O-CB 3.16Å; V147-L151 VanDerWaalsContact O-CG 3.26Å; V147-L151 WeakPolarHBondContact O-CG 3.4Å; V147-L151 PolarHBondContact O-N 3.32Å; V147-P159 HydrophobicContact CG2-CB 4.33Å; V147-P159 HydrophobicContact CG2-CG 3.76Å; V147-L198 HydrophobicContact CB-CD2 4.45Å; V147-L198 HydrophobicContact CG1-CD2 4.43Å; V147-L198 HydrophobicContact CG2-CD2 3.9Å; V147-R201 HydrophobicContact CG1-CB 4.46Å; V147-I203 HydrophobicContact CG1-CD1 3.92Å; V147-I203 HydrophobicContact CG1-CG1 4.15Å
148D98.7Very high98.1Very high62 Ų6239.3 Ų39.333%0.33223%0.229SC..Hα-helixtrans-61.6-40.7178-68.9-24.9000111.1L144 D145 A152 R201L144-D148 VanDerWaalsContact O-CG 3.29Å; L144-D148 PolarHBondContact O-N 3.31Å; D145-D148 PolarHBondContact O-N 3.39Å; D148-A152 VanDerWaalsContact O-CB 3.28Å; D148-A152 WeakPolarHBondContact O-CB 3.48Å; D148-A152 PolarHBondContact O-N 3.32Å; D148-R201 VanDerWaalsContact CG-NE 3.32Å; D148-R201 VanDerWaalsContact OD1-CD 3.24Å; D148-R201 WeakPolarHBondContact OD1-CD 3.13Å; D148-R201 IonicContact OD1-CZ 3.71Å; D148-R201 IonicContact OD1-NE 2.75Å; D148-R201 PolarHBondContact OD1-NE 3.2Å; D148-R201 IonicContact OD1-NH2 3.85Å; D148-R201 IonicContact OD2-CZ 3.51Å; D148-R201 IonicContact OD2-NE 3.19Å; D148-R201 PolarHBondContact OD2-NE 3.3Å; D148-R201 IonicContact OD2-NH2 2.91Å; D148-R201 PolarHBondContact OD2-NH2 3.31Å
149E98.6Very high98.2Very high32 Ų3238 Ų3815%0.1522%0.222CC..Hα-helixtrans-59.8-49.8173.1-75.5177.6-177.100112.5R41 R44 W48 D145 E146 V147 A152 L153R41-E149 IonicContact CZ-OE1 2.61Å; R41-E149 IonicContact NE-OE1 2.73Å; R41-E149 PolarHBondContact NE-OE1 2.6Å; R41-E149 IonicContact NH1-OE1 2.65Å; R41-E149 IonicContact NH2-OE1 2.69Å; R41-E149 PolarHBondContact NH2-OE1 3.3Å; R44-E149 IonicContact CZ-OE2 3.71Å; R44-E149 VanDerWaalsContact CZ-OE2 3.26Å; R44-E149 IonicContact NE-OE2 2.96Å; R44-E149 PolarHBondContact NE-OE2 2.98Å; R44-E149 VanDerWaalsContact NH2-CD 3.29Å; R44-E149 IonicContact NH2-OE1 3.42Å; R44-E149 PolarHBondContact NH2-OE1 2.8Å; R44-E149 IonicContact NH2-OE2 3.36Å; R44-E149 PolarHBondContact NH2-OE2 3.29Å; W48-E149 HydrophobicContact CH2-CB 4.27Å; W48-E149 HydrophobicContact CZ3-CB 4.21Å; D145-E149 WeakPolarHBondContact O-CG 3.11Å; D145-E149 PolarHBondContact O-N 2.78Å; E146-E149 PolarHBondContact O-N 3.3Å; V147-E149 VanDerWaalsContact C-N 3.31Å; V147-E149 PolarHBondContact O-N 3.46Å; E149-A152 PolarHBondContact O-N 3.47Å; E149-L153 WeakPolarHBondContact O-CG 3.12Å; E149-L153 PolarHBondContact O-N 3.27Å
150A98.7Very high98.2Very high0 Ų037 Ų370%022%0.216CC..Hα-helixtrans-69-38.3-176.400000112.6W48 V61 E146 V147 L153 G154 H155 V157W48-A150 HydrophobicContact CD2-CB 4.07Å; W48-A150 HydrophobicContact CE3-CB 3.88Å; W48-A150 HydrophobicContact CH2-CB 3.77Å; W48-A150 HydrophobicContact CZ2-CB 3.95Å; W48-A150 HydrophobicContact CZ3-CB 3.74Å; V61-A150 HydrophobicContact CG2-CB 3.85Å; E146-A150 WeakPolarHBondContact O-CB 3.49Å; E146-A150 PolarHBondContact O-N 3.17Å; V147-A150 PolarHBondContact O-N 3.28Å; A150-L153 PolarHBondContact O-N 3.15Å; A150-G154 PolarHBondContact O-N 3.44Å; A150-H155 WeakPolarHBondContact O-CB 3.34Å; A150-H155 PolarHBondContact O-CD2 3.22Å; A150-H155 PolarHBondContact O-N 3.37Å; A150-H155 VanDerWaalsContact O-N 3.15Å; A150-V157 HydrophobicContact CB-CG1 3.7Å
151L98.5Very high98.3Very high64 Ų6436 Ų3634%0.33521%0.213SC..Hα-helixtrans-65.1-40.3174.6-70175.7000111.4V147 L153 G154 V157 R201 I203V147-L151 HydrophobicContact CG1-CD1 3.69Å; V147-L151 HydrophobicContact CG1-CG 4.18Å; V147-L151 WeakPolarHBondContact O-CB 3.16Å; V147-L151 VanDerWaalsContact O-CG 3.26Å; V147-L151 WeakPolarHBondContact O-CG 3.4Å; V147-L151 PolarHBondContact O-N 3.32Å; L151-L153 PolarHBondContact O-N 3.31Å; L151-G154 WeakPolarHBondContact O-CA 3.49Å; L151-G154 PolarHBondContact O-N 3.14Å; L151-V157 HydrophobicContact CD2-CG2 3.91Å; L151-V157 HydrophobicContact CG-CG2 4.31Å; L151-R201 HydrophobicContact CD1-CB 4.06Å; L151-I203 HydrophobicContact CD1-CD1 4.46Å
152A98.4Very high98.4Very high89 Ų8933.4 Ų33.474%0.73620%0.196SC*.Hα-helixtrans-63-27.9176.300000113D148 E149 G154D148-A152 VanDerWaalsContact O-CB 3.28Å; D148-A152 WeakPolarHBondContact O-CB 3.48Å; D148-A152 PolarHBondContact O-N 3.32Å; E149-A152 PolarHBondContact O-N 3.47Å; A152-G154 VanDerWaalsContact C-N 3.26Å
153L98.3Very high98.4Very high96 Ų9632.7 Ų32.750%0.50319%0.193SC..THydrogen-bonded Turntrans-81.6-0.3172.7-66.9171.9000113.4A45 W48 E149 A150 L151 H155A45-L153 HydrophobicContact CB-CD1 3.81Å; W48-L153 HydrophobicContact CE3-CD1 4.14Å; W48-L153 HydrophobicContact CZ3-CD1 4.33Å; E149-L153 WeakPolarHBondContact O-CG 3.12Å; E149-L153 PolarHBondContact O-N 3.27Å; A150-L153 PolarHBondContact O-N 3.15Å; L151-L153 PolarHBondContact O-N 3.31Å; L153-H155 VanDerWaalsContact CB-CD2 3.48Å; L153-H155 WeakPolarHBondContact CB-CD2 3.38Å
154G97.6Very high98.4Very high56 Ų5632.2 Ų32.258%0.57719%0.19SC*.THydrogen-bonded Turntrans76.625.4177.700000114A150 L151 A152A150-G154 PolarHBondContact O-N 3.44Å; L151-G154 WeakPolarHBondContact O-CA 3.49Å; L151-G154 PolarHBondContact O-N 3.14Å; A152-G154 VanDerWaalsContact C-N 3.26Å
155H98Very high98.4Very high17 Ų1731.7 Ų31.78%0.07919%0.188CC..  trans-85.3144.9175.9-64-64.1000112.1L59 A150 L153 V157L59-H155 HydrophobicContact CD1-CB 3.94Å; A150-H155 WeakPolarHBondContact O-CB 3.34Å; A150-H155 PolarHBondContact O-CD2 3.22Å; A150-H155 PolarHBondContact O-N 3.37Å; A150-H155 VanDerWaalsContact O-N 3.15Å; L153-H155 VanDerWaalsContact CB-CD2 3.48Å; L153-H155 WeakPolarHBondContact CB-CD2 3.38Å; H155-V157 HydrophobicContact CB-CG1 3.81Å
156K97.2Very high98.5Very high121 Ų12127.9 Ų27.953%0.52617%0.168SC..  trans-86.4120.6164.8-169.9-176.8-178.8-177.30108.2L58 L59L58-K156 HydrophobicContact CD1-CD 4.29Å; L58-K156 HydrophobicContact CD1-CG 3.91Å; L59-K156 PolarHBondContact N-O 2.89Å
157V98Very high98.5Very high12 Ų1227.8 Ų27.87%0.07317%0.167CC..EExtended strand (participates in β ladder)trans-127.9154.4-167-59.50000113.1L59 V61 A150 L151 H155 I203L59-V157 HydrophobicContact CB-CG1 4.44Å; L59-V157 CarbonylContact O-C 3.55Å; L59-V157 VanDerWaalsContact O-CA 3.3Å; L59-V157 WeakPolarHBondContact O-CA 3.3Å; V61-V157 HydrophobicContact CG2-CB 3.63Å; V61-V157 HydrophobicContact CG2-CG1 3.59Å; V61-V157 HydrophobicContact CG2-CG2 4.31Å; A150-V157 HydrophobicContact CB-CG1 3.7Å; L151-V157 HydrophobicContact CD2-CG2 3.91Å; L151-V157 HydrophobicContact CG-CG2 4.31Å; H155-V157 HydrophobicContact CB-CG1 3.81Å; V157-I203 HydrophobicContact CG2-CD1 3.7Å
158K98.2Very high98.5Very high0 Ų027.8 Ų27.80%017%0.167CC..EExtended strand (participates in β ladder)trans-127.4108.4170.3173.2178.656.560.10108.6H6 L58 L59 P60 V61 W205 Q207 L239 W318H6-K158 WeakPolarHBondContact ND1-CE 3.48Å; H6-K158 PolarHBondContact ND1-NZ 3.27Å; L58-K158 HydrophobicContact CD1-CB 4.02Å; L58-K158 HydrophobicContact CD2-CB 3.69Å; L58-K158 HydrophobicContact CD2-CD 3.86Å; L58-K158 HydrophobicContact CD2-CG 4.31Å; L58-K158 HydrophobicContact CG-CB 3.62Å; L59-K158 PolarHBondContact O-N 3.5Å; P60-K158 WeakPolarHBondContact CA-O 3.2Å; V61-K158 PolarHBondContact N-O 3.37Å; V61-K158 VanDerWaalsContact N-O 3.14Å; K158-W205 HydrophobicContact CG-CB 4.46Å; K158-Q207 HydrophobicContact CD-CB 3.85Å; K158-Q207 HydrophobicContact CG-CB 4.09Å; K158-L239 HydrophobicContact CD-CD2 4.25Å; K158-W318 HydrophobicContact CD-CZ3 4.41Å
159P98.8Very high98.4Very high0 Ų028.1 Ų28.10%016%0.164CC..EExtended strand (participates in β ladder)trans-57.4144.8172-2636.8000111.9V61 L143 V147 L198 I203 W205 V206 Q207V61-P159 CarbonylContact O-C 3.41Å; V61-P159 VanDerWaalsContact O-CA 3.23Å; V61-P159 WeakPolarHBondContact O-CA 3.38Å; L143-P159 HydrophobicContact CD1-CB 4.19Å; V147-P159 HydrophobicContact CG2-CB 4.33Å; V147-P159 HydrophobicContact CG2-CG 3.76Å; P159-L198 HydrophobicContact CB-CD1 3.89Å; P159-L198 HydrophobicContact CB-CD2 4.22Å; P159-L198 HydrophobicContact CG-CD1 4.1Å; P159-L198 HydrophobicContact CG-CD2 3.83Å; P159-L198 HydrophobicContact CG-CG 4.5Å; P159-I203 VanDerWaalsContact CD-CG2 3.49Å; P159-I203 HydrophobicContact CG-CD1 4.17Å; P159-I203 HydrophobicContact CG-CG1 4.04Å; P159-I203 HydrophobicContact CG-CG2 3.78Å; P159-W205 WeakPolarHBondContact CD-O 3.11Å; P159-V206 HydrophobicContact CB-CG2 4.3Å; P159-V206 HydrophobicContact CG-CG2 4.4Å; P159-Q207 PolarHBondContact O-N 3.44Å
160V98.9Very high98.4Very high19 Ų1927.4 Ų27.412%0.11516%0.161CC..EExtended strand (participates in β ladder)trans-115.2128.2177.4-179.10000108.3P60 V61 Q207P60-V160 HydrophobicContact CB-CG2 3.9Å; V61-V160 PolarHBondContact O-N 3.46Å; V160-Q207 WeakPolarHBondContact CA-O 3.4Å; V160-Q207 HydrophobicContact CG1-CG 4.15Å; V160-Q207 HydrophobicContact CG2-CB 4.25Å; V160-Q207 HydrophobicContact CG2-CG 4.3Å
161L98.5Very high98.3Very high8 Ų827.4 Ų27.44%0.04216%0.161CC..EExtended strand (participates in β ladder)trans-133.9137.3179.9-111.2149.3000109.6L76 L143 G163 Y191 V194 L198 V206 Q207 I208 D209L76-L161 HydrophobicContact CD1-CD2 4.5Å; L143-L161 HydrophobicContact CD2-CD1 3.53Å; L143-L161 HydrophobicContact CD2-CG 3.78Å; L161-G163 PolarHBondContact O-N 3.07Å; L161-Y191 HydrophobicContact CD2-CD1 4.24Å; L161-Y191 HydrophobicContact CD2-CE1 3.79Å; L161-V194 HydrophobicContact CD1-CG1 3.82Å; L161-L198 HydrophobicContact CD1-CD1 4.32Å; L161-V206 HydrophobicContact CB-CG1 4.48Å; L161-V206 HydrophobicContact CD1-CG1 4.39Å; L161-Q207 PolarHBondContact N-O 2.97Å; L161-I208 CarbonylContact O-C 3.43Å; L161-I208 VanDerWaalsContact O-CA 3.31Å; L161-I208 WeakPolarHBondContact O-CA 3.48Å; L161-D209 PolarHBondContact O-N 3.23Å
162L98.9Very high98.1Very high7 Ų726.6 Ų26.64%0.03716%0.155CC..EExtended strand (participates in β ladder)trans-72.2129.3168.5-174.465.1000109.3V70 T73 W118 T166 W167 L170 Y191 D209V70-L162 HydrophobicContact CB-CD2 4.4Å; V70-L162 HydrophobicContact CG1-CD2 4.05Å; V70-L162 HydrophobicContact CG2-CD2 4.05Å; T73-L162 HydrophobicContact CG2-CB 4.31Å; W118-L162 HydrophobicContact CH2-CD1 3.79Å; L162-T166 HydrophobicContact CD1-CG2 3.81Å; L162-T166 HydrophobicContact CG-CG2 4.49Å; L162-W167 HydrophobicContact CD2-CB 4.01Å; L162-W167 HydrophobicContact CD2-CG 4.44Å; L162-W167 HydrophobicContact CG-CB 4.34Å; L162-L170 HydrophobicContact CD2-CD1 4.27Å; L162-Y191 WeakPolarHBondContact O-CE1 3.48Å; L162-Y191 PolarHBondContact O-OH 2.84Å; L162-D209 HydrophobicContact CD1-CB 4.2Å
163G98.8Very high98Very high0 Ų023.4 Ų23.40%013%0.126CC..  trans-65.4149.8-178.400000113.2L161 V165 W167 D209 E210L161-G163 PolarHBondContact O-N 3.07Å; G163-V165 VanDerWaalsContact C-N 3.32Å; G163-V165 PolarHBondContact O-N 3.36Å; G163-W167 WeakPolarHBondContact O-CB 3.17Å; G163-W167 PolarHBondContact O-N 3.39Å; G163-D209 WeakPolarHBondContact CA-O 3.32Å; G163-D209 PolarHBondContact N-O 3.3Å; G163-E210 VanDerWaalsContact CA-OE1 3.23Å; G163-E210 WeakPolarHBondContact CA-OE1 3.44Å
164P98.8Very high97.7Very high0 Ų022.5 Ų22.50%012%0.118CC..Hα-helixtrans-64.4-34.5-17426.8-36000113L168 L184 I187 L188 Y191 E210 A228 L232P164-L168 WeakPolarHBondContact O-CG 3.31Å; P164-L168 PolarHBondContact O-N 2.83Å; P164-L184 HydrophobicContact CB-CD1 4.07Å; P164-I187 HydrophobicContact CB-CD1 3.73Å; P164-I187 HydrophobicContact CB-CG1 4.44Å; P164-L188 HydrophobicContact CB-CD2 4.4Å; P164-L188 HydrophobicContact CG-CD2 4.2Å; P164-Y191 HydrophobicContact CB-CD2 4.17Å; P164-Y191 HydrophobicContact CB-CE2 3.79Å; P164-E210 WeakPolarHBondContact CD-OE1 3.44Å; P164-A228 HydrophobicContact CG-CB 4.33Å; P164-L232 HydrophobicContact CG-CD1 4.08Å
165V98.8Very high97.4Very high1 Ų123.2 Ų23.21%0.00613%0.126CC..Hα-helixtrans-75.1-46.1-176.2-174.30000109.7G163 W167 L168 W169 E210 W221 Y225 A228G163-V165 VanDerWaalsContact C-N 3.32Å; G163-V165 PolarHBondContact O-N 3.36Å; V165-W167 PolarHBondContact O-N 3.42Å; V165-L168 PolarHBondContact O-N 3.12Å; V165-W169 WeakPolarHBondContact O-CB 3.5Å; V165-W169 PolarHBondContact O-N 3.42Å; V165-E210 PolarHBondContact N-OE1 2.92Å; V165-W221 HydrophobicContact CG1-CE3 3.98Å; V165-W221 HydrophobicContact CG1-CZ3 4.45Å; V165-Y225 HydrophobicContact CB-CD1 4.21Å; V165-Y225 HydrophobicContact CB-CE1 3.79Å; V165-Y225 HydrophobicContact CB-CE2 4.15Å; V165-Y225 HydrophobicContact CG1-CD2 4.06Å; V165-Y225 HydrophobicContact CG1-CE1 4.14Å; V165-Y225 HydrophobicContact CG1-CE2 3.56Å; V165-Y225 HydrophobicContact CG2-CD1 4Å; V165-Y225 HydrophobicContact CG2-CD2 4.48Å; V165-Y225 HydrophobicContact CG2-CE1 4.1Å; V165-Y225 HydrophobicContact CG2-CG 4.19Å; V165-A228 HydrophobicContact CG2-CB 4.02Å
166T98.8Very high97.1Very high0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-59.9-43.5173-700000111.3L162 L168 W169 L170 E210 P211 A212L162-T166 HydrophobicContact CD1-CG2 3.81Å; L162-T166 HydrophobicContact CG-CG2 4.49Å; T166-L168 VanDerWaalsContact C-N 3.32Å; T166-L168 PolarHBondContact O-N 2.9Å; T166-W169 WeakPolarHBondContact O-CB 3.42Å; T166-W169 PolarHBondContact O-N 3.27Å; T166-W169 VanDerWaalsContact O-N 3.13Å; T166-L170 HydrophobicContact CG2-CD1 3.52Å; T166-L170 HydrophobicContact CG2-CG 3.99Å; T166-L170 WeakPolarHBondContact O-CB 3.36Å; T166-L170 WeakPolarHBondContact O-CG 2.96Å; T166-L170 PolarHBondContact O-N 2.61Å; T166-E210 WeakPolarHBondContact CA-OE2 3.48Å; T166-E210 WeakPolarHBondContact CB-OE2 2.99Å; T166-E210 PolarHBondContact N-OE2 3.01Å; T166-E210 WeakPolarHBondContact OG1-CA 3.31Å; T166-E210 PolarHBondContact OG1-OE2 3.35Å; T166-P211 HydrophobicContact CG2-CG 3.96Å; T166-A212 HydrophobicContact CG2-CB 4.29Å; T166-A212 WeakPolarHBondContact OG1-CB 3.38Å; T166-A212 PolarHBondContact OG1-N 3.03Å
167W98.8Very high97Very high0 Ų029.2 Ų29.20%016%0.155CC..Hα-helixtrans-60-41.4179-179.981.9000112.4T73 S74 L77 N79 P128 F130 F136 L162 G163 V165 L170 G171 I187T73-W167 HydrophobicContact CG2-CG 4.01Å; S74-W167 PolarHBondContact OG-NE1 2.92Å; L77-W167 HydrophobicContact CD1-CD2 3.63Å; L77-W167 HydrophobicContact CD1-CE3 3.69Å; L77-W167 HydrophobicContact CD1-CG 4.34Å; L77-W167 HydrophobicContact CD1-CH2 3.71Å; L77-W167 HydrophobicContact CD1-CZ2 3.68Å; L77-W167 HydrophobicContact CD1-CZ3 3.74Å; N79-W167 HydrophobicContact CB-CH2 4.03Å; N79-W167 HydrophobicContact CB-CZ2 3.74Å; P128-W167 HydrophobicContact CB-CZ2 3.92Å; P128-W167 HydrophobicContact CG-CZ2 4.41Å; F130-W167 HydrophobicContact CD1-CH2 4.13Å; F130-W167 HydrophobicContact CE1-CE3 4.27Å; F130-W167 AromaticContact CE1-CH2 3.28Å; F130-W167 HydrophobicContact CE1-CH2 3.28Å; F130-W167 AromaticContact CE1-CZ2 3.69Å; F130-W167 HydrophobicContact CE1-CZ2 3.69Å; F130-W167 AromaticContact CE1-CZ3 3.58Å; F130-W167 HydrophobicContact CE1-CZ3 3.58Å; F130-W167 HydrophobicContact CZ-CE3 4.15Å; F130-W167 AromaticContact CZ-CH2 3.99Å; F130-W167 HydrophobicContact CZ-CH2 3.99Å; F130-W167 HydrophobicContact CZ-CZ2 4.35Å; F130-W167 AromaticContact CZ-CZ3 3.85Å; F130-W167 HydrophobicContact CZ-CZ3 3.85Å; F136-W167 AromaticContact CE1-CH2 3.87Å; F136-W167 HydrophobicContact CE1-CH2 3.87Å; F136-W167 HydrophobicContact CE1-CZ3 4.41Å; L162-W167 HydrophobicContact CD2-CB 4.01Å; L162-W167 HydrophobicContact CD2-CG 4.44Å; L162-W167 HydrophobicContact CG-CB 4.34Å; G163-W167 WeakPolarHBondContact O-CB 3.17Å; G163-W167 PolarHBondContact O-N 3.39Å; V165-W167 PolarHBondContact O-N 3.42Å; W167-L170 PolarHBondContact O-N 3.13Å; W167-G171 PolarHBondContact O-N 3.33Å; W167-I187 HydrophobicContact CE3-CD1 4.02Å; W167-I187 HydrophobicContact CZ3-CD1 4.25Å; W167-I187 HydrophobicContact CZ3-CG2 3.93Å
168L98.6Very high96.9Very high0 Ų030.3 Ų30.30%016%0.159CC..Hα-helixtrans-66.4-40.6173.2-71.8175.1000112.5F130 P164 V165 T166 L170 G171 R180 L183 L184 I187 W221F130-L168 HydrophobicContact CE2-CD2 4.11Å; F130-L168 HydrophobicContact CZ-CD2 3.99Å; P164-L168 WeakPolarHBondContact O-CG 3.31Å; P164-L168 PolarHBondContact O-N 2.83Å; V165-L168 PolarHBondContact O-N 3.12Å; T166-L168 VanDerWaalsContact C-N 3.32Å; T166-L168 PolarHBondContact O-N 2.9Å; L168-L170 PolarHBondContact O-N 3.31Å; L168-G171 PolarHBondContact O-N 3.05Å; L168-R180 PolarHBondContact O-NH1 3.35Å; L168-L183 HydrophobicContact CD2-CB 3.89Å; L168-L183 HydrophobicContact CD2-CD1 4.2Å; L168-L184 HydrophobicContact CD1-CB 3.85Å; L168-L184 HydrophobicContact CD1-CD1 4.1Å; L168-I187 HydrophobicContact CD1-CD1 3.84Å; L168-I187 HydrophobicContact CD2-CD1 4.23Å; L168-I187 HydrophobicContact CG-CD1 3.84Å; L168-W221 HydrophobicContact CB-CH2 4.16Å; L168-W221 HydrophobicContact CB-CZ3 3.99Å
169W98.1Very high96.8Very high69 Ų6934.9 Ų34.926%0.26118%0.184SC..Hα-helixtrans-59.9-37178.2176.2-103.9000112.2V165 T166 R180 A212 L215 L217 P218 W221V165-W169 WeakPolarHBondContact O-CB 3.5Å; V165-W169 PolarHBondContact O-N 3.42Å; T166-W169 WeakPolarHBondContact O-CB 3.42Å; T166-W169 PolarHBondContact O-N 3.27Å; T166-W169 VanDerWaalsContact O-N 3.13Å; W169-R180 PolarHBondContact O-NH1 3.48Å; W169-A212 HydrophobicContact CG-CB 4.31Å; W169-L215 HydrophobicContact CZ2-CD1 4.39Å; W169-L217 HydrophobicContact CD2-CD2 3.98Å; W169-L217 HydrophobicContact CE3-CD2 4.13Å; W169-L217 HydrophobicContact CH2-CD2 3.95Å; W169-L217 HydrophobicContact CZ2-CD2 3.81Å; W169-L217 HydrophobicContact CZ3-CD2 4.11Å; W169-P218 HydrophobicContact CZ3-CG 4.5Å; W169-W221 VanDerWaalsContact CA-CZ3 3.44Å; W169-W221 HydrophobicContact CB-CE3 4.08Å; W169-W221 HydrophobicContact CB-CH2 4.18Å; W169-W221 HydrophobicContact CB-CZ3 3.66Å; W169-W221 HydrophobicContact CD2-CE3 4.49Å; W169-W221 AromaticContact CE3-CD2 3.46Å; W169-W221 HydrophobicContact CE3-CD2 3.46Å; W169-W221 VanDerWaalsContact CE3-CD2 3.46Å; W169-W221 AromaticContact CE3-CE2 3.48Å; W169-W221 VanDerWaalsContact CE3-CE2 3.48Å; W169-W221 AromaticContact CE3-CE3 3.71Å; W169-W221 HydrophobicContact CE3-CE3 3.71Å; W169-W221 AromaticContact CE3-CG 3.99Å; W169-W221 HydrophobicContact CE3-CG 3.99Å; W169-W221 HydrophobicContact CE3-CH2 4.01Å; W169-W221 AromaticContact CE3-CZ2 3.77Å; W169-W221 HydrophobicContact CE3-CZ2 3.77Å; W169-W221 AromaticContact CE3-CZ3 3.99Å; W169-W221 HydrophobicContact CE3-CZ3 3.99Å; W169-W221 AromaticContact CE3-NE1 3.96Å; W169-W221 AromaticContact CZ3-CD1 3.86Å; W169-W221 AromaticContact CZ3-CD2 3.88Å; W169-W221 HydrophobicContact CZ3-CD2 3.88Å; W169-W221 AromaticContact CZ3-CE2 3.71Å; W169-W221 AromaticContact CZ3-CG 3.99Å; W169-W221 HydrophobicContact CZ3-CG 3.99Å; W169-W221 HydrophobicContact CZ3-CZ2 4.26Å; W169-W221 AromaticContact CZ3-NE1 3.68Å; W169-W221 VanDerWaalsContact N-CZ3 3.35Å
170L97.6Very high96.7Very high16 Ų1637.9 Ų37.98%0.08420%0.195CC..Hα-helixtrans-81.1-14.7-177.9-66.9171.1000114.2W118 Y125 L162 T166 W167 L168W118-L170 HydrophobicContact CE3-CD1 4.34Å; W118-L170 HydrophobicContact CH2-CD1 4Å; W118-L170 HydrophobicContact CZ3-CD1 3.39Å; Y125-L170 HydrophobicContact CE1-CD2 4.11Å; Y125-L170 HydrophobicContact CE2-CB 3.83Å; Y125-L170 HydrophobicContact CE2-CD2 4.43Å; Y125-L170 HydrophobicContact CE2-CG 4.5Å; Y125-L170 WeakPolarHBondContact OH-CD2 3.43Å; Y125-L170 PolarHBondContact OH-O 3.39Å; L162-L170 HydrophobicContact CD2-CD1 4.27Å; T166-L170 HydrophobicContact CG2-CD1 3.52Å; T166-L170 HydrophobicContact CG2-CG 3.99Å; T166-L170 WeakPolarHBondContact O-CB 3.36Å; T166-L170 WeakPolarHBondContact O-CG 2.96Å; T166-L170 PolarHBondContact O-N 2.61Å; W167-L170 PolarHBondContact O-N 3.13Å; L168-L170 PolarHBondContact O-N 3.31Å
171G96.6Very high96.6Very high1 Ų138 Ų381%0.0120%0.195CC..  trans-89.2170.1-178.100000114.6P128 F130 W167 L168 R180P128-G171 CarbonylContact O-C 3.53Å; P128-G171 WeakPolarHBondContact O-CA 3.3Å; F130-G171 VanDerWaalsContact CE2-CA 3.49Å; W167-G171 PolarHBondContact O-N 3.33Å; L168-G171 PolarHBondContact O-N 3.05Å; G171-R180 WeakPolarHBondContact O-CD 3.39Å; G171-R180 PolarHBondContact O-NH1 3.38Å
172K94.8Very high96.5Very high46 Ų4640.8 Ų40.820%0.222%0.215CC..EExtended strand (participates in β ladder)trans-127.4147.5177.9-75.3-177174.81800111.7E114 V127 P128 F130 E646E114-K172 VanDerWaalsContact CD-NZ 3.33Å; E114-K172 IonicContact OE1-NZ 3.68Å; E114-K172 PolarHBondContact OE1-NZ 2.73Å; E114-K172 WeakPolarHBondContact OE2-CD 3.47Å; E114-K172 IonicContact OE2-NZ 2.68Å; E114-K172 PolarHBondContact OE2-NZ 2.69Å; E114-K172 VanDerWaalsContact OE2-NZ 3.1Å; V127-K172 HydrophobicContact CG1-CB 4.05Å; V127-K172 HydrophobicContact CG1-CD 4.12Å; V127-K172 HydrophobicContact CG1-CG 3.83Å; P128-K172 PolarHBondContact O-N 2.9Å; F130-K172 PolarHBondContact N-O 2.96Å; K172-E646 VanDerWaalsContact CE-OE1 3.32Å; K172-E646 WeakPolarHBondContact CE-OE1 3.49Å; K172-E646 IonicContact NZ-OE1 3.32Å; K172-E646 PolarHBondContact NZ-OE1 2.93Å
173V95.4Very high96.5Very high22 Ų2240.7 Ų40.713%0.13322%0.215CC..EExtended strand (participates in β ladder)trans-75.9138.3172.5175.60000109.8F130 E176 F178 R180F130-V173 CarbonylContact O-C 3.57Å; F130-V173 WeakPolarHBondContact O-CA 3.18Å; V173-E176 VanDerWaalsContact CG1-O 3.25Å; V173-E176 WeakPolarHBondContact CG1-O 3.5Å; V173-F178 HydrophobicContact CB-CD1 4.47Å; V173-F178 HydrophobicContact CB-CE1 4.25Å; V173-F178 HydrophobicContact CG1-CD1 3.58Å; V173-F178 HydrophobicContact CG1-CE1 3.55Å; V173-F178 HydrophobicContact CG2-CD1 4.03Å; V173-F178 HydrophobicContact CG2-CE1 3.84Å; V173-F178 HydrophobicContact CG2-CZ 4.21Å; V173-F178 WeakPolarHBondContact CG2-O 3.36Å; V173-R180 HydrophobicContact CG2-CG 3.66Å
174K92.4Very high96.4Very high78 Ų7841.1 Ų41.134%0.33922%0.217SC..  trans-121.4134.3172.3-62.5-61.8-178.4-172.70109.5E129 F130 V131E129-K174 HydrophobicContact CB-CG 3.94Å; E129-K174 HydrophobicContact CG-CG 4.02Å; F130-K174 PolarHBondContact O-N 3.04Å; V131-K174 HydrophobicContact CG1-CB 4.4Å
175G90.7Very high96.4Very high71 Ų7146.9 Ų46.973%0.73225%0.248SC*.SBendtrans82.9-128.5-177.800000112.5Q177G175-Q177 PolarHBondContact O-N 2.81Å
176E93.1Very high96.3Very high121 Ų12150.6 Ų50.657%0.56527%0.267SS*.SBendtrans-63128.2179.3-172-173.4160.200110.6K132 V173 F178K132-E176 HydrophobicContact CD-CG 4.4Å; K132-E176 WeakPolarHBondContact CD-OE1 3.42Å; K132-E176 WeakPolarHBondContact CD-OE2 2.94Å; K132-E176 IonicContact NZ-OE1 3.97Å; K132-E176 PolarHBondContact NZ-OE1 3.14Å; K132-E176 IonicContact NZ-OE2 2.68Å; V173-E176 VanDerWaalsContact CG1-O 3.25Å; V173-E176 WeakPolarHBondContact CG1-O 3.5Å; E176-F178 WeakPolarHBondContact O-CD1 3.05Å
177Q94.2Very high96.3Very high142 Ų14250.6 Ų50.666%0.66427%0.267SS*.  trans-66.3137.5177.6-70-62.9-23.500111.7G175G175-Q177 PolarHBondContact O-N 2.81Å
178F96.7Very high96.3Very high36 Ų3651 Ų5116%0.15827%0.269CS..  trans-156.6165.8174.369.7-80.6000110.7F130 V131 K132 V173 E176 R180 L183F130-F178 HydrophobicContact CB-CE1 4.4Å; F130-F178 HydrophobicContact CB-CZ 3.75Å; V131-F178 VanDerWaalsContact C-CE1 3.4Å; K132-F178 HydrophobicContact CB-CD1 3.95Å; K132-F178 HydrophobicContact CB-CE1 4.24Å; K132-F178 HydrophobicContact CB-CG 4.38Å; K132-F178 VanDerWaalsContact N-CE1 3.29Å; V173-F178 HydrophobicContact CB-CD1 4.47Å; V173-F178 HydrophobicContact CB-CE1 4.25Å; V173-F178 HydrophobicContact CG1-CD1 3.58Å; V173-F178 HydrophobicContact CG1-CE1 3.55Å; V173-F178 HydrophobicContact CG2-CD1 4.03Å; V173-F178 HydrophobicContact CG2-CE1 3.84Å; V173-F178 HydrophobicContact CG2-CZ 4.21Å; V173-F178 WeakPolarHBondContact CG2-O 3.36Å; E176-F178 WeakPolarHBondContact O-CD1 3.05Å; F178-R180 PolarHBondContact O-N 3.04Å; F178-L183 HydrophobicContact CE2-CD1 3.75Å; F178-L183 HydrophobicContact CE2-CD2 3.86Å; F178-L183 HydrophobicContact CE2-CG 3.77Å; F178-L183 HydrophobicContact CZ-CD1 3.97Å; F178-L183 HydrophobicContact CZ-CD2 4.39Å; F178-L183 HydrophobicContact CZ-CG 4.42Å
179D96.1Very high96.3Very high96 Ų9654.2 Ų54.251%0.51329%0.291SS..  trans-74.4119.9176.91809.6000111.2L181 S182D179-L181 PolarHBondContact O-N 2.91Å; D179-L181 PolarHBondContact OD1-N 3.28Å; D179-S182 VanDerWaalsContact O-CB 3.28Å; D179-S182 WeakPolarHBondContact O-CB 3.36Å; D179-S182 PolarHBondContact O-N 2.88Å; D179-S182 PolarHBondContact O-OG 3.39Å
180R96.6Very high96.3Very high62 Ų6251.3 Ų51.323%0.23428%0.281CS..G310 helixtrans-59-35.1178-62-179.4-74.8160.34.6112.4F130 L168 W169 G171 V173 F178 S182 L183 W221F130-R180 HydrophobicContact CD2-CB 4.32Å; F130-R180 HydrophobicContact CD2-CG 3.91Å; F130-R180 HydrophobicContact CE2-CB 4.43Å; F130-R180 HydrophobicContact CE2-CG 4.29Å; L168-R180 PolarHBondContact O-NH1 3.35Å; W169-R180 PolarHBondContact O-NH1 3.48Å; G171-R180 WeakPolarHBondContact O-CD 3.39Å; G171-R180 PolarHBondContact O-NH1 3.38Å; V173-R180 HydrophobicContact CG2-CG 3.66Å; F178-R180 PolarHBondContact O-N 3.04Å; R180-S182 PolarHBondContact O-N 2.59Å; R180-L183 WeakPolarHBondContact O-CB 3.45Å; R180-L183 PolarHBondContact O-N 2.88Å; R180-W221 HydrophobicContact CB-CH2 4.24Å; R180-W221 HydrophobicContact CB-CZ2 4.47Å
181L96.9Very high96.3Very high22 Ų2250.6 Ų50.612%0.11528%0.277CS..G310 helixtrans-63.7-22.5178.5-78.6175.8000112.7D179 L183 L184 A220 W221 A224D179-L181 PolarHBondContact O-N 2.91Å; D179-L181 PolarHBondContact OD1-N 3.28Å; L181-L183 PolarHBondContact O-N 3.21Å; L181-L183 VanDerWaalsContact O-N 3.14Å; L181-L184 VanDerWaalsContact O-CB 3.23Å; L181-L184 WeakPolarHBondContact O-CB 3.49Å; L181-L184 PolarHBondContact O-N 3.06Å; L181-A220 HydrophobicContact CD1-CB 4.33Å; L181-W221 HydrophobicContact CD1-CD2 3.78Å; L181-W221 HydrophobicContact CD1-CE3 4.29Å; L181-W221 HydrophobicContact CD1-CG 3.95Å; L181-W221 HydrophobicContact CD1-CZ2 4.35Å; L181-W221 HydrophobicContact CD2-CD2 3.85Å; L181-W221 HydrophobicContact CD2-CE3 3.46Å; L181-W221 VanDerWaalsContact CD2-CE3 3.46Å; L181-W221 HydrophobicContact CD2-CH2 3.94Å; L181-W221 HydrophobicContact CD2-CZ2 4.3Å; L181-W221 HydrophobicContact CD2-CZ3 3.5Å; L181-W221 VanDerWaalsContact CD2-CZ3 3.5Å; L181-W221 HydrophobicContact CG-CD2 3.86Å; L181-W221 HydrophobicContact CG-CE3 3.96Å; L181-W221 HydrophobicContact CG-CH2 3.92Å; L181-W221 HydrophobicContact CG-CZ2 3.83Å; L181-W221 HydrophobicContact CG-CZ3 3.97Å; L181-A224 HydrophobicContact CD1-CB 4.49Å; L181-A224 HydrophobicContact CD2-CB 3.77Å
182S96.4Very high96.4Very high67 Ų6754.3 Ų54.347%0.46929%0.294SS..G310 helixtrans-61.2-22.6176.570.30000113.4D179 R180 L184D179-S182 VanDerWaalsContact O-CB 3.28Å; D179-S182 WeakPolarHBondContact O-CB 3.36Å; D179-S182 PolarHBondContact O-N 2.88Å; D179-S182 PolarHBondContact O-OG 3.39Å; R180-S182 PolarHBondContact O-N 2.59Å; S182-L184 VanDerWaalsContact C-N 3.3Å; S182-L184 PolarHBondContact O-N 3.1Å
183L97.9Very high96.6Very high4 Ų459 Ų592%0.02131%0.31CS..G310 helixtrans-79.4-9.2178.3-57173.4000113.5F130 F136 L168 F178 R180 L181 N185 D186 I187F130-L183 HydrophobicContact CB-CD1 3.86Å; F130-L183 HydrophobicContact CD1-CD1 4.19Å; F130-L183 HydrophobicContact CD2-CD1 4.18Å; F130-L183 HydrophobicContact CG-CD1 3.83Å; F136-L183 HydrophobicContact CE2-CB 4.22Å; F136-L183 HydrophobicContact CE2-CD2 4.09Å; F136-L183 HydrophobicContact CZ-CB 4.45Å; F136-L183 HydrophobicContact CZ-CD1 4.18Å; F136-L183 HydrophobicContact CZ-CD2 4.38Å; L168-L183 HydrophobicContact CD2-CB 3.89Å; L168-L183 HydrophobicContact CD2-CD1 4.2Å; F178-L183 HydrophobicContact CE2-CD1 3.75Å; F178-L183 HydrophobicContact CE2-CD2 3.86Å; F178-L183 HydrophobicContact CE2-CG 3.77Å; F178-L183 HydrophobicContact CZ-CD1 3.97Å; F178-L183 HydrophobicContact CZ-CD2 4.39Å; F178-L183 HydrophobicContact CZ-CG 4.42Å; R180-L183 WeakPolarHBondContact O-CB 3.45Å; R180-L183 PolarHBondContact O-N 2.88Å; L181-L183 PolarHBondContact O-N 3.21Å; L181-L183 VanDerWaalsContact O-N 3.14Å; L183-N185 VanDerWaalsContact C-N 3.33Å; L183-N185 PolarHBondContact O-N 3.05Å; L183-D186 WeakPolarHBondContact O-CB 3.45Å; L183-D186 PolarHBondContact O-N 2.78Å; L183-I187 PolarHBondContact O-N 2.65Å; L183-I187 VanDerWaalsContact O-N 3.12Å
184L98.2Very high96.7Very high10 Ų1058 Ų585%0.05230%0.304CS..Hα-helixtrans-56.7-46.7-174.7-18059.5000111.7P164 L168 L181 S182 D186 I187 L188 A224 A228P164-L184 HydrophobicContact CB-CD1 4.07Å; L168-L184 HydrophobicContact CD1-CB 3.85Å; L168-L184 HydrophobicContact CD1-CD1 4.1Å; L181-L184 VanDerWaalsContact O-CB 3.23Å; L181-L184 WeakPolarHBondContact O-CB 3.49Å; L181-L184 PolarHBondContact O-N 3.06Å; S182-L184 VanDerWaalsContact C-N 3.3Å; S182-L184 PolarHBondContact O-N 3.1Å; L184-D186 PolarHBondContact O-N 3Å; L184-I187 HydrophobicContact CD1-CD1 4.31Å; L184-I187 HydrophobicContact CD1-CG1 4.43Å; L184-I187 VanDerWaalsContact O-CG1 3.25Å; L184-I187 WeakPolarHBondContact O-CG1 3.37Å; L184-I187 PolarHBondContact O-N 3.01Å; L184-L188 HydrophobicContact CD1-CD1 4.25Å; L184-L188 HydrophobicContact CD1-CD2 4.32Å; L184-L188 HydrophobicContact CD1-CG 4.14Å; L184-L188 HydrophobicContact CG-CD1 4.06Å; L184-L188 HydrophobicContact CG-CG 4.43Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 2.69Å; L184-A224 HydrophobicContact CD2-CB 4Å; L184-A228 HydrophobicContact CD1-CB 4.04Å; L184-A228 HydrophobicContact CD2-CB 4.18Å
185N97.2Very high97Very high121 Ų12154.4 Ų54.465%0.64729%0.289SS*.Hα-helixtrans-65.4-24.9178.9-70.5-29.1000113.1L183 P189L183-N185 VanDerWaalsContact C-N 3.33Å; L183-N185 PolarHBondContact O-N 3.05Å; N185-P189 WeakPolarHBondContact O-CD 3.28Å
186D97.6Very high97.4Very high78 Ų7852.1 Ų52.142%0.41726%0.262SS..Hα-helixtrans-82.6-29.1-179.6-57.6-45.7000112.3F136 L183 L184F136-D186 HydrophobicContact CD2-CB 3.66Å; F136-D186 HydrophobicContact CE2-CB 3.99Å; L183-D186 WeakPolarHBondContact O-CB 3.45Å; L183-D186 PolarHBondContact O-N 2.78Å; L184-D186 PolarHBondContact O-N 3Å
187I98.4Very high97.7Very high0 Ų048.4 Ų48.40%025%0.245CC..Hα-helixtrans-85.7-30.8178.663171.9000113.3L77 F136 P164 W167 L168 L183 L184 P189 V190 Y191L77-I187 HydrophobicContact CD1-CG2 4.39Å; L77-I187 HydrophobicContact CD2-CB 4.22Å; F136-I187 HydrophobicContact CB-CG2 4.35Å; F136-I187 HydrophobicContact CD1-CG2 3.82Å; F136-I187 HydrophobicContact CD2-CG2 3.61Å; F136-I187 HydrophobicContact CE1-CG2 3.96Å; F136-I187 HydrophobicContact CE2-CG2 3.76Å; F136-I187 HydrophobicContact CG-CG2 3.64Å; F136-I187 HydrophobicContact CZ-CG2 3.93Å; P164-I187 HydrophobicContact CB-CD1 3.73Å; P164-I187 HydrophobicContact CB-CG1 4.44Å; W167-I187 HydrophobicContact CE3-CD1 4.02Å; W167-I187 HydrophobicContact CZ3-CD1 4.25Å; W167-I187 HydrophobicContact CZ3-CG2 3.93Å; L168-I187 HydrophobicContact CD1-CD1 3.84Å; L168-I187 HydrophobicContact CD2-CD1 4.23Å; L168-I187 HydrophobicContact CG-CD1 3.84Å; L183-I187 PolarHBondContact O-N 2.65Å; L183-I187 VanDerWaalsContact O-N 3.12Å; L184-I187 HydrophobicContact CD1-CD1 4.31Å; L184-I187 HydrophobicContact CD1-CG1 4.43Å; L184-I187 VanDerWaalsContact O-CG1 3.25Å; L184-I187 WeakPolarHBondContact O-CG1 3.37Å; L184-I187 PolarHBondContact O-N 3.01Å; I187-P189 VanDerWaalsContact C-CD 3.48Å; I187-V190 WeakPolarHBondContact O-CB 3.45Å; I187-V190 PolarHBondContact O-N 3.13Å; I187-Y191 HydrophobicContact CD1-CE2 4.25Å; I187-Y191 PolarHBondContact O-N 2.73Å
188L98.5Very high97.9Very high8 Ų841.7 Ų41.74%0.04221%0.214CC..Hα-helixtrans-55.6-39.6-176.3-74.4168.9000114P164 L184 V190 Y191 Q192 A228 A231 L232P164-L188 HydrophobicContact CB-CD2 4.4Å; P164-L188 HydrophobicContact CG-CD2 4.2Å; L184-L188 HydrophobicContact CD1-CD1 4.25Å; L184-L188 HydrophobicContact CD1-CD2 4.32Å; L184-L188 HydrophobicContact CD1-CG 4.14Å; L184-L188 HydrophobicContact CG-CD1 4.06Å; L184-L188 HydrophobicContact CG-CG 4.43Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 2.69Å; L188-V190 PolarHBondContact O-N 3.06Å; L188-Y191 WeakPolarHBondContact O-CB 3.47Å; L188-Y191 PolarHBondContact O-N 2.88Å; L188-Y191 VanDerWaalsContact O-N 3.14Å; L188-Q192 WeakPolarHBondContact O-CG 3.32Å; L188-Q192 PolarHBondContact O-N 2.81Å; L188-A228 HydrophobicContact CD2-CB 4.16Å; L188-A231 HydrophobicContact CD1-CB 3.97Å; L188-A231 HydrophobicContact CD2-CB 4.45Å; L188-L232 HydrophobicContact CD2-CD1 4.3Å; L188-L232 HydrophobicContact CD2-CD2 3.93Å; L188-L232 HydrophobicContact CD2-CG 3.98Å
189P98.2Very high98Very high69 Ų6941.4 Ų41.445%0.44822%0.218SC..Hα-helixtrans-58.3-32.9175.2-27.736.2000114N185 I187 R193N185-P189 WeakPolarHBondContact O-CD 3.28Å; I187-P189 VanDerWaalsContact C-CD 3.48Å; P189-R193 WeakPolarHBondContact O-CB 3.34Å; P189-R193 PolarHBondContact O-N 2.97Å
190V98.5Very high98.1Very high8 Ų844 Ų445%0.04823%0.225CC..Hα-helixtrans-71.2-44.6176.7-1740000110.2L76 L77 F136 L138 I187 L188 R193 V194L76-V190 HydrophobicContact CD2-CG1 4.06Å; L77-V190 HydrophobicContact CD2-CB 3.76Å; L77-V190 HydrophobicContact CD2-CG1 3.82Å; L77-V190 HydrophobicContact CD2-CG2 4.4Å; F136-V190 HydrophobicContact CB-CG2 4.1Å; L138-V190 HydrophobicContact CB-CG1 4.08Å; L138-V190 HydrophobicContact CD1-CG1 4.47Å; I187-V190 WeakPolarHBondContact O-CB 3.45Å; I187-V190 PolarHBondContact O-N 3.13Å; L188-V190 PolarHBondContact O-N 3.06Å; V190-R193 WeakPolarHBondContact O-CB 3.37Å; V190-R193 PolarHBondContact O-N 2.89Å; V190-V194 WeakPolarHBondContact O-CG2 3.49Å; V190-V194 PolarHBondContact O-N 2.98Å
191Y98.8Very high98.1Very high1 Ų144.1 Ų44.10%0.00423%0.225CC..Hα-helixtrans-58.9-48174-83.6-92.5000112L77 L161 L162 P164 I187 L188 R193 V194 L195L77-Y191 HydrophobicContact CD1-CE2 3.99Å; L77-Y191 HydrophobicContact CD2-CD2 3.91Å; L77-Y191 HydrophobicContact CD2-CE2 3.69Å; L77-Y191 HydrophobicContact CG-CE2 4.35Å; L161-Y191 HydrophobicContact CD2-CD1 4.24Å; L161-Y191 HydrophobicContact CD2-CE1 3.79Å; L162-Y191 WeakPolarHBondContact O-CE1 3.48Å; L162-Y191 PolarHBondContact O-OH 2.84Å; P164-Y191 HydrophobicContact CB-CD2 4.17Å; P164-Y191 HydrophobicContact CB-CE2 3.79Å; I187-Y191 HydrophobicContact CD1-CE2 4.25Å; I187-Y191 PolarHBondContact O-N 2.73Å; L188-Y191 WeakPolarHBondContact O-CB 3.47Å; L188-Y191 PolarHBondContact O-N 2.88Å; L188-Y191 VanDerWaalsContact O-N 3.14Å; Y191-R193 VanDerWaalsContact C-N 3.28Å; Y191-R193 PolarHBondContact O-N 3.4Å; Y191-V194 PolarHBondContact O-N 2.8Å; Y191-V194 VanDerWaalsContact O-N 3.09Å; Y191-L195 WeakPolarHBondContact O-CG 3.1Å; Y191-L195 PolarHBondContact O-N 3.23Å
192Q98.6Very high98.1Very high79 Ų7946.2 Ų46.237%0.36925%0.252SS..Hα-helixtrans-55.6-43.9176.1-72.9175.1-32.300111.7L188 L195 A196 A231 L232L188-Q192 WeakPolarHBondContact O-CG 3.32Å; L188-Q192 PolarHBondContact O-N 2.81Å; Q192-L195 PolarHBondContact O-N 3.01Å; Q192-A196 WeakPolarHBondContact O-CB 3.35Å; Q192-A196 PolarHBondContact O-N 3.47Å; Q192-A231 PolarHBondContact NE2-O 2.81Å; Q192-L232 HydrophobicContact CG-CD2 4Å
193R98.2Very high98.2Very high145 Ų14543.6 Ų43.655%0.54723%0.233SC..Hα-helixtrans-61.5-44.6176.4-177.7177178.1-179.3-2.1111.6L138 P189 V190 Y191 A196 E197L138-R193 HydrophobicContact CD2-CG 4.48Å; P189-R193 WeakPolarHBondContact O-CB 3.34Å; P189-R193 PolarHBondContact O-N 2.97Å; V190-R193 WeakPolarHBondContact O-CB 3.37Å; V190-R193 PolarHBondContact O-N 2.89Å; Y191-R193 VanDerWaalsContact C-N 3.28Å; Y191-R193 PolarHBondContact O-N 3.4Å; R193-A196 PolarHBondContact O-N 2.65Å; R193-E197 WeakPolarHBondContact O-CG 3Å; R193-E197 PolarHBondContact O-N 3.16Å
194V98.5Very high98.1Very high1 Ų148.2 Ų48.21%0.00625%0.254CS..Hα-helixtrans-64.6-45178.6174.30000111.3L76 L138 L143 L144 L161 V190 Y191 A196 E197 L198L76-V194 HydrophobicContact CD1-CG2 4.2Å; L76-V194 HydrophobicContact CD2-CG2 4.12Å; L76-V194 HydrophobicContact CG-CG2 4.37Å; L138-V194 HydrophobicContact CD1-CG2 3.8Å; L138-V194 HydrophobicContact CD2-CG2 4.32Å; L143-V194 HydrophobicContact CD2-CG1 4.09Å; L144-V194 HydrophobicContact CD2-CG1 4.49Å; L161-V194 HydrophobicContact CD1-CG1 3.82Å; V190-V194 WeakPolarHBondContact O-CG2 3.49Å; V190-V194 PolarHBondContact O-N 2.98Å; Y191-V194 PolarHBondContact O-N 2.8Å; Y191-V194 VanDerWaalsContact O-N 3.09Å; V194-A196 VanDerWaalsContact C-N 3.32Å; V194-A196 PolarHBondContact O-N 3.05Å; V194-E197 PolarHBondContact O-N 3.23Å; V194-E197 VanDerWaalsContact O-N 3.14Å; V194-L198 HydrophobicContact CG1-CD1 4.22Å; V194-L198 HydrophobicContact CG1-CG 4.49Å; V194-L198 WeakPolarHBondContact O-CG 3.35Å; V194-L198 PolarHBondContact O-N 2.76Å
195L98.8Very high98.1Very high2 Ų249.1 Ų49.11%0.0126%0.257CS..Hα-helixtrans-61.2-40.2176.4-65178000112Y191 Q192 L198 A199 V206 L232 Q235 V236 L238Y191-L195 WeakPolarHBondContact O-CG 3.1Å; Y191-L195 PolarHBondContact O-N 3.23Å; Q192-L195 PolarHBondContact O-N 3.01Å; L195-L198 PolarHBondContact O-N 3.17Å; L195-A199 WeakPolarHBondContact O-CB 3.33Å; L195-A199 PolarHBondContact O-N 3.04Å; L195-V206 HydrophobicContact CD2-CB 4.31Å; L195-V206 HydrophobicContact CD2-CG1 4.09Å; L195-V206 HydrophobicContact CD2-CG2 4.2Å; L195-L232 HydrophobicContact CD1-CB 4Å; L195-L232 HydrophobicContact CD1-CD2 4.06Å; L195-L232 HydrophobicContact CD1-CG 4.44Å; L195-Q235 HydrophobicContact CB-CB 4.24Å; L195-V236 HydrophobicContact CB-CG2 4.33Å; L195-V236 HydrophobicContact CD2-CG2 3.83Å; L195-L238 HydrophobicContact CD1-CD2 4.3Å; L195-L238 HydrophobicContact CD2-CD2 4.15Å
196A98.4Very high98.2Very high22 Ų2243.3 Ų43.318%0.18223%0.226CC..Hα-helixtrans-64.7-38.3174.600000112.3Q192 R193 V194 A199 K200 Q235Q192-A196 WeakPolarHBondContact O-CB 3.35Å; Q192-A196 PolarHBondContact O-N 3.47Å; R193-A196 PolarHBondContact O-N 2.65Å; V194-A196 VanDerWaalsContact C-N 3.32Å; V194-A196 PolarHBondContact O-N 3.05Å; A196-A199 PolarHBondContact O-N 3.25Å; A196-K200 WeakPolarHBondContact O-CG 3.04Å; A196-K200 PolarHBondContact O-N 2.92Å; A196-K200 VanDerWaalsContact O-N 3.08Å; A196-Q235 HydrophobicContact CB-CG 4.46Å
197E98.5Very high98.3Very high44 Ų4439.6 Ų39.621%0.20621%0.206CC..Hα-helixtrans-67.7-34.3174.8-73.6-56.2136.300112.8L144 R193 V194 K200 R201L144-E197 HydrophobicContact CD1-CB 3.99Å; L144-E197 HydrophobicContact CD1-CG 4.26Å; L144-E197 HydrophobicContact CD2-CB 3.87Å; R193-E197 WeakPolarHBondContact O-CG 3Å; R193-E197 PolarHBondContact O-N 3.16Å; V194-E197 PolarHBondContact O-N 3.23Å; V194-E197 VanDerWaalsContact O-N 3.14Å; E197-K200 IonicContact OE1-NZ 2.7Å; E197-K200 PolarHBondContact OE1-NZ 2.92Å; E197-R201 PolarHBondContact O-NH1 2.88Å; E197-R201 IonicContact OE2-NH1 3.17Å; E197-R201 PolarHBondContact OE2-NH1 2.98Å; E197-R201 VanDerWaalsContact OE2-NH1 3.17Å
198L98.6Very high98.3Very high0 Ų039.7 Ų39.70%021%0.207CC..Hα-helixtrans-68.9-42.7172.3-67.3173.8000111.3L143 L144 V147 P159 L161 V194 L195 K200 R201 I203 V206L143-L198 HydrophobicContact CD2-CD1 4.31Å; L144-L198 HydrophobicContact CD2-CD2 3.77Å; L144-L198 HydrophobicContact CD2-CG 4.11Å; V147-L198 HydrophobicContact CB-CD2 4.45Å; V147-L198 HydrophobicContact CG1-CD2 4.43Å; V147-L198 HydrophobicContact CG2-CD2 3.9Å; P159-L198 HydrophobicContact CB-CD1 3.89Å; P159-L198 HydrophobicContact CB-CD2 4.22Å; P159-L198 HydrophobicContact CG-CD1 4.1Å; P159-L198 HydrophobicContact CG-CD2 3.83Å; P159-L198 HydrophobicContact CG-CG 4.5Å; L161-L198 HydrophobicContact CD1-CD1 4.32Å; V194-L198 HydrophobicContact CG1-CD1 4.22Å; V194-L198 HydrophobicContact CG1-CG 4.49Å; V194-L198 WeakPolarHBondContact O-CG 3.35Å; V194-L198 PolarHBondContact O-N 2.76Å; L195-L198 PolarHBondContact O-N 3.17Å; L198-K200 VanDerWaalsContact C-N 3.29Å; L198-K200 PolarHBondContact O-N 3.28Å; L198-R201 WeakPolarHBondContact O-CB 3.41Å; L198-R201 PolarHBondContact O-N 3.17Å; L198-I203 HydrophobicContact CB-CB 4.17Å; L198-I203 HydrophobicContact CB-CG1 4.23Å; L198-I203 HydrophobicContact CB-CG2 4.49Å; L198-I203 HydrophobicContact CD2-CG1 4.38Å; L198-I203 WeakPolarHBondContact O-CB 3.3Å; L198-I203 WeakPolarHBondContact O-CG1 3.25Å; L198-I203 PolarHBondContact O-N 3.38Å; L198-V206 HydrophobicContact CD1-CG2 3.75Å
199A98.3Very high98.3Very high30 Ų3039.8 Ų39.825%0.24821%0.207CC..Hα-helixtrans-57.3-42.2175.400000111.9L195 A196 R201 G202 Q235 V236L195-A199 WeakPolarHBondContact O-CB 3.33Å; L195-A199 PolarHBondContact O-N 3.04Å; A196-A199 PolarHBondContact O-N 3.25Å; A199-R201 PolarHBondContact O-N 3.31Å; A199-G202 PolarHBondContact O-N 3.24Å; A199-Q235 HydrophobicContact CB-CB 4.49Å; A199-Q235 WeakPolarHBondContact CB-O 3.32Å; A199-V236 HydrophobicContact CB-CG1 3.74Å
200K98.1Very high98.3Very high150 Ų15036.5 Ų36.565%0.65219%0.186SC*.Hα-helixtrans-60.1-24.6176-72.6172.3-169.8174.60113.8A196 E197 L198 G202A196-K200 WeakPolarHBondContact O-CG 3.04Å; A196-K200 PolarHBondContact O-N 2.92Å; A196-K200 VanDerWaalsContact O-N 3.08Å; E197-K200 IonicContact OE1-NZ 2.7Å; E197-K200 PolarHBondContact OE1-NZ 2.92Å; L198-K200 VanDerWaalsContact C-N 3.29Å; L198-K200 PolarHBondContact O-N 3.28Å; K200-G202 VanDerWaalsContact C-N 3.28Å
201R97.7Very high98.4Very high66 Ų6636.1 Ų36.125%0.24918%0.183CC..THydrogen-bonded Turntrans-87.74.7176.3-68.6160.8170.375.24.4112.9V147 D148 L151 E197 L198 A199 I203V147-R201 HydrophobicContact CG1-CB 4.46Å; D148-R201 VanDerWaalsContact CG-NE 3.32Å; D148-R201 VanDerWaalsContact OD1-CD 3.24Å; D148-R201 WeakPolarHBondContact OD1-CD 3.13Å; D148-R201 IonicContact OD1-CZ 3.71Å; D148-R201 IonicContact OD1-NE 2.75Å; D148-R201 PolarHBondContact OD1-NE 3.2Å; D148-R201 IonicContact OD1-NH2 3.85Å; D148-R201 IonicContact OD2-CZ 3.51Å; D148-R201 IonicContact OD2-NE 3.19Å; D148-R201 PolarHBondContact OD2-NE 3.3Å; D148-R201 IonicContact OD2-NH2 2.91Å; D148-R201 PolarHBondContact OD2-NH2 3.31Å; L151-R201 HydrophobicContact CD1-CB 4.06Å; E197-R201 PolarHBondContact O-NH1 2.88Å; E197-R201 IonicContact OE2-NH1 3.17Å; E197-R201 PolarHBondContact OE2-NH1 2.98Å; E197-R201 VanDerWaalsContact OE2-NH1 3.17Å; L198-R201 WeakPolarHBondContact O-CB 3.41Å; L198-R201 PolarHBondContact O-N 3.17Å; A199-R201 PolarHBondContact O-N 3.31Å; R201-I203 VanDerWaalsContact C-N 3.33Å; R201-I203 HydrophobicContact CB-CG1 4.38Å
202G97.2Very high98.3Very high66 Ų6636 Ų3668%0.6818%0.183SC*.THydrogen-bonded Turntrans77.417.7-178.600000113.9A199 K200 E204A199-G202 PolarHBondContact O-N 3.24Å; K200-G202 VanDerWaalsContact C-N 3.28Å; G202-E204 PolarHBondContact O-N 2.98Å
203I98.2Very high98.3Very high12 Ų1232.3 Ų32.36%0.06217%0.166CC..  trans-69.4123.1174.2-60.9-55.8000109.5V147 L151 V157 P159 L198 R201 W205 V206 V236V147-I203 HydrophobicContact CG1-CD1 3.92Å; V147-I203 HydrophobicContact CG1-CG1 4.15Å; L151-I203 HydrophobicContact CD1-CD1 4.46Å; V157-I203 HydrophobicContact CG2-CD1 3.7Å; P159-I203 VanDerWaalsContact CD-CG2 3.49Å; P159-I203 HydrophobicContact CG-CD1 4.17Å; P159-I203 HydrophobicContact CG-CG1 4.04Å; P159-I203 HydrophobicContact CG-CG2 3.78Å; L198-I203 HydrophobicContact CB-CB 4.17Å; L198-I203 HydrophobicContact CB-CG1 4.23Å; L198-I203 HydrophobicContact CB-CG2 4.49Å; L198-I203 HydrophobicContact CD2-CG1 4.38Å; L198-I203 WeakPolarHBondContact O-CB 3.3Å; L198-I203 WeakPolarHBondContact O-CG1 3.25Å; L198-I203 PolarHBondContact O-N 3.38Å; R201-I203 VanDerWaalsContact C-N 3.33Å; R201-I203 HydrophobicContact CB-CG1 4.38Å; I203-W205 VanDerWaalsContact CG2-O 3.29Å; I203-W205 WeakPolarHBondContact CG2-O 3.32Å; I203-V206 HydrophobicContact CG2-CG2 3.92Å; I203-V236 WeakPolarHBondContact O-CG1 3.4Å
204E96.2Very high98.3Very high101 Ų10125.4 Ų25.447%0.47214%0.14SC..  trans-86.2-46.5176-172.3-170.6167.200112.1G202 K237G202-E204 PolarHBondContact O-N 2.98Å; E204-K237 HydrophobicContact CG-CD 4.21Å; E204-K237 WeakPolarHBondContact O-CB 3.23Å; E204-K237 PolarHBondContact O-N 3.28Å; E204-K237 WeakPolarHBondContact OE1-CE 3.41Å; E204-K237 IonicContact OE1-NZ 3.85Å; E204-K237 PolarHBondContact OE1-NZ 3.46Å
205W98.4Very high98.3Very high28 Ų2826.4 Ų26.411%0.10615%0.145CC..EExtended strand (participates in β ladder)trans-117.6134.8-174.2-75.492.9000111.4K158 P159 I203 K237 L239 Q260 L285 W318K158-W205 HydrophobicContact CG-CB 4.46Å; P159-W205 WeakPolarHBondContact CD-O 3.11Å; I203-W205 VanDerWaalsContact CG2-O 3.29Å; I203-W205 WeakPolarHBondContact CG2-O 3.32Å; W205-K237 WeakPolarHBondContact CA-O 3.2Å; W205-K237 HydrophobicContact CD2-CB 3.63Å; W205-K237 HydrophobicContact CD2-CD 4.15Å; W205-K237 HydrophobicContact CE3-CB 3.53Å; W205-K237 HydrophobicContact CG-CB 4.26Å; W205-K237 HydrophobicContact CH2-CB 4.06Å; W205-K237 HydrophobicContact CH2-CD 4.04Å; W205-K237 HydrophobicContact CZ2-CB 4.13Å; W205-K237 HydrophobicContact CZ2-CD 3.48Å; W205-K237 VanDerWaalsContact CZ2-CD 3.48Å; W205-K237 HydrophobicContact CZ2-CG 4.45Å; W205-K237 HydrophobicContact CZ3-CB 3.76Å; W205-L239 HydrophobicContact CE3-CB 4.02Å; W205-L239 HydrophobicContact CZ3-CB 4.23Å; W205-Q260 HydrophobicContact CH2-CB 3.67Å; W205-Q260 HydrophobicContact CZ3-CB 3.88Å; W205-L285 HydrophobicContact CH2-CB 3.94Å; W205-L285 HydrophobicContact CH2-CD2 3.74Å; W205-L285 HydrophobicContact CZ2-CB 4.38Å; W205-L285 HydrophobicContact CZ2-CD2 3.88Å; W205-L285 HydrophobicContact CZ3-CD2 4.13Å; W205-W318 HydrophobicContact CB-CH2 4.36Å; W205-W318 AromaticContact CD1-CH2 3.79Å; W205-W318 AromaticContact CD2-CH2 3.84Å; W205-W318 HydrophobicContact CD2-CH2 3.84Å; W205-W318 AromaticContact CE2-CH2 3.92Å; W205-W318 AromaticContact CG-CH2 3.74Å; W205-W318 HydrophobicContact CG-CH2 3.74Å; W205-W318 AromaticContact NE1-CH2 3.89Å; W205-W318 AromaticContact NE1-CZ2 3.96Å
206V98.9Very high98.2Very high0 Ų030.9 Ų30.90%017%0.166CC..EExtended strand (participates in β ladder)trans-118.7126.8167.6175.60000108.3P159 L161 L195 L198 I203 V236 K237 L238 L239P159-V206 HydrophobicContact CB-CG2 4.3Å; P159-V206 HydrophobicContact CG-CG2 4.4Å; L161-V206 HydrophobicContact CB-CG1 4.48Å; L161-V206 HydrophobicContact CD1-CG1 4.39Å; L195-V206 HydrophobicContact CD2-CB 4.31Å; L195-V206 HydrophobicContact CD2-CG1 4.09Å; L195-V206 HydrophobicContact CD2-CG2 4.2Å; L198-V206 HydrophobicContact CD1-CG2 3.75Å; I203-V206 HydrophobicContact CG2-CG2 3.92Å; V206-V236 HydrophobicContact CB-CG2 4.14Å; V206-V236 HydrophobicContact CG2-CB 4.29Å; V206-V236 HydrophobicContact CG2-CG2 3.68Å; V206-K237 PolarHBondContact N-O 2.85Å; V206-L238 HydrophobicContact CB-CD2 4.22Å; V206-L239 PolarHBondContact O-N 3.14Å
207Q98.9Very high98.1Very high0 Ų030.6 Ų30.60%016%0.161CC..EExtended strand (participates in β ladder)trans-75.8123.9165.7162.3174-29.700108L8 K158 P159 V160 L161 D209 T241L8-Q207 PolarHBondContact O-NE2 3.4Å; K158-Q207 HydrophobicContact CD-CB 3.85Å; K158-Q207 HydrophobicContact CG-CB 4.09Å; P159-Q207 PolarHBondContact O-N 3.44Å; V160-Q207 WeakPolarHBondContact CA-O 3.4Å; V160-Q207 HydrophobicContact CG1-CG 4.15Å; V160-Q207 HydrophobicContact CG2-CB 4.25Å; V160-Q207 HydrophobicContact CG2-CG 4.3Å; L161-Q207 PolarHBondContact N-O 2.97Å; Q207-D209 VanDerWaalsContact CD-OD1 3.3Å; Q207-D209 WeakPolarHBondContact CG-OD1 3.34Å; Q207-D209 PolarHBondContact NE2-OD1 3.03Å; Q207-T241 HydrophobicContact CG-CG2 4.18Å; Q207-T241 WeakPolarHBondContact CG-OG1 3.17Å
208I98.8Very high98Very high1 Ų131.9 Ų31.91%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-118.4109.7174.5-167.8165.2000109.1L161 E210 Y229 L232 L238 L239 L240 T241L161-I208 CarbonylContact O-C 3.43Å; L161-I208 VanDerWaalsContact O-CA 3.31Å; L161-I208 WeakPolarHBondContact O-CA 3.48Å; I208-E210 PolarHBondContact O-N 2.88Å; I208-Y229 HydrophobicContact CD1-CE1 4.15Å; I208-Y229 WeakPolarHBondContact CD1-OH 3.48Å; I208-Y229 WeakPolarHBondContact CG1-OH 3.38Å; I208-Y229 HydrophobicContact CG2-CE1 3.8Å; I208-Y229 WeakPolarHBondContact CG2-OH 3.33Å; I208-L232 HydrophobicContact CD1-CD1 3.96Å; I208-L238 HydrophobicContact CG2-CB 4.3Å; I208-L239 PolarHBondContact N-O 3.21Å; I208-L240 HydrophobicContact CG2-CD1 4.33Å; I208-T241 PolarHBondContact O-N 2.94Å
209D99Very high97.9Very high10 Ų1037.5 Ų37.55%0.05320%0.199CC..EExtended strand (participates in β ladder)trans-79.2111.6-174.2-79.418.7000109.4L161 L162 G163 Q207 P211 T241 Y243L161-D209 PolarHBondContact O-N 3.23Å; L162-D209 HydrophobicContact CD1-CB 4.2Å; G163-D209 WeakPolarHBondContact CA-O 3.32Å; G163-D209 PolarHBondContact N-O 3.3Å; Q207-D209 VanDerWaalsContact CD-OD1 3.3Å; Q207-D209 WeakPolarHBondContact CG-OD1 3.34Å; Q207-D209 PolarHBondContact NE2-OD1 3.03Å; D209-P211 WeakPolarHBondContact O-CD 3.29Å; D209-T241 WeakPolarHBondContact OD1-CB 3.22Å; D209-T241 WeakPolarHBondContact OD1-CG2 3.43Å; D209-Y243 HydrophobicContact CB-CE1 4.35Å; D209-Y243 VanDerWaalsContact OD2-CE1 3.28Å; D209-Y243 WeakPolarHBondContact OD2-CE1 3.35Å; D209-Y243 PolarHBondContact OD2-OH 3.37Å
210E98.9Very high97.9Very high0 Ų039 Ų390%021%0.212CC..  trans-119.260.6169.7-73.9-72-174.100110.4G163 P164 V165 T166 I208 A212 L213 Y225 Y229 L240 T241G163-E210 VanDerWaalsContact CA-OE1 3.23Å; G163-E210 WeakPolarHBondContact CA-OE1 3.44Å; P164-E210 WeakPolarHBondContact CD-OE1 3.44Å; V165-E210 PolarHBondContact N-OE1 2.92Å; T166-E210 WeakPolarHBondContact CA-OE2 3.48Å; T166-E210 WeakPolarHBondContact CB-OE2 2.99Å; T166-E210 PolarHBondContact N-OE2 3.01Å; T166-E210 WeakPolarHBondContact OG1-CA 3.31Å; T166-E210 PolarHBondContact OG1-OE2 3.35Å; I208-E210 PolarHBondContact O-N 2.88Å; E210-A212 PolarHBondContact O-N 3.25Å; E210-A212 VanDerWaalsContact O-N 3.13Å; E210-L213 HydrophobicContact CB-CD1 3.69Å; E210-L213 HydrophobicContact CB-CG 4.16Å; E210-L213 WeakPolarHBondContact O-CB 3.25Å; E210-L213 PolarHBondContact O-N 3.06Å; E210-Y225 HydrophobicContact CB-CE1 3.91Å; E210-Y225 VanDerWaalsContact CD-CE1 3.48Å; E210-Y225 HydrophobicContact CG-CD1 4.45Å; E210-Y225 HydrophobicContact CG-CE1 3.73Å; E210-Y225 PolarHBondContact OE2-OH 2.98Å; E210-Y229 HydrophobicContact CG-CE2 4.12Å; E210-Y229 WeakPolarHBondContact CG-OH 3.46Å; E210-Y229 PolarHBondContact OE1-OH 3.22Å; E210-L240 HydrophobicContact CB-CD1 3.9Å; E210-L240 HydrophobicContact CG-CD1 3.81Å; E210-T241 CarbonylContact C-O 3.58Å; E210-T241 PolarHBondContact N-O 2.9Å
211P98.7Very high97.9Very high0 Ų032.9 Ų32.90%018%0.184CC..G310 helixtrans-64.5-15.5-179.127.5-36.6000113.2W118 F119 T166 D209 L213 V214 Y243W118-P211 HydrophobicContact CH2-CG 4.01Å; W118-P211 HydrophobicContact CZ2-CG 3.81Å; F119-P211 HydrophobicContact CD2-CB 4.48Å; F119-P211 HydrophobicContact CD2-CG 4.5Å; F119-P211 HydrophobicContact CE1-CB 4.14Å; F119-P211 HydrophobicContact CE2-CB 3.71Å; F119-P211 HydrophobicContact CE2-CG 3.46Å; F119-P211 VanDerWaalsContact CE2-CG 3.46Å; F119-P211 HydrophobicContact CZ-CB 3.52Å; F119-P211 HydrophobicContact CZ-CG 3.52Å; T166-P211 HydrophobicContact CG2-CG 3.96Å; D209-P211 WeakPolarHBondContact O-CD 3.29Å; P211-L213 PolarHBondContact O-N 3.5Å; P211-V214 WeakPolarHBondContact O-CG2 3.44Å; P211-V214 PolarHBondContact O-N 3.33Å; P211-Y243 HydrophobicContact CB-CD2 3.89Å; P211-Y243 HydrophobicContact CB-CE2 3.44Å; P211-Y243 VanDerWaalsContact CB-CE2 3.44Å; P211-Y243 HydrophobicContact CG-CE2 3.83Å
212A98.4Very high97.9Very high0 Ų030.4 Ų30.40%018%0.176CC..G310 helixtrans-61.5-21.5171.800000112.7T166 W169 E210 V214 L215 L217T166-A212 HydrophobicContact CG2-CB 4.29Å; T166-A212 WeakPolarHBondContact OG1-CB 3.38Å; T166-A212 PolarHBondContact OG1-N 3.03Å; W169-A212 HydrophobicContact CG-CB 4.31Å; E210-A212 PolarHBondContact O-N 3.25Å; E210-A212 VanDerWaalsContact O-N 3.13Å; A212-V214 PolarHBondContact O-N 3.48Å; A212-V214 VanDerWaalsContact O-N 3.16Å; A212-L215 HydrophobicContact CB-CD1 4.31Å; A212-L215 VanDerWaalsContact O-CB 3.25Å; A212-L215 WeakPolarHBondContact O-CB 3.35Å; A212-L215 WeakPolarHBondContact O-CG 3.48Å; A212-L215 PolarHBondContact O-N 2.93Å; A212-L217 HydrophobicContact CB-CD1 4.34Å; A212-L217 HydrophobicContact CB-CD2 4.48Å; A212-L217 WeakPolarHBondContact O-CD1 3.29Å
213L98.5Very high98Very high0 Ų031.8 Ų31.80%017%0.168CC..G310 helixtrans-65.1-12.9176.7-74.4168.5000114.5E210 P211 L215 Y225 L240 T242 N250 I254E210-L213 HydrophobicContact CB-CD1 3.69Å; E210-L213 HydrophobicContact CB-CG 4.16Å; E210-L213 WeakPolarHBondContact O-CB 3.25Å; E210-L213 PolarHBondContact O-N 3.06Å; P211-L213 PolarHBondContact O-N 3.5Å; L213-L215 VanDerWaalsContact C-N 3.33Å; L213-Y225 HydrophobicContact CD1-CD1 4.26Å; L213-Y225 HydrophobicContact CD1-CE1 3.79Å; L213-Y225 HydrophobicContact CD2-CD1 4.03Å; L213-Y225 HydrophobicContact CD2-CD2 3.97Å; L213-Y225 HydrophobicContact CD2-CE1 3.65Å; L213-Y225 HydrophobicContact CD2-CE2 3.59Å; L213-Y225 HydrophobicContact CD2-CG 4.19Å; L213-Y225 VanDerWaalsContact CD2-CZ 3.43Å; L213-Y225 HydrophobicContact CG-CD1 4.31Å; L213-Y225 HydrophobicContact CG-CE1 3.58Å; L213-Y225 HydrophobicContact CG-CE2 4.23Å; L213-L240 HydrophobicContact CD1-CD1 4.17Å; L213-L240 HydrophobicContact CD1-CD2 3.81Å; L213-L240 HydrophobicContact CD1-CG 4.17Å; L213-T242 HydrophobicContact CB-CG2 3.96Å; L213-T242 HydrophobicContact CD1-CG2 4.13Å; L213-N250 PolarHBondContact O-ND2 3Å; L213-I254 HydrophobicContact CD1-CD1 4.41Å; L213-I254 HydrophobicContact CD1-CG1 4.06Å; L213-I254 HydrophobicContact CD2-CG1 4.29Å
214V98Very high98Very high0 Ų031.7 Ų31.70%017%0.169CC..G310 helixtrans-87.7-8.6174.5-45.60000112.6P211 A212 E245 V247 L609 R610P211-V214 WeakPolarHBondContact O-CG2 3.44Å; P211-V214 PolarHBondContact O-N 3.33Å; A212-V214 PolarHBondContact O-N 3.48Å; A212-V214 VanDerWaalsContact O-N 3.16Å; V214-E245 HydrophobicContact CB-CB 3.84Å; V214-E245 HydrophobicContact CB-CG 4.39Å; V214-E245 WeakPolarHBondContact CG1-O 3.32Å; V214-E245 HydrophobicContact CG2-CB 3.8Å; V214-V247 HydrophobicContact CG1-CG1 4.41Å; V214-L609 HydrophobicContact CG2-CD1 3.57Å; V214-R610 PolarHBondContact O-NE 2.83Å
215L97.4Very high98.1Very high22 Ų2226.9 Ų26.912%0.11515%0.147CC..SBendtrans-83.1166.9179.2-50.7-178.1000111.9F119 W169 A212 L213 L217 N250 L609F119-L215 HydrophobicContact CD1-CD2 4.09Å; F119-L215 HydrophobicContact CE1-CD1 4.03Å; F119-L215 HydrophobicContact CE1-CD2 3.96Å; F119-L215 HydrophobicContact CE1-CG 4.12Å; W169-L215 HydrophobicContact CZ2-CD1 4.39Å; A212-L215 HydrophobicContact CB-CD1 4.31Å; A212-L215 VanDerWaalsContact O-CB 3.25Å; A212-L215 WeakPolarHBondContact O-CB 3.35Å; A212-L215 WeakPolarHBondContact O-CG 3.48Å; A212-L215 PolarHBondContact O-N 2.93Å; L213-L215 VanDerWaalsContact C-N 3.33Å; L215-L217 HydrophobicContact CB-CD2 4.02Å; L215-L217 HydrophobicContact CB-CG 4.19Å; L215-L217 HydrophobicContact CD1-CD2 4.2Å; L215-L217 PolarHBondContact O-N 3.43Å; L215-N250 PolarHBondContact O-ND2 2.97Å; L215-L609 HydrophobicContact CD2-CB 3.79Å; L215-L609 HydrophobicContact CD2-CD1 4.42Å; L215-L609 HydrophobicContact CD2-CD2 4.43Å; L215-L609 HydrophobicContact CD2-CG 4.44Å
216E96.2Very high98.1Very high97 Ų9729.6 Ų29.645%0.45316%0.159SC..  trans-85.584.7166.1-68.3175.3147.400109.5R610 R611 S612E216-R610 HydrophobicContact CG-CB 4.09Å; E216-R610 HydrophobicContact CG-CG 4.18Å; E216-R611 WeakPolarHBondContact OE2-CA 3.31Å; E216-R611 VanDerWaalsContact OE2-CB 3.3Å; E216-R611 WeakPolarHBondContact OE2-CB 3.49Å; E216-R611 PolarHBondContact OE2-N 2.95Å; E216-S612 WeakPolarHBondContact OE1-CB 3.43Å; E216-S612 PolarHBondContact OE1-OG 3.46Å; E216-S612 PolarHBondContact OE2-N 2.94Å
217L96.3Very high98.1Very high16 Ų1632.7 Ų32.78%0.08418%0.179CC..  trans-82.9146.1-175.5-65.7178000112.3W169 A212 L215 W221 L222 Y225W169-L217 HydrophobicContact CD2-CD2 3.98Å; W169-L217 HydrophobicContact CE3-CD2 4.13Å; W169-L217 HydrophobicContact CH2-CD2 3.95Å; W169-L217 HydrophobicContact CZ2-CD2 3.81Å; W169-L217 HydrophobicContact CZ3-CD2 4.11Å; A212-L217 HydrophobicContact CB-CD1 4.34Å; A212-L217 HydrophobicContact CB-CD2 4.48Å; A212-L217 WeakPolarHBondContact O-CD1 3.29Å; L215-L217 HydrophobicContact CB-CD2 4.02Å; L215-L217 HydrophobicContact CB-CG 4.19Å; L215-L217 HydrophobicContact CD1-CD2 4.2Å; L215-L217 PolarHBondContact O-N 3.43Å; L217-W221 HydrophobicContact CB-CB 4.29Å; L217-L222 HydrophobicContact CB-CD2 4.02Å; L217-L222 HydrophobicContact CB-CG 4.06Å; L217-L222 HydrophobicContact CD1-CD2 4.08Å; L217-Y225 HydrophobicContact CD1-CE2 3.98Å
218P96.4Very high98.1Very high70 Ų7032.7 Ų32.746%0.45518%0.179SC..  trans-60.5148.4167.9-1829.7000111.5W169 A220 W221 L222W169-P218 HydrophobicContact CZ3-CG 4.5Å; P218-A220 VanDerWaalsContact C-N 3.27Å; P218-A220 PolarHBondContact O-N 3.4Å; P218-A220 VanDerWaalsContact O-N 3.14Å; P218-W221 WeakPolarHBondContact O-CB 3.19Å; P218-W221 PolarHBondContact O-N 3.32Å; P218-L222 PolarHBondContact O-N 3.35Å
219Q97.6Very high98Very high118 Ų11832.6 Ų32.655%0.55118%0.179SC*.Hα-helixtrans-53.9-40.7-174.3-170.361.549.200113.5W221 L222 D223Q219-W221 PolarHBondContact O-N 2.9Å; Q219-L222 WeakPolarHBondContact O-CB 3.44Å; Q219-L222 PolarHBondContact O-N 2.95Å; Q219-L222 VanDerWaalsContact O-N 3.07Å; Q219-D223 PolarHBondContact NE2-OD1 3.01Å; Q219-D223 PolarHBondContact O-N 3.42Å
220A98Very high98Very high61 Ų6135 Ų3550%0.50419%0.191SC..Hα-helixtrans-58.6-32.1178.400000113.4L181 P218 A224L181-A220 HydrophobicContact CD1-CB 4.33Å; P218-A220 VanDerWaalsContact C-N 3.27Å; P218-A220 PolarHBondContact O-N 3.4Å; P218-A220 VanDerWaalsContact O-N 3.14Å; A220-A224 PolarHBondContact O-N 2.89Å
221W98.2Very high98Very high22 Ų2236.4 Ų36.48%0.08320%0.204CC..Hα-helixtrans-76.5-37.9175.9-72.985.5000111.9V165 L168 W169 R180 L181 L217 P218 Q219 D223 A224 Y225V165-W221 HydrophobicContact CG1-CE3 3.98Å; V165-W221 HydrophobicContact CG1-CZ3 4.45Å; L168-W221 HydrophobicContact CB-CH2 4.16Å; L168-W221 HydrophobicContact CB-CZ3 3.99Å; W169-W221 VanDerWaalsContact CA-CZ3 3.44Å; W169-W221 HydrophobicContact CB-CE3 4.08Å; W169-W221 HydrophobicContact CB-CH2 4.18Å; W169-W221 HydrophobicContact CB-CZ3 3.66Å; W169-W221 HydrophobicContact CD2-CE3 4.49Å; W169-W221 AromaticContact CE3-CD2 3.46Å; W169-W221 HydrophobicContact CE3-CD2 3.46Å; W169-W221 VanDerWaalsContact CE3-CD2 3.46Å; W169-W221 AromaticContact CE3-CE2 3.48Å; W169-W221 VanDerWaalsContact CE3-CE2 3.48Å; W169-W221 AromaticContact CE3-CE3 3.71Å; W169-W221 HydrophobicContact CE3-CE3 3.71Å; W169-W221 AromaticContact CE3-CG 3.99Å; W169-W221 HydrophobicContact CE3-CG 3.99Å; W169-W221 HydrophobicContact CE3-CH2 4.01Å; W169-W221 AromaticContact CE3-CZ2 3.77Å; W169-W221 HydrophobicContact CE3-CZ2 3.77Å; W169-W221 AromaticContact CE3-CZ3 3.99Å; W169-W221 HydrophobicContact CE3-CZ3 3.99Å; W169-W221 AromaticContact CE3-NE1 3.96Å; W169-W221 AromaticContact CZ3-CD1 3.86Å; W169-W221 AromaticContact CZ3-CD2 3.88Å; W169-W221 HydrophobicContact CZ3-CD2 3.88Å; W169-W221 AromaticContact CZ3-CE2 3.71Å; W169-W221 AromaticContact CZ3-CG 3.99Å; W169-W221 HydrophobicContact CZ3-CG 3.99Å; W169-W221 HydrophobicContact CZ3-CZ2 4.26Å; W169-W221 AromaticContact CZ3-NE1 3.68Å; W169-W221 VanDerWaalsContact N-CZ3 3.35Å; R180-W221 HydrophobicContact CB-CH2 4.24Å; R180-W221 HydrophobicContact CB-CZ2 4.47Å; L181-W221 HydrophobicContact CD1-CD2 3.78Å; L181-W221 HydrophobicContact CD1-CE3 4.29Å; L181-W221 HydrophobicContact CD1-CG 3.95Å; L181-W221 HydrophobicContact CD1-CZ2 4.35Å; L181-W221 HydrophobicContact CD2-CD2 3.85Å; L181-W221 HydrophobicContact CD2-CE3 3.46Å; L181-W221 VanDerWaalsContact CD2-CE3 3.46Å; L181-W221 HydrophobicContact CD2-CH2 3.94Å; L181-W221 HydrophobicContact CD2-CZ2 4.3Å; L181-W221 HydrophobicContact CD2-CZ3 3.5Å; L181-W221 VanDerWaalsContact CD2-CZ3 3.5Å; L181-W221 HydrophobicContact CG-CD2 3.86Å; L181-W221 HydrophobicContact CG-CE3 3.96Å; L181-W221 HydrophobicContact CG-CH2 3.92Å; L181-W221 HydrophobicContact CG-CZ2 3.83Å; L181-W221 HydrophobicContact CG-CZ3 3.97Å; L217-W221 HydrophobicContact CB-CB 4.29Å; P218-W221 WeakPolarHBondContact O-CB 3.19Å; P218-W221 PolarHBondContact O-N 3.32Å; Q219-W221 PolarHBondContact O-N 2.9Å; W221-D223 VanDerWaalsContact C-N 3.35Å; W221-A224 WeakPolarHBondContact O-CB 3.34Å; W221-A224 PolarHBondContact O-N 3.43Å; W221-Y225 WeakPolarHBondContact O-CD2 3.35Å; W221-Y225 WeakPolarHBondContact O-CE2 3.33Å
222L98.5Very high98Very high14 Ų1436.5 Ų36.57%0.07320%0.204CC..Hα-helixtrans-62.6-44.3172.8-66.3174.2000110.9L217 P218 Q219 A224 Y225 T253L217-L222 HydrophobicContact CB-CD2 4.02Å; L217-L222 HydrophobicContact CB-CG 4.06Å; L217-L222 HydrophobicContact CD1-CD2 4.08Å; P218-L222 PolarHBondContact O-N 3.35Å; Q219-L222 WeakPolarHBondContact O-CB 3.44Å; Q219-L222 PolarHBondContact O-N 2.95Å; Q219-L222 VanDerWaalsContact O-N 3.07Å; L222-A224 PolarHBondContact O-N 3.33Å; L222-Y225 PolarHBondContact O-N 3.05Å; L222-T253 HydrophobicContact CB-CG2 4.28Å; L222-T253 HydrophobicContact CD2-CG2 4.32Å
223D98.2Very high97.8Very high96 Ų9641 Ų4151%0.51323%0.225SC..Hα-helixtrans-64-25.5179.2-65.3-16.5000112.5Q219 W221 Y225 P227Q219-D223 PolarHBondContact NE2-OD1 3.01Å; Q219-D223 PolarHBondContact O-N 3.42Å; W221-D223 VanDerWaalsContact C-N 3.35Å; D223-Y225 VanDerWaalsContact C-N 3.33Å; D223-Y225 PolarHBondContact O-N 3.49Å; D223-P227 WeakPolarHBondContact O-CD 3.27Å
224A98.5Very high97.3Very high10 Ų1044.5 Ų44.58%0.08326%0.261CS..Hα-helixtrans-71.6-22.4179.600000113.9L181 L184 A220 W221 L222 P227 A228L181-A224 HydrophobicContact CD1-CB 4.49Å; L181-A224 HydrophobicContact CD2-CB 3.77Å; L184-A224 HydrophobicContact CD2-CB 4Å; A220-A224 PolarHBondContact O-N 2.89Å; W221-A224 WeakPolarHBondContact O-CB 3.34Å; W221-A224 PolarHBondContact O-N 3.43Å; L222-A224 PolarHBondContact O-N 3.33Å; A224-P227 WeakPolarHBondContact O-CD 3.43Å; A224-P227 WeakPolarHBondContact O-CG 3.47Å; A224-A228 WeakPolarHBondContact O-CB 3.42Å; A224-A228 PolarHBondContact O-N 3.09Å
225Y98.7Very high97.1Very high0 Ų049.7 Ų49.70%029%0.285CS..Hα-helixtrans-64.9-44.8179.8-78.3-91.1000112.3V165 E210 L213 L217 W221 L222 D223 A228 Y229 L257V165-Y225 HydrophobicContact CB-CD1 4.21Å; V165-Y225 HydrophobicContact CB-CE1 3.79Å; V165-Y225 HydrophobicContact CB-CE2 4.15Å; V165-Y225 HydrophobicContact CG1-CD2 4.06Å; V165-Y225 HydrophobicContact CG1-CE1 4.14Å; V165-Y225 HydrophobicContact CG1-CE2 3.56Å; V165-Y225 HydrophobicContact CG2-CD1 4Å; V165-Y225 HydrophobicContact CG2-CD2 4.48Å; V165-Y225 HydrophobicContact CG2-CE1 4.1Å; V165-Y225 HydrophobicContact CG2-CG 4.19Å; E210-Y225 HydrophobicContact CB-CE1 3.91Å; E210-Y225 VanDerWaalsContact CD-CE1 3.48Å; E210-Y225 HydrophobicContact CG-CD1 4.45Å; E210-Y225 HydrophobicContact CG-CE1 3.73Å; E210-Y225 PolarHBondContact OE2-OH 2.98Å; L213-Y225 HydrophobicContact CD1-CD1 4.26Å; L213-Y225 HydrophobicContact CD1-CE1 3.79Å; L213-Y225 HydrophobicContact CD2-CD1 4.03Å; L213-Y225 HydrophobicContact CD2-CD2 3.97Å; L213-Y225 HydrophobicContact CD2-CE1 3.65Å; L213-Y225 HydrophobicContact CD2-CE2 3.59Å; L213-Y225 HydrophobicContact CD2-CG 4.19Å; L213-Y225 VanDerWaalsContact CD2-CZ 3.43Å; L213-Y225 HydrophobicContact CG-CD1 4.31Å; L213-Y225 HydrophobicContact CG-CE1 3.58Å; L213-Y225 HydrophobicContact CG-CE2 4.23Å; L217-Y225 HydrophobicContact CD1-CE2 3.98Å; W221-Y225 WeakPolarHBondContact O-CD2 3.35Å; W221-Y225 WeakPolarHBondContact O-CE2 3.33Å; L222-Y225 PolarHBondContact O-N 3.05Å; D223-Y225 VanDerWaalsContact C-N 3.33Å; D223-Y225 PolarHBondContact O-N 3.49Å; Y225-A228 PolarHBondContact O-N 3.4Å; Y225-Y229 HydrophobicContact CD1-CD2 4.26Å; Y225-Y229 AromaticContact CD1-CE2 3.89Å; Y225-Y229 HydrophobicContact CD1-CE2 3.89Å; Y225-Y229 VanDerWaalsContact O-CD2 3.31Å; Y225-Y229 WeakPolarHBondContact O-CD2 3.47Å; Y225-Y229 PolarHBondContact O-N 2.69Å; Y225-L257 HydrophobicContact CD1-CD1 4.46Å
226K98.3Very high97.1Very high84 Ų8449.3 Ų49.337%0.36528%0.283SS..Hα-helixtrans-57.1-55.5-177.2-175.662.1167.969.20113.1A228 Y229 D230 A256 L257K226-A228 VanDerWaalsContact C-N 3.32Å; K226-A228 PolarHBondContact O-N 3.18Å; K226-Y229 PolarHBondContact O-N 3.21Å; K226-D230 IonicContact NZ-OD1 3.52Å; K226-D230 PolarHBondContact NZ-OD1 2.93Å; K226-D230 IonicContact NZ-OD2 3.83Å; K226-D230 PolarHBondContact NZ-OD2 3.15Å; K226-D230 WeakPolarHBondContact O-CB 3.34Å; K226-D230 PolarHBondContact O-N 2.73Å; K226-A256 VanDerWaalsContact CD-O 3.3Å; K226-A256 WeakPolarHBondContact CD-O 3.42Å; K226-A256 WeakPolarHBondContact CE-O 3.29Å; K226-L257 HydrophobicContact CB-CD2 4.31Å; K226-L257 HydrophobicContact CD-CD2 4.32Å
227P97.8Very high97.2Very high65 Ų6548.7 Ų48.742%0.42228%0.279SS..Hα-helixtrans-64.8-34.3177.925.7-33.7000112.8D223 A224 A231D223-P227 WeakPolarHBondContact O-CD 3.27Å; A224-P227 WeakPolarHBondContact O-CD 3.43Å; A224-P227 WeakPolarHBondContact O-CG 3.47Å; P227-A231 PolarHBondContact O-N 3.42Å; P227-A231 VanDerWaalsContact O-N 3.12Å
228A98.6Very high97.3Very high0 Ų048 Ų480%028%0.275CS..Hα-helixtrans-59.2-52.9175.100000111.1P164 V165 L184 L188 A224 Y225 K226 A231 L232P164-A228 HydrophobicContact CG-CB 4.33Å; V165-A228 HydrophobicContact CG2-CB 4.02Å; L184-A228 HydrophobicContact CD1-CB 4.04Å; L184-A228 HydrophobicContact CD2-CB 4.18Å; L188-A228 HydrophobicContact CD2-CB 4.16Å; A224-A228 WeakPolarHBondContact O-CB 3.42Å; A224-A228 PolarHBondContact O-N 3.09Å; Y225-A228 PolarHBondContact O-N 3.4Å; K226-A228 VanDerWaalsContact C-N 3.32Å; K226-A228 PolarHBondContact O-N 3.18Å; A228-A231 WeakPolarHBondContact O-CB 3.19Å; A228-A231 PolarHBondContact O-N 2.88Å; A228-A231 VanDerWaalsContact O-N 3.17Å; A228-L232 WeakPolarHBondContact O-CG 3.35Å; A228-L232 PolarHBondContact O-N 3.19Å
229Y98.7Very high97.4Very high0 Ų044.6 Ų44.60%025%0.254CS..Hα-helixtrans-75.5-27.3-177.1-79.6-92.9000113I208 E210 Y225 K226 A231 L232 Q233 L238 L240 L257 P258 V259I208-Y229 HydrophobicContact CD1-CE1 4.15Å; I208-Y229 WeakPolarHBondContact CD1-OH 3.48Å; I208-Y229 WeakPolarHBondContact CG1-OH 3.38Å; I208-Y229 HydrophobicContact CG2-CE1 3.8Å; I208-Y229 WeakPolarHBondContact CG2-OH 3.33Å; E210-Y229 HydrophobicContact CG-CE2 4.12Å; E210-Y229 WeakPolarHBondContact CG-OH 3.46Å; E210-Y229 PolarHBondContact OE1-OH 3.22Å; Y225-Y229 HydrophobicContact CD1-CD2 4.26Å; Y225-Y229 AromaticContact CD1-CE2 3.89Å; Y225-Y229 HydrophobicContact CD1-CE2 3.89Å; Y225-Y229 VanDerWaalsContact O-CD2 3.31Å; Y225-Y229 WeakPolarHBondContact O-CD2 3.47Å; Y225-Y229 PolarHBondContact O-N 2.69Å; K226-Y229 PolarHBondContact O-N 3.21Å; Y229-A231 PolarHBondContact O-N 2.99Å; Y229-L232 PolarHBondContact O-N 3.06Å; Y229-Q233 PolarHBondContact O-N 3.01Å; Y229-Q233 VanDerWaalsContact O-N 3.09Å; Y229-L238 HydrophobicContact CD1-CD1 4.07Å; Y229-L238 HydrophobicContact CE1-CD1 4.2Å; Y229-L240 HydrophobicContact CE1-CD1 3.85Å; Y229-L240 HydrophobicContact CE2-CD1 4.27Å; Y229-L240 WeakPolarHBondContact OH-CD1 3.31Å; Y229-L257 HydrophobicContact CD2-CD1 4.25Å; Y229-L257 HydrophobicContact CG-CD1 4.4Å; Y229-P258 WeakPolarHBondContact O-CG 3.22Å; Y229-V259 HydrophobicContact CD1-CG1 3.43Å; Y229-V259 VanDerWaalsContact CD1-CG1 3.43Å; Y229-V259 HydrophobicContact CE1-CG1 3.8Å; Y229-V259 HydrophobicContact CG-CG1 4.35Å
230D98.3Very high97.5Very high59 Ų5939 Ų3932%0.31623%0.227SC..Hα-helixtrans-59.1-37.3167.3-75.6-23.3000111.9K226 Q233 P258K226-D230 IonicContact NZ-OD1 3.52Å; K226-D230 PolarHBondContact NZ-OD1 2.93Å; K226-D230 IonicContact NZ-OD2 3.83Å; K226-D230 PolarHBondContact NZ-OD2 3.15Å; K226-D230 WeakPolarHBondContact O-CB 3.34Å; K226-D230 PolarHBondContact O-N 2.73Å; D230-Q233 WeakPolarHBondContact O-CG 3.41Å; D230-Q233 PolarHBondContact O-NE2 3.41Å; D230-P258 WeakPolarHBondContact OD1-CG 3.37Å
231A98.1Very high97.6Very high31 Ų3136.1 Ų36.126%0.25620%0.203SC..Hα-helixtrans-75.5-27.6176.600000113.2L188 Q192 P227 A228 Y229L188-A231 HydrophobicContact CD1-CB 3.97Å; L188-A231 HydrophobicContact CD2-CB 4.45Å; Q192-A231 PolarHBondContact NE2-O 2.81Å; P227-A231 PolarHBondContact O-N 3.42Å; P227-A231 VanDerWaalsContact O-N 3.12Å; A228-A231 WeakPolarHBondContact O-CB 3.19Å; A228-A231 PolarHBondContact O-N 2.88Å; A228-A231 VanDerWaalsContact O-N 3.17Å; Y229-A231 PolarHBondContact O-N 2.99Å
232L98.2Very high97.6Very high2 Ų235 Ų351%0.0120%0.2CC..Hα-helixtrans-90.3-12.8-176.6-62.7-175.8000114.5P164 L188 Q192 L195 I208 A228 Y229 L238P164-L232 HydrophobicContact CG-CD1 4.08Å; L188-L232 HydrophobicContact CD2-CD1 4.3Å; L188-L232 HydrophobicContact CD2-CD2 3.93Å; L188-L232 HydrophobicContact CD2-CG 3.98Å; Q192-L232 HydrophobicContact CG-CD2 4Å; L195-L232 HydrophobicContact CD1-CB 4Å; L195-L232 HydrophobicContact CD1-CD2 4.06Å; L195-L232 HydrophobicContact CD1-CG 4.44Å; I208-L232 HydrophobicContact CD1-CD1 3.96Å; A228-L232 WeakPolarHBondContact O-CG 3.35Å; A228-L232 PolarHBondContact O-N 3.19Å; Y229-L232 PolarHBondContact O-N 3.06Å; L232-L238 HydrophobicContact CB-CD1 4.13Å
233Q94.4Very high97.6Very high95 Ų9534.7 Ų34.744%0.44420%0.197SC..THydrogen-bonded Turntrans-64.2150.8-176.776.9-172.8-69.300113.4Y229 D230 P258Y229-Q233 PolarHBondContact O-N 3.01Å; Y229-Q233 VanDerWaalsContact O-N 3.09Å; D230-Q233 WeakPolarHBondContact O-CG 3.41Å; D230-Q233 PolarHBondContact O-NE2 3.41Å; Q233-P258 HydrophobicContact CB-CB 4.15Å; Q233-P258 HydrophobicContact CB-CG 4.1Å
234G89.7Confident97.6Very high72 Ų7230.3 Ų30.374%0.74217%0.174SC*.THydrogen-bonded Turntrans102-18.9160.300000117.7
235Q92.7Very high97.6Very high109 Ų10930.8 Ų30.851%0.50917%0.174SC..SBendtrans-83.9-42.2179.6-64.2-66.8-14.100112.9L195 A196 A199L195-Q235 HydrophobicContact CB-CB 4.24Å; A196-Q235 HydrophobicContact CB-CG 4.46Å; A199-Q235 HydrophobicContact CB-CB 4.49Å; A199-Q235 WeakPolarHBondContact CB-O 3.32Å
236V97.7Very high97.5Very high14 Ų1430.8 Ų30.89%0.08517%0.174CC..SBendtrans-145162-179.9-650000107.9L195 A199 I203 V206 L238L195-V236 HydrophobicContact CB-CG2 4.33Å; L195-V236 HydrophobicContact CD2-CG2 3.83Å; A199-V236 HydrophobicContact CB-CG1 3.74Å; I203-V236 WeakPolarHBondContact O-CG1 3.4Å; V206-V236 HydrophobicContact CB-CG2 4.14Å; V206-V236 HydrophobicContact CG2-CB 4.29Å; V206-V236 HydrophobicContact CG2-CG2 3.68Å; V236-L238 HydrophobicContact CG2-CD2 3.98Å
237K98.4Very high97.4Very high84 Ų8426.8 Ų26.837%0.36516%0.157SC..EExtended strand (participates in β ladder)trans-74.3135.5171.1-62-178.5-178167.30109.8E204 W205 V206 Q260E204-K237 HydrophobicContact CG-CD 4.21Å; E204-K237 WeakPolarHBondContact O-CB 3.23Å; E204-K237 PolarHBondContact O-N 3.28Å; E204-K237 WeakPolarHBondContact OE1-CE 3.41Å; E204-K237 IonicContact OE1-NZ 3.85Å; E204-K237 PolarHBondContact OE1-NZ 3.46Å; W205-K237 WeakPolarHBondContact CA-O 3.2Å; W205-K237 HydrophobicContact CD2-CB 3.63Å; W205-K237 HydrophobicContact CD2-CD 4.15Å; W205-K237 HydrophobicContact CE3-CB 3.53Å; W205-K237 HydrophobicContact CG-CB 4.26Å; W205-K237 HydrophobicContact CH2-CB 4.06Å; W205-K237 HydrophobicContact CH2-CD 4.04Å; W205-K237 HydrophobicContact CZ2-CB 4.13Å; W205-K237 HydrophobicContact CZ2-CD 3.48Å; W205-K237 VanDerWaalsContact CZ2-CD 3.48Å; W205-K237 HydrophobicContact CZ2-CG 4.45Å; W205-K237 HydrophobicContact CZ3-CB 3.76Å; V206-K237 PolarHBondContact N-O 2.85Å; K237-Q260 VanDerWaalsContact CA-OE1 3.27Å; K237-Q260 HydrophobicContact CB-CB 4.14Å; K237-Q260 HydrophobicContact CB-CG 4.26Å; K237-Q260 HydrophobicContact CG-CB 4.36Å; K237-Q260 HydrophobicContact CG-CG 4.14Å
238L98.7Very high97.3Very high1 Ų126.4 Ų26.41%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-104.4123.4179.2-59.1-179000110.1L195 V206 I208 Y229 L232 V236 V259 Q260 G261L195-L238 HydrophobicContact CD1-CD2 4.3Å; L195-L238 HydrophobicContact CD2-CD2 4.15Å; V206-L238 HydrophobicContact CB-CD2 4.22Å; I208-L238 HydrophobicContact CG2-CB 4.3Å; Y229-L238 HydrophobicContact CD1-CD1 4.07Å; Y229-L238 HydrophobicContact CE1-CD1 4.2Å; L232-L238 HydrophobicContact CB-CD1 4.13Å; V236-L238 HydrophobicContact CG2-CD2 3.98Å; L238-V259 HydrophobicContact CB-CB 4.34Å; L238-V259 HydrophobicContact CB-CG1 4.1Å; L238-Q260 PolarHBondContact O-N 3Å; L238-Q260 VanDerWaalsContact O-N 3.15Å; L238-G261 PolarHBondContact O-N 3.24Å
239L98.8Very high97.1Very high0 Ų030 Ų300%018%0.177CC..EExtended strand (participates in β ladder)trans-94.797.6165.8177.566.8000107.9K158 W205 V206 I208 T241 H263 L285 W318K158-L239 HydrophobicContact CD-CD2 4.25Å; W205-L239 HydrophobicContact CE3-CB 4.02Å; W205-L239 HydrophobicContact CZ3-CB 4.23Å; V206-L239 PolarHBondContact O-N 3.14Å; I208-L239 PolarHBondContact N-O 3.21Å; L239-T241 PolarHBondContact O-N 2.83Å; L239-T241 PolarHBondContact O-OG1 3.46Å; L239-H263 HydrophobicContact CD1-CB 4.34Å; L239-H263 HydrophobicContact CG-CB 4.42Å; L239-L285 HydrophobicContact CD1-CD2 4.36Å; L239-W318 HydrophobicContact CD2-CE3 4.43Å; L239-W318 HydrophobicContact CD2-CZ3 4.19Å
240L98.9Very high97Very high0 Ų030.8 Ų30.80%018%0.181CC..EExtended strand (participates in β ladder)trans-65121.4174.8-17370.4000108.7I208 E210 L213 Y229 I254 L257 V259 G261 L262 H263I208-L240 HydrophobicContact CG2-CD1 4.33Å; E210-L240 HydrophobicContact CB-CD1 3.9Å; E210-L240 HydrophobicContact CG-CD1 3.81Å; L213-L240 HydrophobicContact CD1-CD1 4.17Å; L213-L240 HydrophobicContact CD1-CD2 3.81Å; L213-L240 HydrophobicContact CD1-CG 4.17Å; Y229-L240 HydrophobicContact CE1-CD1 3.85Å; Y229-L240 HydrophobicContact CE2-CD1 4.27Å; Y229-L240 WeakPolarHBondContact OH-CD1 3.31Å; L240-I254 HydrophobicContact CD2-CG1 4.34Å; L240-I254 HydrophobicContact CD2-CG2 3.98Å; L240-L257 HydrophobicContact CD2-CD1 3.79Å; L240-V259 HydrophobicContact CB-CB 4.49Å; L240-V259 HydrophobicContact CB-CG1 4.34Å; L240-V259 HydrophobicContact CB-CG2 4.15Å; L240-G261 PolarHBondContact N-O 3.13Å; L240-L262 HydrophobicContact CB-CD1 4.33Å; L240-L262 HydrophobicContact CD2-CD1 4.14Å; L240-L262 HydrophobicContact CG-CD1 4.36Å; L240-L262 CarbonylContact O-C 3.51Å; L240-L262 WeakPolarHBondContact O-CA 3.47Å; L240-H263 PolarHBondContact O-N 3.49Å
241T99Very high96.9Very high0 Ų028 Ų280%017%0.166CC..EExtended strand (participates in β ladder)trans-120.5123.8-167.9-63.40000111.7L8 Q207 I208 D209 E210 L239 Y243 H263L8-T241 HydrophobicContact CD2-CG2 3.58Å; L8-T241 HydrophobicContact CG-CG2 4.01Å; Q207-T241 HydrophobicContact CG-CG2 4.18Å; Q207-T241 WeakPolarHBondContact CG-OG1 3.17Å; I208-T241 PolarHBondContact O-N 2.94Å; D209-T241 WeakPolarHBondContact OD1-CB 3.22Å; D209-T241 WeakPolarHBondContact OD1-CG2 3.43Å; E210-T241 CarbonylContact C-O 3.58Å; E210-T241 PolarHBondContact N-O 2.9Å; L239-T241 PolarHBondContact O-N 2.83Å; L239-T241 PolarHBondContact O-OG1 3.46Å; T241-Y243 HydrophobicContact CG2-CD1 3.88Å; T241-Y243 HydrophobicContact CG2-CE1 3.92Å; T241-H263 HydrophobicContact CG2-CB 4Å
242T98.9Very high96.9Very high0 Ų032 Ų320%018%0.183CC..  trans-127.6148.2-178.766.80000110L213 V247 L262 H263L213-T242 HydrophobicContact CB-CG2 3.96Å; L213-T242 HydrophobicContact CD1-CG2 4.13Å; T242-V247 HydrophobicContact CG2-CG1 3.86Å; T242-V247 WeakPolarHBondContact OG1-CG1 3.32Å; T242-L262 HydrophobicContact CG2-CD1 4.41Å; T242-H263 PolarHBondContact N-O 3.08Å; T242-H263 PolarHBondContact O-CD2 3.2Å; T242-H263 PolarHBondContact OG1-O 2.9Å
243Y98.8Very high96.9Very high6 Ų633.5 Ų33.52%0.02419%0.192CC..  trans-159.2171.1-178.138.9-106.1000113.2L8 W118 D209 P211 T241 E245 S322 C323L8-Y243 HydrophobicContact CD2-CD1 3.79Å; L8-Y243 HydrophobicContact CD2-CE1 4.33Å; W118-Y243 HydrophobicContact CZ2-CE2 4.11Å; W118-Y243 WeakPolarHBondContact CZ2-OH 3.5Å; D209-Y243 HydrophobicContact CB-CE1 4.35Å; D209-Y243 VanDerWaalsContact OD2-CE1 3.28Å; D209-Y243 WeakPolarHBondContact OD2-CE1 3.35Å; D209-Y243 PolarHBondContact OD2-OH 3.37Å; P211-Y243 HydrophobicContact CB-CD2 3.89Å; P211-Y243 HydrophobicContact CB-CE2 3.44Å; P211-Y243 VanDerWaalsContact CB-CE2 3.44Å; P211-Y243 HydrophobicContact CG-CE2 3.83Å; T241-Y243 HydrophobicContact CG2-CD1 3.88Å; T241-Y243 HydrophobicContact CG2-CE1 3.92Å; Y243-E245 PolarHBondContact O-N 3.23Å; Y243-S322 VanDerWaalsContact CB-O 3.28Å; Y243-S322 WeakPolarHBondContact CB-O 3.29Å; Y243-C323 HydrophobicContact CD2-CB 4.4Å; Y243-C323 HydrophobicContact CG-CB 4.02Å
244F98.2Very high97Very high4 Ų429 Ų292%0.01817%0.171CC..SBendtrans75.2-11.7-179.2-48.2-35.6000115.9W118 F119 T121 D265 R294 C323 H327 L609W118-F244 AromaticContact CD1-CE2 3.69Å; W118-F244 AromaticContact CD1-CZ 3.89Å; W118-F244 AromaticContact NE1-CE2 3.44Å; W118-F244 AromaticContact NE1-CZ 3.67Å; F119-F244 HydrophobicContact CB-CD2 3.66Å; F119-F244 HydrophobicContact CB-CE2 3.9Å; F119-F244 HydrophobicContact CD2-CD2 4.29Å; F119-F244 HydrophobicContact CD2-CE2 4.09Å; F119-F244 AromaticContact CG-CD2 3.96Å; F119-F244 HydrophobicContact CG-CD2 3.96Å; F119-F244 HydrophobicContact CG-CE2 4.17Å; T121-F244 HydrophobicContact CG2-CD2 4.44Å; T121-F244 HydrophobicContact CG2-CE1 4.08Å; T121-F244 HydrophobicContact CG2-CE2 3.84Å; T121-F244 HydrophobicContact CG2-CZ 3.64Å; F244-D265 WeakPolarHBondContact CA-OD2 3.13Å; F244-D265 PolarHBondContact N-OD2 3.23Å; F244-R294 HydrophobicContact CD1-CG 4.21Å; F244-R294 HydrophobicContact CE1-CG 4.16Å; F244-C323 HydrophobicContact CD1-CB 3.97Å; F244-C323 HydrophobicContact CE1-CB 3.46Å; F244-C323 VanDerWaalsContact CE1-CB 3.46Å; F244-C323 HydrophobicContact CZ-CB 4.36Å; F244-H327 AromaticContact CZ-NE2 3.62Å; F244-L609 HydrophobicContact CB-CD1 3.6Å; F244-L609 HydrophobicContact CD2-CD1 4.47Å
245E97.7Very high97.4Very high20 Ų2027.4 Ų27.49%0.09315%0.147CC..SBendtrans-161.9168175.5-179.556.2-95.600108.7V214 Y243 L609 R610V214-E245 HydrophobicContact CB-CB 3.84Å; V214-E245 HydrophobicContact CB-CG 4.39Å; V214-E245 WeakPolarHBondContact CG1-O 3.32Å; V214-E245 HydrophobicContact CG2-CB 3.8Å; Y243-E245 PolarHBondContact O-N 3.23Å; E245-L609 HydrophobicContact CB-CB 4.5Å; E245-L609 HydrophobicContact CB-CD1 4.18Å; E245-R610 HydrophobicContact CG-CG 4.39Å; E245-R610 IonicContact OE1-CZ 2.66Å; E245-R610 IonicContact OE1-NH2 3.86Å
246G96.5Very high97.6Very high0 Ų025 Ų250%015%0.146CC..  trans-75.4166.817800000114D271 R610G246-D271 WeakPolarHBondContact CA-OD2 3.45Å; G246-R610 VanDerWaalsContact C-NH2 3.32Å; G246-R610 PolarHBondContact O-NH2 3.27Å
247V97.4Very high97.7Very high0 Ų024.6 Ų24.60%014%0.143CC..  trans-106.9-9.1-177.3-64.90000114.3V214 T242 P249 N250 L251 I254 L262 V264 D271 L276V214-V247 HydrophobicContact CG1-CG1 4.41Å; T242-V247 HydrophobicContact CG2-CG1 3.86Å; T242-V247 WeakPolarHBondContact OG1-CG1 3.32Å; V247-P249 VanDerWaalsContact C-N 3.31Å; V247-P249 VanDerWaalsContact O-N 3.09Å; V247-N250 CarbonylContact O-C 3.48Å; V247-N250 PolarHBondContact O-N 3.43Å; V247-L251 HydrophobicContact CG2-CD1 4.29Å; V247-L251 PolarHBondContact O-N 2.88Å; V247-L251 VanDerWaalsContact O-N 3.17Å; V247-I254 HydrophobicContact CB-CD1 3.74Å; V247-I254 HydrophobicContact CG1-CD1 3.99Å; V247-I254 HydrophobicContact CG2-CD1 4.49Å; V247-L262 HydrophobicContact CG2-CD2 4.35Å; V247-V264 HydrophobicContact CG2-CG1 4.08Å; V247-V264 HydrophobicContact CG2-CG2 3.95Å; V247-D271 PolarHBondContact N-OD1 3.17Å; V247-D271 PolarHBondContact N-OD2 2.92Å; V247-L276 HydrophobicContact CG2-CD2 4.01Å
248T95Very high97.6Very high58 Ų5821.9 Ų21.936%0.35613%0.134SC..G310 helixtrans-46.3-44.5-173.1-68.60000114.5N250 L251 D271T248-N250 VanDerWaalsContact C-N 3.26Å; T248-N250 PolarHBondContact O-N 3.29Å; T248-L251 WeakPolarHBondContact O-CB 3.33Å; T248-L251 PolarHBondContact O-N 2.86Å; T248-D271 WeakPolarHBondContact CB-OD1 3.25Å; T248-D271 PolarHBondContact N-OD1 3.2Å; T248-D271 PolarHBondContact OG1-OD1 2.78Å
249P94.5Very high97.6Very high76 Ų7622 Ų2249%0.49414%0.135SC..G310 helixtrans-61.7-30.4-180-2536.2000114.5V247 R610V247-P249 VanDerWaalsContact C-N 3.31Å; V247-P249 VanDerWaalsContact O-N 3.09Å; P249-R610 VanDerWaalsContact CD-NH2 3.27Å; P249-R610 VanDerWaalsContact CG-CZ 3.5Å
250N97Very high97.6Very high16 Ų1624.8 Ų24.89%0.08615%0.148CC..G310 helixtrans-107.915.2-177-66.2-37.9000112.5L213 L215 V247 T248 D252 T253 I254L213-N250 PolarHBondContact O-ND2 3Å; L215-N250 PolarHBondContact O-ND2 2.97Å; V247-N250 CarbonylContact O-C 3.48Å; V247-N250 PolarHBondContact O-N 3.43Å; T248-N250 VanDerWaalsContact C-N 3.26Å; T248-N250 PolarHBondContact O-N 3.29Å; N250-D252 VanDerWaalsContact C-N 3.29Å; N250-D252 PolarHBondContact O-N 3.22Å; N250-T253 WeakPolarHBondContact O-CB 2.94Å; N250-T253 PolarHBondContact O-N 2.95Å; N250-I254 WeakPolarHBondContact O-CG1 3.4Å; N250-I254 PolarHBondContact O-N 3.2Å
251L96.6Very high97.5Very high1 Ų124.8 Ų24.81%0.00515%0.148CC..Hα-helixtrans-66.1-29.6-173.2-166.959.5000113V247 T248 I254 T255 L262 L276 R279 L280V247-L251 HydrophobicContact CG2-CD1 4.29Å; V247-L251 PolarHBondContact O-N 2.88Å; V247-L251 VanDerWaalsContact O-N 3.17Å; T248-L251 WeakPolarHBondContact O-CB 3.33Å; T248-L251 PolarHBondContact O-N 2.86Å; L251-I254 HydrophobicContact CD1-CG2 4.48Å; L251-I254 PolarHBondContact O-N 2.84Å; L251-T255 HydrophobicContact CD1-CG2 4.12Å; L251-T255 HydrophobicContact CG-CG2 4.14Å; L251-T255 WeakPolarHBondContact O-CB 3.28Å; L251-T255 VanDerWaalsContact O-CG2 3.28Å; L251-T255 WeakPolarHBondContact O-CG2 3.22Å; L251-T255 PolarHBondContact O-N 2.82Å; L251-T255 PolarHBondContact O-OG1 3.34Å; L251-L262 HydrophobicContact CD1-CD2 4.42Å; L251-L276 HydrophobicContact CD1-CD2 4.29Å; L251-L276 HydrophobicContact CD2-CD2 4.06Å; L251-R279 HydrophobicContact CD2-CB 3.8Å; L251-R279 HydrophobicContact CD2-CG 4.45Å; L251-L280 HydrophobicContact CD1-CD2 3.9Å
252D96.9Very high97.5Very high114 Ų11424.8 Ų24.861%0.6115%0.148SC*.Hα-helixtrans-67.1-41.9175.3-67.3-34000111.6N250 T255 A256 R279N250-D252 VanDerWaalsContact C-N 3.29Å; N250-D252 PolarHBondContact O-N 3.22Å; D252-T255 PolarHBondContact O-OG1 2.88Å; D252-A256 PolarHBondContact O-N 2.86Å; D252-R279 VanDerWaalsContact CG-NH2 3.31Å; D252-R279 IonicContact OD1-CZ 3.51Å; D252-R279 IonicContact OD1-NH2 3.72Å; D252-R279 PolarHBondContact OD1-NH2 2.89Å; D252-R279 IonicContact OD2-NH2 3.64Å
253T98.1Very high97.5Very high33 Ų3324.8 Ų24.820%0.20215%0.148CC..Hα-helixtrans-61.6-46.3172.8-56.90000110.6L222 N250 A256 L257L222-T253 HydrophobicContact CB-CG2 4.28Å; L222-T253 HydrophobicContact CD2-CG2 4.32Å; N250-T253 WeakPolarHBondContact O-CB 2.94Å; N250-T253 PolarHBondContact O-N 2.95Å; T253-A256 PolarHBondContact O-N 3.43Å; T253-L257 WeakPolarHBondContact O-CG 3.44Å
254I98.4Very high97.5Very high0 Ų024.5 Ų24.50%015%0.147CC..Hα-helixtrans-61.9-51.2-178.3-71.2165.9000111.1L213 L240 V247 N250 L251 A256 L257 L262 W284L213-I254 HydrophobicContact CD1-CD1 4.41Å; L213-I254 HydrophobicContact CD1-CG1 4.06Å; L213-I254 HydrophobicContact CD2-CG1 4.29Å; L240-I254 HydrophobicContact CD2-CG1 4.34Å; L240-I254 HydrophobicContact CD2-CG2 3.98Å; V247-I254 HydrophobicContact CB-CD1 3.74Å; V247-I254 HydrophobicContact CG1-CD1 3.99Å; V247-I254 HydrophobicContact CG2-CD1 4.49Å; N250-I254 WeakPolarHBondContact O-CG1 3.4Å; N250-I254 PolarHBondContact O-N 3.2Å; L251-I254 HydrophobicContact CD1-CG2 4.48Å; L251-I254 PolarHBondContact O-N 2.84Å; I254-A256 PolarHBondContact O-N 2.95Å; I254-A256 VanDerWaalsContact O-N 3.13Å; I254-L257 WeakPolarHBondContact O-CB 3.27Å; I254-L257 WeakPolarHBondContact O-CG 3.37Å; I254-L257 PolarHBondContact O-N 3.3Å; I254-L262 HydrophobicContact CG2-CD1 3.97Å; I254-L262 HydrophobicContact CG2-CD2 4Å; I254-W284 HydrophobicContact CG2-CH2 4.23Å; I254-W284 HydrophobicContact CG2-CZ3 4Å; I254-W284 VanDerWaalsContact O-CH2 3.31Å; I254-W284 WeakPolarHBondContact O-CH2 3.19Å
255T97.7Very high97.6Very high39 Ų3924.3 Ų24.324%0.23915%0.146CC..Hα-helixtrans-67.5-13.7-174.752.80000113.8L251 D252 L280L251-T255 HydrophobicContact CD1-CG2 4.12Å; L251-T255 HydrophobicContact CG-CG2 4.14Å; L251-T255 WeakPolarHBondContact O-CB 3.28Å; L251-T255 VanDerWaalsContact O-CG2 3.28Å; L251-T255 WeakPolarHBondContact O-CG2 3.22Å; L251-T255 PolarHBondContact O-N 2.82Å; L251-T255 PolarHBondContact O-OG1 3.34Å; D252-T255 PolarHBondContact O-OG1 2.88Å; T255-L280 HydrophobicContact CG2-CD2 3.98Å
256A97.3Very high97.6Very high58 Ų5823.7 Ų23.748%0.47914%0.143SC..THydrogen-bonded Turntrans-83.3-9.8173.400000114.3K226 D252 T253 I254K226-A256 VanDerWaalsContact CD-O 3.3Å; K226-A256 WeakPolarHBondContact CD-O 3.42Å; K226-A256 WeakPolarHBondContact CE-O 3.29Å; D252-A256 PolarHBondContact O-N 2.86Å; T253-A256 PolarHBondContact O-N 3.43Å; I254-A256 PolarHBondContact O-N 2.95Å; I254-A256 VanDerWaalsContact O-N 3.13Å
257L98.3Very high97.6Very high6 Ų625.6 Ų25.63%0.03116%0.155CC..SBendtrans-81.5145.1-175.5-55.2-179.4000112.2Y225 K226 Y229 L240 T253 I254 V259 W284Y225-L257 HydrophobicContact CD1-CD1 4.46Å; K226-L257 HydrophobicContact CB-CD2 4.31Å; K226-L257 HydrophobicContact CD-CD2 4.32Å; Y229-L257 HydrophobicContact CD2-CD1 4.25Å; Y229-L257 HydrophobicContact CG-CD1 4.4Å; L240-L257 HydrophobicContact CD2-CD1 3.79Å; T253-L257 WeakPolarHBondContact O-CG 3.44Å; I254-L257 WeakPolarHBondContact O-CB 3.27Å; I254-L257 WeakPolarHBondContact O-CG 3.37Å; I254-L257 PolarHBondContact O-N 3.3Å; L257-V259 HydrophobicContact CB-CG1 4.32Å; L257-V259 HydrophobicContact CB-CG2 4.35Å; L257-V259 PolarHBondContact O-N 3.49Å; L257-W284 WeakPolarHBondContact O-CZ2 3.3Å
258P97.4Very high97.5Very high28 Ų2829 Ų2918%0.18217%0.171CC..  trans-80.145.5177.835.8-39.8000113.2Y229 D230 Q233 Q260Y229-P258 WeakPolarHBondContact O-CG 3.22Å; D230-P258 WeakPolarHBondContact OD1-CG 3.37Å; Q233-P258 HydrophobicContact CB-CB 4.15Å; Q233-P258 HydrophobicContact CB-CG 4.1Å; P258-Q260 PolarHBondContact O-NE2 3.42Å
259V98.2Very high97.5Very high4 Ų426.8 Ų26.82%0.02416%0.159CC..  trans-93.2171.8174.6-60.50000111Y229 L238 L240 L257 W284Y229-V259 HydrophobicContact CD1-CG1 3.43Å; Y229-V259 VanDerWaalsContact CD1-CG1 3.43Å; Y229-V259 HydrophobicContact CE1-CG1 3.8Å; Y229-V259 HydrophobicContact CG-CG1 4.35Å; L238-V259 HydrophobicContact CB-CB 4.34Å; L238-V259 HydrophobicContact CB-CG1 4.1Å; L240-V259 HydrophobicContact CB-CB 4.49Å; L240-V259 HydrophobicContact CB-CG1 4.34Å; L240-V259 HydrophobicContact CB-CG2 4.15Å; L257-V259 HydrophobicContact CB-CG1 4.32Å; L257-V259 HydrophobicContact CB-CG2 4.35Å; L257-V259 PolarHBondContact O-N 3.49Å; V259-W284 HydrophobicContact CG2-CH2 3.36Å; V259-W284 HydrophobicContact CG2-CZ2 3.43Å; V259-W284 VanDerWaalsContact CG2-CZ2 3.43Å; V259-W284 HydrophobicContact CG2-CZ3 3.98Å; V259-W284 PolarHBondContact O-NE1 2.9Å
260Q98.2Very high97.5Very high57 Ų5731.5 Ų31.527%0.26617%0.172SC..SBendtrans-115.2-7-175.3-66.971.348.100112.7W205 K237 L238 P258 W284 L285W205-Q260 HydrophobicContact CH2-CB 3.67Å; W205-Q260 HydrophobicContact CZ3-CB 3.88Å; K237-Q260 VanDerWaalsContact CA-OE1 3.27Å; K237-Q260 HydrophobicContact CB-CB 4.14Å; K237-Q260 HydrophobicContact CB-CG 4.26Å; K237-Q260 HydrophobicContact CG-CB 4.36Å; K237-Q260 HydrophobicContact CG-CG 4.14Å; L238-Q260 PolarHBondContact O-N 3Å; L238-Q260 VanDerWaalsContact O-N 3.15Å; P258-Q260 PolarHBondContact O-NE2 3.42Å; Q260-W284 WeakPolarHBondContact O-CA 3.26Å; Q260-L285 PolarHBondContact O-N 3.29Å
261G98.4Very high97.4Very high0 Ų031.4 Ų31.40%017%0.171CC..EExtended strand (participates in β ladder)trans-164.9163.3172.200000112.8L238 L240 L285L238-G261 PolarHBondContact O-N 3.24Å; L240-G261 PolarHBondContact N-O 3.13Å; G261-L285 CarbonylContact C-O 3.47Å; G261-L285 WeakPolarHBondContact CA-O 3.46Å
262L98.8Very high97.4Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-126.7131.8177.8177.966.9000109.7L240 T242 V247 L251 I254 V264 L280 W284 L285 S287L240-L262 HydrophobicContact CB-CD1 4.33Å; L240-L262 HydrophobicContact CD2-CD1 4.14Å; L240-L262 HydrophobicContact CG-CD1 4.36Å; L240-L262 CarbonylContact O-C 3.51Å; L240-L262 WeakPolarHBondContact O-CA 3.47Å; T242-L262 HydrophobicContact CG2-CD1 4.41Å; V247-L262 HydrophobicContact CG2-CD2 4.35Å; L251-L262 HydrophobicContact CD1-CD2 4.42Å; I254-L262 HydrophobicContact CG2-CD1 3.97Å; I254-L262 HydrophobicContact CG2-CD2 4Å; L262-V264 HydrophobicContact CD2-CG2 3.61Å; L262-V264 HydrophobicContact CG-CG2 3.71Å; L262-L280 HydrophobicContact CD2-CD1 4.27Å; L262-L280 HydrophobicContact CD2-CD2 3.63Å; L262-W284 HydrophobicContact CB-CE3 4.15Å; L262-W284 HydrophobicContact CB-CZ3 4.14Å; L262-L285 PolarHBondContact N-O 2.48Å; L262-S287 PolarHBondContact O-N 3.38Å
263H98.9Very high97.4Very high0 Ų031.2 Ų31.20%017%0.171CC..EExtended strand (participates in β ladder)trans-98.6132.6163.7175.386.9000110.6L8 L239 L240 T241 T242 S287 G289 S321 S322L8-H263 VanDerWaalsContact CD2-NE2 3.33Å; L8-H263 WeakPolarHBondContact CD2-NE2 3.37Å; L239-H263 HydrophobicContact CD1-CB 4.34Å; L239-H263 HydrophobicContact CG-CB 4.42Å; L240-H263 PolarHBondContact O-N 3.49Å; T241-H263 HydrophobicContact CG2-CB 4Å; T242-H263 PolarHBondContact N-O 3.08Å; T242-H263 PolarHBondContact O-CD2 3.2Å; T242-H263 PolarHBondContact OG1-O 2.9Å; H263-S287 WeakPolarHBondContact CA-O 3.15Å; H263-S287 PolarHBondContact ND1-O 2.84Å; H263-S287 PolarHBondContact ND1-OG 3.47Å; H263-G289 VanDerWaalsContact CE1-CA 3.48Å; H263-G289 WeakPolarHBondContact CE1-CA 3.4Å; H263-S321 PolarHBondContact CE1-O 2.9Å; H263-S322 PolarHBondContact NE2-O 2.92Å
264V98.7Very high97.2Very high0 Ų031.9 Ų31.90%018%0.18CC..EExtended strand (participates in β ladder)trans-127.8135.5-180-173.40000110.1V247 L262 L266 D271 L276 L286 S287 G289V247-V264 HydrophobicContact CG2-CG1 4.08Å; V247-V264 HydrophobicContact CG2-CG2 3.95Å; L262-V264 HydrophobicContact CD2-CG2 3.61Å; L262-V264 HydrophobicContact CG-CG2 3.71Å; V264-L266 HydrophobicContact CG1-CD2 4.14Å; V264-L266 PolarHBondContact O-N 3.17Å; V264-D271 HydrophobicContact CG1-CB 4.46Å; V264-D271 WeakPolarHBondContact CG1-OD2 3.33Å; V264-L276 HydrophobicContact CB-CD1 4.41Å; V264-L276 HydrophobicContact CG1-CD1 4.1Å; V264-L276 HydrophobicContact CG2-CD1 4.25Å; V264-L286 HydrophobicContact CG2-CD1 4.22Å; V264-S287 PolarHBondContact N-O 2.96Å; V264-S287 VanDerWaalsContact N-O 3.11Å; V264-G289 WeakPolarHBondContact O-CA 3.43Å; V264-G289 PolarHBondContact O-N 3.44Å
265D98.7Very high97.1Very high0 Ų035.6 Ų35.60%020%0.197CC..EExtended strand (participates in β ladder)trans-77.6105.3171.6-176.7-21.8000110.3F244 V267 H268 G269 S322F244-D265 WeakPolarHBondContact CA-OD2 3.13Å; F244-D265 PolarHBondContact N-OD2 3.23Å; D265-V267 VanDerWaalsContact C-N 3.34Å; D265-V267 WeakPolarHBondContact OD1-CA 3.48Å; D265-V267 WeakPolarHBondContact OD1-CB 3.35Å; D265-V267 PolarHBondContact OD1-N 2.77Å; D265-H268 PolarHBondContact OD1-N 3.27Å; D265-H268 IonicContact OD2-CD2 2.88Å; D265-G269 VanDerWaalsContact O-CA 3.22Å; D265-G269 WeakPolarHBondContact O-CA 3.5Å; D265-G269 PolarHBondContact O-N 3.1Å; D265-G269 VanDerWaalsContact O-N 3.1Å; D265-S322 WeakPolarHBondContact OD1-CB 3.49Å
266L98.2Very high97Very high7 Ų733.9 Ų33.94%0.03719%0.186CC..THydrogen-bonded Turntrans-96.613.2178.8-61.5175.7000112.6V264 V273 L276 A288 G289 L290 Q307 I308V264-L266 HydrophobicContact CG1-CD2 4.14Å; V264-L266 PolarHBondContact O-N 3.17Å; L266-V273 HydrophobicContact CD1-CG2 3.77Å; L266-V273 HydrophobicContact CD2-CG2 3.97Å; L266-V273 HydrophobicContact CG-CG2 4.5Å; L266-L276 HydrophobicContact CD2-CD1 4.11Å; L266-A288 HydrophobicContact CD1-CB 3.78Å; L266-G289 PolarHBondContact N-O 3.24Å; L266-L290 HydrophobicContact CB-CD2 4.22Å; L266-L290 HydrophobicContact CD1-CD2 3.92Å; L266-Q307 PolarHBondContact O-NE2 3.15Å; L266-I308 HydrophobicContact CD1-CD1 4.43Å
267V97.6Very high97Very high40 Ų4033.3 Ų33.324%0.24217%0.174CC..THydrogen-bonded Turntrans-100.8-51.2174.6173.60000110D265 L290 N292D265-V267 VanDerWaalsContact C-N 3.34Å; D265-V267 WeakPolarHBondContact OD1-CA 3.48Å; D265-V267 WeakPolarHBondContact OD1-CB 3.35Å; D265-V267 PolarHBondContact OD1-N 2.77Å; V267-L290 WeakPolarHBondContact CG2-O 3.42Å; V267-N292 HydrophobicContact CG1-CB 3.8Å; V267-N292 HydrophobicContact CG2-CB 4.37Å
268H95.4Very high96.9Very high72 Ų7240.2 Ų40.233%0.33320%0.203SC..THydrogen-bonded Turntrans-96.1-33178.6-67.6-64.3000112.2D265D265-H268 PolarHBondContact OD1-N 3.27Å; D265-H268 IonicContact OD2-CD2 2.88Å
269G94.8Very high96.9Very high11 Ų1142.8 Ų42.811%0.11321%0.21CC..  trans-71142.2175.200000112.3D265 D271D265-G269 VanDerWaalsContact O-CA 3.22Å; D265-G269 WeakPolarHBondContact O-CA 3.5Å; D265-G269 PolarHBondContact O-N 3.1Å; D265-G269 VanDerWaalsContact O-N 3.1Å; G269-D271 VanDerWaalsContact C-N 3.29Å
270K93.7Very high96.8Very high176 Ų17642.9 Ų42.977%0.76521%0.21SC*.  trans-92.718.7176.4-59.6174.9-174163.40112.8
271D95.9Very high96.8Very high13 Ų1342 Ų427%0.0721%0.209CC..  trans-69.4135.8-177.2-60-43.9000111.2G246 V247 T248 V264 G269 L276G246-D271 WeakPolarHBondContact CA-OD2 3.45Å; V247-D271 PolarHBondContact N-OD1 3.17Å; V247-D271 PolarHBondContact N-OD2 2.92Å; T248-D271 WeakPolarHBondContact CB-OD1 3.25Å; T248-D271 PolarHBondContact N-OD1 3.2Å; T248-D271 PolarHBondContact OG1-OD1 2.78Å; V264-D271 HydrophobicContact CG1-CB 4.46Å; V264-D271 WeakPolarHBondContact CG1-OD2 3.33Å; G269-D271 VanDerWaalsContact C-N 3.29Å; D271-L276 HydrophobicContact CB-CD1 3.69Å; D271-L276 HydrophobicContact CB-CD2 4.35Å; D271-L276 HydrophobicContact CB-CG 4.08Å
272D95.4Very high96.6Very high98 Ų9847.2 Ų47.252%0.52425%0.246SC..  trans-80.1123173.6-179.3-89.1000110.5A274 E275 L276D272-A274 VanDerWaalsContact C-N 3.31Å; D272-A274 PolarHBondContact O-N 2.86Å; D272-A274 WeakPolarHBondContact OD1-CA 3.23Å; D272-A274 VanDerWaalsContact OD1-CB 3.32Å; D272-A274 WeakPolarHBondContact OD1-CB 3.49Å; D272-A274 PolarHBondContact OD1-N 3.36Å; D272-E275 HydrophobicContact CB-CB 3.98Å; D272-E275 PolarHBondContact O-N 3.46Å; D272-E275 PolarHBondContact OD1-N 3.46Å; D272-L276 WeakPolarHBondContact O-CG 3.48Å; D272-L276 PolarHBondContact O-N 2.95Å
273V96.3Very high96.4Very high14 Ų1452.9 Ų52.99%0.08528%0.276CS..Hα-helixtrans-61.6-38.4-177170.20000112.3L266 E275 H277 Q307 I308 I311L266-V273 HydrophobicContact CD1-CG2 3.77Å; L266-V273 HydrophobicContact CD2-CG2 3.97Å; L266-V273 HydrophobicContact CG-CG2 4.5Å; V273-E275 VanDerWaalsContact C-N 3.34Å; V273-H277 WeakPolarHBondContact O-CB 3.46Å; V273-H277 PolarHBondContact O-N 3.39Å; V273-Q307 HydrophobicContact CG2-CG 4.24Å; V273-I308 HydrophobicContact CG1-CD1 3.44Å; V273-I308 VanDerWaalsContact CG1-CD1 3.44Å; V273-I308 HydrophobicContact CG2-CD1 4.24Å; V273-I311 HydrophobicContact CG1-CD1 3.98Å; V273-I311 HydrophobicContact CG1-CG1 4.29Å; V273-I311 HydrophobicContact CG1-CG2 4.29Å
274A95.3Very high96.4Very high46 Ų4653.4 Ų53.438%0.3828%0.278SS..Hα-helixtrans-70.7-35.9-179.400000110.9D272 K278D272-A274 VanDerWaalsContact C-N 3.31Å; D272-A274 PolarHBondContact O-N 2.86Å; D272-A274 WeakPolarHBondContact OD1-CA 3.23Å; D272-A274 VanDerWaalsContact OD1-CB 3.32Å; D272-A274 WeakPolarHBondContact OD1-CB 3.49Å; D272-A274 PolarHBondContact OD1-N 3.36Å; A274-K278 VanDerWaalsContact O-CG 3.29Å; A274-K278 WeakPolarHBondContact O-CG 3.47Å; A274-K278 PolarHBondContact O-N 3.12Å
275E95.5Very high96.3Very high78 Ų7853.7 Ų53.736%0.36428%0.279SS..Hα-helixtrans-69.4-45.3174.6-171.857.4-162.500112.2D272 V273 H277 K278 R279D272-E275 HydrophobicContact CB-CB 3.98Å; D272-E275 PolarHBondContact O-N 3.46Å; D272-E275 PolarHBondContact OD1-N 3.46Å; V273-E275 VanDerWaalsContact C-N 3.34Å; E275-H277 VanDerWaalsContact C-N 3.3Å; E275-H277 PolarHBondContact O-N 3.47Å; E275-K278 PolarHBondContact O-N 3.36Å; E275-K278 VanDerWaalsContact O-N 3.14Å; E275-R279 PolarHBondContact O-N 2.79Å; E275-R279 WeakPolarHBondContact OE1-CD 3.28Å; E275-R279 WeakPolarHBondContact OE1-CG 3.49Å
276L96.8Very high96.3Very high3 Ų353.8 Ų53.82%0.01628%0.28CS..Hα-helixtrans-54.4-48.5171.7-73.5175.1000110.8V247 L251 V264 L266 D271 D272 K278 R279 L280V247-L276 HydrophobicContact CG2-CD2 4.01Å; L251-L276 HydrophobicContact CD1-CD2 4.29Å; L251-L276 HydrophobicContact CD2-CD2 4.06Å; V264-L276 HydrophobicContact CB-CD1 4.41Å; V264-L276 HydrophobicContact CG1-CD1 4.1Å; V264-L276 HydrophobicContact CG2-CD1 4.25Å; L266-L276 HydrophobicContact CD2-CD1 4.11Å; D271-L276 HydrophobicContact CB-CD1 3.69Å; D271-L276 HydrophobicContact CB-CD2 4.35Å; D271-L276 HydrophobicContact CB-CG 4.08Å; D272-L276 WeakPolarHBondContact O-CG 3.48Å; D272-L276 PolarHBondContact O-N 2.95Å; L276-K278 VanDerWaalsContact C-N 3.26Å; L276-K278 PolarHBondContact O-N 3Å; L276-R279 PolarHBondContact O-N 3.13Å; L276-L280 HydrophobicContact CB-CD1 4.37Å; L276-L280 VanDerWaalsContact O-CB 3.32Å; L276-L280 WeakPolarHBondContact O-CB 3.35Å; L276-L280 WeakPolarHBondContact O-CG 3.48Å; L276-L280 PolarHBondContact O-N 3.21Å
277H96Very high96.3Very high46 Ų4653.5 Ų53.521%0.21328%0.278CS..Hα-helixtrans-57.1-38.4179.3171.378.1000113.1V273 E275 I311 R315V273-H277 WeakPolarHBondContact O-CB 3.46Å; V273-H277 PolarHBondContact O-N 3.39Å; E275-H277 VanDerWaalsContact C-N 3.3Å; E275-H277 PolarHBondContact O-N 3.47Å; H277-I311 HydrophobicContact CB-CG2 3.76Å; H277-R315 PolarHBondContact ND1-NE 3.36Å; H277-R315 PolarHBondContact O-NH2 2.89Å
278K96.2Very high96.4Very high151 Ų15151.6 Ų51.666%0.65727%0.267SS*.Hα-helixtrans-74.6-40.9-179.9-70.6168.8-168.4167.50113.1A274 E275 L276A274-K278 VanDerWaalsContact O-CG 3.29Å; A274-K278 WeakPolarHBondContact O-CG 3.47Å; A274-K278 PolarHBondContact O-N 3.12Å; E275-K278 PolarHBondContact O-N 3.36Å; E275-K278 VanDerWaalsContact O-N 3.14Å; L276-K278 VanDerWaalsContact C-N 3.26Å; L276-K278 PolarHBondContact O-N 3Å
279R96.9Very high96.5Very high83 Ų8348.1 Ų48.131%0.31325%0.251SS..Hα-helixtrans-83-28.7-174.2-72.9-172.664.5-170.43.3113.5L251 D252 E275 L276L251-R279 HydrophobicContact CD2-CB 3.8Å; L251-R279 HydrophobicContact CD2-CG 4.45Å; D252-R279 VanDerWaalsContact CG-NH2 3.31Å; D252-R279 IonicContact OD1-CZ 3.51Å; D252-R279 IonicContact OD1-NH2 3.72Å; D252-R279 PolarHBondContact OD1-NH2 2.89Å; D252-R279 IonicContact OD2-NH2 3.64Å; E275-R279 PolarHBondContact O-N 2.79Å; E275-R279 WeakPolarHBondContact OE1-CD 3.28Å; E275-R279 WeakPolarHBondContact OE1-CG 3.49Å; L276-R279 PolarHBondContact O-N 3.13Å
280L97.7Very high96.7Very high6 Ų647.6 Ų47.63%0.03125%0.245CC..SBendtrans-71.4143.9177-67.6173.7000110.9L251 T255 L262 L276 W284 L286 R315L251-L280 HydrophobicContact CD1-CD2 3.9Å; T255-L280 HydrophobicContact CG2-CD2 3.98Å; L262-L280 HydrophobicContact CD2-CD1 4.27Å; L262-L280 HydrophobicContact CD2-CD2 3.63Å; L276-L280 HydrophobicContact CB-CD1 4.37Å; L276-L280 VanDerWaalsContact O-CB 3.32Å; L276-L280 WeakPolarHBondContact O-CB 3.35Å; L276-L280 WeakPolarHBondContact O-CG 3.48Å; L276-L280 PolarHBondContact O-N 3.21Å; L280-W284 HydrophobicContact CD2-CE3 3.95Å; L280-W284 HydrophobicContact CD2-CZ3 4Å; L280-L286 HydrophobicContact CD1-CD1 3.91Å; L280-R315 PolarHBondContact O-NH2 3.13Å; L280-R315 VanDerWaalsContact O-NH2 3.11Å
281P96.9Very high97Very high38 Ų3839.2 Ų39.225%0.24721%0.209CC..  trans-48.4143.7171.1-27.935.2000112.2D283 W284 R315P281-D283 VanDerWaalsContact C-N 3.29Å; P281-D283 WeakPolarHBondContact CB-OD1 3.44Å; P281-D283 PolarHBondContact O-N 2.8Å; P281-W284 HydrophobicContact CB-CB 4.43Å; P281-W284 HydrophobicContact CB-CD2 4.17Å; P281-W284 HydrophobicContact CB-CG 3.83Å; P281-W284 HydrophobicContact CG-CD2 3.88Å; P281-W284 HydrophobicContact CG-CE3 4.48Å; P281-W284 HydrophobicContact CG-CG 4.09Å; P281-W284 HydrophobicContact CG-CZ2 4.09Å; P281-W284 WeakPolarHBondContact O-CB 2.98Å; P281-W284 PolarHBondContact O-N 2.86Å; P281-R315 PolarHBondContact O-NH1 3.23Å; P281-R315 PolarHBondContact O-NH2 3.26Å
282S95Very high97.1Very high110 Ų11039.1 Ų39.177%0.76921%0.208SC*.THydrogen-bonded Turntrans-70.8-26.2-170.5530000113.3
283D94.9Very high97.2Very high119 Ų11934.5 Ų34.564%0.63618%0.184SC*.THydrogen-bonded Turntrans-87.7-6.7177.464.8-41000113.3P281P281-D283 VanDerWaalsContact C-N 3.29Å; P281-D283 WeakPolarHBondContact CB-OD1 3.44Å; P281-D283 PolarHBondContact O-N 2.8Å
284W97.5Very high97.3Very high11 Ų1136.5 Ų36.54%0.04219%0.19CC..PPolyproline II helixtrans-74.8136.7177.3-8020.6000112.6I254 L257 V259 Q260 L262 L280 P281 R315I254-W284 HydrophobicContact CG2-CH2 4.23Å; I254-W284 HydrophobicContact CG2-CZ3 4Å; I254-W284 VanDerWaalsContact O-CH2 3.31Å; I254-W284 WeakPolarHBondContact O-CH2 3.19Å; L257-W284 WeakPolarHBondContact O-CZ2 3.3Å; V259-W284 HydrophobicContact CG2-CH2 3.36Å; V259-W284 HydrophobicContact CG2-CZ2 3.43Å; V259-W284 VanDerWaalsContact CG2-CZ2 3.43Å; V259-W284 HydrophobicContact CG2-CZ3 3.98Å; V259-W284 PolarHBondContact O-NE1 2.9Å; Q260-W284 WeakPolarHBondContact O-CA 3.26Å; L262-W284 HydrophobicContact CB-CE3 4.15Å; L262-W284 HydrophobicContact CB-CZ3 4.14Å; L280-W284 HydrophobicContact CD2-CE3 3.95Å; L280-W284 HydrophobicContact CD2-CZ3 4Å; P281-W284 HydrophobicContact CB-CB 4.43Å; P281-W284 HydrophobicContact CB-CD2 4.17Å; P281-W284 HydrophobicContact CB-CG 3.83Å; P281-W284 HydrophobicContact CG-CD2 3.88Å; P281-W284 HydrophobicContact CG-CE3 4.48Å; P281-W284 HydrophobicContact CG-CG 4.09Å; P281-W284 HydrophobicContact CG-CZ2 4.09Å; P281-W284 WeakPolarHBondContact O-CB 2.98Å; P281-W284 PolarHBondContact O-N 2.86Å; W284-R315 PolarHBondContact O-NH1 2.99Å
285L98.2Very high97.4Very high6 Ų634.7 Ų34.73%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-66.3129.2161.5170.767.7000110W205 L239 Q260 G261 L262 D316 W318W205-L285 HydrophobicContact CH2-CB 3.94Å; W205-L285 HydrophobicContact CH2-CD2 3.74Å; W205-L285 HydrophobicContact CZ2-CB 4.38Å; W205-L285 HydrophobicContact CZ2-CD2 3.88Å; W205-L285 HydrophobicContact CZ3-CD2 4.13Å; L239-L285 HydrophobicContact CD1-CD2 4.36Å; Q260-L285 PolarHBondContact O-N 3.29Å; G261-L285 CarbonylContact C-O 3.47Å; G261-L285 WeakPolarHBondContact CA-O 3.46Å; L262-L285 PolarHBondContact N-O 2.48Å; L285-D316 HydrophobicContact CB-CB 4.4Å; L285-D316 HydrophobicContact CD1-CB 4.03Å; L285-W318 HydrophobicContact CD1-CB 4.29Å; L285-W318 HydrophobicContact CD1-CD2 3.94Å; L285-W318 HydrophobicContact CD1-CG 3.7Å; L285-W318 HydrophobicContact CD2-CD2 3.49Å; L285-W318 VanDerWaalsContact CD2-CD2 3.49Å; L285-W318 VanDerWaalsContact CD2-CE2 3.49Å; L285-W318 HydrophobicContact CD2-CE3 3.59Å; L285-W318 HydrophobicContact CD2-CG 4.15Å; L285-W318 HydrophobicContact CD2-CH2 3.67Å; L285-W318 HydrophobicContact CD2-CZ2 3.6Å; L285-W318 HydrophobicContact CD2-CZ3 3.67Å; L285-W318 HydrophobicContact CG-CD2 4.26Å; L285-W318 HydrophobicContact CG-CG 4.44Å
286L98.3Very high97.6Very high2 Ų231 Ų311%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-98.1123.7164.1177.960.3000109.2V264 L280 I311 D316 L317 W318V264-L286 HydrophobicContact CG2-CD1 4.22Å; L280-L286 HydrophobicContact CD1-CD1 3.91Å; L286-I311 HydrophobicContact CD2-CD1 3.75Å; L286-D316 PolarHBondContact N-O 2.96Å; L286-L317 HydrophobicContact CB-CD1 4.36Å; L286-L317 HydrophobicContact CD2-CD1 4.43Å; L286-L317 HydrophobicContact CG-CD1 4.33Å; L286-L317 CarbonylContact O-C 3.41Å; L286-L317 WeakPolarHBondContact O-CA 3.27Å; L286-L317 WeakPolarHBondContact O-CD1 3.5Å; L286-W318 PolarHBondContact O-N 2.91Å
287S98.7Very high97.7Very high0 Ų031.1 Ų31.10%016%0.157CC..EExtended strand (participates in β ladder)trans-99.1111.3166176.90000109.9H6 L262 H263 V264 W318 A320H6-S287 PolarHBondContact NE2-OG 3.33Å; L262-S287 PolarHBondContact O-N 3.38Å; H263-S287 WeakPolarHBondContact CA-O 3.15Å; H263-S287 PolarHBondContact ND1-O 2.84Å; H263-S287 PolarHBondContact ND1-OG 3.47Å; V264-S287 PolarHBondContact N-O 2.96Å; V264-S287 VanDerWaalsContact N-O 3.11Å; S287-W318 WeakPolarHBondContact CA-O 3.49Å; S287-A320 WeakPolarHBondContact OG-CB 3.3Å
288A98.6Very high97.8Very high0 Ų030.8 Ų30.80%015%0.153CC..EExtended strand (participates in β ladder)trans-88.2106.9-178.300000110.9L266 L290 I308 L317 W318 A320L266-A288 HydrophobicContact CD1-CB 3.78Å; A288-L290 HydrophobicContact CB-CD1 4.09Å; A288-L290 HydrophobicContact CB-CG 4.03Å; A288-L290 PolarHBondContact O-N 3.34Å; A288-I308 HydrophobicContact CB-CD1 3.91Å; A288-I308 HydrophobicContact CB-CG1 4.2Å; A288-L317 HydrophobicContact CB-CD1 4.11Å; A288-W318 PolarHBondContact N-O 2.73Å; A288-A320 PolarHBondContact O-N 2.58Å
289G98.8Very high97.9Very high0 Ų024.2 Ų24.20%013%0.127CC..EExtended strand (participates in β ladder)trans-75.483.3174.900000112.2H263 V264 L266 A320H263-G289 VanDerWaalsContact CE1-CA 3.48Å; H263-G289 WeakPolarHBondContact CE1-CA 3.4Å; V264-G289 WeakPolarHBondContact O-CA 3.43Å; V264-G289 PolarHBondContact O-N 3.44Å; L266-G289 PolarHBondContact N-O 3.24Å; G289-A320 CarbonylContact C-O 3.55Å; G289-A320 WeakPolarHBondContact CA-O 3.45Å
290L98.6Very high98Very high0 Ų021 Ų210%012%0.116CC..EExtended strand (participates in β ladder)trans-98.5-23.5-170.9-67.6166.7000113.9L266 V267 A288 K304 I308 V319 A320 L359L266-L290 HydrophobicContact CB-CD2 4.22Å; L266-L290 HydrophobicContact CD1-CD2 3.92Å; V267-L290 WeakPolarHBondContact CG2-O 3.42Å; A288-L290 HydrophobicContact CB-CD1 4.09Å; A288-L290 HydrophobicContact CB-CG 4.03Å; A288-L290 PolarHBondContact O-N 3.34Å; L290-K304 HydrophobicContact CB-CB 4.44Å; L290-K304 HydrophobicContact CD2-CD 4.48Å; L290-K304 WeakPolarHBondContact O-CE 3.29Å; L290-I308 HydrophobicContact CD1-CB 4.23Å; L290-I308 HydrophobicContact CD1-CG1 4.47Å; L290-I308 HydrophobicContact CD1-CG2 3.99Å; L290-V319 HydrophobicContact CD1-CG1 3.97Å; L290-A320 PolarHBondContact N-O 2.8Å; L290-L359 HydrophobicContact CB-CD1 4.47Å
291I98.8Very high98Very high0 Ų020.7 Ų20.70%012%0.115CC..EExtended strand (participates in β ladder)trans-102.7119.8-176.5-60.3-56.3000110G293 A299 L301 A320 S321 S322 K352 E355 L356 L359I291-G293 PolarHBondContact O-N 3.08Å; I291-G293 VanDerWaalsContact O-N 3.07Å; I291-A299 HydrophobicContact CD1-CB 3.65Å; I291-L301 HydrophobicContact CD1-CD2 3.71Å; I291-A320 PolarHBondContact N-O 2.7Å; I291-S321 CarbonylContact O-C 3.58Å; I291-S321 VanDerWaalsContact O-CA 3.31Å; I291-S321 WeakPolarHBondContact O-CA 3.44Å; I291-S322 PolarHBondContact O-N 3.28Å; I291-K352 HydrophobicContact CG2-CB 3.75Å; I291-K352 HydrophobicContact CG2-CD 4.19Å; I291-K352 HydrophobicContact CG2-CG 3.74Å; I291-E355 HydrophobicContact CD1-CB 3.87Å; I291-E355 HydrophobicContact CG1-CB 4.22Å; I291-E355 WeakPolarHBondContact CG2-OE2 3.29Å; I291-L356 HydrophobicContact CB-CD2 4.07Å; I291-L356 HydrophobicContact CB-CG 4.34Å; I291-L356 HydrophobicContact CG1-CD2 3.48Å; I291-L356 VanDerWaalsContact CG1-CD2 3.48Å; I291-L356 HydrophobicContact CG1-CG 3.86Å; I291-L359 HydrophobicContact CD1-CD1 3.71Å; I291-L359 HydrophobicContact CG1-CD1 4.17Å
292N98.7Very high98.1Very high11 Ų1121.7 Ų21.76%0.05912%0.12CC..  trans-61.1111.9-173.2-168.8-18.3000111.9V267 R294 N295 K352 E566V267-N292 HydrophobicContact CG1-CB 3.8Å; V267-N292 HydrophobicContact CG2-CB 4.37Å; N292-R294 WeakPolarHBondContact OD1-CA 2.96Å; N292-R294 WeakPolarHBondContact OD1-CB 3.23Å; N292-R294 PolarHBondContact OD1-N 3.22Å; N292-N295 VanDerWaalsContact ND2-CB 3.27Å; N292-N295 WeakPolarHBondContact ND2-CB 3.18Å; N292-N295 PolarHBondContact OD1-N 3.29Å; N292-K352 WeakPolarHBondContact O-CD 3.4Å; N292-K352 WeakPolarHBondContact O-CE 3.48Å; N292-K352 PolarHBondContact O-NZ 2.85Å; N292-E566 PolarHBondContact ND2-OE1 3.1Å
293G98.5Very high98.2Very high0 Ų021.1 Ų21.10%011%0.105CC..SBendtrans-83.1-11.5175.700000115I291 S322 C323 H327I291-G293 PolarHBondContact O-N 3.08Å; I291-G293 VanDerWaalsContact O-N 3.07Å; G293-S322 PolarHBondContact N-OG 3.14Å; G293-S322 VanDerWaalsContact N-OG 3.08Å; G293-C323 VanDerWaalsContact CA-SG 3.59Å; G293-H327 CarbonylContact O-C 3.59Å
294R97.5Very high98.4Very high57 Ų5717 Ų1722%0.2158%0.082CC..SBendtrans-96.9-11.3-176.3-71.7-71.1-62-85.3-5.9114.6N120 F244 N292 F563N120-R294 PolarHBondContact O-NH2 3.38Å; N120-R294 PolarHBondContact OD1-NH1 3.15Å; F244-R294 HydrophobicContact CD1-CG 4.21Å; F244-R294 HydrophobicContact CE1-CG 4.16Å; N292-R294 WeakPolarHBondContact OD1-CA 2.96Å; N292-R294 WeakPolarHBondContact OD1-CB 3.23Å; N292-R294 PolarHBondContact OD1-N 3.22Å; R294-F563 WeakPolarHBondContact O-CE1 3.13Å
295N98.1Very high98.5Very high7 Ų718.5 Ų18.54%0.0379%0.088CC..  trans-136.6166.9-172.6-147.4-17.7000112.2N292 W297 K352 F563 P564 E566N292-N295 VanDerWaalsContact ND2-CB 3.27Å; N292-N295 WeakPolarHBondContact ND2-CB 3.18Å; N292-N295 PolarHBondContact OD1-N 3.29Å; N295-W297 VanDerWaalsContact ND2-CD1 3.26Å; N295-K352 WeakPolarHBondContact O-CE 3.49Å; N295-K352 PolarHBondContact O-NZ 3.36Å; N295-F563 WeakPolarHBondContact OD1-CB 3.32Å; N295-F563 WeakPolarHBondContact OD1-CD1 3.5Å; N295-P564 PolarHBondContact ND2-O 3.36Å; N295-E566 VanDerWaalsContact CB-OE1 3.28Å; N295-E566 WeakPolarHBondContact CB-OE1 3.47Å; N295-E566 PolarHBondContact ND2-OE1 3.2Å
296V98.5Very high98.4Very high1 Ų120.6 Ų20.61%0.00611%0.106CC..  trans-99.7-0.2-174.5-64.80000113.9P329 F346 A347 F348 I521 F563V296-P329 HydrophobicContact CG1-CG 4.13Å; V296-F346 HydrophobicContact CG2-CD1 4.15Å; V296-F346 HydrophobicContact CG2-CE1 4.39Å; V296-F346 CarbonylContact O-C 3.54Å; V296-F346 WeakPolarHBondContact O-CA 3.37Å; V296-F346 WeakPolarHBondContact O-CB 3.3Å; V296-A347 CarbonylContact C-O 3.49Å; V296-A347 PolarHBondContact O-N 2.88Å; V296-F348 HydrophobicContact CB-CD1 4.08Å; V296-F348 HydrophobicContact CB-CE1 3.85Å; V296-F348 HydrophobicContact CG1-CD1 3.94Å; V296-F348 HydrophobicContact CG1-CE1 3.72Å; V296-I521 HydrophobicContact CG2-CD1 3.86Å; V296-I521 HydrophobicContact CG2-CG1 4.03Å; V296-I521 HydrophobicContact CG2-CG2 3.96Å; V296-F563 HydrophobicContact CB-CD2 4.41Å; V296-F563 HydrophobicContact CB-CG 4.39Å; V296-F563 HydrophobicContact CG1-CD1 3.98Å; V296-F563 HydrophobicContact CG1-CD2 3.51Å; V296-F563 HydrophobicContact CG1-CE1 3.88Å; V296-F563 HydrophobicContact CG1-CE2 3.4Å; V296-F563 VanDerWaalsContact CG1-CE2 3.4Å; V296-F563 HydrophobicContact CG1-CG 3.79Å; V296-F563 HydrophobicContact CG1-CZ 3.58Å; V296-F563 HydrophobicContact CG2-CB 3.79Å; V296-F563 HydrophobicContact CG2-CD1 4.43Å; V296-F563 HydrophobicContact CG2-CD2 4.03Å; V296-F563 HydrophobicContact CG2-CG 3.84Å
297W98.5Very high98.4Very high6 Ų623.7 Ų23.72%0.02312%0.12CC..BIsolated β-bridgetrans-68.6140.9180-61.7102000111.6N295 W345 F346 K352 I378 I521 V522 I523 P564 R565 E566N295-W297 VanDerWaalsContact ND2-CD1 3.26Å; W297-W345 HydrophobicContact CE3-CB 4.21Å; W297-W345 HydrophobicContact CZ3-CB 3.94Å; W297-W345 HydrophobicContact CZ3-CE3 4.32Å; W297-F346 HydrophobicContact CD2-CE1 4.46Å; W297-F346 AromaticContact CE3-CD1 4Å; W297-F346 HydrophobicContact CE3-CD1 4Å; W297-F346 AromaticContact CE3-CE1 3.91Å; W297-F346 HydrophobicContact CE3-CE1 3.91Å; W297-F346 AromaticContact CH2-CE1 3.84Å; W297-F346 HydrophobicContact CH2-CE1 3.84Å; W297-F346 HydrophobicContact CZ2-CE1 4.39Å; W297-F346 HydrophobicContact CZ3-CD1 4.08Å; W297-F346 AromaticContact CZ3-CE1 3.55Å; W297-F346 HydrophobicContact CZ3-CE1 3.55Å; W297-K352 PolarHBondContact O-NZ 3.15Å; W297-I378 HydrophobicContact CE3-CD1 4.06Å; W297-I521 HydrophobicContact CZ2-CG2 4.18Å; W297-V522 VanDerWaalsContact CZ2-O 3.31Å; W297-V522 WeakPolarHBondContact CZ2-O 3.16Å; W297-I523 HydrophobicContact CH2-CB 4.43Å; W297-I523 HydrophobicContact CH2-CG2 4.1Å; W297-P564 PolarHBondContact NE1-O 2.98Å; W297-R565 HydrophobicContact CZ2-CB 3.81Å; W297-E566 VanDerWaalsContact CD1-CD 3.45Å; W297-E566 HydrophobicContact CG-CG 4.32Å
298R98.6Very high98.3Very high38 Ų3823.7 Ų23.714%0.14312%0.12CC..PPolyproline II helixtrans-62.8133.4164.2-178.4-173.3-70.2-123.2-8.1108.7S344 W345 A347 E355 W374 I378R298-S344 VanDerWaalsContact CZ-O 3.26Å; R298-S344 PolarHBondContact NE-O 3.43Å; R298-S344 PolarHBondContact NH2-O 3.32Å; R298-W345 VanDerWaalsContact CB-O 3.26Å; R298-W345 WeakPolarHBondContact CB-O 3.21Å; R298-W345 PolarHBondContact N-O 2.97Å; R298-A347 HydrophobicContact CB-CB 4.4Å; R298-E355 WeakPolarHBondContact CA-OE1 3.3Å; R298-E355 WeakPolarHBondContact CG-OE1 3.28Å; R298-W374 VanDerWaalsContact CD-O 3.31Å; R298-W374 WeakPolarHBondContact CD-O 3.22Å; R298-W374 HydrophobicContact CG-CZ2 4.18Å; R298-W374 VanDerWaalsContact CG-NE1 3.25Å; R298-W374 PolarHBondContact NH1-O 3.15Å; R298-I378 WeakPolarHBondContact O-CG1 3.41Å
299A98.5Very high98.2Very high13 Ų1328.2 Ų28.211%0.10714%0.14CC..PPolyproline II helixtrans-75140.317600000111.6I291 L301 E355I291-A299 HydrophobicContact CD1-CB 3.65Å; A299-L301 HydrophobicContact CB-CD2 3.65Å; A299-L301 PolarHBondContact O-N 3.33Å; A299-L301 VanDerWaalsContact O-N 3.09Å; A299-E355 PolarHBondContact N-OE1 3.04Å
300D98.5Very high98Very high15 Ų1533.5 Ų33.58%0.0817%0.168CC..  trans-74.692161.4-171.2-29.2000107.9T302 E303 K304 S375 I378 Q379 R382D300-T302 PolarHBondContact O-N 2.93Å; D300-T302 WeakPolarHBondContact OD1-CB 3.21Å; D300-T302 PolarHBondContact OD1-N 3.11Å; D300-E303 HydrophobicContact CB-CB 4Å; D300-E303 WeakPolarHBondContact O-CB 3.38Å; D300-E303 PolarHBondContact O-N 3.47Å; D300-E303 PolarHBondContact OD1-N 2.66Å; D300-E303 VanDerWaalsContact OD1-N 3.12Å; D300-K304 WeakPolarHBondContact O-CG 3.22Å; D300-K304 PolarHBondContact O-N 3.33Å; D300-S375 PolarHBondContact OD1-OG 2.7Å; D300-I378 HydrophobicContact CB-CG2 3.92Å; D300-Q379 PolarHBondContact OD1-NE2 3.37Å; D300-Q379 VanDerWaalsContact OD2-CG 3.3Å; D300-Q379 WeakPolarHBondContact OD2-CG 3.27Å; D300-Q379 PolarHBondContact OD2-NE2 3.04Å; D300-R382 IonicContact OD2-NH2 3.51Å; D300-R382 PolarHBondContact OD2-NH2 2.93Å
301L98.8Very high97.9Very high0 Ų033.8 Ų33.80%017%0.17CC..Hα-helixtrans-68.6-23-175.5-56.4-176.2000112.2I291 A299 E303 K304 Y305 E355 L358 L359 L371 W374 S375I291-L301 HydrophobicContact CD1-CD2 3.71Å; A299-L301 HydrophobicContact CB-CD2 3.65Å; A299-L301 PolarHBondContact O-N 3.33Å; A299-L301 VanDerWaalsContact O-N 3.09Å; L301-E303 VanDerWaalsContact C-N 3.34Å; L301-K304 PolarHBondContact O-N 3.42Å; L301-Y305 VanDerWaalsContact O-CB 3.28Å; L301-Y305 WeakPolarHBondContact O-CB 3.4Å; L301-Y305 PolarHBondContact O-N 2.73Å; L301-E355 HydrophobicContact CD1-CB 4.4Å; L301-E355 HydrophobicContact CD1-CG 4.35Å; L301-E355 HydrophobicContact CD2-CB 3.95Å; L301-E355 HydrophobicContact CD2-CG 4.11Å; L301-L358 HydrophobicContact CD1-CB 3.93Å; L301-L358 HydrophobicContact CD1-CD1 3.87Å; L301-L359 HydrophobicContact CB-CD2 4.12Å; L301-L359 HydrophobicContact CB-CG 4.45Å; L301-L359 HydrophobicContact CD2-CD1 3.91Å; L301-L359 HydrophobicContact CD2-CD2 4.4Å; L301-L359 HydrophobicContact CD2-CG 3.95Å; L301-L371 HydrophobicContact CB-CB 4.02Å; L301-L371 HydrophobicContact CB-CD2 3.91Å; L301-L371 HydrophobicContact CB-CG 4.38Å; L301-L371 HydrophobicContact CD1-CD2 3.96Å; L301-W374 HydrophobicContact CD1-CB 4.05Å; L301-W374 VanDerWaalsContact CD1-CD1 3.4Å; L301-W374 HydrophobicContact CD1-CG 3.74Å; L301-W374 HydrophobicContact CG-CG 4.32Å; L301-S375 PolarHBondContact N-OG 3.08Å
302T98.6Very high97.8Very high59 Ų5936.1 Ų36.136%0.36218%0.184SC..Hα-helixtrans-64.9-43.9173.4-52.20000110D300 A306 S375D300-T302 PolarHBondContact O-N 2.93Å; D300-T302 WeakPolarHBondContact OD1-CB 3.21Å; D300-T302 PolarHBondContact OD1-N 3.11Å; T302-A306 WeakPolarHBondContact O-CB 3.47Å; T302-A306 PolarHBondContact O-N 2.84Å; T302-A306 VanDerWaalsContact O-N 3.09Å; T302-S375 PolarHBondContact N-OG 2.77Å; T302-S375 PolarHBondContact OG1-OG 3.33Å
303E97.9Very high97.5Very high98 Ų9838.9 Ų38.946%0.45822%0.215SC..Hα-helixtrans-64.4-46.8174.4-167.8-173.8135.400111.7D300 L301 Y305 A306 Q307 R382D300-E303 HydrophobicContact CB-CB 4Å; D300-E303 WeakPolarHBondContact O-CB 3.38Å; D300-E303 PolarHBondContact O-N 3.47Å; D300-E303 PolarHBondContact OD1-N 2.66Å; D300-E303 VanDerWaalsContact OD1-N 3.12Å; L301-E303 VanDerWaalsContact C-N 3.34Å; E303-Y305 VanDerWaalsContact C-N 3.34Å; E303-Y305 PolarHBondContact O-N 3.07Å; E303-A306 PolarHBondContact O-N 3.45Å; E303-A306 VanDerWaalsContact O-N 3.15Å; E303-Q307 PolarHBondContact O-N 3.39Å; E303-R382 IonicContact OE2-NH2 2.86Å
304K98.2Very high97.3Very high34 Ų3445.6 Ų45.615%0.14824%0.244CC..Hα-helixtrans-63.7-36.9179.2-61.2-46.7-178.9-169.50113.2L290 D300 L301 Q307 L359L290-K304 HydrophobicContact CB-CB 4.44Å; L290-K304 HydrophobicContact CD2-CD 4.48Å; L290-K304 WeakPolarHBondContact O-CE 3.29Å; D300-K304 WeakPolarHBondContact O-CG 3.22Å; D300-K304 PolarHBondContact O-N 3.33Å; L301-K304 PolarHBondContact O-N 3.42Å; K304-Q307 PolarHBondContact O-N 3.13Å; K304-L359 HydrophobicContact CB-CD1 4.1Å; K304-L359 HydrophobicContact CB-CD2 4.17Å
305Y98.5Very high97.2Very high42 Ų4243.4 Ų43.417%0.16524%0.236CC..Hα-helixtrans-63.4-46.4172.1179.9-89.2000111.4L301 E303 Q307 I308 K309 A362 L363 T368 L371L301-Y305 VanDerWaalsContact O-CB 3.28Å; L301-Y305 WeakPolarHBondContact O-CB 3.4Å; L301-Y305 PolarHBondContact O-N 2.73Å; E303-Y305 VanDerWaalsContact C-N 3.34Å; E303-Y305 PolarHBondContact O-N 3.07Å; Y305-Q307 VanDerWaalsContact C-N 3.26Å; Y305-Q307 PolarHBondContact O-N 3.26Å; Y305-I308 PolarHBondContact O-N 3.37Å; Y305-K309 HydrophobicContact CD1-CB 4.19Å; Y305-K309 HydrophobicContact CD1-CD 4.2Å; Y305-K309 HydrophobicContact CE1-CB 3.87Å; Y305-K309 HydrophobicContact CE1-CD 3.9Å; Y305-K309 HydrophobicContact CE1-CG 4.47Å; Y305-K309 VanDerWaalsContact O-CB 3.29Å; Y305-K309 WeakPolarHBondContact O-CB 3.46Å; Y305-K309 PolarHBondContact O-N 3.02Å; Y305-A362 HydrophobicContact CD2-CB 4.04Å; Y305-A362 HydrophobicContact CE2-CB 4.06Å; Y305-L363 HydrophobicContact CD2-CD2 3.53Å; Y305-L363 HydrophobicContact CD2-CG 3.89Å; Y305-L363 HydrophobicContact CE2-CD2 3.56Å; Y305-L363 HydrophobicContact CE2-CG 4.01Å; Y305-L363 HydrophobicContact CG-CD2 4.41Å; Y305-T368 HydrophobicContact CD1-CG2 3.91Å; Y305-T368 HydrophobicContact CD2-CG2 4.3Å; Y305-T368 HydrophobicContact CE1-CG2 3.59Å; Y305-T368 HydrophobicContact CE2-CG2 3.99Å; Y305-T368 HydrophobicContact CG-CG2 4.26Å; Y305-L371 VanDerWaalsContact CB-CD1 3.48Å; Y305-L371 HydrophobicContact CD2-CD1 3.68Å; Y305-L371 HydrophobicContact CG-CD1 3.75Å
306A97.8Very high97.1Very high50 Ų5045.9 Ų45.941%0.41325%0.249SC..Hα-helixtrans-61.2-34.8178.600000112.8T302 E303 I308T302-A306 WeakPolarHBondContact O-CB 3.47Å; T302-A306 PolarHBondContact O-N 2.84Å; T302-A306 VanDerWaalsContact O-N 3.09Å; E303-A306 PolarHBondContact O-N 3.45Å; E303-A306 VanDerWaalsContact O-N 3.15Å; A306-I308 VanDerWaalsContact C-N 3.3Å; A306-I308 PolarHBondContact O-N 3.5Å
307Q97Very high97.1Very high66 Ų6646.1 Ų46.131%0.30825%0.25SS..Hα-helixtrans-62.4-32.3178.4-171.5179.76.300113.3L266 V273 E303 K304 Y305L266-Q307 PolarHBondContact O-NE2 3.15Å; V273-Q307 HydrophobicContact CG2-CG 4.24Å; E303-Q307 PolarHBondContact O-N 3.39Å; K304-Q307 PolarHBondContact O-N 3.13Å; Y305-Q307 VanDerWaalsContact C-N 3.26Å; Y305-Q307 PolarHBondContact O-N 3.26Å
308I97Very high97.1Very high0 Ų046.9 Ų46.90%025%0.253CS..Hα-helixtrans-117.4-16.9-169.7-156.963.6000114.4L266 V273 A288 L290 Y305 A306 D310 I311 L317 L363L266-I308 HydrophobicContact CD1-CD1 4.43Å; V273-I308 HydrophobicContact CG1-CD1 3.44Å; V273-I308 VanDerWaalsContact CG1-CD1 3.44Å; V273-I308 HydrophobicContact CG2-CD1 4.24Å; A288-I308 HydrophobicContact CB-CD1 3.91Å; A288-I308 HydrophobicContact CB-CG1 4.2Å; L290-I308 HydrophobicContact CD1-CB 4.23Å; L290-I308 HydrophobicContact CD1-CG1 4.47Å; L290-I308 HydrophobicContact CD1-CG2 3.99Å; Y305-I308 PolarHBondContact O-N 3.37Å; A306-I308 VanDerWaalsContact C-N 3.3Å; A306-I308 PolarHBondContact O-N 3.5Å; I308-D310 PolarHBondContact O-N 3.46Å; I308-I311 HydrophobicContact CD1-CD1 3.56Å; I308-I311 HydrophobicContact CD1-CG1 3.91Å; I308-I311 HydrophobicContact CG1-CD1 4.22Å; I308-I311 HydrophobicContact CG1-CG1 4.18Å; I308-I311 VanDerWaalsContact O-CG1 3.23Å; I308-I311 WeakPolarHBondContact O-CG1 3.45Å; I308-I311 PolarHBondContact O-N 2.95Å; I308-L317 HydrophobicContact CD1-CD1 4.26Å; I308-L317 HydrophobicContact CG1-CD1 4.15Å; I308-L317 HydrophobicContact CG1-CD2 3.87Å; I308-L363 HydrophobicContact CG2-CD1 3.9Å; I308-L363 HydrophobicContact CG2-CD2 3.66Å; I308-L363 HydrophobicContact CG2-CG 4.44Å
309K96.5Very high97.1Very high95 Ų9545 Ų4541%0.41325%0.246SC..G310 helixtrans-55.3-31.5-172.867.3177.8-175.4178.50114.1Y305 I311 V312Y305-K309 HydrophobicContact CD1-CB 4.19Å; Y305-K309 HydrophobicContact CD1-CD 4.2Å; Y305-K309 HydrophobicContact CE1-CB 3.87Å; Y305-K309 HydrophobicContact CE1-CD 3.9Å; Y305-K309 HydrophobicContact CE1-CG 4.47Å; Y305-K309 VanDerWaalsContact O-CB 3.29Å; Y305-K309 WeakPolarHBondContact O-CB 3.46Å; Y305-K309 PolarHBondContact O-N 3.02Å; K309-I311 PolarHBondContact O-N 3.45Å; K309-V312 VanDerWaalsContact O-CB 3.31Å; K309-V312 WeakPolarHBondContact O-CB 3.35Å; K309-V312 WeakPolarHBondContact O-CG2 3.4Å; K309-V312 PolarHBondContact O-N 2.55Å; K309-V312 VanDerWaalsContact O-N 3.15Å
310D96Very high97.1Very high111 Ų11144.4 Ų44.459%0.59424%0.241SC*.G310 helixtrans-71.7-15.7-172-72.6-10.5000113.3I308 K314I308-D310 PolarHBondContact O-N 3.46Å; D310-K314 WeakPolarHBondContact O-CD 3.25Å; D310-K314 WeakPolarHBondContact O-CE 3.28Å; D310-K314 PolarHBondContact O-NZ 3.22Å
311I95.6Very high97.1Very high7 Ų743.7 Ų43.74%0.03624%0.237CC..G310 helixtrans-102.6-3175.967159.3000113.1V273 H277 L286 I308 K309 G313 K314 R315 L317V273-I311 HydrophobicContact CG1-CD1 3.98Å; V273-I311 HydrophobicContact CG1-CG1 4.29Å; V273-I311 HydrophobicContact CG1-CG2 4.29Å; H277-I311 HydrophobicContact CB-CG2 3.76Å; L286-I311 HydrophobicContact CD2-CD1 3.75Å; I308-I311 HydrophobicContact CD1-CD1 3.56Å; I308-I311 HydrophobicContact CD1-CG1 3.91Å; I308-I311 HydrophobicContact CG1-CD1 4.22Å; I308-I311 HydrophobicContact CG1-CG1 4.18Å; I308-I311 VanDerWaalsContact O-CG1 3.23Å; I308-I311 WeakPolarHBondContact O-CG1 3.45Å; I308-I311 PolarHBondContact O-N 2.95Å; K309-I311 PolarHBondContact O-N 3.45Å; I311-G313 PolarHBondContact O-N 2.73Å; I311-K314 WeakPolarHBondContact O-CB 3.35Å; I311-K314 PolarHBondContact O-N 2.77Å; I311-R315 HydrophobicContact CD1-CG 4.49Å; I311-L317 HydrophobicContact CD1-CD1 4.07Å; I311-L317 HydrophobicContact CG1-CD2 4.45Å
312V95.6Very high97.1Very high48 Ų4843.7 Ų43.729%0.29124%0.237SC..THydrogen-bonded Turntrans-60.3131.5176.6173.70000109.7I3 K309 K314 L317 L363I3-V312 HydrophobicContact CD1-CG1 4.01Å; I3-V312 HydrophobicContact CD1-CG2 4.11Å; K309-V312 VanDerWaalsContact O-CB 3.31Å; K309-V312 WeakPolarHBondContact O-CB 3.35Å; K309-V312 WeakPolarHBondContact O-CG2 3.4Å; K309-V312 PolarHBondContact O-N 2.55Å; K309-V312 VanDerWaalsContact O-N 3.15Å; V312-K314 PolarHBondContact O-N 2.94Å; V312-L317 HydrophobicContact CG2-CD2 4.19Å; V312-L363 HydrophobicContact CG2-CB 4.49Å; V312-L363 HydrophobicContact CG2-CD2 3.63Å
313G93.4Very high97.2Very high69 Ų6940.9 Ų40.971%0.71122%0.22SC*.THydrogen-bonded Turntrans76.6-4.8-177.600000115.2I311I311-G313 PolarHBondContact O-N 2.73Å
314K95Very high97.2Very high142 Ų14237.2 Ų37.262%0.61721%0.205SC*.THydrogen-bonded Turntrans-97.9-21.1178-59.4-179.3-175.4162.60113.8D310 I311 V312D310-K314 WeakPolarHBondContact O-CD 3.25Å; D310-K314 WeakPolarHBondContact O-CE 3.28Å; D310-K314 PolarHBondContact O-NZ 3.22Å; I311-K314 WeakPolarHBondContact O-CB 3.35Å; I311-K314 PolarHBondContact O-N 2.77Å; V312-K314 PolarHBondContact O-N 2.94Å
315R94.8Very high97.2Very high11 Ų1135.6 Ų35.64%0.04220%0.198CC..SBendtrans-149.6167171.262.4163.350-126-1110.9H277 L280 P281 W284 I311 L317H277-R315 PolarHBondContact ND1-NE 3.36Å; H277-R315 PolarHBondContact O-NH2 2.89Å; L280-R315 PolarHBondContact O-NH2 3.13Å; L280-R315 VanDerWaalsContact O-NH2 3.11Å; P281-R315 PolarHBondContact O-NH1 3.23Å; P281-R315 PolarHBondContact O-NH2 3.26Å; W284-R315 PolarHBondContact O-NH1 2.99Å; I311-R315 HydrophobicContact CD1-CG 4.49Å; R315-L317 PolarHBondContact O-N 3.37Å
316D96.5Very high97.2Very high59 Ų5934.3 Ų34.332%0.31619%0.194SC..  trans-63.5126.7165.9-78.1-42.3000109.9M1 L285 L286M1-D316 VanDerWaalsContact CB-OD1 3.3Å; M1-D316 WeakPolarHBondContact CB-OD1 3.41Å; M1-D316 WeakPolarHBondContact CE-OD1 3.33Å; M1-D316 WeakPolarHBondContact CG-OD1 3.23Å; L285-D316 HydrophobicContact CB-CB 4.4Å; L285-D316 HydrophobicContact CD1-CB 4.03Å; L286-D316 PolarHBondContact N-O 2.96Å
317L97.9Very high97.3Very high5 Ų532.5 Ų32.53%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-136.4131.3-172.3179.367.5000110I3 L286 A288 I308 I311 V312 R315I3-L317 WeakPolarHBondContact CA-O 3.43Å; I3-L317 HydrophobicContact CD1-CD2 4.02Å; I3-L317 HydrophobicContact CG1-CB 4.3Å; I3-L317 WeakPolarHBondContact CG2-O 3.48Å; L286-L317 HydrophobicContact CB-CD1 4.36Å; L286-L317 HydrophobicContact CD2-CD1 4.43Å; L286-L317 HydrophobicContact CG-CD1 4.33Å; L286-L317 CarbonylContact O-C 3.41Å; L286-L317 WeakPolarHBondContact O-CA 3.27Å; L286-L317 WeakPolarHBondContact O-CD1 3.5Å; A288-L317 HydrophobicContact CB-CD1 4.11Å; I308-L317 HydrophobicContact CD1-CD1 4.26Å; I308-L317 HydrophobicContact CG1-CD1 4.15Å; I308-L317 HydrophobicContact CG1-CD2 3.87Å; I311-L317 HydrophobicContact CD1-CD1 4.07Å; I311-L317 HydrophobicContact CG1-CD2 4.45Å; V312-L317 HydrophobicContact CG2-CD2 4.19Å; R315-L317 PolarHBondContact O-N 3.37Å
318W98.6Very high97.3Very high22 Ų2229.4 Ų29.48%0.08316%0.162CC..EExtended strand (participates in β ladder)trans-115.8148.6163.3-66.8-7.4000110.1L4 H6 L58 K158 W205 L239 L285 L286 S287 A288L4-W318 HydrophobicContact CB-CG 4.22Å; L4-W318 HydrophobicContact CD1-CZ2 4.32Å; L4-W318 CarbonylContact O-C 3.59Å; L4-W318 VanDerWaalsContact O-CA 3.23Å; L4-W318 WeakPolarHBondContact O-CA 3.38Å; L4-W318 WeakPolarHBondContact O-CB 3.14Å; H6-W318 AromaticContact CD2-CE3 3.82Å; H6-W318 AromaticContact NE2-CE3 3.98Å; L58-W318 HydrophobicContact CD2-CE3 4.35Å; L58-W318 HydrophobicContact CD2-CH2 3.58Å; L58-W318 HydrophobicContact CD2-CZ2 4.36Å; L58-W318 HydrophobicContact CD2-CZ3 3.57Å; K158-W318 HydrophobicContact CD-CZ3 4.41Å; W205-W318 HydrophobicContact CB-CH2 4.36Å; W205-W318 AromaticContact CD1-CH2 3.79Å; W205-W318 AromaticContact CD2-CH2 3.84Å; W205-W318 HydrophobicContact CD2-CH2 3.84Å; W205-W318 AromaticContact CE2-CH2 3.92Å; W205-W318 AromaticContact CG-CH2 3.74Å; W205-W318 HydrophobicContact CG-CH2 3.74Å; W205-W318 AromaticContact NE1-CH2 3.89Å; W205-W318 AromaticContact NE1-CZ2 3.96Å; L239-W318 HydrophobicContact CD2-CE3 4.43Å; L239-W318 HydrophobicContact CD2-CZ3 4.19Å; L285-W318 HydrophobicContact CD1-CB 4.29Å; L285-W318 HydrophobicContact CD1-CD2 3.94Å; L285-W318 HydrophobicContact CD1-CG 3.7Å; L285-W318 HydrophobicContact CD2-CD2 3.49Å; L285-W318 VanDerWaalsContact CD2-CD2 3.49Å; L285-W318 VanDerWaalsContact CD2-CE2 3.49Å; L285-W318 HydrophobicContact CD2-CE3 3.59Å; L285-W318 HydrophobicContact CD2-CG 4.15Å; L285-W318 HydrophobicContact CD2-CH2 3.67Å; L285-W318 HydrophobicContact CD2-CZ2 3.6Å; L285-W318 HydrophobicContact CD2-CZ3 3.67Å; L285-W318 HydrophobicContact CG-CD2 4.26Å; L285-W318 HydrophobicContact CG-CG 4.44Å; L286-W318 PolarHBondContact O-N 2.91Å; S287-W318 WeakPolarHBondContact CA-O 3.49Å; A288-W318 PolarHBondContact N-O 2.73Å
319V98.7Very high97.3Very high0 Ų029.4 Ų29.40%016%0.163CC..EExtended strand (participates in β ladder)trans-101.7140.6169-65.10000110.5I3 L4 N5 H6 L290 L356 R360 L363I3-V319 HydrophobicContact CG2-CG1 4.39Å; L4-V319 PolarHBondContact O-N 3.03Å; N5-V319 WeakPolarHBondContact CA-O 3.5Å; N5-V319 HydrophobicContact CB-CG2 3.66Å; H6-V319 PolarHBondContact N-O 3.07Å; H6-V319 VanDerWaalsContact N-O 3.1Å; L290-V319 HydrophobicContact CD1-CG1 3.97Å; V319-L356 HydrophobicContact CB-CD2 4.49Å; V319-L356 HydrophobicContact CG2-CD2 4.47Å; V319-R360 HydrophobicContact CG2-CB 4.04Å; V319-L363 HydrophobicContact CG1-CD1 3.42Å; V319-L363 VanDerWaalsContact CG1-CD1 3.42Å
320A98.9Very high97.4Very high0 Ų025.2 Ų25.20%015%0.145CC..EExtended strand (participates in β ladder)trans-145.9164.5-171.300000113.6H6 L8 S287 A288 G289 L290 I291 L356H6-A320 WeakPolarHBondContact NE2-CB 3.3Å; H6-A320 VanDerWaalsContact O-CA 3.28Å; H6-A320 WeakPolarHBondContact O-CA 3.2Å; L8-A320 HydrophobicContact CD1-CB 3.99Å; S287-A320 WeakPolarHBondContact OG-CB 3.3Å; A288-A320 PolarHBondContact O-N 2.58Å; G289-A320 CarbonylContact C-O 3.55Å; G289-A320 WeakPolarHBondContact CA-O 3.45Å; L290-A320 PolarHBondContact N-O 2.8Å; I291-A320 PolarHBondContact N-O 2.7Å; A320-L356 WeakPolarHBondContact O-CD2 3.37Å
321S98.9Very high97.5Very high0 Ų021 Ų210%012%0.122CC..EExtended strand (participates in β ladder)trans-63.7145.6160.660.40000109.6L8 H263 I291 C323L8-S321 WeakPolarHBondContact CD1-O 3.36Å; L8-S321 PolarHBondContact N-OG 3.26Å; H263-S321 PolarHBondContact CE1-O 2.9Å; I291-S321 CarbonylContact O-C 3.58Å; I291-S321 VanDerWaalsContact O-CA 3.31Å; I291-S321 WeakPolarHBondContact O-CA 3.44Å; S321-C323 VanDerWaalsContact CB-O 3.29Å; S321-C323 WeakPolarHBondContact CB-O 3.47Å; S321-C323 PolarHBondContact O-N 2.63Å; S321-C323 PolarHBondContact OG-O 3.45Å
322S98.8Very high97.7Very high0 Ų021.1 Ų21.10%012%0.123CC..SBendtrans-64.2-26-176.871.60000113.8Y243 H263 D265 I291 G293Y243-S322 VanDerWaalsContact CB-O 3.28Å; Y243-S322 WeakPolarHBondContact CB-O 3.29Å; H263-S322 PolarHBondContact NE2-O 2.92Å; D265-S322 WeakPolarHBondContact OD1-CB 3.49Å; I291-S322 PolarHBondContact O-N 3.28Å; G293-S322 PolarHBondContact N-OG 3.14Å; G293-S322 VanDerWaalsContact N-OG 3.08Å
323C98.8Very high97.7Very high0 Ų022.1 Ų22.10%013%0.132CC..SBendtrans-153.5-173.6174.461.80000107.9Y243 F244 G293 S321 L325Y243-C323 HydrophobicContact CD2-CB 4.4Å; Y243-C323 HydrophobicContact CG-CB 4.02Å; F244-C323 HydrophobicContact CD1-CB 3.97Å; F244-C323 HydrophobicContact CE1-CB 3.46Å; F244-C323 VanDerWaalsContact CE1-CB 3.46Å; F244-C323 HydrophobicContact CZ-CB 4.36Å; G293-C323 VanDerWaalsContact CA-SG 3.59Å; S321-C323 VanDerWaalsContact CB-O 3.29Å; S321-C323 WeakPolarHBondContact CB-O 3.47Å; S321-C323 PolarHBondContact O-N 2.63Å; S321-C323 PolarHBondContact OG-O 3.45Å; C323-L325 PolarHBondContact O-N 3.06Å
324S98.9Very high97.9Very high21 Ų2121 Ų2115%0.14711%0.111CC..  trans-57.3138.1170.5178.90000111.4G9 L326 H327G9-S324 WeakPolarHBondContact CA-OG 3.22Å; S324-L326 PolarHBondContact O-N 3.11Å; S324-L326 VanDerWaalsContact O-N 3.13Å; S324-L326 VanDerWaalsContact OG-CB 3.32Å; S324-L326 WeakPolarHBondContact OG-CB 3.25Å; S324-L326 PolarHBondContact OG-N 3.38Å; S324-H327 PolarHBondContact O-CD2 3.22Å
325L98.8Very high98Very high0 Ų014.2 Ų14.20%08%0.082CC..G310 helixtrans-71.5-0173.8-60.7-178.9000112.5T7 G9 F10 P11 C323 H327 S328 A349 K352T7-L325 HydrophobicContact CG2-CD1 3.75Å; T7-L325 HydrophobicContact CG2-CG 4.44Å; G9-L325 WeakPolarHBondContact O-CB 3.43Å; G9-L325 PolarHBondContact O-N 3.45Å; F10-L325 HydrophobicContact CD2-CD1 4.28Å; F10-L325 HydrophobicContact CE2-CD1 4.5Å; P11-L325 WeakPolarHBondContact CD-O 3.28Å; P11-L325 VanDerWaalsContact CG-O 3.24Å; P11-L325 WeakPolarHBondContact CG-O 3.44Å; C323-L325 PolarHBondContact O-N 3.06Å; L325-H327 PolarHBondContact O-N 2.86Å; L325-S328 WeakPolarHBondContact O-CB 3.44Å; L325-S328 PolarHBondContact O-N 3.47Å; L325-A349 HydrophobicContact CB-CB 4.14Å; L325-A349 HydrophobicContact CD1-CB 4.04Å; L325-K352 HydrophobicContact CD1-CB 4.4Å; L325-K352 HydrophobicContact CD2-CB 4.28Å; L325-K352 HydrophobicContact CD2-CD 3.76Å
326L98.6Very high98Very high14 Ų1419.1 Ų19.17%0.07311%0.113CC..G310 helixtrans-46.1-31.6171.6176.763.8000113.4Y123 S324 S328 Q510Y123-L326 HydrophobicContact CD1-CD2 4.31Å; Y123-L326 HydrophobicContact CD2-CD2 3.95Å; Y123-L326 HydrophobicContact CE1-CD2 4.35Å; Y123-L326 HydrophobicContact CE2-CD2 3.93Å; Y123-L326 HydrophobicContact CG-CD2 4.14Å; S324-L326 PolarHBondContact O-N 3.11Å; S324-L326 VanDerWaalsContact O-N 3.13Å; S324-L326 VanDerWaalsContact OG-CB 3.32Å; S324-L326 WeakPolarHBondContact OG-CB 3.25Å; S324-L326 PolarHBondContact OG-N 3.38Å; L326-S328 VanDerWaalsContact C-N 3.31Å; L326-Q510 HydrophobicContact CD1-CB 4.31Å
327H98.3Very high97.9Very high13 Ų1324 Ų246%0.0613%0.127CC..G310 helixtrans-88.26.5-178.4-48.7-68.6000113.8F244 G293 S324 L325F244-H327 AromaticContact CZ-NE2 3.62Å; G293-H327 CarbonylContact O-C 3.59Å; S324-H327 PolarHBondContact O-CD2 3.22Å; L325-H327 PolarHBondContact O-N 2.86Å
328S97.7Very high97.8Very high0 Ų024.8 Ų24.80%013%0.131CC..SBendtrans-116.5150176.8-161.80000110.5P11 L325 L326P11-S328 VanDerWaalsContact CG-O 3.23Å; P11-S328 WeakPolarHBondContact CG-O 3.44Å; L325-S328 WeakPolarHBondContact O-CB 3.44Å; L325-S328 PolarHBondContact O-N 3.47Å; L326-S328 VanDerWaalsContact C-N 3.31Å
329P98.1Very high97.6Very high1 Ų126.7 Ų26.71%0.00614%0.143CC..  trans-66.3168.9167.3-11.927.3000111.5V296 F348 A349 V509 F563V296-P329 HydrophobicContact CG1-CG 4.13Å; P329-F348 HydrophobicContact CB-CD1 4.44Å; P329-F348 HydrophobicContact CB-CD2 3.58Å; P329-F348 HydrophobicContact CB-CE2 3.82Å; P329-F348 HydrophobicContact CB-CG 3.94Å; P329-F348 HydrophobicContact CB-CZ 4.37Å; P329-F348 HydrophobicContact CG-CD1 4.18Å; P329-F348 HydrophobicContact CG-CD2 4.12Å; P329-F348 HydrophobicContact CG-CE1 4.17Å; P329-F348 HydrophobicContact CG-CE2 4.1Å; P329-F348 HydrophobicContact CG-CG 4.18Å; P329-F348 HydrophobicContact CG-CZ 4.14Å; P329-F348 WeakPolarHBondContact O-CB 3.4Å; P329-A349 VanDerWaalsContact O-CB 3.26Å; P329-A349 WeakPolarHBondContact O-CB 3.28Å; P329-A349 PolarHBondContact O-N 3.13Å; P329-V509 HydrophobicContact CG-CG2 4.04Å; P329-F563 HydrophobicContact CG-CE2 4.25Å; P329-F563 HydrophobicContact CG-CZ 4.41Å
330I98.1Very high97.5Very high7 Ų730.8 Ų30.84%0.03618%0.176CC..SBendtrans-80.5-58.1-170.2-68.6168.1000112.9F10 P11 L15 A349 L350F10-I330 HydrophobicContact CE1-CG2 4.32Å; F10-I330 HydrophobicContact CZ-CG2 4.32Å; P11-I330 HydrophobicContact CB-CD1 4.14Å; P11-I330 HydrophobicContact CB-CG1 3.61Å; P11-I330 HydrophobicContact CG-CG1 3.89Å; L15-I330 HydrophobicContact CD1-CB 4.21Å; L15-I330 HydrophobicContact CD1-CG2 4.3Å; I330-A349 PolarHBondContact O-N 2.77Å; I330-L350 HydrophobicContact CG2-CG 4.43Å; I330-L350 WeakPolarHBondContact O-CG 3.48Å; I330-L350 PolarHBondContact O-N 3.1Å
331D98.1Very high97.4Very high22 Ų2234.7 Ų34.712%0.11820%0.195CC..  trans-141.6118.9-168.6-175.611.9000112.5L15 S333 V334 L350 Q351L15-D331 HydrophobicContact CD1-CB 3.98Å; D331-S333 VanDerWaalsContact C-N 3.26Å; D331-S333 VanDerWaalsContact CG-OG 3.23Å; D331-S333 PolarHBondContact O-N 3.33Å; D331-S333 VanDerWaalsContact OD1-CB 3.24Å; D331-S333 WeakPolarHBondContact OD1-CB 3.23Å; D331-S333 PolarHBondContact OD1-N 3.12Å; D331-S333 PolarHBondContact OD1-OG 2.91Å; D331-S333 PolarHBondContact OD2-OG 3.5Å; D331-V334 WeakPolarHBondContact O-CG2 3.24Å; D331-L350 HydrophobicContact CB-CD1 3.85Å; D331-L350 HydrophobicContact CB-CG 4.4Å; D331-Q351 PolarHBondContact OD1-NE2 2.8Å
332L98.3Very high97.3Very high9 Ų934.7 Ų34.75%0.04720%0.195CC..G310 helixtrans-71.4-22.5176.9-176.664.4000112.2V334 E335 L338 K343 F346 F348 Q351L332-V334 PolarHBondContact O-N 3.47Å; L332-E335 HydrophobicContact CD1-CB 4.26Å; L332-E335 HydrophobicContact CD1-CG 4.06Å; L332-E335 WeakPolarHBondContact O-CB 3.43Å; L332-E335 PolarHBondContact O-N 2.81Å; L332-L338 HydrophobicContact CD1-CD1 4.26Å; L332-K343 HydrophobicContact CD1-CG 4.13Å; L332-K343 HydrophobicContact CD2-CG 4.23Å; L332-K343 HydrophobicContact CG-CG 4.09Å; L332-K343 WeakPolarHBondContact O-CE 3.45Å; L332-K343 PolarHBondContact O-NZ 3.35Å; L332-F346 HydrophobicContact CD1-CB 4.02Å; L332-F346 HydrophobicContact CD1-CD2 4.35Å; L332-F346 HydrophobicContact CD2-CB 3.78Å; L332-F346 WeakPolarHBondContact CD2-O 3.49Å; L332-F348 HydrophobicContact CB-CB 4.19Å; L332-F348 HydrophobicContact CB-CD1 4.37Å; L332-F348 HydrophobicContact CB-CD2 3.95Å; L332-F348 HydrophobicContact CB-CE2 4.4Å; L332-F348 HydrophobicContact CB-CG 3.92Å; L332-F348 HydrophobicContact CD1-CD1 4.29Å; L332-F348 HydrophobicContact CD1-CD2 4.38Å; L332-F348 HydrophobicContact CD1-CE1 3.9Å; L332-F348 HydrophobicContact CD1-CE2 4.02Å; L332-F348 HydrophobicContact CD1-CG 4.5Å; L332-F348 HydrophobicContact CD1-CZ 3.75Å; L332-F348 VanDerWaalsContact N-CD2 3.31Å; L332-Q351 HydrophobicContact CB-CG 4.37Å; L332-Q351 VanDerWaalsContact CB-OE1 3.28Å
333S96.9Very high97.3Very high70 Ų7037.3 Ų37.349%0.4921%0.206SC..G310 helixtrans-58.9-34.3-174.6870000111.9D331 E335 K343D331-S333 VanDerWaalsContact C-N 3.26Å; D331-S333 VanDerWaalsContact CG-OG 3.23Å; D331-S333 PolarHBondContact O-N 3.33Å; D331-S333 VanDerWaalsContact OD1-CB 3.24Å; D331-S333 WeakPolarHBondContact OD1-CB 3.23Å; D331-S333 PolarHBondContact OD1-N 3.12Å; D331-S333 PolarHBondContact OD1-OG 2.91Å; D331-S333 PolarHBondContact OD2-OG 3.5Å; S333-E335 VanDerWaalsContact C-N 3.32Å; S333-E335 PolarHBondContact O-N 2.8Å; S333-K343 PolarHBondContact O-NZ 2.72Å; S333-K343 VanDerWaalsContact O-NZ 3.12Å
334V96.2Very high97.2Very high45 Ų4538.9 Ų38.927%0.27322%0.217SC..G310 helixtrans-83.5-0.7-179-56.40000114.9L15 D331 L332 T336 N506L15-V334 HydrophobicContact CD1-CG2 3.77Å; L15-V334 HydrophobicContact CD2-CG1 3.95Å; L15-V334 HydrophobicContact CD2-CG2 4.31Å; L15-V334 HydrophobicContact CG-CG2 4.36Å; D331-V334 WeakPolarHBondContact O-CG2 3.24Å; L332-V334 PolarHBondContact O-N 3.47Å; V334-T336 PolarHBondContact O-N 3.4Å; V334-N506 HydrophobicContact CG2-CB 3.99Å; V334-N506 PolarHBondContact O-ND2 3Å
335E97.1Very high97.2Very high0 Ų038.1 Ų38.10%021%0.211CC..  trans-78.2104170.5-65.5-59146.800109.6L332 S333 L338 K343 F348 T504 Q505 N506 G507L332-E335 HydrophobicContact CD1-CB 4.26Å; L332-E335 HydrophobicContact CD1-CG 4.06Å; L332-E335 WeakPolarHBondContact O-CB 3.43Å; L332-E335 PolarHBondContact O-N 2.81Å; S333-E335 VanDerWaalsContact C-N 3.32Å; S333-E335 PolarHBondContact O-N 2.8Å; E335-L338 HydrophobicContact CB-CD1 3.98Å; E335-L338 HydrophobicContact CB-CG 4.41Å; E335-L338 HydrophobicContact CG-CD1 4.29Å; E335-K343 WeakPolarHBondContact O-CE 3.41Å; E335-K343 PolarHBondContact O-NZ 3.26Å; E335-F348 HydrophobicContact CG-CE2 3.82Å; E335-F348 HydrophobicContact CG-CZ 4.22Å; E335-T504 WeakPolarHBondContact OE2-CA 3.45Å; E335-Q505 PolarHBondContact OE2-N 3.27Å; E335-N506 VanDerWaalsContact OE1-C 3.25Å; E335-N506 WeakPolarHBondContact OE1-CA 3.44Å; E335-N506 WeakPolarHBondContact OE1-CB 3.13Å; E335-N506 PolarHBondContact OE1-N 2.93Å; E335-G507 PolarHBondContact OE1-N 3.43Å; E335-G507 VanDerWaalsContact OE1-N 3.1Å
336T95.6Very high97.2Very high113 Ų11338.1 Ų38.169%0.69321%0.211SC*.  trans-103.9-10.2-174.359.10000113.9V334 Q505V334-T336 PolarHBondContact O-N 3.4Å; T336-Q505 PolarHBondContact OG1-OE1 2.91Å; T336-Q505 VanDerWaalsContact OG1-OE1 3.06Å
337R93.6Very high97.2Very high163 Ų16337.5 Ų37.562%0.61521%0.208SC*.SBendtrans-96.6-13178.4-73.2-178-170.6-166.7-1.7114.9Q505R337-Q505 HydrophobicContact CB-CG 4.16Å; R337-Q505 VanDerWaalsContact CD-CD 3.49Å; R337-Q505 VanDerWaalsContact CG-CD 3.41Å; R337-Q505 HydrophobicContact CG-CG 4.09Å; R337-Q505 VanDerWaalsContact NE-NE2 3.13Å
338L96Very high97.2Very high20 Ų2036.9 Ų36.911%0.10521%0.205CC..SBendtrans-74.1132.1172.1-65.7175.4000108.8L332 E335 V342 K343 F346 V502L332-L338 HydrophobicContact CD1-CD1 4.26Å; E335-L338 HydrophobicContact CB-CD1 3.98Å; E335-L338 HydrophobicContact CB-CG 4.41Å; E335-L338 HydrophobicContact CG-CD1 4.29Å; L338-V342 HydrophobicContact CD2-CG1 4.34Å; L338-K343 HydrophobicContact CB-CB 3.95Å; L338-K343 HydrophobicContact CB-CG 4.47Å; L338-F346 HydrophobicContact CD1-CD2 3.96Å; L338-F346 HydrophobicContact CD1-CE2 3.99Å; L338-V502 HydrophobicContact CD2-CB 4.19Å; L338-V502 HydrophobicContact CD2-CG2 4.21Å
339D95.2Very high97.3Very high62 Ų6236.9 Ų36.933%0.33221%0.205SC..  trans-64.2157.5172.368.883.2000111.1E341 V342 K343 R386D339-E341 VanDerWaalsContact C-N 3.3Å; D339-E341 PolarHBondContact O-N 2.79Å; D339-E341 WeakPolarHBondContact OD1-CB 3.47Å; D339-E341 PolarHBondContact OD1-N 3.46Å; D339-V342 PolarHBondContact O-N 2.92Å; D339-V342 PolarHBondContact OD1-N 2.94Å; D339-K343 WeakPolarHBondContact O-CB 3.48Å; D339-K343 PolarHBondContact O-N 2.97Å; D339-R386 IonicContact OD1-CZ 3.93Å; D339-R386 IonicContact OD1-NH1 3.6Å; D339-R386 PolarHBondContact OD1-NH1 3.26Å; D339-R386 IonicContact OD2-CZ 2.76Å; D339-R386 VanDerWaalsContact OD2-CZ 3.3Å; D339-R386 IonicContact OD2-NH1 3.62Å; D339-R386 PolarHBondContact OD2-NH1 3.44Å; D339-R386 IonicContact OD2-NH2 3.8Å; D339-R386 PolarHBondContact OD2-NH2 3.41Å
340A96.5Very high97.3Very high86 Ų8638 Ų3871%0.71121%0.211SC*.Hα-helixtrans-61.7-36.3-171.200000113.3S344A340-S344 WeakPolarHBondContact O-CB 3.45Å; A340-S344 PolarHBondContact O-N 3.39Å; A340-S344 VanDerWaalsContact O-N 3.08Å
341E96.6Very high97.3Very high83 Ų8339.3 Ų39.339%0.38822%0.217SC..Hα-helixtrans-65.5-56.4179.2-174.2-164-169.500109.9D339 K343 S344 W345 S384 R386D339-E341 VanDerWaalsContact C-N 3.3Å; D339-E341 PolarHBondContact O-N 2.79Å; D339-E341 WeakPolarHBondContact OD1-CB 3.47Å; D339-E341 PolarHBondContact OD1-N 3.46Å; E341-K343 PolarHBondContact O-N 2.73Å; E341-S344 WeakPolarHBondContact O-CB 3.23Å; E341-S344 PolarHBondContact O-N 2.97Å; E341-S344 VanDerWaalsContact O-N 3.12Å; E341-S344 PolarHBondContact O-OG 3.49Å; E341-W345 HydrophobicContact CG-CH2 4.47Å; E341-W345 HydrophobicContact CG-CZ2 3.64Å; E341-W345 PolarHBondContact O-NE1 3.39Å; E341-W345 WeakPolarHBondContact OE1-CZ2 3.32Å; E341-S384 PolarHBondContact OE1-OG 3.31Å; E341-S384 VanDerWaalsContact OE1-OG 3.1Å; E341-R386 WeakPolarHBondContact OE2-CD 3.42Å; E341-R386 IonicContact OE2-NH1 3.45Å; E341-R386 PolarHBondContact OE2-NH1 2.86Å
342V97Very high97.4Very high0 Ų038.3 Ų38.30%021%0.212CC..Hα-helixtrans-64.2-42.3-179.4163.20000112L338 D339 S344 W345 F346 R386 V502 I523L338-V342 HydrophobicContact CD2-CG1 4.34Å; D339-V342 PolarHBondContact O-N 2.92Å; D339-V342 PolarHBondContact OD1-N 2.94Å; V342-S344 PolarHBondContact O-N 2.95Å; V342-W345 HydrophobicContact CB-CE3 4.38Å; V342-W345 HydrophobicContact CB-CZ3 4.49Å; V342-W345 HydrophobicContact CG2-CE3 3.94Å; V342-W345 HydrophobicContact CG2-CH2 4.04Å; V342-W345 HydrophobicContact CG2-CZ3 3.6Å; V342-W345 WeakPolarHBondContact O-CB 3.03Å; V342-W345 PolarHBondContact O-N 3.27Å; V342-F346 HydrophobicContact CG1-CD2 4.42Å; V342-F346 HydrophobicContact CG1-CE2 3.45Å; V342-F346 VanDerWaalsContact CG1-CE2 3.45Å; V342-F346 HydrophobicContact CG1-CZ 3.65Å; V342-R386 VanDerWaalsContact CG2-NH1 3.25Å; V342-V502 HydrophobicContact CG1-CG1 4.25Å; V342-V502 HydrophobicContact CG1-CG2 4.04Å; V342-I523 HydrophobicContact CG1-CG2 4.35Å; V342-I523 HydrophobicContact CG2-CD1 3.77Å
343K98.2Very high97.4Very high54 Ų5437.9 Ų37.924%0.23521%0.209CC..Hα-helixtrans-57.6-35.6176.8-172.3174.4-179.3172.50111L332 S333 E335 L338 D339 E341 W345 F346L332-K343 HydrophobicContact CD1-CG 4.13Å; L332-K343 HydrophobicContact CD2-CG 4.23Å; L332-K343 HydrophobicContact CG-CG 4.09Å; L332-K343 WeakPolarHBondContact O-CE 3.45Å; L332-K343 PolarHBondContact O-NZ 3.35Å; S333-K343 PolarHBondContact O-NZ 2.72Å; S333-K343 VanDerWaalsContact O-NZ 3.12Å; E335-K343 WeakPolarHBondContact O-CE 3.41Å; E335-K343 PolarHBondContact O-NZ 3.26Å; L338-K343 HydrophobicContact CB-CB 3.95Å; L338-K343 HydrophobicContact CB-CG 4.47Å; D339-K343 WeakPolarHBondContact O-CB 3.48Å; D339-K343 PolarHBondContact O-N 2.97Å; E341-K343 PolarHBondContact O-N 2.73Å; K343-W345 PolarHBondContact O-N 2.98Å; K343-F346 PolarHBondContact O-N 3.3Å
344S98Very high97.5Very high34 Ų3438.3 Ų38.324%0.23820%0.203CC..Hα-helixtrans-65.6-20179.278.20000113.8R298 A340 E341 V342 F346 P377R298-S344 VanDerWaalsContact CZ-O 3.26Å; R298-S344 PolarHBondContact NE-O 3.43Å; R298-S344 PolarHBondContact NH2-O 3.32Å; A340-S344 WeakPolarHBondContact O-CB 3.45Å; A340-S344 PolarHBondContact O-N 3.39Å; A340-S344 VanDerWaalsContact O-N 3.08Å; E341-S344 WeakPolarHBondContact O-CB 3.23Å; E341-S344 PolarHBondContact O-N 2.97Å; E341-S344 VanDerWaalsContact O-N 3.12Å; E341-S344 PolarHBondContact O-OG 3.49Å; V342-S344 PolarHBondContact O-N 2.95Å; S344-F346 VanDerWaalsContact C-N 3.31Å; S344-F346 PolarHBondContact O-N 2.99Å; S344-P377 WeakPolarHBondContact O-CB 3.23Å; S344-P377 WeakPolarHBondContact OG-CB 3.09Å
345W98.5Very high97.6Very high5 Ų536.1 Ų36.12%0.01919%0.19CC..THydrogen-bonded Turntrans-82.1-6.6178.9-53.4-21.8000114.2W297 R298 E341 V342 K343 R381 R386 V387 I523W297-W345 HydrophobicContact CE3-CB 4.21Å; W297-W345 HydrophobicContact CZ3-CB 3.94Å; W297-W345 HydrophobicContact CZ3-CE3 4.32Å; R298-W345 VanDerWaalsContact CB-O 3.26Å; R298-W345 WeakPolarHBondContact CB-O 3.21Å; R298-W345 PolarHBondContact N-O 2.97Å; E341-W345 HydrophobicContact CG-CH2 4.47Å; E341-W345 HydrophobicContact CG-CZ2 3.64Å; E341-W345 PolarHBondContact O-NE1 3.39Å; E341-W345 WeakPolarHBondContact OE1-CZ2 3.32Å; V342-W345 HydrophobicContact CB-CE3 4.38Å; V342-W345 HydrophobicContact CB-CZ3 4.49Å; V342-W345 HydrophobicContact CG2-CE3 3.94Å; V342-W345 HydrophobicContact CG2-CH2 4.04Å; V342-W345 HydrophobicContact CG2-CZ3 3.6Å; V342-W345 WeakPolarHBondContact O-CB 3.03Å; V342-W345 PolarHBondContact O-N 3.27Å; K343-W345 PolarHBondContact O-N 2.98Å; W345-R381 HydrophobicContact CD2-CB 4.16Å; W345-R381 HydrophobicContact CD2-CG 3.8Å; W345-R381 HydrophobicContact CE3-CG 4.06Å; W345-R381 HydrophobicContact CG-CB 4.23Å; W345-R381 HydrophobicContact CG-CG 4.2Å; W345-R381 HydrophobicContact CH2-CG 4.41Å; W345-R381 HydrophobicContact CZ2-CB 4.39Å; W345-R381 HydrophobicContact CZ2-CG 4.18Å; W345-R381 HydrophobicContact CZ3-CG 4.35Å; W345-R386 HydrophobicContact CH2-CB 4.31Å; W345-V387 HydrophobicContact CH2-CG2 3.96Å; W345-V387 HydrophobicContact CZ3-CG2 4.13Å; W345-I523 HydrophobicContact CZ3-CB 4.25Å; W345-I523 HydrophobicContact CZ3-CD1 4.34Å
346F98.7Very high97.7Very high0 Ų036.2 Ų36.20%019%0.19CC..BIsolated β-bridgetrans-108.8156.9-173-56.1-34.9000113.3V296 W297 L332 L338 V342 K343 S344 F348 V502 I521 I523V296-F346 HydrophobicContact CG2-CD1 4.15Å; V296-F346 HydrophobicContact CG2-CE1 4.39Å; V296-F346 CarbonylContact O-C 3.54Å; V296-F346 WeakPolarHBondContact O-CA 3.37Å; V296-F346 WeakPolarHBondContact O-CB 3.3Å; W297-F346 HydrophobicContact CD2-CE1 4.46Å; W297-F346 AromaticContact CE3-CD1 4Å; W297-F346 HydrophobicContact CE3-CD1 4Å; W297-F346 AromaticContact CE3-CE1 3.91Å; W297-F346 HydrophobicContact CE3-CE1 3.91Å; W297-F346 AromaticContact CH2-CE1 3.84Å; W297-F346 HydrophobicContact CH2-CE1 3.84Å; W297-F346 HydrophobicContact CZ2-CE1 4.39Å; W297-F346 HydrophobicContact CZ3-CD1 4.08Å; W297-F346 AromaticContact CZ3-CE1 3.55Å; W297-F346 HydrophobicContact CZ3-CE1 3.55Å; L332-F346 HydrophobicContact CD1-CB 4.02Å; L332-F346 HydrophobicContact CD1-CD2 4.35Å; L332-F346 HydrophobicContact CD2-CB 3.78Å; L332-F346 WeakPolarHBondContact CD2-O 3.49Å; L338-F346 HydrophobicContact CD1-CD2 3.96Å; L338-F346 HydrophobicContact CD1-CE2 3.99Å; V342-F346 HydrophobicContact CG1-CD2 4.42Å; V342-F346 HydrophobicContact CG1-CE2 3.45Å; V342-F346 VanDerWaalsContact CG1-CE2 3.45Å; V342-F346 HydrophobicContact CG1-CZ 3.65Å; K343-F346 PolarHBondContact O-N 3.3Å; S344-F346 VanDerWaalsContact C-N 3.31Å; S344-F346 PolarHBondContact O-N 2.99Å; F346-F348 HydrophobicContact CB-CE1 4.47Å; F346-V502 HydrophobicContact CE2-CG2 4.18Å; F346-V502 HydrophobicContact CZ-CG2 4Å; F346-I521 HydrophobicContact CD2-CD1 4.22Å; F346-I521 HydrophobicContact CE1-CD1 4.33Å; F346-I521 HydrophobicContact CE1-CG2 3.76Å; F346-I521 HydrophobicContact CE2-CD1 3.69Å; F346-I521 HydrophobicContact CZ-CB 4.29Å; F346-I521 HydrophobicContact CZ-CD1 3.76Å; F346-I521 HydrophobicContact CZ-CG2 3.72Å; F346-I523 HydrophobicContact CE1-CG2 4.24Å; F346-I523 HydrophobicContact CZ-CG2 3.7Å
347A98.7Very high97.9Very high0 Ų031.1 Ų31.10%016%0.16CC..  trans-143.8120.1167.700000108.7V296 R298 Q351 K352 E355V296-A347 CarbonylContact C-O 3.49Å; V296-A347 PolarHBondContact O-N 2.88Å; R298-A347 HydrophobicContact CB-CB 4.4Å; A347-Q351 HydrophobicContact CB-CB 3.7Å; A347-K352 HydrophobicContact CB-CG 4.17Å; A347-K352 WeakPolarHBondContact O-CE 3.42Å; A347-K352 PolarHBondContact O-NZ 3.25Å; A347-E355 WeakPolarHBondContact CB-OE1 3.32Å
348F98.6Very high98.1Very high1 Ų124.5 Ų24.50%0.00414%0.137CC..  trans-92-174.8171.4-69.22.4000109.6V296 P329 L332 E335 F346 L350 Q351 K352 T504V296-F348 HydrophobicContact CB-CD1 4.08Å; V296-F348 HydrophobicContact CB-CE1 3.85Å; V296-F348 HydrophobicContact CG1-CD1 3.94Å; V296-F348 HydrophobicContact CG1-CE1 3.72Å; P329-F348 HydrophobicContact CB-CD1 4.44Å; P329-F348 HydrophobicContact CB-CD2 3.58Å; P329-F348 HydrophobicContact CB-CE2 3.82Å; P329-F348 HydrophobicContact CB-CG 3.94Å; P329-F348 HydrophobicContact CB-CZ 4.37Å; P329-F348 HydrophobicContact CG-CD1 4.18Å; P329-F348 HydrophobicContact CG-CD2 4.12Å; P329-F348 HydrophobicContact CG-CE1 4.17Å; P329-F348 HydrophobicContact CG-CE2 4.1Å; P329-F348 HydrophobicContact CG-CG 4.18Å; P329-F348 HydrophobicContact CG-CZ 4.14Å; P329-F348 WeakPolarHBondContact O-CB 3.4Å; L332-F348 HydrophobicContact CB-CB 4.19Å; L332-F348 HydrophobicContact CB-CD1 4.37Å; L332-F348 HydrophobicContact CB-CD2 3.95Å; L332-F348 HydrophobicContact CB-CE2 4.4Å; L332-F348 HydrophobicContact CB-CG 3.92Å; L332-F348 HydrophobicContact CD1-CD1 4.29Å; L332-F348 HydrophobicContact CD1-CD2 4.38Å; L332-F348 HydrophobicContact CD1-CE1 3.9Å; L332-F348 HydrophobicContact CD1-CE2 4.02Å; L332-F348 HydrophobicContact CD1-CG 4.5Å; L332-F348 HydrophobicContact CD1-CZ 3.75Å; L332-F348 VanDerWaalsContact N-CD2 3.31Å; E335-F348 HydrophobicContact CG-CE2 3.82Å; E335-F348 HydrophobicContact CG-CZ 4.22Å; F346-F348 HydrophobicContact CB-CE1 4.47Å; F348-L350 VanDerWaalsContact C-N 3.33Å; F348-L350 PolarHBondContact O-N 3.34Å; F348-Q351 CarbonylContact O-C 3.41Å; F348-Q351 PolarHBondContact O-N 3.02Å; F348-K352 WeakPolarHBondContact O-CG 3.48Å; F348-K352 PolarHBondContact O-N 3.15Å; F348-T504 HydrophobicContact CZ-CG2 3.89Å
349A98.8Very high98.2Very high0 Ų023.6 Ų23.60%013%0.132CC..Hα-helixtrans-52.5-44.3-171.600000113.9F10 P11 L325 P329 I330 K352 C353F10-A349 HydrophobicContact CD2-CB 4.34Å; F10-A349 HydrophobicContact CE2-CB 3.65Å; F10-A349 HydrophobicContact CZ-CB 3.92Å; P11-A349 HydrophobicContact CG-CB 3.87Å; L325-A349 HydrophobicContact CB-CB 4.14Å; L325-A349 HydrophobicContact CD1-CB 4.04Å; P329-A349 VanDerWaalsContact O-CB 3.26Å; P329-A349 WeakPolarHBondContact O-CB 3.28Å; P329-A349 PolarHBondContact O-N 3.13Å; I330-A349 PolarHBondContact O-N 2.77Å; A349-K352 PolarHBondContact O-N 3.18Å; A349-C353 PolarHBondContact O-N 3.04Å; A349-C353 PolarHBondContact O-SG 3.08Å
350L98.6Very high98.4Very high24 Ų2422.1 Ų22.113%0.12612%0.122CC..Hα-helixtrans-67.1-39.9177.1-66.6-173.3000113.1F10 Q50 I330 D331 F348 K352 C353 H354F10-L350 HydrophobicContact CE2-CD2 4.04Å; F10-L350 HydrophobicContact CZ-CD2 3.58Å; F10-L350 HydrophobicContact CZ-CG 4.28Å; Q50-L350 HydrophobicContact CB-CD2 3.73Å; I330-L350 HydrophobicContact CG2-CG 4.43Å; I330-L350 WeakPolarHBondContact O-CG 3.48Å; I330-L350 PolarHBondContact O-N 3.1Å; D331-L350 HydrophobicContact CB-CD1 3.85Å; D331-L350 HydrophobicContact CB-CG 4.4Å; F348-L350 VanDerWaalsContact C-N 3.33Å; F348-L350 PolarHBondContact O-N 3.34Å; L350-K352 VanDerWaalsContact C-N 3.31Å; L350-C353 WeakPolarHBondContact O-CB 3.25Å; L350-C353 PolarHBondContact O-N 2.97Å; L350-H354 PolarHBondContact O-N 3.29Å; L350-H354 VanDerWaalsContact O-N 3.14Å
351Q98.8Very high98.5Very high35 Ų3521.6 Ų21.616%0.16411%0.107CC..Hα-helixtrans-67.7-34.9175.5-7072.638.700111D331 L332 A347 F348 C353 H354 E355 W374D331-Q351 PolarHBondContact OD1-NE2 2.8Å; L332-Q351 HydrophobicContact CB-CG 4.37Å; L332-Q351 VanDerWaalsContact CB-OE1 3.28Å; A347-Q351 HydrophobicContact CB-CB 3.7Å; F348-Q351 CarbonylContact O-C 3.41Å; F348-Q351 PolarHBondContact O-N 3.02Å; Q351-C353 VanDerWaalsContact C-N 3.35Å; Q351-H354 CarbonylContact O-C 3.54Å; Q351-H354 WeakPolarHBondContact O-CA 3.3Å; Q351-H354 WeakPolarHBondContact O-CB 3.32Å; Q351-H354 PolarHBondContact O-N 3.23Å; Q351-H354 VanDerWaalsContact O-N 3.13Å; Q351-E355 WeakPolarHBondContact O-CG 3.29Å; Q351-E355 PolarHBondContact O-N 3.44Å; Q351-W374 HydrophobicContact CB-CH2 4.36Å
352K98.9Very high98.6Very high1 Ų117.8 Ų17.80%0.0049%0.09CC..Hα-helixtrans-65.8-35.8173.2-70.6176.7-173.4-60.20112.4I291 N292 N295 W297 L325 A347 F348 A349 L350 H354 E355 L356I291-K352 HydrophobicContact CG2-CB 3.75Å; I291-K352 HydrophobicContact CG2-CD 4.19Å; I291-K352 HydrophobicContact CG2-CG 3.74Å; N292-K352 WeakPolarHBondContact O-CD 3.4Å; N292-K352 WeakPolarHBondContact O-CE 3.48Å; N292-K352 PolarHBondContact O-NZ 2.85Å; N295-K352 WeakPolarHBondContact O-CE 3.49Å; N295-K352 PolarHBondContact O-NZ 3.36Å; W297-K352 PolarHBondContact O-NZ 3.15Å; L325-K352 HydrophobicContact CD1-CB 4.4Å; L325-K352 HydrophobicContact CD2-CB 4.28Å; L325-K352 HydrophobicContact CD2-CD 3.76Å; A347-K352 HydrophobicContact CB-CG 4.17Å; A347-K352 WeakPolarHBondContact O-CE 3.42Å; A347-K352 PolarHBondContact O-NZ 3.25Å; F348-K352 WeakPolarHBondContact O-CG 3.48Å; F348-K352 PolarHBondContact O-N 3.15Å; A349-K352 PolarHBondContact O-N 3.18Å; L350-K352 VanDerWaalsContact C-N 3.31Å; K352-H354 VanDerWaalsContact C-N 3.29Å; K352-H354 PolarHBondContact O-N 3.16Å; K352-E355 WeakPolarHBondContact O-CB 3.44Å; K352-E355 PolarHBondContact O-N 3.22Å; K352-L356 WeakPolarHBondContact O-CG 3.46Å; K352-L356 PolarHBondContact O-N 3Å; K352-L356 VanDerWaalsContact O-N 3.1Å
353C98.9Very high98.6Very high0 Ų018.1 Ų18.10%09%0.091CC..Hα-helixtrans-61.1-41.4170.1-68.20000111.6A54 I56 A349 L350 Q351 L356 A357A54-C353 HydrophobicContact CB-CB 3.46Å; A54-C353 VanDerWaalsContact CB-CB 3.46Å; I56-C353 HydrophobicContact CD1-CB 3.88Å; I56-C353 HydrophobicContact CG1-CB 3.77Å; A349-C353 PolarHBondContact O-N 3.04Å; A349-C353 PolarHBondContact O-SG 3.08Å; L350-C353 WeakPolarHBondContact O-CB 3.25Å; L350-C353 PolarHBondContact O-N 2.97Å; Q351-C353 VanDerWaalsContact C-N 3.35Å; C353-L356 WeakPolarHBondContact O-CB 3.31Å; C353-L356 PolarHBondContact O-N 3.42Å; C353-A357 PolarHBondContact O-N 3.21Å; C353-A357 VanDerWaalsContact O-N 3.14Å
354H98.8Very high98.6Very high78 Ų7818.7 Ų18.736%0.36110%0.097SC..Hα-helixtrans-66.1-40.6175.4-174.558.8000112.6L350 Q351 K352 L356 A357 L358 W374L350-H354 PolarHBondContact O-N 3.29Å; L350-H354 VanDerWaalsContact O-N 3.14Å; Q351-H354 CarbonylContact O-C 3.54Å; Q351-H354 WeakPolarHBondContact O-CA 3.3Å; Q351-H354 WeakPolarHBondContact O-CB 3.32Å; Q351-H354 PolarHBondContact O-N 3.23Å; Q351-H354 VanDerWaalsContact O-N 3.13Å; K352-H354 VanDerWaalsContact C-N 3.29Å; K352-H354 PolarHBondContact O-N 3.16Å; H354-L356 VanDerWaalsContact C-N 3.26Å; H354-L356 PolarHBondContact O-N 3.27Å; H354-A357 WeakPolarHBondContact O-CB 3.19Å; H354-A357 PolarHBondContact O-N 3.27Å; H354-L358 WeakPolarHBondContact O-CG 3.26Å; H354-L358 PolarHBondContact O-N 3.38Å; H354-W374 AromaticContact CD2-CZ3 3.64Å
355E98.9Very high98.6Very high0 Ų021 Ų210%011%0.113CC..Hα-helixtrans-55.3-41.9173.2-74.5177.1155.900112I291 R298 A299 L301 A347 Q351 K352 L358 L359 W374I291-E355 HydrophobicContact CD1-CB 3.87Å; I291-E355 HydrophobicContact CG1-CB 4.22Å; I291-E355 WeakPolarHBondContact CG2-OE2 3.29Å; R298-E355 WeakPolarHBondContact CA-OE1 3.3Å; R298-E355 WeakPolarHBondContact CG-OE1 3.28Å; A299-E355 PolarHBondContact N-OE1 3.04Å; L301-E355 HydrophobicContact CD1-CB 4.4Å; L301-E355 HydrophobicContact CD1-CG 4.35Å; L301-E355 HydrophobicContact CD2-CB 3.95Å; L301-E355 HydrophobicContact CD2-CG 4.11Å; A347-E355 WeakPolarHBondContact CB-OE1 3.32Å; Q351-E355 WeakPolarHBondContact O-CG 3.29Å; Q351-E355 PolarHBondContact O-N 3.44Å; K352-E355 WeakPolarHBondContact O-CB 3.44Å; K352-E355 PolarHBondContact O-N 3.22Å; E355-L358 PolarHBondContact O-N 2.94Å; E355-L359 PolarHBondContact O-N 3.11Å; E355-W374 HydrophobicContact CG-CZ2 3.66Å; E355-W374 PolarHBondContact OE1-NE1 3.36Å
356L98.9Very high98.5Very high1 Ų123 Ų231%0.00514%0.135CC..Hα-helixtrans-66.4-36.4175.6-70.3170.8000113N5 T7 I56 I291 V319 A320 K352 C353 H354 R360N5-L356 HydrophobicContact CB-CB 4.07Å; N5-L356 PolarHBondContact ND2-O 2.86Å; T7-L356 HydrophobicContact CG2-CD1 3.88Å; I56-L356 HydrophobicContact CD1-CB 4.06Å; I56-L356 HydrophobicContact CD1-CD1 3.95Å; I291-L356 HydrophobicContact CB-CD2 4.07Å; I291-L356 HydrophobicContact CB-CG 4.34Å; I291-L356 HydrophobicContact CG1-CD2 3.48Å; I291-L356 VanDerWaalsContact CG1-CD2 3.48Å; I291-L356 HydrophobicContact CG1-CG 3.86Å; V319-L356 HydrophobicContact CB-CD2 4.49Å; V319-L356 HydrophobicContact CG2-CD2 4.47Å; A320-L356 WeakPolarHBondContact O-CD2 3.37Å; K352-L356 WeakPolarHBondContact O-CG 3.46Å; K352-L356 PolarHBondContact O-N 3Å; K352-L356 VanDerWaalsContact O-N 3.1Å; C353-L356 WeakPolarHBondContact O-CB 3.31Å; C353-L356 PolarHBondContact O-N 3.42Å; H354-L356 VanDerWaalsContact C-N 3.26Å; H354-L356 PolarHBondContact O-N 3.27Å; L356-R360 VanDerWaalsContact O-CB 3.3Å; L356-R360 WeakPolarHBondContact O-CB 3.44Å; L356-R360 PolarHBondContact O-N 3.02Å
357A98.8Very high98.5Very high6 Ų627.9 Ų27.95%0.0516%0.161CC..Hα-helixtrans-64.6-48.3174.300000111.3N5 C353 H354 L359 R360 D361N5-A357 VanDerWaalsContact ND2-CA 3.25Å; N5-A357 WeakPolarHBondContact ND2-CA 3.44Å; N5-A357 PolarHBondContact ND2-N 2.94Å; C353-A357 PolarHBondContact O-N 3.21Å; C353-A357 VanDerWaalsContact O-N 3.14Å; H354-A357 WeakPolarHBondContact O-CB 3.19Å; H354-A357 PolarHBondContact O-N 3.27Å; A357-L359 PolarHBondContact O-N 3.41Å; A357-R360 PolarHBondContact O-N 3.43Å; A357-D361 WeakPolarHBondContact O-CB 3.38Å; A357-D361 PolarHBondContact O-N 3.48Å
358L98.8Very high98.5Very high25 Ų2530.7 Ų30.713%0.13118%0.178CC..Hα-helixtrans-58.2-46.6177.1-67.5179.3000111.8L301 H354 E355 D361 A362 A370 L371 W374L301-L358 HydrophobicContact CD1-CB 3.93Å; L301-L358 HydrophobicContact CD1-CD1 3.87Å; H354-L358 WeakPolarHBondContact O-CG 3.26Å; H354-L358 PolarHBondContact O-N 3.38Å; E355-L358 PolarHBondContact O-N 2.94Å; L358-D361 PolarHBondContact O-N 3.13Å; L358-A362 WeakPolarHBondContact O-CB 3.32Å; L358-A362 PolarHBondContact O-N 3Å; L358-A370 HydrophobicContact CD2-CB 4.07Å; L358-L371 HydrophobicContact CB-CD2 3.86Å; L358-L371 WeakPolarHBondContact O-CD2 3.3Å; L358-W374 HydrophobicContact CD1-CB 4.04Å; L358-W374 HydrophobicContact CD1-CD2 4.05Å; L358-W374 HydrophobicContact CD1-CE3 4.07Å; L358-W374 HydrophobicContact CD1-CG 4.06Å
359L98.8Very high98.5Very high0 Ų033.5 Ų33.50%020%0.202CC..Hα-helixtrans-62.3-46.7177.3-80.7174.2000112.4L290 I291 L301 K304 E355 A357 D361 A362 L363 L371L290-L359 HydrophobicContact CB-CD1 4.47Å; I291-L359 HydrophobicContact CD1-CD1 3.71Å; I291-L359 HydrophobicContact CG1-CD1 4.17Å; L301-L359 HydrophobicContact CB-CD2 4.12Å; L301-L359 HydrophobicContact CB-CG 4.45Å; L301-L359 HydrophobicContact CD2-CD1 3.91Å; L301-L359 HydrophobicContact CD2-CD2 4.4Å; L301-L359 HydrophobicContact CD2-CG 3.95Å; K304-L359 HydrophobicContact CB-CD1 4.1Å; K304-L359 HydrophobicContact CB-CD2 4.17Å; E355-L359 PolarHBondContact O-N 3.11Å; A357-L359 PolarHBondContact O-N 3.41Å; L359-D361 VanDerWaalsContact C-N 3.3Å; L359-D361 PolarHBondContact O-N 2.78Å; L359-A362 PolarHBondContact O-N 3.27Å; L359-L363 WeakPolarHBondContact O-CB 3.43Å; L359-L363 WeakPolarHBondContact O-CD1 3.29Å; L359-L363 WeakPolarHBondContact O-CG 3.27Å; L359-L363 PolarHBondContact O-N 3.39Å; L359-L371 HydrophobicContact CD2-CD1 4.05Å; L359-L371 HydrophobicContact CD2-CD2 4.28Å
360R98.5Very high98.4Very high31 Ų3135.6 Ų35.612%0.11722%0.219CC..Hα-helixtrans-56.1-47.2176.9176.6-152.864-149.3-14.6111I3 N5 G55 D57 V319 L356 A357 L363 N364I3-R360 HydrophobicContact CG2-CG 4.47Å; I3-R360 VanDerWaalsContact O-CG 3.25Å; I3-R360 WeakPolarHBondContact O-CG 3.47Å; N5-R360 HydrophobicContact CB-CB 4.15Å; G55-R360 PolarHBondContact O-NH1 2.9Å; D57-R360 VanDerWaalsContact CG-NH1 3.26Å; D57-R360 IonicContact OD1-CZ 3.47Å; D57-R360 IonicContact OD1-NH1 2.69Å; D57-R360 PolarHBondContact OD1-NH1 3.15Å; D57-R360 WeakPolarHBondContact OD2-CD 3.43Å; D57-R360 IonicContact OD2-CZ 2.91Å; D57-R360 IonicContact OD2-NE 2.76Å; D57-R360 IonicContact OD2-NH1 3.59Å; D57-R360 PolarHBondContact OD2-NH1 3Å; V319-R360 HydrophobicContact CG2-CB 4.04Å; L356-R360 VanDerWaalsContact O-CB 3.3Å; L356-R360 WeakPolarHBondContact O-CB 3.44Å; L356-R360 PolarHBondContact O-N 3.02Å; A357-R360 PolarHBondContact O-N 3.43Å; R360-L363 PolarHBondContact O-N 3.14Å; R360-N364 PolarHBondContact O-N 3.07Å; R360-N364 PolarHBondContact O-ND2 3.42Å
361D98.6Very high98.5Very high76 Ų7634.5 Ų34.541%0.40621%0.213SC..Hα-helixtrans-65.7-44.7-176.3-67.6-16.9000111.3A357 L358 L359 N364 S365A357-D361 WeakPolarHBondContact O-CB 3.38Å; A357-D361 PolarHBondContact O-N 3.48Å; L358-D361 PolarHBondContact O-N 3.13Å; L359-D361 VanDerWaalsContact C-N 3.3Å; L359-D361 PolarHBondContact O-N 2.78Å; D361-N364 PolarHBondContact O-N 3.28Å; D361-S365 WeakPolarHBondContact O-CB 3.31Å; D361-S365 PolarHBondContact O-N 2.87Å; D361-S365 PolarHBondContact O-OG 3.44Å
362A98.6Very high98.4Very high3 Ų335 Ų353%0.02522%0.224CC..Hα-helixtrans-62.6-42.5175.200000112.5Y305 L358 L359 N364 S365 G366 D367 L371Y305-A362 HydrophobicContact CD2-CB 4.04Å; Y305-A362 HydrophobicContact CE2-CB 4.06Å; L358-A362 WeakPolarHBondContact O-CB 3.32Å; L358-A362 PolarHBondContact O-N 3Å; L359-A362 PolarHBondContact O-N 3.27Å; A362-N364 VanDerWaalsContact C-N 3.31Å; A362-N364 PolarHBondContact O-N 3.34Å; A362-S365 PolarHBondContact O-N 2.95Å; A362-G366 VanDerWaalsContact O-CA 3.3Å; A362-G366 WeakPolarHBondContact O-CA 3.23Å; A362-G366 PolarHBondContact O-N 3.49Å; A362-D367 WeakPolarHBondContact CA-O 3.48Å; A362-D367 VanDerWaalsContact CB-O 3.24Å; A362-D367 WeakPolarHBondContact CB-O 3.44Å; A362-L371 HydrophobicContact CB-CD1 3.54Å; A362-L371 HydrophobicContact CB-CD2 3.96Å; A362-L371 HydrophobicContact CB-CG 3.72Å
363L98.2Very high98.4Very high7 Ų742.3 Ų42.34%0.03726%0.258CS..Hα-helixtrans-68.9-29179.7-69.5165.4000113I3 Y305 I308 V312 V319 L359 R360I3-L363 HydrophobicContact CD1-CB 3.64Å; Y305-L363 HydrophobicContact CD2-CD2 3.53Å; Y305-L363 HydrophobicContact CD2-CG 3.89Å; Y305-L363 HydrophobicContact CE2-CD2 3.56Å; Y305-L363 HydrophobicContact CE2-CG 4.01Å; Y305-L363 HydrophobicContact CG-CD2 4.41Å; I308-L363 HydrophobicContact CG2-CD1 3.9Å; I308-L363 HydrophobicContact CG2-CD2 3.66Å; I308-L363 HydrophobicContact CG2-CG 4.44Å; V312-L363 HydrophobicContact CG2-CB 4.49Å; V312-L363 HydrophobicContact CG2-CD2 3.63Å; V319-L363 HydrophobicContact CG1-CD1 3.42Å; V319-L363 VanDerWaalsContact CG1-CD1 3.42Å; L359-L363 WeakPolarHBondContact O-CB 3.43Å; L359-L363 WeakPolarHBondContact O-CD1 3.29Å; L359-L363 WeakPolarHBondContact O-CG 3.27Å; L359-L363 PolarHBondContact O-N 3.39Å; R360-L363 PolarHBondContact O-N 3.14Å
364N98.1Very high98.4Very high66 Ų6644.1 Ų44.135%0.35327%0.265SS..Hα-helixtrans-80.7-36.2174.7-78.9-58000112.9I3 R360 D361 A362I3-N364 PolarHBondContact N-OD1 3.29Å; I3-N364 PolarHBondContact O-ND2 3.4Å; R360-N364 PolarHBondContact O-N 3.07Å; R360-N364 PolarHBondContact O-ND2 3.42Å; D361-N364 PolarHBondContact O-N 3.28Å; A362-N364 VanDerWaalsContact C-N 3.31Å; A362-N364 PolarHBondContact O-N 3.34Å
365S97Very high98.4Very high82 Ų8240.4 Ų40.457%0.57325%0.248SC*.Hα-helixtrans-95-26.5-173.562.70000114.2D361 A362 D367D361-S365 WeakPolarHBondContact O-CB 3.31Å; D361-S365 PolarHBondContact O-N 2.87Å; D361-S365 PolarHBondContact O-OG 3.44Å; A362-S365 PolarHBondContact O-N 2.95Å; S365-D367 PolarHBondContact OG-N 3.26Å; S365-D367 VanDerWaalsContact OG-N 3.12Å
366G96.4Very high98.4Very high47 Ų4744.5 Ų44.549%0.48527%0.273SS..  trans78-1.8-166.100000114.5A362A362-G366 VanDerWaalsContact O-CA 3.3Å; A362-G366 WeakPolarHBondContact O-CA 3.23Å; A362-G366 PolarHBondContact O-N 3.49Å
367D98.1Very high98.3Very high102 Ų10245.6 Ų45.655%0.54528%0.28SS..  trans-84.9115176.9-175.3-1000111A362 S365 A369A362-D367 WeakPolarHBondContact CA-O 3.48Å; A362-D367 VanDerWaalsContact CB-O 3.24Å; A362-D367 WeakPolarHBondContact CB-O 3.44Å; S365-D367 PolarHBondContact OG-N 3.26Å; S365-D367 VanDerWaalsContact OG-N 3.12Å; D367-A369 VanDerWaalsContact OD1-CB 3.31Å; D367-A369 WeakPolarHBondContact OD1-CB 3.39Å; D367-A369 PolarHBondContact OD1-N 3.01Å
368T98.5Very high98.3Very high59 Ų5946.3 Ų46.336%0.36228%0.283SS..  trans-102.96.2-177.262.40000113.7Y305 A370 L371 A372Y305-T368 HydrophobicContact CD1-CG2 3.91Å; Y305-T368 HydrophobicContact CD2-CG2 4.3Å; Y305-T368 HydrophobicContact CE1-CG2 3.59Å; Y305-T368 HydrophobicContact CE2-CG2 3.99Å; Y305-T368 HydrophobicContact CG-CG2 4.26Å; T368-A370 PolarHBondContact O-N 2.77Å; T368-L371 HydrophobicContact CG2-CD1 4.48Å; T368-L371 WeakPolarHBondContact O-CB 3.42Å; T368-L371 PolarHBondContact O-N 2.84Å; T368-L371 VanDerWaalsContact O-N 3.16Å; T368-A372 PolarHBondContact O-N 3.05Å; T368-A372 VanDerWaalsContact O-N 3.07Å
369A98.6Very high98.2Very high60 Ų6048.3 Ų48.350%0.49629%0.291SS..Hα-helixtrans-59.2-46.1-174.900000112.4D367 L371 A372 E373D367-A369 VanDerWaalsContact OD1-CB 3.31Å; D367-A369 WeakPolarHBondContact OD1-CB 3.39Å; D367-A369 PolarHBondContact OD1-N 3.01Å; A369-L371 VanDerWaalsContact C-N 3.29Å; A369-L371 PolarHBondContact O-N 3.49Å; A369-A372 PolarHBondContact O-N 2.68Å; A369-E373 PolarHBondContact O-N 3.47Å
370A98.5Very high98.1Very high44 Ų4451 Ų5136%0.36431%0.314SS..Hα-helixtrans-65.7-31.1178.400000112.8L358 T368 W374L358-A370 HydrophobicContact CD2-CB 4.07Å; T368-A370 PolarHBondContact O-N 2.77Å; A370-W374 WeakPolarHBondContact O-CB 3.4Å; A370-W374 PolarHBondContact O-N 3.03Å
371L98.7Very high98.1Very high1 Ų150 Ų501%0.00531%0.31CS..Hα-helixtrans-67.4-44.2175.2-54.2-168.2000111.1L301 Y305 L358 L359 A362 T368 A369 W374 S375L301-L371 HydrophobicContact CB-CB 4.02Å; L301-L371 HydrophobicContact CB-CD2 3.91Å; L301-L371 HydrophobicContact CB-CG 4.38Å; L301-L371 HydrophobicContact CD1-CD2 3.96Å; Y305-L371 VanDerWaalsContact CB-CD1 3.48Å; Y305-L371 HydrophobicContact CD2-CD1 3.68Å; Y305-L371 HydrophobicContact CG-CD1 3.75Å; L358-L371 HydrophobicContact CB-CD2 3.86Å; L358-L371 WeakPolarHBondContact O-CD2 3.3Å; L359-L371 HydrophobicContact CD2-CD1 4.05Å; L359-L371 HydrophobicContact CD2-CD2 4.28Å; A362-L371 HydrophobicContact CB-CD1 3.54Å; A362-L371 HydrophobicContact CB-CD2 3.96Å; A362-L371 HydrophobicContact CB-CG 3.72Å; T368-L371 HydrophobicContact CG2-CD1 4.48Å; T368-L371 WeakPolarHBondContact O-CB 3.42Å; T368-L371 PolarHBondContact O-N 2.84Å; T368-L371 VanDerWaalsContact O-N 3.16Å; A369-L371 VanDerWaalsContact C-N 3.29Å; A369-L371 PolarHBondContact O-N 3.49Å; L371-W374 PolarHBondContact O-N 2.72Å; L371-S375 WeakPolarHBondContact O-CB 3.43Å; L371-S375 PolarHBondContact O-N 3.23Å; L371-S375 PolarHBondContact O-OG 2.94Å
372A98.6Very high97.9Very high47 Ų4752 Ų5239%0.38831%0.312SS..Hα-helixtrans-61.2-46.4177.700000110.7T368 A369 S375 V376T368-A372 PolarHBondContact O-N 3.05Å; T368-A372 VanDerWaalsContact O-N 3.07Å; A369-A372 PolarHBondContact O-N 2.68Å; A372-S375 PolarHBondContact O-N 3.31Å; A372-V376 WeakPolarHBondContact O-CG2 3.47Å; A372-V376 PolarHBondContact O-N 3.07Å
373E98.6Very high97.8Very high154 Ų15459.3 Ų59.372%0.7235%0.345SS*.Hα-helixtrans-59.9-48.7176.5-175.6179.7-17900112.1A369 S375 V376A369-E373 PolarHBondContact O-N 3.47Å; E373-S375 PolarHBondContact O-N 3.44Å; E373-V376 PolarHBondContact O-N 3.33Å
374W98.5Very high97.7Very high37 Ų3759.5 Ų59.514%0.1435%0.347CS..Hα-helixtrans-60.8-35.2179-178-90.5000112.6R298 L301 Q351 H354 E355 L358 A370 L371 P377R298-W374 VanDerWaalsContact CD-O 3.31Å; R298-W374 WeakPolarHBondContact CD-O 3.22Å; R298-W374 HydrophobicContact CG-CZ2 4.18Å; R298-W374 VanDerWaalsContact CG-NE1 3.25Å; R298-W374 PolarHBondContact NH1-O 3.15Å; L301-W374 HydrophobicContact CD1-CB 4.05Å; L301-W374 VanDerWaalsContact CD1-CD1 3.4Å; L301-W374 HydrophobicContact CD1-CG 3.74Å; L301-W374 HydrophobicContact CG-CG 4.32Å; Q351-W374 HydrophobicContact CB-CH2 4.36Å; H354-W374 AromaticContact CD2-CZ3 3.64Å; E355-W374 HydrophobicContact CG-CZ2 3.66Å; E355-W374 PolarHBondContact OE1-NE1 3.36Å; L358-W374 HydrophobicContact CD1-CB 4.04Å; L358-W374 HydrophobicContact CD1-CD2 4.05Å; L358-W374 HydrophobicContact CD1-CE3 4.07Å; L358-W374 HydrophobicContact CD1-CG 4.06Å; A370-W374 WeakPolarHBondContact O-CB 3.4Å; A370-W374 PolarHBondContact O-N 3.03Å; L371-W374 PolarHBondContact O-N 2.72Å; W374-P377 VanDerWaalsContact O-CD 3.26Å; W374-P377 WeakPolarHBondContact O-CD 3.31Å
375S98.7Very high97.5Very high0 Ų062.6 Ų62.60%037%0.368CS..Hα-helixtrans-79.4-14.5-174.1-53.10000113.9D300 L301 T302 L371 A372 E373 I378 Q379D300-S375 PolarHBondContact OD1-OG 2.7Å; L301-S375 PolarHBondContact N-OG 3.08Å; T302-S375 PolarHBondContact N-OG 2.77Å; T302-S375 PolarHBondContact OG1-OG 3.33Å; L371-S375 WeakPolarHBondContact O-CB 3.43Å; L371-S375 PolarHBondContact O-N 3.23Å; L371-S375 PolarHBondContact O-OG 2.94Å; A372-S375 PolarHBondContact O-N 3.31Å; E373-S375 PolarHBondContact O-N 3.44Å; S375-I378 VanDerWaalsContact O-CG2 3.27Å; S375-I378 WeakPolarHBondContact O-CG2 3.33Å; S375-I378 PolarHBondContact O-N 2.92Å; S375-Q379 WeakPolarHBondContact O-CG 3.43Å; S375-Q379 PolarHBondContact O-N 3.46Å; S375-Q379 VanDerWaalsContact O-N 3.11Å
376V98.4Very high97.4Very high86 Ų8663 Ų6352%0.52136%0.357SS..Hα-helixtrans-50.7-48.6-177.3172.90000113.2A372 E373 I378 Q379 A380A372-V376 WeakPolarHBondContact O-CG2 3.47Å; A372-V376 PolarHBondContact O-N 3.07Å; E373-V376 PolarHBondContact O-N 3.33Å; V376-I378 PolarHBondContact O-N 3.41Å; V376-Q379 PolarHBondContact O-N 3.38Å; V376-A380 WeakPolarHBondContact O-CB 3.4Å; V376-A380 PolarHBondContact O-N 3.43Å
377P97.9Very high97.5Very high25 Ų2560.7 Ų60.716%0.16233%0.334CS..Hα-helixtrans-65.1-40.3-175.6-23.936.7000113.8S344 W374 Q379 A380 R381S344-P377 WeakPolarHBondContact O-CB 3.23Å; S344-P377 WeakPolarHBondContact OG-CB 3.09Å; W374-P377 VanDerWaalsContact O-CD 3.26Å; W374-P377 WeakPolarHBondContact O-CD 3.31Å; P377-Q379 VanDerWaalsContact C-N 3.34Å; P377-A380 PolarHBondContact O-N 3.43Å; P377-R381 PolarHBondContact O-N 2.95Å
378I97.6Very high97.4Very high21 Ų2159.3 Ų59.311%0.10832%0.324CS..Hα-helixtrans-73.6-30-178.7-163.970.8000111.5W297 R298 D300 S375 V376 R381W297-I378 HydrophobicContact CE3-CD1 4.06Å; R298-I378 WeakPolarHBondContact O-CG1 3.41Å; D300-I378 HydrophobicContact CB-CG2 3.92Å; S375-I378 VanDerWaalsContact O-CG2 3.27Å; S375-I378 WeakPolarHBondContact O-CG2 3.33Å; S375-I378 PolarHBondContact O-N 2.92Å; V376-I378 PolarHBondContact O-N 3.41Å; I378-R381 WeakPolarHBondContact O-CB 3.39Å
379Q97.6Very high97.4Very high67 Ų6758.9 Ų58.931%0.31332%0.32SS..Hα-helixtrans-70.8-43172.1-68.7174.7-0.200111.5D300 S375 V376 P377 R381 R382D300-Q379 PolarHBondContact OD1-NE2 3.37Å; D300-Q379 VanDerWaalsContact OD2-CG 3.3Å; D300-Q379 WeakPolarHBondContact OD2-CG 3.27Å; D300-Q379 PolarHBondContact OD2-NE2 3.04Å; S375-Q379 WeakPolarHBondContact O-CG 3.43Å; S375-Q379 PolarHBondContact O-N 3.46Å; S375-Q379 VanDerWaalsContact O-N 3.11Å; V376-Q379 PolarHBondContact O-N 3.38Å; P377-Q379 VanDerWaalsContact C-N 3.34Å; Q379-R381 VanDerWaalsContact C-N 3.29Å; Q379-R381 PolarHBondContact O-N 3.39Å; Q379-R382 WeakPolarHBondContact O-CB 3.32Å; Q379-R382 PolarHBondContact O-N 2.96Å
380A97Very high97.3Very high57 Ų5760.6 Ų60.647%0.47133%0.326SS..Hα-helixtrans-62.3-35.6176.300000112.6V376 P377 R382 H383V376-A380 WeakPolarHBondContact O-CB 3.4Å; V376-A380 PolarHBondContact O-N 3.43Å; P377-A380 PolarHBondContact O-N 3.43Å; A380-R382 PolarHBondContact O-N 3.39Å; A380-R382 VanDerWaalsContact O-N 3.11Å; A380-H383 PolarHBondContact O-N 2.72Å
381R97.5Very high97.3Very high9 Ų961.8 Ų61.83%0.03434%0.335CS..Hα-helixtrans-50.4-35.5175.8-178.8-172.1165.4-74.71.2112.7W345 P377 I378 Q379 H383 S384 V387 D567W345-R381 HydrophobicContact CD2-CB 4.16Å; W345-R381 HydrophobicContact CD2-CG 3.8Å; W345-R381 HydrophobicContact CE3-CG 4.06Å; W345-R381 HydrophobicContact CG-CB 4.23Å; W345-R381 HydrophobicContact CG-CG 4.2Å; W345-R381 HydrophobicContact CH2-CG 4.41Å; W345-R381 HydrophobicContact CZ2-CB 4.39Å; W345-R381 HydrophobicContact CZ2-CG 4.18Å; W345-R381 HydrophobicContact CZ3-CG 4.35Å; P377-R381 PolarHBondContact O-N 2.95Å; I378-R381 WeakPolarHBondContact O-CB 3.39Å; Q379-R381 VanDerWaalsContact C-N 3.29Å; Q379-R381 PolarHBondContact O-N 3.39Å; R381-H383 PolarHBondContact O-N 3.43Å; R381-S384 PolarHBondContact O-N 2.9Å; R381-V387 HydrophobicContact CG-CG2 3.77Å; R381-D567 IonicContact CZ-OD1 3.85Å; R381-D567 IonicContact CZ-OD2 3.96Å; R381-D567 IonicContact NH1-OD1 2.8Å; R381-D567 PolarHBondContact NH1-OD1 2.84Å; R381-D567 IonicContact NH1-OD2 3.39Å; R381-D567 PolarHBondContact NH1-OD2 2.71Å; R381-D567 VanDerWaalsContact NH2-CG 3.34Å; R381-D567 IonicContact NH2-OD1 3.16Å; R381-D567 PolarHBondContact NH2-OD1 2.82Å; R381-D567 IonicContact NH2-OD2 2.91Å; R381-D567 PolarHBondContact NH2-OD2 2.74Å
382R95.5Very high97.3Very high118 Ų11862.2 Ų62.245%0.44534%0.338SS..THydrogen-bonded Turntrans-56.5-20-179.9-62.9176.9179.4153.33.8113.4D300 E303 Q379 A380 H388D300-R382 IonicContact OD2-NH2 3.51Å; D300-R382 PolarHBondContact OD2-NH2 2.93Å; E303-R382 IonicContact OE2-NH2 2.86Å; Q379-R382 WeakPolarHBondContact O-CB 3.32Å; Q379-R382 PolarHBondContact O-N 2.96Å; A380-R382 PolarHBondContact O-N 3.39Å; A380-R382 VanDerWaalsContact O-N 3.11Å; R382-H388 PolarHBondContact O-NE2 2.94Å
383H94.9Very high97.2Very high157 Ų15764.4 Ų64.473%0.72734%0.34SS*.THydrogen-bonded Turntrans-116.78.5-179.1-54.3-61.2000113.8A380 R381A380-H383 PolarHBondContact O-N 2.72Å; R381-H383 PolarHBondContact O-N 3.43Å
384S96.5Very high97.2Very high11 Ų1164.5 Ų64.58%0.07734%0.338CS..  trans-72.7136.8-177.6-179.10000111.6E341 R381 R386 V387 H388E341-S384 PolarHBondContact OE1-OG 3.31Å; E341-S384 VanDerWaalsContact OE1-OG 3.1Å; R381-S384 PolarHBondContact O-N 2.9Å; S384-R386 PolarHBondContact O-N 3.11Å; S384-R386 PolarHBondContact OG-N 3.31Å; S384-V387 WeakPolarHBondContact O-CB 3.31Å; S384-V387 PolarHBondContact O-N 3.27Å; S384-V387 VanDerWaalsContact O-N 3.1Å; S384-H388 PolarHBondContact O-CD2 2.83Å; S384-H388 PolarHBondContact O-N 3.03Å
385T95.1Very high97.2Very high130 Ų13067 Ų6780%0.79835%0.348SS*.THydrogen-bonded Turntrans-71.8-11.2174.354.10000113.1V387T385-V387 VanDerWaalsContact C-N 3.31Å
386R94.9Very high97.1Very high90 Ų9068.6 Ų68.634%0.3436%0.356SS..THydrogen-bonded Turntrans-80.8-17.7170.9-59.8179.270.3178.42.2112.4D339 E341 V342 W345 S384 G524D339-R386 IonicContact OD1-CZ 3.93Å; D339-R386 IonicContact OD1-NH1 3.6Å; D339-R386 PolarHBondContact OD1-NH1 3.26Å; D339-R386 IonicContact OD2-CZ 2.76Å; D339-R386 VanDerWaalsContact OD2-CZ 3.3Å; D339-R386 IonicContact OD2-NH1 3.62Å; D339-R386 PolarHBondContact OD2-NH1 3.44Å; D339-R386 IonicContact OD2-NH2 3.8Å; D339-R386 PolarHBondContact OD2-NH2 3.41Å; E341-R386 WeakPolarHBondContact OE2-CD 3.42Å; E341-R386 IonicContact OE2-NH1 3.45Å; E341-R386 PolarHBondContact OE2-NH1 2.86Å; V342-R386 VanDerWaalsContact CG2-NH1 3.25Å; W345-R386 HydrophobicContact CH2-CB 4.31Å; S384-R386 PolarHBondContact O-N 3.11Å; S384-R386 PolarHBondContact OG-N 3.31Å; R386-G524 WeakPolarHBondContact O-CA 3.46Å
387V97.2Very high97.1Very high0 Ų068.7 Ų68.70%037%0.366CS..THydrogen-bonded Turntrans-89.5-40.2-1781690000110.1W345 R381 S384 T385 D525 R565W345-V387 HydrophobicContact CH2-CG2 3.96Å; W345-V387 HydrophobicContact CZ3-CG2 4.13Å; R381-V387 HydrophobicContact CG-CG2 3.77Å; S384-V387 WeakPolarHBondContact O-CB 3.31Å; S384-V387 PolarHBondContact O-N 3.27Å; S384-V387 VanDerWaalsContact O-N 3.1Å; T385-V387 VanDerWaalsContact C-N 3.31Å; V387-D525 PolarHBondContact O-N 3.12Å; V387-R565 VanDerWaalsContact CA-NH2 3.31Å; V387-R565 PolarHBondContact O-NH1 3.18Å; V387-R565 PolarHBondContact O-NH2 2.81Å
388H97.4Very high97Very high72 Ų7271.7 Ų71.733%0.33338%0.384SS..  trans-112.1126.8-172.3-57.2-65.5000112.1R382 S384 D525R382-H388 PolarHBondContact O-NE2 2.94Å; S384-H388 PolarHBondContact O-CD2 2.83Å; S384-H388 PolarHBondContact O-N 3.03Å; H388-D525 WeakPolarHBondContact CA-OD2 3.26Å
389N97.3Very high97Very high51 Ų5172.4 Ų72.427%0.27339%0.388SS..  trans-123.4103.8175.5-175.1-21.3000110.3A391 V392 E393 D525N389-A391 PolarHBondContact O-N 2.8Å; N389-A391 WeakPolarHBondContact OD1-CB 3.45Å; N389-A391 PolarHBondContact OD1-N 3.06Å; N389-V392 HydrophobicContact CB-CB 4.16Å; N389-V392 HydrophobicContact CB-CG2 3.96Å; N389-V392 WeakPolarHBondContact O-CB 3.38Å; N389-V392 PolarHBondContact O-N 2.97Å; N389-E393 PolarHBondContact O-N 2.88Å; N389-E393 VanDerWaalsContact O-N 3.1Å; N389-D525 HydrophobicContact CB-CB 3.8Å; N389-D525 PolarHBondContact N-OD2 3.18Å
390P97.1Very high97Very high95 Ų9572.8 Ų72.862%0.61740%0.395SS*.Hα-helixtrans-57.8-27.2-177.5-2734.8000114.7K394P390-K394 WeakPolarHBondContact O-CB 3.17Å; P390-K394 PolarHBondContact O-N 3.24Å
391A97.9Very high96.9Very high69 Ų6973.6 Ų73.657%0.5740%0.401SS*.Hα-helixtrans-71-37.4176.900000111.7N389 R395N389-A391 PolarHBondContact O-N 2.8Å; N389-A391 WeakPolarHBondContact OD1-CB 3.45Å; N389-A391 PolarHBondContact OD1-N 3.06Å; A391-R395 WeakPolarHBondContact O-CB 3.46Å; A391-R395 PolarHBondContact O-N 3.07Å
392V98.2Very high96.8Very high10 Ų1078.6 Ų78.66%0.06143%0.425CS..Hα-helixtrans-69.7-45.8176.1176.10000110.3N389 K394 R395 L396 D525 Q576N389-V392 HydrophobicContact CB-CB 4.16Å; N389-V392 HydrophobicContact CB-CG2 3.96Å; N389-V392 WeakPolarHBondContact O-CB 3.38Å; N389-V392 PolarHBondContact O-N 2.97Å; V392-K394 VanDerWaalsContact C-N 3.32Å; V392-K394 PolarHBondContact O-N 2.78Å; V392-R395 PolarHBondContact O-N 3.44Å; V392-R395 VanDerWaalsContact O-N 3.12Å; V392-L396 HydrophobicContact CG1-CD1 4.36Å; V392-L396 HydrophobicContact CG1-CG 4.49Å; V392-L396 PolarHBondContact O-N 2.9Å; V392-D525 HydrophobicContact CB-CB 4.03Å; V392-D525 HydrophobicContact CG1-CB 4Å; V392-D525 HydrophobicContact CG2-CB 4.32Å; V392-Q576 HydrophobicContact CG1-CB 4.34Å; V392-Q576 HydrophobicContact CG1-CG 3.66Å
393E97.3Very high96.9Very high94 Ų9475 Ų7544%0.43941%0.414SS..Hα-helixtrans-55.3-47.3175.2-67.4175.7-178.200111.6N389 R395 L396 A397N389-E393 PolarHBondContact O-N 2.88Å; N389-E393 VanDerWaalsContact O-N 3.1Å; E393-R395 VanDerWaalsContact C-N 3.34Å; E393-R395 PolarHBondContact O-N 3.13Å; E393-L396 PolarHBondContact O-N 2.78Å; E393-A397 PolarHBondContact O-N 3.1Å; E393-A397 VanDerWaalsContact O-N 3.07Å
394K98.3Very high97Very high156 Ų15668.2 Ų68.268%0.67839%0.385SS*.Hα-helixtrans-61.8-42177-174.7-179.7179.4-176.50111.7P390 V392 A397 T398P390-K394 WeakPolarHBondContact O-CB 3.17Å; P390-K394 PolarHBondContact O-N 3.24Å; V392-K394 VanDerWaalsContact C-N 3.32Å; V392-K394 PolarHBondContact O-N 2.78Å; K394-A397 PolarHBondContact O-N 3.23Å; K394-T398 WeakPolarHBondContact O-CG2 3.5Å; K394-T398 PolarHBondContact O-N 3.06Å
395R98Very high97.1Very high89 Ų8971.9 Ų71.934%0.33640%0.4SS..Hα-helixtrans-66.9-41.8-179.8-166.8-175.8174.1172.60.1111.8A391 V392 E393 A397 T398 L579 D583A391-R395 WeakPolarHBondContact O-CB 3.46Å; A391-R395 PolarHBondContact O-N 3.07Å; V392-R395 PolarHBondContact O-N 3.44Å; V392-R395 VanDerWaalsContact O-N 3.12Å; E393-R395 VanDerWaalsContact C-N 3.34Å; E393-R395 PolarHBondContact O-N 3.13Å; R395-A397 VanDerWaalsContact C-N 3.33Å; R395-A397 PolarHBondContact O-N 3.21Å; R395-T398 PolarHBondContact O-N 2.93Å; R395-T398 PolarHBondContact O-OG1 3.24Å; R395-L579 HydrophobicContact CB-CD1 4.37Å; R395-L579 HydrophobicContact CG-CD1 3.86Å; R395-L579 PolarHBondContact NH2-O 3.37Å; R395-D583 IonicContact CZ-OD1 3.69Å; R395-D583 IonicContact CZ-OD2 3.37Å; R395-D583 IonicContact NH1-OD1 3.82Å; R395-D583 IonicContact NH1-OD2 2.73Å; R395-D583 PolarHBondContact NH1-OD2 2.93Å; R395-D583 VanDerWaalsContact NH2-CG 3.26Å; R395-D583 IonicContact NH2-OD1 2.7Å; R395-D583 PolarHBondContact NH2-OD1 3.28Å; R395-D583 IonicContact NH2-OD2 3.12Å; R395-D583 PolarHBondContact NH2-OD2 2.97Å; R395-D583 VanDerWaalsContact NH2-OD2 3.12Å
396L97.5Very high97.2Very high34 Ų3466.5 Ų66.518%0.17837%0.366CS..Hα-helixtrans-57.7-45.5173.1-79.6171.9000111.8V392 E393 T398 I399 T572 K575 Q576 L579V392-L396 HydrophobicContact CG1-CD1 4.36Å; V392-L396 HydrophobicContact CG1-CG 4.49Å; V392-L396 PolarHBondContact O-N 2.9Å; E393-L396 PolarHBondContact O-N 2.78Å; L396-T398 PolarHBondContact O-N 3.45Å; L396-T398 VanDerWaalsContact O-N 3.12Å; L396-I399 HydrophobicContact CD2-CD1 4.03Å; L396-I399 WeakPolarHBondContact O-CG1 3.24Å; L396-I399 PolarHBondContact O-N 2.77Å; L396-T572 HydrophobicContact CD1-CG2 4.09Å; L396-K575 HydrophobicContact CD2-CB 3.61Å; L396-Q576 HydrophobicContact CD1-CG 3.54Å; L396-Q576 HydrophobicContact CD2-CG 3.88Å; L396-Q576 HydrophobicContact CG-CG 3.94Å; L396-L579 HydrophobicContact CD2-CD1 3.97Å; L396-L579 HydrophobicContact CG-CD1 4.37Å
397A97.6Very high97.3Very high87 Ų8765.8 Ų65.872%0.71938%0.379SS*.THydrogen-bonded Turntrans-65.4-14-179.400000113.9E393 K394 R395E393-A397 PolarHBondContact O-N 3.1Å; E393-A397 VanDerWaalsContact O-N 3.07Å; K394-A397 PolarHBondContact O-N 3.23Å; R395-A397 VanDerWaalsContact C-N 3.33Å; R395-A397 PolarHBondContact O-N 3.21Å
398T97.2Very high97.3Very high89 Ų8969.3 Ų69.355%0.54640%0.398SS..THydrogen-bonded Turntrans-95.4-1.817856.40000114.5K394 R395 L396 T400K394-T398 WeakPolarHBondContact O-CG2 3.5Å; K394-T398 PolarHBondContact O-N 3.06Å; R395-T398 PolarHBondContact O-N 2.93Å; R395-T398 PolarHBondContact O-OG1 3.24Å; L396-T398 PolarHBondContact O-N 3.45Å; L396-T398 VanDerWaalsContact O-N 3.12Å; T398-T400 PolarHBondContact O-N 3.39Å
399I97.5Very high97.3Very high36 Ų3670.2 Ų70.219%0.18541%0.408CS..  trans-60.6130.1176.6-65.3168.7000109.5L396 K575 L579 I627L396-I399 HydrophobicContact CD2-CD1 4.03Å; L396-I399 WeakPolarHBondContact O-CG1 3.24Å; L396-I399 PolarHBondContact O-N 2.77Å; I399-K575 HydrophobicContact CD1-CB 4.22Å; I399-K575 HydrophobicContact CD1-CD 4.38Å; I399-L579 HydrophobicContact CD1-CD1 3.96Å; I399-L579 HydrophobicContact CD1-CD2 4.41Å; I399-L579 HydrophobicContact CD1-CG 4.23Å; I399-L579 HydrophobicContact CG1-CD1 4.25Å; I399-L579 HydrophobicContact CG1-CD2 4.19Å; I399-I627 HydrophobicContact CD1-CD1 4.23Å; I399-I627 HydrophobicContact CG2-CD1 4.12Å
400T97.2Very high97.2Very high75 Ų7568.6 Ų68.646%0.4640%0.398SS..  trans-116164.4173.768.50000110.6T398 Q402 D403T398-T400 PolarHBondContact O-N 3.39Å; T400-Q402 PolarHBondContact O-N 2.97Å; T400-Q402 VanDerWaalsContact O-N 3.15Å; T400-D403 PolarHBondContact N-OD2 3.01Å; T400-D403 WeakPolarHBondContact O-CB 3.26Å; T400-D403 PolarHBondContact O-N 3.46Å; T400-D403 PolarHBondContact OG1-OD2 3.12Å
401A94.5Very high97.2Very high73 Ų7369.6 Ų69.660%0.60340%0.395SS*.G310 helixtrans-55.7-33.8175.600000112.6D403 S404A401-D403 VanDerWaalsContact C-N 3.26Å; A401-D403 PolarHBondContact O-N 3.33Å; A401-S404 PolarHBondContact O-N 2.84Å; A401-S404 PolarHBondContact O-OG 3.1Å
402Q96Very high97.2Very high114 Ų11469.4 Ų69.453%0.53339%0.387SS..G310 helixtrans-64.9-29179.7-170.161.449.200112.8T400 S404 Q405T400-Q402 PolarHBondContact O-N 2.97Å; T400-Q402 VanDerWaalsContact O-N 3.15Å; Q402-S404 PolarHBondContact O-N 3.34Å; Q402-S404 VanDerWaalsContact O-N 3.14Å; Q402-Q405 PolarHBondContact O-N 2.95Å
403D97.3Very high97.2Very high43 Ų4369 Ų6923%0.2338%0.384CS..G310 helixtrans-65.3-18.7179.9-67.3-62.4000112.7T400 A401 R582 A630T400-D403 PolarHBondContact N-OD2 3.01Å; T400-D403 WeakPolarHBondContact O-CB 3.26Å; T400-D403 PolarHBondContact O-N 3.46Å; T400-D403 PolarHBondContact OG1-OD2 3.12Å; A401-D403 VanDerWaalsContact C-N 3.26Å; A401-D403 PolarHBondContact O-N 3.33Å; D403-R582 PolarHBondContact O-NH1 2.79Å; D403-R582 IonicContact OD1-NH2 2.95Å; D403-A630 VanDerWaalsContact O-CB 3.28Å; D403-A630 WeakPolarHBondContact O-CB 3.46Å
404S97.4Very high97.2Very high15 Ų1564.7 Ų64.711%0.10536%0.364CS..G310 helixtrans-99.39.717673.40000113.5A401 Q402 R626A401-S404 PolarHBondContact O-N 2.84Å; A401-S404 PolarHBondContact O-OG 3.1Å; Q402-S404 PolarHBondContact O-N 3.34Å; Q402-S404 VanDerWaalsContact O-N 3.14Å; S404-R626 WeakPolarHBondContact O-CB 3.31Å; S404-R626 VanDerWaalsContact O-CZ 3.25Å; S404-R626 PolarHBondContact O-NE 2.96Å; S404-R626 PolarHBondContact O-NH2 2.8Å
405Q97.3Very high97.2Very high87 Ų8764 Ų6441%0.40736%0.363SS..  trans-120.4128.6-176.6-64.8-175.8-5.700111.8Q402Q402-Q405 PolarHBondContact O-N 2.95Å
406R97.6Very high97.2Very high18 Ų1861.4 Ų61.47%0.06836%0.361CS..  trans-60.3156165.1-66.1-68.8-69.5-79.511.6109.3N408 R413 A632 K633 T636 D660R406-N408 VanDerWaalsContact C-N 3.31Å; R406-N408 PolarHBondContact O-N 3.21Å; R406-R413 VanDerWaalsContact CZ-CD 3.44Å; R406-A632 PolarHBondContact NE-O 3.18Å; R406-A632 VanDerWaalsContact NE-O 3.07Å; R406-K633 PolarHBondContact NH2-O 3.43Å; R406-T636 PolarHBondContact NH2-O 2.95Å; R406-D660 IonicContact CZ-OD2 2.65Å; R406-D660 IonicContact NH1-OD1 3.45Å; R406-D660 PolarHBondContact NH1-OD1 2.87Å; R406-D660 IonicContact NH1-OD2 2.8Å; R406-D660 PolarHBondContact NH1-OD2 2.78Å; R406-D660 IonicContact NH2-OD2 3.3Å
407A96.4Very high97.2Very high75 Ų7559.8 Ų59.862%0.6235%0.353SS*.SBendtrans-62.9-37.3-178.700000112.8
408N98Very high97.2Very high73 Ų7361.6 Ų61.639%0.3934%0.341SS..SBendtrans-133.9163.8179.1-69.9-72.5000112.2R406 V412 R413 D634R406-N408 VanDerWaalsContact C-N 3.31Å; R406-N408 PolarHBondContact O-N 3.21Å; N408-V412 HydrophobicContact CB-CB 4.01Å; N408-V412 HydrophobicContact CB-CG1 3.99Å; N408-R413 HydrophobicContact CB-CG 4.48Å; N408-R413 WeakPolarHBondContact O-CD 3.48Å; N408-R413 PolarHBondContact O-NH1 3.22Å; N408-D634 PolarHBondContact ND2-OD2 2.76Å
409V96.9Very high97.2Very high92 Ų9260.7 Ų60.756%0.55834%0.342SS*.  trans-67.6156.8173.9-62.70000111.9E411 V412 R413V409-E411 VanDerWaalsContact C-N 3.27Å; V409-E411 WeakPolarHBondContact CG2-OE2 3.42Å; V409-E411 PolarHBondContact O-N 3.09Å; V409-E411 VanDerWaalsContact O-N 3.16Å; V409-V412 HydrophobicContact CG2-CG2 4.12Å; V409-V412 PolarHBondContact O-N 3.17Å; V409-V412 VanDerWaalsContact O-N 3.15Å; V409-R413 WeakPolarHBondContact O-CG 3.36Å; V409-R413 PolarHBondContact O-N 2.98Å
410Y96.8Very high97.2Very high16 Ų1663.4 Ų63.46%0.06335%0.35CS..Hα-helixtrans-52.6-39.4-173.1167.7-104.2000113.7V412 R413 A414 D660 N684 E685Y410-V412 VanDerWaalsContact C-N 3.3Å; Y410-V412 PolarHBondContact O-N 2.92Å; Y410-R413 CarbonylContact O-C 3.58Å; Y410-R413 PolarHBondContact O-N 3.04Å; Y410-R413 VanDerWaalsContact O-N 3.07Å; Y410-A414 HydrophobicContact CD2-CB 4.45Å; Y410-A414 HydrophobicContact CE1-CB 4.13Å; Y410-A414 HydrophobicContact CE2-CB 3.94Å; Y410-A414 VanDerWaalsContact O-CB 3.31Å; Y410-A414 WeakPolarHBondContact O-CB 3.41Å; Y410-A414 PolarHBondContact O-N 2.94Å; Y410-D660 HydrophobicContact CD2-CB 4.43Å; Y410-D660 HydrophobicContact CE2-CB 4.26Å; Y410-N684 WeakPolarHBondContact CB-OD1 3.44Å; Y410-N684 HydrophobicContact CD1-CB 4.29Å; Y410-N684 WeakPolarHBondContact CD1-OD1 3.13Å; Y410-N684 HydrophobicContact CD2-CB 4.11Å; Y410-N684 HydrophobicContact CE1-CB 4.18Å; Y410-N684 HydrophobicContact CE2-CB 3.98Å; Y410-N684 HydrophobicContact CG-CB 4.27Å; Y410-N684 VanDerWaalsContact CG-CG 3.45Å; Y410-E685 WeakPolarHBondContact OH-CG 3.41Å; Y410-E685 PolarHBondContact OH-OE1 3.24Å
411E96.2Very high97.3Very high116 Ų11661.4 Ų61.454%0.54234%0.335SS..Hα-helixtrans-59.6-41-177.4-6284.3171.300112.2V409 E415V409-E411 VanDerWaalsContact C-N 3.27Å; V409-E411 WeakPolarHBondContact CG2-OE2 3.42Å; V409-E411 PolarHBondContact O-N 3.09Å; V409-E411 VanDerWaalsContact O-N 3.16Å; E411-E415 PolarHBondContact O-N 3.01Å
412V98Very high97.4Very high66 Ų6666.2 Ų66.240%0.434%0.343SS..Hα-helixtrans-69.4-40.1176.81770000110.7N408 V409 Y410 A416N408-V412 HydrophobicContact CB-CB 4.01Å; N408-V412 HydrophobicContact CB-CG1 3.99Å; V409-V412 HydrophobicContact CG2-CG2 4.12Å; V409-V412 PolarHBondContact O-N 3.17Å; V409-V412 VanDerWaalsContact O-N 3.15Å; Y410-V412 VanDerWaalsContact C-N 3.3Å; Y410-V412 PolarHBondContact O-N 2.92Å; V412-A416 PolarHBondContact O-N 3.01Å
413R98.3Very high97.5Very high0 Ų063 Ų630%033%0.329CS..Hα-helixtrans-67.4-43.6179-53.7-168.7-50.7-106.73.9111.2R406 N408 V409 Y410 E415 A416 Q417 D634 D658 D660R406-R413 VanDerWaalsContact CZ-CD 3.44Å; N408-R413 HydrophobicContact CB-CG 4.48Å; N408-R413 WeakPolarHBondContact O-CD 3.48Å; N408-R413 PolarHBondContact O-NH1 3.22Å; V409-R413 WeakPolarHBondContact O-CG 3.36Å; V409-R413 PolarHBondContact O-N 2.98Å; Y410-R413 CarbonylContact O-C 3.58Å; Y410-R413 PolarHBondContact O-N 3.04Å; Y410-R413 VanDerWaalsContact O-N 3.07Å; R413-E415 VanDerWaalsContact C-N 3.27Å; R413-E415 PolarHBondContact O-N 3.5Å; R413-A416 WeakPolarHBondContact O-CB 3.36Å; R413-A416 PolarHBondContact O-N 3.36Å; R413-A416 VanDerWaalsContact O-N 3.08Å; R413-Q417 WeakPolarHBondContact O-CB 3.37Å; R413-Q417 VanDerWaalsContact O-CD 3.31Å; R413-Q417 WeakPolarHBondContact O-CG 3.35Å; R413-Q417 PolarHBondContact O-N 3.04Å; R413-D634 HydrophobicContact CB-CB 4.35Å; R413-D634 HydrophobicContact CG-CB 3.96Å; R413-D658 IonicContact CZ-OD1 3.74Å; R413-D658 IonicContact CZ-OD2 3.53Å; R413-D658 IonicContact NH1-OD1 3.47Å; R413-D658 PolarHBondContact NH1-OD1 3.34Å; R413-D658 IonicContact NH1-OD2 3.04Å; R413-D658 PolarHBondContact NH1-OD2 3.23Å; R413-D658 PolarHBondContact NH2-O 3.45Å; R413-D658 IonicContact NH2-OD1 3.76Å; R413-D658 PolarHBondContact NH2-OD1 3.03Å; R413-D658 IonicContact NH2-OD2 3.34Å; R413-D660 IonicContact CZ-OD1 2.78Å; R413-D660 IonicContact NE-OD1 3.19Å; R413-D660 PolarHBondContact NE-OD1 3.04Å; R413-D660 IonicContact NH2-OD1 2.8Å; R413-D660 PolarHBondContact NH2-OD1 3.22Å
414A97.1Very high97.5Very high4 Ų463.3 Ų63.33%0.03333%0.333CS..Hα-helixtrans-57.6-39.9178.900000111.7Y410 Q417 R418Y410-A414 HydrophobicContact CD2-CB 4.45Å; Y410-A414 HydrophobicContact CE1-CB 4.13Å; Y410-A414 HydrophobicContact CE2-CB 3.94Å; Y410-A414 VanDerWaalsContact O-CB 3.31Å; Y410-A414 WeakPolarHBondContact O-CB 3.41Å; Y410-A414 PolarHBondContact O-N 2.94Å; A414-Q417 PolarHBondContact O-N 3.19Å; A414-R418 WeakPolarHBondContact O-CB 3.44Å; A414-R418 WeakPolarHBondContact O-CG 3.33Å; A414-R418 PolarHBondContact O-N 3.5Å
415E97.5Very high97.4Very high141 Ų14165.5 Ų65.566%0.65935%0.352SS*.Hα-helixtrans-61.5-48.6173.4-71.7-178.2177.800112.1E411 R413 Q417 R418 A419E411-E415 PolarHBondContact O-N 3.01Å; R413-E415 VanDerWaalsContact C-N 3.27Å; R413-E415 PolarHBondContact O-N 3.5Å; E415-Q417 VanDerWaalsContact C-N 3.33Å; E415-Q417 PolarHBondContact O-N 2.62Å; E415-R418 PolarHBondContact O-N 3.29Å; E415-A419 WeakPolarHBondContact O-CB 3.13Å; E415-A419 PolarHBondContact O-N 3.48Å
416A98.4Very high97.4Very high35 Ų3562.4 Ų62.429%0.28934%0.337SS..Hα-helixtrans-61.4-41.917800000112V412 R413 A419 R420 D634 D635V412-A416 PolarHBondContact O-N 3.01Å; R413-A416 WeakPolarHBondContact O-CB 3.36Å; R413-A416 PolarHBondContact O-N 3.36Å; R413-A416 VanDerWaalsContact O-N 3.08Å; A416-A419 PolarHBondContact O-N 2.91Å; A416-R420 WeakPolarHBondContact O-CB 3.34Å; A416-R420 PolarHBondContact O-N 2.84Å; A416-D634 HydrophobicContact CB-CB 4.5Å; A416-D635 HydrophobicContact CB-CB 4.13Å
417Q98.5Very high97.4Very high0 Ų062 Ų620%034%0.337CS..Hα-helixtrans-67.5-44.2179.4-65.6160.5900111.8R413 A414 E415 A419 R420 F421 D634 T636 Q637 D660R413-Q417 WeakPolarHBondContact O-CB 3.37Å; R413-Q417 VanDerWaalsContact O-CD 3.31Å; R413-Q417 WeakPolarHBondContact O-CG 3.35Å; R413-Q417 PolarHBondContact O-N 3.04Å; A414-Q417 PolarHBondContact O-N 3.19Å; E415-Q417 VanDerWaalsContact C-N 3.33Å; E415-Q417 PolarHBondContact O-N 2.62Å; Q417-A419 VanDerWaalsContact C-N 3.31Å; Q417-A419 PolarHBondContact O-N 3.38Å; Q417-R420 PolarHBondContact O-N 2.84Å; Q417-F421 HydrophobicContact CB-CD2 4.3Å; Q417-F421 HydrophobicContact CB-CE2 4.38Å; Q417-F421 VanDerWaalsContact O-CD2 3.23Å; Q417-F421 WeakPolarHBondContact O-CD2 3.3Å; Q417-F421 PolarHBondContact O-N 2.83Å; Q417-D634 WeakPolarHBondContact CG-O 3.34Å; Q417-D634 PolarHBondContact NE2-O 2.82Å; Q417-T636 PolarHBondContact NE2-O 3.48Å; Q417-Q637 HydrophobicContact CB-CG 3.87Å; Q417-Q637 HydrophobicContact CG-CG 3.57Å; Q417-Q637 VanDerWaalsContact OE1-CG 3.27Å; Q417-D660 PolarHBondContact NE2-OD1 3.33Å; Q417-D660 PolarHBondContact NE2-OD2 2.96Å
418R96.9Very high97.5Very high126 Ų12658.5 Ų58.548%0.47531%0.307SS..Hα-helixtrans-62-40175.5-74.5170.9-175.3169.33111.4A414 E415 R420 K422 E685A414-R418 WeakPolarHBondContact O-CB 3.44Å; A414-R418 WeakPolarHBondContact O-CG 3.33Å; A414-R418 PolarHBondContact O-N 3.5Å; E415-R418 PolarHBondContact O-N 3.29Å; R418-R420 VanDerWaalsContact C-N 3.34Å; R418-K422 WeakPolarHBondContact O-CA 3.4Å; R418-K422 PolarHBondContact O-N 3.27Å; R418-E685 IonicContact NE-OE1 2.79Å; R418-E685 IonicContact NH2-OE1 3.54Å; R418-E685 PolarHBondContact NH2-OE1 2.93Å
419A97.8Very high97.5Very high69 Ų6955 Ų5557%0.5729%0.289SS*.Hα-helixtrans-63.8-39175.400000112.5E415 A416 Q417 K422E415-A419 WeakPolarHBondContact O-CB 3.13Å; E415-A419 PolarHBondContact O-N 3.48Å; A416-A419 PolarHBondContact O-N 2.91Å; Q417-A419 VanDerWaalsContact C-N 3.31Å; Q417-A419 PolarHBondContact O-N 3.38Å; A419-K422 WeakPolarHBondContact O-CE 3.34Å
420R98Very high97.6Very high94 Ų9450.7 Ų50.736%0.35526%0.262SS..Hα-helixtrans-71.5-54.4178.8-176.3178.7178.9175.32.9112.7A416 Q417 R418 G594 D635A416-R420 WeakPolarHBondContact O-CB 3.34Å; A416-R420 PolarHBondContact O-N 2.84Å; Q417-R420 PolarHBondContact O-N 2.84Å; R418-R420 VanDerWaalsContact C-N 3.34Å; R420-G594 VanDerWaalsContact NH2-CA 3.27Å; R420-D635 WeakPolarHBondContact CD-O 3.4Å; R420-D635 PolarHBondContact NH1-O 3.14Å; R420-D635 IonicContact NH1-OD1 3.97Å; R420-D635 IonicContact NH1-OD2 2.63Å
421F98Very high97.6Very high32 Ų3250.1 Ų50.114%0.1426%0.261CS..Hα-helixtrans-90.9-25.3-168.4-60.1-61.7000114.3Q417 L423 P547 G594 I595 Q637Q417-F421 HydrophobicContact CB-CD2 4.3Å; Q417-F421 HydrophobicContact CB-CE2 4.38Å; Q417-F421 VanDerWaalsContact O-CD2 3.23Å; Q417-F421 WeakPolarHBondContact O-CD2 3.3Å; Q417-F421 PolarHBondContact O-N 2.83Å; F421-L423 HydrophobicContact CB-CD1 4.35Å; F421-L423 HydrophobicContact CB-CD2 4.18Å; F421-L423 HydrophobicContact CB-CG 3.81Å; F421-L423 PolarHBondContact O-N 2.82Å; F421-L423 VanDerWaalsContact O-N 3.14Å; F421-P547 HydrophobicContact CD1-CB 3.93Å; F421-P547 HydrophobicContact CD1-CG 4.24Å; F421-P547 HydrophobicContact CE1-CB 4.12Å; F421-G594 VanDerWaalsContact CZ-O 3.25Å; F421-G594 WeakPolarHBondContact CZ-O 3.26Å; F421-I595 HydrophobicContact CD1-CD1 4.27Å; F421-I595 HydrophobicContact CD1-CG1 4.36Å; F421-I595 HydrophobicContact CD2-CD1 4.45Å; F421-I595 HydrophobicContact CE1-CD1 4.19Å; F421-I595 HydrophobicContact CE1-CG1 3.78Å; F421-I595 HydrophobicContact CE2-CD1 4.39Å; F421-I595 HydrophobicContact CE2-CG1 3.97Å; F421-I595 HydrophobicContact CG-CD1 4.43Å; F421-I595 HydrophobicContact CZ-CD1 4.28Å; F421-I595 HydrophobicContact CZ-CG1 3.59Å; F421-Q637 HydrophobicContact CD2-CG 4.39Å; F421-Q637 HydrophobicContact CE2-CB 4.32Å; F421-Q637 HydrophobicContact CE2-CG 3.97Å
422K97.3Very high97.7Very high175 Ų17544.6 Ų44.676%0.76124%0.235SC*.  trans4941179-57.2178.2-178.3174.90113R418 A419R418-K422 WeakPolarHBondContact O-CA 3.4Å; R418-K422 PolarHBondContact O-N 3.27Å; A419-K422 WeakPolarHBondContact O-CE 3.34Å
423L97.9Very high97.6Very high46 Ų4642.3 Ų42.324%0.24122%0.222CC..PPolyproline II helixtrans-65145.9-179.9-61.3178.3000110.7F421 P427 D478 V479 P547 W721F421-L423 HydrophobicContact CB-CD1 4.35Å; F421-L423 HydrophobicContact CB-CD2 4.18Å; F421-L423 HydrophobicContact CB-CG 3.81Å; F421-L423 PolarHBondContact O-N 2.82Å; F421-L423 VanDerWaalsContact O-N 3.14Å; L423-P427 HydrophobicContact CB-CB 4.26Å; L423-P427 HydrophobicContact CD1-CB 4.23Å; L423-D478 HydrophobicContact CD2-CB 4.46Å; L423-V479 HydrophobicContact CD1-CG2 3.92Å; L423-V479 HydrophobicContact CD2-CG2 3.78Å; L423-P547 HydrophobicContact CD2-CG 4.38Å; L423-W721 HydrophobicContact CD1-CH2 3.42Å; L423-W721 VanDerWaalsContact CD1-CH2 3.42Å; L423-W721 HydrophobicContact CD1-CZ2 3.78Å; L423-W721 HydrophobicContact CD1-CZ3 4.33Å
424P97.1Very high97.6Very high50 Ų5042.8 Ų42.833%0.32522%0.224SC..PPolyproline II helixtrans-70.3166.3172.732.2-35.4000110.8P427 D478P424-P427 WeakPolarHBondContact O-CD 3.36Å; P424-D478 VanDerWaalsContact CG-OD1 3.28Å; P424-D478 WeakPolarHBondContact CG-OD1 3.13Å
425A95.6Very high97.5Very high61 Ų6142.8 Ų42.850%0.50422%0.223SC..SBendtrans-56148.8164.100000110.6R751A425-R751 WeakPolarHBondContact O-CD 3.35Å; A425-R751 VanDerWaalsContact O-CG 3.3Å; A425-R751 WeakPolarHBondContact O-CG 3.41Å; A425-R751 PolarHBondContact O-NE 3.06Å
426W96.6Very high97.3Very high22 Ų2237.3 Ų37.38%0.08320%0.198CC..SBendtrans54.350.6-175.3-55.696.2000113.3T428 L708 A712 A717 L720 V722 A747 L750 R751W426-T428 PolarHBondContact O-N 2.94Å; W426-L708 HydrophobicContact CE3-CD2 4.44Å; W426-L708 HydrophobicContact CH2-CB 4.43Å; W426-L708 HydrophobicContact CZ3-CB 4.03Å; W426-L708 HydrophobicContact CZ3-CD2 4.07Å; W426-A712 HydrophobicContact CH2-CB 3.76Å; W426-A712 HydrophobicContact CZ2-CB 4.24Å; W426-A717 HydrophobicContact CZ2-CB 3.89Å; W426-L720 HydrophobicContact CE3-CB 3.95Å; W426-L720 HydrophobicContact CH2-CB 4.34Å; W426-L720 HydrophobicContact CH2-CD1 3.67Å; W426-L720 HydrophobicContact CZ3-CB 3.69Å; W426-L720 HydrophobicContact CZ3-CD1 3.68Å; W426-L720 HydrophobicContact CZ3-CG 4.31Å; W426-V722 HydrophobicContact CB-CG2 4.11Å; W426-V722 HydrophobicContact CE3-CG2 4.02Å; W426-A747 HydrophobicContact CB-CB 4.42Å; W426-L750 HydrophobicContact CD2-CB 4.25Å; W426-L750 HydrophobicContact CD2-CD1 4.13Å; W426-L750 HydrophobicContact CE3-CD1 4.11Å; W426-L750 HydrophobicContact CG-CB 4.27Å; W426-L750 HydrophobicContact CH2-CD1 4.04Å; W426-L750 HydrophobicContact CZ2-CB 4.45Å; W426-L750 HydrophobicContact CZ2-CD1 4.11Å; W426-L750 HydrophobicContact CZ3-CD1 4.07Å; W426-R751 HydrophobicContact CB-CG 4.4Å; W426-R751 PolarHBondContact O-NH2 2.73Å
427P98.3Very high97Very high10 Ų1037.1 Ų37.17%0.06519%0.193CC..  trans-57.7134.7-177.526.9-35.4000111L423 P424 L720 W721 V722L423-P427 HydrophobicContact CB-CB 4.26Å; L423-P427 HydrophobicContact CD1-CB 4.23Å; P424-P427 WeakPolarHBondContact O-CD 3.36Å; P427-L720 WeakPolarHBondContact CD-O 3.49Å; P427-W721 HydrophobicContact CB-CD2 4.19Å; P427-W721 HydrophobicContact CB-CE3 3.97Å; P427-W721 HydrophobicContact CB-CH2 4.3Å; P427-W721 HydrophobicContact CB-CZ2 4.48Å; P427-W721 HydrophobicContact CB-CZ3 4.03Å; P427-W721 HydrophobicContact CG-CD2 3.45Å; P427-W721 VanDerWaalsContact CG-CD2 3.45Å; P427-W721 HydrophobicContact CG-CE3 3.75Å; P427-W721 HydrophobicContact CG-CG 3.83Å; P427-W721 HydrophobicContact CG-CH2 4.24Å; P427-W721 HydrophobicContact CG-CZ2 3.95Å; P427-W721 HydrophobicContact CG-CZ3 4.14Å; P427-V722 PolarHBondContact O-N 3.44Å
428T98.7Very high96.7Very high0 Ų041.8 Ų41.80%022%0.222CC..BIsolated β-bridgetrans-99.9135.3-178.760.50000110.5W426 L477 D478 V479 V722 V744 A747W426-T428 PolarHBondContact O-N 2.94Å; T428-L477 WeakPolarHBondContact OG1-CA 3.12Å; T428-D478 WeakPolarHBondContact CB-OD2 3.44Å; T428-D478 PolarHBondContact N-OD2 2.73Å; T428-D478 PolarHBondContact O-N 3.03Å; T428-D478 VanDerWaalsContact O-N 3.08Å; T428-D478 PolarHBondContact OG1-N 3.14Å; T428-D478 PolarHBondContact OG1-OD2 3.17Å; T428-V479 PolarHBondContact O-N 3.31Å; T428-V479 VanDerWaalsContact O-N 3.09Å; T428-V722 WeakPolarHBondContact CA-O 3.4Å; T428-V722 HydrophobicContact CG2-CB 4.05Å; T428-V722 HydrophobicContact CG2-CG1 4.44Å; T428-V744 HydrophobicContact CG2-CG2 4.4Å; T428-A747 HydrophobicContact CG2-CB 3.36Å
429T98.8Very high96.7Very high0 Ų041.3 Ų41.30%023%0.225CC..BIsolated β-bridgetrans-151178.7176.5-164.50000110.9V479 K549 W721 V722 N723 M743T429-V479 WeakPolarHBondContact CA-O 3.44Å; T429-V479 WeakPolarHBondContact CB-O 3.31Å; T429-V479 PolarHBondContact OG1-O 3.2Å; T429-K549 WeakPolarHBondContact OG1-CE 3.43Å; T429-K549 PolarHBondContact OG1-NZ 2.95Å; T429-W721 HydrophobicContact CG2-CE3 3.82Å; T429-W721 HydrophobicContact CG2-CZ3 4.14Å; T429-V722 PolarHBondContact N-O 3.09Å; T429-N723 HydrophobicContact CG2-CB 4.19Å; T429-M743 WeakPolarHBondContact O-CE 3.47Å
430T98.2Very high96.6Very high1 Ų138.5 Ų38.51%0.00620%0.2CC..  trans-124.5175.5166.770.50000109.6F434 L477 V481 K549 P724 L728 L740T430-F434 HydrophobicContact CG2-CZ 4.41Å; T430-L477 HydrophobicContact CG2-CD1 4.04Å; T430-V481 WeakPolarHBondContact OG1-CG2 3.38Å; T430-K549 PolarHBondContact O-NZ 3.32Å; T430-P724 HydrophobicContact CG2-CG 4.47Å; T430-L728 HydrophobicContact CG2-CD1 4.33Å; T430-L740 HydrophobicContact CG2-CD1 4.1Å; T430-L740 HydrophobicContact CG2-CD2 3.79Å
431I96.8Very high96.3Very high5 Ų540.5 Ų40.53%0.02621%0.208CC..  trans-86.4-24.6-169.9-55.5-52.7000112.9Q597 H641 T663 N723I431-Q597 PolarHBondContact O-NE2 2.81Å; I431-H641 HydrophobicContact CG2-CB 4.13Å; I431-H641 WeakPolarHBondContact CG2-CD2 3.43Å; I431-T663 HydrophobicContact CD1-CG2 4.08Å; I431-N723 HydrophobicContact CD1-CB 3.99Å
432G97.3Very high96.1Very high0 Ų042 Ų420%022%0.22CC..SBendtrans155.3-82.2179.500000112.7V481 G483 E484G432-V481 WeakPolarHBondContact O-CG2 3.44Å; G432-G483 WeakPolarHBondContact O-CA 3.41Å; G432-E484 VanDerWaalsContact CA-OE1 3.29Å; G432-E484 WeakPolarHBondContact CA-OE1 3.46Å
433S96.8Very high96.1Very high18 Ų1835.3 Ų35.313%0.12619%0.192CC..BIsolated β-bridgetrans-65.8140.7-176.159.70000114.4E484 G727 L728 K729S433-E484 PolarHBondContact N-OE1 3.13Å; S433-G727 WeakPolarHBondContact OG-CA 3.11Å; S433-L728 WeakPolarHBondContact O-CA 3.41Å; S433-L728 WeakPolarHBondContact O-CB 3.47Å; S433-L728 PolarHBondContact O-N 3.05Å; S433-L728 PolarHBondContact OG-N 3.37Å; S433-K729 WeakPolarHBondContact OG-CB 3.42Å; S433-K729 PolarHBondContact OG-N 2.76Å
434F97.6Very high95.9Very high10 Ų1034.2 Ų34.24%0.04419%0.185CC..  trans-104.9170.5167.1-91.6-69.5000111.2T430 Q436 A468 Q472 V481 G483 L728 K729 W733 T736 L740T430-F434 HydrophobicContact CG2-CZ 4.41Å; F434-Q436 PolarHBondContact O-N 3.28Å; F434-Q436 VanDerWaalsContact O-N 3.13Å; F434-A468 HydrophobicContact CD2-CB 3.87Å; F434-A468 HydrophobicContact CE2-CB 4.36Å; F434-A468 HydrophobicContact CG-CB 4.48Å; F434-Q472 HydrophobicContact CE2-CG 3.68Å; F434-Q472 HydrophobicContact CZ-CG 3.47Å; F434-Q472 VanDerWaalsContact CZ-CG 3.47Å; F434-V481 HydrophobicContact CD2-CG2 3.99Å; F434-V481 HydrophobicContact CE2-CG2 3.52Å; F434-V481 HydrophobicContact CZ-CG2 4.47Å; F434-G483 PolarHBondContact N-O 3.49Å; F434-L728 HydrophobicContact CD1-CD1 4.09Å; F434-L728 HydrophobicContact CE1-CD1 3.83Å; F434-K729 WeakPolarHBondContact O-CA 3.21Å; F434-W733 HydrophobicContact CB-CH2 4.23Å; F434-W733 HydrophobicContact CB-CZ2 4.3Å; F434-W733 AromaticContact CD1-CH2 3.71Å; F434-W733 HydrophobicContact CD1-CH2 3.71Å; F434-W733 HydrophobicContact CD1-CZ2 4.5Å; F434-W733 AromaticContact CD1-CZ3 3.9Å; F434-W733 HydrophobicContact CD1-CZ3 3.9Å; F434-W733 HydrophobicContact CE1-CH2 4.3Å; F434-W733 HydrophobicContact CE1-CZ3 4.2Å; F434-W733 AromaticContact CG-CH2 3.97Å; F434-W733 HydrophobicContact CG-CH2 3.97Å; F434-T736 HydrophobicContact CD1-CG2 4.04Å; F434-T736 HydrophobicContact CE1-CG2 3.92Å; F434-L740 HydrophobicContact CE1-CD1 3.86Å; F434-L740 HydrophobicContact CZ-CD1 4.27Å
435P95.8Very high95.6Very high3 Ų335.9 Ų35.92%0.01919%0.191CC..  trans-42.7117.4179.2-37.940.8000114.7T437 R731 W733 T736P435-T437 PolarHBondContact O-N 3Å; P435-R731 WeakPolarHBondContact CA-O 3.46Å; P435-R731 WeakPolarHBondContact CB-O 3.5Å; P435-R731 WeakPolarHBondContact CG-O 3.44Å; P435-W733 HydrophobicContact CB-CD2 4.42Å; P435-W733 HydrophobicContact CB-CG 4.29Å; P435-W733 HydrophobicContact CG-CD2 4.07Å; P435-W733 HydrophobicContact CG-CG 4.19Å; P435-T736 HydrophobicContact CG-CG2 4.45Å
436Q92.8Very high95.6Very high27 Ų2735.4 Ų35.413%0.12618%0.18CC..  trans-83.285.8177.1-174.9-169.9-13.800110.2F434 I440 R441 R444 K729F434-Q436 PolarHBondContact O-N 3.28Å; F434-Q436 VanDerWaalsContact O-N 3.13Å; Q436-I440 HydrophobicContact CG-CG2 4.39Å; Q436-R441 HydrophobicContact CG-CG 3.95Å; Q436-R441 PolarHBondContact O-NE 3.1Å; Q436-R441 PolarHBondContact O-NH2 2.91Å; Q436-R441 VanDerWaalsContact O-NH2 3.17Å; Q436-R444 VanDerWaalsContact CG-NH2 3.34Å; Q436-K729 HydrophobicContact CB-CG 3.86Å; Q436-K729 PolarHBondContact N-O 3.01Å
437T93.2Very high95.5Very high30 Ų3038.4 Ų38.418%0.18419%0.193CC..  trans-68.8168.2-174.978.50000113.4P435 E439 I440 R441P435-T437 PolarHBondContact O-N 3Å; T437-E439 WeakPolarHBondContact CB-OE2 3.35Å; T437-E439 PolarHBondContact O-N 3.49Å; T437-E439 PolarHBondContact OG1-N 3.45Å; T437-E439 PolarHBondContact OG1-OE2 3.35Å; T437-I440 HydrophobicContact CG2-CD1 4.5Å; T437-I440 PolarHBondContact O-N 3.32Å; T437-I440 PolarHBondContact OG1-N 3.41Å; T437-R441 WeakPolarHBondContact O-CG 2.95Å; T437-R441 PolarHBondContact O-N 3.03Å; T437-R441 VanDerWaalsContact O-N 3.12Å
438T92Very high95Very high99 Ų9942.5 Ų42.561%0.60721%0.21SC*.Hα-helixtrans-59-40.1175.1-57.60000110.9R441 T442T438-R441 PolarHBondContact O-N 3.06Å; T438-T442 WeakPolarHBondContact O-CB 3.13Å; T438-T442 PolarHBondContact O-N 2.72Å; T438-T442 PolarHBondContact O-OG1 2.95Å
439E95.3Very high94.6Very high115 Ų11548.5 Ų48.554%0.53724%0.236SC..Hα-helixtrans-61.9-48179.5-58.370.9-150.900111T437 R441 T442 L443T437-E439 WeakPolarHBondContact CB-OE2 3.35Å; T437-E439 PolarHBondContact O-N 3.49Å; T437-E439 PolarHBondContact OG1-N 3.45Å; T437-E439 PolarHBondContact OG1-OE2 3.35Å; E439-R441 VanDerWaalsContact C-N 3.29Å; E439-R441 PolarHBondContact O-N 2.76Å; E439-T442 PolarHBondContact O-N 3.28Å; E439-L443 WeakPolarHBondContact O-CB 3.04Å; E439-L443 PolarHBondContact O-N 3.1Å
440I95.7Very high94.4Very high11 Ų1151.6 Ų51.66%0.05627%0.268CS..Hα-helixtrans-60.5-39.3176.4-66.4171.4000111.4Q436 T437 R444 H464 A485Q436-I440 HydrophobicContact CG-CG2 4.39Å; T437-I440 HydrophobicContact CG2-CD1 4.5Å; T437-I440 PolarHBondContact O-N 3.32Å; T437-I440 PolarHBondContact OG1-N 3.41Å; I440-R444 PolarHBondContact O-N 2.87Å; I440-R444 PolarHBondContact O-NE 2.95Å; I440-R444 VanDerWaalsContact O-NE 3.15Å; I440-H464 HydrophobicContact CD1-CB 4.3Å; I440-H464 HydrophobicContact CG1-CB 4.34Å; I440-A485 HydrophobicContact CD1-CB 4.12Å; I440-A485 HydrophobicContact CG1-CB 4.5Å; I440-A485 HydrophobicContact CG2-CB 4.38Å; I440-A485 VanDerWaalsContact CG2-O 3.24Å; I440-A485 WeakPolarHBondContact CG2-O 3.37Å
441R92.3Very high94.3Very high135 Ų13557 Ų5751%0.50930%0.296SS..Hα-helixtrans-67.8-44.6177.7-68.5171.3-165.5-161.90.7111.5Q436 T437 T438 E439 L445Q436-R441 HydrophobicContact CG-CG 3.95Å; Q436-R441 PolarHBondContact O-NE 3.1Å; Q436-R441 PolarHBondContact O-NH2 2.91Å; Q436-R441 VanDerWaalsContact O-NH2 3.17Å; T437-R441 WeakPolarHBondContact O-CG 2.95Å; T437-R441 PolarHBondContact O-N 3.03Å; T437-R441 VanDerWaalsContact O-N 3.12Å; T438-R441 PolarHBondContact O-N 3.06Å; E439-R441 VanDerWaalsContact C-N 3.29Å; E439-R441 PolarHBondContact O-N 2.76Å; R441-L445 VanDerWaalsContact O-CB 3.3Å; R441-L445 WeakPolarHBondContact O-CB 3.3Å; R441-L445 PolarHBondContact O-N 3.46Å
442T95Very high94.2Very high65 Ų6558.8 Ų58.840%0.39931%0.306SS..Hα-helixtrans-63.2-47.5178.1-61.40000110.7T438 E439 R444 L445 D446T438-T442 WeakPolarHBondContact O-CB 3.13Å; T438-T442 PolarHBondContact O-N 2.72Å; T438-T442 PolarHBondContact O-OG1 2.95Å; E439-T442 PolarHBondContact O-N 3.28Å; T442-R444 VanDerWaalsContact C-N 3.34Å; T442-R444 PolarHBondContact O-N 3.22Å; T442-L445 WeakPolarHBondContact O-CB 3.09Å; T442-L445 PolarHBondContact O-N 3.11Å; T442-L445 VanDerWaalsContact O-N 3.09Å; T442-D446 WeakPolarHBondContact CG2-OD2 3.38Å; T442-D446 WeakPolarHBondContact O-CB 3.46Å; T442-D446 PolarHBondContact O-N 3.13Å
443L95.7Very high94.1Very high33 Ų3362.8 Ų62.817%0.17333%0.328CS..Hα-helixtrans-55.5-47.3179.6-171.773.5000112.2E439 F447 L452 Y457 G460 I461E439-L443 WeakPolarHBondContact O-CB 3.04Å; E439-L443 PolarHBondContact O-N 3.1Å; L443-F447 PolarHBondContact O-N 3.02Å; L443-F447 VanDerWaalsContact O-N 3.09Å; L443-L452 HydrophobicContact CD1-CD2 3.42Å; L443-L452 VanDerWaalsContact CD1-CD2 3.42Å; L443-L452 HydrophobicContact CG-CD2 4.22Å; L443-Y457 HydrophobicContact CD2-CD2 4.38Å; L443-Y457 HydrophobicContact CG-CD2 4.03Å; L443-Y457 HydrophobicContact CG-CE2 4.38Å; L443-G460 VanDerWaalsContact CD2-C 3.48Å; L443-I461 HydrophobicContact CD2-CD1 3.73Å; L443-I461 HydrophobicContact CD2-CG1 3.88Å
444R93.6Very high94Very high23 Ų2364.7 Ų64.79%0.08734%0.344CS..Hα-helixtrans-68.3-38.4176.4-74.9179.2-59.6174.99.3113.2Q436 I440 T442 K448 Y457 I461 A485 E486 R487Q436-R444 VanDerWaalsContact CG-NH2 3.34Å; I440-R444 PolarHBondContact O-N 2.87Å; I440-R444 PolarHBondContact O-NE 2.95Å; I440-R444 VanDerWaalsContact O-NE 3.15Å; T442-R444 VanDerWaalsContact C-N 3.34Å; T442-R444 PolarHBondContact O-N 3.22Å; R444-K448 VanDerWaalsContact O-CB 3.3Å; R444-K448 WeakPolarHBondContact O-CB 3.47Å; R444-K448 PolarHBondContact O-N 3.05Å; R444-Y457 HydrophobicContact CB-CE2 4.42Å; R444-Y457 HydrophobicContact CG-CE2 3.64Å; R444-Y457 WeakPolarHBondContact CG-OH 3.41Å; R444-I461 HydrophobicContact CG-CD1 4.4Å; R444-A485 WeakPolarHBondContact CD-O 3.32Å; R444-A485 PolarHBondContact NH1-O 3.04Å; R444-E486 WeakPolarHBondContact CD-O 3.46Å; R444-R487 PolarHBondContact NH1-O 2.65Å
445L91.5Very high94Very high86 Ų8669.7 Ų69.745%0.4537%0.371SS..Hα-helixtrans-64-43.3177.6-178.263.4000111.2R441 T442 K448 K449R441-L445 VanDerWaalsContact O-CB 3.3Å; R441-L445 WeakPolarHBondContact O-CB 3.3Å; R441-L445 PolarHBondContact O-N 3.46Å; T442-L445 WeakPolarHBondContact O-CB 3.09Å; T442-L445 PolarHBondContact O-N 3.11Å; T442-L445 VanDerWaalsContact O-N 3.09Å; L445-K448 PolarHBondContact O-N 3.01Å; L445-K449 HydrophobicContact CD1-CD 4.31Å; L445-K449 HydrophobicContact CD1-CG 4.44Å; L445-K449 HydrophobicContact CG-CD 4.18Å; L445-K449 WeakPolarHBondContact O-CB 3.42Å; L445-K449 WeakPolarHBondContact O-CG 3.35Å; L445-K449 PolarHBondContact O-N 3.15Å
446D95.3Very high94Very high51 Ų5173.7 Ų73.727%0.27339%0.393SS..Hα-helixtrans-67.2-41.4179.8-76.7-29.3000111.6T442 K449 G450 N451 L452T442-D446 WeakPolarHBondContact CG2-OD2 3.38Å; T442-D446 WeakPolarHBondContact O-CB 3.46Å; T442-D446 PolarHBondContact O-N 3.13Å; D446-K449 PolarHBondContact O-N 2.75Å; D446-G450 PolarHBondContact O-N 2.98Å; D446-G450 VanDerWaalsContact O-N 3.1Å; D446-N451 HydrophobicContact CB-CB 3.98Å; D446-N451 PolarHBondContact O-N 2.96Å; D446-N451 PolarHBondContact OD1-ND2 3.26Å; D446-N451 VanDerWaalsContact OD1-ND2 3.14Å; D446-L452 HydrophobicContact CB-CB 4.26Å; D446-L452 PolarHBondContact O-N 3.36Å
447F94.8Very high94.2Very high84 Ų8473.9 Ų73.937%0.36839%0.392SS..Hα-helixtrans-60-48.8170.6179.9-116.8000111.9L443 K449 G450 L452 A454 Y457L443-F447 PolarHBondContact O-N 3.02Å; L443-F447 VanDerWaalsContact O-N 3.09Å; F447-K449 PolarHBondContact O-N 3.4Å; F447-K449 VanDerWaalsContact O-N 3.16Å; F447-G450 PolarHBondContact O-N 2.71Å; F447-L452 WeakPolarHBondContact CD2-O 3.27Å; F447-A454 HydrophobicContact CE2-CB 4.09Å; F447-Y457 HydrophobicContact CB-CD2 3.51Å; F447-Y457 HydrophobicContact CB-CE2 4.12Å; F447-Y457 HydrophobicContact CB-CG 3.8Å; F447-Y457 AromaticContact CD1-CD1 3.83Å; F447-Y457 HydrophobicContact CD1-CD1 3.83Å; F447-Y457 HydrophobicContact CD1-CD2 4.1Å; F447-Y457 AromaticContact CD1-CE1 3.98Å; F447-Y457 HydrophobicContact CD1-CE1 3.98Å; F447-Y457 HydrophobicContact CD1-CE2 4.26Å; F447-Y457 AromaticContact CD1-CG 3.89Å; F447-Y457 HydrophobicContact CD1-CG 3.89Å; F447-Y457 HydrophobicContact CD2-CD1 4.28Å; F447-Y457 HydrophobicContact CD2-CD2 4.49Å; F447-Y457 AromaticContact CD2-CG 3.9Å; F447-Y457 HydrophobicContact CD2-CG 3.9Å; F447-Y457 HydrophobicContact CE1-CD1 4.02Å; F447-Y457 HydrophobicContact CE1-CE1 4.18Å; F447-Y457 HydrophobicContact CE1-CG 4.46Å; F447-Y457 HydrophobicContact CE2-CD1 4.46Å; F447-Y457 HydrophobicContact CE2-CG 4.49Å; F447-Y457 AromaticContact CG-CD1 3.98Å; F447-Y457 HydrophobicContact CG-CD1 3.98Å; F447-Y457 AromaticContact CG-CD2 3.79Å; F447-Y457 HydrophobicContact CG-CD2 3.79Å; F447-Y457 HydrophobicContact CG-CE2 4.37Å; F447-Y457 AromaticContact CG-CG 3.58Å; F447-Y457 HydrophobicContact CG-CG 3.58Å; F447-Y457 HydrophobicContact CZ-CD1 4.34Å
448K87.7Confident94.4Very high97 Ų9778.4 Ų78.442%0.42241%0.406SS..Hα-helixtrans-64.4-20.6178.9-168.5161-172.3152.40113.6R444 L445 E492 E496R444-K448 VanDerWaalsContact O-CB 3.3Å; R444-K448 WeakPolarHBondContact O-CB 3.47Å; R444-K448 PolarHBondContact O-N 3.05Å; L445-K448 PolarHBondContact O-N 3.01Å; K448-E492 IonicContact NZ-OE1 2.72Å; K448-E496 IonicContact NZ-OE1 3.72Å; K448-E496 PolarHBondContact NZ-OE1 2.99Å
449K90.1Very high94.6Very high126 Ų12678 Ų7855%0.54840%0.404SS..Hα-helixtrans-91.7-8.3173.6-76-179.8177177.30113.7L445 D446 F447 N451L445-K449 HydrophobicContact CD1-CD 4.31Å; L445-K449 HydrophobicContact CD1-CG 4.44Å; L445-K449 HydrophobicContact CG-CD 4.18Å; L445-K449 WeakPolarHBondContact O-CB 3.42Å; L445-K449 WeakPolarHBondContact O-CG 3.35Å; L445-K449 PolarHBondContact O-N 3.15Å; D446-K449 PolarHBondContact O-N 2.75Å; F447-K449 PolarHBondContact O-N 3.4Å; F447-K449 VanDerWaalsContact O-N 3.16Å; K449-N451 VanDerWaalsContact C-N 3.29Å
450G94Very high94.7Very high64 Ų6473.5 Ų73.566%0.6639%0.388SS*.THydrogen-bonded Turntrans76.313.8-174.400000114.3D446 F447 L452D446-G450 PolarHBondContact O-N 2.98Å; D446-G450 VanDerWaalsContact O-N 3.1Å; F447-G450 PolarHBondContact O-N 2.71Å; G450-L452 VanDerWaalsContact C-N 3.26Å
451N96Very high94.8Very high114 Ų11473 Ų7361%0.6139%0.385SS*.SBendtrans-77.4-15.5174.9-64.7-20.2000112.3D446 K449D446-N451 HydrophobicContact CB-CB 3.98Å; D446-N451 PolarHBondContact O-N 2.96Å; D446-N451 PolarHBondContact OD1-ND2 3.26Å; D446-N451 VanDerWaalsContact OD1-ND2 3.14Å; K449-N451 VanDerWaalsContact C-N 3.29Å
452L94.7Very high95.1Very high44 Ų4467.1 Ų67.123%0.2337%0.366CS..SBendtrans-130.8133.5-178.7-164.970.3000108.8L443 D446 F447 G450 N456 Y457L443-L452 HydrophobicContact CD1-CD2 3.42Å; L443-L452 VanDerWaalsContact CD1-CD2 3.42Å; L443-L452 HydrophobicContact CG-CD2 4.22Å; D446-L452 HydrophobicContact CB-CB 4.26Å; D446-L452 PolarHBondContact O-N 3.36Å; F447-L452 WeakPolarHBondContact CD2-O 3.27Å; G450-L452 VanDerWaalsContact C-N 3.26Å; L452-N456 HydrophobicContact CD1-CB 3.57Å; L452-N456 HydrophobicContact CD2-CB 4.44Å; L452-N456 HydrophobicContact CG-CB 3.84Å; L452-Y457 HydrophobicContact CD2-CD2 4.49Å
453D96.2Very high95.3Very high84 Ų8468.7 Ų68.745%0.44937%0.368SS..  trans-74.5165.817367.958.4000112.1N455 N456 Y457D453-N455 VanDerWaalsContact C-N 3.3Å; D453-N455 PolarHBondContact O-N 2.8Å; D453-N455 WeakPolarHBondContact OD1-CA 3.43Å; D453-N455 WeakPolarHBondContact OD1-CB 3.24Å; D453-N455 PolarHBondContact OD1-N 2.73Å; D453-N456 PolarHBondContact O-N 3.01Å; D453-N456 PolarHBondContact OD1-N 3.02Å; D453-N456 PolarHBondContact OD1-ND2 2.84Å; D453-N456 PolarHBondContact OD2-ND2 2.81Å; D453-Y457 WeakPolarHBondContact O-CB 3.5Å; D453-Y457 PolarHBondContact O-N 2.76Å
454A94.9Very high95.4Very high57 Ų5768.7 Ų68.747%0.47137%0.367SS..Hα-helixtrans-62.2-33.6-176.700000113.6F447 R458F447-A454 HydrophobicContact CE2-CB 4.09Å; A454-R458 WeakPolarHBondContact O-CB 3.34Å; A454-R458 PolarHBondContact O-N 3.15Å
455N96.6Very high95.6Very high116 Ų11667.6 Ų67.662%0.6236%0.363SS*.Hα-helixtrans-73-42-178.3-75-21.8000111.4D453 R458 T459D453-N455 VanDerWaalsContact C-N 3.3Å; D453-N455 PolarHBondContact O-N 2.8Å; D453-N455 WeakPolarHBondContact OD1-CA 3.43Å; D453-N455 WeakPolarHBondContact OD1-CB 3.24Å; D453-N455 PolarHBondContact OD1-N 2.73Å; N455-R458 PolarHBondContact O-N 3.39Å; N455-T459 WeakPolarHBondContact O-CB 3.36Å; N455-T459 PolarHBondContact O-N 3.34Å; N455-T459 PolarHBondContact O-OG1 3.03Å
456N97Very high95.9Very high87 Ų8766.9 Ų66.947%0.46536%0.355SS..Hα-helixtrans-68.6-40.5176.2-76.8-46000111.4L452 D453 R458 T459 G460L452-N456 HydrophobicContact CD1-CB 3.57Å; L452-N456 HydrophobicContact CD2-CB 4.44Å; L452-N456 HydrophobicContact CG-CB 3.84Å; D453-N456 PolarHBondContact O-N 3.01Å; D453-N456 PolarHBondContact OD1-N 3.02Å; D453-N456 PolarHBondContact OD1-ND2 2.84Å; D453-N456 PolarHBondContact OD2-ND2 2.81Å; N456-R458 VanDerWaalsContact C-N 3.34Å; N456-R458 PolarHBondContact O-N 3.12Å; N456-T459 PolarHBondContact O-N 3.13Å; N456-G460 PolarHBondContact O-N 3.26Å
457Y96.7Very high96.1Very high30 Ų3067.5 Ų67.512%0.11836%0.356CS..Hα-helixtrans-56.8-50.4170.3175.7-110.5000111L443 R444 F447 L452 D453 T459 G460 I461L443-Y457 HydrophobicContact CD2-CD2 4.38Å; L443-Y457 HydrophobicContact CG-CD2 4.03Å; L443-Y457 HydrophobicContact CG-CE2 4.38Å; R444-Y457 HydrophobicContact CB-CE2 4.42Å; R444-Y457 HydrophobicContact CG-CE2 3.64Å; R444-Y457 WeakPolarHBondContact CG-OH 3.41Å; F447-Y457 HydrophobicContact CB-CD2 3.51Å; F447-Y457 HydrophobicContact CB-CE2 4.12Å; F447-Y457 HydrophobicContact CB-CG 3.8Å; F447-Y457 AromaticContact CD1-CD1 3.83Å; F447-Y457 HydrophobicContact CD1-CD1 3.83Å; F447-Y457 HydrophobicContact CD1-CD2 4.1Å; F447-Y457 AromaticContact CD1-CE1 3.98Å; F447-Y457 HydrophobicContact CD1-CE1 3.98Å; F447-Y457 HydrophobicContact CD1-CE2 4.26Å; F447-Y457 AromaticContact CD1-CG 3.89Å; F447-Y457 HydrophobicContact CD1-CG 3.89Å; F447-Y457 HydrophobicContact CD2-CD1 4.28Å; F447-Y457 HydrophobicContact CD2-CD2 4.49Å; F447-Y457 AromaticContact CD2-CG 3.9Å; F447-Y457 HydrophobicContact CD2-CG 3.9Å; F447-Y457 HydrophobicContact CE1-CD1 4.02Å; F447-Y457 HydrophobicContact CE1-CE1 4.18Å; F447-Y457 HydrophobicContact CE1-CG 4.46Å; F447-Y457 HydrophobicContact CE2-CD1 4.46Å; F447-Y457 HydrophobicContact CE2-CG 4.49Å; F447-Y457 AromaticContact CG-CD1 3.98Å; F447-Y457 HydrophobicContact CG-CD1 3.98Å; F447-Y457 AromaticContact CG-CD2 3.79Å; F447-Y457 HydrophobicContact CG-CD2 3.79Å; F447-Y457 HydrophobicContact CG-CE2 4.37Å; F447-Y457 AromaticContact CG-CG 3.58Å; F447-Y457 HydrophobicContact CG-CG 3.58Å; F447-Y457 HydrophobicContact CZ-CD1 4.34Å; L452-Y457 HydrophobicContact CD2-CD2 4.49Å; D453-Y457 WeakPolarHBondContact O-CB 3.5Å; D453-Y457 PolarHBondContact O-N 2.76Å; Y457-T459 VanDerWaalsContact C-N 3.32Å; Y457-T459 PolarHBondContact O-N 3.45Å; Y457-G460 PolarHBondContact O-N 3.47Å; Y457-I461 HydrophobicContact CD2-CG1 4.12Å; Y457-I461 HydrophobicContact CE1-CG1 4.06Å; Y457-I461 HydrophobicContact CE2-CD1 3.83Å; Y457-I461 HydrophobicContact CE2-CG1 3.57Å; Y457-I461 WeakPolarHBondContact O-CG1 3.46Å; Y457-I461 PolarHBondContact O-N 3.4Å
458R96.6Very high96.3Very high126 Ų12663.7 Ų63.748%0.47534%0.34SS..Hα-helixtrans-58.3-45.4-178.9-176.7-176.3-179.5174.24.8112.1A454 N455 N456 I461 A462 E535 W536A454-R458 WeakPolarHBondContact O-CB 3.34Å; A454-R458 PolarHBondContact O-N 3.15Å; N455-R458 PolarHBondContact O-N 3.39Å; N456-R458 VanDerWaalsContact C-N 3.34Å; N456-R458 PolarHBondContact O-N 3.12Å; R458-I461 PolarHBondContact O-N 2.96Å; R458-A462 VanDerWaalsContact O-CB 3.31Å; R458-A462 WeakPolarHBondContact O-CB 3.37Å; R458-A462 PolarHBondContact O-N 3.35Å; R458-E535 WeakPolarHBondContact CD-OE1 3.2Å; R458-E535 IonicContact CZ-OE1 3.98Å; R458-E535 IonicContact NE-OE1 2.63Å; R458-E535 PolarHBondContact NE-OE1 3.24Å; R458-E535 IonicContact NH1-OE1 2.72Å; R458-E535 IonicContact NH2-OE1 3.82Å; R458-E535 PolarHBondContact NH2-OE1 2.9Å; R458-W536 HydrophobicContact CB-CH2 4.4Å; R458-W536 HydrophobicContact CG-CH2 3.93Å; R458-W536 HydrophobicContact CG-CZ3 4.39Å
459T97.4Very high96.8Very high91 Ų9159.1 Ų59.156%0.55832%0.32SS*.Hα-helixtrans-62.9-44.3178.3-57.30000111.6N455 N456 Y457 A462 E463N455-T459 WeakPolarHBondContact O-CB 3.36Å; N455-T459 PolarHBondContact O-N 3.34Å; N455-T459 PolarHBondContact O-OG1 3.03Å; N456-T459 PolarHBondContact O-N 3.13Å; Y457-T459 VanDerWaalsContact C-N 3.32Å; Y457-T459 PolarHBondContact O-N 3.45Å; T459-A462 PolarHBondContact O-N 2.96Å; T459-E463 PolarHBondContact O-N 3.39Å
460G97.5Very high97.2Very high19 Ų1957.5 Ų57.520%0.19632%0.32CS..Hα-helixtrans-65.2-40.2178.800000113.3L443 N456 Y457 E463 H464L443-G460 VanDerWaalsContact CD2-C 3.48Å; N456-G460 PolarHBondContact O-N 3.26Å; Y457-G460 PolarHBondContact O-N 3.47Å; G460-E463 WeakPolarHBondContact O-CB 3.49Å; G460-E463 PolarHBondContact O-N 2.88Å; G460-H464 PolarHBondContact O-CD2 3.03Å; G460-H464 VanDerWaalsContact O-CD2 3.23Å; G460-H464 PolarHBondContact O-N 2.95Å
461I97.8Very high97.4Very high0 Ų055.7 Ų55.70%030%0.295CS..Hα-helixtrans-67-42.7175-66.3-63.4000111L443 R444 Y457 R458 E463 H464 I465 A485 E486 W536L443-I461 HydrophobicContact CD2-CD1 3.73Å; L443-I461 HydrophobicContact CD2-CG1 3.88Å; R444-I461 HydrophobicContact CG-CD1 4.4Å; Y457-I461 HydrophobicContact CD2-CG1 4.12Å; Y457-I461 HydrophobicContact CE1-CG1 4.06Å; Y457-I461 HydrophobicContact CE2-CD1 3.83Å; Y457-I461 HydrophobicContact CE2-CG1 3.57Å; Y457-I461 WeakPolarHBondContact O-CG1 3.46Å; Y457-I461 PolarHBondContact O-N 3.4Å; R458-I461 PolarHBondContact O-N 2.96Å; I461-E463 PolarHBondContact O-N 3.21Å; I461-H464 PolarHBondContact O-N 3.44Å; I461-H464 VanDerWaalsContact O-N 3.09Å; I461-I465 HydrophobicContact CG2-CD1 3.92Å; I461-I465 HydrophobicContact CG2-CG1 4.41Å; I461-I465 PolarHBondContact O-N 2.58Å; I461-A485 HydrophobicContact CD1-CB 4.33Å; I461-A485 HydrophobicContact CG2-CB 4.43Å; I461-E486 HydrophobicContact CG2-CB 3.94Å; I461-W536 HydrophobicContact CB-CH2 3.55Å; I461-W536 HydrophobicContact CB-CZ2 4.21Å; I461-W536 HydrophobicContact CB-CZ3 3.88Å; I461-W536 HydrophobicContact CG1-CH2 4.36Å; I461-W536 HydrophobicContact CG2-CD2 4.22Å; I461-W536 HydrophobicContact CG2-CE3 3.85Å; I461-W536 HydrophobicContact CG2-CH2 3.38Å; I461-W536 HydrophobicContact CG2-CZ2 3.8Å; I461-W536 HydrophobicContact CG2-CZ3 3.42Å; I461-W536 VanDerWaalsContact CG2-CZ3 3.42Å
462A98.2Very high97.5Very high13 Ų1350.2 Ų50.211%0.10727%0.266CS..Hα-helixtrans-57.8-36.1175.700000112.1R458 T459 I465 R466 W536 Y539R458-A462 VanDerWaalsContact O-CB 3.31Å; R458-A462 WeakPolarHBondContact O-CB 3.37Å; R458-A462 PolarHBondContact O-N 3.35Å; T459-A462 PolarHBondContact O-N 2.96Å; A462-I465 PolarHBondContact O-N 3.33Å; A462-R466 WeakPolarHBondContact O-CB 3.27Å; A462-R466 PolarHBondContact O-N 3.15Å; A462-W536 HydrophobicContact CB-CZ3 4.45Å; A462-Y539 HydrophobicContact CB-CD1 4.11Å; A462-Y539 HydrophobicContact CB-CE1 3.56Å; A462-Y539 WeakPolarHBondContact O-CE1 3.27Å
463E98.2Very high97.7Very high97 Ų9751.3 Ų51.345%0.45327%0.269SS..Hα-helixtrans-60.2-47.1173.1-16960.4-140.200112.5T459 G460 I461 R466 Q467T459-E463 PolarHBondContact O-N 3.39Å; G460-E463 WeakPolarHBondContact O-CB 3.49Å; G460-E463 PolarHBondContact O-N 2.88Å; I461-E463 PolarHBondContact O-N 3.21Å; E463-R466 PolarHBondContact O-N 2.96Å; E463-R466 IonicContact OE1-CZ 2.78Å; E463-R466 IonicContact OE1-NH1 2.8Å; E463-R466 PolarHBondContact OE1-NH1 2.78Å; E463-R466 IonicContact OE2-CZ 3.89Å; E463-R466 IonicContact OE2-NH1 3.23Å; E463-R466 PolarHBondContact OE2-NH1 2.97Å; E463-R466 IonicContact OE2-NH2 2.79Å; E463-R466 PolarHBondContact OE2-NH2 3.49Å; E463-Q467 PolarHBondContact O-N 2.81Å
464H98Very high97.8Very high33 Ų3357 Ų5715%0.15328%0.284CS..Hα-helixtrans-67.1-37.6178.6-72.5-61.7000112.8I440 G460 I461 R466 Q467 A468 A485I440-H464 HydrophobicContact CD1-CB 4.3Å; I440-H464 HydrophobicContact CG1-CB 4.34Å; G460-H464 PolarHBondContact O-CD2 3.03Å; G460-H464 VanDerWaalsContact O-CD2 3.23Å; G460-H464 PolarHBondContact O-N 2.95Å; I461-H464 PolarHBondContact O-N 3.44Å; I461-H464 VanDerWaalsContact O-N 3.09Å; H464-R466 VanDerWaalsContact C-N 3.34Å; H464-Q467 PolarHBondContact O-N 3.2Å; H464-A468 PolarHBondContact O-N 3.33Å; H464-A485 HydrophobicContact CB-CB 3.81Å
465I98.6Very high97.9Very high0 Ų055.8 Ų55.80%027%0.27CS..Hα-helixtrans-60.9-46.3172.6-70.7169.5000109.9I461 A462 Q467 A468 I469 H482 W536 Y539 A540 L543I461-I465 HydrophobicContact CG2-CD1 3.92Å; I461-I465 HydrophobicContact CG2-CG1 4.41Å; I461-I465 PolarHBondContact O-N 2.58Å; A462-I465 PolarHBondContact O-N 3.33Å; I465-Q467 VanDerWaalsContact C-N 3.35Å; I465-Q467 PolarHBondContact O-N 3.03Å; I465-A468 WeakPolarHBondContact O-CB 3.34Å; I465-A468 PolarHBondContact O-N 3.4Å; I465-A468 VanDerWaalsContact O-N 3.16Å; I465-I469 HydrophobicContact CG2-CG1 4.47Å; I465-I469 WeakPolarHBondContact O-CG1 3.32Å; I465-I469 PolarHBondContact O-N 2.93Å; I465-H482 HydrophobicContact CG1-CB 4.39Å; I465-H482 HydrophobicContact CG2-CB 4.01Å; I465-W536 HydrophobicContact CD1-CB 4.14Å; I465-W536 HydrophobicContact CD1-CD2 4Å; I465-W536 HydrophobicContact CD1-CE3 3.35Å; I465-W536 HydrophobicContact CD1-CG 4.36Å; I465-W536 HydrophobicContact CD1-CZ3 4.03Å; I465-Y539 HydrophobicContact CB-CD1 4.35Å; I465-Y539 HydrophobicContact CB-CE1 4.34Å; I465-Y539 HydrophobicContact CG2-CD1 3.94Å; I465-Y539 HydrophobicContact CG2-CE1 4.17Å; I465-A540 HydrophobicContact CG2-CB 3.75Å; I465-L543 HydrophobicContact CG2-CD1 4.48Å
466R98.7Very high98Very high72 Ų7251.3 Ų51.327%0.27225%0.252SS..Hα-helixtrans-63.8-40.5178.8-176168.50.484.95.7112.5A462 E463 H464 A468 I469 V470 Y539 L543A462-R466 WeakPolarHBondContact O-CB 3.27Å; A462-R466 PolarHBondContact O-N 3.15Å; E463-R466 PolarHBondContact O-N 2.96Å; E463-R466 IonicContact OE1-CZ 2.78Å; E463-R466 IonicContact OE1-NH1 2.8Å; E463-R466 PolarHBondContact OE1-NH1 2.78Å; E463-R466 IonicContact OE2-CZ 3.89Å; E463-R466 IonicContact OE2-NH1 3.23Å; E463-R466 PolarHBondContact OE2-NH1 2.97Å; E463-R466 IonicContact OE2-NH2 2.79Å; E463-R466 PolarHBondContact OE2-NH2 3.49Å; H464-R466 VanDerWaalsContact C-N 3.34Å; R466-A468 VanDerWaalsContact C-N 3.32Å; R466-A468 PolarHBondContact O-N 2.98Å; R466-I469 PolarHBondContact O-N 2.9Å; R466-V470 HydrophobicContact CG-CG2 4.38Å; R466-V470 WeakPolarHBondContact O-CB 3.35Å; R466-V470 VanDerWaalsContact O-CG2 3.31Å; R466-V470 WeakPolarHBondContact O-CG2 3.49Å; R466-V470 PolarHBondContact O-N 3.26Å; R466-Y539 PolarHBondContact NE-OH 3.16Å; R466-Y539 PolarHBondContact NH2-OH 3.17Å; R466-L543 HydrophobicContact CB-CD1 3.77Å; R466-L543 HydrophobicContact CG-CD1 3.99Å; R466-L543 HydrophobicContact CG-CD2 4.29Å
467Q98.2Very high98.1Very high64 Ų6447.2 Ų47.230%0.29923%0.229SC..Hα-helixtrans-56.2-48.6172-177-170.7-0.100110.8E463 H464 I465 I469 V470 E471E463-Q467 PolarHBondContact O-N 2.81Å; H464-Q467 PolarHBondContact O-N 3.2Å; I465-Q467 VanDerWaalsContact C-N 3.35Å; I465-Q467 PolarHBondContact O-N 3.03Å; Q467-I469 PolarHBondContact O-N 3.27Å; Q467-V470 PolarHBondContact O-N 2.7Å; Q467-E471 HydrophobicContact CG-CG 4.35Å; Q467-E471 WeakPolarHBondContact O-CB 3.39Å; Q467-E471 WeakPolarHBondContact O-CG 3.44Å; Q467-E471 PolarHBondContact O-N 3.38Å
468A98.5Very high98.2Very high3 Ų346.9 Ų46.93%0.02523%0.23CC..Hα-helixtrans-60-45.4179.100000111.9F434 H464 I465 R466 E471 Q472F434-A468 HydrophobicContact CD2-CB 3.87Å; F434-A468 HydrophobicContact CE2-CB 4.36Å; F434-A468 HydrophobicContact CG-CB 4.48Å; H464-A468 PolarHBondContact O-N 3.33Å; I465-A468 WeakPolarHBondContact O-CB 3.34Å; I465-A468 PolarHBondContact O-N 3.4Å; I465-A468 VanDerWaalsContact O-N 3.16Å; R466-A468 VanDerWaalsContact C-N 3.32Å; R466-A468 PolarHBondContact O-N 2.98Å; A468-E471 PolarHBondContact O-N 3.24Å; A468-Q472 VanDerWaalsContact C-NE2 3.29Å; A468-Q472 VanDerWaalsContact O-CG 3.24Å; A468-Q472 WeakPolarHBondContact O-CG 3.47Å; A468-Q472 PolarHBondContact O-N 3.02Å; A468-Q472 VanDerWaalsContact O-N 3.09Å; A468-Q472 PolarHBondContact O-NE2 2.73Å
469I98.8Very high98.3Very high2 Ų240.9 Ų40.91%0.0121%0.207CC..Hα-helixtrans-61.2-48.1177.6-64.8-62.3000111.3I465 R466 Q467 E471 Q472 E473 L480 A540 L543 T544 V548I465-I469 HydrophobicContact CG2-CG1 4.47Å; I465-I469 WeakPolarHBondContact O-CG1 3.32Å; I465-I469 PolarHBondContact O-N 2.93Å; R466-I469 PolarHBondContact O-N 2.9Å; Q467-I469 PolarHBondContact O-N 3.27Å; I469-E471 PolarHBondContact O-N 3.06Å; I469-Q472 PolarHBondContact O-N 3.37Å; I469-E473 HydrophobicContact CG2-CG 4.49Å; I469-E473 WeakPolarHBondContact O-CG 3.28Å; I469-E473 PolarHBondContact O-N 3.24Å; I469-L480 HydrophobicContact CD1-CB 4.25Å; I469-L480 HydrophobicContact CD1-CD1 4.42Å; I469-L480 HydrophobicContact CG2-CD1 4.49Å; I469-A540 HydrophobicContact CD1-CB 4.37Å; I469-L543 HydrophobicContact CG1-CD1 4.37Å; I469-L543 HydrophobicContact CG2-CB 4.02Å; I469-T544 HydrophobicContact CG2-CG2 3.97Å; I469-V548 HydrophobicContact CD1-CG1 4.46Å; I469-V548 HydrophobicContact CD1-CG2 4.17Å
470V98.5Very high98.4Very high91 Ų9136.6 Ų36.655%0.55218%0.181SC*.Hα-helixtrans-61.4-41.8179.8169.80000112.1R466 Q467 E473 R474R466-V470 HydrophobicContact CG-CG2 4.38Å; R466-V470 WeakPolarHBondContact O-CB 3.35Å; R466-V470 VanDerWaalsContact O-CG2 3.31Å; R466-V470 WeakPolarHBondContact O-CG2 3.49Å; R466-V470 PolarHBondContact O-N 3.26Å; Q467-V470 PolarHBondContact O-N 2.7Å; V470-E473 PolarHBondContact O-N 2.99Å; V470-R474 WeakPolarHBondContact O-CB 3.45Å; V470-R474 PolarHBondContact O-N 3.37Å
471E98.1Very high98.4Very high26 Ų2635.7 Ų35.712%0.12117%0.171CC..Hα-helixtrans-64.9-41.9178.3-69.3-79.2-178.400111.6Q467 A468 I469 R474 L475 W733 R737Q467-E471 HydrophobicContact CG-CG 4.35Å; Q467-E471 WeakPolarHBondContact O-CB 3.39Å; Q467-E471 WeakPolarHBondContact O-CG 3.44Å; Q467-E471 PolarHBondContact O-N 3.38Å; A468-E471 PolarHBondContact O-N 3.24Å; I469-E471 PolarHBondContact O-N 3.06Å; E471-R474 WeakPolarHBondContact O-CB 3.45Å; E471-R474 PolarHBondContact O-N 3.12Å; E471-L475 VanDerWaalsContact O-CG 3.29Å; E471-L475 WeakPolarHBondContact O-CG 3.47Å; E471-L475 PolarHBondContact O-N 3.07Å; E471-W733 HydrophobicContact CB-CH2 4.41Å; E471-W733 HydrophobicContact CB-CZ3 4.08Å; E471-W733 HydrophobicContact CG-CH2 4.3Å; E471-W733 HydrophobicContact CG-CZ3 4.04Å; E471-R737 VanDerWaalsContact CD-NE 3.35Å; E471-R737 IonicContact OE1-CZ 2.76Å; E471-R737 IonicContact OE1-NE 3.47Å; E471-R737 PolarHBondContact OE1-NE 2.7Å; E471-R737 IonicContact OE1-NH2 2.8Å; E471-R737 PolarHBondContact OE1-NH2 3.04Å; E471-R737 IonicContact OE2-CZ 2.69Å; E471-R737 IonicContact OE2-NE 3.01Å; E471-R737 PolarHBondContact OE2-NE 3.34Å; E471-R737 IonicContact OE2-NH2 2.83Å
472Q98.8Very high98.5Very high0 Ų035.9 Ų35.90%017%0.172CC..Hα-helixtrans-68.8-38.6178.6-68.6169.293.700112.7F434 A468 I469 R474 L475 G476 L477 L480 V481F434-Q472 HydrophobicContact CE2-CG 3.68Å; F434-Q472 HydrophobicContact CZ-CG 3.47Å; F434-Q472 VanDerWaalsContact CZ-CG 3.47Å; A468-Q472 VanDerWaalsContact C-NE2 3.29Å; A468-Q472 VanDerWaalsContact O-CG 3.24Å; A468-Q472 WeakPolarHBondContact O-CG 3.47Å; A468-Q472 PolarHBondContact O-N 3.02Å; A468-Q472 VanDerWaalsContact O-N 3.09Å; A468-Q472 PolarHBondContact O-NE2 2.73Å; I469-Q472 PolarHBondContact O-N 3.37Å; Q472-R474 VanDerWaalsContact C-N 3.33Å; Q472-L475 PolarHBondContact O-N 2.64Å; Q472-G476 PolarHBondContact O-N 3.1Å; Q472-L477 HydrophobicContact CB-CB 4.48Å; Q472-L477 HydrophobicContact CB-CD1 3.83Å; Q472-L477 HydrophobicContact CG-CD1 3.7Å; Q472-L477 PolarHBondContact O-N 3.26Å; Q472-L480 HydrophobicContact CB-CD2 3.31Å; Q472-L480 HydrophobicContact CG-CD2 4.22Å; Q472-V481 PolarHBondContact NE2-O 2.85Å; Q472-V481 PolarHBondContact OE1-O 3.38Å
473E98.6Very high98.5Very high66 Ų6635.5 Ų35.531%0.30817%0.17SC..Hα-helixtrans-59.3-45.8172.5-77.6-72.2-168.600111.3I469 V470 L475 G476 L480 T544 K546I469-E473 HydrophobicContact CG2-CG 4.49Å; I469-E473 WeakPolarHBondContact O-CG 3.28Å; I469-E473 PolarHBondContact O-N 3.24Å; V470-E473 PolarHBondContact O-N 2.99Å; E473-L475 VanDerWaalsContact C-N 3.29Å; E473-L475 PolarHBondContact O-N 2.79Å; E473-G476 PolarHBondContact O-N 3.48Å; E473-L480 HydrophobicContact CG-CD1 4.4Å; E473-T544 WeakPolarHBondContact OE1-CB 3.34Å; E473-T544 PolarHBondContact OE1-OG1 3.25Å; E473-K546 VanDerWaalsContact OE2-CE 3.27Å; E473-K546 WeakPolarHBondContact OE2-CE 3.33Å; E473-K546 IonicContact OE2-NZ 2.95Å; E473-K546 PolarHBondContact OE2-NZ 3Å
474R98.2Very high98.4Very high204 Ų20432.1 Ų32.177%0.7715%0.154SC*.Hα-helixtrans-60.9-37.8176.2-179.1-177176.2-178.11112.5V470 E471 Q472 G476V470-R474 WeakPolarHBondContact O-CB 3.45Å; V470-R474 PolarHBondContact O-N 3.37Å; E471-R474 WeakPolarHBondContact O-CB 3.45Å; E471-R474 PolarHBondContact O-N 3.12Å; Q472-R474 VanDerWaalsContact C-N 3.33Å; R474-G476 PolarHBondContact O-N 3.13Å
475L98Very high98.4Very high31 Ų3130.9 Ų30.916%0.16215%0.15CC..Hα-helixtrans-71.5-19.4176.4-72.4166.7000112.5E471 Q472 E473 L740 A741 V744E471-L475 VanDerWaalsContact O-CG 3.29Å; E471-L475 WeakPolarHBondContact O-CG 3.47Å; E471-L475 PolarHBondContact O-N 3.07Å; Q472-L475 PolarHBondContact O-N 2.64Å; E473-L475 VanDerWaalsContact C-N 3.29Å; E473-L475 PolarHBondContact O-N 2.79Å; L475-L740 HydrophobicContact CD1-CB 3.83Å; L475-L740 HydrophobicContact CD1-CD1 3.98Å; L475-A741 HydrophobicContact CD2-CB 3.86Å; L475-V744 WeakPolarHBondContact O-CG1 3.42Å
476G98.1Very high98.3Very high23 Ų2331.2 Ų31.224%0.23715%0.151CC..THydrogen-bonded Turntrans79.528.1-178.400000113.9Q472 E473 R474Q472-G476 PolarHBondContact O-N 3.1Å; E473-G476 PolarHBondContact O-N 3.48Å; R474-G476 PolarHBondContact O-N 3.13Å
477L98.7Very high98Very high0 Ų028.2 Ų28.20%014%0.14CC..  trans-64.4147.6172.1-74.3165.4000111.1T428 T430 Q472 L480 K546 M743 V744T428-L477 WeakPolarHBondContact OG1-CA 3.12Å; T430-L477 HydrophobicContact CG2-CD1 4.04Å; Q472-L477 HydrophobicContact CB-CB 4.48Å; Q472-L477 HydrophobicContact CB-CD1 3.83Å; Q472-L477 HydrophobicContact CG-CD1 3.7Å; Q472-L477 PolarHBondContact O-N 3.26Å; L477-L480 HydrophobicContact CB-CD2 4.07Å; L477-K546 WeakPolarHBondContact O-CD 3.37Å; L477-K546 WeakPolarHBondContact O-CE 3.2Å; L477-K546 PolarHBondContact O-NZ 2.87Å; L477-M743 HydrophobicContact CD2-CE 3.89Å; L477-V744 HydrophobicContact CD2-CG2 3.74Å; L477-V744 HydrophobicContact CG-CG2 4.11Å
478D98.7Very high97.4Very high24 Ų2428.5 Ų28.513%0.12814%0.144CC..SBendtrans-90.7-42-174.9-52.9-74.9000112.5L423 P424 T428 R751L423-D478 HydrophobicContact CD2-CB 4.46Å; P424-D478 VanDerWaalsContact CG-OD1 3.28Å; P424-D478 WeakPolarHBondContact CG-OD1 3.13Å; T428-D478 WeakPolarHBondContact CB-OD2 3.44Å; T428-D478 PolarHBondContact N-OD2 2.73Å; T428-D478 PolarHBondContact O-N 3.03Å; T428-D478 VanDerWaalsContact O-N 3.08Å; T428-D478 PolarHBondContact OG1-N 3.14Å; T428-D478 PolarHBondContact OG1-OD2 3.17Å; D478-R751 IonicContact OD1-NH1 2.83Å; D478-R751 IonicContact OD1-NH2 3.22Å; D478-R751 IonicContact OD2-CZ 2.65Å; D478-R751 IonicContact OD2-NH1 3.66Å; D478-R751 IonicContact OD2-NH2 3.59Å; D478-R751 PolarHBondContact OD2-NH2 3.36Å
479V98.9Very high97Very high0 Ų030 Ų300%015%0.151CC..BIsolated β-bridgetrans-119.6123.7174.7179.70000109.7L423 T428 T429 P547 K549 I595 W721L423-V479 HydrophobicContact CD1-CG2 3.92Å; L423-V479 HydrophobicContact CD2-CG2 3.78Å; T428-V479 PolarHBondContact O-N 3.31Å; T428-V479 VanDerWaalsContact O-N 3.09Å; T429-V479 WeakPolarHBondContact CA-O 3.44Å; T429-V479 WeakPolarHBondContact CB-O 3.31Å; T429-V479 PolarHBondContact OG1-O 3.2Å; V479-P547 HydrophobicContact CB-CG 4.5Å; V479-P547 HydrophobicContact CG1-CG 4.49Å; V479-P547 HydrophobicContact CG2-CG 3.98Å; V479-K549 HydrophobicContact CG1-CD 4.28Å; V479-K549 HydrophobicContact CG1-CG 3.74Å; V479-I595 HydrophobicContact CG1-CD1 3.78Å; V479-I595 HydrophobicContact CG2-CD1 4.01Å; V479-W721 HydrophobicContact CB-CZ3 4.2Å; V479-W721 HydrophobicContact CG2-CH2 3.85Å; V479-W721 HydrophobicContact CG2-CZ3 3.7Å
480L98.8Very high96.7Very high0 Ų031.8 Ų31.80%016%0.16CC..BIsolated β-bridgetrans-98.9161.4-169.1-55.6173.6000112.1I469 Q472 E473 L477 T544 K546 P547 V548 K549I469-L480 HydrophobicContact CD1-CB 4.25Å; I469-L480 HydrophobicContact CD1-CD1 4.42Å; I469-L480 HydrophobicContact CG2-CD1 4.49Å; Q472-L480 HydrophobicContact CB-CD2 3.31Å; Q472-L480 HydrophobicContact CG-CD2 4.22Å; E473-L480 HydrophobicContact CG-CD1 4.4Å; L477-L480 HydrophobicContact CB-CD2 4.07Å; L480-T544 HydrophobicContact CD1-CG2 3.58Å; L480-K546 HydrophobicContact CD1-CB 3.71Å; L480-K546 HydrophobicContact CD1-CD 4.19Å; L480-K546 HydrophobicContact CG-CB 4.13Å; L480-K546 HydrophobicContact CG-CD 4.36Å; L480-P547 PolarHBondContact N-O 3.47Å; L480-V548 HydrophobicContact CB-CG2 4.17Å; L480-V548 CarbonylContact O-C 3.3Å; L480-V548 WeakPolarHBondContact O-CA 3.29Å; L480-K549 PolarHBondContact O-N 3.24Å
481V98.8Very high96.5Very high0 Ų027.5 Ų27.50%013%0.134CC..  trans-128.1155.8171-59.90000110T430 G432 F434 Q472 G483 K549T430-V481 WeakPolarHBondContact OG1-CG2 3.38Å; G432-V481 WeakPolarHBondContact O-CG2 3.44Å; F434-V481 HydrophobicContact CD2-CG2 3.99Å; F434-V481 HydrophobicContact CE2-CG2 3.52Å; F434-V481 HydrophobicContact CZ-CG2 4.47Å; Q472-V481 PolarHBondContact NE2-O 2.85Å; Q472-V481 PolarHBondContact OE1-O 3.38Å; V481-G483 VanDerWaalsContact C-N 3.32Å; V481-K549 HydrophobicContact CG1-CB 4.24Å; V481-K549 HydrophobicContact CG1-CD 3.94Å; V481-K549 HydrophobicContact CG1-CG 4.32Å
482H98.6Very high96.2Very high4 Ų426.6 Ų26.62%0.01913%0.129CC..  trans-82.3-10.1179.874-64.6000113.8I465 E484 E486 A540I465-H482 HydrophobicContact CG1-CB 4.39Å; I465-H482 HydrophobicContact CG2-CB 4.01Å; H482-E484 WeakPolarHBondContact NE2-CA 3.46Å; H482-E484 PolarHBondContact NE2-N 3.21Å; H482-E486 IonicContact CD2-OE1 2.78Å; H482-E486 IonicContact CD2-OE2 3.8Å; H482-E486 PolarHBondContact CD2-OE2 2.86Å; H482-E486 IonicContact CE1-OE1 3.2Å; H482-E486 IonicContact NE2-OE1 2.86Å; H482-E486 PolarHBondContact NE2-OE1 2.88Å; H482-E486 IonicContact NE2-OE2 3.34Å; H482-E486 PolarHBondContact NE2-OE2 2.76Å; H482-A540 HydrophobicContact CB-CB 3.55Å
483G97.9Very high96Very high6 Ų627.3 Ų27.36%0.06213%0.132CC..BIsolated β-bridgetrans88.4-2.317500000116.2G432 F434 V481 A485G432-G483 WeakPolarHBondContact O-CA 3.41Å; F434-G483 PolarHBondContact N-O 3.49Å; V481-G483 VanDerWaalsContact C-N 3.32Å; G483-A485 VanDerWaalsContact C-N 3.26Å; G483-A485 PolarHBondContact O-N 2.8Å
484E97.9Very high96Very high26 Ų2624.2 Ų24.212%0.12112%0.118CC..  trans55.434.6173.1-58.3177.7-11600114.5G432 S433 H482 E486 R487G432-E484 VanDerWaalsContact CA-OE1 3.29Å; G432-E484 WeakPolarHBondContact CA-OE1 3.46Å; S433-E484 PolarHBondContact N-OE1 3.13Å; H482-E484 WeakPolarHBondContact NE2-CA 3.46Å; H482-E484 PolarHBondContact NE2-N 3.21Å; E484-E486 VanDerWaalsContact C-OE2 3.26Å; E484-E486 WeakPolarHBondContact CA-OE2 3.39Å; E484-E486 PolarHBondContact O-N 3.07Å; E484-R487 HydrophobicContact CB-CB 4.24Å; E484-R487 HydrophobicContact CB-CG 4.09Å; E484-R487 PolarHBondContact O-N 2.68Å; E484-R487 WeakPolarHBondContact OE2-CD 3.45Å; E484-R487 IonicContact OE2-NH1 2.77Å
485A96.6Very high95.9Very high7 Ų714.5 Ų14.56%0.0588%0.082CC..THydrogen-bonded Turntrans-59.1-30.5-178.900000112.5I440 R444 I461 H464 G483 R487I440-A485 HydrophobicContact CD1-CB 4.12Å; I440-A485 HydrophobicContact CG1-CB 4.5Å; I440-A485 HydrophobicContact CG2-CB 4.38Å; I440-A485 VanDerWaalsContact CG2-O 3.24Å; I440-A485 WeakPolarHBondContact CG2-O 3.37Å; R444-A485 WeakPolarHBondContact CD-O 3.32Å; R444-A485 PolarHBondContact NH1-O 3.04Å; I461-A485 HydrophobicContact CD1-CB 4.33Å; I461-A485 HydrophobicContact CG2-CB 4.43Å; H464-A485 HydrophobicContact CB-CB 3.81Å; G483-A485 VanDerWaalsContact C-N 3.26Å; G483-A485 PolarHBondContact O-N 2.8Å; A485-R487 VanDerWaalsContact C-N 3.31Å; A485-R487 PolarHBondContact O-N 2.73Å
486E95.9Very high95.7Very high6 Ų617.1 Ų17.13%0.0289%0.093CC..THydrogen-bonded Turntrans-69.9-23.7176.277.6-74.9-179.300113.2R444 I461 H482 E484 Y493 W536R444-E486 WeakPolarHBondContact CD-O 3.46Å; I461-E486 HydrophobicContact CG2-CB 3.94Å; H482-E486 IonicContact CD2-OE1 2.78Å; H482-E486 IonicContact CD2-OE2 3.8Å; H482-E486 PolarHBondContact CD2-OE2 2.86Å; H482-E486 IonicContact CE1-OE1 3.2Å; H482-E486 IonicContact NE2-OE1 2.86Å; H482-E486 PolarHBondContact NE2-OE1 2.88Å; H482-E486 IonicContact NE2-OE2 3.34Å; H482-E486 PolarHBondContact NE2-OE2 2.76Å; E484-E486 VanDerWaalsContact C-OE2 3.26Å; E484-E486 WeakPolarHBondContact CA-OE2 3.39Å; E484-E486 PolarHBondContact O-N 3.07Å; E486-Y493 HydrophobicContact CB-CE2 4.42Å; E486-Y493 HydrophobicContact CG-CE2 3.7Å; E486-W536 HydrophobicContact CB-CZ2 4.37Å; E486-W536 HydrophobicContact CG-CG 4.26Å
487R93Very high95.7Very high10 Ų1019.4 Ų19.44%0.03810%0.097CC..  trans-98.3115.9-165.7-50.4-171.1-172.2-172.6-6.7112.8R444 E484 A485 D489 Y493 M551R444-R487 PolarHBondContact NH1-O 2.65Å; E484-R487 HydrophobicContact CB-CB 4.24Å; E484-R487 HydrophobicContact CB-CG 4.09Å; E484-R487 PolarHBondContact O-N 2.68Å; E484-R487 WeakPolarHBondContact OE2-CD 3.45Å; E484-R487 IonicContact OE2-NH1 2.77Å; A485-R487 VanDerWaalsContact C-N 3.31Å; A485-R487 PolarHBondContact O-N 2.73Å; R487-D489 VanDerWaalsContact C-N 3.34Å; R487-Y493 HydrophobicContact CB-CD2 4.22Å; R487-Y493 HydrophobicContact CB-CG 4.09Å; R487-Y493 HydrophobicContact CG-CD1 3.87Å; R487-Y493 HydrophobicContact CG-CD2 3.89Å; R487-Y493 HydrophobicContact CG-CE1 4.21Å; R487-Y493 HydrophobicContact CG-CE2 4.22Å; R487-Y493 HydrophobicContact CG-CG 3.71Å; R487-M551 VanDerWaalsContact CZ-O 3.23Å; R487-M551 PolarHBondContact NH1-O 2.74Å; R487-M551 PolarHBondContact NH2-O 3.39Å
488N86.3Confident95.7Very high70 Ų7019.8 Ų19.837%0.37410%0.099SC..SBendtrans-69.9-36.9176.1-178.451.8000111.8E492 K729N488-E492 PolarHBondContact ND2-OE2 3.37Å; N488-K729 WeakPolarHBondContact O-CE 3.42Å; N488-K729 PolarHBondContact O-NZ 3.25Å
489D89.4Confident95.7Very high34 Ų3422.2 Ų22.218%0.18211%0.112CC..  trans-156.6148.7-178.6176.5-95.7000108.3R487 V491 E492 Y493R487-D489 VanDerWaalsContact C-N 3.34Å; D489-V491 PolarHBondContact O-N 2.78Å; D489-V491 PolarHBondContact OD1-N 3.42Å; D489-E492 HydrophobicContact CB-CB 3.78Å; D489-E492 PolarHBondContact OD1-N 3.09Å; D489-Y493 VanDerWaalsContact O-CB 3.23Å; D489-Y493 WeakPolarHBondContact O-CB 3.46Å; D489-Y493 PolarHBondContact O-N 3Å
490M92.1Very high95.6Very high40 Ų4023 Ų2320%0.19712%0.12CC..THydrogen-bonded Turntrans-73.6-12.4-173.171.3-171.2-79.600113.4F494 T553 T557 W561 D599 P601M490-F494 WeakPolarHBondContact O-CD2 3.49Å; M490-T553 HydrophobicContact CE-CG2 3.76Å; M490-T553 HydrophobicContact CG-CG2 4.49Å; M490-T553 WeakPolarHBondContact O-CB 2.95Å; M490-T553 PolarHBondContact O-OG1 3Å; M490-T557 HydrophobicContact CE-CG2 4.41Å; M490-W561 HydrophobicContact CE-CZ3 4.33Å; M490-W561 HydrophobicContact CG-CE3 4.31Å; M490-W561 HydrophobicContact CG-CZ3 3.87Å; M490-W561 HydrophobicContact SD-CE3 4.46Å; M490-W561 HydrophobicContact SD-CH2 4.18Å; M490-W561 HydrophobicContact SD-CZ3 3.5Å; M490-W561 VanDerWaalsContact SD-CZ3 3.5Å; M490-D599 HydrophobicContact CE-CB 3.74Å; M490-P601 HydrophobicContact CE-CG 4.08Å
491V94.8Very high95.6Very high0 Ų023.9 Ų23.90%012%0.124CC..THydrogen-bonded Turntrans-109-39.1173.71790000110.5D489 Y493 F494 G495 P520 T553 T557 I558 W561 S562D489-V491 PolarHBondContact O-N 2.78Å; D489-V491 PolarHBondContact OD1-N 3.42Å; V491-Y493 VanDerWaalsContact C-N 3.28Å; V491-Y493 PolarHBondContact O-N 2.99Å; V491-F494 PolarHBondContact O-N 3.08Å; V491-G495 PolarHBondContact O-N 3.26Å; V491-P520 HydrophobicContact CG1-CG 3.99Å; V491-T553 HydrophobicContact CG2-CG2 4.03Å; V491-T557 HydrophobicContact CG2-CG2 4.17Å; V491-I558 HydrophobicContact CG1-CB 4.47Å; V491-I558 HydrophobicContact CG1-CG2 4.32Å; V491-W561 HydrophobicContact CB-CB 4.48Å; V491-W561 HydrophobicContact CG1-CB 4.48Å; V491-W561 HydrophobicContact CG2-CB 3.97Å; V491-W561 HydrophobicContact CG2-CE3 3.84Å; V491-S562 WeakPolarHBondContact CG1-OG 3.07Å
492E92.3Very high95.5Very high7 Ų724.7 Ų24.73%0.03313%0.129CC..Hα-helixtrans-56.9-42.9174.6-162.1177.6-175.700111.4K448 N488 D489 F494 G495 E496 F503 K518 P520K448-E492 IonicContact NZ-OE1 2.72Å; N488-E492 PolarHBondContact ND2-OE2 3.37Å; D489-E492 HydrophobicContact CB-CB 3.78Å; D489-E492 PolarHBondContact OD1-N 3.09Å; E492-F494 PolarHBondContact O-N 2.83Å; E492-G495 PolarHBondContact O-N 2.8Å; E492-E496 HydrophobicContact CG-CG 4.49Å; E492-E496 WeakPolarHBondContact O-CB 3.48Å; E492-E496 WeakPolarHBondContact O-CG 3.47Å; E492-E496 PolarHBondContact O-N 2.77Å; E492-F503 HydrophobicContact CB-CE1 4.45Å; E492-F503 HydrophobicContact CG-CD1 3.7Å; E492-F503 HydrophobicContact CG-CE1 3.71Å; E492-K518 VanDerWaalsContact OE1-CE 3.25Å; E492-K518 WeakPolarHBondContact OE1-CE 3.33Å; E492-K518 IonicContact OE1-NZ 3.87Å; E492-K518 PolarHBondContact OE1-NZ 2.85Å; E492-P520 HydrophobicContact CB-CG 4.49Å
493Y95Very high95.3Very high16 Ų1626.6 Ų26.66%0.06314%0.137CC..Hα-helixtrans-62.1-44.2-178.5-176.5-100.5000112.8E486 R487 D489 V491 H497 I532 T533E486-Y493 HydrophobicContact CB-CE2 4.42Å; E486-Y493 HydrophobicContact CG-CE2 3.7Å; R487-Y493 HydrophobicContact CB-CD2 4.22Å; R487-Y493 HydrophobicContact CB-CG 4.09Å; R487-Y493 HydrophobicContact CG-CD1 3.87Å; R487-Y493 HydrophobicContact CG-CD2 3.89Å; R487-Y493 HydrophobicContact CG-CE1 4.21Å; R487-Y493 HydrophobicContact CG-CE2 4.22Å; R487-Y493 HydrophobicContact CG-CG 3.71Å; D489-Y493 VanDerWaalsContact O-CB 3.23Å; D489-Y493 WeakPolarHBondContact O-CB 3.46Å; D489-Y493 PolarHBondContact O-N 3Å; V491-Y493 VanDerWaalsContact C-N 3.28Å; V491-Y493 PolarHBondContact O-N 2.99Å; Y493-H497 AromaticContact CE2-CE1 3.71Å; Y493-H497 AromaticContact CZ-CE1 3.85Å; Y493-H497 PolarHBondContact O-ND1 3.37Å; Y493-I532 HydrophobicContact CD1-CG2 4.16Å; Y493-I532 HydrophobicContact CE1-CG2 3.62Å; Y493-I532 PolarHBondContact OH-O 3.31Å; Y493-T533 HydrophobicContact CE1-CG2 4.11Å
494F97.5Very high95.2Very high0 Ų026.7 Ų26.70%014%0.136CC..Hα-helixtrans-69.9-45.8178.1-75.3-86.3000111.3M490 V491 E492 E496 H497 L498 I532 T533 L552 T553 I558 L581M490-F494 WeakPolarHBondContact O-CD2 3.49Å; V491-F494 PolarHBondContact O-N 3.08Å; E492-F494 PolarHBondContact O-N 2.83Å; F494-E496 PolarHBondContact O-N 2.59Å; F494-H497 CarbonylContact O-C 3.56Å; F494-H497 WeakPolarHBondContact O-CA 3.29Å; F494-H497 PolarHBondContact O-N 3.41Å; F494-L498 HydrophobicContact CB-CD1 4.38Å; F494-L498 WeakPolarHBondContact O-CG 3.5Å; F494-L498 PolarHBondContact O-N 3.49Å; F494-L498 VanDerWaalsContact O-N 3.11Å; F494-I532 HydrophobicContact CD1-CD1 3.9Å; F494-I532 HydrophobicContact CD1-CG2 4.16Å; F494-I532 HydrophobicContact CE1-CD1 4.42Å; F494-I532 HydrophobicContact CE1-CG2 4.18Å; F494-T533 HydrophobicContact CE1-CG2 3.94Å; F494-T533 HydrophobicContact CZ-CG2 3.87Å; F494-L552 HydrophobicContact CE1-CD2 3.67Å; F494-L552 HydrophobicContact CZ-CB 4.32Å; F494-L552 HydrophobicContact CZ-CD2 3.8Å; F494-T553 WeakPolarHBondContact CE2-OG1 3.33Å; F494-I558 HydrophobicContact CB-CD1 3.76Å; F494-I558 HydrophobicContact CG-CD1 4.02Å; F494-L581 HydrophobicContact CD1-CD2 3.91Å; F494-L581 HydrophobicContact CE1-CD2 4.14Å
495G96.3Very high94.9Very high1 Ų127.9 Ų27.91%0.0114%0.142CC..Hα-helixtrans-58.8-35.3178.300000112.3V491 E492 H497 L498 F501 F503V491-G495 PolarHBondContact O-N 3.26Å; E492-G495 PolarHBondContact O-N 2.8Å; G495-H497 PolarHBondContact O-N 2.74Å; G495-H497 VanDerWaalsContact O-N 3.14Å; G495-L498 PolarHBondContact O-N 2.98Å; G495-F501 WeakPolarHBondContact O-CB 3.42Å; G495-F503 WeakPolarHBondContact O-CE2 3.37Å; G495-F503 WeakPolarHBondContact O-CZ 3.24Å
496E94.9Very high94.7Very high85 Ų8530.1 Ų30.140%0.39715%0.153SC..THydrogen-bonded Turntrans-63.4-16.4177.8-79.9-178.4154.400112.3K448 E492 F494 F503K448-E496 IonicContact NZ-OE1 3.72Å; K448-E496 PolarHBondContact NZ-OE1 2.99Å; E492-E496 HydrophobicContact CG-CG 4.49Å; E492-E496 WeakPolarHBondContact O-CB 3.48Å; E492-E496 WeakPolarHBondContact O-CG 3.47Å; E492-E496 PolarHBondContact O-N 2.77Å; F494-E496 PolarHBondContact O-N 2.59Å; E496-F503 HydrophobicContact CB-CE2 4.37Å; E496-F503 HydrophobicContact CB-CZ 4.31Å; E496-F503 HydrophobicContact CG-CD1 4.12Å; E496-F503 HydrophobicContact CG-CD2 4.1Å; E496-F503 HydrophobicContact CG-CE1 3.85Å; E496-F503 HydrophobicContact CG-CE2 3.89Å; E496-F503 HydrophobicContact CG-CG 4.28Å; E496-F503 HydrophobicContact CG-CZ 3.83Å
497H97.2Very high94.7Very high71 Ų7129.8 Ų29.833%0.32915%0.151SC..THydrogen-bonded Turntrans-116.16.8179.6-59.982.1000113.6Y493 F494 G495 P529 I532Y493-H497 AromaticContact CE2-CE1 3.71Å; Y493-H497 AromaticContact CZ-CE1 3.85Å; Y493-H497 PolarHBondContact O-ND1 3.37Å; F494-H497 CarbonylContact O-C 3.56Å; F494-H497 WeakPolarHBondContact O-CA 3.29Å; F494-H497 PolarHBondContact O-N 3.41Å; G495-H497 PolarHBondContact O-N 2.74Å; G495-H497 VanDerWaalsContact O-N 3.14Å; H497-P529 WeakPolarHBondContact O-CD 3.27Å; H497-I532 HydrophobicContact CB-CB 4.33Å; H497-I532 HydrophobicContact CB-CD1 4.04Å; H497-I532 HydrophobicContact CB-CG1 3.79Å; H497-I532 HydrophobicContact CB-CG2 3.84Å
498L98.4Very high94.9Very high9 Ų931.6 Ų31.65%0.04716%0.158CC..SBendtrans-111.9136176.5-70.4173.2000109.7F494 G495 F501 V526 R528 I532 A580F494-L498 HydrophobicContact CB-CD1 4.38Å; F494-L498 WeakPolarHBondContact O-CG 3.5Å; F494-L498 PolarHBondContact O-N 3.49Å; F494-L498 VanDerWaalsContact O-N 3.11Å; G495-L498 PolarHBondContact O-N 2.98Å; L498-F501 HydrophobicContact CB-CD2 3.71Å; L498-F501 HydrophobicContact CB-CE2 4Å; L498-F501 HydrophobicContact CD1-CD2 4.46Å; L498-F501 HydrophobicContact CD1-CE2 3.95Å; L498-V526 HydrophobicContact CB-CG1 4.19Å; L498-V526 HydrophobicContact CD1-CG1 4.13Å; L498-V526 HydrophobicContact CD2-CG1 4.32Å; L498-V526 HydrophobicContact CG-CG1 4.45Å; L498-R528 HydrophobicContact CD2-CB 3.97Å; L498-R528 HydrophobicContact CD2-CG 4.35Å; L498-I532 HydrophobicContact CD2-CD1 4.2Å; L498-I532 HydrophobicContact CG-CD1 4.42Å; L498-A580 HydrophobicContact CD2-CB 3.78Å
499D98.1Very high95.4Very high75 Ų7528.9 Ų28.940%0.40114%0.144SC..THydrogen-bonded Turntrans-64.7156.7166.4-62.7-43.4000109.7F501 V526 S527D499-F501 VanDerWaalsContact C-N 3.3Å; D499-F501 PolarHBondContact O-N 3.31Å; D499-V526 WeakPolarHBondContact O-CA 3.4Å; D499-S527 WeakPolarHBondContact CB-OG 3.37Å; D499-S527 PolarHBondContact N-O 3.45Å; D499-S527 PolarHBondContact OD2-OG 3.27Å
500G97.7Very high95.7Very high15 Ų1527.4 Ų27.416%0.15514%0.136CC..THydrogen-bonded Turntrans82.71.4-179.300000114.6V522 I523 G524G500-V522 CarbonylContact O-C 3.58Å; G500-V522 WeakPolarHBondContact O-CA 3.37Å; G500-I523 WeakPolarHBondContact O-CG1 3.48Å; G500-I523 PolarHBondContact O-N 3.28Å; G500-G524 PolarHBondContact O-N 2.81Å
501F98.1Very high95.8Very high19 Ų1925.8 Ų25.88%0.08313%0.129CC..EExtended strand (participates in β ladder)trans-107.6150.5174.3-76.6-96.1000113.2G495 L498 D499 F503 P520 I521 V522 V526 I558 S562G495-F501 WeakPolarHBondContact O-CB 3.42Å; L498-F501 HydrophobicContact CB-CD2 3.71Å; L498-F501 HydrophobicContact CB-CE2 4Å; L498-F501 HydrophobicContact CD1-CD2 4.46Å; L498-F501 HydrophobicContact CD1-CE2 3.95Å; D499-F501 VanDerWaalsContact C-N 3.3Å; D499-F501 PolarHBondContact O-N 3.31Å; F501-F503 HydrophobicContact CB-CE2 4.07Å; F501-F503 HydrophobicContact CB-CZ 4.1Å; F501-P520 HydrophobicContact CD1-CB 3.69Å; F501-P520 HydrophobicContact CE1-CB 4.14Å; F501-I521 CarbonylContact C-O 3.56Å; F501-I521 WeakPolarHBondContact CA-O 3.21Å; F501-V522 HydrophobicContact CD1-CG2 4.19Å; F501-V522 HydrophobicContact CE1-CG2 3.52Å; F501-V522 HydrophobicContact CE2-CG2 4.47Å; F501-V522 HydrophobicContact CZ-CG2 3.68Å; F501-V526 HydrophobicContact CD2-CG1 4.49Å; F501-V526 HydrophobicContact CD2-CG2 4.31Å; F501-V526 HydrophobicContact CE2-CB 4.46Å; F501-V526 HydrophobicContact CE2-CG1 3.87Å; F501-V526 HydrophobicContact CE2-CG2 3.69Å; F501-V526 HydrophobicContact CZ-CG2 4.47Å; F501-I558 HydrophobicContact CE1-CG2 4.17Å; F501-I558 HydrophobicContact CZ-CG2 3.63Å; F501-S562 WeakPolarHBondContact CE1-OG 2.98Å
502V97.2Very high95.7Very high17 Ų1727.4 Ų27.410%0.10314%0.135CC..EExtended strand (participates in β ladder)trans-134.3162.1164.3-61.30000111.5L338 V342 F346 I521 I523L338-V502 HydrophobicContact CD2-CB 4.19Å; L338-V502 HydrophobicContact CD2-CG2 4.21Å; V342-V502 HydrophobicContact CG1-CG1 4.25Å; V342-V502 HydrophobicContact CG1-CG2 4.04Å; F346-V502 HydrophobicContact CE2-CG2 4.18Å; F346-V502 HydrophobicContact CZ-CG2 4Å; V502-I521 HydrophobicContact CG2-CB 3.86Å; V502-I521 HydrophobicContact CG2-CD1 4.33Å; V502-I521 PolarHBondContact N-O 3.35Å; V502-I521 PolarHBondContact O-N 3.14Å; V502-I523 HydrophobicContact CG1-CD1 3.49Å; V502-I523 VanDerWaalsContact CG1-CD1 3.49Å; V502-I523 HydrophobicContact CG1-CG1 3.93Å; V502-I523 HydrophobicContact CG1-CG2 4.27Å; V502-I523 HydrophobicContact CG2-CG2 3.55Å
503F95.4Very high95.7Very high45 Ų4527.1 Ų27.120%0.19713%0.134CC..  trans-126.7138.4-172.7-62.3-86.6000111.5E492 G495 E496 F501 P520E492-F503 HydrophobicContact CB-CE1 4.45Å; E492-F503 HydrophobicContact CG-CD1 3.7Å; E492-F503 HydrophobicContact CG-CE1 3.71Å; G495-F503 WeakPolarHBondContact O-CE2 3.37Å; G495-F503 WeakPolarHBondContact O-CZ 3.24Å; E496-F503 HydrophobicContact CB-CE2 4.37Å; E496-F503 HydrophobicContact CB-CZ 4.31Å; E496-F503 HydrophobicContact CG-CD1 4.12Å; E496-F503 HydrophobicContact CG-CD2 4.1Å; E496-F503 HydrophobicContact CG-CE1 3.85Å; E496-F503 HydrophobicContact CG-CE2 3.89Å; E496-F503 HydrophobicContact CG-CG 4.28Å; E496-F503 HydrophobicContact CG-CZ 3.83Å; F501-F503 HydrophobicContact CB-CE2 4.07Å; F501-F503 HydrophobicContact CB-CZ 4.1Å; F503-P520 HydrophobicContact CD1-CB 4.31Å; F503-P520 HydrophobicContact CD1-CG 4.38Å; F503-P520 HydrophobicContact CE1-CB 3.63Å; F503-P520 HydrophobicContact CE1-CG 3.64Å; F503-P520 HydrophobicContact CZ-CB 4.03Å; F503-P520 HydrophobicContact CZ-CG 4.37Å
504T94.8Very high95.7Very high7 Ų726.9 Ų26.94%0.04314%0.135CC..  trans-90.8162.5172.362.90000110.7E335 F348 G507 K518 I521E335-T504 WeakPolarHBondContact OE2-CA 3.45Å; F348-T504 HydrophobicContact CZ-CG2 3.89Å; T504-G507 VanDerWaalsContact OG1-CA 3.26Å; T504-G507 WeakPolarHBondContact OG1-CA 3.25Å; T504-G507 PolarHBondContact OG1-N 3.35Å; T504-K518 VanDerWaalsContact O-CD 3.27Å; T504-K518 WeakPolarHBondContact O-CD 3.47Å; T504-K518 VanDerWaalsContact O-CE 3.27Å; T504-K518 WeakPolarHBondContact O-CE 3.46Å; T504-K518 PolarHBondContact O-NZ 2.68Å; T504-K518 VanDerWaalsContact OG1-CG 3.25Å; T504-K518 WeakPolarHBondContact OG1-CG 3.39Å; T504-I521 HydrophobicContact CG2-CD1 3.81Å
505Q91.3Very high95.3Very high52 Ų5230.6 Ų30.624%0.24315%0.149CC..SBendtrans-93.5-42.4171-64.5173.6-83.300111E335 T336 R337E335-Q505 PolarHBondContact OE2-N 3.27Å; T336-Q505 PolarHBondContact OG1-OE1 2.91Å; T336-Q505 VanDerWaalsContact OG1-OE1 3.06Å; R337-Q505 HydrophobicContact CB-CG 4.16Å; R337-Q505 VanDerWaalsContact CD-CD 3.49Å; R337-Q505 VanDerWaalsContact CG-CD 3.41Å; R337-Q505 HydrophobicContact CG-CG 4.09Å; R337-Q505 VanDerWaalsContact NE-NE2 3.13Å
506N93.9Very high95.1Very high53 Ų5331 Ų3128%0.28315%0.152SC..SBendtrans-124.811.5-172.5-55.6-65.3000112.8V334 E335 W508V334-N506 HydrophobicContact CG2-CB 3.99Å; V334-N506 PolarHBondContact O-ND2 3Å; E335-N506 VanDerWaalsContact OE1-C 3.25Å; E335-N506 WeakPolarHBondContact OE1-CA 3.44Å; E335-N506 WeakPolarHBondContact OE1-CB 3.13Å; E335-N506 PolarHBondContact OE1-N 2.93Å; N506-W508 PolarHBondContact O-N 3.27Å
507G96Very high95Very high0 Ų028.1 Ų28.10%014%0.14CC..  trans-71.850.2178.400000114.4E335 T504E335-G507 PolarHBondContact OE1-N 3.43Å; E335-G507 VanDerWaalsContact OE1-N 3.1Å; T504-G507 VanDerWaalsContact OG1-CA 3.26Å; T504-G507 WeakPolarHBondContact OG1-CA 3.25Å; T504-G507 PolarHBondContact OG1-N 3.35Å
508W96Very high94.7Very high48 Ų4826.1 Ų26.118%0.18213%0.13CC..  trans-78.9137.7-177-6598.3000112.1R17 N506 C516 V517 K518R17-W508 HydrophobicContact CG-CB 4.2Å; R17-W508 HydrophobicContact CG-CD2 4.45Å; R17-W508 HydrophobicContact CG-CG 4.02Å; R17-W508 VanDerWaalsContact CZ-CE2 3.45Å; R17-W508 VanDerWaalsContact CZ-CZ2 3.41Å; R17-W508 VanDerWaalsContact NH1-CH2 3.25Å; N506-W508 PolarHBondContact O-N 3.27Å; W508-C516 HydrophobicContact CB-CB 4.26Å; W508-C516 HydrophobicContact CD2-CB 4.4Å; W508-C516 HydrophobicContact CE3-CB 3.68Å; W508-C516 HydrophobicContact CZ3-CB 4.47Å; W508-V517 CarbonylContact C-O 3.29Å; W508-V517 WeakPolarHBondContact CA-O 3.42Å; W508-K518 HydrophobicContact CD2-CB 4.09Å; W508-K518 HydrophobicContact CE3-CB 3.81Å; W508-K518 HydrophobicContact CH2-CB 4.21Å; W508-K518 HydrophobicContact CZ2-CB 4.48Å; W508-K518 HydrophobicContact CZ2-CD 4.35Å; W508-K518 HydrophobicContact CZ3-CB 3.88Å
509V97.1Very high94.6Very high12 Ų1226.4 Ų26.47%0.07313%0.132CC..EExtended strand (participates in β ladder)trans-127.9141.3173.8-176.50000108.9P329 C516 V517 F563P329-V509 HydrophobicContact CG-CG2 4.04Å; V509-C516 CarbonylContact O-C 3.49Å; V509-C516 WeakPolarHBondContact O-CA 3.49Å; V509-C516 WeakPolarHBondContact O-CB 3.3Å; V509-V517 HydrophobicContact CB-CG2 4.46Å; V509-V517 PolarHBondContact N-O 2.94Å; V509-V517 PolarHBondContact O-N 2.88Å; V509-F563 HydrophobicContact CG2-CE2 4.36Å; V509-F563 HydrophobicContact CG2-CZ 3.87Å
510Q96.7Very high94.5Very high4 Ų422.9 Ų22.92%0.01911%0.113CC..EExtended strand (participates in β ladder)trans-72.8130.5177-170.9170.41100110.7R12 V13 Y123 L326 G513R12-Q510 VanDerWaalsContact CZ-OE1 3.3Å; V13-Q510 HydrophobicContact CG1-CB 3.89Å; V13-Q510 HydrophobicContact CG1-CG 4.15Å; Y123-Q510 HydrophobicContact CD2-CG 4.39Å; Y123-Q510 HydrophobicContact CE2-CG 4.23Å; L326-Q510 HydrophobicContact CD1-CB 4.31Å; Q510-G513 PolarHBondContact NE2-O 3.38Å
511S92.5Very high94.6Very high6 Ų622.1 Ų22.14%0.04211%0.106CC..EExtended strand (participates in β ladder)trans-102.3-47.5172.8178.20000111.1N122 Y123 H124 R515N122-S511 WeakPolarHBondContact O-CA 3.26Å; N122-S511 PolarHBondContact O-OG 3.25Å; Y123-S511 CarbonylContact C-O 3.54Å; Y123-S511 VanDerWaalsContact CA-O 3.28Å; Y123-S511 WeakPolarHBondContact CA-O 3.44Å; H124-S511 PolarHBondContact CE1-OG 2.82Å; H124-S511 PolarHBondContact N-O 2.65Å; H124-S511 PolarHBondContact ND1-O 3.09Å; H124-S511 PolarHBondContact ND1-OG 3.07Å; S511-R515 PolarHBondContact N-O 2.67Å
512Y92.5Very high94.6Very high33 Ų3321.2 Ų21.213%0.12910%0.102CC..EExtended strand (participates in β ladder)trans-162.7149.3170.964.1-92.6000111M115 S514 R515M115-Y512 HydrophobicContact CE-CD1 3.75Å; M115-Y512 HydrophobicContact CE-CD2 3.71Å; M115-Y512 HydrophobicContact CE-CE1 4.18Å; M115-Y512 HydrophobicContact CE-CE2 4.17Å; M115-Y512 HydrophobicContact CE-CG 3.49Å; M115-Y512 VanDerWaalsContact CE-CG 3.49Å; M115-Y512 WeakPolarHBondContact SD-CB 3.42Å; M115-Y512 HydrophobicContact SD-CD1 4.46Å; M115-Y512 HydrophobicContact SD-CD2 3.71Å; M115-Y512 HydrophobicContact SD-CG 3.63Å; Y512-S514 PolarHBondContact O-N 3.16Å; Y512-R515 HydrophobicContact CD1-CB 4.35Å; Y512-R515 HydrophobicContact CD2-CB 4.41Å; Y512-R515 HydrophobicContact CE1-CB 4.11Å; Y512-R515 HydrophobicContact CE1-CG 4.29Å; Y512-R515 HydrophobicContact CE2-CB 4.15Å; Y512-R515 HydrophobicContact CG-CB 4.49Å; Y512-R515 VanDerWaalsContact CZ-CD 3.4Å; Y512-R515 PolarHBondContact N-O 2.93Å; Y512-R515 WeakPolarHBondContact O-CA 3.38Å; Y512-R515 WeakPolarHBondContact O-CB 3.44Å; Y512-R515 PolarHBondContact O-N 2.95Å; Y512-R515 VanDerWaalsContact OH-CD 3.25Å; Y512-R515 WeakPolarHBondContact OH-CD 3.28Å; Y512-R515 PolarHBondContact OH-NH1 3.02Å
513G93.5Very high94.6Very high1 Ų120.8 Ų20.81%0.0110%0.099CC..THydrogen-bonded Turntrans49.1-124.4177.100000112.4Y67 Q510Y67-G513 VanDerWaalsContact CE2-CA 3.45Å; Y67-G513 VanDerWaalsContact CZ-CA 3.46Å; Q510-G513 PolarHBondContact NE2-O 3.38Å
514S93.8Very high94.8Very high12 Ų1218.6 Ų18.68%0.0849%0.09CC..THydrogen-bonded Turntrans-89.5-3.6173.474.10000114.2K20 E24 W27 Y512 C516K20-S514 VanDerWaalsContact CD-O 3.25Å; K20-S514 WeakPolarHBondContact CD-O 3.4Å; K20-S514 VanDerWaalsContact CG-O 3.28Å; K20-S514 WeakPolarHBondContact CG-O 3.43Å; K20-S514 PolarHBondContact NZ-O 3.41Å; E24-S514 PolarHBondContact OE1-OG 3.31Å; W27-S514 WeakPolarHBondContact CZ3-OG 3.41Å; Y512-S514 PolarHBondContact O-N 3.16Å; S514-C516 PolarHBondContact O-N 3.04Å
515R90.5Very high94.9Very high77 Ų7718.8 Ų18.829%0.2919%0.09SC..EExtended strand (participates in β ladder)trans-80.3122.1-177.7-169.1-179.4177-175.7-8.4109.8S511 Y512S511-R515 PolarHBondContact N-O 2.67Å; Y512-R515 HydrophobicContact CD1-CB 4.35Å; Y512-R515 HydrophobicContact CD2-CB 4.41Å; Y512-R515 HydrophobicContact CE1-CB 4.11Å; Y512-R515 HydrophobicContact CE1-CG 4.29Å; Y512-R515 HydrophobicContact CE2-CB 4.15Å; Y512-R515 HydrophobicContact CG-CB 4.49Å; Y512-R515 VanDerWaalsContact CZ-CD 3.4Å; Y512-R515 PolarHBondContact N-O 2.93Å; Y512-R515 WeakPolarHBondContact O-CA 3.38Å; Y512-R515 WeakPolarHBondContact O-CB 3.44Å; Y512-R515 PolarHBondContact O-N 2.95Å; Y512-R515 VanDerWaalsContact OH-CD 3.25Å; Y512-R515 WeakPolarHBondContact OH-CD 3.28Å; Y512-R515 PolarHBondContact OH-NH1 3.02Å
516C91.9Very high95.3Very high11 Ų1116.5 Ų16.57%0.0748%0.08CC..EExtended strand (participates in β ladder)trans-108.5148.1170.2-52.70000109.8W508 V509 S514W508-C516 HydrophobicContact CB-CB 4.26Å; W508-C516 HydrophobicContact CD2-CB 4.4Å; W508-C516 HydrophobicContact CE3-CB 3.68Å; W508-C516 HydrophobicContact CZ3-CB 4.47Å; V509-C516 CarbonylContact O-C 3.49Å; V509-C516 WeakPolarHBondContact O-CA 3.49Å; V509-C516 WeakPolarHBondContact O-CB 3.3Å; S514-C516 PolarHBondContact O-N 3.04Å
517V91.6Very high95.5Very high24 Ų2415.2 Ų15.215%0.1458%0.075CC..EExtended strand (participates in β ladder)trans-108161.9167-66.50000108.9W508 V509 P519W508-V517 CarbonylContact C-O 3.29Å; W508-V517 WeakPolarHBondContact CA-O 3.42Å; V509-V517 HydrophobicContact CB-CG2 4.46Å; V509-V517 PolarHBondContact N-O 2.94Å; V509-V517 PolarHBondContact O-N 2.88Å; V517-P519 HydrophobicContact CG2-CG 4.06Å
518K92.6Very high95.6Very high28 Ų2817.2 Ų17.212%0.1228%0.082CC..  trans-128.879.7175.3-171.7-168.865.7166.20107.1E492 T504 W508E492-K518 VanDerWaalsContact OE1-CE 3.25Å; E492-K518 WeakPolarHBondContact OE1-CE 3.33Å; E492-K518 IonicContact OE1-NZ 3.87Å; E492-K518 PolarHBondContact OE1-NZ 2.85Å; T504-K518 VanDerWaalsContact O-CD 3.27Å; T504-K518 WeakPolarHBondContact O-CD 3.47Å; T504-K518 VanDerWaalsContact O-CE 3.27Å; T504-K518 WeakPolarHBondContact O-CE 3.46Å; T504-K518 PolarHBondContact O-NZ 2.68Å; T504-K518 VanDerWaalsContact OG1-CG 3.25Å; T504-K518 WeakPolarHBondContact OG1-CG 3.39Å; W508-K518 HydrophobicContact CD2-CB 4.09Å; W508-K518 HydrophobicContact CE3-CB 3.81Å; W508-K518 HydrophobicContact CH2-CB 4.21Å; W508-K518 HydrophobicContact CZ2-CB 4.48Å; W508-K518 HydrophobicContact CZ2-CD 4.35Å; W508-K518 HydrophobicContact CZ3-CB 3.88Å
519P95.3Very high95.7Very high15 Ų1519.1 Ų19.110%0.09710%0.101CC..  trans-56.9137.9-171.2-25.936.5000111.2V517 W561 F563V517-P519 HydrophobicContact CG2-CG 4.06Å; P519-W561 WeakPolarHBondContact CB-O 3.49Å; P519-F563 HydrophobicContact CB-CD2 3.73Å; P519-F563 HydrophobicContact CB-CE2 3.78Å; P519-F563 HydrophobicContact CB-CG 4.44Å; P519-F563 HydrophobicContact CG-CD2 4.28Å; P519-F563 HydrophobicContact CG-CE2 3.81Å; P519-F563 HydrophobicContact CG-CZ 4.22Å
520P97Very high95.8Very high1 Ų121 Ų211%0.00612%0.118CC..  trans-62.5162.3165.1-22.738.1000110.5V491 E492 F501 F503 S562 F563V491-P520 HydrophobicContact CG1-CG 3.99Å; E492-P520 HydrophobicContact CB-CG 4.49Å; F501-P520 HydrophobicContact CD1-CB 3.69Å; F501-P520 HydrophobicContact CE1-CB 4.14Å; F503-P520 HydrophobicContact CD1-CB 4.31Å; F503-P520 HydrophobicContact CD1-CG 4.38Å; F503-P520 HydrophobicContact CE1-CB 3.63Å; F503-P520 HydrophobicContact CE1-CG 3.64Å; F503-P520 HydrophobicContact CZ-CB 4.03Å; F503-P520 HydrophobicContact CZ-CG 4.37Å; P520-S562 CarbonylContact O-C 3.47Å; P520-S562 VanDerWaalsContact O-CA 3.27Å; P520-S562 WeakPolarHBondContact O-CA 3.37Å; P520-S562 WeakPolarHBondContact O-CB 3.41Å; P520-F563 PolarHBondContact O-N 2.88Å
521I98.3Very high95.9Very high0 Ų024.4 Ų24.40%014%0.14CC..EExtended strand (participates in β ladder)trans-119.5123.2177.8-51.2166.6000108.6V296 W297 F346 F501 V502 T504 I523 F563V296-I521 HydrophobicContact CG2-CD1 3.86Å; V296-I521 HydrophobicContact CG2-CG1 4.03Å; V296-I521 HydrophobicContact CG2-CG2 3.96Å; W297-I521 HydrophobicContact CZ2-CG2 4.18Å; F346-I521 HydrophobicContact CD2-CD1 4.22Å; F346-I521 HydrophobicContact CE1-CD1 4.33Å; F346-I521 HydrophobicContact CE1-CG2 3.76Å; F346-I521 HydrophobicContact CE2-CD1 3.69Å; F346-I521 HydrophobicContact CZ-CB 4.29Å; F346-I521 HydrophobicContact CZ-CD1 3.76Å; F346-I521 HydrophobicContact CZ-CG2 3.72Å; F501-I521 CarbonylContact C-O 3.56Å; F501-I521 WeakPolarHBondContact CA-O 3.21Å; V502-I521 HydrophobicContact CG2-CB 3.86Å; V502-I521 HydrophobicContact CG2-CD1 4.33Å; V502-I521 PolarHBondContact N-O 3.35Å; V502-I521 PolarHBondContact O-N 3.14Å; T504-I521 HydrophobicContact CG2-CD1 3.81Å; I521-I523 HydrophobicContact CG2-CG2 4.05Å; I521-I523 PolarHBondContact O-N 3.1Å; I521-F563 HydrophobicContact CB-CB 4.4Å; I521-F563 HydrophobicContact CG1-CB 4.13Å; I521-F563 HydrophobicContact CG1-CD2 4.06Å; I521-F563 HydrophobicContact CG2-CB 4.16Å
522V98.5Very high96.1Very high0 Ų024.5 Ų24.50%014%0.14CC..EExtended strand (participates in β ladder)trans-80103.3174.1-173.60000108.1W297 G500 F501 V526 F563 R565 I573W297-V522 VanDerWaalsContact CZ2-O 3.31Å; W297-V522 WeakPolarHBondContact CZ2-O 3.16Å; G500-V522 CarbonylContact O-C 3.58Å; G500-V522 WeakPolarHBondContact O-CA 3.37Å; F501-V522 HydrophobicContact CD1-CG2 4.19Å; F501-V522 HydrophobicContact CE1-CG2 3.52Å; F501-V522 HydrophobicContact CE2-CG2 4.47Å; F501-V522 HydrophobicContact CZ-CG2 3.68Å; V522-V526 HydrophobicContact CG1-CG2 4.03Å; V522-F563 PolarHBondContact N-O 3.47Å; V522-R565 HydrophobicContact CG1-CG 4.2Å; V522-R565 WeakPolarHBondContact O-CB 3.49Å; V522-R565 PolarHBondContact O-N 3.4Å; V522-I573 HydrophobicContact CG1-CG2 4.05Å; V522-I573 HydrophobicContact CG2-CG2 4.39Å
523I98Very high96.4Very high7 Ų723 Ų234%0.03613%0.134CC..  trans-97.7-21.1179.862.5155.6000114W297 V342 W345 F346 G500 V502 I521 R565W297-I523 HydrophobicContact CH2-CB 4.43Å; W297-I523 HydrophobicContact CH2-CG2 4.1Å; V342-I523 HydrophobicContact CG1-CG2 4.35Å; V342-I523 HydrophobicContact CG2-CD1 3.77Å; W345-I523 HydrophobicContact CZ3-CB 4.25Å; W345-I523 HydrophobicContact CZ3-CD1 4.34Å; F346-I523 HydrophobicContact CE1-CG2 4.24Å; F346-I523 HydrophobicContact CZ-CG2 3.7Å; G500-I523 WeakPolarHBondContact O-CG1 3.48Å; G500-I523 PolarHBondContact O-N 3.28Å; V502-I523 HydrophobicContact CG1-CD1 3.49Å; V502-I523 VanDerWaalsContact CG1-CD1 3.49Å; V502-I523 HydrophobicContact CG1-CG1 3.93Å; V502-I523 HydrophobicContact CG1-CG2 4.27Å; V502-I523 HydrophobicContact CG2-CG2 3.55Å; I521-I523 HydrophobicContact CG2-CG2 4.05Å; I521-I523 PolarHBondContact O-N 3.1Å; I523-R565 PolarHBondContact O-NH2 3.07Å
524G98.1Very high96.7Very high0 Ų024.1 Ų24.10%014%0.141CC..SBendtrans-135.8170.5-162.700000112.2R386 G500 R565R386-G524 WeakPolarHBondContact O-CA 3.46Å; G500-G524 PolarHBondContact O-N 2.81Å; G524-R565 VanDerWaalsContact C-NH1 3.33Å; G524-R565 VanDerWaalsContact C-NH2 3.32Å; G524-R565 VanDerWaalsContact CA-CZ 3.49Å
525D98.6Very high96.8Very high11 Ų1127.7 Ų27.76%0.05916%0.157CC..  trans-62135.4160.6-71.9-24.8000110.3V387 H388 N389 V392 R565 Q576V387-D525 PolarHBondContact O-N 3.12Å; H388-D525 WeakPolarHBondContact CA-OD2 3.26Å; N389-D525 HydrophobicContact CB-CB 3.8Å; N389-D525 PolarHBondContact N-OD2 3.18Å; V392-D525 HydrophobicContact CB-CB 4.03Å; V392-D525 HydrophobicContact CG1-CB 4Å; V392-D525 HydrophobicContact CG2-CB 4.32Å; D525-R565 IonicContact OD1-NH1 3.86Å; D525-R565 PolarHBondContact OD1-NH1 2.7Å; D525-Q576 PolarHBondContact OD1-NE2 2.83Å
526V98.7Very high97.2Very high3 Ų325 Ų252%0.01815%0.147CC..  trans-92.5129.3-171-179.60000111.7L498 D499 F501 V522 Q576 I577L498-V526 HydrophobicContact CB-CG1 4.19Å; L498-V526 HydrophobicContact CD1-CG1 4.13Å; L498-V526 HydrophobicContact CD2-CG1 4.32Å; L498-V526 HydrophobicContact CG-CG1 4.45Å; D499-V526 WeakPolarHBondContact O-CA 3.4Å; F501-V526 HydrophobicContact CD2-CG1 4.49Å; F501-V526 HydrophobicContact CD2-CG2 4.31Å; F501-V526 HydrophobicContact CE2-CB 4.46Å; F501-V526 HydrophobicContact CE2-CG1 3.87Å; F501-V526 HydrophobicContact CE2-CG2 3.69Å; F501-V526 HydrophobicContact CZ-CG2 4.47Å; V522-V526 HydrophobicContact CG1-CG2 4.03Å; V526-Q576 HydrophobicContact CB-CB 3.93Å; V526-I577 HydrophobicContact CB-CG1 4.35Å; V526-I577 HydrophobicContact CG1-CG1 4.06Å; V526-I577 HydrophobicContact CG2-CG1 4.25Å
527S98.4Very high97.5Very high26 Ų2624.7 Ų24.718%0.18215%0.145CC..  trans-140.2157.8170.749.40000112.3D499 P529D499-S527 WeakPolarHBondContact CB-OG 3.37Å; D499-S527 PolarHBondContact N-O 3.45Å; D499-S527 PolarHBondContact OD2-OG 3.27Å; S527-P529 WeakPolarHBondContact O-CD 3.37Å
528R98.4Very high97.8Very high43 Ų4329.9 Ų29.916%0.16217%0.165CC..  trans-100.8108.1173.7-171.8-166.273.61384.8110.2L498 A530 P531 I532 A580 E584 D587L498-R528 HydrophobicContact CD2-CB 3.97Å; L498-R528 HydrophobicContact CD2-CG 4.35Å; R528-A530 WeakPolarHBondContact CD-O 3.4Å; R528-A530 WeakPolarHBondContact CG-O 3.49Å; R528-P531 VanDerWaalsContact NH1-CA 3.29Å; R528-I532 HydrophobicContact CG-CD1 4.11Å; R528-I532 HydrophobicContact CG-CG1 4.16Å; R528-A580 HydrophobicContact CB-CB 3.98Å; R528-E584 IonicContact CZ-OE2 3.06Å; R528-E584 IonicContact NH1-OE2 3.01Å; R528-E584 PolarHBondContact NH1-OE2 3.35Å; R528-D587 IonicContact CZ-OD2 2.73Å; R528-D587 IonicContact NH1-OD2 3.19Å; R528-D587 PolarHBondContact NH1-OD2 3.23Å; R528-D587 IonicContact NH2-OD2 2.79Å; R528-D587 PolarHBondContact NH2-OD2 3.5Å
529P97.9Very high98.1Very high87 Ų8731.5 Ų31.557%0.56517%0.171SC*.  trans-76.7-26.5179.429.3-35.2000113.9H497 S527H497-P529 WeakPolarHBondContact O-CD 3.27Å; S527-P529 WeakPolarHBondContact O-CD 3.37Å
530A98.2Very high98.3Very high53 Ų5330.8 Ų30.844%0.43817%0.166SC..SBendtrans-153.9161.4-178.600000112R528R528-A530 WeakPolarHBondContact CD-O 3.4Å; R528-A530 WeakPolarHBondContact CG-O 3.49Å
531P98.5Very high98.4Very high75 Ų7532.9 Ų32.949%0.48718%0.176SC..  trans-56.3138.9171.8-22.633000113.6R528 V534 E584R528-P531 VanDerWaalsContact NH1-CA 3.29Å; P531-V534 HydrophobicContact CB-CB 4.21Å; P531-V534 HydrophobicContact CB-CG2 3.89Å; P531-E584 WeakPolarHBondContact CA-OE2 3.46Å
532I98.4Very high98.4Very high8 Ų836.9 Ų36.94%0.04120%0.204CC..SBendtrans-102.4-43.6-167.9-54.2179.6000112Y493 F494 H497 L498 R528 E584Y493-I532 HydrophobicContact CD1-CG2 4.16Å; Y493-I532 HydrophobicContact CE1-CG2 3.62Å; Y493-I532 PolarHBondContact OH-O 3.31Å; F494-I532 HydrophobicContact CD1-CD1 3.9Å; F494-I532 HydrophobicContact CD1-CG2 4.16Å; F494-I532 HydrophobicContact CE1-CD1 4.42Å; F494-I532 HydrophobicContact CE1-CG2 4.18Å; H497-I532 HydrophobicContact CB-CB 4.33Å; H497-I532 HydrophobicContact CB-CD1 4.04Å; H497-I532 HydrophobicContact CB-CG1 3.79Å; H497-I532 HydrophobicContact CB-CG2 3.84Å; L498-I532 HydrophobicContact CD2-CD1 4.2Å; L498-I532 HydrophobicContact CG-CD1 4.42Å; R528-I532 HydrophobicContact CG-CD1 4.11Å; R528-I532 HydrophobicContact CG-CG1 4.16Å; I532-E584 PolarHBondContact N-OE1 2.78Å; I532-E584 VanDerWaalsContact N-OE1 3.14Å; I532-E584 PolarHBondContact N-OE2 3.18Å
533T98.3Very high98.4Very high1 Ų139.7 Ų39.71%0.00622%0.219CC..SBendtrans-123.2-17-165.967.80000113.3Y493 F494 E535 W536 A537 L552 E584Y493-T533 HydrophobicContact CE1-CG2 4.11Å; F494-T533 HydrophobicContact CE1-CG2 3.94Å; F494-T533 HydrophobicContact CZ-CG2 3.87Å; T533-E535 VanDerWaalsContact C-N 3.28Å; T533-E535 PolarHBondContact O-N 3.09Å; T533-W536 PolarHBondContact O-N 3.32Å; T533-A537 PolarHBondContact O-N 3.2Å; T533-A537 VanDerWaalsContact O-N 3.09Å; T533-L552 HydrophobicContact CG2-CD2 3.96Å; T533-E584 WeakPolarHBondContact CA-OE1 3.48Å; T533-E584 WeakPolarHBondContact CB-OE1 3.43Å; T533-E584 PolarHBondContact N-OE1 2.96Å; T533-E584 PolarHBondContact OG1-OE1 3.28Å
534V98.6Very high98.4Very high25 Ų2540.1 Ų40.115%0.15222%0.221CC..Hα-helixtrans-53.9-41.4-173.4178.80000112.9P531 W536 K538 E584 D587 L588 A591P531-V534 HydrophobicContact CB-CB 4.21Å; P531-V534 HydrophobicContact CB-CG2 3.89Å; V534-W536 PolarHBondContact O-N 3.45Å; V534-K538 WeakPolarHBondContact O-CB 3.48Å; V534-K538 PolarHBondContact O-N 2.77Å; V534-E584 PolarHBondContact N-OE1 3.44Å; V534-D587 HydrophobicContact CG2-CB 3.72Å; V534-L588 HydrophobicContact CG2-CD2 4.23Å; V534-L588 HydrophobicContact CG2-CG 4.25Å; V534-A591 HydrophobicContact CG1-CB 3.67Å
535E97.8Very high98.4Very high87 Ų8748.5 Ų48.541%0.40727%0.266SS..Hα-helixtrans-58.3-50.3-179.3-173.6-169.6141.100111.9R458 T533 Y539R458-E535 WeakPolarHBondContact CD-OE1 3.2Å; R458-E535 IonicContact CZ-OE1 3.98Å; R458-E535 IonicContact NE-OE1 2.63Å; R458-E535 PolarHBondContact NE-OE1 3.24Å; R458-E535 IonicContact NH1-OE1 2.72Å; R458-E535 IonicContact NH2-OE1 3.82Å; R458-E535 PolarHBondContact NH2-OE1 2.9Å; T533-E535 VanDerWaalsContact C-N 3.28Å; T533-E535 PolarHBondContact O-N 3.09Å; E535-Y539 PolarHBondContact O-N 3.3Å
536W98.2Very high98.4Very high21 Ų2150.6 Ų50.68%0.0828%0.275CS..Hα-helixtrans-70.1-42.7-177.1-59.9118.9000111.9R458 I461 A462 I465 E486 T533 V534 K538 Y539 A540R458-W536 HydrophobicContact CB-CH2 4.4Å; R458-W536 HydrophobicContact CG-CH2 3.93Å; R458-W536 HydrophobicContact CG-CZ3 4.39Å; I461-W536 HydrophobicContact CB-CH2 3.55Å; I461-W536 HydrophobicContact CB-CZ2 4.21Å; I461-W536 HydrophobicContact CB-CZ3 3.88Å; I461-W536 HydrophobicContact CG1-CH2 4.36Å; I461-W536 HydrophobicContact CG2-CD2 4.22Å; I461-W536 HydrophobicContact CG2-CE3 3.85Å; I461-W536 HydrophobicContact CG2-CH2 3.38Å; I461-W536 HydrophobicContact CG2-CZ2 3.8Å; I461-W536 HydrophobicContact CG2-CZ3 3.42Å; I461-W536 VanDerWaalsContact CG2-CZ3 3.42Å; A462-W536 HydrophobicContact CB-CZ3 4.45Å; I465-W536 HydrophobicContact CD1-CB 4.14Å; I465-W536 HydrophobicContact CD1-CD2 4Å; I465-W536 HydrophobicContact CD1-CE3 3.35Å; I465-W536 HydrophobicContact CD1-CG 4.36Å; I465-W536 HydrophobicContact CD1-CZ3 4.03Å; E486-W536 HydrophobicContact CB-CZ2 4.37Å; E486-W536 HydrophobicContact CG-CG 4.26Å; T533-W536 PolarHBondContact O-N 3.32Å; V534-W536 PolarHBondContact O-N 3.45Å; W536-K538 VanDerWaalsContact C-N 3.33Å; W536-K538 PolarHBondContact O-N 3.5Å; W536-Y539 PolarHBondContact O-N 2.91Å; W536-A540 WeakPolarHBondContact O-CB 3.26Å; W536-A540 PolarHBondContact O-N 2.9Å
537A98.4Very high98.4Very high4 Ų451.4 Ų51.43%0.03328%0.28CS..Hα-helixtrans-60.8-44.7177.100000111T533 Y539 A540 Q541 L588 I593T533-A537 PolarHBondContact O-N 3.2Å; T533-A537 VanDerWaalsContact O-N 3.09Å; A537-Y539 PolarHBondContact O-N 3.43Å; A537-A540 PolarHBondContact O-N 3.39Å; A537-Q541 WeakPolarHBondContact O-CB 3.23Å; A537-Q541 PolarHBondContact O-N 3.38Å; A537-L588 HydrophobicContact CB-CD2 3.57Å; A537-I593 HydrophobicContact CB-CD1 3.92Å; A537-I593 HydrophobicContact CB-CG1 3.95Å
538K98.4Very high98.4Very high132 Ų13250.2 Ų50.257%0.57427%0.272SS*.Hα-helixtrans-63.2-43177.3-173.7178.8-179.4175.80112.2V534 W536 S542V534-K538 WeakPolarHBondContact O-CB 3.48Å; V534-K538 PolarHBondContact O-N 2.77Å; W536-K538 VanDerWaalsContact C-N 3.33Å; W536-K538 PolarHBondContact O-N 3.5Å; K538-S542 PolarHBondContact O-N 3.42Å
539Y98.6Very high98.4Very high62 Ų6248.1 Ų48.124%0.24326%0.264CS..Hα-helixtrans-62.8-46.3175.9177.5-107.8000111.4A462 I465 R466 E535 W536 A537 Q541 S542 L543A462-Y539 HydrophobicContact CB-CD1 4.11Å; A462-Y539 HydrophobicContact CB-CE1 3.56Å; A462-Y539 WeakPolarHBondContact O-CE1 3.27Å; I465-Y539 HydrophobicContact CB-CD1 4.35Å; I465-Y539 HydrophobicContact CB-CE1 4.34Å; I465-Y539 HydrophobicContact CG2-CD1 3.94Å; I465-Y539 HydrophobicContact CG2-CE1 4.17Å; R466-Y539 PolarHBondContact NE-OH 3.16Å; R466-Y539 PolarHBondContact NH2-OH 3.17Å; E535-Y539 PolarHBondContact O-N 3.3Å; W536-Y539 PolarHBondContact O-N 2.91Å; A537-Y539 PolarHBondContact O-N 3.43Å; Y539-Q541 PolarHBondContact O-N 2.89Å; Y539-S542 PolarHBondContact O-N 3.24Å; Y539-S542 VanDerWaalsContact O-N 3.14Å; Y539-S542 PolarHBondContact O-OG 3.02Å; Y539-L543 HydrophobicContact CD1-CD1 4.24Å; Y539-L543 HydrophobicContact CE1-CD1 3.69Å; Y539-L543 HydrophobicContact CE2-CD2 4.46Å; Y539-L543 WeakPolarHBondContact O-CG 3.43Å
540A98.8Very high98.5Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-61.3-46.7179.200000111.7I465 I469 H482 W536 A537 S542 L543 V548I465-A540 HydrophobicContact CG2-CB 3.75Å; I469-A540 HydrophobicContact CD1-CB 4.37Å; H482-A540 HydrophobicContact CB-CB 3.55Å; W536-A540 WeakPolarHBondContact O-CB 3.26Å; W536-A540 PolarHBondContact O-N 2.9Å; A537-A540 PolarHBondContact O-N 3.39Å; A540-S542 PolarHBondContact O-N 3.44Å; A540-L543 WeakPolarHBondContact O-CB 3.45Å; A540-L543 PolarHBondContact O-N 3.39Å; A540-L543 VanDerWaalsContact O-N 3.14Å; A540-V548 HydrophobicContact CB-CG1 3.92Å
541Q98.7Very high98.5Very high45 Ų4541.6 Ų41.621%0.2122%0.217CC..Hα-helixtrans-62.6-28.4176.2-173.360.180.200112.7A537 Y539 L543 T544 K546 V548 I593A537-Q541 WeakPolarHBondContact O-CB 3.23Å; A537-Q541 PolarHBondContact O-N 3.38Å; Y539-Q541 PolarHBondContact O-N 2.89Å; Q541-L543 PolarHBondContact O-N 3.35Å; Q541-T544 PolarHBondContact NE2-O 2.86Å; Q541-K546 PolarHBondContact NE2-O 3.23Å; Q541-V548 HydrophobicContact CB-CB 4.37Å; Q541-V548 HydrophobicContact CB-CG2 4.38Å; Q541-I593 HydrophobicContact CB-CD1 3.75Å; Q541-I593 HydrophobicContact CG-CD1 4.19Å
542S98.5Very high98.5Very high84 Ų8438 Ų3859%0.58719%0.194SC*.THydrogen-bonded Turntrans-73.1-10.1177.174.90000114.9K538 Y539 A540K538-S542 PolarHBondContact O-N 3.42Å; Y539-S542 PolarHBondContact O-N 3.24Å; Y539-S542 VanDerWaalsContact O-N 3.14Å; Y539-S542 PolarHBondContact O-OG 3.02Å; A540-S542 PolarHBondContact O-N 3.44Å
543L98.6Very high98.5Very high60 Ų6037.7 Ų37.731%0.31419%0.192SC..THydrogen-bonded Turntrans-93.6-4.2-177.1-65.1171.4000113.8I465 R466 I469 Y539 A540 Q541I465-L543 HydrophobicContact CG2-CD1 4.48Å; R466-L543 HydrophobicContact CB-CD1 3.77Å; R466-L543 HydrophobicContact CG-CD1 3.99Å; R466-L543 HydrophobicContact CG-CD2 4.29Å; I469-L543 HydrophobicContact CG1-CD1 4.37Å; I469-L543 HydrophobicContact CG2-CB 4.02Å; Y539-L543 HydrophobicContact CD1-CD1 4.24Å; Y539-L543 HydrophobicContact CE1-CD1 3.69Å; Y539-L543 HydrophobicContact CE2-CD2 4.46Å; Y539-L543 WeakPolarHBondContact O-CG 3.43Å; A540-L543 WeakPolarHBondContact O-CB 3.45Å; A540-L543 PolarHBondContact O-N 3.39Å; A540-L543 VanDerWaalsContact O-N 3.14Å; Q541-L543 PolarHBondContact O-N 3.35Å
544T98.6Very high98.5Very high15 Ų1537.7 Ų37.79%0.09219%0.192CC..  trans-156.9148.6-171.8172.20000111I469 E473 L480 Q541 K546 V548I469-T544 HydrophobicContact CG2-CG2 3.97Å; E473-T544 WeakPolarHBondContact OE1-CB 3.34Å; E473-T544 PolarHBondContact OE1-OG1 3.25Å; L480-T544 HydrophobicContact CD1-CG2 3.58Å; Q541-T544 PolarHBondContact NE2-O 2.86Å; T544-K546 VanDerWaalsContact C-N 3.33Å; T544-K546 WeakPolarHBondContact OG1-CB 3.42Å; T544-K546 PolarHBondContact OG1-N 3.41Å; T544-V548 HydrophobicContact CG2-CG2 3.52Å
545D97.4Very high98.5Very high177 Ų17736.5 Ų36.595%0.94719%0.185SC*.SBendtrans-82.7-11.9171.6-63.5-41.3000112.7
546K98.5Very high98.5Very high55 Ų5532.3 Ų32.324%0.23917%0.165CC..SBendtrans-75.5152.9174.9-71.6-177.9179.6162.50110.8E473 L477 L480 Q541 T544 V548E473-K546 VanDerWaalsContact OE2-CE 3.27Å; E473-K546 WeakPolarHBondContact OE2-CE 3.33Å; E473-K546 IonicContact OE2-NZ 2.95Å; E473-K546 PolarHBondContact OE2-NZ 3Å; L477-K546 WeakPolarHBondContact O-CD 3.37Å; L477-K546 WeakPolarHBondContact O-CE 3.2Å; L477-K546 PolarHBondContact O-NZ 2.87Å; L480-K546 HydrophobicContact CD1-CB 3.71Å; L480-K546 HydrophobicContact CD1-CD 4.19Å; L480-K546 HydrophobicContact CG-CB 4.13Å; L480-K546 HydrophobicContact CG-CD 4.36Å; Q541-K546 PolarHBondContact NE2-O 3.23Å; T544-K546 VanDerWaalsContact C-N 3.33Å; T544-K546 WeakPolarHBondContact OG1-CB 3.42Å; T544-K546 PolarHBondContact OG1-N 3.41Å; K546-V548 PolarHBondContact O-N 2.98Å
547P98.7Very high98.4Very high19 Ų1931.3 Ų31.312%0.12316%0.161CC..  trans-64.7131.9175.227.6-35000111.2F421 L423 V479 L480 I595F421-P547 HydrophobicContact CD1-CB 3.93Å; F421-P547 HydrophobicContact CD1-CG 4.24Å; F421-P547 HydrophobicContact CE1-CB 4.12Å; L423-P547 HydrophobicContact CD2-CG 4.38Å; V479-P547 HydrophobicContact CB-CG 4.5Å; V479-P547 HydrophobicContact CG1-CG 4.49Å; V479-P547 HydrophobicContact CG2-CG 3.98Å; L480-P547 PolarHBondContact N-O 3.47Å; P547-I595 HydrophobicContact CB-CD1 3.77Å; P547-I595 HydrophobicContact CB-CG1 4.23Å; P547-I595 HydrophobicContact CG-CD1 4.12Å
548V98.9Very high98.4Very high1 Ų131.1 Ų31.11%0.00616%0.16CC..BIsolated β-bridgetrans-108.1132.5172.5-175.30000109.4I469 L480 A540 Q541 T544 K546I469-V548 HydrophobicContact CD1-CG1 4.46Å; I469-V548 HydrophobicContact CD1-CG2 4.17Å; L480-V548 HydrophobicContact CB-CG2 4.17Å; L480-V548 CarbonylContact O-C 3.3Å; L480-V548 WeakPolarHBondContact O-CA 3.29Å; A540-V548 HydrophobicContact CB-CG1 3.92Å; Q541-V548 HydrophobicContact CB-CB 4.37Å; Q541-V548 HydrophobicContact CB-CG2 4.38Å; T544-V548 HydrophobicContact CG2-CG2 3.52Å; K546-V548 PolarHBondContact O-N 2.98Å
549K98.9Very high98.3Very high0 Ų024.9 Ų24.90%013%0.133CC..EExtended strand (participates in β ladder)trans-70.7130.8177.2-63.1-177.3172.11800111.7T429 T430 V479 L480 V481 M551 I595 Q597 H639T429-K549 WeakPolarHBondContact OG1-CE 3.43Å; T429-K549 PolarHBondContact OG1-NZ 2.95Å; T430-K549 PolarHBondContact O-NZ 3.32Å; V479-K549 HydrophobicContact CG1-CD 4.28Å; V479-K549 HydrophobicContact CG1-CG 3.74Å; L480-K549 PolarHBondContact O-N 3.24Å; V481-K549 HydrophobicContact CG1-CB 4.24Å; V481-K549 HydrophobicContact CG1-CD 3.94Å; V481-K549 HydrophobicContact CG1-CG 4.32Å; K549-M551 HydrophobicContact CB-SD 4.21Å; K549-I595 CarbonylContact C-O 3.58Å; K549-I595 VanDerWaalsContact CA-O 3.3Å; K549-I595 WeakPolarHBondContact CA-O 3.28Å; K549-I595 HydrophobicContact CG-CB 4.4Å; K549-I595 HydrophobicContact CG-CG2 3.9Å; K549-Q597 HydrophobicContact CD-CB 4.36Å; K549-H639 WeakPolarHBondContact CE-ND1 3.39Å; K549-H639 PolarHBondContact NZ-ND1 3.37Å
550G98.6Very high98.2Very high0 Ų022.9 Ų22.90%013%0.127CC..EExtended strand (participates in β ladder)trans-73.3131.4156.400000109I595 I596 Q597G550-I595 PolarHBondContact N-O 3.46Å; G550-I596 CarbonylContact O-C 3.49Å; G550-I596 WeakPolarHBondContact O-CA 3.38Å; G550-Q597 PolarHBondContact O-N 3.4Å
551M98.7Very high98.1Very high3 Ų324.8 Ų24.82%0.01514%0.135CC..EExtended strand (participates in β ladder)trans-112.1118.6-173.8-74.6-54.6-39.500111.9R487 K549 Q597 D599R487-M551 VanDerWaalsContact CZ-O 3.23Å; R487-M551 PolarHBondContact NH1-O 2.74Å; R487-M551 PolarHBondContact NH2-O 3.39Å; K549-M551 HydrophobicContact CB-SD 4.21Å; M551-Q597 HydrophobicContact CE-CB 3.87Å; M551-Q597 HydrophobicContact CE-CG 3.92Å; M551-Q597 HydrophobicContact SD-CB 3.66Å; M551-Q597 HydrophobicContact SD-CG 4.19Å; M551-D599 WeakPolarHBondContact CE-OD2 3.45Å
552L98.7Very high98Very high0 Ų023 Ų230%013%0.127CC..EExtended strand (participates in β ladder)trans-125.5153.4175.9-56.4-178.5000111.5F494 T533 E584 V585 L588 I596 Q597 I598 D599F494-L552 HydrophobicContact CE1-CD2 3.67Å; F494-L552 HydrophobicContact CZ-CB 4.32Å; F494-L552 HydrophobicContact CZ-CD2 3.8Å; T533-L552 HydrophobicContact CG2-CD2 3.96Å; L552-E584 HydrophobicContact CD1-CB 4.49Å; L552-E584 HydrophobicContact CD1-CG 4.29Å; L552-E584 HydrophobicContact CD2-CB 4.46Å; L552-E584 HydrophobicContact CD2-CG 3.55Å; L552-V585 HydrophobicContact CD1-CG2 3.44Å; L552-V585 VanDerWaalsContact CD1-CG2 3.44Å; L552-L588 HydrophobicContact CD1-CD1 4.1Å; L552-L588 HydrophobicContact CD2-CD1 3.96Å; L552-L588 HydrophobicContact CG-CD1 4.05Å; L552-I596 HydrophobicContact CD1-CG2 4.08Å; L552-I596 HydrophobicContact CG-CG2 4.36Å; L552-Q597 PolarHBondContact N-O 3.1Å; L552-I598 HydrophobicContact CB-CG1 4.34Å; L552-I598 HydrophobicContact CD1-CG1 4.4Å; L552-I598 WeakPolarHBondContact O-CA 3.37Å; L552-D599 PolarHBondContact O-N 3.33Å
553T98.3Very high98Very high1 Ų119.6 Ų19.61%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-99.2133.2166.5-54.60000108.6M490 V491 F494 T557 I558 L581M490-T553 HydrophobicContact CE-CG2 3.76Å; M490-T553 HydrophobicContact CG-CG2 4.49Å; M490-T553 WeakPolarHBondContact O-CB 2.95Å; M490-T553 PolarHBondContact O-OG1 3Å; V491-T553 HydrophobicContact CG2-CG2 4.03Å; F494-T553 WeakPolarHBondContact CE2-OG1 3.33Å; T553-T557 HydrophobicContact CG2-CG2 3.47Å; T553-T557 VanDerWaalsContact CG2-CG2 3.47Å; T553-I558 HydrophobicContact CG2-CG1 3.83Å; T553-L581 WeakPolarHBondContact O-CD1 3.47Å
554G98.1Very high98Very high0 Ų017.8 Ų17.80%09%0.094CC..  trans-67.3158.5-178.800000113.8V556 T557 I558 D599 E600G554-V556 PolarHBondContact O-N 3.27Å; G554-T557 PolarHBondContact O-N 3.15Å; G554-I558 WeakPolarHBondContact O-CG1 3.32Å; G554-I558 PolarHBondContact O-N 2.98Å; G554-D599 WeakPolarHBondContact CA-O 3.35Å; G554-D599 PolarHBondContact N-O 3.33Å; G554-E600 VanDerWaalsContact CA-OE1 3.28Å; G554-E600 WeakPolarHBondContact CA-OE1 3.44Å
555P98.5Very high97.9Very high0 Ų017.4 Ų17.40%09%0.09CC..Hα-helixtrans-66.2-37.2-173.226-33.7000113.6T557 L559 I577 A578 L581 E600 A624 N628P555-T557 VanDerWaalsContact C-N 3.34Å; P555-L559 VanDerWaalsContact O-CB 3.3Å; P555-L559 WeakPolarHBondContact O-CB 3.46Å; P555-L559 PolarHBondContact O-N 3.5Å; P555-I577 HydrophobicContact CB-CB 3.92Å; P555-I577 HydrophobicContact CB-CG2 3.79Å; P555-A578 HydrophobicContact CB-CB 4.03Å; P555-A578 HydrophobicContact CG-CB 4.02Å; P555-L581 HydrophobicContact CB-CD1 4.3Å; P555-E600 WeakPolarHBondContact CD-OE1 3.26Å; P555-E600 VanDerWaalsContact N-OE1 3.11Å; P555-A624 HydrophobicContact CG-CB 3.98Å; P555-A624 WeakPolarHBondContact CG-O 3.46Å; P555-N628 WeakPolarHBondContact CD-ND2 3.31Å
556V97.8Very high97.8Very high0 Ų013.7 Ų13.70%07%0.067CC..Hα-helixtrans-68.4-37.7176.7-173.40000109.7G554 L559 C560 E600 L603 Y617 W620 A624G554-V556 PolarHBondContact O-N 3.27Å; V556-L559 WeakPolarHBondContact O-CB 3.22Å; V556-L559 PolarHBondContact O-N 2.96Å; V556-C560 WeakPolarHBondContact O-CB 3.34Å; V556-C560 PolarHBondContact O-N 3.27Å; V556-C560 PolarHBondContact O-SG 3.41Å; V556-E600 VanDerWaalsContact CA-OE1 3.27Å; V556-E600 WeakPolarHBondContact CA-OE1 3.4Å; V556-E600 WeakPolarHBondContact CB-OE1 3.41Å; V556-E600 WeakPolarHBondContact CB-OE2 3.31Å; V556-E600 PolarHBondContact N-OE1 3.25Å; V556-L603 HydrophobicContact CG1-CD1 4.28Å; V556-L603 HydrophobicContact CG2-CD1 4.32Å; V556-Y617 VanDerWaalsContact CG1-OH 3.32Å; V556-Y617 WeakPolarHBondContact CG1-OH 3.27Å; V556-W620 HydrophobicContact CG2-CZ3 4.15Å; V556-A624 HydrophobicContact CG2-CB 4.38Å
557T96.6Very high97.6Very high0 Ų014.1 Ų14.10%07%0.072CC..Hα-helixtrans-68.3-45.8174.6-68.50000112.8M490 V491 T553 G554 P555 L559 C560 W561 E600 P601 A602M490-T557 HydrophobicContact CE-CG2 4.41Å; V491-T557 HydrophobicContact CG2-CG2 4.17Å; T553-T557 HydrophobicContact CG2-CG2 3.47Å; T553-T557 VanDerWaalsContact CG2-CG2 3.47Å; G554-T557 PolarHBondContact O-N 3.15Å; P555-T557 VanDerWaalsContact C-N 3.34Å; T557-L559 PolarHBondContact O-N 3.31Å; T557-C560 PolarHBondContact O-N 3.09Å; T557-W561 HydrophobicContact CG2-CD2 3.93Å; T557-W561 HydrophobicContact CG2-CE3 3.77Å; T557-W561 HydrophobicContact CG2-CG 4.48Å; T557-W561 HydrophobicContact CG2-CH2 4.44Å; T557-W561 HydrophobicContact CG2-CZ3 4.06Å; T557-W561 WeakPolarHBondContact O-CB 3.42Å; T557-W561 PolarHBondContact O-N 2.87Å; T557-E600 WeakPolarHBondContact CB-OE2 3.39Å; T557-E600 PolarHBondContact N-OE1 3.06Å; T557-E600 VanDerWaalsContact N-OE1 3.14Å; T557-E600 PolarHBondContact N-OE2 3.16Å; T557-E600 WeakPolarHBondContact OG1-CA 3.44Å; T557-E600 PolarHBondContact OG1-OE2 3.03Å; T557-P601 HydrophobicContact CG2-CG 3.86Å; T557-P601 VanDerWaalsContact OG1-CD 3.26Å; T557-P601 WeakPolarHBondContact OG1-CD 3.21Å; T557-A602 HydrophobicContact CG2-CB 4.22Å; T557-A602 WeakPolarHBondContact OG1-CB 3.48Å; T557-A602 PolarHBondContact OG1-N 3.07Å
558I98.1Very high97.6Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-57.3-41.2173.9-68.3177000110.2V491 F494 F501 T553 G554 S562 I577 L581V491-I558 HydrophobicContact CG1-CB 4.47Å; V491-I558 HydrophobicContact CG1-CG2 4.32Å; F494-I558 HydrophobicContact CB-CD1 3.76Å; F494-I558 HydrophobicContact CG-CD1 4.02Å; F501-I558 HydrophobicContact CE1-CG2 4.17Å; F501-I558 HydrophobicContact CZ-CG2 3.63Å; T553-I558 HydrophobicContact CG2-CG1 3.83Å; G554-I558 WeakPolarHBondContact O-CG1 3.32Å; G554-I558 PolarHBondContact O-N 2.98Å; I558-S562 WeakPolarHBondContact O-CB 3.18Å; I558-S562 PolarHBondContact O-N 3.16Å; I558-S562 PolarHBondContact O-OG 3.03Å; I558-I577 HydrophobicContact CB-CD1 4.24Å; I558-I577 HydrophobicContact CB-CG2 4.08Å; I558-I577 HydrophobicContact CD1-CG2 3.84Å; I558-I577 HydrophobicContact CG2-CD1 3.81Å; I558-I577 HydrophobicContact CG2-CG1 4.36Å; I558-I577 HydrophobicContact CG2-CG2 4.09Å; I558-L581 HydrophobicContact CD1-CD1 4.06Å; I558-L581 HydrophobicContact CD1-CD2 4.31Å
559L97.9Very high97.5Very high0 Ų018.1 Ų18.10%010%0.099CC..Hα-helixtrans-63.7-53.4175168.564.9000112.7P555 V556 T557 W561 S562 P564 R570 I573 A574 I577 W620P555-L559 VanDerWaalsContact O-CB 3.3Å; P555-L559 WeakPolarHBondContact O-CB 3.46Å; P555-L559 PolarHBondContact O-N 3.5Å; V556-L559 WeakPolarHBondContact O-CB 3.22Å; V556-L559 PolarHBondContact O-N 2.96Å; T557-L559 PolarHBondContact O-N 3.31Å; L559-W561 VanDerWaalsContact C-N 3.34Å; L559-W561 PolarHBondContact O-N 2.96Å; L559-S562 PolarHBondContact O-N 3.22Å; L559-P564 HydrophobicContact CD1-CB 3.8Å; L559-R570 HydrophobicContact CD2-CB 3.98Å; L559-R570 WeakPolarHBondContact CD2-O 3.27Å; L559-I573 HydrophobicContact CD1-CB 3.93Å; L559-I573 HydrophobicContact CD1-CD1 3.96Å; L559-I573 HydrophobicContact CD1-CG2 3.74Å; L559-A574 HydrophobicContact CD2-CB 4.02Å; L559-I577 HydrophobicContact CB-CD1 4.12Å; L559-W620 HydrophobicContact CD2-CH2 3.95Å; L559-W620 HydrophobicContact CD2-CZ3 4.25Å
560C96Very high97.4Very high20 Ų2022.4 Ų22.414%0.13512%0.115CC..Hα-helixtrans-69.5-31.4-171.4-67.60000113.1V556 T557 R570 A602V556-C560 WeakPolarHBondContact O-CB 3.34Å; V556-C560 PolarHBondContact O-N 3.27Å; V556-C560 PolarHBondContact O-SG 3.41Å; T557-C560 PolarHBondContact O-N 3.09Å; C560-R570 PolarHBondContact SG-NH2 3.46Å; C560-A602 HydrophobicContact CB-CB 3.55Å
561W95.9Very high97.4Very high41 Ų4125.8 Ų25.816%0.15513%0.131CC..THydrogen-bonded Turntrans-98.79179.2-67.9-1.1000113.6M490 V491 P519 T557 L559 P601 E605M490-W561 HydrophobicContact CE-CZ3 4.33Å; M490-W561 HydrophobicContact CG-CE3 4.31Å; M490-W561 HydrophobicContact CG-CZ3 3.87Å; M490-W561 HydrophobicContact SD-CE3 4.46Å; M490-W561 HydrophobicContact SD-CH2 4.18Å; M490-W561 HydrophobicContact SD-CZ3 3.5Å; M490-W561 VanDerWaalsContact SD-CZ3 3.5Å; V491-W561 HydrophobicContact CB-CB 4.48Å; V491-W561 HydrophobicContact CG1-CB 4.48Å; V491-W561 HydrophobicContact CG2-CB 3.97Å; V491-W561 HydrophobicContact CG2-CE3 3.84Å; P519-W561 WeakPolarHBondContact CB-O 3.49Å; T557-W561 HydrophobicContact CG2-CD2 3.93Å; T557-W561 HydrophobicContact CG2-CE3 3.77Å; T557-W561 HydrophobicContact CG2-CG 4.48Å; T557-W561 HydrophobicContact CG2-CH2 4.44Å; T557-W561 HydrophobicContact CG2-CZ3 4.06Å; T557-W561 WeakPolarHBondContact O-CB 3.42Å; T557-W561 PolarHBondContact O-N 2.87Å; L559-W561 VanDerWaalsContact C-N 3.34Å; L559-W561 PolarHBondContact O-N 2.96Å; W561-P601 HydrophobicContact CH2-CB 4.03Å; W561-P601 HydrophobicContact CH2-CG 3.46Å; W561-P601 VanDerWaalsContact CH2-CG 3.46Å; W561-P601 HydrophobicContact CZ2-CB 4.1Å; W561-P601 HydrophobicContact CZ2-CG 3.83Å; W561-P601 HydrophobicContact CZ3-CG 4.16Å; W561-E605 PolarHBondContact NE1-OE1 3.14Å; W561-E605 PolarHBondContact NE1-OE2 2.77Å
562S97.8Very high97.4Very high6 Ų627.8 Ų27.84%0.04214%0.143CC..SBendtrans-102.5164.2161.5-59.80000109.7V491 F501 P520 I558 L559 P564V491-S562 WeakPolarHBondContact CG1-OG 3.07Å; F501-S562 WeakPolarHBondContact CE1-OG 2.98Å; P520-S562 CarbonylContact O-C 3.47Å; P520-S562 VanDerWaalsContact O-CA 3.27Å; P520-S562 WeakPolarHBondContact O-CA 3.37Å; P520-S562 WeakPolarHBondContact O-CB 3.41Å; I558-S562 WeakPolarHBondContact O-CB 3.18Å; I558-S562 PolarHBondContact O-N 3.16Å; I558-S562 PolarHBondContact O-OG 3.03Å; L559-S562 PolarHBondContact O-N 3.22Å; S562-P564 WeakPolarHBondContact O-CD 3.49Å
563F98.2Very high97.4Very high14 Ų1427.8 Ų27.86%0.06114%0.143CC..BIsolated β-bridgetrans-77.8107.6160.9-74.5-61.8000108.6R294 N295 V296 P329 V509 P519 P520 I521 V522R294-F563 WeakPolarHBondContact O-CE1 3.13Å; N295-F563 WeakPolarHBondContact OD1-CB 3.32Å; N295-F563 WeakPolarHBondContact OD1-CD1 3.5Å; V296-F563 HydrophobicContact CB-CD2 4.41Å; V296-F563 HydrophobicContact CB-CG 4.39Å; V296-F563 HydrophobicContact CG1-CD1 3.98Å; V296-F563 HydrophobicContact CG1-CD2 3.51Å; V296-F563 HydrophobicContact CG1-CE1 3.88Å; V296-F563 HydrophobicContact CG1-CE2 3.4Å; V296-F563 VanDerWaalsContact CG1-CE2 3.4Å; V296-F563 HydrophobicContact CG1-CG 3.79Å; V296-F563 HydrophobicContact CG1-CZ 3.58Å; V296-F563 HydrophobicContact CG2-CB 3.79Å; V296-F563 HydrophobicContact CG2-CD1 4.43Å; V296-F563 HydrophobicContact CG2-CD2 4.03Å; V296-F563 HydrophobicContact CG2-CG 3.84Å; P329-F563 HydrophobicContact CG-CE2 4.25Å; P329-F563 HydrophobicContact CG-CZ 4.41Å; V509-F563 HydrophobicContact CG2-CE2 4.36Å; V509-F563 HydrophobicContact CG2-CZ 3.87Å; P519-F563 HydrophobicContact CB-CD2 3.73Å; P519-F563 HydrophobicContact CB-CE2 3.78Å; P519-F563 HydrophobicContact CB-CG 4.44Å; P519-F563 HydrophobicContact CG-CD2 4.28Å; P519-F563 HydrophobicContact CG-CE2 3.81Å; P519-F563 HydrophobicContact CG-CZ 4.22Å; P520-F563 PolarHBondContact O-N 2.88Å; I521-F563 HydrophobicContact CB-CB 4.4Å; I521-F563 HydrophobicContact CG1-CB 4.13Å; I521-F563 HydrophobicContact CG1-CD2 4.06Å; I521-F563 HydrophobicContact CG2-CB 4.16Å; V522-F563 PolarHBondContact N-O 3.47Å
564P97.7Very high97.4Very high22 Ų2227.8 Ų27.814%0.14314%0.143CC..  trans-73.6149.8-178.233.1-36.8000110N295 W297 L559 S562 I573N295-P564 PolarHBondContact ND2-O 3.36Å; W297-P564 PolarHBondContact NE1-O 2.98Å; L559-P564 HydrophobicContact CD1-CB 3.8Å; S562-P564 WeakPolarHBondContact O-CD 3.49Å; P564-I573 HydrophobicContact CB-CD1 3.96Å
565R97Very high97.4Very high6 Ų629.2 Ų29.22%0.02315%0.149CC..  trans-63.4152.416453.5164.844.1177-19.6111.9W297 V387 V522 I523 G524 D525 D567 V568 I573W297-R565 HydrophobicContact CZ2-CB 3.81Å; V387-R565 VanDerWaalsContact CA-NH2 3.31Å; V387-R565 PolarHBondContact O-NH1 3.18Å; V387-R565 PolarHBondContact O-NH2 2.81Å; V522-R565 HydrophobicContact CG1-CG 4.2Å; V522-R565 WeakPolarHBondContact O-CB 3.49Å; V522-R565 PolarHBondContact O-N 3.4Å; I523-R565 PolarHBondContact O-NH2 3.07Å; G524-R565 VanDerWaalsContact C-NH1 3.33Å; G524-R565 VanDerWaalsContact C-NH2 3.32Å; G524-R565 VanDerWaalsContact CA-CZ 3.49Å; D525-R565 IonicContact OD1-NH1 3.86Å; D525-R565 PolarHBondContact OD1-NH1 2.7Å; R565-D567 VanDerWaalsContact CB-OD1 3.3Å; R565-D567 WeakPolarHBondContact CB-OD1 3.42Å; R565-D567 VanDerWaalsContact CD-OD1 3.27Å; R565-D567 WeakPolarHBondContact CD-OD1 3.2Å; R565-D567 IonicContact NE-OD1 2.66Å; R565-V568 VanDerWaalsContact CD-CG2 3.46Å; R565-V568 HydrophobicContact CG-CG2 3.98Å; R565-I573 HydrophobicContact CG-CD1 3.56Å; R565-I573 HydrophobicContact CG-CG1 3.98Å
566E95.2Very high97.4Very high100 Ų10029.3 Ų29.347%0.46715%0.15SC..SBendtrans-106.5-4.3-174.2-68.1177.7174.800113.6N292 N295 W297N292-E566 PolarHBondContact ND2-OE1 3.1Å; N295-E566 VanDerWaalsContact CB-OE1 3.28Å; N295-E566 WeakPolarHBondContact CB-OE1 3.47Å; N295-E566 PolarHBondContact ND2-OE1 3.2Å; W297-E566 VanDerWaalsContact CD1-CD 3.45Å; W297-E566 HydrophobicContact CG-CG 4.32Å
567D95.3Very high97.5Very high63 Ų6329.3 Ų29.334%0.33715%0.15SC..SBendtrans-89.3-10-177.458.2-36.8000114.7R381 R565R381-D567 IonicContact CZ-OD1 3.85Å; R381-D567 IonicContact CZ-OD2 3.96Å; R381-D567 IonicContact NH1-OD1 2.8Å; R381-D567 PolarHBondContact NH1-OD1 2.84Å; R381-D567 IonicContact NH1-OD2 3.39Å; R381-D567 PolarHBondContact NH1-OD2 2.71Å; R381-D567 VanDerWaalsContact NH2-CG 3.34Å; R381-D567 IonicContact NH2-OD1 3.16Å; R381-D567 PolarHBondContact NH2-OD1 2.82Å; R381-D567 IonicContact NH2-OD2 2.91Å; R381-D567 PolarHBondContact NH2-OD2 2.74Å; R565-D567 VanDerWaalsContact CB-OD1 3.3Å; R565-D567 WeakPolarHBondContact CB-OD1 3.42Å; R565-D567 VanDerWaalsContact CD-OD1 3.27Å; R565-D567 WeakPolarHBondContact CD-OD1 3.2Å; R565-D567 IonicContact NE-OD1 2.66Å
568V96.6Very high97.6Very high48 Ų4829.3 Ų29.329%0.29115%0.15SC..SBendtrans-135.1165.9174.9-55.30000109.9R565 T572 I573R565-V568 VanDerWaalsContact CD-CG2 3.46Å; R565-V568 HydrophobicContact CG-CG2 3.98Å; V568-T572 HydrophobicContact CB-CG2 4.37Å; V568-T572 HydrophobicContact CG2-CG2 4.33Å; V568-I573 HydrophobicContact CG2-CD1 4.18Å; V568-I573 HydrophobicContact CG2-CG1 3.67Å
569S97.1Very high97.6Very high57 Ų5730 Ų3040%0.39915%0.153SC..  trans-70.2154.2179.576.40000112E571 T572 I573S569-E571 PolarHBondContact O-N 3.12Å; S569-T572 PolarHBondContact O-N 2.74Å; S569-T572 VanDerWaalsContact O-N 3.14Å; S569-T572 PolarHBondContact OG-N 3.5Å; S569-T572 VanDerWaalsContact OG-N 3.1Å; S569-T572 PolarHBondContact OG-OG1 3.43Å; S569-T572 VanDerWaalsContact OG-OG1 3.08Å; S569-I573 WeakPolarHBondContact O-CG1 3.27Å; S569-I573 PolarHBondContact O-N 3.06Å
570R97.6Very high97.6Very high90 Ų9030.1 Ų30.134%0.3415%0.154SC..Hα-helixtrans-55.3-39.5170.9-73.2-178.271.783.5-1.7112L559 C560 I573 A574 W620L559-R570 HydrophobicContact CD2-CB 3.98Å; L559-R570 WeakPolarHBondContact CD2-O 3.27Å; C560-R570 PolarHBondContact SG-NH2 3.46Å; R570-I573 PolarHBondContact O-N 3.22Å; R570-A574 WeakPolarHBondContact O-CB 3.35Å; R570-A574 PolarHBondContact O-N 3.32Å; R570-W620 HydrophobicContact CB-CH2 4.22Å; R570-W620 HydrophobicContact CB-CZ2 4.06Å
571E98Very high97.8Very high70 Ų7029.1 Ų29.133%0.32715%0.148SC..Hα-helixtrans-57.9-47.5174.7171.9-179.3-176.500112S569 I573 A574 K575 W620S569-E571 PolarHBondContact O-N 3.12Å; E571-I573 VanDerWaalsContact C-N 3.32Å; E571-I573 PolarHBondContact O-N 2.81Å; E571-A574 PolarHBondContact O-N 3.27Å; E571-K575 HydrophobicContact CG-CD 4.04Å; E571-K575 WeakPolarHBondContact O-CG 3.31Å; E571-K575 PolarHBondContact O-N 2.81Å; E571-K575 WeakPolarHBondContact OE1-CE 3.26Å; E571-K575 IonicContact OE1-NZ 3.33Å; E571-K575 PolarHBondContact OE1-NZ 3.5Å; E571-W620 HydrophobicContact CB-CB 4.24Å; E571-W620 HydrophobicContact CB-CD2 3.92Å; E571-W620 HydrophobicContact CB-CE3 4.37Å; E571-W620 HydrophobicContact CB-CG 3.84Å; E571-W620 HydrophobicContact CG-CB 3.78Å; E571-W620 HydrophobicContact CG-CD2 4.38Å; E571-W620 HydrophobicContact CG-CG 3.95Å
572T98.4Very high97.9Very high46 Ų4629.1 Ų29.128%0.28215%0.148SC..Hα-helixtrans-58.1-46.7178.8-61.20000110.7L396 V568 S569 A574 K575 Q576L396-T572 HydrophobicContact CD1-CG2 4.09Å; V568-T572 HydrophobicContact CB-CG2 4.37Å; V568-T572 HydrophobicContact CG2-CG2 4.33Å; S569-T572 PolarHBondContact O-N 2.74Å; S569-T572 VanDerWaalsContact O-N 3.14Å; S569-T572 PolarHBondContact OG-N 3.5Å; S569-T572 VanDerWaalsContact OG-N 3.1Å; S569-T572 PolarHBondContact OG-OG1 3.43Å; S569-T572 VanDerWaalsContact OG-OG1 3.08Å; T572-A574 PolarHBondContact O-N 3.24Å; T572-K575 PolarHBondContact O-N 2.93Å; T572-Q576 WeakPolarHBondContact O-CG 3.3Å; T572-Q576 PolarHBondContact O-N 2.85Å
573I98.5Very high97.9Very high0 Ų031 Ų310%016%0.157CC..Hα-helixtrans-62.2-46.1178.5-53.6165.4000110.4V522 L559 P564 R565 V568 S569 R570 E571 K575 Q576 I577V522-I573 HydrophobicContact CG1-CG2 4.05Å; V522-I573 HydrophobicContact CG2-CG2 4.39Å; L559-I573 HydrophobicContact CD1-CB 3.93Å; L559-I573 HydrophobicContact CD1-CD1 3.96Å; L559-I573 HydrophobicContact CD1-CG2 3.74Å; P564-I573 HydrophobicContact CB-CD1 3.96Å; R565-I573 HydrophobicContact CG-CD1 3.56Å; R565-I573 HydrophobicContact CG-CG1 3.98Å; V568-I573 HydrophobicContact CG2-CD1 4.18Å; V568-I573 HydrophobicContact CG2-CG1 3.67Å; S569-I573 WeakPolarHBondContact O-CG1 3.27Å; S569-I573 PolarHBondContact O-N 3.06Å; R570-I573 PolarHBondContact O-N 3.22Å; E571-I573 VanDerWaalsContact C-N 3.32Å; E571-I573 PolarHBondContact O-N 2.81Å; I573-K575 VanDerWaalsContact C-N 3.34Å; I573-K575 PolarHBondContact O-N 3.05Å; I573-Q576 PolarHBondContact O-N 3.33Å; I573-I577 HydrophobicContact CG2-CD1 3.86Å; I573-I577 HydrophobicContact CG2-CG1 4.49Å; I573-I577 WeakPolarHBondContact O-CG1 3.48Å; I573-I577 PolarHBondContact O-N 2.61Å
574A98.5Very high98Very high0 Ų030.3 Ų30.30%015%0.154CC..Hα-helixtrans-59.8-43179.100000112L559 R570 E571 T572 I577 A578 W620 A624L559-A574 HydrophobicContact CD2-CB 4.02Å; R570-A574 WeakPolarHBondContact O-CB 3.35Å; R570-A574 PolarHBondContact O-N 3.32Å; E571-A574 PolarHBondContact O-N 3.27Å; T572-A574 PolarHBondContact O-N 3.24Å; A574-I577 PolarHBondContact O-N 3Å; A574-A578 VanDerWaalsContact O-CB 3.3Å; A574-A578 WeakPolarHBondContact O-CB 3.46Å; A574-A578 PolarHBondContact O-N 3.48Å; A574-W620 HydrophobicContact CB-CE3 3.89Å; A574-W620 HydrophobicContact CB-CZ3 3.51Å; A574-A624 HydrophobicContact CB-CB 3.97Å
575K98.6Very high98Very high30 Ų3029.2 Ų29.213%0.1315%0.147CC..Hα-helixtrans-66.1-35.7177.4-74.5-179.7171.4175.10112.6L396 I399 E571 T572 I573 A578 L579 E623 I627L396-K575 HydrophobicContact CD2-CB 3.61Å; I399-K575 HydrophobicContact CD1-CB 4.22Å; I399-K575 HydrophobicContact CD1-CD 4.38Å; E571-K575 HydrophobicContact CG-CD 4.04Å; E571-K575 WeakPolarHBondContact O-CG 3.31Å; E571-K575 PolarHBondContact O-N 2.81Å; E571-K575 WeakPolarHBondContact OE1-CE 3.26Å; E571-K575 IonicContact OE1-NZ 3.33Å; E571-K575 PolarHBondContact OE1-NZ 3.5Å; T572-K575 PolarHBondContact O-N 2.93Å; I573-K575 VanDerWaalsContact C-N 3.34Å; I573-K575 PolarHBondContact O-N 3.05Å; K575-A578 PolarHBondContact O-N 2.88Å; K575-L579 WeakPolarHBondContact O-CG 3.5Å; K575-L579 PolarHBondContact O-N 3.42Å; K575-E623 WeakPolarHBondContact CE-OE2 3.3Å; K575-E623 IonicContact NZ-OE1 2.9Å; K575-E623 PolarHBondContact NZ-OE1 3.47Å; K575-E623 IonicContact NZ-OE2 3.52Å; K575-E623 PolarHBondContact NZ-OE2 2.99Å; K575-I627 HydrophobicContact CG-CD1 4.28Å
576Q98.8Very high98.1Very high3 Ų330.7 Ų30.71%0.01416%0.161CC..Hα-helixtrans-63.6-48172.8-66.8177-7.800111.5V392 L396 D525 V526 T572 I573 A578 L579 A580V392-Q576 HydrophobicContact CG1-CB 4.34Å; V392-Q576 HydrophobicContact CG1-CG 3.66Å; L396-Q576 HydrophobicContact CD1-CG 3.54Å; L396-Q576 HydrophobicContact CD2-CG 3.88Å; L396-Q576 HydrophobicContact CG-CG 3.94Å; D525-Q576 PolarHBondContact OD1-NE2 2.83Å; V526-Q576 HydrophobicContact CB-CB 3.93Å; T572-Q576 WeakPolarHBondContact O-CG 3.3Å; T572-Q576 PolarHBondContact O-N 2.85Å; I573-Q576 PolarHBondContact O-N 3.33Å; Q576-A578 VanDerWaalsContact C-N 3.3Å; Q576-A578 PolarHBondContact O-N 3.02Å; Q576-L579 PolarHBondContact O-N 3.29Å; Q576-A580 PolarHBondContact O-N 3.14Å; Q576-A580 VanDerWaalsContact O-N 3.11Å
577I98.8Very high98.3Very high0 Ų028.6 Ų28.60%015%0.152CC..Hα-helixtrans-62.3-41.1177.2-60.1160.7000110.3V526 P555 I558 L559 I573 A574 L579 A580 L581V526-I577 HydrophobicContact CB-CG1 4.35Å; V526-I577 HydrophobicContact CG1-CG1 4.06Å; V526-I577 HydrophobicContact CG2-CG1 4.25Å; P555-I577 HydrophobicContact CB-CB 3.92Å; P555-I577 HydrophobicContact CB-CG2 3.79Å; I558-I577 HydrophobicContact CB-CD1 4.24Å; I558-I577 HydrophobicContact CB-CG2 4.08Å; I558-I577 HydrophobicContact CD1-CG2 3.84Å; I558-I577 HydrophobicContact CG2-CD1 3.81Å; I558-I577 HydrophobicContact CG2-CG1 4.36Å; I558-I577 HydrophobicContact CG2-CG2 4.09Å; L559-I577 HydrophobicContact CB-CD1 4.12Å; I573-I577 HydrophobicContact CG2-CD1 3.86Å; I573-I577 HydrophobicContact CG2-CG1 4.49Å; I573-I577 WeakPolarHBondContact O-CG1 3.48Å; I573-I577 PolarHBondContact O-N 2.61Å; A574-I577 PolarHBondContact O-N 3Å; I577-L579 PolarHBondContact O-N 3.33Å; I577-A580 WeakPolarHBondContact O-CB 3.21Å; I577-A580 PolarHBondContact O-N 2.99Å; I577-L581 HydrophobicContact CG2-CD1 3.87Å; I577-L581 HydrophobicContact CG2-CG 4.17Å; I577-L581 WeakPolarHBondContact O-CG 3.41Å; I577-L581 PolarHBondContact O-N 2.78Å
578A98.8Very high98.5Very high0 Ų025.6 Ų25.60%014%0.136CC..Hα-helixtrans-60.2-44.9178.900000112.4P555 A574 K575 Q576 A580 L581 R582 A624 I627P555-A578 HydrophobicContact CB-CB 4.03Å; P555-A578 HydrophobicContact CG-CB 4.02Å; A574-A578 VanDerWaalsContact O-CB 3.3Å; A574-A578 WeakPolarHBondContact O-CB 3.46Å; A574-A578 PolarHBondContact O-N 3.48Å; K575-A578 PolarHBondContact O-N 2.88Å; Q576-A578 VanDerWaalsContact C-N 3.3Å; Q576-A578 PolarHBondContact O-N 3.02Å; A578-A580 VanDerWaalsContact C-N 3.34Å; A578-A580 PolarHBondContact O-N 3.26Å; A578-L581 PolarHBondContact O-N 2.76Å; A578-R582 WeakPolarHBondContact O-CB 3.24Å; A578-R582 PolarHBondContact O-N 2.89Å; A578-A624 HydrophobicContact CB-CB 4.31Å; A578-A624 WeakPolarHBondContact CB-O 3.32Å; A578-I627 HydrophobicContact CB-CB 3.97Å; A578-I627 HydrophobicContact CB-CG2 3.81Å
579L98.7Very high98.5Very high14 Ų1424.5 Ų24.57%0.07313%0.128CC..Hα-helixtrans-62.7-40.1175.3-74.3172.7000112.3R395 L396 I399 K575 Q576 I577 R582 D583 I627R395-L579 HydrophobicContact CB-CD1 4.37Å; R395-L579 HydrophobicContact CG-CD1 3.86Å; R395-L579 PolarHBondContact NH2-O 3.37Å; L396-L579 HydrophobicContact CD2-CD1 3.97Å; L396-L579 HydrophobicContact CG-CD1 4.37Å; I399-L579 HydrophobicContact CD1-CD1 3.96Å; I399-L579 HydrophobicContact CD1-CD2 4.41Å; I399-L579 HydrophobicContact CD1-CG 4.23Å; I399-L579 HydrophobicContact CG1-CD1 4.25Å; I399-L579 HydrophobicContact CG1-CD2 4.19Å; K575-L579 WeakPolarHBondContact O-CG 3.5Å; K575-L579 PolarHBondContact O-N 3.42Å; Q576-L579 PolarHBondContact O-N 3.29Å; I577-L579 PolarHBondContact O-N 3.33Å; L579-R582 WeakPolarHBondContact O-CB 3.43Å; L579-R582 PolarHBondContact O-N 2.82Å; L579-D583 PolarHBondContact O-N 2.76Å; L579-I627 HydrophobicContact CD2-CG2 4.06Å; L579-I627 HydrophobicContact CG-CG2 4.39Å
580A98.7Very high98.6Very high2 Ų225.7 Ų25.72%0.01714%0.142CC..Hα-helixtrans-63.2-42.9175.800000111.8L498 R528 Q576 I577 A578 D583L498-A580 HydrophobicContact CD2-CB 3.78Å; R528-A580 HydrophobicContact CB-CB 3.98Å; Q576-A580 PolarHBondContact O-N 3.14Å; Q576-A580 VanDerWaalsContact O-N 3.11Å; I577-A580 WeakPolarHBondContact O-CB 3.21Å; I577-A580 PolarHBondContact O-N 2.99Å; A578-A580 VanDerWaalsContact C-N 3.34Å; A578-A580 PolarHBondContact O-N 3.26Å; A580-D583 PolarHBondContact O-N 2.92Å
581L98.8Very high98.7Very high0 Ų023 Ų230%014%0.138CC..Hα-helixtrans-74-29.2177.7-66.8175.3000113.2F494 T553 P555 I558 I577 A578 D583 E584 V585 N628F494-L581 HydrophobicContact CD1-CD2 3.91Å; F494-L581 HydrophobicContact CE1-CD2 4.14Å; T553-L581 WeakPolarHBondContact O-CD1 3.47Å; P555-L581 HydrophobicContact CB-CD1 4.3Å; I558-L581 HydrophobicContact CD1-CD1 4.06Å; I558-L581 HydrophobicContact CD1-CD2 4.31Å; I577-L581 HydrophobicContact CG2-CD1 3.87Å; I577-L581 HydrophobicContact CG2-CG 4.17Å; I577-L581 WeakPolarHBondContact O-CG 3.41Å; I577-L581 PolarHBondContact O-N 2.78Å; A578-L581 PolarHBondContact O-N 2.76Å; L581-D583 PolarHBondContact O-N 2.92Å; L581-E584 WeakPolarHBondContact O-CB 3.24Å; L581-E584 PolarHBondContact O-N 3.38Å; L581-V585 WeakPolarHBondContact O-CG2 3.42Å; L581-V585 PolarHBondContact O-N 3.11Å; L581-N628 HydrophobicContact CB-CB 3.89Å
582R98.7Very high98.6Very high41 Ų4121.7 Ų21.716%0.15514%0.144CC..Hα-helixtrans-55.3-42.1172.9-173.4-176.9179.987.1-9.7111D403 A578 L579 E584 V585 A586 I627 V631D403-R582 PolarHBondContact O-NH1 2.79Å; D403-R582 IonicContact OD1-NH2 2.95Å; A578-R582 WeakPolarHBondContact O-CB 3.24Å; A578-R582 PolarHBondContact O-N 2.89Å; L579-R582 WeakPolarHBondContact O-CB 3.43Å; L579-R582 PolarHBondContact O-N 2.82Å; R582-E584 VanDerWaalsContact C-N 3.31Å; R582-E584 PolarHBondContact O-N 2.66Å; R582-V585 PolarHBondContact O-N 3.28Å; R582-A586 PolarHBondContact O-N 2.84Å; R582-A586 VanDerWaalsContact O-N 3.08Å; R582-I627 VanDerWaalsContact CD-O 3.3Å; R582-I627 WeakPolarHBondContact CD-O 3.48Å; R582-I627 VanDerWaalsContact CG-O 3.32Å; R582-I627 WeakPolarHBondContact CG-O 3.27Å; R582-I627 PolarHBondContact NH1-O 3.42Å; R582-V631 HydrophobicContact CG-CB 3.87Å; R582-V631 HydrophobicContact CG-CG1 3.96Å; R582-V631 HydrophobicContact CG-CG2 4.33Å
583D98.8Very high98.6Very high44 Ų4419.6 Ų19.624%0.23513%0.131CC..Hα-helixtrans-66.6-35.8177.6-60.8-20.4000111.6R395 L579 A580 L581 A586 D587R395-D583 IonicContact CZ-OD1 3.69Å; R395-D583 IonicContact CZ-OD2 3.37Å; R395-D583 IonicContact NH1-OD1 3.82Å; R395-D583 IonicContact NH1-OD2 2.73Å; R395-D583 PolarHBondContact NH1-OD2 2.93Å; R395-D583 VanDerWaalsContact NH2-CG 3.26Å; R395-D583 IonicContact NH2-OD1 2.7Å; R395-D583 PolarHBondContact NH2-OD1 3.28Å; R395-D583 IonicContact NH2-OD2 3.12Å; R395-D583 PolarHBondContact NH2-OD2 2.97Å; R395-D583 VanDerWaalsContact NH2-OD2 3.12Å; L579-D583 PolarHBondContact O-N 2.76Å; A580-D583 PolarHBondContact O-N 2.92Å; L581-D583 PolarHBondContact O-N 2.92Å; D583-A586 PolarHBondContact O-N 3.49Å; D583-D587 PolarHBondContact O-N 2.69Å
584E98.8Very high98.6Very high0 Ų019.7 Ų19.70%013%0.132CC..Hα-helixtrans-68.6-40.4176.6-170.566.2-167.100112.3R528 P531 I532 T533 V534 L552 L581 R582 D587 L588R528-E584 IonicContact CZ-OE2 3.06Å; R528-E584 IonicContact NH1-OE2 3.01Å; R528-E584 PolarHBondContact NH1-OE2 3.35Å; P531-E584 WeakPolarHBondContact CA-OE2 3.46Å; I532-E584 PolarHBondContact N-OE1 2.78Å; I532-E584 VanDerWaalsContact N-OE1 3.14Å; I532-E584 PolarHBondContact N-OE2 3.18Å; T533-E584 WeakPolarHBondContact CA-OE1 3.48Å; T533-E584 WeakPolarHBondContact CB-OE1 3.43Å; T533-E584 PolarHBondContact N-OE1 2.96Å; T533-E584 PolarHBondContact OG1-OE1 3.28Å; V534-E584 PolarHBondContact N-OE1 3.44Å; L552-E584 HydrophobicContact CD1-CB 4.49Å; L552-E584 HydrophobicContact CD1-CG 4.29Å; L552-E584 HydrophobicContact CD2-CB 4.46Å; L552-E584 HydrophobicContact CD2-CG 3.55Å; L581-E584 WeakPolarHBondContact O-CB 3.24Å; L581-E584 PolarHBondContact O-N 3.38Å; R582-E584 VanDerWaalsContact C-N 3.31Å; R582-E584 PolarHBondContact O-N 2.66Å; E584-D587 PolarHBondContact O-N 3.48Å; E584-L588 HydrophobicContact CG-CD1 4.49Å; E584-L588 WeakPolarHBondContact O-CB 3.25Å; E584-L588 WeakPolarHBondContact O-CG 3.27Å; E584-L588 PolarHBondContact O-N 2.92Å
585V98.8Very high98.6Very high0 Ų019.7 Ų19.70%013%0.132CC..Hα-helixtrans-60.5-46.8173.6173.30000110.4L552 L581 R582 D587 L588 E589 I596 I598 V631 A632L552-V585 HydrophobicContact CD1-CG2 3.44Å; L552-V585 VanDerWaalsContact CD1-CG2 3.44Å; L581-V585 WeakPolarHBondContact O-CG2 3.42Å; L581-V585 PolarHBondContact O-N 3.11Å; R582-V585 PolarHBondContact O-N 3.28Å; V585-D587 VanDerWaalsContact C-N 3.33Å; V585-D587 PolarHBondContact O-N 3.23Å; V585-L588 PolarHBondContact O-N 3.33Å; V585-E589 PolarHBondContact O-N 2.91Å; V585-I596 HydrophobicContact CG1-CD1 3.92Å; V585-I596 HydrophobicContact CG2-CG2 4.43Å; V585-I598 HydrophobicContact CG2-CD1 3.83Å; V585-V631 HydrophobicContact CB-CG1 3.86Å; V585-V631 HydrophobicContact CG1-CG1 3.57Å; V585-A632 HydrophobicContact CG1-CB 4.35Å
586A98.7Very high98.7Very high37 Ų3718.3 Ų18.331%0.30613%0.126SC..Hα-helixtrans-60.8-41.7178.200000112.2R582 D583 E589 A590 V631R582-A586 PolarHBondContact O-N 2.84Å; R582-A586 VanDerWaalsContact O-N 3.08Å; D583-A586 PolarHBondContact O-N 3.49Å; A586-E589 PolarHBondContact O-N 3.19Å; A586-A590 WeakPolarHBondContact O-CB 3.37Å; A586-A590 PolarHBondContact O-N 3.37Å; A586-V631 HydrophobicContact CB-CG1 4.34Å; A586-V631 HydrophobicContact CB-CG2 4.12Å
587D98.9Very high98.7Very high55 Ų5518.1 Ų18.129%0.29413%0.126SC..Hα-helixtrans-70.9-36.2178.8-72.9-20.7000112.9R528 V534 D583 E584 V585 A590 A591R528-D587 IonicContact CZ-OD2 2.73Å; R528-D587 IonicContact NH1-OD2 3.19Å; R528-D587 PolarHBondContact NH1-OD2 3.23Å; R528-D587 IonicContact NH2-OD2 2.79Å; R528-D587 PolarHBondContact NH2-OD2 3.5Å; V534-D587 HydrophobicContact CG2-CB 3.72Å; D583-D587 PolarHBondContact O-N 2.69Å; E584-D587 PolarHBondContact O-N 3.48Å; V585-D587 VanDerWaalsContact C-N 3.33Å; V585-D587 PolarHBondContact O-N 3.23Å; D587-A590 PolarHBondContact O-N 2.91Å; D587-A591 WeakPolarHBondContact O-CB 3.27Å; D587-A591 PolarHBondContact O-N 3.17Å
588L98.9Very high98.7Very high0 Ų018.1 Ų18.10%013%0.126CC..Hα-helixtrans-61.8-47.4172.8-79.8169.9000111.1V534 A537 L552 E584 V585 A590 A591 G592 I593 I596V534-L588 HydrophobicContact CG2-CD2 4.23Å; V534-L588 HydrophobicContact CG2-CG 4.25Å; A537-L588 HydrophobicContact CB-CD2 3.57Å; L552-L588 HydrophobicContact CD1-CD1 4.1Å; L552-L588 HydrophobicContact CD2-CD1 3.96Å; L552-L588 HydrophobicContact CG-CD1 4.05Å; E584-L588 HydrophobicContact CG-CD1 4.49Å; E584-L588 WeakPolarHBondContact O-CB 3.25Å; E584-L588 WeakPolarHBondContact O-CG 3.27Å; E584-L588 PolarHBondContact O-N 2.92Å; V585-L588 PolarHBondContact O-N 3.33Å; L588-A590 PolarHBondContact O-N 2.99Å; L588-A591 WeakPolarHBondContact O-CB 3.35Å; L588-A591 PolarHBondContact O-N 2.92Å; L588-A591 VanDerWaalsContact O-N 3.15Å; L588-G592 PolarHBondContact O-N 3.42Å; L588-I593 HydrophobicContact CB-CB 4.35Å; L588-I593 HydrophobicContact CD2-CG1 4.08Å; L588-I593 VanDerWaalsContact O-CB 3.29Å; L588-I593 WeakPolarHBondContact O-CB 3.08Å; L588-I593 WeakPolarHBondContact O-CG1 3.29Å; L588-I593 PolarHBondContact O-N 3.44Å; L588-I593 VanDerWaalsContact O-N 3.11Å; L588-I596 HydrophobicContact CB-CD1 3.76Å; L588-I596 HydrophobicContact CB-CG1 4.27Å; L588-I596 HydrophobicContact CD1-CD1 4.46Å; L588-I596 HydrophobicContact CD1-CG1 4.46Å; L588-I596 HydrophobicContact CD1-CG2 4.11Å
589E98.6Very high98.6Very high25 Ų2518.7 Ų18.712%0.11713%0.128CC..Hα-helixtrans-61.3-45.5176.8-171.8-171.5-97.900110.9V585 A586 A591 G592 I596 K633 T636V585-E589 PolarHBondContact O-N 2.91Å; A586-E589 PolarHBondContact O-N 3.19Å; E589-A591 PolarHBondContact O-N 3.32Å; E589-G592 PolarHBondContact O-N 3.41Å; E589-I596 HydrophobicContact CB-CD1 4.47Å; E589-K633 WeakPolarHBondContact OE1-CB 3.38Å; E589-K633 PolarHBondContact OE1-N 3.28Å; E589-K633 VanDerWaalsContact OE2-CD 3.25Å; E589-K633 WeakPolarHBondContact OE2-CD 3.39Å; E589-K633 WeakPolarHBondContact OE2-CE 3.09Å; E589-K633 WeakPolarHBondContact OE2-CG 3.44Å; E589-K633 IonicContact OE2-NZ 3.72Å; E589-K633 PolarHBondContact OE2-NZ 2.87Å; E589-T636 WeakPolarHBondContact OE1-CB 3.16Å; E589-T636 PolarHBondContact OE1-OG1 3.3Å
590A98.6Very high98.4Very high83 Ų8318 Ų1869%0.68613%0.125SC*.Hα-helixtrans-61.7-27177.100000112.9A586 D587 L588 G592A586-A590 WeakPolarHBondContact O-CB 3.37Å; A586-A590 PolarHBondContact O-N 3.37Å; D587-A590 PolarHBondContact O-N 2.91Å; L588-A590 PolarHBondContact O-N 2.99Å; A590-G592 PolarHBondContact O-N 3.15Å
591A98.3Very high97.9Very high32 Ų3218.2 Ų18.226%0.26413%0.126SC..THydrogen-bonded Turntrans-80.30.1174.200000114.2V534 D587 L588 E589V534-A591 HydrophobicContact CG1-CB 3.67Å; D587-A591 WeakPolarHBondContact O-CB 3.27Å; D587-A591 PolarHBondContact O-N 3.17Å; L588-A591 WeakPolarHBondContact O-CB 3.35Å; L588-A591 PolarHBondContact O-N 2.92Å; L588-A591 VanDerWaalsContact O-N 3.15Å; E589-A591 PolarHBondContact O-N 3.32Å
592G97.7Very high97.6Very high44 Ų4418.2 Ų18.245%0.45413%0.126SC..THydrogen-bonded Turntrans94.26.3177.500000114.7L588 E589 A590 G594L588-G592 PolarHBondContact O-N 3.42Å; E589-G592 PolarHBondContact O-N 3.41Å; A590-G592 PolarHBondContact O-N 3.15Å; G592-G594 PolarHBondContact O-N 3.5Å
593I98.7Very high97.2Very high1 Ų116.3 Ų16.31%0.00512%0.119CC..  trans-77.3110.9178.3-52.5-56.6000109A537 Q541 L588 I595 I596A537-I593 HydrophobicContact CB-CD1 3.92Å; A537-I593 HydrophobicContact CB-CG1 3.95Å; Q541-I593 HydrophobicContact CB-CD1 3.75Å; Q541-I593 HydrophobicContact CG-CD1 4.19Å; L588-I593 HydrophobicContact CB-CB 4.35Å; L588-I593 HydrophobicContact CD2-CG1 4.08Å; L588-I593 VanDerWaalsContact O-CB 3.29Å; L588-I593 WeakPolarHBondContact O-CB 3.08Å; L588-I593 WeakPolarHBondContact O-CG1 3.29Å; L588-I593 PolarHBondContact O-N 3.44Å; L588-I593 VanDerWaalsContact O-N 3.11Å; I593-I595 WeakPolarHBondContact CG2-O 3.23Å; I593-I596 HydrophobicContact CG2-CG1 4.19Å
594G98.2Very high96.7Very high3 Ų316.9 Ų16.93%0.03112%0.118CC..  trans-89.7-16.7-174.500000115.5R420 F421 G592 T636 Q637R420-G594 VanDerWaalsContact NH2-CA 3.27Å; F421-G594 VanDerWaalsContact CZ-O 3.25Å; F421-G594 WeakPolarHBondContact CZ-O 3.26Å; G592-G594 PolarHBondContact O-N 3.5Å; G594-T636 CarbonylContact O-C 3.59Å; G594-T636 WeakPolarHBondContact O-CA 3.48Å; G594-T636 WeakPolarHBondContact O-CG2 3.35Å; G594-Q637 PolarHBondContact O-N 2.85Å
595I98.9Very high96.1Very high0 Ų017.5 Ų17.50%012%0.121CC..EExtended strand (participates in β ladder)trans-123.3121.1176.9-53-172.6000107F421 V479 P547 K549 G550 I593 Q637 H639F421-I595 HydrophobicContact CD1-CD1 4.27Å; F421-I595 HydrophobicContact CD1-CG1 4.36Å; F421-I595 HydrophobicContact CD2-CD1 4.45Å; F421-I595 HydrophobicContact CE1-CD1 4.19Å; F421-I595 HydrophobicContact CE1-CG1 3.78Å; F421-I595 HydrophobicContact CE2-CD1 4.39Å; F421-I595 HydrophobicContact CE2-CG1 3.97Å; F421-I595 HydrophobicContact CG-CD1 4.43Å; F421-I595 HydrophobicContact CZ-CD1 4.28Å; F421-I595 HydrophobicContact CZ-CG1 3.59Å; V479-I595 HydrophobicContact CG1-CD1 3.78Å; V479-I595 HydrophobicContact CG2-CD1 4.01Å; P547-I595 HydrophobicContact CB-CD1 3.77Å; P547-I595 HydrophobicContact CB-CG1 4.23Å; P547-I595 HydrophobicContact CG-CD1 4.12Å; K549-I595 CarbonylContact C-O 3.58Å; K549-I595 VanDerWaalsContact CA-O 3.3Å; K549-I595 WeakPolarHBondContact CA-O 3.28Å; K549-I595 HydrophobicContact CG-CB 4.4Å; K549-I595 HydrophobicContact CG-CG2 3.9Å; G550-I595 PolarHBondContact N-O 3.46Å; I593-I595 WeakPolarHBondContact CG2-O 3.23Å; I595-Q637 WeakPolarHBondContact CA-O 3.42Å; I595-Q637 HydrophobicContact CB-CB 4.47Å; I595-Q637 HydrophobicContact CG1-CB 4.19Å; I595-Q637 HydrophobicContact CG2-CB 4.14Å; I595-H639 VanDerWaalsContact CG2-CD2 3.48Å; I595-H639 WeakPolarHBondContact CG2-CD2 3.18Å
596I98.9Very high95.7Very high0 Ų018.1 Ų18.10%013%0.127CC..EExtended strand (participates in β ladder)trans-123.9118.8-179.1-59.1171.1000107.6G550 L552 V585 L588 E589 I593 I598 T636 Q637 I638 H639G550-I596 CarbonylContact O-C 3.49Å; G550-I596 WeakPolarHBondContact O-CA 3.38Å; L552-I596 HydrophobicContact CD1-CG2 4.08Å; L552-I596 HydrophobicContact CG-CG2 4.36Å; V585-I596 HydrophobicContact CG1-CD1 3.92Å; V585-I596 HydrophobicContact CG2-CG2 4.43Å; L588-I596 HydrophobicContact CB-CD1 3.76Å; L588-I596 HydrophobicContact CB-CG1 4.27Å; L588-I596 HydrophobicContact CD1-CD1 4.46Å; L588-I596 HydrophobicContact CD1-CG1 4.46Å; L588-I596 HydrophobicContact CD1-CG2 4.11Å; E589-I596 HydrophobicContact CB-CD1 4.47Å; I593-I596 HydrophobicContact CG2-CG1 4.19Å; I596-I598 HydrophobicContact CG2-CG1 4.19Å; I596-T636 HydrophobicContact CD1-CG2 4.19Å; I596-T636 HydrophobicContact CG1-CG2 4.47Å; I596-Q637 PolarHBondContact N-O 3.39Å; I596-I638 HydrophobicContact CB-CD1 4.22Å; I596-I638 CarbonylContact O-C 3.59Å; I596-I638 WeakPolarHBondContact O-CA 3.47Å; I596-H639 PolarHBondContact O-N 2.9Å
597Q98.8Very high95.4Very high0 Ų016.9 Ų16.90%012%0.115CC..EExtended strand (participates in β ladder)trans-98.3129.7176.8-171.4176.1-53.600110.1I431 K549 G550 M551 L552 D599 H639I431-Q597 PolarHBondContact O-NE2 2.81Å; K549-Q597 HydrophobicContact CD-CB 4.36Å; G550-Q597 PolarHBondContact O-N 3.4Å; M551-Q597 HydrophobicContact CE-CB 3.87Å; M551-Q597 HydrophobicContact CE-CG 3.92Å; M551-Q597 HydrophobicContact SD-CB 3.66Å; M551-Q597 HydrophobicContact SD-CG 4.19Å; L552-Q597 PolarHBondContact N-O 3.1Å; Q597-D599 VanDerWaalsContact CG-OD1 3.23Å; Q597-D599 WeakPolarHBondContact CG-OD1 3.27Å; Q597-D599 PolarHBondContact NE2-OD1 3.08Å; Q597-H639 CarbonylContact C-O 3.58Å; Q597-H639 VanDerWaalsContact CA-O 3.29Å; Q597-H639 WeakPolarHBondContact CA-O 3.18Å; Q597-H639 HydrophobicContact CB-CB 3.74Å; Q597-H639 HydrophobicContact CG-CB 3.67Å
598I98.6Very high95.2Very high0 Ų015.8 Ų15.80%011%0.111CC..EExtended strand (participates in β ladder)trans-122.4101.2-178.7-51.9-177.7000107.3L552 V585 I596 F625 N628 A629 I638 H639 T640L552-I598 HydrophobicContact CB-CG1 4.34Å; L552-I598 HydrophobicContact CD1-CG1 4.4Å; L552-I598 WeakPolarHBondContact O-CA 3.37Å; V585-I598 HydrophobicContact CG2-CD1 3.83Å; I596-I598 HydrophobicContact CG2-CG1 4.19Å; I598-F625 HydrophobicContact CB-CE2 3.79Å; I598-F625 HydrophobicContact CB-CZ 4.31Å; I598-F625 HydrophobicContact CG2-CD2 4.06Å; I598-F625 HydrophobicContact CG2-CE2 3.67Å; I598-N628 WeakPolarHBondContact CD1-OD1 3.32Å; I598-N628 WeakPolarHBondContact CG2-ND2 3.49Å; I598-A629 HydrophobicContact CD1-CB 4.19Å; I598-I638 HydrophobicContact CD1-CD1 4.49Å; I598-I638 HydrophobicContact CD1-CG2 4.35Å; I598-H639 PolarHBondContact N-O 3.14Å; I598-T640 WeakPolarHBondContact O-CA 3.48Å; I598-T640 VanDerWaalsContact O-CB 3.27Å; I598-T640 WeakPolarHBondContact O-CB 3.39Å; I598-T640 PolarHBondContact O-OG1 2.87Å
599D96.7Very high95Very high11 Ų1117 Ų176%0.05912%0.117CC..EExtended strand (participates in β ladder)trans-81.5126.8-171.2-67.5-14.9000111.9M490 M551 L552 G554 Q597 P601 H641M490-D599 HydrophobicContact CE-CB 3.74Å; M551-D599 WeakPolarHBondContact CE-OD2 3.45Å; L552-D599 PolarHBondContact O-N 3.33Å; G554-D599 WeakPolarHBondContact CA-O 3.35Å; G554-D599 PolarHBondContact N-O 3.33Å; Q597-D599 VanDerWaalsContact CG-OD1 3.23Å; Q597-D599 WeakPolarHBondContact CG-OD1 3.27Å; Q597-D599 PolarHBondContact NE2-OD1 3.08Å; D599-P601 WeakPolarHBondContact O-CD 3.42Å; D599-H641 HydrophobicContact CB-CB 4.41Å; D599-H641 WeakPolarHBondContact OD1-CB 3.33Å; D599-H641 PolarHBondContact OD1-N 2.91Å
600E94.5Very high94.8Very high1 Ų117.5 Ų17.51%0.00512%0.118CC..  trans-121.952.6176.6-91.7-59.6175.100114.4G554 P555 V556 T557 A602 L603 F625 H641G554-E600 VanDerWaalsContact CA-OE1 3.28Å; G554-E600 WeakPolarHBondContact CA-OE1 3.44Å; P555-E600 WeakPolarHBondContact CD-OE1 3.26Å; P555-E600 VanDerWaalsContact N-OE1 3.11Å; V556-E600 VanDerWaalsContact CA-OE1 3.27Å; V556-E600 WeakPolarHBondContact CA-OE1 3.4Å; V556-E600 WeakPolarHBondContact CB-OE1 3.41Å; V556-E600 WeakPolarHBondContact CB-OE2 3.31Å; V556-E600 PolarHBondContact N-OE1 3.25Å; T557-E600 WeakPolarHBondContact CB-OE2 3.39Å; T557-E600 PolarHBondContact N-OE1 3.06Å; T557-E600 VanDerWaalsContact N-OE1 3.14Å; T557-E600 PolarHBondContact N-OE2 3.16Å; T557-E600 WeakPolarHBondContact OG1-CA 3.44Å; T557-E600 PolarHBondContact OG1-OE2 3.03Å; E600-A602 PolarHBondContact O-N 3.29Å; E600-A602 VanDerWaalsContact O-N 3.15Å; E600-L603 HydrophobicContact CB-CB 4.29Å; E600-L603 PolarHBondContact O-N 3.27Å; E600-F625 HydrophobicContact CG-CD2 3.71Å; E600-F625 HydrophobicContact CG-CE2 4.32Å; E600-H641 PolarHBondContact N-O 2.86Å
601P89Confident94.6Very high5 Ų520.4 Ų20.43%0.03211%0.111CC..THydrogen-bonded Turntrans-63.7-20.4179.228.9-37.8000113.7M490 T557 W561 D599 C643M490-P601 HydrophobicContact CE-CG 4.08Å; T557-P601 HydrophobicContact CG2-CG 3.86Å; T557-P601 VanDerWaalsContact OG1-CD 3.26Å; T557-P601 WeakPolarHBondContact OG1-CD 3.21Å; W561-P601 HydrophobicContact CH2-CB 4.03Å; W561-P601 HydrophobicContact CH2-CG 3.46Å; W561-P601 VanDerWaalsContact CH2-CG 3.46Å; W561-P601 HydrophobicContact CZ2-CB 4.1Å; W561-P601 HydrophobicContact CZ2-CG 3.83Å; W561-P601 HydrophobicContact CZ3-CG 4.16Å; D599-P601 WeakPolarHBondContact O-CD 3.42Å; P601-C643 HydrophobicContact CB-CB 4.13Å
602A91.7Very high94.4Very high0 Ų022.8 Ų22.80%013%0.126CC..THydrogen-bonded Turntrans-95.42.3-179.400000114.3T557 C560 E600 R604 E605 G606T557-A602 HydrophobicContact CG2-CB 4.22Å; T557-A602 WeakPolarHBondContact OG1-CB 3.48Å; T557-A602 PolarHBondContact OG1-N 3.07Å; C560-A602 HydrophobicContact CB-CB 3.55Å; E600-A602 PolarHBondContact O-N 3.29Å; E600-A602 VanDerWaalsContact O-N 3.15Å; A602-R604 VanDerWaalsContact C-N 3.34Å; A602-R604 PolarHBondContact O-N 3.29Å; A602-E605 HydrophobicContact CB-CB 4.17Å; A602-E605 PolarHBondContact O-N 2.79Å; A602-E605 VanDerWaalsContact O-N 3.15Å; A602-G606 PolarHBondContact O-N 2.76Å
603L92.1Very high94.3Very high1 Ų123.1 Ų23.11%0.00512%0.117CC..THydrogen-bonded Turntrans-58.3-45.4179.318064.6000111.3V556 E600 Y617 L657V556-L603 HydrophobicContact CG1-CD1 4.28Å; V556-L603 HydrophobicContact CG2-CD1 4.32Å; E600-L603 HydrophobicContact CB-CB 4.29Å; E600-L603 PolarHBondContact O-N 3.27Å; L603-Y617 HydrophobicContact CD1-CE1 4.31Å; L603-Y617 WeakPolarHBondContact O-CE1 3.29Å; L603-Y617 VanDerWaalsContact O-CZ 3.24Å; L603-Y617 PolarHBondContact O-OH 2.88Å; L603-L657 HydrophobicContact CD2-CD1 4.08Å; L603-L657 HydrophobicContact CD2-CD2 4Å; L603-L657 HydrophobicContact CD2-CG 4.42Å
604R88Confident94.1Very high57 Ų5724.7 Ų24.722%0.21512%0.123CC..THydrogen-bonded Turntrans-75-35.2173.6-169.6-175.1176.5-123.87.1112.3A602 G606 L607 C645 E646 I650A602-R604 VanDerWaalsContact C-N 3.34Å; A602-R604 PolarHBondContact O-N 3.29Å; R604-G606 PolarHBondContact O-N 3.26Å; R604-L607 HydrophobicContact CB-CD1 4.35Å; R604-L607 HydrophobicContact CG-CD1 3.55Å; R604-L607 HydrophobicContact CG-CG 4.5Å; R604-L607 VanDerWaalsContact O-CB 3.23Å; R604-L607 WeakPolarHBondContact O-CB 3.45Å; R604-L607 VanDerWaalsContact O-CG 3.31Å; R604-L607 WeakPolarHBondContact O-CG 3.43Å; R604-L607 PolarHBondContact O-N 2.95Å; R604-C645 HydrophobicContact CB-CB 4.14Å; R604-C645 WeakPolarHBondContact CB-SG 3.31Å; R604-C645 VanDerWaalsContact CD-SG 3.54Å; R604-C645 HydrophobicContact CG-CB 4.36Å; R604-E646 WeakPolarHBondContact CD-O 3.1Å; R604-E646 VanDerWaalsContact CZ-N 3.3Å; R604-E646 PolarHBondContact NE-O 2.71Å; R604-E646 PolarHBondContact NH2-O 3.04Å; R604-I650 HydrophobicContact CB-CD1 3.76Å; R604-I650 HydrophobicContact CG-CD1 3.9Å
605E85.5Confident94Very high13 Ų1330.8 Ų30.86%0.06116%0.155CC..THydrogen-bonded Turntrans-57.9-36.4178.7-179.5-177.5151.800112.1K117 N122 W561 A602 L607K117-E605 HydrophobicContact CD-CG 4.21Å; K117-E605 VanDerWaalsContact CE-OE2 3.26Å; K117-E605 WeakPolarHBondContact CE-OE2 3.44Å; K117-E605 IonicContact NZ-OE1 2.92Å; K117-E605 IonicContact NZ-OE2 3.57Å; K117-E605 PolarHBondContact NZ-OE2 3.03Å; N122-E605 VanDerWaalsContact CA-OE1 3.29Å; N122-E605 WeakPolarHBondContact CA-OE1 3.44Å; N122-E605 WeakPolarHBondContact CB-OE1 3.47Å; N122-E605 PolarHBondContact N-OE1 2.92Å; W561-E605 PolarHBondContact NE1-OE1 3.14Å; W561-E605 PolarHBondContact NE1-OE2 2.77Å; A602-E605 HydrophobicContact CB-CB 4.17Å; A602-E605 PolarHBondContact O-N 2.79Å; A602-E605 VanDerWaalsContact O-N 3.15Å; E605-L607 PolarHBondContact O-N 2.72Å
606G90.4Very high93.9Very high13 Ų1333.9 Ų33.913%0.13418%0.181CC..THydrogen-bonded Turntrans-75.9-2.8178.500000114.8A602 R604 Y617A602-G606 PolarHBondContact O-N 2.76Å; R604-G606 PolarHBondContact O-N 3.26Å; G606-Y617 VanDerWaalsContact CA-OH 3.27Å; G606-Y617 WeakPolarHBondContact CA-OH 3.2Å; G606-Y617 WeakPolarHBondContact O-CD2 3.49Å; G606-Y617 WeakPolarHBondContact O-CE2 3.37Å
607L92.8Very high93.8Very high10 Ų1034.3 Ų34.35%0.05218%0.183CC..  trans-56.6136.8178.4-78.9168.5000111.1N120 R604 E605 W614 Y617 L618 I650N120-L607 WeakPolarHBondContact CB-O 3.36Å; R604-L607 HydrophobicContact CB-CD1 4.35Å; R604-L607 HydrophobicContact CG-CD1 3.55Å; R604-L607 HydrophobicContact CG-CG 4.5Å; R604-L607 VanDerWaalsContact O-CB 3.23Å; R604-L607 WeakPolarHBondContact O-CB 3.45Å; R604-L607 VanDerWaalsContact O-CG 3.31Å; R604-L607 WeakPolarHBondContact O-CG 3.43Å; R604-L607 PolarHBondContact O-N 2.95Å; E605-L607 PolarHBondContact O-N 2.72Å; L607-W614 HydrophobicContact CD1-CD2 4.16Å; L607-W614 HydrophobicContact CD1-CE3 4.14Å; L607-W614 HydrophobicContact CD1-CH2 3.89Å; L607-W614 HydrophobicContact CD1-CZ2 3.91Å; L607-W614 HydrophobicContact CD1-CZ3 3.96Å; L607-W614 HydrophobicContact CD2-CB 4.11Å; L607-W614 HydrophobicContact CD2-CD2 3.75Å; L607-W614 HydrophobicContact CD2-CE3 4.09Å; L607-W614 HydrophobicContact CD2-CG 3.72Å; L607-W614 HydrophobicContact CG-CD2 4.47Å; L607-Y617 HydrophobicContact CD2-CD1 3.52Å; L607-Y617 HydrophobicContact CD2-CE1 3.84Å; L607-Y617 HydrophobicContact CG-CD1 4.2Å; L607-Y617 HydrophobicContact CG-CE1 4.06Å; L607-L618 HydrophobicContact CD2-CD1 4.11Å; L607-L618 HydrophobicContact CD2-CD2 3.86Å; L607-L618 HydrophobicContact CD2-CG 3.86Å; L607-I650 HydrophobicContact CD1-CG2 3.91Å
608P94.9Very high93.7Very high32 Ų3234.8 Ų34.821%0.20819%0.185CC..  trans-54.5153.7163.2-25.336.3000111R610 D613 W614 Y617P608-R610 VanDerWaalsContact C-N 3.31Å; P608-R610 PolarHBondContact O-N 3.09Å; P608-D613 HydrophobicContact CB-CB 3.6Å; P608-D613 HydrophobicContact CG-CB 3.94Å; P608-W614 PolarHBondContact O-NE1 3.09Å; P608-Y617 HydrophobicContact CG-CG 4.41Å
609L94.8Very high93.7Very high25 Ų2541.7 Ų41.713%0.13122%0.217CC..SBendtrans-73.2-25.3-177.3-67.5-171.8000113.6F119 N120 V214 L215 F244 E245F119-L609 HydrophobicContact CB-CD1 4.39Å; F119-L609 HydrophobicContact CB-CD2 3.87Å; F119-L609 HydrophobicContact CD1-CD1 3.97Å; F119-L609 HydrophobicContact CD1-CD2 4.02Å; F119-L609 HydrophobicContact CG-CD2 4.47Å; N120-L609 HydrophobicContact CB-CD2 3.73Å; N120-L609 HydrophobicContact CB-CG 4.42Å; V214-L609 HydrophobicContact CG2-CD1 3.57Å; L215-L609 HydrophobicContact CD2-CB 3.79Å; L215-L609 HydrophobicContact CD2-CD1 4.42Å; L215-L609 HydrophobicContact CD2-CD2 4.43Å; L215-L609 HydrophobicContact CD2-CG 4.44Å; F244-L609 HydrophobicContact CB-CD1 3.6Å; F244-L609 HydrophobicContact CD2-CD1 4.47Å; E245-L609 HydrophobicContact CB-CB 4.5Å; E245-L609 HydrophobicContact CB-CD1 4.18Å
610R94.8Very high93.7Very high36 Ų3642.6 Ų42.614%0.13622%0.22CC..SBendtrans-95.3132.8177.2-61.7-179.2-173.3160.54.1109.5V214 E216 E245 G246 P249 P608 S612 D613 W614V214-R610 PolarHBondContact O-NE 2.83Å; E216-R610 HydrophobicContact CG-CB 4.09Å; E216-R610 HydrophobicContact CG-CG 4.18Å; E245-R610 HydrophobicContact CG-CG 4.39Å; E245-R610 IonicContact OE1-CZ 2.66Å; E245-R610 IonicContact OE1-NH2 3.86Å; G246-R610 VanDerWaalsContact C-NH2 3.32Å; G246-R610 PolarHBondContact O-NH2 3.27Å; P249-R610 VanDerWaalsContact CD-NH2 3.27Å; P249-R610 VanDerWaalsContact CG-CZ 3.5Å; P608-R610 VanDerWaalsContact C-N 3.31Å; P608-R610 PolarHBondContact O-N 3.09Å; R610-S612 PolarHBondContact O-N 3.33Å; R610-D613 PolarHBondContact O-N 2.84Å; R610-D613 VanDerWaalsContact O-N 3.1Å; R610-W614 PolarHBondContact O-NE1 2.95Å
611R92.7Very high93.8Very high145 Ų14542.5 Ų42.555%0.54722%0.22SC..G310 helixtrans-61.9-35.6179.9-172.8-178.7-179111.31.8110.9E216 D613 W614 D649E216-R611 WeakPolarHBondContact OE2-CA 3.31Å; E216-R611 VanDerWaalsContact OE2-CB 3.3Å; E216-R611 WeakPolarHBondContact OE2-CB 3.49Å; E216-R611 PolarHBondContact OE2-N 2.95Å; R611-D613 PolarHBondContact O-N 3.16Å; R611-D613 VanDerWaalsContact O-N 3.12Å; R611-W614 HydrophobicContact CG-CD2 4.32Å; R611-W614 HydrophobicContact CG-CE3 4.49Å; R611-W614 VanDerWaalsContact O-CB 3.27Å; R611-W614 WeakPolarHBondContact O-CB 3.27Å; R611-W614 PolarHBondContact O-N 3.46Å; R611-D649 IonicContact NH1-OD1 3.27Å; R611-D649 PolarHBondContact NH1-OD1 3.01Å
612S94.9Very high94.2Very high81 Ų8142.8 Ų42.857%0.56622%0.221SC*.G310 helixtrans-58-21.6175.652.30000114.9E216 R610E216-S612 WeakPolarHBondContact OE1-CB 3.43Å; E216-S612 PolarHBondContact OE1-OG 3.46Å; E216-S612 PolarHBondContact OE2-N 2.94Å; R610-S612 PolarHBondContact O-N 3.33Å
613D94.6Very high94.6Very high52 Ų5244.9 Ų44.928%0.27823%0.231SC..G310 helixtrans-96.2-2.9177.8-69.6-52.2000113.1P608 R610 R611P608-D613 HydrophobicContact CB-CB 3.6Å; P608-D613 HydrophobicContact CG-CB 3.94Å; R610-D613 PolarHBondContact O-N 2.84Å; R610-D613 VanDerWaalsContact O-N 3.1Å; R611-D613 PolarHBondContact O-N 3.16Å; R611-D613 VanDerWaalsContact O-N 3.12Å
614W95.2Very high94.9Very high33 Ų3344.9 Ų44.913%0.12523%0.231CC..Hα-helixtrans-68.3-44.5-172.6-74.614.1000113.5L607 P608 R610 R611 A616 Y617 L618 D649 I650L607-W614 HydrophobicContact CD1-CD2 4.16Å; L607-W614 HydrophobicContact CD1-CE3 4.14Å; L607-W614 HydrophobicContact CD1-CH2 3.89Å; L607-W614 HydrophobicContact CD1-CZ2 3.91Å; L607-W614 HydrophobicContact CD1-CZ3 3.96Å; L607-W614 HydrophobicContact CD2-CB 4.11Å; L607-W614 HydrophobicContact CD2-CD2 3.75Å; L607-W614 HydrophobicContact CD2-CE3 4.09Å; L607-W614 HydrophobicContact CD2-CG 3.72Å; L607-W614 HydrophobicContact CG-CD2 4.47Å; P608-W614 PolarHBondContact O-NE1 3.09Å; R610-W614 PolarHBondContact O-NE1 2.95Å; R611-W614 HydrophobicContact CG-CD2 4.32Å; R611-W614 HydrophobicContact CG-CE3 4.49Å; R611-W614 VanDerWaalsContact O-CB 3.27Å; R611-W614 WeakPolarHBondContact O-CB 3.27Å; R611-W614 PolarHBondContact O-N 3.46Å; W614-A616 VanDerWaalsContact C-N 3.29Å; W614-A616 PolarHBondContact O-N 2.86Å; W614-Y617 WeakPolarHBondContact O-CA 3.4Å; W614-Y617 WeakPolarHBondContact O-CB 3.4Å; W614-Y617 PolarHBondContact O-N 3.1Å; W614-L618 HydrophobicContact CB-CD1 4.12Å; W614-L618 WeakPolarHBondContact O-CB 3.49Å; W614-L618 WeakPolarHBondContact O-CG 3.36Å; W614-L618 PolarHBondContact O-N 3.35Å; W614-D649 HydrophobicContact CH2-CB 3.73Å; W614-D649 HydrophobicContact CZ3-CB 3.35Å; W614-I650 HydrophobicContact CE3-CG2 3.9Å; W614-I650 HydrophobicContact CZ3-CG2 3.65Å
615D96.1Very high95.4Very high131 Ų13142.2 Ų42.270%0.70122%0.221SC*.Hα-helixtrans-57.3-44-173.8-69.5-13.1000111.7Y617 L618 Q619D615-Y617 VanDerWaalsContact C-N 3.34Å; D615-Y617 PolarHBondContact O-N 3.34Å; D615-L618 PolarHBondContact O-N 3.46Å; D615-Q619 VanDerWaalsContact O-CB 3.27Å; D615-Q619 WeakPolarHBondContact O-CB 3.37Å; D615-Q619 PolarHBondContact O-N 2.9Å
616A96.8Very high96Very high66 Ų6644.5 Ų44.555%0.54523%0.229SC..Hα-helixtrans-62.1-42.3177.800000111.7W614W614-A616 VanDerWaalsContact C-N 3.29Å; W614-A616 PolarHBondContact O-N 2.86Å
617Y97.5Very high96.4Very high9 Ų943.9 Ų43.94%0.03522%0.222CC..Hα-helixtrans-65.3-50.5176.3167-92.1000112.4V556 L603 G606 L607 P608 W614 D615 Q619 W620 G621V556-Y617 VanDerWaalsContact CG1-OH 3.32Å; V556-Y617 WeakPolarHBondContact CG1-OH 3.27Å; L603-Y617 HydrophobicContact CD1-CE1 4.31Å; L603-Y617 WeakPolarHBondContact O-CE1 3.29Å; L603-Y617 VanDerWaalsContact O-CZ 3.24Å; L603-Y617 PolarHBondContact O-OH 2.88Å; G606-Y617 VanDerWaalsContact CA-OH 3.27Å; G606-Y617 WeakPolarHBondContact CA-OH 3.2Å; G606-Y617 WeakPolarHBondContact O-CD2 3.49Å; G606-Y617 WeakPolarHBondContact O-CE2 3.37Å; L607-Y617 HydrophobicContact CD2-CD1 3.52Å; L607-Y617 HydrophobicContact CD2-CE1 3.84Å; L607-Y617 HydrophobicContact CG-CD1 4.2Å; L607-Y617 HydrophobicContact CG-CE1 4.06Å; P608-Y617 HydrophobicContact CG-CG 4.41Å; W614-Y617 WeakPolarHBondContact O-CA 3.4Å; W614-Y617 WeakPolarHBondContact O-CB 3.4Å; W614-Y617 PolarHBondContact O-N 3.1Å; D615-Y617 VanDerWaalsContact C-N 3.34Å; D615-Y617 PolarHBondContact O-N 3.34Å; Y617-Q619 VanDerWaalsContact C-N 3.28Å; Y617-Q619 PolarHBondContact O-N 3.45Å; Y617-W620 AromaticContact CD2-CE2 3.76Å; Y617-W620 AromaticContact CD2-CH2 3.89Å; Y617-W620 HydrophobicContact CD2-CH2 3.89Å; Y617-W620 AromaticContact CD2-CZ2 3.24Å; Y617-W620 HydrophobicContact CD2-CZ2 3.24Å; Y617-W620 AromaticContact CE2-CH2 3.55Å; Y617-W620 HydrophobicContact CE2-CH2 3.55Å; Y617-W620 AromaticContact CE2-CZ2 3.42Å; Y617-W620 HydrophobicContact CE2-CZ2 3.42Å; Y617-W620 VanDerWaalsContact CE2-CZ2 3.42Å; Y617-W620 HydrophobicContact CG-CZ2 4.33Å; Y617-W620 PolarHBondContact O-N 3.27Å; Y617-G621 PolarHBondContact O-N 3.45Å
618L97Very high96.6Very high9 Ų943.4 Ų43.45%0.04722%0.22CC..Hα-helixtrans-63.9-37.1-176.3-71.9169.4000110.9L607 W614 D615 G621 V622 I650 S653L607-L618 HydrophobicContact CD2-CD1 4.11Å; L607-L618 HydrophobicContact CD2-CD2 3.86Å; L607-L618 HydrophobicContact CD2-CG 3.86Å; W614-L618 HydrophobicContact CB-CD1 4.12Å; W614-L618 WeakPolarHBondContact O-CB 3.49Å; W614-L618 WeakPolarHBondContact O-CG 3.36Å; W614-L618 PolarHBondContact O-N 3.35Å; D615-L618 PolarHBondContact O-N 3.46Å; L618-G621 PolarHBondContact O-N 3.23Å; L618-V622 VanDerWaalsContact O-CB 3.26Å; L618-V622 WeakPolarHBondContact O-CB 3.28Å; L618-V622 WeakPolarHBondContact O-CG2 3.3Å; L618-V622 PolarHBondContact O-N 3.09Å; L618-I650 HydrophobicContact CD1-CG2 3.87Å; L618-I650 HydrophobicContact CD2-CG2 4.25Å; L618-S653 WeakPolarHBondContact CB-OG 3.39Å; L618-S653 WeakPolarHBondContact CD1-OG 3.47Å
619Q97.2Very high96.7Very high146 Ų14642.1 Ų42.168%0.68221%0.212SC*.Hα-helixtrans-56.2-56175.8-177.7179.5-700111.9D615 Y617 E623D615-Q619 VanDerWaalsContact O-CB 3.27Å; D615-Q619 WeakPolarHBondContact O-CB 3.37Å; D615-Q619 PolarHBondContact O-N 2.9Å; Y617-Q619 VanDerWaalsContact C-N 3.28Å; Y617-Q619 PolarHBondContact O-N 3.45Å; Q619-E623 WeakPolarHBondContact O-CB 3.48Å; Q619-E623 PolarHBondContact O-N 2.96Å
620W97.5Very high96.9Very high29 Ų2941.5 Ų41.511%0.1121%0.21CC..Hα-helixtrans-75.2-30.1-178.670.1-109.6000112.6V556 L559 R570 E571 A574 Y617 E623 A624V556-W620 HydrophobicContact CG2-CZ3 4.15Å; L559-W620 HydrophobicContact CD2-CH2 3.95Å; L559-W620 HydrophobicContact CD2-CZ3 4.25Å; R570-W620 HydrophobicContact CB-CH2 4.22Å; R570-W620 HydrophobicContact CB-CZ2 4.06Å; E571-W620 HydrophobicContact CB-CB 4.24Å; E571-W620 HydrophobicContact CB-CD2 3.92Å; E571-W620 HydrophobicContact CB-CE3 4.37Å; E571-W620 HydrophobicContact CB-CG 3.84Å; E571-W620 HydrophobicContact CG-CB 3.78Å; E571-W620 HydrophobicContact CG-CD2 4.38Å; E571-W620 HydrophobicContact CG-CG 3.95Å; A574-W620 HydrophobicContact CB-CE3 3.89Å; A574-W620 HydrophobicContact CB-CZ3 3.51Å; Y617-W620 AromaticContact CD2-CE2 3.76Å; Y617-W620 AromaticContact CD2-CH2 3.89Å; Y617-W620 HydrophobicContact CD2-CH2 3.89Å; Y617-W620 AromaticContact CD2-CZ2 3.24Å; Y617-W620 HydrophobicContact CD2-CZ2 3.24Å; Y617-W620 AromaticContact CE2-CH2 3.55Å; Y617-W620 HydrophobicContact CE2-CH2 3.55Å; Y617-W620 AromaticContact CE2-CZ2 3.42Å; Y617-W620 HydrophobicContact CE2-CZ2 3.42Å; Y617-W620 VanDerWaalsContact CE2-CZ2 3.42Å; Y617-W620 HydrophobicContact CG-CZ2 4.33Å; Y617-W620 PolarHBondContact O-N 3.27Å; W620-E623 PolarHBondContact O-N 2.95Å; W620-A624 WeakPolarHBondContact O-CB 3.2Å; W620-A624 PolarHBondContact O-N 3.35Å
621G97.5Very high97.1Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-63.9-46.2177.500000111.6Y617 L618 A624 F625Y617-G621 PolarHBondContact O-N 3.45Å; L618-G621 PolarHBondContact O-N 3.23Å; G621-A624 PolarHBondContact O-N 2.93Å; G621-F625 PolarHBondContact O-N 3.19Å; G621-F625 VanDerWaalsContact O-N 3.15Å
622V97.5Very high97.3Very high11 Ų1135.3 Ų35.37%0.06719%0.193CC..Hα-helixtrans-64.7-44.6173.4169.90000110.9L618 A624 F625 R626 S653 A656 L657L618-V622 VanDerWaalsContact O-CB 3.26Å; L618-V622 WeakPolarHBondContact O-CB 3.28Å; L618-V622 WeakPolarHBondContact O-CG2 3.3Å; L618-V622 PolarHBondContact O-N 3.09Å; V622-A624 VanDerWaalsContact C-N 3.33Å; V622-A624 PolarHBondContact O-N 3.34Å; V622-F625 PolarHBondContact O-N 3.29Å; V622-R626 HydrophobicContact CG1-CG 4.27Å; V622-R626 WeakPolarHBondContact O-CB 3.38Å; V622-R626 VanDerWaalsContact O-CG 3.27Å; V622-R626 WeakPolarHBondContact O-CG 3.46Å; V622-R626 PolarHBondContact O-N 2.78Å; V622-S653 WeakPolarHBondContact CG2-O 3.43Å; V622-A656 HydrophobicContact CG1-CB 3.83Å; V622-A656 VanDerWaalsContact CG1-O 3.31Å; V622-A656 WeakPolarHBondContact CG1-O 3.35Å; V622-A656 HydrophobicContact CG2-CB 4.44Å; V622-L657 HydrophobicContact CB-CD2 4.32Å; V622-L657 HydrophobicContact CG1-CD2 4.34Å; V622-L657 HydrophobicContact CG2-CD2 3.96Å
623E98.3Very high97.5Very high44 Ų4437.4 Ų37.421%0.20619%0.192CC..Hα-helixtrans-58.2-44.6176.7-170.3-169.5175.800111.5K575 Q619 W620 F625 R626 I627K575-E623 WeakPolarHBondContact CE-OE2 3.3Å; K575-E623 IonicContact NZ-OE1 2.9Å; K575-E623 PolarHBondContact NZ-OE1 3.47Å; K575-E623 IonicContact NZ-OE2 3.52Å; K575-E623 PolarHBondContact NZ-OE2 2.99Å; Q619-E623 WeakPolarHBondContact O-CB 3.48Å; Q619-E623 PolarHBondContact O-N 2.96Å; W620-E623 PolarHBondContact O-N 2.95Å; E623-F625 PolarHBondContact O-N 3.45Å; E623-R626 PolarHBondContact O-N 2.51Å; E623-I627 HydrophobicContact CG-CD1 4.05Å; E623-I627 HydrophobicContact CG-CG1 4.46Å; E623-I627 VanDerWaalsContact O-CG1 3.29Å; E623-I627 WeakPolarHBondContact O-CG1 3.3Å; E623-I627 PolarHBondContact O-N 2.77Å
624A98.4Very high97.7Very high0 Ų036.5 Ų36.50%019%0.187CC..Hα-helixtrans-61.7-44.8178.700000112P555 V556 A574 A578 W620 G621 V622 I627P555-A624 HydrophobicContact CG-CB 3.98Å; P555-A624 WeakPolarHBondContact CG-O 3.46Å; V556-A624 HydrophobicContact CG2-CB 4.38Å; A574-A624 HydrophobicContact CB-CB 3.97Å; A578-A624 HydrophobicContact CB-CB 4.31Å; A578-A624 WeakPolarHBondContact CB-O 3.32Å; W620-A624 WeakPolarHBondContact O-CB 3.2Å; W620-A624 PolarHBondContact O-N 3.35Å; G621-A624 PolarHBondContact O-N 2.93Å; V622-A624 VanDerWaalsContact C-N 3.33Å; V622-A624 PolarHBondContact O-N 3.34Å; A624-I627 PolarHBondContact O-N 2.95Å
625F98.5Very high97.8Very high1 Ų137.9 Ų37.90%0.00420%0.197CC..Hα-helixtrans-57.5-51.3171.3178-90.7000110.5I598 E600 G621 V622 E623 I627 N628 A629 I638 L657 A659I598-F625 HydrophobicContact CB-CE2 3.79Å; I598-F625 HydrophobicContact CB-CZ 4.31Å; I598-F625 HydrophobicContact CG2-CD2 4.06Å; I598-F625 HydrophobicContact CG2-CE2 3.67Å; E600-F625 HydrophobicContact CG-CD2 3.71Å; E600-F625 HydrophobicContact CG-CE2 4.32Å; G621-F625 PolarHBondContact O-N 3.19Å; G621-F625 VanDerWaalsContact O-N 3.15Å; V622-F625 PolarHBondContact O-N 3.29Å; E623-F625 PolarHBondContact O-N 3.45Å; F625-I627 VanDerWaalsContact C-N 3.3Å; F625-I627 PolarHBondContact O-N 3.24Å; F625-N628 PolarHBondContact O-N 3.46Å; F625-N628 PolarHBondContact O-OD1 3.44Å; F625-A629 HydrophobicContact CD1-CB 4.5Å; F625-A629 HydrophobicContact CE1-CB 4.1Å; F625-A629 PolarHBondContact O-N 3.41Å; F625-I638 HydrophobicContact CZ-CG2 4.19Å; F625-L657 HydrophobicContact CB-CD2 3.76Å; F625-L657 HydrophobicContact CD1-CB 3.89Å; F625-L657 HydrophobicContact CD1-CD2 3.73Å; F625-L657 HydrophobicContact CD1-CG 4.34Å; F625-L657 HydrophobicContact CD2-CD2 4.45Å; F625-L657 HydrophobicContact CE1-CB 3.92Å; F625-L657 HydrophobicContact CE1-CD2 4.47Å; F625-L657 WeakPolarHBondContact CE1-O 3.47Å; F625-L657 HydrophobicContact CG-CD2 3.73Å; F625-A659 HydrophobicContact CZ-CB 4.41Å
626R98.5Very high98Very high61 Ų6131.6 Ų31.623%0.2316%0.164CC..Hα-helixtrans-62.5-34.5-176.7-70.2172.267.7145.70.5113.6S404 V622 E623 N628 A629 A630 A656S404-R626 WeakPolarHBondContact O-CB 3.31Å; S404-R626 VanDerWaalsContact O-CZ 3.25Å; S404-R626 PolarHBondContact O-NE 2.96Å; S404-R626 PolarHBondContact O-NH2 2.8Å; V622-R626 HydrophobicContact CG1-CG 4.27Å; V622-R626 WeakPolarHBondContact O-CB 3.38Å; V622-R626 VanDerWaalsContact O-CG 3.27Å; V622-R626 WeakPolarHBondContact O-CG 3.46Å; V622-R626 PolarHBondContact O-N 2.78Å; E623-R626 PolarHBondContact O-N 2.51Å; R626-N628 PolarHBondContact O-N 2.88Å; R626-A629 PolarHBondContact O-N 3.3Å; R626-A630 WeakPolarHBondContact O-CB 3.43Å; R626-A630 PolarHBondContact O-N 3.22Å; R626-A656 WeakPolarHBondContact CD-O 3.41Å; R626-A656 PolarHBondContact NH1-O 2.82Å
627I98.7Very high98.1Very high0 Ų028.7 Ų28.70%014%0.139CC..Hα-helixtrans-57.2-35.4175.2-74.2162.7000111.3I399 K575 A578 L579 R582 E623 A624 F625I399-I627 HydrophobicContact CD1-CD1 4.23Å; I399-I627 HydrophobicContact CG2-CD1 4.12Å; K575-I627 HydrophobicContact CG-CD1 4.28Å; A578-I627 HydrophobicContact CB-CB 3.97Å; A578-I627 HydrophobicContact CB-CG2 3.81Å; L579-I627 HydrophobicContact CD2-CG2 4.06Å; L579-I627 HydrophobicContact CG-CG2 4.39Å; R582-I627 VanDerWaalsContact CD-O 3.3Å; R582-I627 WeakPolarHBondContact CD-O 3.48Å; R582-I627 VanDerWaalsContact CG-O 3.32Å; R582-I627 WeakPolarHBondContact CG-O 3.27Å; R582-I627 PolarHBondContact NH1-O 3.42Å; E623-I627 HydrophobicContact CG-CD1 4.05Å; E623-I627 HydrophobicContact CG-CG1 4.46Å; E623-I627 VanDerWaalsContact O-CG1 3.29Å; E623-I627 WeakPolarHBondContact O-CG1 3.3Å; E623-I627 PolarHBondContact O-N 2.77Å; A624-I627 PolarHBondContact O-N 2.95Å; F625-I627 VanDerWaalsContact C-N 3.3Å; F625-I627 PolarHBondContact O-N 3.24Å
628N97.4Very high98.1Very high0 Ų028.3 Ų28.30%014%0.137CC..Hα-helixtrans-80.1-37.3176.981.211.2000112.7P555 L581 I598 F625 R626P555-N628 WeakPolarHBondContact CD-ND2 3.31Å; L581-N628 HydrophobicContact CB-CB 3.89Å; I598-N628 WeakPolarHBondContact CD1-OD1 3.32Å; I598-N628 WeakPolarHBondContact CG2-ND2 3.49Å; F625-N628 PolarHBondContact O-N 3.46Å; F625-N628 PolarHBondContact O-OD1 3.44Å; R626-N628 PolarHBondContact O-N 2.88Å
629A97.8Very high98.2Very high6 Ų627.9 Ų27.95%0.0514%0.135CC..Hα-helixtrans-82.4-32.8-172.300000113.2I598 F625 R626 V631 A632 I638I598-A629 HydrophobicContact CD1-CB 4.19Å; F625-A629 HydrophobicContact CD1-CB 4.5Å; F625-A629 HydrophobicContact CE1-CB 4.1Å; F625-A629 PolarHBondContact O-N 3.41Å; R626-A629 PolarHBondContact O-N 3.3Å; A629-V631 PolarHBondContact O-N 3.08Å; A629-A632 WeakPolarHBondContact O-CB 3.5Å; A629-A632 PolarHBondContact O-N 3.12Å; A629-A632 VanDerWaalsContact O-N 3.11Å; A629-I638 HydrophobicContact CB-CG1 4.27Å; A629-I638 HydrophobicContact CB-CG2 4.05Å
630A98.3Very high98.2Very high11 Ų1120.9 Ų20.99%0.09110%0.102CC..THydrogen-bonded Turntrans-64.2-15.7-171.500000114.5D403 R626 A632D403-A630 VanDerWaalsContact O-CB 3.28Å; D403-A630 WeakPolarHBondContact O-CB 3.46Å; R626-A630 WeakPolarHBondContact O-CB 3.43Å; R626-A630 PolarHBondContact O-N 3.22Å; A630-A632 VanDerWaalsContact C-N 3.26Å; A630-A632 PolarHBondContact O-N 3.4Å
631V98.1Very high98.1Very high46 Ų4619.7 Ų19.728%0.27910%0.098SC..THydrogen-bonded Turntrans-72.9-18.9176.974.30000113R582 V585 A586 A629R582-V631 HydrophobicContact CG-CB 3.87Å; R582-V631 HydrophobicContact CG-CG1 3.96Å; R582-V631 HydrophobicContact CG-CG2 4.33Å; V585-V631 HydrophobicContact CB-CG1 3.86Å; V585-V631 HydrophobicContact CG1-CG1 3.57Å; A586-V631 HydrophobicContact CB-CG1 4.34Å; A586-V631 HydrophobicContact CB-CG2 4.12Å; A629-V631 PolarHBondContact O-N 3.08Å
632A98.5Very high97.5Very high5 Ų520 Ų204%0.04110%0.099CC..SBendtrans-72.7139.8-177.900000112.6R406 V585 A629 A630 T636 I638R406-A632 PolarHBondContact NE-O 3.18Å; R406-A632 VanDerWaalsContact NE-O 3.07Å; V585-A632 HydrophobicContact CG1-CB 4.35Å; A629-A632 WeakPolarHBondContact O-CB 3.5Å; A629-A632 PolarHBondContact O-N 3.12Å; A629-A632 VanDerWaalsContact O-N 3.11Å; A630-A632 VanDerWaalsContact C-N 3.26Å; A630-A632 PolarHBondContact O-N 3.4Å; A632-T636 HydrophobicContact CB-CG2 3.98Å; A632-I638 HydrophobicContact CB-CD1 3.78Å; A632-I638 HydrophobicContact CB-CG1 4.12Å
633K98.5Very high96.6Very high125 Ų12519.7 Ų19.754%0.54310%0.098SC..  trans-66.5164174.6-67171.4-169133.30111.7R406 E589 D635 T636R406-K633 PolarHBondContact NH2-O 3.43Å; E589-K633 WeakPolarHBondContact OE1-CB 3.38Å; E589-K633 PolarHBondContact OE1-N 3.28Å; E589-K633 VanDerWaalsContact OE2-CD 3.25Å; E589-K633 WeakPolarHBondContact OE2-CD 3.39Å; E589-K633 WeakPolarHBondContact OE2-CE 3.09Å; E589-K633 WeakPolarHBondContact OE2-CG 3.44Å; E589-K633 IonicContact OE2-NZ 3.72Å; E589-K633 PolarHBondContact OE2-NZ 2.87Å; K633-D635 VanDerWaalsContact C-N 3.27Å; K633-D635 WeakPolarHBondContact CB-OD1 3.37Å; K633-D635 PolarHBondContact O-N 3.22Å; K633-T636 WeakPolarHBondContact O-CB 3.41Å; K633-T636 PolarHBondContact O-N 3.11Å; K633-T636 VanDerWaalsContact O-N 3.09Å
634D98.5Very high94.8Very high33 Ų3319.4 Ų19.418%0.17610%0.095CC..THydrogen-bonded Turntrans-63.8-32.1-177.1-64.8-22.7000113.2N408 R413 A416 Q417 T636N408-D634 PolarHBondContact ND2-OD2 2.76Å; R413-D634 HydrophobicContact CB-CB 4.35Å; R413-D634 HydrophobicContact CG-CB 3.96Å; A416-D634 HydrophobicContact CB-CB 4.5Å; Q417-D634 WeakPolarHBondContact CG-O 3.34Å; Q417-D634 PolarHBondContact NE2-O 2.82Å; D634-T636 VanDerWaalsContact C-N 3.26Å; D634-T636 PolarHBondContact O-N 2.95Å
635D98.2Very high93Very high62 Ų6220 Ų2033%0.33210%0.099SC..THydrogen-bonded Turntrans-83.82.8177.473.7-30.8000113.6A416 R420 K633A416-D635 HydrophobicContact CB-CB 4.13Å; R420-D635 WeakPolarHBondContact CD-O 3.4Å; R420-D635 PolarHBondContact NH1-O 3.14Å; R420-D635 IonicContact NH1-OD1 3.97Å; R420-D635 IonicContact NH1-OD2 2.63Å; K633-D635 VanDerWaalsContact C-N 3.27Å; K633-D635 WeakPolarHBondContact CB-OD1 3.37Å; K633-D635 PolarHBondContact O-N 3.22Å
636T98.8Very high91.4Very high0 Ų023.2 Ų23.20%011%0.114CC..SBendtrans-98.3128.2169.6-62.80000108.9R406 Q417 E589 G594 I596 A632 K633 D634R406-T636 PolarHBondContact NH2-O 2.95Å; Q417-T636 PolarHBondContact NE2-O 3.48Å; E589-T636 WeakPolarHBondContact OE1-CB 3.16Å; E589-T636 PolarHBondContact OE1-OG1 3.3Å; G594-T636 CarbonylContact O-C 3.59Å; G594-T636 WeakPolarHBondContact O-CA 3.48Å; G594-T636 WeakPolarHBondContact O-CG2 3.35Å; I596-T636 HydrophobicContact CD1-CG2 4.19Å; I596-T636 HydrophobicContact CG1-CG2 4.47Å; A632-T636 HydrophobicContact CB-CG2 3.98Å; K633-T636 WeakPolarHBondContact O-CB 3.41Å; K633-T636 PolarHBondContact O-N 3.11Å; K633-T636 VanDerWaalsContact O-N 3.09Å; D634-T636 VanDerWaalsContact C-N 3.26Å; D634-T636 PolarHBondContact O-N 2.95Å
637Q98.7Very high90.2Very high5 Ų520.4 Ų20.42%0.02310%0.104CC..EExtended strand (participates in β ladder)trans-86.7125.7174.9-86.2-171.2-0.700110.9Q417 F421 G594 I595 I596 H639 D660Q417-Q637 HydrophobicContact CB-CG 3.87Å; Q417-Q637 HydrophobicContact CG-CG 3.57Å; Q417-Q637 VanDerWaalsContact OE1-CG 3.27Å; F421-Q637 HydrophobicContact CD2-CG 4.39Å; F421-Q637 HydrophobicContact CE2-CB 4.32Å; F421-Q637 HydrophobicContact CE2-CG 3.97Å; G594-Q637 PolarHBondContact O-N 2.85Å; I595-Q637 WeakPolarHBondContact CA-O 3.42Å; I595-Q637 HydrophobicContact CB-CB 4.47Å; I595-Q637 HydrophobicContact CG1-CB 4.19Å; I595-Q637 HydrophobicContact CG2-CB 4.14Å; I596-Q637 PolarHBondContact N-O 3.39Å; Q637-H639 PolarHBondContact OE1-NE2 3.01Å; Q637-D660 HydrophobicContact CG-CB 4.41Å
638I98.8Very high89Confident0 Ų024.3 Ų24.30%012%0.124CC..EExtended strand (participates in β ladder)trans-93.5116.4166-60.5-57.6000109I596 I598 F625 A629 A632 D660 V661I596-I638 HydrophobicContact CB-CD1 4.22Å; I596-I638 CarbonylContact O-C 3.59Å; I596-I638 WeakPolarHBondContact O-CA 3.47Å; I598-I638 HydrophobicContact CD1-CD1 4.49Å; I598-I638 HydrophobicContact CD1-CG2 4.35Å; F625-I638 HydrophobicContact CZ-CG2 4.19Å; A629-I638 HydrophobicContact CB-CG1 4.27Å; A629-I638 HydrophobicContact CB-CG2 4.05Å; A632-I638 HydrophobicContact CB-CD1 3.78Å; A632-I638 HydrophobicContact CB-CG1 4.12Å; I638-D660 PolarHBondContact N-OD2 3.37Å; I638-D660 WeakPolarHBondContact O-CB 3.33Å; I638-D660 PolarHBondContact O-N 2.58Å; I638-V661 PolarHBondContact O-N 2.8Å
639H98.6Very high88.2Confident0 Ų027.7 Ų27.70%014%0.143CC..EExtended strand (participates in β ladder)trans-98152.4171.2-74.6-141.3000109.5K549 I595 I596 Q597 I598 Q637 V661 W721K549-H639 WeakPolarHBondContact CE-ND1 3.39Å; K549-H639 PolarHBondContact NZ-ND1 3.37Å; I595-H639 VanDerWaalsContact CG2-CD2 3.48Å; I595-H639 WeakPolarHBondContact CG2-CD2 3.18Å; I596-H639 PolarHBondContact O-N 2.9Å; Q597-H639 CarbonylContact C-O 3.58Å; Q597-H639 VanDerWaalsContact CA-O 3.29Å; Q597-H639 WeakPolarHBondContact CA-O 3.18Å; Q597-H639 HydrophobicContact CB-CB 3.74Å; Q597-H639 HydrophobicContact CG-CB 3.67Å; I598-H639 PolarHBondContact N-O 3.14Å; Q637-H639 PolarHBondContact OE1-NE2 3.01Å; H639-V661 CarbonylContact C-O 3.56Å; H639-V661 VanDerWaalsContact CA-O 3.22Å; H639-V661 WeakPolarHBondContact CA-O 3.2Å; H639-V661 WeakPolarHBondContact NE2-CG2 3.38Å; H639-W721 AromaticContact CE1-CH2 3.52Å; H639-W721 AromaticContact CE1-CZ2 3.92Å; H639-W721 AromaticContact CE1-CZ3 3.72Å; H639-W721 AromaticContact NE2-CH2 3.93Å
640T97.3Very high87.7Confident0 Ų027.6 Ų27.60%014%0.141CC..EExtended strand (participates in β ladder)trans-137.8143.8165.5-168.80000111.1I598 L657 A659 V661 I662 T663I598-T640 WeakPolarHBondContact O-CA 3.48Å; I598-T640 VanDerWaalsContact O-CB 3.27Å; I598-T640 WeakPolarHBondContact O-CB 3.39Å; I598-T640 PolarHBondContact O-OG1 2.87Å; T640-L657 HydrophobicContact CG2-CD1 4.45Å; T640-A659 HydrophobicContact CG2-CB 3.58Å; T640-V661 PolarHBondContact N-O 3.34Å; T640-I662 HydrophobicContact CG2-CB 4.24Å; T640-I662 HydrophobicContact CG2-CD1 4.04Å; T640-I662 HydrophobicContact CG2-CG1 3.8Å; T640-I662 CarbonylContact O-C 3.59Å; T640-I662 WeakPolarHBondContact O-CA 3.34Å; T640-T663 PolarHBondContact O-N 3.26Å; T640-T663 PolarHBondContact O-OG1 3.44Å
641H94.3Very high87.1Confident4 Ų427.5 Ų27.52%0.01914%0.139CC..EExtended strand (participates in β ladder)trans-113.3136.1173.2-176.248.7000110.8I431 D599 E600 C643 T663 D725I431-H641 HydrophobicContact CG2-CB 4.13Å; I431-H641 WeakPolarHBondContact CG2-CD2 3.43Å; D599-H641 HydrophobicContact CB-CB 4.41Å; D599-H641 WeakPolarHBondContact OD1-CB 3.33Å; D599-H641 PolarHBondContact OD1-N 2.91Å; E600-H641 PolarHBondContact N-O 2.86Å; H641-C643 PolarHBondContact CD2-SG 3.06Å; H641-C643 PolarHBondContact NE2-SG 2.69Å; H641-T663 WeakPolarHBondContact CA-O 3.46Å; H641-T663 WeakPolarHBondContact CA-OG1 3.5Å; H641-T663 WeakPolarHBondContact CB-OG1 3.32Å; H641-T663 PolarHBondContact ND1-O 3.03Å; H641-T663 PolarHBondContact ND1-OG1 2.73Å; H641-D725 PolarHBondContact CE1-O 3.34Å; H641-D725 PolarHBondContact NE2-O 3.49Å
642M85.6Confident86.7Confident5 Ų530.9 Ų30.93%0.02516%0.156CC..EExtended strand (participates in β ladder)trans-131130.6173.3-58.4-175.8-56.300110.4F647 I654 L657 I662 T663 I664 E665M642-F647 HydrophobicContact CB-CE1 3.73Å; M642-F647 HydrophobicContact CB-CZ 3.86Å; M642-F647 HydrophobicContact CE-CD1 4.02Å; M642-F647 HydrophobicContact CE-CE1 3.64Å; M642-F647 HydrophobicContact CE-CZ 4.28Å; M642-F647 HydrophobicContact SD-CE1 4.3Å; M642-I654 HydrophobicContact CE-CB 4.27Å; M642-I654 HydrophobicContact CE-CD1 3.61Å; M642-I654 HydrophobicContact CE-CG1 3.63Å; M642-I654 HydrophobicContact CE-CG2 3.68Å; M642-I654 HydrophobicContact SD-CG1 4.13Å; M642-L657 HydrophobicContact SD-CD1 4.27Å; M642-I662 HydrophobicContact CE-CD1 3.16Å; M642-I662 HydrophobicContact CE-CG1 4.06Å; M642-I662 HydrophobicContact SD-CD1 4.35Å; M642-T663 PolarHBondContact N-O 2.98Å; M642-I664 HydrophobicContact CE-CG2 4.34Å; M642-E665 PolarHBondContact O-N 3.47Å
643C78.3Confident86.3Confident5 Ų531.6 Ų31.63%0.03416%0.16CC..  trans-113162.5-176.9-44.60000112.1P601 H641 C645P601-C643 HydrophobicContact CB-CB 4.13Å; H641-C643 PolarHBondContact CD2-SG 3.06Å; H641-C643 PolarHBondContact NE2-SG 2.69Å; C643-C645 PolarHBondContact O-N 3.39Å; C643-C645 PolarHBondContact O-SG 3.03Å
644Y61.5Low85.9Confident38 Ų3825.7 Ų25.715%0.14914%0.135CC..SBendtrans55.133.5163.1-43.6-71.6000117.7E665 H694Y644-E665 WeakPolarHBondContact CD1-OE2 3.39Å; Y644-E665 VanDerWaalsContact CE1-OE2 3.23Å; Y644-E665 WeakPolarHBondContact CE1-OE2 3.47Å; Y644-E665 PolarHBondContact N-OE2 2.85Å; Y644-H694 AromaticContact CE1-NE2 3.55Å; Y644-H694 AromaticContact CZ-NE2 3.56Å; Y644-H694 PolarHBondContact OH-CE1 3.37Å; Y644-H694 PolarHBondContact OH-NE2 2.89Å
645C59.1Low85.6Confident13 Ų1325.1 Ų25.19%0.08813%0.134CC..  trans-135.2132.3-168.8-72.80000112.9R604 C643 F647R604-C645 HydrophobicContact CB-CB 4.14Å; R604-C645 WeakPolarHBondContact CB-SG 3.31Å; R604-C645 VanDerWaalsContact CD-SG 3.54Å; R604-C645 HydrophobicContact CG-CB 4.36Å; C643-C645 PolarHBondContact O-N 3.39Å; C643-C645 PolarHBondContact O-SG 3.03Å; C645-F647 HydrophobicContact CB-CD1 3.88Å; C645-F647 HydrophobicContact CB-CE1 3.44Å; C645-F647 VanDerWaalsContact CB-CE1 3.44Å; C645-F647 HydrophobicContact CB-CE2 4.49Å; C645-F647 HydrophobicContact CB-CZ 3.8Å; C645-F647 VanDerWaalsContact O-CD2 3.29Å; C645-F647 WeakPolarHBondContact O-CD2 3.32Å; C645-F647 VanDerWaalsContact O-CE2 3.27Å; C645-F647 WeakPolarHBondContact O-CE2 3.47Å; C645-F647 PolarHBondContact O-N 3.43Å
646E66.3Low85.4Confident68 Ų6824 Ų2432%0.31813%0.134SC..  trans-76107.7160.8-58-169.1171.400108.4K172 R604 N648 L673K172-E646 VanDerWaalsContact CE-OE1 3.32Å; K172-E646 WeakPolarHBondContact CE-OE1 3.49Å; K172-E646 IonicContact NZ-OE1 3.32Å; K172-E646 PolarHBondContact NZ-OE1 2.93Å; R604-E646 WeakPolarHBondContact CD-O 3.1Å; R604-E646 VanDerWaalsContact CZ-N 3.3Å; R604-E646 PolarHBondContact NE-O 2.71Å; R604-E646 PolarHBondContact NH2-O 3.04Å; E646-N648 VanDerWaalsContact C-N 3.29Å; E646-L673 HydrophobicContact CB-CD2 4.2Å; E646-L673 HydrophobicContact CG-CD2 4.24Å
647F72.1Confident85.3Confident2 Ų224.1 Ų24.11%0.00914%0.135CC..  trans-80-13.3-172.8-59.6-65.4000113.4M642 C645 D649 I650 M651 I654 I664M642-F647 HydrophobicContact CB-CE1 3.73Å; M642-F647 HydrophobicContact CB-CZ 3.86Å; M642-F647 HydrophobicContact CE-CD1 4.02Å; M642-F647 HydrophobicContact CE-CE1 3.64Å; M642-F647 HydrophobicContact CE-CZ 4.28Å; M642-F647 HydrophobicContact SD-CE1 4.3Å; C645-F647 HydrophobicContact CB-CD1 3.88Å; C645-F647 HydrophobicContact CB-CE1 3.44Å; C645-F647 VanDerWaalsContact CB-CE1 3.44Å; C645-F647 HydrophobicContact CB-CE2 4.49Å; C645-F647 HydrophobicContact CB-CZ 3.8Å; C645-F647 VanDerWaalsContact O-CD2 3.29Å; C645-F647 WeakPolarHBondContact O-CD2 3.32Å; C645-F647 VanDerWaalsContact O-CE2 3.27Å; C645-F647 WeakPolarHBondContact O-CE2 3.47Å; C645-F647 PolarHBondContact O-N 3.43Å; F647-D649 PolarHBondContact O-N 3.19Å; F647-I650 CarbonylContact O-C 3.5Å; F647-I650 PolarHBondContact O-N 3.36Å; F647-M651 HydrophobicContact CB-SD 3.62Å; F647-M651 WeakPolarHBondContact O-CG 3.42Å; F647-M651 PolarHBondContact O-N 2.88Å; F647-M651 VanDerWaalsContact O-N 3.13Å; F647-I654 HydrophobicContact CB-CD1 3.66Å; F647-I654 HydrophobicContact CD1-CD1 3.42Å; F647-I654 VanDerWaalsContact CD1-CD1 3.42Å; F647-I654 HydrophobicContact CE1-CD1 4.32Å; F647-I654 HydrophobicContact CG-CD1 3.82Å; F647-I664 HydrophobicContact CD2-CG2 4.3Å; F647-I664 HydrophobicContact CE2-CB 3.74Å; F647-I664 HydrophobicContact CE2-CD1 4.5Å; F647-I664 HydrophobicContact CE2-CG2 3.67Å; F647-I664 HydrophobicContact CZ-CB 4.18Å; F647-I664 HydrophobicContact CZ-CG2 3.82Å
648N74.7Confident85.2Confident82 Ų8225.7 Ų25.744%0.43914%0.143SC..G310 helixtrans-49.1-42.2-172.3-58.57000112.9E646 I650 S676E646-N648 VanDerWaalsContact C-N 3.29Å; N648-I650 PolarHBondContact O-N 3.44Å; N648-S676 VanDerWaalsContact OD1-CB 3.27Å; N648-S676 WeakPolarHBondContact OD1-CB 3.34Å
649D80.4Confident85.1Confident71 Ų7125.7 Ų25.738%0.3814%0.143SC..G310 helixtrans-82.7-6.8-176.5-61.6-61.6000114.9R611 W614 F647R611-D649 IonicContact NH1-OD1 3.27Å; R611-D649 PolarHBondContact NH1-OD1 3.01Å; W614-D649 HydrophobicContact CH2-CB 3.73Å; W614-D649 HydrophobicContact CZ3-CB 3.35Å; F647-D649 PolarHBondContact O-N 3.19Å
650I86.2Confident85.1Confident5 Ų525.7 Ų25.73%0.02614%0.143CC..G310 helixtrans-133.117.6-175.463.2163.1000114.1R604 L607 W614 L618 F647 N648 D652 S653 I654R604-I650 HydrophobicContact CB-CD1 3.76Å; R604-I650 HydrophobicContact CG-CD1 3.9Å; L607-I650 HydrophobicContact CD1-CG2 3.91Å; W614-I650 HydrophobicContact CE3-CG2 3.9Å; W614-I650 HydrophobicContact CZ3-CG2 3.65Å; L618-I650 HydrophobicContact CD1-CG2 3.87Å; L618-I650 HydrophobicContact CD2-CG2 4.25Å; F647-I650 CarbonylContact O-C 3.5Å; F647-I650 PolarHBondContact O-N 3.36Å; N648-I650 PolarHBondContact O-N 3.44Å; I650-D652 VanDerWaalsContact C-N 3.27Å; I650-D652 PolarHBondContact O-N 3.43Å; I650-S653 WeakPolarHBondContact O-CB 3.3Å; I650-S653 PolarHBondContact O-N 2.79Å; I650-I654 HydrophobicContact CD1-CD1 4.31Å; I650-I654 HydrophobicContact CD1-CG1 4.37Å; I650-I654 HydrophobicContact CG1-CD1 4.05Å; I650-I654 HydrophobicContact CG1-CG1 4.35Å; I650-I654 WeakPolarHBondContact O-CG1 3.38Å; I650-I654 PolarHBondContact O-N 2.99Å
651M86Confident85.1Confident8 Ų825.7 Ų25.74%0.03914%0.143CC..Hα-helixtrans-54.6-40.6-179.2-76.4-50.8-57.400113.3F647 S653 I654 A655 F677 F680 Y682F647-M651 HydrophobicContact CB-SD 3.62Å; F647-M651 WeakPolarHBondContact O-CG 3.42Å; F647-M651 PolarHBondContact O-N 2.88Å; F647-M651 VanDerWaalsContact O-N 3.13Å; M651-S653 VanDerWaalsContact C-N 3.28Å; M651-S653 PolarHBondContact O-N 3.41Å; M651-I654 WeakPolarHBondContact O-CB 3.39Å; M651-I654 PolarHBondContact O-N 3Å; M651-I654 HydrophobicContact SD-CD1 3.88Å; M651-A655 PolarHBondContact O-N 2.82Å; M651-F677 HydrophobicContact CE-CD1 3.66Å; M651-F677 HydrophobicContact CE-CD2 4.45Å; M651-F677 HydrophobicContact CE-CE1 3.22Å; M651-F677 HydrophobicContact CE-CE2 4.11Å; M651-F677 HydrophobicContact CE-CG 4.25Å; M651-F677 HydrophobicContact CE-CZ 3.49Å; M651-F677 VanDerWaalsContact CE-CZ 3.49Å; M651-F677 HydrophobicContact SD-CE1 4.33Å; M651-F677 HydrophobicContact SD-CE2 4.25Å; M651-F677 HydrophobicContact SD-CZ 4Å; M651-F680 HydrophobicContact CB-CB 4.23Å; M651-F680 HydrophobicContact CB-CD1 4.17Å; M651-F680 HydrophobicContact CB-CD2 4.45Å; M651-F680 HydrophobicContact CB-CG 4.01Å; M651-F680 HydrophobicContact CE-CD1 4.11Å; M651-Y682 HydrophobicContact CE-CD2 4.4Å
652D89.2Confident85.1Confident118 Ų11825.5 Ų25.563%0.63114%0.142SC*.Hα-helixtrans-57.4-41.8175.3-68.8-34.9000112I650 A655 A656 F680I650-D652 VanDerWaalsContact C-N 3.27Å; I650-D652 PolarHBondContact O-N 3.43Å; D652-A655 PolarHBondContact O-N 3.32Å; D652-A656 VanDerWaalsContact O-CB 3.32Å; D652-A656 WeakPolarHBondContact O-CB 3.48Å; D652-A656 PolarHBondContact O-N 2.9Å; D652-F680 WeakPolarHBondContact OD1-CE2 3.41Å
653S91.9Very high85.5Confident20 Ų2025.3 Ų25.314%0.1414%0.141CC..Hα-helixtrans-73.2-34.3-179.6-64.70000112.1L618 V622 I650 M651 A656 L657L618-S653 WeakPolarHBondContact CB-OG 3.39Å; L618-S653 WeakPolarHBondContact CD1-OG 3.47Å; V622-S653 WeakPolarHBondContact CG2-O 3.43Å; I650-S653 WeakPolarHBondContact O-CB 3.3Å; I650-S653 PolarHBondContact O-N 2.79Å; M651-S653 VanDerWaalsContact C-N 3.28Å; M651-S653 PolarHBondContact O-N 3.41Å; S653-A656 WeakPolarHBondContact O-CB 3.49Å; S653-A656 PolarHBondContact O-N 3.43Å; S653-L657 PolarHBondContact O-N 2.9Å
654I90.1Very high85.9Confident0 Ų025.1 Ų25.10%014%0.14CC..Hα-helixtrans-62.7-45.2173-67.8169.3000110.5M642 F647 I650 M651 A656 L657 I662 Y682M642-I654 HydrophobicContact CE-CB 4.27Å; M642-I654 HydrophobicContact CE-CD1 3.61Å; M642-I654 HydrophobicContact CE-CG1 3.63Å; M642-I654 HydrophobicContact CE-CG2 3.68Å; M642-I654 HydrophobicContact SD-CG1 4.13Å; F647-I654 HydrophobicContact CB-CD1 3.66Å; F647-I654 HydrophobicContact CD1-CD1 3.42Å; F647-I654 VanDerWaalsContact CD1-CD1 3.42Å; F647-I654 HydrophobicContact CE1-CD1 4.32Å; F647-I654 HydrophobicContact CG-CD1 3.82Å; I650-I654 HydrophobicContact CD1-CD1 4.31Å; I650-I654 HydrophobicContact CD1-CG1 4.37Å; I650-I654 HydrophobicContact CG1-CD1 4.05Å; I650-I654 HydrophobicContact CG1-CG1 4.35Å; I650-I654 WeakPolarHBondContact O-CG1 3.38Å; I650-I654 PolarHBondContact O-N 2.99Å; M651-I654 WeakPolarHBondContact O-CB 3.39Å; M651-I654 PolarHBondContact O-N 3Å; M651-I654 HydrophobicContact SD-CD1 3.88Å; I654-A656 VanDerWaalsContact C-N 3.3Å; I654-A656 PolarHBondContact O-N 3.37Å; I654-L657 VanDerWaalsContact O-CB 3.32Å; I654-L657 WeakPolarHBondContact O-CB 3.39Å; I654-L657 PolarHBondContact O-N 2.66Å; I654-I662 HydrophobicContact CG2-CD1 3.26Å; I654-Y682 HydrophobicContact CG2-CE2 4.07Å
655A91.3Very high86.9Confident21 Ų2124 Ų2417%0.17414%0.136CC..Hα-helixtrans-63.2-39.5173.500000111.6M651 D652 L657 D658 F680 Y682M651-A655 PolarHBondContact O-N 2.82Å; D652-A655 PolarHBondContact O-N 3.32Å; A655-L657 PolarHBondContact O-N 3.48Å; A655-L657 VanDerWaalsContact O-N 3.16Å; A655-D658 PolarHBondContact O-N 3.43Å; A655-F680 HydrophobicContact CB-CE1 3.64Å; A655-F680 HydrophobicContact CB-CZ 3.62Å; A655-Y682 HydrophobicContact CB-CD2 4.24Å; A655-Y682 HydrophobicContact CB-CE2 4.24Å
656A94.7Very high87.9Confident39 Ų3923.4 Ų23.432%0.32213%0.132SC..Hα-helixtrans-64.5-17.7179.100000114V622 R626 D652 S653 I654 D658V622-A656 HydrophobicContact CG1-CB 3.83Å; V622-A656 VanDerWaalsContact CG1-O 3.31Å; V622-A656 WeakPolarHBondContact CG1-O 3.35Å; V622-A656 HydrophobicContact CG2-CB 4.44Å; R626-A656 WeakPolarHBondContact CD-O 3.41Å; R626-A656 PolarHBondContact NH1-O 2.82Å; D652-A656 VanDerWaalsContact O-CB 3.32Å; D652-A656 WeakPolarHBondContact O-CB 3.48Å; D652-A656 PolarHBondContact O-N 2.9Å; S653-A656 WeakPolarHBondContact O-CB 3.49Å; S653-A656 PolarHBondContact O-N 3.43Å; I654-A656 VanDerWaalsContact C-N 3.3Å; I654-A656 PolarHBondContact O-N 3.37Å; A656-D658 PolarHBondContact O-N 3.2Å
657L96Very high88Confident3 Ų321.3 Ų21.32%0.01613%0.125CC..THydrogen-bonded Turntrans-59.7-26.4170.3-63175.6000112.5L603 V622 F625 T640 M642 S653 I654 A655 A659L603-L657 HydrophobicContact CD2-CD1 4.08Å; L603-L657 HydrophobicContact CD2-CD2 4Å; L603-L657 HydrophobicContact CD2-CG 4.42Å; V622-L657 HydrophobicContact CB-CD2 4.32Å; V622-L657 HydrophobicContact CG1-CD2 4.34Å; V622-L657 HydrophobicContact CG2-CD2 3.96Å; F625-L657 HydrophobicContact CB-CD2 3.76Å; F625-L657 HydrophobicContact CD1-CB 3.89Å; F625-L657 HydrophobicContact CD1-CD2 3.73Å; F625-L657 HydrophobicContact CD1-CG 4.34Å; F625-L657 HydrophobicContact CD2-CD2 4.45Å; F625-L657 HydrophobicContact CE1-CB 3.92Å; F625-L657 HydrophobicContact CE1-CD2 4.47Å; F625-L657 WeakPolarHBondContact CE1-O 3.47Å; F625-L657 HydrophobicContact CG-CD2 3.73Å; T640-L657 HydrophobicContact CG2-CD1 4.45Å; M642-L657 HydrophobicContact SD-CD1 4.27Å; S653-L657 PolarHBondContact O-N 2.9Å; I654-L657 VanDerWaalsContact O-CB 3.32Å; I654-L657 WeakPolarHBondContact O-CB 3.39Å; I654-L657 PolarHBondContact O-N 2.66Å; A655-L657 PolarHBondContact O-N 3.48Å; A655-L657 VanDerWaalsContact O-N 3.16Å; L657-A659 PolarHBondContact O-N 3.41Å
658D96.6Very high88Confident37 Ų3725 Ų2520%0.19814%0.139CC..  trans55.235.1-178.2-16729000113.3R413 A655 A656R413-D658 IonicContact CZ-OD1 3.74Å; R413-D658 IonicContact CZ-OD2 3.53Å; R413-D658 IonicContact NH1-OD1 3.47Å; R413-D658 PolarHBondContact NH1-OD1 3.34Å; R413-D658 IonicContact NH1-OD2 3.04Å; R413-D658 PolarHBondContact NH1-OD2 3.23Å; R413-D658 PolarHBondContact NH2-O 3.45Å; R413-D658 IonicContact NH2-OD1 3.76Å; R413-D658 PolarHBondContact NH2-OD1 3.03Å; R413-D658 IonicContact NH2-OD2 3.34Å; A655-D658 PolarHBondContact O-N 3.43Å; A656-D658 PolarHBondContact O-N 3.2Å
659A97.5Very high87.6Confident0 Ų022.4 Ų22.40%013%0.127CC..  trans-72.5138.3170.200000110F625 T640 L657 N684F625-A659 HydrophobicContact CZ-CB 4.41Å; T640-A659 HydrophobicContact CG2-CB 3.58Å; L657-A659 PolarHBondContact O-N 3.41Å; A659-N684 PolarHBondContact O-ND2 3.04Å
660D98.3Very high86.9Confident0 Ų024 Ų240%014%0.135CC..SBendtrans-71.3-34.4-177.9-57.4-63.1000111.6R406 Y410 R413 Q417 Q637 I638 E685R406-D660 IonicContact CZ-OD2 2.65Å; R406-D660 IonicContact NH1-OD1 3.45Å; R406-D660 PolarHBondContact NH1-OD1 2.87Å; R406-D660 IonicContact NH1-OD2 2.8Å; R406-D660 PolarHBondContact NH1-OD2 2.78Å; R406-D660 IonicContact NH2-OD2 3.3Å; Y410-D660 HydrophobicContact CD2-CB 4.43Å; Y410-D660 HydrophobicContact CE2-CB 4.26Å; R413-D660 IonicContact CZ-OD1 2.78Å; R413-D660 IonicContact NE-OD1 3.19Å; R413-D660 PolarHBondContact NE-OD1 3.04Å; R413-D660 IonicContact NH2-OD1 2.8Å; R413-D660 PolarHBondContact NH2-OD1 3.22Å; Q417-D660 PolarHBondContact NE2-OD1 3.33Å; Q417-D660 PolarHBondContact NE2-OD2 2.96Å; Q637-D660 HydrophobicContact CG-CB 4.41Å; I638-D660 PolarHBondContact N-OD2 3.37Å; I638-D660 WeakPolarHBondContact O-CB 3.33Å; I638-D660 PolarHBondContact O-N 2.58Å; D660-E685 PolarHBondContact O-N 2.79Å
661V97.8Very high86Confident0 Ų023.8 Ų23.80%014%0.135CC..EExtended strand (participates in β ladder)trans-136.3132.2175.1-1720000110.4I638 H639 T640 E685 W721I638-V661 PolarHBondContact O-N 2.8Å; H639-V661 CarbonylContact C-O 3.56Å; H639-V661 VanDerWaalsContact CA-O 3.22Å; H639-V661 WeakPolarHBondContact CA-O 3.2Å; H639-V661 WeakPolarHBondContact NE2-CG2 3.38Å; T640-V661 PolarHBondContact N-O 3.34Å; V661-E685 WeakPolarHBondContact CA-O 3.46Å; V661-E685 HydrophobicContact CB-CB 4.43Å; V661-E685 HydrophobicContact CG1-CB 4.26Å; V661-E685 HydrophobicContact CG2-CB 4.06Å; V661-W721 HydrophobicContact CG1-CD2 3.87Å; V661-W721 HydrophobicContact CG1-CG 3.91Å; V661-W721 HydrophobicContact CG1-CZ2 4.32Å; V661-W721 HydrophobicContact CG2-CZ2 3.77Å
662I94.5Very high85.1Confident0 Ų028.6 Ų28.60%016%0.157CC..EExtended strand (participates in β ladder)trans-113.6140.1174.2-167.8162.8000112T640 M642 I654 I664 Y682 E685 I686 G687T640-I662 HydrophobicContact CG2-CB 4.24Å; T640-I662 HydrophobicContact CG2-CD1 4.04Å; T640-I662 HydrophobicContact CG2-CG1 3.8Å; T640-I662 CarbonylContact O-C 3.59Å; T640-I662 WeakPolarHBondContact O-CA 3.34Å; M642-I662 HydrophobicContact CE-CD1 3.16Å; M642-I662 HydrophobicContact CE-CG1 4.06Å; M642-I662 HydrophobicContact SD-CD1 4.35Å; I654-I662 HydrophobicContact CG2-CD1 3.26Å; I662-I664 HydrophobicContact CG1-CG2 4.23Å; I662-Y682 HydrophobicContact CG2-CE1 3.67Å; I662-Y682 WeakPolarHBondContact CG2-OH 3.3Å; I662-E685 PolarHBondContact N-O 3.14Å; I662-I686 HydrophobicContact CG2-CB 3.85Å; I662-I686 HydrophobicContact CG2-CD1 4.14Å; I662-I686 HydrophobicContact CG2-CG1 3.86Å; I662-I686 CarbonylContact O-C 3.48Å; I662-I686 VanDerWaalsContact O-CA 3.27Å; I662-I686 WeakPolarHBondContact O-CA 3.43Å; I662-G687 PolarHBondContact O-N 3.39Å
663T93.1Very high84Confident1 Ų123.7 Ų23.71%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-120.2134.2172.457.20000110.4I431 T640 H641 M642 G687I431-T663 HydrophobicContact CD1-CG2 4.08Å; T640-T663 PolarHBondContact O-N 3.26Å; T640-T663 PolarHBondContact O-OG1 3.44Å; H641-T663 WeakPolarHBondContact CA-O 3.46Å; H641-T663 WeakPolarHBondContact CA-OG1 3.5Å; H641-T663 WeakPolarHBondContact CB-OG1 3.32Å; H641-T663 PolarHBondContact ND1-O 3.03Å; H641-T663 PolarHBondContact ND1-OG1 2.73Å; M642-T663 PolarHBondContact N-O 2.98Å; T663-G687 WeakPolarHBondContact CA-O 3.36Å
664I87Confident83Confident1 Ų123 Ų231%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-130.1145.3-17457.3167.9000111.9M642 F647 I662 T666 L674 F677 I686 G687 P688 G689M642-I664 HydrophobicContact CE-CG2 4.34Å; F647-I664 HydrophobicContact CD2-CG2 4.3Å; F647-I664 HydrophobicContact CE2-CB 3.74Å; F647-I664 HydrophobicContact CE2-CD1 4.5Å; F647-I664 HydrophobicContact CE2-CG2 3.67Å; F647-I664 HydrophobicContact CZ-CB 4.18Å; F647-I664 HydrophobicContact CZ-CG2 3.82Å; I662-I664 HydrophobicContact CG1-CG2 4.23Å; I664-T666 HydrophobicContact CD1-CG2 3.72Å; I664-T666 HydrophobicContact CG1-CG2 3.87Å; I664-L674 HydrophobicContact CD1-CD2 4.33Å; I664-F677 HydrophobicContact CD1-CE2 3.56Å; I664-F677 HydrophobicContact CD1-CZ 3.85Å; I664-I686 HydrophobicContact CD1-CD1 3.98Å; I664-I686 HydrophobicContact CG1-CD1 4.4Å; I664-G687 PolarHBondContact N-O 2.8Å; I664-G687 VanDerWaalsContact N-O 3.13Å; I664-P688 HydrophobicContact CG1-CB 4.48Å; I664-G689 PolarHBondContact O-N 2.65Å
665E82.9Confident82Confident15 Ų1528.6 Ų28.67%0.0715%0.152CC..  trans-76.4124.4173176.6174.3-174.900110.7M642 Y644 L673 D725M642-E665 PolarHBondContact O-N 3.47Å; Y644-E665 WeakPolarHBondContact CD1-OE2 3.39Å; Y644-E665 VanDerWaalsContact CE1-OE2 3.23Å; Y644-E665 WeakPolarHBondContact CE1-OE2 3.47Å; Y644-E665 PolarHBondContact N-OE2 2.85Å; E665-L673 WeakPolarHBondContact O-CD1 3.36Å; E665-D725 HydrophobicContact CB-CB 4.32Å; E665-D725 HydrophobicContact CG-CB 3.88Å
666T78.3Confident81.1Confident0 Ų027.9 Ų27.90%015%0.145CC..  trans-140.7-15.2-174.249.10000115.5I664 R668 S669 M671 L673 P688 G689 D725I664-T666 HydrophobicContact CD1-CG2 3.72Å; I664-T666 HydrophobicContact CG1-CG2 3.87Å; T666-R668 PolarHBondContact O-N 3.3Å; T666-S669 PolarHBondContact O-N 3.35Å; T666-S669 PolarHBondContact O-OG 3.08Å; T666-S669 VanDerWaalsContact O-OG 3.12Å; T666-M671 WeakPolarHBondContact CB-SD 3.25Å; T666-M671 HydrophobicContact CG2-SD 4.17Å; T666-M671 PolarHBondContact O-N 2.8Å; T666-M671 VanDerWaalsContact OG1-CE 3.26Å; T666-M671 WeakPolarHBondContact OG1-CE 3.37Å; T666-M671 PolarHBondContact OG1-SD 3.11Å; T666-M671 VanDerWaalsContact OG1-SD 3.39Å; T666-L673 HydrophobicContact CG2-CB 4.3Å; T666-L673 HydrophobicContact CG2-CD1 4.24Å; T666-P688 HydrophobicContact CG2-CB 4.28Å; T666-G689 PolarHBondContact OG1-N 2.97Å; T666-G689 PolarHBondContact OG1-O 3.42Å; T666-D725 PolarHBondContact N-OD1 3.44Å
667S69.6Low79.8Confident25 Ų2526.4 Ų26.418%0.17513%0.132CC..G310 helixtrans-72.2-27.6-170.886.40000113.9D692 D725S667-D692 VanDerWaalsContact OG-CA 3.22Å; S667-D692 WeakPolarHBondContact OG-CA 3.38Å; S667-D692 VanDerWaalsContact OG-CB 3.31Å; S667-D692 WeakPolarHBondContact OG-CB 3.42Å; S667-D692 PolarHBondContact OG-N 2.94Å; S667-D725 WeakPolarHBondContact CB-OD2 3.4Å; S667-D725 PolarHBondContact N-OD1 3.11Å; S667-D725 PolarHBondContact N-OD2 3.24Å; S667-D725 PolarHBondContact OG-OD2 3.34Å
668R71.7Confident78.5Confident80 Ų8029.8 Ų29.830%0.30215%0.147SC..G310 helixtrans-79.5-20.4177.1-72.6-178.2168.6-130.6-23.8114.3T666 D692T666-R668 PolarHBondContact O-N 3.3Å; R668-D692 HydrophobicContact CG-CB 4.46Å; R668-D692 IonicContact CZ-OD1 2.92Å; R668-D692 IonicContact CZ-OD2 3.82Å; R668-D692 VanDerWaalsContact NE-CG 3.26Å; R668-D692 IonicContact NE-OD1 3.33Å; R668-D692 PolarHBondContact NE-OD1 3.3Å; R668-D692 IonicContact NE-OD2 2.81Å; R668-D692 PolarHBondContact NE-OD2 3.36Å; R668-D692 IonicContact NH2-OD1 3.42Å; R668-D692 PolarHBondContact NH2-OD1 3.06Å; R668-D692 IonicContact NH2-OD2 3.78Å; R668-D692 PolarHBondContact NH2-OD2 2.97Å
669S67.4Low77.5Confident27 Ų2736.6 Ų36.619%0.18918%0.178CC..G310 helixtrans-100.215.8-177.254.30000113.4T666 M671 E672 L673T666-S669 PolarHBondContact O-N 3.35Å; T666-S669 PolarHBondContact O-OG 3.08Å; T666-S669 VanDerWaalsContact O-OG 3.12Å; S669-M671 PolarHBondContact O-N 3.22Å; S669-E672 PolarHBondContact O-N 3.27Å; S669-L673 WeakPolarHBondContact OG-CD1 3.44Å
670D65.1Low76.5Confident103 Ų10339.1 Ų39.155%0.55119%0.189SC*.THydrogen-bonded Turntrans53.128.5179.5-155.213.6000114.4E672 K710D670-E672 PolarHBondContact O-N 2.75Å; D670-K710 PolarHBondContact O-NZ 2.91Å
671M67.4Low75.6Confident2 Ų244.8 Ų44.81%0.0122%0.219CC..THydrogen-bonded Turntrans60.416.4-175.9-61-74.9179.300115.1T666 S669 L673 L674 G689 L707 K710T666-M671 WeakPolarHBondContact CB-SD 3.25Å; T666-M671 HydrophobicContact CG2-SD 4.17Å; T666-M671 PolarHBondContact O-N 2.8Å; T666-M671 VanDerWaalsContact OG1-CE 3.26Å; T666-M671 WeakPolarHBondContact OG1-CE 3.37Å; T666-M671 PolarHBondContact OG1-SD 3.11Å; T666-M671 VanDerWaalsContact OG1-SD 3.39Å; S669-M671 PolarHBondContact O-N 3.22Å; M671-L673 PolarHBondContact O-N 3.07Å; M671-L674 HydrophobicContact CB-CD1 4.14Å; M671-L674 HydrophobicContact CB-CG 4.4Å; M671-L674 HydrophobicContact CG-CD1 4.32Å; M671-L674 PolarHBondContact O-N 3.21Å; M671-L674 VanDerWaalsContact O-N 3.08Å; M671-L674 HydrophobicContact SD-CD1 3.54Å; M671-L674 VanDerWaalsContact SD-CD1 3.54Å; M671-L674 HydrophobicContact SD-CG 4.01Å; M671-G689 WeakPolarHBondContact CE-O 3.44Å; M671-L707 HydrophobicContact CE-CB 3.89Å; M671-L707 HydrophobicContact CE-CD1 3.94Å; M671-L707 HydrophobicContact CE-CD2 3.8Å; M671-L707 HydrophobicContact CE-CG 4.08Å; M671-L707 HydrophobicContact CG-CD2 3.69Å; M671-K710 HydrophobicContact CB-CD 3.98Å; M671-K710 HydrophobicContact CG-CD 4.4Å
672E66.3Low74.9Confident109 Ų10945 Ų4551%0.50922%0.22SC..G310 helixtrans-56.9-32172.7-73.5-177.3167.600111.1S669 D670 L674 E675S669-E672 PolarHBondContact O-N 3.27Å; D670-E672 PolarHBondContact O-N 2.75Å; E672-L674 PolarHBondContact O-N 3.23Å; E672-L674 VanDerWaalsContact O-N 3.1Å; E672-E675 WeakPolarHBondContact O-CB 3.48Å; E672-E675 PolarHBondContact O-N 3.06Å; E672-E675 VanDerWaalsContact O-N 3.15Å
673L66.8Low74.6Confident15 Ų1547.7 Ų47.78%0.07924%0.237CC..G310 helixtrans-58.6-24.6177.1-66.7171.3000113.8E646 E665 T666 S669 M671 E675 S676E646-L673 HydrophobicContact CB-CD2 4.2Å; E646-L673 HydrophobicContact CG-CD2 4.24Å; E665-L673 WeakPolarHBondContact O-CD1 3.36Å; T666-L673 HydrophobicContact CG2-CB 4.3Å; T666-L673 HydrophobicContact CG2-CD1 4.24Å; S669-L673 WeakPolarHBondContact OG-CD1 3.44Å; M671-L673 PolarHBondContact O-N 3.07Å; L673-E675 VanDerWaalsContact C-N 3.27Å; L673-E675 PolarHBondContact O-N 3.03Å; L673-S676 PolarHBondContact O-OG 2.83Å
674L70.4Confident74.6Confident6 Ų647.9 Ų47.93%0.03124%0.238CC..G310 helixtrans-73.6-17.7-179.2-67.7-176.1000113.6I664 M671 E672 S676 F677 P688 A711 I715I664-L674 HydrophobicContact CD1-CD2 4.33Å; M671-L674 HydrophobicContact CB-CD1 4.14Å; M671-L674 HydrophobicContact CB-CG 4.4Å; M671-L674 HydrophobicContact CG-CD1 4.32Å; M671-L674 PolarHBondContact O-N 3.21Å; M671-L674 VanDerWaalsContact O-N 3.08Å; M671-L674 HydrophobicContact SD-CD1 3.54Å; M671-L674 VanDerWaalsContact SD-CD1 3.54Å; M671-L674 HydrophobicContact SD-CG 4.01Å; E672-L674 PolarHBondContact O-N 3.23Å; E672-L674 VanDerWaalsContact O-N 3.1Å; L674-S676 PolarHBondContact O-N 3.25Å; L674-F677 HydrophobicContact CD2-CD2 4.18Å; L674-F677 PolarHBondContact O-N 3.26Å; L674-F677 VanDerWaalsContact O-N 3.13Å; L674-P688 HydrophobicContact CD2-CB 4.07Å; L674-A711 HydrophobicContact CD1-CB 3.76Å; L674-I715 HydrophobicContact CD2-CD1 4.4Å
675E69.5Low75Confident117 Ų11748.4 Ų48.455%0.54724%0.241SC..G310 helixtrans-60.6-35.4177-65-178.2174.500111.1E672 L673 F677 E678 E679E672-E675 WeakPolarHBondContact O-CB 3.48Å; E672-E675 PolarHBondContact O-N 3.06Å; E672-E675 VanDerWaalsContact O-N 3.15Å; L673-E675 VanDerWaalsContact C-N 3.27Å; L673-E675 PolarHBondContact O-N 3.03Å; E675-F677 PolarHBondContact O-N 3.48Å; E675-E678 WeakPolarHBondContact O-CB 3.36Å; E675-E678 PolarHBondContact O-N 2.85Å; E675-E679 PolarHBondContact O-N 3.36Å
676S71.3Confident75.5Confident6 Ų647.7 Ų47.74%0.04224%0.238CC..Hα-helixtrans-61.2-29.5176.764.90000114.3N648 L673 L674 E678 E679 F680N648-S676 VanDerWaalsContact OD1-CB 3.27Å; N648-S676 WeakPolarHBondContact OD1-CB 3.34Å; L673-S676 PolarHBondContact O-OG 2.83Å; L674-S676 PolarHBondContact O-N 3.25Å; S676-E678 VanDerWaalsContact C-N 3.27Å; S676-E678 PolarHBondContact O-N 3.07Å; S676-E679 PolarHBondContact O-N 3.31Å; S676-F680 WeakPolarHBondContact O-CB 3.34Å; S676-F680 PolarHBondContact O-N 3.15Å
677F69.3Low76.3Confident8 Ų847.7 Ų47.74%0.03524%0.238CC..Hα-helixtrans-79.4-9.6177.7-69.7-89.4000113.1M651 I664 L674 E675 F680 Y682 I686 I715M651-F677 HydrophobicContact CE-CD1 3.66Å; M651-F677 HydrophobicContact CE-CD2 4.45Å; M651-F677 HydrophobicContact CE-CE1 3.22Å; M651-F677 HydrophobicContact CE-CE2 4.11Å; M651-F677 HydrophobicContact CE-CG 4.25Å; M651-F677 HydrophobicContact CE-CZ 3.49Å; M651-F677 VanDerWaalsContact CE-CZ 3.49Å; M651-F677 HydrophobicContact SD-CE1 4.33Å; M651-F677 HydrophobicContact SD-CE2 4.25Å; M651-F677 HydrophobicContact SD-CZ 4Å; I664-F677 HydrophobicContact CD1-CE2 3.56Å; I664-F677 HydrophobicContact CD1-CZ 3.85Å; L674-F677 HydrophobicContact CD2-CD2 4.18Å; L674-F677 PolarHBondContact O-N 3.26Å; L674-F677 VanDerWaalsContact O-N 3.13Å; E675-F677 PolarHBondContact O-N 3.48Å; F677-F680 CarbonylContact C-O 3.6Å; F677-F680 VanDerWaalsContact C-O 3.3Å; F677-F680 WeakPolarHBondContact CA-O 3.45Å; F677-Y682 HydrophobicContact CD1-CG 4.17Å; F677-Y682 HydrophobicContact CE1-CD1 4.49Å; F677-Y682 HydrophobicContact CE1-CD2 4.33Å; F677-Y682 HydrophobicContact CE1-CG 4.04Å; F677-I686 HydrophobicContact CD1-CD1 3.69Å; F677-I686 HydrophobicContact CD2-CD1 4.33Å; F677-I686 HydrophobicContact CE1-CD1 3.19Å; F677-I686 HydrophobicContact CE2-CD1 3.9Å; F677-I686 HydrophobicContact CG-CD1 4.23Å; F677-I686 HydrophobicContact CZ-CD1 3.31Å; F677-I715 HydrophobicContact CB-CD1 4.09Å; F677-I715 HydrophobicContact CB-CG1 4.34Å; F677-I715 HydrophobicContact CG-CD1 4.3Å
678E68.2Low77.2Confident74 Ų7446.5 Ų46.535%0.34623%0.229SC..Hα-helixtrans-84.7-43.2168.8-63.6171.4-137.800111.5E675 S676 R714E675-E678 WeakPolarHBondContact O-CB 3.36Å; E675-E678 PolarHBondContact O-N 2.85Å; S676-E678 VanDerWaalsContact C-N 3.27Å; S676-E678 PolarHBondContact O-N 3.07Å; E678-R714 VanDerWaalsContact CD-NH1 3.28Å; E678-R714 VanDerWaalsContact CD-NH2 3.29Å; E678-R714 HydrophobicContact CG-CB 3.6Å; E678-R714 HydrophobicContact CG-CG 3.66Å; E678-R714 WeakPolarHBondContact OE1-CD 3.37Å; E678-R714 WeakPolarHBondContact OE1-CG 3.45Å; E678-R714 IonicContact OE1-CZ 3.06Å; E678-R714 IonicContact OE1-NE 3.59Å; E678-R714 PolarHBondContact OE1-NE 3.49Å; E678-R714 IonicContact OE1-NH1 3.38Å; E678-R714 PolarHBondContact OE1-NH1 3.15Å; E678-R714 IonicContact OE1-NH2 3.26Å; E678-R714 PolarHBondContact OE1-NH2 2.94Å; E678-R714 IonicContact OE2-CZ 2.99Å; E678-R714 IonicContact OE2-NE 3.53Å; E678-R714 PolarHBondContact OE2-NE 3.43Å; E678-R714 IonicContact OE2-NH1 2.73Å; E678-R714 PolarHBondContact OE2-NH1 3.34Å; E678-R714 IonicContact OE2-NH2 3.51Å; E678-R714 PolarHBondContact OE2-NH2 3.43Å
679E75Confident78.1Confident180 Ų18042.7 Ų42.784%0.84122%0.215SC*.Hα-helixtrans-68.5-31.8178.5-63.1-174.2168.700110.9E675 S676E675-E679 PolarHBondContact O-N 3.36Å; S676-E679 PolarHBondContact O-N 3.31Å
680F75.6Confident79.3Confident52 Ų5241.4 Ų41.423%0.22821%0.206CC..SBendtrans-116.4108.2175.9-173.1-91000110.5M651 D652 A655 S676 F677 Y682M651-F680 HydrophobicContact CB-CB 4.23Å; M651-F680 HydrophobicContact CB-CD1 4.17Å; M651-F680 HydrophobicContact CB-CD2 4.45Å; M651-F680 HydrophobicContact CB-CG 4.01Å; M651-F680 HydrophobicContact CE-CD1 4.11Å; D652-F680 WeakPolarHBondContact OD1-CE2 3.41Å; A655-F680 HydrophobicContact CB-CE1 3.64Å; A655-F680 HydrophobicContact CB-CZ 3.62Å; S676-F680 WeakPolarHBondContact O-CB 3.34Å; S676-F680 PolarHBondContact O-N 3.15Å; F677-F680 CarbonylContact C-O 3.6Å; F677-F680 VanDerWaalsContact C-O 3.3Å; F677-F680 WeakPolarHBondContact CA-O 3.45Å; F680-Y682 HydrophobicContact CE1-CD2 4.27Å; F680-Y682 PolarHBondContact O-N 2.79Å
681D80.3Confident80.3Confident119 Ų11937 Ų3764%0.63618%0.182SC*.  trans-69.381.4177-175.119.6000110.8P683 R719D681-P683 WeakPolarHBondContact O-CD 3.23Å; D681-R719 IonicContact OD1-CZ 3.74Å; D681-R719 IonicContact OD1-NH1 2.78Å; D681-R719 IonicContact OD1-NH2 3.1Å; D681-R719 PolarHBondContact OD1-NH2 3.1Å
682Y84.1Confident81.2Confident6 Ų638.5 Ų38.52%0.02419%0.189CC..  trans-60.3120.7179.3-177.5-99.7000109.7M651 I654 A655 I662 F677 F680 N684 R719M651-Y682 HydrophobicContact CE-CD2 4.4Å; I654-Y682 HydrophobicContact CG2-CE2 4.07Å; A655-Y682 HydrophobicContact CB-CD2 4.24Å; A655-Y682 HydrophobicContact CB-CE2 4.24Å; I662-Y682 HydrophobicContact CG2-CE1 3.67Å; I662-Y682 WeakPolarHBondContact CG2-OH 3.3Å; F677-Y682 HydrophobicContact CD1-CG 4.17Å; F677-Y682 HydrophobicContact CE1-CD1 4.49Å; F677-Y682 HydrophobicContact CE1-CD2 4.33Å; F677-Y682 HydrophobicContact CE1-CG 4.04Å; F680-Y682 HydrophobicContact CE1-CD2 4.27Å; F680-Y682 PolarHBondContact O-N 2.79Å; Y682-N684 HydrophobicContact CD1-CB 4.5Å; Y682-N684 WeakPolarHBondContact CD1-O 3.42Å; Y682-N684 HydrophobicContact CE1-CB 3.72Å; Y682-N684 WeakPolarHBondContact CE1-O 3.4Å; Y682-N684 PolarHBondContact O-N 3.41Å; Y682-R719 PolarHBondContact O-NH1 3.05Å; Y682-R719 PolarHBondContact O-NH2 3.29Å
683P86.6Confident82.1Confident55 Ų5533.3 Ų33.336%0.35717%0.165SC..  trans-74.4-31.6-166.125-32.4000113.7D681 R719D681-P683 WeakPolarHBondContact O-CD 3.23Å; P683-R719 WeakPolarHBondContact O-CD 3.47Å; P683-R719 PolarHBondContact O-NH1 3.5Å
684N94.3Very high82.7Confident5 Ų534.2 Ų34.23%0.02717%0.169CC..SBendtrans-98.2-175.2-165.9-57.35.3000112.4Y410 A659 Y682 R719Y410-N684 WeakPolarHBondContact CB-OD1 3.44Å; Y410-N684 HydrophobicContact CD1-CB 4.29Å; Y410-N684 WeakPolarHBondContact CD1-OD1 3.13Å; Y410-N684 HydrophobicContact CD2-CB 4.11Å; Y410-N684 HydrophobicContact CE1-CB 4.18Å; Y410-N684 HydrophobicContact CE2-CB 3.98Å; Y410-N684 HydrophobicContact CG-CB 4.27Å; Y410-N684 VanDerWaalsContact CG-CG 3.45Å; A659-N684 PolarHBondContact O-ND2 3.04Å; Y682-N684 HydrophobicContact CD1-CB 4.5Å; Y682-N684 WeakPolarHBondContact CD1-O 3.42Å; Y682-N684 HydrophobicContact CE1-CB 3.72Å; Y682-N684 WeakPolarHBondContact CE1-O 3.4Å; Y682-N684 PolarHBondContact O-N 3.41Å; N684-R719 WeakPolarHBondContact O-CD 3.4Å
685E95.7Very high83.1Confident12 Ų1234.9 Ų34.96%0.05617%0.174CC..EExtended strand (participates in β ladder)trans-79.5151.3-178.2-42.6-167.6162.400112.1Y410 R418 D660 V661 I662 R719 W721Y410-E685 WeakPolarHBondContact OH-CG 3.41Å; Y410-E685 PolarHBondContact OH-OE1 3.24Å; R418-E685 IonicContact NE-OE1 2.79Å; R418-E685 IonicContact NH2-OE1 3.54Å; R418-E685 PolarHBondContact NH2-OE1 2.93Å; D660-E685 PolarHBondContact O-N 2.79Å; V661-E685 WeakPolarHBondContact CA-O 3.46Å; V661-E685 HydrophobicContact CB-CB 4.43Å; V661-E685 HydrophobicContact CG1-CB 4.26Å; V661-E685 HydrophobicContact CG2-CB 4.06Å; I662-E685 PolarHBondContact N-O 3.14Å; E685-R719 CarbonylContact C-O 3.57Å; E685-R719 WeakPolarHBondContact CA-O 3.29Å; E685-R719 WeakPolarHBondContact CB-O 3.4Å; E685-W721 PolarHBondContact OE2-NE1 3.11Å
686I93.4Very high83.6Confident1 Ų132.9 Ų32.91%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-144.4139.1-173.2179.1164.2000113.1I662 I664 F677 I715 R719 L720 W721I662-I686 HydrophobicContact CG2-CB 3.85Å; I662-I686 HydrophobicContact CG2-CD1 4.14Å; I662-I686 HydrophobicContact CG2-CG1 3.86Å; I662-I686 CarbonylContact O-C 3.48Å; I662-I686 VanDerWaalsContact O-CA 3.27Å; I662-I686 WeakPolarHBondContact O-CA 3.43Å; I664-I686 HydrophobicContact CD1-CD1 3.98Å; I664-I686 HydrophobicContact CG1-CD1 4.4Å; F677-I686 HydrophobicContact CD1-CD1 3.69Å; F677-I686 HydrophobicContact CD2-CD1 4.33Å; F677-I686 HydrophobicContact CE1-CD1 3.19Å; F677-I686 HydrophobicContact CE2-CD1 3.9Å; F677-I686 HydrophobicContact CG-CD1 4.23Å; F677-I686 HydrophobicContact CZ-CD1 3.31Å; I686-I715 HydrophobicContact CD1-CD1 4.17Å; I686-I715 HydrophobicContact CG2-CD1 3.66Å; I686-I715 HydrophobicContact CG2-CG2 3.67Å; I686-R719 PolarHBondContact N-O 3.48Å; I686-L720 HydrophobicContact CG2-CD2 4.15Å; I686-L720 CarbonylContact O-C 3.53Å; I686-L720 WeakPolarHBondContact O-CA 3.43Å; I686-W721 PolarHBondContact O-N 3.03Å
687G93.7Very high84.3Confident0 Ų037.1 Ų37.10%019%0.194CC..EExtended strand (participates in β ladder)trans-121.691.7177.200000112.6I662 T663 I664 N723I662-G687 PolarHBondContact O-N 3.39Å; T663-G687 WeakPolarHBondContact CA-O 3.36Å; I664-G687 PolarHBondContact N-O 2.8Å; I664-G687 VanDerWaalsContact N-O 3.13Å; G687-N723 VanDerWaalsContact C-OD1 3.29Å; G687-N723 WeakPolarHBondContact CA-OD1 3.49Å; G687-N723 PolarHBondContact O-ND2 2.85Å; G687-N723 VanDerWaalsContact O-ND2 3.11Å; G687-N723 PolarHBondContact O-OD1 2.71Å
688P89.8Confident85.4Confident0 Ų039.9 Ų39.90%021%0.211CC..EExtended strand (participates in β ladder)trans-72129174.129.7-31.9000110.7I664 T666 L674 V690 A711 L720I664-P688 HydrophobicContact CG1-CB 4.48Å; T666-P688 HydrophobicContact CG2-CB 4.28Å; L674-P688 HydrophobicContact CD2-CB 4.07Å; P688-V690 WeakPolarHBondContact O-CG1 3.3Å; P688-V690 PolarHBondContact O-N 3.5Å; P688-A711 HydrophobicContact CG-CB 3.95Å; P688-L720 HydrophobicContact CG-CD2 4.27Å
689G90.9Very high86.5Confident0 Ų037.3 Ų37.30%020%0.201CC..BIsolated β-bridgetrans-62.5124.6-17800000113.2I664 T666 M671 N723 D725I664-G689 PolarHBondContact O-N 2.65Å; T666-G689 PolarHBondContact OG1-N 2.97Å; T666-G689 PolarHBondContact OG1-O 3.42Å; M671-G689 WeakPolarHBondContact CE-O 3.44Å; G689-N723 WeakPolarHBondContact CA-O 3.49Å; G689-D725 VanDerWaalsContact C-OD1 3.32Å; G689-D725 VanDerWaalsContact CA-OD1 3.23Å; G689-D725 WeakPolarHBondContact CA-OD1 3.43Å
690V91.6Very high87.5Confident0 Ų031.2 Ų31.20%018%0.178CC..  trans-102.33.3-174.5-58.30000114.3P688 I704 L707 L708 V722 N723 M743P688-V690 WeakPolarHBondContact O-CG1 3.3Å; P688-V690 PolarHBondContact O-N 3.5Å; V690-I704 HydrophobicContact CB-CG1 4.49Å; V690-I704 HydrophobicContact CB-CG2 3.95Å; V690-I704 HydrophobicContact CG1-CG2 4.38Å; V690-I704 HydrophobicContact CG2-CG1 4.31Å; V690-I704 HydrophobicContact CG2-CG2 3.7Å; V690-L707 HydrophobicContact CB-CD1 4.33Å; V690-L707 HydrophobicContact CG1-CB 4.47Å; V690-L708 HydrophobicContact CG1-CD2 3.64Å; V690-L708 HydrophobicContact CG1-CG 3.92Å; V690-V722 HydrophobicContact CG2-CG1 4.39Å; V690-N723 WeakPolarHBondContact CG2-O 3.35Å; V690-N723 PolarHBondContact N-O 3Å; V690-M743 HydrophobicContact CG2-CG 3.95Å; V690-M743 HydrophobicContact CG2-SD 4.1Å
691Y87Confident88.6Confident10 Ų1029.8 Ų29.84%0.03917%0.173CC..SBendtrans-152.4125.1-174.3163.4-134.6000112.3I693 N697 P699 P724 D725 L728 A739Y691-I693 HydrophobicContact CD1-CG2 3.84Å; Y691-I693 HydrophobicContact CE1-CG2 3.75Å; Y691-I693 PolarHBondContact O-N 3.21Å; Y691-I693 VanDerWaalsContact O-N 3.13Å; Y691-N697 WeakPolarHBondContact CE2-O 3.12Å; Y691-P699 VanDerWaalsContact CD2-CD 3.46Å; Y691-P699 HydrophobicContact CD2-CG 3.57Å; Y691-P699 HydrophobicContact CE2-CG 4.34Å; Y691-P699 HydrophobicContact CG-CG 3.88Å; Y691-P724 HydrophobicContact CD1-CB 4.2Å; Y691-D725 VanDerWaalsContact O-CB 3.32Å; Y691-D725 WeakPolarHBondContact O-CB 3.27Å; Y691-D725 PolarHBondContact O-N 3.08Å; Y691-D725 VanDerWaalsContact O-N 3.11Å; Y691-L728 HydrophobicContact CE1-CD2 4.1Å; Y691-A739 HydrophobicContact CD1-CB 3.88Å; Y691-A739 HydrophobicContact CE1-CB 3.6Å; Y691-A739 HydrophobicContact CE2-CB 4.44Å; Y691-A739 HydrophobicContact CG-CB 4.41Å
692D84.5Confident89.4Confident33 Ų3330.3 Ų30.318%0.17617%0.172CC..  trans-69.997.2174.7178.114.5000111.8S667 R668 H694 S695S667-D692 VanDerWaalsContact OG-CA 3.22Å; S667-D692 WeakPolarHBondContact OG-CA 3.38Å; S667-D692 VanDerWaalsContact OG-CB 3.31Å; S667-D692 WeakPolarHBondContact OG-CB 3.42Å; S667-D692 PolarHBondContact OG-N 2.94Å; R668-D692 HydrophobicContact CG-CB 4.46Å; R668-D692 IonicContact CZ-OD1 2.92Å; R668-D692 IonicContact CZ-OD2 3.82Å; R668-D692 VanDerWaalsContact NE-CG 3.26Å; R668-D692 IonicContact NE-OD1 3.33Å; R668-D692 PolarHBondContact NE-OD1 3.3Å; R668-D692 IonicContact NE-OD2 2.81Å; R668-D692 PolarHBondContact NE-OD2 3.36Å; R668-D692 IonicContact NH2-OD1 3.42Å; R668-D692 PolarHBondContact NH2-OD1 3.06Å; R668-D692 IonicContact NH2-OD2 3.78Å; R668-D692 PolarHBondContact NH2-OD2 2.97Å; D692-H694 PolarHBondContact O-N 3.37Å; D692-H694 VanDerWaalsContact O-N 3.15Å; D692-H694 WeakPolarHBondContact OD1-CA 3.34Å; D692-H694 WeakPolarHBondContact OD1-CB 3.11Å; D692-H694 PolarHBondContact OD1-N 3.03Å; D692-S695 PolarHBondContact O-N 2.68Å; D692-S695 WeakPolarHBondContact OD2-CB 3.48Å; D692-S695 PolarHBondContact OD2-N 3.49Å
693I85.4Confident89.8Confident1 Ų136.7 Ų36.71%0.00520%0.196CC..THydrogen-bonded Turntrans-72.5-2.3179.361.365.5000114Y691 P724 D725 C726 L728 R731Y691-I693 HydrophobicContact CD1-CG2 3.84Å; Y691-I693 HydrophobicContact CE1-CG2 3.75Å; Y691-I693 PolarHBondContact O-N 3.21Å; Y691-I693 VanDerWaalsContact O-N 3.13Å; I693-P724 HydrophobicContact CG2-CB 3.63Å; I693-D725 HydrophobicContact CG1-CB 4.45Å; I693-C726 HydrophobicContact CD1-CB 3.87Å; I693-C726 HydrophobicContact CG1-CB 3.65Å; I693-L728 HydrophobicContact CB-CD2 4.41Å; I693-L728 HydrophobicContact CG2-CD2 3.7Å; I693-R731 VanDerWaalsContact O-CD 3.3Å; I693-R731 WeakPolarHBondContact O-CD 3.39Å; I693-R731 PolarHBondContact O-NE 3.45Å; I693-R731 PolarHBondContact O-NH1 3.4Å
694H79.5Confident90.2Very high33 Ų3334.1 Ų34.115%0.15318%0.179CC..THydrogen-bonded Turntrans-98.7-10.7176.9-65.3-54.2000113.2Y644 D692 R731Y644-H694 AromaticContact CE1-NE2 3.55Å; Y644-H694 AromaticContact CZ-NE2 3.56Å; Y644-H694 PolarHBondContact OH-CE1 3.37Å; Y644-H694 PolarHBondContact OH-NE2 2.89Å; D692-H694 PolarHBondContact O-N 3.37Å; D692-H694 VanDerWaalsContact O-N 3.15Å; D692-H694 WeakPolarHBondContact OD1-CA 3.34Å; D692-H694 WeakPolarHBondContact OD1-CB 3.11Å; D692-H694 PolarHBondContact OD1-N 3.03Å; H694-R731 PolarHBondContact O-NH1 2.93Å
695S79.8Confident90.2Very high21 Ų2135.3 Ų35.315%0.14719%0.185CC..SBendtrans-94.2143.3164.2-173.90000112.2D692 N697 R731D692-S695 PolarHBondContact O-N 2.68Å; D692-S695 WeakPolarHBondContact OD2-CB 3.48Å; D692-S695 PolarHBondContact OD2-N 3.49Å; S695-N697 PolarHBondContact O-N 3.14Å; S695-N697 WeakPolarHBondContact OG-CB 3.03Å; S695-N697 PolarHBondContact OG-N 3.22Å; S695-N697 PolarHBondContact OG-ND2 3.31Å; S695-N697 VanDerWaalsContact OG-ND2 3.13Å; S695-R731 VanDerWaalsContact N-NH1 3.1Å; S695-R731 PolarHBondContact O-NH1 3.33Å
696P79.7Confident90.1Very high75 Ų7537.5 Ų37.549%0.48721%0.205SC..SBendtrans-75.9-0168.633.4-35.9000112.7
697N85.5Confident89.9Confident95 Ų9538.1 Ų38.151%0.50821%0.208SC..PPolyproline II helixtrans-69139.4179.2-62.5-14.5000110.8Y691 S695Y691-N697 WeakPolarHBondContact CE2-O 3.12Å; S695-N697 PolarHBondContact O-N 3.14Å; S695-N697 WeakPolarHBondContact OG-CB 3.03Å; S695-N697 PolarHBondContact OG-N 3.22Å; S695-N697 PolarHBondContact OG-ND2 3.31Å; S695-N697 VanDerWaalsContact OG-ND2 3.13Å
698V92.5Very high89.9Confident65 Ų6538.1 Ų38.139%0.39421%0.208SC..PPolyproline II helixtrans-95.6119.1175.1178.30000109.3E735 A738 A739V698-E735 HydrophobicContact CG2-CB 3.98Å; V698-A738 HydrophobicContact CG1-CB 3.8Å; V698-A738 HydrophobicContact CG2-CB 4.07Å; V698-A739 HydrophobicContact CG1-CB 4.4Å
699P92.3Very high90Very high20 Ų2043 Ų4313%0.1323%0.23CC..PPolyproline II helixtrans-70.9149.8177.430-35.9000111.7Y691 I704 A739 N742Y691-P699 VanDerWaalsContact CD2-CD 3.46Å; Y691-P699 HydrophobicContact CD2-CG 3.57Å; Y691-P699 HydrophobicContact CE2-CG 4.34Å; Y691-P699 HydrophobicContact CG-CG 3.88Å; P699-I704 HydrophobicContact CB-CD1 4.35Å; P699-I704 HydrophobicContact CB-CG1 4.27Å; P699-I704 HydrophobicContact CG-CD1 4.04Å; P699-I704 HydrophobicContact CG-CG1 4.39Å; P699-A739 HydrophobicContact CG-CB 4.47Å; P699-N742 PolarHBondContact O-ND2 2.78Å
700S96.3Very high89.9Confident52 Ų5247.3 Ų47.336%0.36425%0.248SC..PPolyproline II helixtrans-79.8162.1174.384.70000111.9E702 W703 I704S700-E702 VanDerWaalsContact C-N 3.3Å; S700-E702 WeakPolarHBondContact CB-OE2 3.41Å; S700-E702 PolarHBondContact O-N 3.33Å; S700-E702 PolarHBondContact OG-N 2.9Å; S700-E702 PolarHBondContact OG-OE2 3.5Å; S700-W703 PolarHBondContact O-N 3.14Å; S700-W703 PolarHBondContact OG-N 3.06Å; S700-I704 WeakPolarHBondContact O-CG1 3.29Å; S700-I704 PolarHBondContact O-N 3.29Å
701V98Very high89.7Confident22 Ų2247.3 Ų47.313%0.13325%0.248CC..Hα-helixtrans-60.5-42.9176.2178.40000110.6W703 I704 E705 N742 Q745 A746V701-W703 VanDerWaalsContact C-N 3.33Å; V701-W703 PolarHBondContact O-N 3.32Å; V701-I704 PolarHBondContact O-N 2.91Å; V701-E705 HydrophobicContact CG1-CG 4.45Å; V701-E705 PolarHBondContact O-N 3.09Å; V701-N742 HydrophobicContact CG2-CB 3.8Å; V701-Q745 HydrophobicContact CG1-CG 4.22Å; V701-Q745 HydrophobicContact CG2-CB 4.25Å; V701-Q745 HydrophobicContact CG2-CG 4.24Å; V701-A746 HydrophobicContact CG1-CB 4.07Å
702E96.7Very high89.9Confident130 Ų13048.7 Ų48.761%0.60726%0.262SS*.Hα-helixtrans-64.2-38.4-178.6-56.374-160.400111.8S700 E705 A706S700-E702 VanDerWaalsContact C-N 3.3Å; S700-E702 WeakPolarHBondContact CB-OE2 3.41Å; S700-E702 PolarHBondContact O-N 3.33Å; S700-E702 PolarHBondContact OG-N 2.9Å; S700-E702 PolarHBondContact OG-OE2 3.5Å; E702-E705 PolarHBondContact O-N 3.17Å; E702-A706 WeakPolarHBondContact O-CB 3.43Å; E702-A706 PolarHBondContact O-N 2.8Å
703W92.2Very high90.1Very high141 Ų14154.8 Ų54.853%0.53429%0.287SS..Hα-helixtrans-61.4-48.4175.2-179.9-93.6000110.9S700 V701 A706 L707S700-W703 PolarHBondContact O-N 3.14Å; S700-W703 PolarHBondContact OG-N 3.06Å; V701-W703 VanDerWaalsContact C-N 3.33Å; V701-W703 PolarHBondContact O-N 3.32Å; W703-A706 PolarHBondContact O-N 2.9Å; W703-L707 WeakPolarHBondContact O-CG 3.49Å; W703-L707 PolarHBondContact O-N 3.04Å; W703-L707 VanDerWaalsContact O-N 3.13Å
704I95.1Very high89.9Confident0 Ų060.7 Ų60.70%031%0.309CS..Hα-helixtrans-63.3-44.6178.9-65.5167.3000111V690 P699 S700 V701 A706 L707 L708 N742 M743 A746V690-I704 HydrophobicContact CB-CG1 4.49Å; V690-I704 HydrophobicContact CB-CG2 3.95Å; V690-I704 HydrophobicContact CG1-CG2 4.38Å; V690-I704 HydrophobicContact CG2-CG1 4.31Å; V690-I704 HydrophobicContact CG2-CG2 3.7Å; P699-I704 HydrophobicContact CB-CD1 4.35Å; P699-I704 HydrophobicContact CB-CG1 4.27Å; P699-I704 HydrophobicContact CG-CD1 4.04Å; P699-I704 HydrophobicContact CG-CG1 4.39Å; S700-I704 WeakPolarHBondContact O-CG1 3.29Å; S700-I704 PolarHBondContact O-N 3.29Å; V701-I704 PolarHBondContact O-N 2.91Å; I704-A706 VanDerWaalsContact C-N 3.33Å; I704-A706 PolarHBondContact O-N 2.79Å; I704-L707 WeakPolarHBondContact O-CB 3.44Å; I704-L707 PolarHBondContact O-N 3.47Å; I704-L708 HydrophobicContact CG2-CD1 3.94Å; I704-L708 HydrophobicContact CG2-CG 4.43Å; I704-L708 WeakPolarHBondContact O-CG 3.45Å; I704-L708 PolarHBondContact O-N 2.93Å; I704-N742 HydrophobicContact CD1-CB 4.12Å; I704-M743 HydrophobicContact CD1-CB 4.11Å; I704-A746 HydrophobicContact CB-CB 4Å; I704-A746 HydrophobicContact CG2-CB 3.56Å
705E95.4Very high90.2Very high31 Ų3159.5 Ų59.515%0.14530%0.303CS..Hα-helixtrans-61-41.2176.4-77.1-170.9-161.100112.7V701 E702 L707 L708 K709 A746 N749V701-E705 HydrophobicContact CG1-CG 4.45Å; V701-E705 PolarHBondContact O-N 3.09Å; E702-E705 PolarHBondContact O-N 3.17Å; E705-L707 VanDerWaalsContact C-N 3.3Å; E705-L707 PolarHBondContact O-N 3.46Å; E705-L708 PolarHBondContact O-N 3.2Å; E705-K709 VanDerWaalsContact O-CB 3.3Å; E705-K709 WeakPolarHBondContact O-CB 3.48Å; E705-K709 VanDerWaalsContact O-CG 3.27Å; E705-K709 WeakPolarHBondContact O-CG 3.45Å; E705-K709 PolarHBondContact O-N 2.69Å; E705-K709 IonicContact OE2-NZ 3.37Å; E705-K709 PolarHBondContact OE2-NZ 2.9Å; E705-A746 HydrophobicContact CG-CB 3.78Å; E705-N749 WeakPolarHBondContact OE1-CB 3.28Å; E705-N749 PolarHBondContact OE1-ND2 2.94Å
706A92.7Very high90.7Very high58 Ų5860.8 Ų60.848%0.47931%0.311SS..Hα-helixtrans-61.9-41.5178.900000111.1E702 W703 I704 K710E702-A706 WeakPolarHBondContact O-CB 3.43Å; E702-A706 PolarHBondContact O-N 2.8Å; W703-A706 PolarHBondContact O-N 2.9Å; I704-A706 VanDerWaalsContact C-N 3.33Å; I704-A706 PolarHBondContact O-N 2.79Å; A706-K710 WeakPolarHBondContact O-CB 3.5Å; A706-K710 PolarHBondContact O-N 2.97Å
707L89.9Confident91.2Very high14 Ų1459 Ų597%0.07330%0.303CS..Hα-helixtrans-62-49.2174.5-72.6-175.9000112.1M671 V690 W703 I704 E705 K709 K710 A711M671-L707 HydrophobicContact CE-CB 3.89Å; M671-L707 HydrophobicContact CE-CD1 3.94Å; M671-L707 HydrophobicContact CE-CD2 3.8Å; M671-L707 HydrophobicContact CE-CG 4.08Å; M671-L707 HydrophobicContact CG-CD2 3.69Å; V690-L707 HydrophobicContact CB-CD1 4.33Å; V690-L707 HydrophobicContact CG1-CB 4.47Å; W703-L707 WeakPolarHBondContact O-CG 3.49Å; W703-L707 PolarHBondContact O-N 3.04Å; W703-L707 VanDerWaalsContact O-N 3.13Å; I704-L707 WeakPolarHBondContact O-CB 3.44Å; I704-L707 PolarHBondContact O-N 3.47Å; E705-L707 VanDerWaalsContact C-N 3.3Å; E705-L707 PolarHBondContact O-N 3.46Å; L707-K709 PolarHBondContact O-N 2.7Å; L707-K710 WeakPolarHBondContact O-CB 3.31Å; L707-K710 PolarHBondContact O-N 3.2Å; L707-K710 VanDerWaalsContact O-N 3.13Å; L707-A711 PolarHBondContact O-N 3.48Å
708L92.3Very high91.5Very high0 Ų060.5 Ų60.50%031%0.307CS..Hα-helixtrans-64.1-39.9178.8-69172.1000112.4W426 V690 I704 E705 K710 A711 A712 V722 L750W426-L708 HydrophobicContact CE3-CD2 4.44Å; W426-L708 HydrophobicContact CH2-CB 4.43Å; W426-L708 HydrophobicContact CZ3-CB 4.03Å; W426-L708 HydrophobicContact CZ3-CD2 4.07Å; V690-L708 HydrophobicContact CG1-CD2 3.64Å; V690-L708 HydrophobicContact CG1-CG 3.92Å; I704-L708 HydrophobicContact CG2-CD1 3.94Å; I704-L708 HydrophobicContact CG2-CG 4.43Å; I704-L708 WeakPolarHBondContact O-CG 3.45Å; I704-L708 PolarHBondContact O-N 2.93Å; E705-L708 PolarHBondContact O-N 3.2Å; L708-K710 VanDerWaalsContact C-N 3.3Å; L708-K710 PolarHBondContact O-N 2.91Å; L708-A711 PolarHBondContact O-N 3.23Å; L708-A712 PolarHBondContact O-N 3.02Å; L708-V722 HydrophobicContact CD1-CG1 3.97Å; L708-V722 HydrophobicContact CD1-CG2 3.9Å; L708-V722 HydrophobicContact CD2-CG1 4.35Å; L708-V722 HydrophobicContact CD2-CG2 3.92Å; L708-L750 HydrophobicContact CB-CD1 3.56Å; L708-L750 HydrophobicContact CD1-CD1 3.56Å; L708-L750 HydrophobicContact CG-CD1 4.19Å
709K92.4Very high91.5Very high103 Ų10359.2 Ų59.245%0.44830%0.295SS..Hα-helixtrans-65.1-33.5173.6-75165.2175.8155.40111.8E705 L707 K713 L750E705-K709 VanDerWaalsContact O-CB 3.3Å; E705-K709 WeakPolarHBondContact O-CB 3.48Å; E705-K709 VanDerWaalsContact O-CG 3.27Å; E705-K709 WeakPolarHBondContact O-CG 3.45Å; E705-K709 PolarHBondContact O-N 2.69Å; E705-K709 IonicContact OE2-NZ 3.37Å; E705-K709 PolarHBondContact OE2-NZ 2.9Å; L707-K709 PolarHBondContact O-N 2.7Å; K709-K713 WeakPolarHBondContact O-CG 3.42Å; K709-K713 PolarHBondContact O-N 3.14Å; K709-L750 HydrophobicContact CD-CD2 4.45Å; K709-L750 HydrophobicContact CG-CD2 4.06Å
710K88.5Confident91.7Very high90 Ų9058.3 Ų58.339%0.39129%0.289SS..Hα-helixtrans-65.1-44.8172.8-170.3178.3176.5-177.40110D670 M671 A706 L707 L708 K713D670-K710 PolarHBondContact O-NZ 2.91Å; M671-K710 HydrophobicContact CB-CD 3.98Å; M671-K710 HydrophobicContact CG-CD 4.4Å; A706-K710 WeakPolarHBondContact O-CB 3.5Å; A706-K710 PolarHBondContact O-N 2.97Å; L707-K710 WeakPolarHBondContact O-CB 3.31Å; L707-K710 PolarHBondContact O-N 3.2Å; L707-K710 VanDerWaalsContact O-N 3.13Å; L708-K710 VanDerWaalsContact C-N 3.3Å; L708-K710 PolarHBondContact O-N 2.91Å; K710-K713 WeakPolarHBondContact O-CB 3.43Å; K710-K713 PolarHBondContact O-N 2.86Å
711A88.2Confident91.7Very high0 Ų056 Ų560%027%0.272CS..Hα-helixtrans-62.6-44.5175.900000113L674 P688 L707 L708 K713 R714 I715 L720L674-A711 HydrophobicContact CD1-CB 3.76Å; P688-A711 HydrophobicContact CG-CB 3.95Å; L707-A711 PolarHBondContact O-N 3.48Å; L708-A711 PolarHBondContact O-N 3.23Å; A711-K713 PolarHBondContact O-N 3.1Å; A711-K713 VanDerWaalsContact O-N 3.11Å; A711-R714 PolarHBondContact O-N 3.28Å; A711-I715 PolarHBondContact O-N 3.11Å; A711-L720 HydrophobicContact CB-CD1 4.26Å; A711-L720 HydrophobicContact CB-CD2 4.16Å
712A90.9Very high91.7Very high39 Ų3954.9 Ų54.932%0.32227%0.266SS..Hα-helixtrans-65.2-13178.800000115.3W426 L708 R714 I715 L720W426-A712 HydrophobicContact CH2-CB 3.76Å; W426-A712 HydrophobicContact CZ2-CB 4.24Å; L708-A712 PolarHBondContact O-N 3.02Å; A712-R714 PolarHBondContact O-N 3.48Å; A712-I715 WeakPolarHBondContact CA-O 3.42Å; A712-L720 HydrophobicContact CB-CD1 3.85Å
713K88.9Confident91.8Very high161 Ų16148.7 Ų48.770%0.724%0.237SC*.THydrogen-bonded Turntrans-70.1-23170-70.8173.9-178.3-177.90112.2K709 K710 A711K709-K713 WeakPolarHBondContact O-CG 3.42Å; K709-K713 PolarHBondContact O-N 3.14Å; K710-K713 WeakPolarHBondContact O-CB 3.43Å; K710-K713 PolarHBondContact O-N 2.86Å; A711-K713 PolarHBondContact O-N 3.1Å; A711-K713 VanDerWaalsContact O-N 3.11Å
714R82Confident91.9Very high124 Ų12442 Ų4247%0.46821%0.211SC..THydrogen-bonded Turntrans-116.9-31.5-167.3-52.2-43-164.314624.9112.1E678 A711 A712E678-R714 VanDerWaalsContact CD-NH1 3.28Å; E678-R714 VanDerWaalsContact CD-NH2 3.29Å; E678-R714 HydrophobicContact CG-CB 3.6Å; E678-R714 HydrophobicContact CG-CG 3.66Å; E678-R714 WeakPolarHBondContact OE1-CD 3.37Å; E678-R714 WeakPolarHBondContact OE1-CG 3.45Å; E678-R714 IonicContact OE1-CZ 3.06Å; E678-R714 IonicContact OE1-NE 3.59Å; E678-R714 PolarHBondContact OE1-NE 3.49Å; E678-R714 IonicContact OE1-NH1 3.38Å; E678-R714 PolarHBondContact OE1-NH1 3.15Å; E678-R714 IonicContact OE1-NH2 3.26Å; E678-R714 PolarHBondContact OE1-NH2 2.94Å; E678-R714 IonicContact OE2-CZ 2.99Å; E678-R714 IonicContact OE2-NE 3.53Å; E678-R714 PolarHBondContact OE2-NE 3.43Å; E678-R714 IonicContact OE2-NH1 2.73Å; E678-R714 PolarHBondContact OE2-NH1 3.34Å; E678-R714 IonicContact OE2-NH2 3.51Å; E678-R714 PolarHBondContact OE2-NH2 3.43Å; A711-R714 PolarHBondContact O-N 3.28Å; A712-R714 PolarHBondContact O-N 3.48Å
715I85.9Confident91.6Very high8 Ų842 Ų424%0.04121%0.211CC..SBendtrans-121.1131.8-177.7-55.1173.9000108.5L674 F677 I686 A711 A712 A717 R719 L720L674-I715 HydrophobicContact CD2-CD1 4.4Å; F677-I715 HydrophobicContact CB-CD1 4.09Å; F677-I715 HydrophobicContact CB-CG1 4.34Å; F677-I715 HydrophobicContact CG-CD1 4.3Å; I686-I715 HydrophobicContact CD1-CD1 4.17Å; I686-I715 HydrophobicContact CG2-CD1 3.66Å; I686-I715 HydrophobicContact CG2-CG2 3.67Å; A711-I715 PolarHBondContact O-N 3.11Å; A712-I715 WeakPolarHBondContact CA-O 3.42Å; I715-A717 PolarHBondContact O-N 3.41Å; I715-R719 HydrophobicContact CG2-CB 4.16Å; I715-L720 HydrophobicContact CB-CD1 4.42Å; I715-L720 HydrophobicContact CB-CD2 3.99Å; I715-L720 HydrophobicContact CB-CG 4.21Å; I715-L720 HydrophobicContact CD1-CD2 4.25Å; I715-L720 HydrophobicContact CG2-CD2 3.92Å; I715-L720 HydrophobicContact CG2-CG 4.01Å
716P89.6Confident91.4Very high48 Ų4841.5 Ų41.531%0.31221%0.211SC..  trans-53.1135.5174.9-24.932.8000112.1E718 R719P716-E718 HydrophobicContact CB-CG 4.3Å; P716-E718 WeakPolarHBondContact CB-OE1 3.14Å; P716-E718 WeakPolarHBondContact CB-OE2 3.47Å; P716-E718 PolarHBondContact O-N 2.76Å; P716-R719 VanDerWaalsContact CD-NH2 3.33Å; P716-R719 PolarHBondContact O-N 3.36Å
717A91Very high91.3Very high37 Ų3739.3 Ų39.331%0.30619%0.194SC..G310 helixtrans-62.3-29.7-172.700000113.2W426 I715 R719 L720W426-A717 HydrophobicContact CZ2-CB 3.89Å; I715-A717 PolarHBondContact O-N 3.41Å; A717-R719 PolarHBondContact O-N 2.92Å; A717-L720 PolarHBondContact O-N 3.29Å; A717-L720 VanDerWaalsContact O-N 3.13Å
718E91.3Very high91.5Very high128 Ų12838.7 Ų38.760%0.59819%0.191SC*.G310 helixtrans-65.9-16.317566.1-88.4-154.300113.9P716P716-E718 HydrophobicContact CB-CG 4.3Å; P716-E718 WeakPolarHBondContact CB-OE1 3.14Å; P716-E718 WeakPolarHBondContact CB-OE2 3.47Å; P716-E718 PolarHBondContact O-N 2.76Å
719R93Very high91.5Very high38 Ų3840.7 Ų40.714%0.14320%0.2CC..G310 helixtrans-98.7-5.6174.8-64-164.5-66.8-166.83.1112.7D681 Y682 P683 N684 E685 I686 I715 P716 A717D681-R719 IonicContact OD1-CZ 3.74Å; D681-R719 IonicContact OD1-NH1 2.78Å; D681-R719 IonicContact OD1-NH2 3.1Å; D681-R719 PolarHBondContact OD1-NH2 3.1Å; Y682-R719 PolarHBondContact O-NH1 3.05Å; Y682-R719 PolarHBondContact O-NH2 3.29Å; P683-R719 WeakPolarHBondContact O-CD 3.47Å; P683-R719 PolarHBondContact O-NH1 3.5Å; N684-R719 WeakPolarHBondContact O-CD 3.4Å; E685-R719 CarbonylContact C-O 3.57Å; E685-R719 WeakPolarHBondContact CA-O 3.29Å; E685-R719 WeakPolarHBondContact CB-O 3.4Å; I686-R719 PolarHBondContact N-O 3.48Å; I715-R719 HydrophobicContact CG2-CB 4.16Å; P716-R719 VanDerWaalsContact CD-NH2 3.33Å; P716-R719 PolarHBondContact O-N 3.36Å; A717-R719 PolarHBondContact O-N 2.92Å
720L95.1Very high91.1Very high1 Ų138.5 Ų38.51%0.00520%0.195CC..BIsolated β-bridgetrans-92.2126.2-172.3-76.3173.2000113.4W426 P427 I686 P688 A711 A712 I715 A717W426-L720 HydrophobicContact CE3-CB 3.95Å; W426-L720 HydrophobicContact CH2-CB 4.34Å; W426-L720 HydrophobicContact CH2-CD1 3.67Å; W426-L720 HydrophobicContact CZ3-CB 3.69Å; W426-L720 HydrophobicContact CZ3-CD1 3.68Å; W426-L720 HydrophobicContact CZ3-CG 4.31Å; P427-L720 WeakPolarHBondContact CD-O 3.49Å; I686-L720 HydrophobicContact CG2-CD2 4.15Å; I686-L720 CarbonylContact O-C 3.53Å; I686-L720 WeakPolarHBondContact O-CA 3.43Å; P688-L720 HydrophobicContact CG-CD2 4.27Å; A711-L720 HydrophobicContact CB-CD1 4.26Å; A711-L720 HydrophobicContact CB-CD2 4.16Å; A712-L720 HydrophobicContact CB-CD1 3.85Å; I715-L720 HydrophobicContact CB-CD1 4.42Å; I715-L720 HydrophobicContact CB-CD2 3.99Å; I715-L720 HydrophobicContact CB-CG 4.21Å; I715-L720 HydrophobicContact CD1-CD2 4.25Å; I715-L720 HydrophobicContact CG2-CD2 3.92Å; I715-L720 HydrophobicContact CG2-CG 4.01Å; A717-L720 PolarHBondContact O-N 3.29Å; A717-L720 VanDerWaalsContact O-N 3.13Å
721W97.6Very high91.1Very high2 Ų236 Ų361%0.00818%0.183CC..  trans-101.2159.4170.4-73.263.9000111.4L423 P427 T429 V479 H639 V661 E685 I686L423-W721 HydrophobicContact CD1-CH2 3.42Å; L423-W721 VanDerWaalsContact CD1-CH2 3.42Å; L423-W721 HydrophobicContact CD1-CZ2 3.78Å; L423-W721 HydrophobicContact CD1-CZ3 4.33Å; P427-W721 HydrophobicContact CB-CD2 4.19Å; P427-W721 HydrophobicContact CB-CE3 3.97Å; P427-W721 HydrophobicContact CB-CH2 4.3Å; P427-W721 HydrophobicContact CB-CZ2 4.48Å; P427-W721 HydrophobicContact CB-CZ3 4.03Å; P427-W721 HydrophobicContact CG-CD2 3.45Å; P427-W721 VanDerWaalsContact CG-CD2 3.45Å; P427-W721 HydrophobicContact CG-CE3 3.75Å; P427-W721 HydrophobicContact CG-CG 3.83Å; P427-W721 HydrophobicContact CG-CH2 4.24Å; P427-W721 HydrophobicContact CG-CZ2 3.95Å; P427-W721 HydrophobicContact CG-CZ3 4.14Å; T429-W721 HydrophobicContact CG2-CE3 3.82Å; T429-W721 HydrophobicContact CG2-CZ3 4.14Å; V479-W721 HydrophobicContact CB-CZ3 4.2Å; V479-W721 HydrophobicContact CG2-CH2 3.85Å; V479-W721 HydrophobicContact CG2-CZ3 3.7Å; H639-W721 AromaticContact CE1-CH2 3.52Å; H639-W721 AromaticContact CE1-CZ2 3.92Å; H639-W721 AromaticContact CE1-CZ3 3.72Å; H639-W721 AromaticContact NE2-CH2 3.93Å; V661-W721 HydrophobicContact CG1-CD2 3.87Å; V661-W721 HydrophobicContact CG1-CG 3.91Å; V661-W721 HydrophobicContact CG1-CZ2 4.32Å; V661-W721 HydrophobicContact CG2-CZ2 3.77Å; E685-W721 PolarHBondContact OE2-NE1 3.11Å; I686-W721 PolarHBondContact O-N 3.03Å
722V97.7Very high91.3Very high0 Ų037.3 Ų37.30%020%0.196CC..BIsolated β-bridgetrans-119.8114.3177.9-172.70000110.1W426 P427 T428 T429 V690 L708 M743 A747W426-V722 HydrophobicContact CB-CG2 4.11Å; W426-V722 HydrophobicContact CE3-CG2 4.02Å; P427-V722 PolarHBondContact O-N 3.44Å; T428-V722 WeakPolarHBondContact CA-O 3.4Å; T428-V722 HydrophobicContact CG2-CB 4.05Å; T428-V722 HydrophobicContact CG2-CG1 4.44Å; T429-V722 PolarHBondContact N-O 3.09Å; V690-V722 HydrophobicContact CG2-CG1 4.39Å; L708-V722 HydrophobicContact CD1-CG1 3.97Å; L708-V722 HydrophobicContact CD1-CG2 3.9Å; L708-V722 HydrophobicContact CD2-CG1 4.35Å; L708-V722 HydrophobicContact CD2-CG2 3.92Å; V722-M743 HydrophobicContact CG1-CG 3.51Å; V722-M743 HydrophobicContact CG1-SD 4.14Å; V722-A747 HydrophobicContact CB-CB 4.42Å; V722-A747 HydrophobicContact CG1-CB 4.46Å; V722-A747 HydrophobicContact CG2-CB 4.03Å
723N97.5Very high91.5Very high0 Ų036.8 Ų36.80%019%0.186CC..BIsolated β-bridgetrans-149.8161.3-177.352.6-86.5000112.6T429 I431 G687 G689 V690T429-N723 HydrophobicContact CG2-CB 4.19Å; I431-N723 HydrophobicContact CD1-CB 3.99Å; G687-N723 VanDerWaalsContact C-OD1 3.29Å; G687-N723 WeakPolarHBondContact CA-OD1 3.49Å; G687-N723 PolarHBondContact O-ND2 2.85Å; G687-N723 VanDerWaalsContact O-ND2 3.11Å; G687-N723 PolarHBondContact O-OD1 2.71Å; G689-N723 WeakPolarHBondContact CA-O 3.49Å; V690-N723 WeakPolarHBondContact CG2-O 3.35Å; V690-N723 PolarHBondContact N-O 3Å
724P95.2Very high91.8Very high0 Ų033.7 Ų33.70%018%0.182CC..  trans-66.2170.1167.1-16.431.5000112.4T430 Y691 I693 C726 L740 M743T430-P724 HydrophobicContact CG2-CG 4.47Å; Y691-P724 HydrophobicContact CD1-CB 4.2Å; I693-P724 HydrophobicContact CG2-CB 3.63Å; P724-C726 PolarHBondContact O-N 2.83Å; P724-L740 HydrophobicContact CG-CD2 3.94Å; P724-M743 HydrophobicContact CG-SD 4.19Å
725D89.2Confident92.3Very high0 Ų029.9 Ų29.90%017%0.169CC..SBendtrans-63.3-34.6176.6-89.5-13.4000114.3H641 E665 T666 S667 G689 Y691 I693H641-D725 PolarHBondContact CE1-O 3.34Å; H641-D725 PolarHBondContact NE2-O 3.49Å; E665-D725 HydrophobicContact CB-CB 4.32Å; E665-D725 HydrophobicContact CG-CB 3.88Å; T666-D725 PolarHBondContact N-OD1 3.44Å; S667-D725 WeakPolarHBondContact CB-OD2 3.4Å; S667-D725 PolarHBondContact N-OD1 3.11Å; S667-D725 PolarHBondContact N-OD2 3.24Å; S667-D725 PolarHBondContact OG-OD2 3.34Å; G689-D725 VanDerWaalsContact C-OD1 3.32Å; G689-D725 VanDerWaalsContact CA-OD1 3.23Å; G689-D725 WeakPolarHBondContact CA-OD1 3.43Å; Y691-D725 VanDerWaalsContact O-CB 3.32Å; Y691-D725 WeakPolarHBondContact O-CB 3.27Å; Y691-D725 PolarHBondContact O-N 3.08Å; Y691-D725 VanDerWaalsContact O-N 3.11Å; I693-D725 HydrophobicContact CG1-CB 4.45Å
726C90.6Very high92.8Very high21 Ų2129.6 Ų29.614%0.14217%0.168CC..SBendtrans-161.2-170-177.3-166.40000109.9I693 P724I693-C726 HydrophobicContact CD1-CB 3.87Å; I693-C726 HydrophobicContact CG1-CB 3.65Å; P724-C726 PolarHBondContact O-N 2.83Å
727G91.3Very high93.2Very high11 Ų1131.2 Ų31.211%0.11317%0.168CC..  trans-64.7151.9176.500000114.4S433S433-G727 WeakPolarHBondContact OG-CA 3.11Å
728L94.5Very high93.5Very high1 Ų131.3 Ų31.31%0.00517%0.168CC..  trans-95.19.7-172-61.9158.9000113.5T430 S433 F434 Y691 I693 T730 R731 T736 L740T430-L728 HydrophobicContact CG2-CD1 4.33Å; S433-L728 WeakPolarHBondContact O-CA 3.41Å; S433-L728 WeakPolarHBondContact O-CB 3.47Å; S433-L728 PolarHBondContact O-N 3.05Å; S433-L728 PolarHBondContact OG-N 3.37Å; F434-L728 HydrophobicContact CD1-CD1 4.09Å; F434-L728 HydrophobicContact CE1-CD1 3.83Å; Y691-L728 HydrophobicContact CE1-CD2 4.1Å; I693-L728 HydrophobicContact CB-CD2 4.41Å; I693-L728 HydrophobicContact CG2-CD2 3.7Å; L728-T730 PolarHBondContact O-N 2.83Å; L728-R731 HydrophobicContact CD2-CG 4.33Å; L728-R731 PolarHBondContact O-N 2.86Å; L728-T736 HydrophobicContact CD1-CG2 3.86Å; L728-L740 HydrophobicContact CD1-CD1 3.96Å; L728-L740 HydrophobicContact CD1-CD2 4.4Å; L728-L740 HydrophobicContact CD1-CG 4.47Å
729K91.2Very high93.8Very high43 Ų4325.3 Ų25.319%0.18714%0.141CC..THydrogen-bonded Turntrans-46.1-37.8179.7-173.6178.3-177.3174.40115S433 F434 Q436 N488S433-K729 WeakPolarHBondContact OG-CB 3.42Å; S433-K729 PolarHBondContact OG-N 2.76Å; F434-K729 WeakPolarHBondContact O-CA 3.21Å; Q436-K729 HydrophobicContact CB-CG 3.86Å; Q436-K729 PolarHBondContact N-O 3.01Å; N488-K729 WeakPolarHBondContact O-CE 3.42Å; N488-K729 PolarHBondContact O-NZ 3.25Å
730T85.1Confident94Very high57 Ų5723.5 Ų23.535%0.3513%0.134SC..THydrogen-bonded Turntrans-92.43.2-173.9700000113.9L728L728-T730 PolarHBondContact O-N 2.83Å
731R88.4Confident94.2Very high38 Ų3825.4 Ų25.414%0.14315%0.15CC..SBendtrans-99.5162.6176.5-59.5-58.174.2139.78.4111.4P435 I693 H694 S695 L728 E735 T736P435-R731 WeakPolarHBondContact CA-O 3.46Å; P435-R731 WeakPolarHBondContact CB-O 3.5Å; P435-R731 WeakPolarHBondContact CG-O 3.44Å; I693-R731 VanDerWaalsContact O-CD 3.3Å; I693-R731 WeakPolarHBondContact O-CD 3.39Å; I693-R731 PolarHBondContact O-NE 3.45Å; I693-R731 PolarHBondContact O-NH1 3.4Å; H694-R731 PolarHBondContact O-NH1 2.93Å; S695-R731 VanDerWaalsContact N-NH1 3.1Å; S695-R731 PolarHBondContact O-NH1 3.33Å; L728-R731 HydrophobicContact CD2-CG 4.33Å; L728-R731 PolarHBondContact O-N 2.86Å; R731-E735 HydrophobicContact CB-CG 4.13Å; R731-T736 WeakPolarHBondContact CB-OG1 3.43Å
732G91.9Very high94.2Very high26 Ų2627.5 Ų27.527%0.26816%0.161SC..  trans-90.5158.1163.100000111.9P734 E735 T736G732-P734 VanDerWaalsContact C-CD 3.45Å; G732-E735 VanDerWaalsContact C-OE2 3.29Å; G732-E735 WeakPolarHBondContact CA-OE1 3.44Å; G732-E735 WeakPolarHBondContact CA-OE2 3.38Å; G732-E735 PolarHBondContact N-OE1 3.38Å; G732-E735 WeakPolarHBondContact O-CG 3.32Å; G732-E735 VanDerWaalsContact O-OE2 3.07Å; G732-T736 WeakPolarHBondContact O-CB 3.3Å; G732-T736 PolarHBondContact O-N 3.47Å; G732-T736 VanDerWaalsContact O-N 3.09Å; G732-T736 PolarHBondContact O-OG1 2.73Å
733W95Very high94.3Very high29 Ų2927.7 Ų27.711%0.1116%0.162CC..Hα-helixtrans-59.1-38.4178.8-81.3108.8000115.1F434 P435 E471 T736 R737F434-W733 HydrophobicContact CB-CH2 4.23Å; F434-W733 HydrophobicContact CB-CZ2 4.3Å; F434-W733 AromaticContact CD1-CH2 3.71Å; F434-W733 HydrophobicContact CD1-CH2 3.71Å; F434-W733 HydrophobicContact CD1-CZ2 4.5Å; F434-W733 AromaticContact CD1-CZ3 3.9Å; F434-W733 HydrophobicContact CD1-CZ3 3.9Å; F434-W733 HydrophobicContact CE1-CH2 4.3Å; F434-W733 HydrophobicContact CE1-CZ3 4.2Å; F434-W733 AromaticContact CG-CH2 3.97Å; F434-W733 HydrophobicContact CG-CH2 3.97Å; P435-W733 HydrophobicContact CB-CD2 4.42Å; P435-W733 HydrophobicContact CB-CG 4.29Å; P435-W733 HydrophobicContact CG-CD2 4.07Å; P435-W733 HydrophobicContact CG-CG 4.19Å; E471-W733 HydrophobicContact CB-CH2 4.41Å; E471-W733 HydrophobicContact CB-CZ3 4.08Å; E471-W733 HydrophobicContact CG-CH2 4.3Å; E471-W733 HydrophobicContact CG-CZ3 4.04Å; W733-T736 HydrophobicContact CE3-CG2 4.49Å; W733-T736 PolarHBondContact O-N 2.81Å; W733-R737 HydrophobicContact CE3-CG 4.33Å; W733-R737 WeakPolarHBondContact O-CB 3.16Å; W733-R737 VanDerWaalsContact O-CG 3.31Å; W733-R737 WeakPolarHBondContact O-CG 3.38Å; W733-R737 PolarHBondContact O-N 3.41Å
734P95.2Very high94.3Very high95 Ų9527.9 Ų27.962%0.61716%0.163SC*.Hα-helixtrans-58.6-51.3-179.9-26.136.3000113.2G732 A738G732-P734 VanDerWaalsContact C-CD 3.45Å; P734-A738 PolarHBondContact O-N 2.88Å
735E93.2Very high94.5Very high45 Ų4531.3 Ų31.321%0.2118%0.179CC..Hα-helixtrans-70.4-35.8178.565.2-89.1-144.900112.1V698 R731 G732 A738 A739V698-E735 HydrophobicContact CG2-CB 3.98Å; R731-E735 HydrophobicContact CB-CG 4.13Å; G732-E735 VanDerWaalsContact C-OE2 3.29Å; G732-E735 WeakPolarHBondContact CA-OE1 3.44Å; G732-E735 WeakPolarHBondContact CA-OE2 3.38Å; G732-E735 PolarHBondContact N-OE1 3.38Å; G732-E735 WeakPolarHBondContact O-CG 3.32Å; G732-E735 VanDerWaalsContact O-OE2 3.07Å; E735-A738 PolarHBondContact O-N 3.12Å; E735-A739 VanDerWaalsContact O-CB 3.3Å; E735-A739 WeakPolarHBondContact O-CB 3.19Å; E735-A739 PolarHBondContact O-N 3.18Å
736T96.1Very high94.9Very high1 Ų131.3 Ų31.31%0.00618%0.179CC..Hα-helixtrans-60.5-47.8174.9-69.60000111.5F434 P435 L728 R731 G732 W733 A738 L740F434-T736 HydrophobicContact CD1-CG2 4.04Å; F434-T736 HydrophobicContact CE1-CG2 3.92Å; P435-T736 HydrophobicContact CG-CG2 4.45Å; L728-T736 HydrophobicContact CD1-CG2 3.86Å; R731-T736 WeakPolarHBondContact CB-OG1 3.43Å; G732-T736 WeakPolarHBondContact O-CB 3.3Å; G732-T736 PolarHBondContact O-N 3.47Å; G732-T736 VanDerWaalsContact O-N 3.09Å; G732-T736 PolarHBondContact O-OG1 2.73Å; W733-T736 HydrophobicContact CE3-CG2 4.49Å; W733-T736 PolarHBondContact O-N 2.81Å; T736-A738 PolarHBondContact O-N 2.86Å; T736-L740 HydrophobicContact CG2-CD1 3.76Å; T736-L740 HydrophobicContact CG2-CG 4.36Å; T736-L740 WeakPolarHBondContact O-CB 3.48Å; T736-L740 VanDerWaalsContact O-CG 3.26Å; T736-L740 WeakPolarHBondContact O-CG 3.5Å; T736-L740 PolarHBondContact O-N 3.12Å
737R97.4Very high95.3Very high82 Ų8230.3 Ų30.331%0.30917%0.173SC..Hα-helixtrans-62.4-45.3178.7-73-178.1-170.6112.5-1.4111.4E471 W733 A741E471-R737 VanDerWaalsContact CD-NE 3.35Å; E471-R737 IonicContact OE1-CZ 2.76Å; E471-R737 IonicContact OE1-NE 3.47Å; E471-R737 PolarHBondContact OE1-NE 2.7Å; E471-R737 IonicContact OE1-NH2 2.8Å; E471-R737 PolarHBondContact OE1-NH2 3.04Å; E471-R737 IonicContact OE2-CZ 2.69Å; E471-R737 IonicContact OE2-NE 3.01Å; E471-R737 PolarHBondContact OE2-NE 3.34Å; E471-R737 IonicContact OE2-NH2 2.83Å; W733-R737 HydrophobicContact CE3-CG 4.33Å; W733-R737 WeakPolarHBondContact O-CB 3.16Å; W733-R737 VanDerWaalsContact O-CG 3.31Å; W733-R737 WeakPolarHBondContact O-CG 3.38Å; W733-R737 PolarHBondContact O-N 3.41Å; R737-A741 VanDerWaalsContact O-CB 3.24Å; R737-A741 WeakPolarHBondContact O-CB 3.5Å; R737-A741 PolarHBondContact O-N 3.38Å
738A97.3Very high95.6Very high39 Ų3933.2 Ų33.232%0.32218%0.183SC..Hα-helixtrans-64.8-46.1-178.500000112V698 P734 E735 T736 A741 N742V698-A738 HydrophobicContact CG1-CB 3.8Å; V698-A738 HydrophobicContact CG2-CB 4.07Å; P734-A738 PolarHBondContact O-N 2.88Å; E735-A738 PolarHBondContact O-N 3.12Å; T736-A738 PolarHBondContact O-N 2.86Å; A738-A741 PolarHBondContact O-N 2.83Å; A738-N742 PolarHBondContact O-N 3.07Å; A738-N742 VanDerWaalsContact O-N 3.12Å
739A97.3Very high95.7Very high2 Ų235.3 Ų35.32%0.01720%0.195CC..Hα-helixtrans-64.9-44.4179.200000112.1Y691 V698 P699 E735 N742 M743Y691-A739 HydrophobicContact CD1-CB 3.88Å; Y691-A739 HydrophobicContact CE1-CB 3.6Å; Y691-A739 HydrophobicContact CE2-CB 4.44Å; Y691-A739 HydrophobicContact CG-CB 4.41Å; V698-A739 HydrophobicContact CG1-CB 4.4Å; P699-A739 HydrophobicContact CG-CB 4.47Å; E735-A739 VanDerWaalsContact O-CB 3.3Å; E735-A739 WeakPolarHBondContact O-CB 3.19Å; E735-A739 PolarHBondContact O-N 3.18Å; A739-N742 PolarHBondContact O-N 3.46Å; A739-M743 WeakPolarHBondContact O-CB 3.36Å; A739-M743 PolarHBondContact O-N 3.38Å
740L98.2Very high96Very high1 Ų134.3 Ų34.31%0.00519%0.191CC..Hα-helixtrans-69.4-35.5179-67179.3000112.6T430 F434 L475 P724 L728 T736 N742 M743 V744T430-L740 HydrophobicContact CG2-CD1 4.1Å; T430-L740 HydrophobicContact CG2-CD2 3.79Å; F434-L740 HydrophobicContact CE1-CD1 3.86Å; F434-L740 HydrophobicContact CZ-CD1 4.27Å; L475-L740 HydrophobicContact CD1-CB 3.83Å; L475-L740 HydrophobicContact CD1-CD1 3.98Å; P724-L740 HydrophobicContact CG-CD2 3.94Å; L728-L740 HydrophobicContact CD1-CD1 3.96Å; L728-L740 HydrophobicContact CD1-CD2 4.4Å; L728-L740 HydrophobicContact CD1-CG 4.47Å; T736-L740 HydrophobicContact CG2-CD1 3.76Å; T736-L740 HydrophobicContact CG2-CG 4.36Å; T736-L740 WeakPolarHBondContact O-CB 3.48Å; T736-L740 VanDerWaalsContact O-CG 3.26Å; T736-L740 WeakPolarHBondContact O-CG 3.5Å; T736-L740 PolarHBondContact O-N 3.12Å; L740-N742 VanDerWaalsContact C-N 3.33Å; L740-N742 PolarHBondContact O-N 3.15Å; L740-M743 HydrophobicContact CD2-CE 3.76Å; L740-M743 HydrophobicContact CD2-SD 4.28Å; L740-M743 PolarHBondContact O-N 2.83Å; L740-V744 WeakPolarHBondContact O-CG2 3.34Å; L740-V744 PolarHBondContact O-N 2.96Å
741A98.4Very high96.5Very high41 Ų4135.1 Ų35.134%0.33919%0.188SC..Hα-helixtrans-61.2-44.1173.600000111.2L475 R737 A738 M743 V744 Q745L475-A741 HydrophobicContact CD2-CB 3.86Å; R737-A741 VanDerWaalsContact O-CB 3.24Å; R737-A741 WeakPolarHBondContact O-CB 3.5Å; R737-A741 PolarHBondContact O-N 3.38Å; A738-A741 PolarHBondContact O-N 2.83Å; A741-M743 VanDerWaalsContact C-N 3.34Å; A741-M743 PolarHBondContact O-N 3.42Å; A741-V744 PolarHBondContact O-N 3.34Å; A741-Q745 WeakPolarHBondContact O-CB 3.1Å; A741-Q745 PolarHBondContact O-N 3.45Å
742N98.4Very high96.7Very high46 Ų4642 Ų4225%0.24621%0.214CC..Hα-helixtrans-64.2-39.5176-69.1-7.8000111.8P699 V701 I704 A738 A739 L740 Q745 A746P699-N742 PolarHBondContact O-ND2 2.78Å; V701-N742 HydrophobicContact CG2-CB 3.8Å; I704-N742 HydrophobicContact CD1-CB 4.12Å; A738-N742 PolarHBondContact O-N 3.07Å; A738-N742 VanDerWaalsContact O-N 3.12Å; A739-N742 PolarHBondContact O-N 3.46Å; L740-N742 VanDerWaalsContact C-N 3.33Å; L740-N742 PolarHBondContact O-N 3.15Å; N742-Q745 PolarHBondContact O-N 2.82Å; N742-A746 WeakPolarHBondContact O-CB 3.4Å; N742-A746 PolarHBondContact O-N 3.44Å
743M98.2Very high96.1Very high3 Ų346.5 Ų46.52%0.01526%0.26CS..Hα-helixtrans-63.5-47.1177.3-173.5-176.482.200112.5T429 L477 V690 I704 V722 P724 A739 L740 A741 Q745 A746 A747T429-M743 WeakPolarHBondContact O-CE 3.47Å; L477-M743 HydrophobicContact CD2-CE 3.89Å; V690-M743 HydrophobicContact CG2-CG 3.95Å; V690-M743 HydrophobicContact CG2-SD 4.1Å; I704-M743 HydrophobicContact CD1-CB 4.11Å; V722-M743 HydrophobicContact CG1-CG 3.51Å; V722-M743 HydrophobicContact CG1-SD 4.14Å; P724-M743 HydrophobicContact CG-SD 4.19Å; A739-M743 WeakPolarHBondContact O-CB 3.36Å; A739-M743 PolarHBondContact O-N 3.38Å; L740-M743 HydrophobicContact CD2-CE 3.76Å; L740-M743 HydrophobicContact CD2-SD 4.28Å; L740-M743 PolarHBondContact O-N 2.83Å; A741-M743 VanDerWaalsContact C-N 3.34Å; A741-M743 PolarHBondContact O-N 3.42Å; M743-Q745 VanDerWaalsContact C-N 3.33Å; M743-Q745 PolarHBondContact O-N 2.94Å; M743-A746 PolarHBondContact O-N 2.96Å; M743-A747 PolarHBondContact O-N 2.73Å; M743-A747 VanDerWaalsContact O-N 3.1Å
744V98.5Very high96.2Very high4 Ų447.4 Ų47.42%0.02427%0.267CS..Hα-helixtrans-64.5-40.7176.5174.50000110.5T428 L475 L477 L740 A741 A746 A747 Q748T428-V744 HydrophobicContact CG2-CG2 4.4Å; L475-V744 WeakPolarHBondContact O-CG1 3.42Å; L477-V744 HydrophobicContact CD2-CG2 3.74Å; L477-V744 HydrophobicContact CG-CG2 4.11Å; L740-V744 WeakPolarHBondContact O-CG2 3.34Å; L740-V744 PolarHBondContact O-N 2.96Å; A741-V744 PolarHBondContact O-N 3.34Å; V744-A746 VanDerWaalsContact C-N 3.33Å; V744-A746 PolarHBondContact O-N 3.02Å; V744-A747 PolarHBondContact O-N 3.06Å; V744-Q748 HydrophobicContact CG1-CG 4.27Å; V744-Q748 VanDerWaalsContact O-CG 3.3Å; V744-Q748 WeakPolarHBondContact O-CG 3.2Å; V744-Q748 PolarHBondContact O-N 2.63Å
745Q98.5Very high96.2Very high72 Ų7244.8 Ų44.834%0.33625%0.249SC..Hα-helixtrans-61-41.5176.6-17559.379.100112.2V701 A741 N742 M743 Q748 N749V701-Q745 HydrophobicContact CG1-CG 4.22Å; V701-Q745 HydrophobicContact CG2-CB 4.25Å; V701-Q745 HydrophobicContact CG2-CG 4.24Å; A741-Q745 WeakPolarHBondContact O-CB 3.1Å; A741-Q745 PolarHBondContact O-N 3.45Å; N742-Q745 PolarHBondContact O-N 2.82Å; M743-Q745 VanDerWaalsContact C-N 3.33Å; M743-Q745 PolarHBondContact O-N 2.94Å; Q745-Q748 PolarHBondContact O-N 3.23Å; Q745-N749 PolarHBondContact NE2-OD1 3.05Å; Q745-N749 PolarHBondContact O-N 2.98Å; Q745-N749 PolarHBondContact O-OD1 3.06Å
746A98.1Very high96.4Very high0 Ų044.8 Ų44.80%025%0.251CS..Hα-helixtrans-61.9-46.4175.800000111.7V701 I704 E705 N742 M743 V744 Q748 N749 L750V701-A746 HydrophobicContact CG1-CB 4.07Å; I704-A746 HydrophobicContact CB-CB 4Å; I704-A746 HydrophobicContact CG2-CB 3.56Å; E705-A746 HydrophobicContact CG-CB 3.78Å; N742-A746 WeakPolarHBondContact O-CB 3.4Å; N742-A746 PolarHBondContact O-N 3.44Å; M743-A746 PolarHBondContact O-N 2.96Å; V744-A746 VanDerWaalsContact C-N 3.33Å; V744-A746 PolarHBondContact O-N 3.02Å; A746-Q748 PolarHBondContact O-N 2.72Å; A746-N749 WeakPolarHBondContact O-CB 3.41Å; A746-N749 PolarHBondContact O-N 2.91Å; A746-N749 VanDerWaalsContact O-N 3.16Å; A746-L750 WeakPolarHBondContact O-CG 3.25Å; A746-L750 PolarHBondContact O-N 3.1Å; A746-L750 VanDerWaalsContact O-N 3.08Å
747A98.1Very high96.4Very high0 Ų047.4 Ų47.40%027%0.265CS..Hα-helixtrans-61.1-42.9176.300000112W426 T428 V722 M743 V744 N749 L750 R751W426-A747 HydrophobicContact CB-CB 4.42Å; T428-A747 HydrophobicContact CG2-CB 3.36Å; V722-A747 HydrophobicContact CB-CB 4.42Å; V722-A747 HydrophobicContact CG1-CB 4.46Å; V722-A747 HydrophobicContact CG2-CB 4.03Å; M743-A747 PolarHBondContact O-N 2.73Å; M743-A747 VanDerWaalsContact O-N 3.1Å; V744-A747 PolarHBondContact O-N 3.06Å; A747-N749 VanDerWaalsContact C-N 3.29Å; A747-N749 PolarHBondContact O-N 2.79Å; A747-L750 PolarHBondContact O-N 3.05Å; A747-R751 VanDerWaalsContact O-CG 3.31Å; A747-R751 WeakPolarHBondContact O-CG 3.4Å; A747-R751 PolarHBondContact O-N 3.47Å
748Q98Very high96.4Very high73 Ų7345.3 Ų45.334%0.34126%0.263SS..Hα-helixtrans-63.3-32.5175.3-71.7175.40.300113.2V744 Q745 A746 R752V744-Q748 HydrophobicContact CG1-CG 4.27Å; V744-Q748 VanDerWaalsContact O-CG 3.3Å; V744-Q748 WeakPolarHBondContact O-CG 3.2Å; V744-Q748 PolarHBondContact O-N 2.63Å; Q745-Q748 PolarHBondContact O-N 3.23Å; A746-Q748 PolarHBondContact O-N 2.72Å; Q748-R752 WeakPolarHBondContact O-CG 3.44Å; Q748-R752 PolarHBondContact O-NE 3.18Å
749N97.8Very high96.3Very high45 Ų4545.7 Ų45.724%0.24126%0.259CS..Hα-helixtrans-67.5-44.7173.9-69.2-9.9000111E705 Q745 A746 A747 R751 R752 G753E705-N749 WeakPolarHBondContact OE1-CB 3.28Å; E705-N749 PolarHBondContact OE1-ND2 2.94Å; Q745-N749 PolarHBondContact NE2-OD1 3.05Å; Q745-N749 PolarHBondContact O-N 2.98Å; Q745-N749 PolarHBondContact O-OD1 3.06Å; A746-N749 WeakPolarHBondContact O-CB 3.41Å; A746-N749 PolarHBondContact O-N 2.91Å; A746-N749 VanDerWaalsContact O-N 3.16Å; A747-N749 VanDerWaalsContact C-N 3.29Å; A747-N749 PolarHBondContact O-N 2.79Å; N749-R751 VanDerWaalsContact C-N 3.31Å; N749-R751 PolarHBondContact O-N 3.12Å; N749-R752 PolarHBondContact O-N 2.73Å; N749-R752 VanDerWaalsContact O-N 3.15Å; N749-R752 PolarHBondContact OD1-NH2 3.4Å; N749-G753 PolarHBondContact O-N 2.7Å
750L96.3Very high96.2Very high21 Ų2148.8 Ų48.811%0.1128%0.276CS..Hα-helixtrans-68-26.4178.1-64.2176.8000113.9W426 L708 K709 A746 A747 R752W426-L750 HydrophobicContact CD2-CB 4.25Å; W426-L750 HydrophobicContact CD2-CD1 4.13Å; W426-L750 HydrophobicContact CE3-CD1 4.11Å; W426-L750 HydrophobicContact CG-CB 4.27Å; W426-L750 HydrophobicContact CH2-CD1 4.04Å; W426-L750 HydrophobicContact CZ2-CB 4.45Å; W426-L750 HydrophobicContact CZ2-CD1 4.11Å; W426-L750 HydrophobicContact CZ3-CD1 4.07Å; L708-L750 HydrophobicContact CB-CD1 3.56Å; L708-L750 HydrophobicContact CD1-CD1 3.56Å; L708-L750 HydrophobicContact CG-CD1 4.19Å; K709-L750 HydrophobicContact CD-CD2 4.45Å; K709-L750 HydrophobicContact CG-CD2 4.06Å; A746-L750 WeakPolarHBondContact O-CG 3.25Å; A746-L750 PolarHBondContact O-N 3.1Å; A746-L750 VanDerWaalsContact O-N 3.08Å; A747-L750 PolarHBondContact O-N 3.05Å; L750-R752 VanDerWaalsContact C-N 3.26Å; L750-R752 PolarHBondContact O-N 3.44Å
751R95.5Very high96.1Very high74 Ų7452.5 Ų52.528%0.27930%0.297SS..THydrogen-bonded Turntrans-69.9-22.1172.6-70.2167.9-167.6175.94113.4A425 W426 D478 A747 N749A425-R751 WeakPolarHBondContact O-CD 3.35Å; A425-R751 VanDerWaalsContact O-CG 3.3Å; A425-R751 WeakPolarHBondContact O-CG 3.41Å; A425-R751 PolarHBondContact O-NE 3.06Å; W426-R751 HydrophobicContact CB-CG 4.4Å; W426-R751 PolarHBondContact O-NH2 2.73Å; D478-R751 IonicContact OD1-NH1 2.83Å; D478-R751 IonicContact OD1-NH2 3.22Å; D478-R751 IonicContact OD2-CZ 2.65Å; D478-R751 IonicContact OD2-NH1 3.66Å; D478-R751 IonicContact OD2-NH2 3.59Å; D478-R751 PolarHBondContact OD2-NH2 3.36Å; A747-R751 VanDerWaalsContact O-CG 3.31Å; A747-R751 WeakPolarHBondContact O-CG 3.4Å; A747-R751 PolarHBondContact O-N 3.47Å; N749-R751 VanDerWaalsContact C-N 3.31Å; N749-R751 PolarHBondContact O-N 3.12Å
752R92.3Very high95.9Very high183 Ų18353.4 Ų53.469%0.69129%0.293SS*.THydrogen-bonded Turntrans-98.9-23.7-174.9-71.1-175.3-69.3-177.60.2113.8Q748 N749 L750Q748-R752 WeakPolarHBondContact O-CG 3.44Å; Q748-R752 PolarHBondContact O-NE 3.18Å; N749-R752 PolarHBondContact O-N 2.73Å; N749-R752 VanDerWaalsContact O-N 3.15Å; N749-R752 PolarHBondContact OD1-NH2 3.4Å; L750-R752 VanDerWaalsContact C-N 3.26Å; L750-R752 PolarHBondContact O-N 3.44Å
753G81Confident95.7Very high120 Ų12054.1 Ų54.1100%1.23730%0.298SS*.  trans-89017600000110.7N749N749-G753 PolarHBondContact O-N 2.7Å

Retrieved 753 of 753 residues in 755.9 ms (Link to these results)

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