A0A077Z3Z3_TRITR Loading...

Glyco hydro 4C and Glyco hydro 4 domain containin g protein

AlphaFold DB , UniProt , Accession A0A077Z3Z3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 419 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
1M87.4Confident93.1Very high46 Ų4655.9 Ų55.923%0.22730%0.303CS..  0-79.10-178.6-149.840.600112.7L3 A4 N5 A298 I301 V302M1-L3 PolarHBondContact O-N 2.8Å; M1-A4 WeakPolarHBondContact O-CB 3.18Å; M1-A4 PolarHBondContact O-N 3.48Å; M1-N5 PolarHBondContact O-N 2.88Å; M1-N5 PolarHBondContact O-ND2 2.88Å; M1-A298 HydrophobicContact CB-CB 4.18Å; M1-A298 HydrophobicContact CG-CB 4.14Å; M1-A298 VanDerWaalsContact SD-C 3.55Å; M1-A298 HydrophobicContact SD-CB 3.75Å; M1-I301 HydrophobicContact SD-CB 4.01Å; M1-I301 HydrophobicContact SD-CD1 4.31Å; M1-V302 HydrophobicContact CE-CG2 4.42Å; M1-V302 HydrophobicContact CG-CG2 3.63Å; M1-V302 HydrophobicContact SD-CG2 3.55Å; M1-V302 VanDerWaalsContact SD-CG2 3.55Å
2L91.9Very high93.5Very high24 Ų2461.9 Ų61.913%0.12632%0.318CS..G310 helixtrans-50.1-51.5-173.5-78.7174000114A4 N5 F9 L11 L14 M61 V302L2-A4 PolarHBondContact O-N 3.4Å; L2-N5 PolarHBondContact O-N 2.96Å; L2-F9 HydrophobicContact CD2-CD1 4.05Å; L2-F9 HydrophobicContact CD2-CE1 4.19Å; L2-L11 HydrophobicContact CB-CD1 3.94Å; L2-L11 HydrophobicContact CD1-CD1 3.97Å; L2-L11 HydrophobicContact CD2-CD1 4.18Å; L2-L11 HydrophobicContact CG-CD1 4.23Å; L2-L14 HydrophobicContact CD1-CD1 3.91Å; L2-L14 HydrophobicContact CD1-CD2 4.35Å; L2-M61 HydrophobicContact CD1-SD 4.3Å; L2-M61 HydrophobicContact CD2-CE 3.79Å; L2-M61 HydrophobicContact CD2-SD 4.24Å; L2-V302 HydrophobicContact CD2-CG2 4.14Å
3L91.8Very high93.9Very high48 Ų4859.5 Ų59.525%0.25131%0.313SS..G310 helixtrans-63.8-26.8-179.8-60.2-176.9000114.1M1 N5 I34 L35 K38 A39 I42M1-L3 PolarHBondContact O-N 2.8Å; L3-N5 PolarHBondContact O-N 3.11Å; L3-I34 HydrophobicContact CD1-CG2 4.1Å; L3-L35 HydrophobicContact CD1-CD2 3.88Å; L3-L35 HydrophobicContact CD1-CG 4.46Å; L3-L35 HydrophobicContact CD2-CD2 3.63Å; L3-L35 HydrophobicContact CG-CD2 4.22Å; L3-K38 HydrophobicContact CD1-CB 4.3Å; L3-A39 HydrophobicContact CD2-CB 3.86Å; L3-I42 HydrophobicContact CD2-CD1 3.64Å
4A90.6Very high94.2Very high53 Ų5357.8 Ų57.844%0.43830%0.304SS..G310 helixtrans-79.8-7.3178.200000112.7M1 L2 I294M1-A4 WeakPolarHBondContact O-CB 3.18Å; M1-A4 PolarHBondContact O-N 3.48Å; L2-A4 PolarHBondContact O-N 3.4Å; A4-I294 HydrophobicContact CB-CD1 4.18Å; A4-I294 HydrophobicContact CB-CG2 4.33Å
5N92.4Very high94.5Very high26 Ų2658.2 Ų58.214%0.13930%0.302CS..G310 helixtrans-124.324.3-176-69-94.5000111.8M1 L2 L3 D7 R8 F9 V302M1-N5 PolarHBondContact O-N 2.88Å; M1-N5 PolarHBondContact O-ND2 2.88Å; L2-N5 PolarHBondContact O-N 2.96Å; L3-N5 PolarHBondContact O-N 3.11Å; N5-D7 VanDerWaalsContact C-OD1 3.23Å; N5-D7 WeakPolarHBondContact CA-OD1 3.33Å; N5-D7 PolarHBondContact O-N 3.47Å; N5-R8 HydrophobicContact CB-CG 3.81Å; N5-R8 VanDerWaalsContact O-CG 3.22Å; N5-R8 WeakPolarHBondContact O-CG 3.47Å; N5-R8 PolarHBondContact O-N 3.1Å; N5-R8 WeakPolarHBondContact OD1-CD 3.49Å; N5-F9 PolarHBondContact O-N 2.94Å; N5-V302 HydrophobicContact CB-CB 4.46Å; N5-V302 HydrophobicContact CB-CG1 3.8Å; N5-V302 HydrophobicContact CB-CG2 4.4Å
6Q92.5Very high94.8Very high66 Ų6658 Ų5831%0.30830%0.298SS..THydrogen-bonded Turntrans-65.2-25.5-178.9-77.9-156.130.700114.1R8 P10Q6-R8 PolarHBondContact O-N 3.37Å; Q6-P10 WeakPolarHBondContact O-CA 3.16Å
7D93.4Very high95Very high142 Ų14258 Ų5876%0.75929%0.294SS*.THydrogen-bonded Turntrans-61.7-33.8174.561.8-47.3000112.2N5N5-D7 VanDerWaalsContact C-OD1 3.23Å; N5-D7 WeakPolarHBondContact CA-OD1 3.33Å; N5-D7 PolarHBondContact O-N 3.47Å
8R92.6Very high95.2Very high74 Ų7457.6 Ų57.628%0.27929%0.293SS..THydrogen-bonded Turntrans-108.1-15.5-179.462.1176-66.8-162.92.5114.4N5 Q6 D303 F310N5-R8 HydrophobicContact CB-CG 3.81Å; N5-R8 VanDerWaalsContact O-CG 3.22Å; N5-R8 WeakPolarHBondContact O-CG 3.47Å; N5-R8 PolarHBondContact O-N 3.1Å; N5-R8 WeakPolarHBondContact OD1-CD 3.49Å; Q6-R8 PolarHBondContact O-N 3.37Å; R8-D303 IonicContact CZ-OD1 3.66Å; R8-D303 IonicContact NH1-OD1 2.84Å; R8-D303 PolarHBondContact NH1-OD1 2.63Å; R8-D303 IonicContact NH2-OD1 3.54Å; R8-D303 PolarHBondContact NH2-OD1 3.36Å; R8-F310 WeakPolarHBondContact O-CE2 3.41Å
9F95.9Very high95.4Very high16 Ų1661.5 Ų61.57%0.0732%0.315CS..SBendtrans-14876.2178.9-167.7-111.4000110.1L2 N5 L11 F59 M61 V302 A305 A306 A309 F310L2-F9 HydrophobicContact CD2-CD1 4.05Å; L2-F9 HydrophobicContact CD2-CE1 4.19Å; N5-F9 PolarHBondContact O-N 2.94Å; F9-L11 HydrophobicContact CD1-CD2 3.85Å; F9-L11 HydrophobicContact CE1-CD2 3.56Å; F9-L11 HydrophobicContact CZ-CD2 4.45Å; F9-F59 HydrophobicContact CE2-CD2 4.3Å; F9-F59 AromaticContact CE2-CE2 3.87Å; F9-F59 HydrophobicContact CE2-CE2 3.87Å; F9-F59 HydrophobicContact CE2-CZ 4.48Å; F9-F59 AromaticContact CZ-CD2 3.75Å; F9-F59 HydrophobicContact CZ-CD2 3.75Å; F9-F59 AromaticContact CZ-CE2 3.81Å; F9-F59 HydrophobicContact CZ-CE2 3.81Å; F9-M61 HydrophobicContact CE1-CE 4.41Å; F9-V302 HydrophobicContact CB-CG1 3.59Å; F9-V302 HydrophobicContact CD1-CG1 4.3Å; F9-V302 HydrophobicContact CG-CG1 4.08Å; F9-A305 HydrophobicContact CD2-CB 4.31Å; F9-A305 HydrophobicContact CE1-CB 4.14Å; F9-A305 HydrophobicContact CE2-CB 3.8Å; F9-A305 HydrophobicContact CZ-CB 3.71Å; F9-A306 HydrophobicContact CD2-CB 4.44Å; F9-A309 HydrophobicContact CE2-CB 4.14Å; F9-F310 HydrophobicContact CD2-CE2 4.21Å
10P96.9Very high95.6Very high85 Ų8560.6 Ų60.655%0.55231%0.311SS*.  trans-67.6140.7-178.427.6-34.6000111Q6Q6-P10 WeakPolarHBondContact O-CA 3.16Å
11L98.1Very high95.7Very high35 Ų3559 Ų5918%0.18331%0.31CS..  trans-114.2134.1179.8-61.6177.2000110.2L2 F9 I42L2-L11 HydrophobicContact CB-CD1 3.94Å; L2-L11 HydrophobicContact CD1-CD1 3.97Å; L2-L11 HydrophobicContact CD2-CD1 4.18Å; L2-L11 HydrophobicContact CG-CD1 4.23Å; F9-L11 HydrophobicContact CD1-CD2 3.85Å; F9-L11 HydrophobicContact CE1-CD2 3.56Å; F9-L11 HydrophobicContact CZ-CD2 4.45Å; L11-I42 HydrophobicContact CB-CD1 3.8Å; L11-I42 HydrophobicContact CB-CG1 4.26Å; L11-I42 HydrophobicContact CD1-CD1 4.25Å; L11-I42 WeakPolarHBondContact O-CG1 3.27Å
12R98.1Very high96.2Very high128 Ų12860.1 Ų60.148%0.48333%0.325SS..SBendtrans-90.9-30.6165.267.9176.8178.2931.1112.6A43 D56R12-A43 PolarHBondContact O-N 2.96Å; R12-D56 IonicContact CZ-OD1 3.09Å; R12-D56 IonicContact CZ-OD2 2.62Å; R12-D56 VanDerWaalsContact CZ-OD2 3.28Å; R12-D56 IonicContact NH1-OD1 2.69Å; R12-D56 IonicContact NH1-OD2 2.71Å; R12-D56 PolarHBondContact NH1-OD2 3.49Å; R12-D56 PolarHBondContact NH2-O 3.03Å; R12-D56 VanDerWaalsContact NH2-O 3.13Å; R12-D56 IonicContact NH2-OD1 3.53Å; R12-D56 PolarHBondContact NH2-OD1 3.32Å; R12-D56 IonicContact NH2-OD2 3.1Å; R12-D56 PolarHBondContact NH2-OD2 3.35Å
13A98.4Very high96.5Very high31 Ų3162.2 Ų62.226%0.25633%0.332SS..EExtended strand (participates in β ladder)trans-150149.1-173.600000110.7A43A13-A43 CarbonylContact C-O 3.59Å; A13-A43 WeakPolarHBondContact CA-O 3.18Å; A13-A43 HydrophobicContact CB-CB 4.15Å
14L98.6Very high96.9Very high35 Ų3560.5 Ų60.518%0.18332%0.322CS..EExtended strand (participates in β ladder)trans-138.2126.2173.4178.461.5000108.8L2 F16 L35 I42 A43 F44 S45L2-L14 HydrophobicContact CD1-CD1 3.91Å; L2-L14 HydrophobicContact CD1-CD2 4.35Å; L14-F16 HydrophobicContact CD1-CE1 4.11Å; L14-F16 HydrophobicContact CD2-CE1 3.88Å; L14-F16 HydrophobicContact CD2-CZ 4.35Å; L14-F16 HydrophobicContact CG-CD1 4.39Å; L14-F16 HydrophobicContact CG-CE1 3.88Å; L14-L35 HydrophobicContact CD2-CD1 4.24Å; L14-I42 HydrophobicContact CB-CG2 4.05Å; L14-A43 PolarHBondContact N-O 3Å; L14-F44 HydrophobicContact CB-CD2 4.17Å; L14-F44 HydrophobicContact CD2-CD2 4.29Å; L14-F44 HydrophobicContact CD2-CE2 4.35Å; L14-F44 HydrophobicContact CG-CD2 4.14Å; L14-F44 HydrophobicContact CG-CE2 4.29Å; L14-F44 WeakPolarHBondContact O-CA 3.43Å; L14-F44 VanDerWaalsContact O-CD2 3.31Å; L14-F44 WeakPolarHBondContact O-CD2 3.17Å; L14-S45 PolarHBondContact O-N 3.25Å
15K98.8Very high97.3Very high64 Ų6462.9 Ų62.928%0.27833%0.325SS..EExtended strand (participates in β ladder)trans-122.8134.3-179.3-57-178.3-176.6179.60110.1S45 V52 A53 S55 V57K15-S45 CarbonylContact C-O 3.06Å; K15-S45 VanDerWaalsContact CA-O 3.29Å; K15-S45 WeakPolarHBondContact CA-O 3.26Å; K15-V52 PolarHBondContact NZ-O 3.01Å; K15-V52 VanDerWaalsContact NZ-O 3.09Å; K15-A53 WeakPolarHBondContact CD-O 3.47Å; K15-S55 PolarHBondContact NZ-O 2.56Å; K15-V57 HydrophobicContact CD-CG1 4.42Å
16F98.8Very high97.6Very high55 Ų5563.4 Ų63.424%0.24133%0.329CS..EExtended strand (participates in β ladder)trans-100.9141.8170-63.3-10.8000110.7L14 Q24 A28 C31 F44 S45 Y46 T47L14-F16 HydrophobicContact CD1-CE1 4.11Å; L14-F16 HydrophobicContact CD2-CE1 3.88Å; L14-F16 HydrophobicContact CD2-CZ 4.35Å; L14-F16 HydrophobicContact CG-CD1 4.39Å; L14-F16 HydrophobicContact CG-CE1 3.88Å; F16-Q24 VanDerWaalsContact CB-OE1 3.32Å; F16-Q24 PolarHBondContact O-OE1 2.89Å; F16-A28 HydrophobicContact CD2-CB 3.98Å; F16-C31 HydrophobicContact CE2-CB 3.8Å; F16-C31 HydrophobicContact CZ-CB 4.11Å; F16-F44 HydrophobicContact CD1-CE2 4.03Å; F16-F44 AromaticContact CD2-CE2 3.95Å; F16-F44 HydrophobicContact CD2-CE2 3.95Å; F16-F44 AromaticContact CD2-CZ 3.69Å; F16-F44 HydrophobicContact CD2-CZ 3.69Å; F16-F44 AromaticContact CE1-CE2 3.89Å; F16-F44 HydrophobicContact CE1-CE2 3.89Å; F16-F44 AromaticContact CE2-CE2 3.81Å; F16-F44 HydrophobicContact CE2-CE2 3.81Å; F16-F44 AromaticContact CE2-CZ 3.64Å; F16-F44 HydrophobicContact CE2-CZ 3.64Å; F16-F44 HydrophobicContact CG-CE2 4.05Å; F16-F44 HydrophobicContact CG-CZ 4.18Å; F16-F44 AromaticContact CZ-CE2 3.77Å; F16-F44 HydrophobicContact CZ-CE2 3.77Å; F16-F44 HydrophobicContact CZ-CZ 4.09Å; F16-S45 PolarHBondContact N-O 3.22Å; F16-Y46 WeakPolarHBondContact O-CA 3.41Å; F16-T47 PolarHBondContact O-N 3.38Å
17Y98.9Very high97.8Very high58 Ų5862.4 Ų62.423%0.22733%0.325CS..EExtended strand (participates in β ladder)trans-132.3134174.7173.6-100.2000109.6Q24 P50 A53 F54 L108Y17-Q24 VanDerWaalsContact CA-OE1 3.31Å; Y17-Q24 VanDerWaalsContact N-OE1 3.1Å; Y17-P50 HydrophobicContact CE2-CB 4.44Å; Y17-P50 HydrophobicContact CE2-CG 4.03Å; Y17-A53 HydrophobicContact CD2-CB 3.62Å; Y17-A53 HydrophobicContact CG-CB 3.9Å; Y17-F54 AromaticContact CD1-CE2 3.74Å; Y17-F54 HydrophobicContact CD1-CE2 3.74Å; Y17-F54 HydrophobicContact CD1-CZ 4.05Å; Y17-F54 HydrophobicContact CD2-CE2 4.12Å; Y17-F54 AromaticContact CE1-CE2 3.97Å; Y17-F54 HydrophobicContact CE1-CE2 3.97Å; Y17-F54 HydrophobicContact CE1-CZ 4.37Å; Y17-F54 HydrophobicContact CE2-CE2 4.33Å; Y17-F54 AromaticContact CG-CE2 3.82Å; Y17-F54 HydrophobicContact CG-CE2 3.82Å; Y17-F54 HydrophobicContact CG-CZ 4.45Å; Y17-L108 HydrophobicContact CD1-CD2 4.06Å; Y17-L108 HydrophobicContact CE1-CD2 3.64Å
18D98.8Very high98.1Very high51 Ų5155.7 Ų55.727%0.27329%0.289SS..  trans-152.4154173.1-156.2-56.1000108.6D20 Q24 T48D18-D20 PolarHBondContact OD1-N 3.09Å; D18-Q24 HydrophobicContact CB-CB 3.79Å; D18-Q24 HydrophobicContact CB-CG 4.22Å; D18-T48 WeakPolarHBondContact O-CA 3.29Å; D18-T48 WeakPolarHBondContact O-CG2 3.38Å
19N98.4Very high98.4Very high131 Ų13154.5 Ų54.570%0.70129%0.287SS*.SBendtrans-89.3-6.8172.664.58.6000112.7
20D98.5Very high98.5Very high44 Ų4453.7 Ų53.724%0.23528%0.283CS..  trans-107.689.3168-175.4-11.7000110.7D18 A22 R23 Q24 K68D18-D20 PolarHBondContact OD1-N 3.09Å; D20-A22 VanDerWaalsContact C-N 3.35Å; D20-A22 PolarHBondContact O-N 2.81Å; D20-A22 PolarHBondContact OD1-N 2.71Å; D20-R23 HydrophobicContact CB-CB 3.98Å; D20-R23 PolarHBondContact O-N 3.46Å; D20-R23 PolarHBondContact OD1-N 3.5Å; D20-R23 VanDerWaalsContact OD2-CB 3.27Å; D20-R23 WeakPolarHBondContact OD2-CB 3.27Å; D20-Q24 WeakPolarHBondContact O-CB 3.4Å; D20-Q24 PolarHBondContact O-N 2.99Å; D20-K68 IonicContact OD2-NZ 2.93Å; D20-K68 PolarHBondContact OD2-NZ 3.32Å
21G98.6Very high98.5Very high28 Ų2851.1 Ų51.129%0.28927%0.267SS..Hα-helixtrans-58.1-42.2-178.400000113.7R23 Q24 E25G21-R23 PolarHBondContact O-N 3.02Å; G21-Q24 PolarHBondContact O-N 3.41Å; G21-E25 WeakPolarHBondContact O-CB 3.19Å; G21-E25 PolarHBondContact O-N 2.96Å
22A98.6Very high98.5Very high68 Ų6854.5 Ų54.556%0.56228%0.28SS*.Hα-helixtrans-67.7-38.2-17800000111.9D20D20-A22 VanDerWaalsContact C-N 3.35Å; D20-A22 PolarHBondContact O-N 2.81Å; D20-A22 PolarHBondContact OD1-N 2.71Å
23R98.5Very high98.5Very high68 Ų6849.6 Ų49.626%0.25726%0.264SS..Hα-helixtrans-66.7-45.7173.6-177.3-176.6-179.981.9-4.3111.5D20 G21 E271 F275D20-R23 HydrophobicContact CB-CB 3.98Å; D20-R23 PolarHBondContact O-N 3.46Å; D20-R23 PolarHBondContact OD1-N 3.5Å; D20-R23 VanDerWaalsContact OD2-CB 3.27Å; D20-R23 WeakPolarHBondContact OD2-CB 3.27Å; G21-R23 PolarHBondContact O-N 3.02Å; R23-E271 IonicContact CZ-OE1 2.76Å; R23-E271 IonicContact NH1-OE1 3.79Å; R23-E271 PolarHBondContact NH1-OE1 3.19Å; R23-E271 IonicContact NH2-OE1 2.7Å; R23-E271 PolarHBondContact NH2-OE1 3.48Å; R23-F275 HydrophobicContact CG-CE1 3.9Å; R23-F275 HydrophobicContact CG-CZ 3.54Å; R23-F275 VanDerWaalsContact CZ-CZ 3.45Å
24Q98.7Very high98.5Very high12 Ų1249.5 Ų49.56%0.05626%0.259CS..Hα-helixtrans-62.4-41.8180175.5174.3-114.500112F16 Y17 D18 D20 G21 V26 I27 A28 Y46 T47F16-Q24 VanDerWaalsContact CB-OE1 3.32Å; F16-Q24 PolarHBondContact O-OE1 2.89Å; Y17-Q24 VanDerWaalsContact CA-OE1 3.31Å; Y17-Q24 VanDerWaalsContact N-OE1 3.1Å; D18-Q24 HydrophobicContact CB-CB 3.79Å; D18-Q24 HydrophobicContact CB-CG 4.22Å; D20-Q24 WeakPolarHBondContact O-CB 3.4Å; D20-Q24 PolarHBondContact O-N 2.99Å; G21-Q24 PolarHBondContact O-N 3.41Å; Q24-V26 VanDerWaalsContact C-N 3.28Å; Q24-V26 PolarHBondContact O-N 2.68Å; Q24-I27 PolarHBondContact O-N 3.34Å; Q24-A28 HydrophobicContact CG-CB 4.32Å; Q24-A28 WeakPolarHBondContact O-CB 3.46Å; Q24-A28 PolarHBondContact O-N 3.31Å; Q24-Y46 HydrophobicContact CG-CD2 4.24Å; Q24-T47 PolarHBondContact NE2-O 3Å
25E98.8Very high98.4Very high104 Ų10448.2 Ų48.249%0.48625%0.252SS..Hα-helixtrans-53-44.5-177.1-177.5177.9-171.400112.2G21 I27 A28 E29 Y46G21-E25 WeakPolarHBondContact O-CB 3.19Å; G21-E25 PolarHBondContact O-N 2.96Å; E25-I27 VanDerWaalsContact C-N 3.31Å; E25-I27 PolarHBondContact O-N 3.21Å; E25-A28 PolarHBondContact O-N 2.61Å; E25-E29 HydrophobicContact CG-CG 4.39Å; E25-E29 WeakPolarHBondContact O-CB 3.41Å; E25-E29 PolarHBondContact O-N 2.82Å; E25-Y46 HydrophobicContact CB-CE2 4.3Å; E25-Y46 HydrophobicContact CG-CE2 4.37Å
26V98.6Very high98.3Very high37 Ų3753.1 Ų53.122%0.22427%0.274CS..Hα-helixtrans-59.7-41.7179-179.40000111.9Q24 F275 C278 R279Q24-V26 VanDerWaalsContact C-N 3.28Å; Q24-V26 PolarHBondContact O-N 2.68Å; V26-F275 HydrophobicContact CB-CD1 4Å; V26-F275 HydrophobicContact CB-CE1 4.1Å; V26-F275 HydrophobicContact CG1-CD1 3.74Å; V26-F275 HydrophobicContact CG1-CE1 4.32Å; V26-F275 HydrophobicContact CG2-CD1 4.47Å; V26-C278 HydrophobicContact CG1-CB 4.03Å; V26-C278 WeakPolarHBondContact O-CB 3.42Å; V26-R279 HydrophobicContact CG1-CG 3.87Å
27I98.4Very high98.2Very high45 Ų4554.7 Ų54.723%0.23128%0.282CS..Hα-helixtrans-75.5-45.1-179.5-54.7-57.5000110.2Q24 E25 A30 C31 V274 F275 C278Q24-I27 PolarHBondContact O-N 3.34Å; E25-I27 VanDerWaalsContact C-N 3.31Å; E25-I27 PolarHBondContact O-N 3.21Å; I27-A30 PolarHBondContact O-N 3.1Å; I27-C31 PolarHBondContact O-N 2.83Å; I27-C31 PolarHBondContact O-SG 3.13Å; I27-V274 HydrophobicContact CD1-CG1 4.2Å; I27-F275 HydrophobicContact CD1-CD1 4.23Å; I27-F275 HydrophobicContact CD1-CD2 4.34Å; I27-F275 HydrophobicContact CD1-CE1 3.95Å; I27-F275 HydrophobicContact CD1-CE2 4.1Å; I27-F275 HydrophobicContact CD1-CG 4.41Å; I27-F275 HydrophobicContact CD1-CZ 3.87Å; I27-F275 HydrophobicContact CG1-CE1 4.17Å; I27-F275 HydrophobicContact CG1-CZ 4.06Å; I27-C278 HydrophobicContact CD1-CB 4.32Å
28A98.6Very high98Very high0 Ų058.3 Ų58.30%030%0.298CS..Hα-helixtrans-67.9-40.4-173.300000112.5F16 Q24 E25 A30 C31 K32 F44 Y46F16-A28 HydrophobicContact CD2-CB 3.98Å; Q24-A28 HydrophobicContact CG-CB 4.32Å; Q24-A28 WeakPolarHBondContact O-CB 3.46Å; Q24-A28 PolarHBondContact O-N 3.31Å; E25-A28 PolarHBondContact O-N 2.61Å; A28-A30 VanDerWaalsContact C-N 3.32Å; A28-A30 PolarHBondContact O-N 2.93Å; A28-C31 PolarHBondContact O-N 2.94Å; A28-K32 WeakPolarHBondContact O-CB 3.32Å; A28-K32 PolarHBondContact O-N 2.94Å; A28-F44 HydrophobicContact CB-CE1 4.42Å; A28-F44 HydrophobicContact CB-CZ 4.23Å; A28-F44 WeakPolarHBondContact O-CE1 3.49Å; A28-Y46 HydrophobicContact CB-CD1 3.31Å; A28-Y46 HydrophobicContact CB-CD2 3.75Å; A28-Y46 HydrophobicContact CB-CE1 3.81Å; A28-Y46 HydrophobicContact CB-CE2 4.22Å; A28-Y46 HydrophobicContact CB-CG 3.26Å
29E98.6Very high97.9Very high49 Ų4956.2 Ų56.223%0.22929%0.289CS..Hα-helixtrans-65.1-35.9175.6-73.2-60.7142.500112E25 K32 V33 Y46 T282E25-E29 HydrophobicContact CG-CG 4.39Å; E25-E29 WeakPolarHBondContact O-CB 3.41Å; E25-E29 PolarHBondContact O-N 2.82Å; E29-K32 WeakPolarHBondContact O-CB 3.37Å; E29-K32 PolarHBondContact O-N 3.16Å; E29-K32 IonicContact OE1-NZ 2.67Å; E29-K32 IonicContact OE2-NZ 3.81Å; E29-V33 PolarHBondContact O-N 3.1Å; E29-Y46 HydrophobicContact CG-CE1 4.48Å; E29-Y46 WeakPolarHBondContact OE1-CE1 3.34Å; E29-Y46 VanDerWaalsContact OE1-CZ 3.31Å; E29-Y46 PolarHBondContact OE1-OH 2.85Å; E29-T282 HydrophobicContact CB-CG2 3.85Å
30A98.4Very high97.9Very high0 Ų054.1 Ų54.10%028%0.282CS..Hα-helixtrans-66.3-44.4172.200000111.9I27 A28 K32 V33 I34 C278 I281 T282I27-A30 PolarHBondContact O-N 3.1Å; A28-A30 VanDerWaalsContact C-N 3.32Å; A28-A30 PolarHBondContact O-N 2.93Å; A30-K32 VanDerWaalsContact C-N 3.29Å; A30-K32 PolarHBondContact O-N 2.61Å; A30-V33 WeakPolarHBondContact O-CB 3.49Å; A30-V33 PolarHBondContact O-N 3.3Å; A30-I34 WeakPolarHBondContact O-CG1 3.28Å; A30-I34 PolarHBondContact O-N 3.01Å; A30-I34 VanDerWaalsContact O-N 3.13Å; A30-C278 HydrophobicContact CB-CB 3.61Å; A30-C278 WeakPolarHBondContact CB-O 3.23Å; A30-I281 HydrophobicContact CB-CB 4.21Å; A30-I281 HydrophobicContact CB-CG2 4.12Å; A30-T282 PolarHBondContact N-OG1 2.75Å
31C97.9Very high97.8Very high30 Ų3059.6 Ų59.620%0.20331%0.311CS..Hα-helixtrans-62.9-34.7176.4-73.90000112.6F16 I27 A28 V33 I34 L35 F44F16-C31 HydrophobicContact CE2-CB 3.8Å; F16-C31 HydrophobicContact CZ-CB 4.11Å; I27-C31 PolarHBondContact O-N 2.83Å; I27-C31 PolarHBondContact O-SG 3.13Å; A28-C31 PolarHBondContact O-N 2.94Å; C31-V33 VanDerWaalsContact C-N 3.35Å; C31-V33 PolarHBondContact O-N 2.87Å; C31-I34 PolarHBondContact O-N 3.4Å; C31-L35 WeakPolarHBondContact O-CB 3.2Å; C31-L35 WeakPolarHBondContact O-CD1 3.35Å; C31-L35 VanDerWaalsContact O-CG 3.31Å; C31-L35 WeakPolarHBondContact O-CG 3.43Å; C31-L35 PolarHBondContact O-N 3.26Å; C31-F44 HydrophobicContact CB-CZ 4.06Å
32K98.3Very high97.8Very high106 Ų10658.8 Ų58.846%0.46130%0.3SS..Hα-helixtrans-61.1-41.9174.5-173.6180-179.9-178.60112A28 E29 A30 K36 F44A28-K32 WeakPolarHBondContact O-CB 3.32Å; A28-K32 PolarHBondContact O-N 2.94Å; E29-K32 WeakPolarHBondContact O-CB 3.37Å; E29-K32 PolarHBondContact O-N 3.16Å; E29-K32 IonicContact OE1-NZ 2.67Å; E29-K32 IonicContact OE2-NZ 3.81Å; A30-K32 VanDerWaalsContact C-N 3.29Å; A30-K32 PolarHBondContact O-N 2.61Å; K32-K36 WeakPolarHBondContact O-CB 3.45Å; K32-K36 PolarHBondContact O-N 2.98Å; K32-F44 HydrophobicContact CB-CD1 3.84Å; K32-F44 HydrophobicContact CB-CE1 3.85Å; K32-F44 HydrophobicContact CG-CD1 4.13Å
33V98.2Very high97.8Very high25 Ų2558.5 Ų58.515%0.15230%0.298CS..Hα-helixtrans-61.2-49.4173.2173.80000110.3E29 A30 C31 L35 K36 E37 I281E29-V33 PolarHBondContact O-N 3.1Å; A30-V33 WeakPolarHBondContact O-CB 3.49Å; A30-V33 PolarHBondContact O-N 3.3Å; C31-V33 VanDerWaalsContact C-N 3.35Å; C31-V33 PolarHBondContact O-N 2.87Å; V33-L35 VanDerWaalsContact C-N 3.35Å; V33-L35 PolarHBondContact O-N 3.02Å; V33-K36 PolarHBondContact O-N 2.89Å; V33-E37 WeakPolarHBondContact O-CG 3.3Å; V33-E37 PolarHBondContact O-N 3.33Å; V33-E37 VanDerWaalsContact O-N 3.15Å; V33-I281 HydrophobicContact CB-CG2 3.83Å; V33-I281 HydrophobicContact CG1-CG2 3.81Å; V33-I281 HydrophobicContact CG2-CG2 4.35Å
34I97.1Very high97.8Very high29 Ų2957.3 Ų57.315%0.14930%0.295CS..Hα-helixtrans-60-43.8180-63.7165.9000111.5L3 A30 C31 E37 K38 I281 L292L3-I34 HydrophobicContact CD1-CG2 4.1Å; A30-I34 WeakPolarHBondContact O-CG1 3.28Å; A30-I34 PolarHBondContact O-N 3.01Å; A30-I34 VanDerWaalsContact O-N 3.13Å; C31-I34 PolarHBondContact O-N 3.4Å; I34-E37 PolarHBondContact O-N 3.05Å; I34-K38 HydrophobicContact CG2-CD 4.19Å; I34-K38 WeakPolarHBondContact O-CB 3.38Å; I34-K38 PolarHBondContact O-N 3.17Å; I34-I281 HydrophobicContact CD1-CD1 4.31Å; I34-L292 HydrophobicContact CD1-CD1 4.06Å
35L97.3Very high97.8Very high9 Ų959 Ų595%0.04731%0.308CS..Hα-helixtrans-64.7-44179.2-76.9160.4000111.4L3 L14 C31 V33 E37 K38 A39 I42 F44L3-L35 HydrophobicContact CD1-CD2 3.88Å; L3-L35 HydrophobicContact CD1-CG 4.46Å; L3-L35 HydrophobicContact CD2-CD2 3.63Å; L3-L35 HydrophobicContact CG-CD2 4.22Å; L14-L35 HydrophobicContact CD2-CD1 4.24Å; C31-L35 WeakPolarHBondContact O-CB 3.2Å; C31-L35 WeakPolarHBondContact O-CD1 3.35Å; C31-L35 VanDerWaalsContact O-CG 3.31Å; C31-L35 WeakPolarHBondContact O-CG 3.43Å; C31-L35 PolarHBondContact O-N 3.26Å; V33-L35 VanDerWaalsContact C-N 3.35Å; V33-L35 PolarHBondContact O-N 3.02Å; L35-E37 PolarHBondContact O-N 3.27Å; L35-K38 PolarHBondContact O-N 3.43Å; L35-A39 CarbonylContact O-C 3.59Å; L35-A39 WeakPolarHBondContact O-CA 3.24Å; L35-A39 PolarHBondContact O-N 2.95Å; L35-I42 HydrophobicContact CD2-CB 4.39Å; L35-I42 HydrophobicContact CD2-CD1 4.27Å; L35-I42 HydrophobicContact CD2-CG2 4.33Å; L35-F44 HydrophobicContact CD1-CB 3.73Å; L35-F44 HydrophobicContact CD1-CD1 4.02Å; L35-F44 HydrophobicContact CD1-CD2 3.22Å; L35-F44 HydrophobicContact CD1-CE1 4.48Å; L35-F44 HydrophobicContact CD1-CE2 3.77Å; L35-F44 HydrophobicContact CD1-CG 3.36Å; L35-F44 HydrophobicContact CD1-CZ 4.36Å
36K97.3Very high97.8Very high167 Ų16757.2 Ų57.273%0.72630%0.297SS*.Hα-helixtrans-60.1-35.6177.5-172177.9-179.7-177.10112.6K32 V33K32-K36 WeakPolarHBondContact O-CB 3.45Å; K32-K36 PolarHBondContact O-N 2.98Å; V33-K36 PolarHBondContact O-N 2.89Å
37E96.3Very high97.8Very high88 Ų8856.7 Ų56.741%0.41129%0.294SS..Hα-helixtrans-75.3-42.6178.1-72179.3172.700113.2V33 I34 L35 N286 S287V33-E37 WeakPolarHBondContact O-CG 3.3Å; V33-E37 PolarHBondContact O-N 3.33Å; V33-E37 VanDerWaalsContact O-N 3.15Å; I34-E37 PolarHBondContact O-N 3.05Å; L35-E37 PolarHBondContact O-N 3.27Å; E37-N286 WeakPolarHBondContact OE1-CA 3.43Å; E37-N286 VanDerWaalsContact OE1-CB 3.3Å; E37-N286 WeakPolarHBondContact OE1-CB 3.38Å; E37-S287 PolarHBondContact OE1-N 2.64Å; E37-S287 WeakPolarHBondContact OE2-CB 3.25Å; E37-S287 PolarHBondContact OE2-N 3.48Å; E37-S287 PolarHBondContact OE2-OG 2.84Å
38K95.2Very high97.8Very high133 Ų13358.2 Ų58.258%0.57831%0.305SS*.Hα-helixtrans-102.2-26.7-167.3-64.8-172177.7-175.90114.3L3 I34 L35L3-K38 HydrophobicContact CD1-CB 4.3Å; I34-K38 HydrophobicContact CG2-CD 4.19Å; I34-K38 WeakPolarHBondContact O-CB 3.38Å; I34-K38 PolarHBondContact O-N 3.17Å; L35-K38 PolarHBondContact O-N 3.43Å
39A96.5Very high97.8Very high8 Ų861.5 Ų61.57%0.06632%0.323CS..  trans-155.764.5-174.200000111L3 L35 D41 I42L3-A39 HydrophobicContact CD2-CB 3.86Å; L35-A39 CarbonylContact O-C 3.59Å; L35-A39 WeakPolarHBondContact O-CA 3.24Å; L35-A39 PolarHBondContact O-N 2.95Å; A39-D41 PolarHBondContact O-N 3.38Å; A39-D41 VanDerWaalsContact O-N 3.09Å; A39-I42 HydrophobicContact CB-CD1 3.71Å; A39-I42 HydrophobicContact CB-CG1 4.04Å; A39-I42 PolarHBondContact O-N 3.47Å; A39-I42 VanDerWaalsContact O-N 3.09Å
40P96.8Very high97.8Very high87 Ų8760.3 Ų60.357%0.56532%0.319SS*.THydrogen-bonded Turntrans-62.6-19.2-172.425.7-35.7000114.2I42P40-I42 VanDerWaalsContact C-N 3.3Å
41D97.1Very high97.9Very high158 Ų15865.4 Ų65.485%0.84534%0.343SS*.THydrogen-bonded Turntrans-79.3-11.5179.7-57.5-42.7000113.1A39 A43A39-D41 PolarHBondContact O-N 3.38Å; A39-D41 VanDerWaalsContact O-N 3.09Å; D41-A43 PolarHBondContact O-N 3.3Å
42I98.4Very high97.9Very high11 Ų1167.2 Ų67.26%0.05635%0.353CS..SBendtrans-76.7117.4174.6-63.9-179.4000109.3L3 L11 L14 L35 A39 P40 F44L3-I42 HydrophobicContact CD2-CD1 3.64Å; L11-I42 HydrophobicContact CB-CD1 3.8Å; L11-I42 HydrophobicContact CB-CG1 4.26Å; L11-I42 HydrophobicContact CD1-CD1 4.25Å; L11-I42 WeakPolarHBondContact O-CG1 3.27Å; L14-I42 HydrophobicContact CB-CG2 4.05Å; L35-I42 HydrophobicContact CD2-CB 4.39Å; L35-I42 HydrophobicContact CD2-CD1 4.27Å; L35-I42 HydrophobicContact CD2-CG2 4.33Å; A39-I42 HydrophobicContact CB-CD1 3.71Å; A39-I42 HydrophobicContact CB-CG1 4.04Å; A39-I42 PolarHBondContact O-N 3.47Å; A39-I42 VanDerWaalsContact O-N 3.09Å; P40-I42 VanDerWaalsContact C-N 3.3Å; I42-F44 PolarHBondContact O-N 2.96Å
43A98.5Very high97.9Very high63 Ų6362.6 Ų62.652%0.52134%0.335SS..EExtended strand (participates in β ladder)trans-64.8118.8170.600000110.2R12 A13 L14 D41R12-A43 PolarHBondContact O-N 2.96Å; A13-A43 CarbonylContact C-O 3.59Å; A13-A43 WeakPolarHBondContact CA-O 3.18Å; A13-A43 HydrophobicContact CB-CB 4.15Å; L14-A43 PolarHBondContact N-O 3Å; D41-A43 PolarHBondContact O-N 3.3Å
44F98.7Very high98Very high43 Ų4361.8 Ų61.819%0.18933%0.329CS..EExtended strand (participates in β ladder)trans-118.2134.9-178.3-177.5-108.4000112.4L14 F16 A28 C31 K32 L35 I42 Y46L14-F44 HydrophobicContact CB-CD2 4.17Å; L14-F44 HydrophobicContact CD2-CD2 4.29Å; L14-F44 HydrophobicContact CD2-CE2 4.35Å; L14-F44 HydrophobicContact CG-CD2 4.14Å; L14-F44 HydrophobicContact CG-CE2 4.29Å; L14-F44 WeakPolarHBondContact O-CA 3.43Å; L14-F44 VanDerWaalsContact O-CD2 3.31Å; L14-F44 WeakPolarHBondContact O-CD2 3.17Å; F16-F44 HydrophobicContact CD1-CE2 4.03Å; F16-F44 AromaticContact CD2-CE2 3.95Å; F16-F44 HydrophobicContact CD2-CE2 3.95Å; F16-F44 AromaticContact CD2-CZ 3.69Å; F16-F44 HydrophobicContact CD2-CZ 3.69Å; F16-F44 AromaticContact CE1-CE2 3.89Å; F16-F44 HydrophobicContact CE1-CE2 3.89Å; F16-F44 AromaticContact CE2-CE2 3.81Å; F16-F44 HydrophobicContact CE2-CE2 3.81Å; F16-F44 AromaticContact CE2-CZ 3.64Å; F16-F44 HydrophobicContact CE2-CZ 3.64Å; F16-F44 HydrophobicContact CG-CE2 4.05Å; F16-F44 HydrophobicContact CG-CZ 4.18Å; F16-F44 AromaticContact CZ-CE2 3.77Å; F16-F44 HydrophobicContact CZ-CE2 3.77Å; F16-F44 HydrophobicContact CZ-CZ 4.09Å; A28-F44 HydrophobicContact CB-CE1 4.42Å; A28-F44 HydrophobicContact CB-CZ 4.23Å; A28-F44 WeakPolarHBondContact O-CE1 3.49Å; C31-F44 HydrophobicContact CB-CZ 4.06Å; K32-F44 HydrophobicContact CB-CD1 3.84Å; K32-F44 HydrophobicContact CB-CE1 3.85Å; K32-F44 HydrophobicContact CG-CD1 4.13Å; L35-F44 HydrophobicContact CD1-CB 3.73Å; L35-F44 HydrophobicContact CD1-CD1 4.02Å; L35-F44 HydrophobicContact CD1-CD2 3.22Å; L35-F44 HydrophobicContact CD1-CE1 4.48Å; L35-F44 HydrophobicContact CD1-CE2 3.77Å; L35-F44 HydrophobicContact CD1-CG 3.36Å; L35-F44 HydrophobicContact CD1-CZ 4.36Å; I42-F44 PolarHBondContact O-N 2.96Å; F44-Y46 HydrophobicContact CE1-CD1 4.21Å
45S98.6Very high98Very high46 Ų4662.2 Ų62.232%0.32234%0.335SS..EExtended strand (participates in β ladder)trans-149.4160.6171.460.30000110.9L14 K15 F16L14-S45 PolarHBondContact O-N 3.25Å; K15-S45 CarbonylContact C-O 3.06Å; K15-S45 VanDerWaalsContact CA-O 3.29Å; K15-S45 WeakPolarHBondContact CA-O 3.26Å; F16-S45 PolarHBondContact N-O 3.22Å
46Y98.8Very high98.1Very high68 Ų6866.6 Ų66.627%0.26736%0.358SS..EExtended strand (participates in β ladder)trans-137.9146171.263.5-84.4000108.9F16 Q24 E25 A28 E29 F44F16-Y46 WeakPolarHBondContact O-CA 3.41Å; Q24-Y46 HydrophobicContact CG-CD2 4.24Å; E25-Y46 HydrophobicContact CB-CE2 4.3Å; E25-Y46 HydrophobicContact CG-CE2 4.37Å; A28-Y46 HydrophobicContact CB-CD1 3.31Å; A28-Y46 HydrophobicContact CB-CD2 3.75Å; A28-Y46 HydrophobicContact CB-CE1 3.81Å; A28-Y46 HydrophobicContact CB-CE2 4.22Å; A28-Y46 HydrophobicContact CB-CG 3.26Å; E29-Y46 HydrophobicContact CG-CE1 4.48Å; E29-Y46 WeakPolarHBondContact OE1-CE1 3.34Å; E29-Y46 VanDerWaalsContact OE1-CZ 3.31Å; E29-Y46 PolarHBondContact OE1-OH 2.85Å; F44-Y46 HydrophobicContact CE1-CD1 4.21Å
47T98.9Very high98.2Very high25 Ų2560 Ų6015%0.15333%0.332CS..EExtended strand (participates in β ladder)trans-155.3164.9-174.2-175.60000111.4F16 Q24 D49 V52 A53F16-T47 PolarHBondContact O-N 3.38Å; Q24-T47 PolarHBondContact NE2-O 3Å; T47-D49 WeakPolarHBondContact CG2-O 3.35Å; T47-D49 WeakPolarHBondContact OG1-CB 3.31Å; T47-D49 PolarHBondContact OG1-N 2.82Å; T47-V52 HydrophobicContact CG2-CB 3.95Å; T47-V52 HydrophobicContact CG2-CG1 3.85Å; T47-A53 HydrophobicContact CG2-CB 3.75Å
48T98.9Very high98.3Very high77 Ų7760.8 Ų60.847%0.47234%0.339SS..SBendtrans-106.91.6165.665.40000111.8D18 P50D18-T48 WeakPolarHBondContact O-CA 3.29Å; D18-T48 WeakPolarHBondContact O-CG2 3.38Å; T48-P50 WeakPolarHBondContact O-CD 3.49Å
49D98.9Very high98.5Very high70 Ų7056.5 Ų56.537%0.37432%0.321SS..  trans-89.8117.2178.5-176.5-15.9000110.2T47 E51 V52 A53T47-D49 WeakPolarHBondContact CG2-O 3.35Å; T47-D49 WeakPolarHBondContact OG1-CB 3.31Å; T47-D49 PolarHBondContact OG1-N 2.82Å; D49-E51 VanDerWaalsContact C-N 3.31Å; D49-E51 PolarHBondContact O-N 2.96Å; D49-E51 PolarHBondContact OD1-N 3.07Å; D49-V52 HydrophobicContact CB-CB 4.22Å; D49-V52 HydrophobicContact CB-CG2 4.06Å; D49-V52 PolarHBondContact O-N 2.71Å; D49-A53 WeakPolarHBondContact O-CB 3.22Å; D49-A53 PolarHBondContact O-N 3.4Å; D49-A53 VanDerWaalsContact O-N 3.11Å
50P98.8Very high98.6Very high23 Ų2357 Ų5715%0.14932%0.323CS..Hα-helixtrans-58.1-37.6177.9-24.634.3000114.1Y17 T48 V52 A53 F54 Y111 Y115Y17-P50 HydrophobicContact CE2-CB 4.44Å; Y17-P50 HydrophobicContact CE2-CG 4.03Å; T48-P50 WeakPolarHBondContact O-CD 3.49Å; P50-V52 PolarHBondContact O-N 2.62Å; P50-A53 PolarHBondContact O-N 3.3Å; P50-F54 HydrophobicContact CB-CD2 4.35Å; P50-F54 WeakPolarHBondContact O-CB 3.48Å; P50-F54 VanDerWaalsContact O-CD2 3.27Å; P50-F54 WeakPolarHBondContact O-CD2 3.3Å; P50-F54 PolarHBondContact O-N 3.04Å; P50-Y111 HydrophobicContact CB-CD1 3.7Å; P50-Y111 HydrophobicContact CB-CD2 3.86Å; P50-Y111 HydrophobicContact CB-CE1 3.87Å; P50-Y111 HydrophobicContact CB-CE2 4.05Å; P50-Y111 HydrophobicContact CB-CG 3.71Å; P50-Y111 HydrophobicContact CG-CD1 4.25Å; P50-Y111 HydrophobicContact CG-CD2 4.16Å; P50-Y111 HydrophobicContact CG-CE1 3.91Å; P50-Y111 HydrophobicContact CG-CE2 3.83Å; P50-Y111 HydrophobicContact CG-CG 4.38Å; P50-Y115 HydrophobicContact CB-CE2 4.12Å
51E98.8Very high98.7Very high108 Ų10855 Ų5551%0.50531%0.306SS..Hα-helixtrans-64.6-45.3-178-179.4168.4-174.600110.6D49 A53 S55 Y115D49-E51 VanDerWaalsContact C-N 3.31Å; D49-E51 PolarHBondContact O-N 2.96Å; D49-E51 PolarHBondContact OD1-N 3.07Å; E51-A53 PolarHBondContact O-N 2.93Å; E51-S55 WeakPolarHBondContact O-CB 3.37Å; E51-S55 PolarHBondContact O-N 3.49Å; E51-S55 VanDerWaalsContact O-N 3.1Å; E51-S55 PolarHBondContact O-OG 2.76Å; E51-Y115 HydrophobicContact CB-CD1 4.24Å; E51-Y115 HydrophobicContact CB-CE1 3.71Å; E51-Y115 HydrophobicContact CB-CE2 4.26Å; E51-Y115 HydrophobicContact CG-CD1 3.92Å; E51-Y115 HydrophobicContact CG-CE1 3.61Å
52V98.8Very high98.8Very high67 Ų6747.6 Ų47.641%0.40627%0.267SS..Hα-helixtrans-64.2-42.5178.7176.10000111.5K15 T47 D49 P50K15-V52 PolarHBondContact NZ-O 3.01Å; K15-V52 VanDerWaalsContact NZ-O 3.09Å; T47-V52 HydrophobicContact CG2-CB 3.95Å; T47-V52 HydrophobicContact CG2-CG1 3.85Å; D49-V52 HydrophobicContact CB-CB 4.22Å; D49-V52 HydrophobicContact CB-CG2 4.06Å; D49-V52 PolarHBondContact O-N 2.71Å; P50-V52 PolarHBondContact O-N 2.62Å
53A98.9Very high98.7Very high9 Ų953 Ų537%0.07429%0.292CS..Hα-helixtrans-68.2-47-177.800000113.3K15 Y17 T47 D49 P50 E51K15-A53 WeakPolarHBondContact CD-O 3.47Å; Y17-A53 HydrophobicContact CD2-CB 3.62Å; Y17-A53 HydrophobicContact CG-CB 3.9Å; T47-A53 HydrophobicContact CG2-CB 3.75Å; D49-A53 WeakPolarHBondContact O-CB 3.22Å; D49-A53 PolarHBondContact O-N 3.4Å; D49-A53 VanDerWaalsContact O-N 3.11Å; P50-A53 PolarHBondContact O-N 3.3Å; E51-A53 PolarHBondContact O-N 2.93Å
54F98.9Very high98.7Very high8 Ų852.5 Ų52.54%0.03528%0.28CS..Hα-helixtrans-98.2-4.8-168.6-69.5-94.4000113.8Y17 P50 V60 L108 Y111 M112 Y115 S116Y17-F54 AromaticContact CD1-CE2 3.74Å; Y17-F54 HydrophobicContact CD1-CE2 3.74Å; Y17-F54 HydrophobicContact CD1-CZ 4.05Å; Y17-F54 HydrophobicContact CD2-CE2 4.12Å; Y17-F54 AromaticContact CE1-CE2 3.97Å; Y17-F54 HydrophobicContact CE1-CE2 3.97Å; Y17-F54 HydrophobicContact CE1-CZ 4.37Å; Y17-F54 HydrophobicContact CE2-CE2 4.33Å; Y17-F54 AromaticContact CG-CE2 3.82Å; Y17-F54 HydrophobicContact CG-CE2 3.82Å; Y17-F54 HydrophobicContact CG-CZ 4.45Å; P50-F54 HydrophobicContact CB-CD2 4.35Å; P50-F54 WeakPolarHBondContact O-CB 3.48Å; P50-F54 VanDerWaalsContact O-CD2 3.27Å; P50-F54 WeakPolarHBondContact O-CD2 3.3Å; P50-F54 PolarHBondContact O-N 3.04Å; F54-V60 HydrophobicContact CD1-CG2 3.89Å; F54-V60 HydrophobicContact CE1-CG1 3.91Å; F54-V60 HydrophobicContact CE1-CG2 3.89Å; F54-L108 HydrophobicContact CZ-CB 4.42Å; F54-L108 HydrophobicContact CZ-CD2 3.89Å; F54-Y111 HydrophobicContact CD2-CD2 4.49Å; F54-Y111 HydrophobicContact CD2-CG 4.44Å; F54-Y111 HydrophobicContact CE2-CD2 4.04Å; F54-Y111 HydrophobicContact CE2-CG 4.4Å; F54-Y111 HydrophobicContact CZ-CD2 4.42Å; F54-M112 HydrophobicContact CD1-CB 4Å; F54-M112 HydrophobicContact CE1-CB 4.33Å; F54-Y115 HydrophobicContact CB-CD2 3.96Å; F54-Y115 HydrophobicContact CB-CG 4.37Å; F54-Y115 CarbonylContact O-C 3.46Å; F54-Y115 WeakPolarHBondContact O-CB 3.46Å; F54-S116 WeakPolarHBondContact O-CB 3.21Å; F54-S116 PolarHBondContact O-OG 2.86Å
55S98.9Very high98.7Very high38 Ų3853.4 Ų53.427%0.26628%0.282SS..THydrogen-bonded Turntrans-74.9140.3171.5-64.90000111.5K15 E51K15-S55 PolarHBondContact NZ-O 2.56Å; E51-S55 WeakPolarHBondContact O-CB 3.37Å; E51-S55 PolarHBondContact O-N 3.49Å; E51-S55 VanDerWaalsContact O-N 3.1Å; E51-S55 PolarHBondContact O-OG 2.76Å
56D98.8Very high98.7Very high101 Ų10152.8 Ų52.854%0.5428%0.276SS..THydrogen-bonded Turntrans56.550.4173.8-173.841.2000113.3R12 S116R12-D56 IonicContact CZ-OD1 3.09Å; R12-D56 IonicContact CZ-OD2 2.62Å; R12-D56 VanDerWaalsContact CZ-OD2 3.28Å; R12-D56 IonicContact NH1-OD1 2.69Å; R12-D56 IonicContact NH1-OD2 2.71Å; R12-D56 PolarHBondContact NH1-OD2 3.49Å; R12-D56 PolarHBondContact NH2-O 3.03Å; R12-D56 VanDerWaalsContact NH2-O 3.13Å; R12-D56 IonicContact NH2-OD1 3.53Å; R12-D56 PolarHBondContact NH2-OD1 3.32Å; R12-D56 IonicContact NH2-OD2 3.1Å; R12-D56 PolarHBondContact NH2-OD2 3.35Å; D56-S116 PolarHBondContact N-OG 3.03Å; D56-S116 VanDerWaalsContact N-OG 3.1Å
57V98.9Very high98.7Very high28 Ų2850 Ų5017%0.1727%0.268CS..  trans-123.2144.9175.2-57.50000111.6K15 V60 S116 A119K15-V57 HydrophobicContact CD-CG1 4.42Å; V57-V60 HydrophobicContact CG2-CG2 4.18Å; V57-S116 PolarHBondContact N-OG 3.46Å; V57-S116 VanDerWaalsContact N-OG 3.1Å; V57-S116 WeakPolarHBondContact O-CB 3.41Å; V57-A119 HydrophobicContact CG2-CB 4.18Å; V57-A119 WeakPolarHBondContact O-CB 3.48Å
58D98.8Very high98.7Very high106 Ų10652.2 Ų52.257%0.56728%0.275SS*.SBendtrans-94.3-29.3173.9-58.2-68.3000112A119 W120D58-A119 CarbonylContact O-C 3.54Å; D58-A119 VanDerWaalsContact O-CA 3.25Å; D58-A119 WeakPolarHBondContact O-CA 3.13Å; D58-W120 PolarHBondContact O-N 3Å
59F98.9Very high98.7Very high43 Ų4350.2 Ų50.219%0.18926%0.26CS..EExtended strand (participates in β ladder)trans-138.4140.8-178.3-65-85.9000111.7F9 W120 L122 A305 I308 A309F9-F59 HydrophobicContact CE2-CD2 4.3Å; F9-F59 AromaticContact CE2-CE2 3.87Å; F9-F59 HydrophobicContact CE2-CE2 3.87Å; F9-F59 HydrophobicContact CE2-CZ 4.48Å; F9-F59 AromaticContact CZ-CD2 3.75Å; F9-F59 HydrophobicContact CZ-CD2 3.75Å; F9-F59 AromaticContact CZ-CE2 3.81Å; F9-F59 HydrophobicContact CZ-CE2 3.81Å; F59-W120 CarbonylContact C-O 3.04Å; F59-W120 VanDerWaalsContact CA-O 3.26Å; F59-W120 WeakPolarHBondContact CA-O 3.38Å; F59-W120 HydrophobicContact CD1-CB 3.87Å; F59-W120 HydrophobicContact CE1-CB 4Å; F59-L122 HydrophobicContact CD1-CD1 4.04Å; F59-L122 HydrophobicContact CD1-CD2 4.13Å; F59-L122 HydrophobicContact CD1-CG 4.08Å; F59-L122 HydrophobicContact CE1-CD2 4.49Å; F59-A305 HydrophobicContact CD1-CB 4.44Å; F59-A305 HydrophobicContact CE1-CB 4.31Å; F59-A305 HydrophobicContact CZ-CB 4.47Å; F59-A305 WeakPolarHBondContact CZ-O 3.47Å; F59-I308 HydrophobicContact CE1-CB 3.94Å; F59-I308 HydrophobicContact CE1-CG2 3.81Å; F59-I308 HydrophobicContact CZ-CB 4.09Å; F59-I308 HydrophobicContact CZ-CG2 3.91Å; F59-A309 HydrophobicContact CE2-CB 4.23Å; F59-A309 HydrophobicContact CZ-CB 4.05Å
60V98.9Very high98.7Very high18 Ų1850.5 Ų50.511%0.10927%0.265CS..EExtended strand (participates in β ladder)trans-111.5112.2167.4177.40000108.3F54 V57 A62 M112 W120 M121 L122F54-V60 HydrophobicContact CD1-CG2 3.89Å; F54-V60 HydrophobicContact CE1-CG1 3.91Å; F54-V60 HydrophobicContact CE1-CG2 3.89Å; V57-V60 HydrophobicContact CG2-CG2 4.18Å; V60-A62 PolarHBondContact O-N 3.38Å; V60-M112 HydrophobicContact CB-SD 4.09Å; V60-M112 HydrophobicContact CG2-CB 4.21Å; V60-M112 HydrophobicContact CG2-CG 3.8Å; V60-M112 HydrophobicContact CG2-SD 3.72Å; V60-W120 PolarHBondContact N-O 3.42Å; V60-M121 HydrophobicContact CB-CB 4.5Å; V60-M121 HydrophobicContact CB-CG 4.46Å; V60-M121 HydrophobicContact CG1-CE 4.12Å; V60-M121 HydrophobicContact CG1-CG 4.47Å; V60-M121 CarbonylContact O-C 3.51Å; V60-M121 WeakPolarHBondContact O-CA 3.26Å; V60-L122 PolarHBondContact O-N 2.92Å
61M98.6Very high98.7Very high45 Ų4550 Ų5022%0.22226%0.261CS..EExtended strand (participates in β ladder)trans-89.7100.6174.6-68.2-176177.400109.1L2 F9 H63 L122 Y124 I301 A305L2-M61 HydrophobicContact CD1-SD 4.3Å; L2-M61 HydrophobicContact CD2-CE 3.79Å; L2-M61 HydrophobicContact CD2-SD 4.24Å; F9-M61 HydrophobicContact CE1-CE 4.41Å; M61-H63 PolarHBondContact O-CD2 2.82Å; M61-L122 HydrophobicContact CE-CD1 4.32Å; M61-Y124 HydrophobicContact CB-CE1 3.97Å; M61-I301 HydrophobicContact CE-CG2 3.83Å; M61-I301 HydrophobicContact CG-CG2 4.08Å; M61-I301 HydrophobicContact SD-CG2 3.82Å; M61-A305 HydrophobicContact CE-CB 4.27Å
62A98.7Very high98.7Very high3 Ų345.7 Ų45.73%0.02524%0.24CC..EExtended strand (participates in β ladder)trans-100.8119.3-170.600000112.1V60 L108 M121 L122 Y124 S125V60-A62 PolarHBondContact O-N 3.38Å; A62-L108 HydrophobicContact CB-CD1 4.11Å; A62-M121 HydrophobicContact CB-CG 4.16Å; A62-M121 HydrophobicContact CB-SD 4.21Å; A62-L122 PolarHBondContact N-O 3.47Å; A62-Y124 CarbonylContact O-C 3.59Å; A62-Y124 PolarHBondContact O-N 3.24Å; A62-S125 PolarHBondContact O-N 2.87Å; A62-S125 VanDerWaalsContact O-N 3.13Å; A62-S125 PolarHBondContact O-OG 3.3Å
63H97.9Very high98.7Very high125 Ų12544.8 Ų44.858%0.57923%0.232SC*.  trans-14244.1179.558106.3000112.6M61 Y124 S125M61-H63 PolarHBondContact O-CD2 2.82Å; H63-Y124 HydrophobicContact CB-CD2 3.74Å; H63-Y124 HydrophobicContact CB-CE1 4.41Å; H63-Y124 HydrophobicContact CB-CE2 3.27Å; H63-Y124 AromaticContact CD2-CZ 3.58Å; H63-Y124 PolarHBondContact CD2-OH 3.38Å; H63-Y124 AromaticContact CG-CE2 3.75Å; H63-Y124 AromaticContact CG-CZ 3.79Å; H63-S125 WeakPolarHBondContact CA-OG 3.2Å; H63-S125 PolarHBondContact N-OG 3.09Å
64I98.6Very high98.6Very high51 Ų5147 Ų4726%0.26224%0.242SC..  trans-72.4153.7-179.860.5165.5000111.1V66 Y97 V105 L108 S125I64-V66 HydrophobicContact CD1-CG2 4.02Å; I64-Y97 PolarHBondContact O-OH 2.92Å; I64-V105 HydrophobicContact CD1-CG2 4Å; I64-V105 HydrophobicContact CG1-CG2 4.41Å; I64-L108 HydrophobicContact CD1-CD1 3.91Å; I64-L108 HydrophobicContact CD1-CG 4.47Å; I64-L108 HydrophobicContact CG1-CD1 4.24Å; I64-L108 HydrophobicContact CG2-CD1 3.84Å; I64-S125 PolarHBondContact N-OG 3.4Å
65R98.7Very high98.6Very high63 Ų6346.7 Ų46.724%0.23824%0.24CC..  trans-131.790.8169.2-177.5-179.4-59.9-75-1.6109.9G67 K68 E88 Y97R65-G67 PolarHBondContact O-N 2.82Å; R65-K68 PolarHBondContact O-N 2.98Å; R65-E88 IonicContact CZ-OE1 3.48Å; R65-E88 IonicContact NH1-OE1 2.81Å; R65-E88 PolarHBondContact NH1-OE1 3.3Å; R65-E88 IonicContact NH2-OE1 2.85Å; R65-E88 PolarHBondContact NH2-OE1 2.88Å; R65-Y97 WeakPolarHBondContact CA-OH 3.33Å; R65-Y97 HydrophobicContact CG-CE2 3.92Å
66V98.7Very high98.7Very high33 Ų3345 Ų4520%0.223%0.229CC..THydrogen-bonded Turntrans-61.3120.8178.4-173.70000109.6I64 R100 Y414I64-V66 HydrophobicContact CD1-CG2 4.02Å; V66-R100 HydrophobicContact CB-CB 4Å; V66-R100 HydrophobicContact CG1-CB 3.89Å; V66-R100 PolarHBondContact O-NE 2.82Å; V66-Y414 HydrophobicContact CG1-CD1 3.86Å; V66-Y414 HydrophobicContact CG1-CE1 4.4Å
67G98.5Very high98.7Very high9 Ų941.4 Ų41.49%0.09321%0.208CC..THydrogen-bonded Turntrans89.7-5.6-174.200000115.7R65 M71R65-G67 PolarHBondContact O-N 2.82Å; G67-M71 VanDerWaalsContact CA-CG 3.47Å; G67-M71 WeakPolarHBondContact O-CB 3.4Å; G67-M71 WeakPolarHBondContact O-CG 3.25Å; G67-M71 PolarHBondContact O-N 2.89Å
68K98.4Very high98.7Very high71 Ų7140.3 Ų40.331%0.30920%0.201SC..Hα-helixtrans54.3-157.4175.7-58.6170.9-170.3159.30112.4D20 R65 R72D20-K68 IonicContact OD2-NZ 2.93Å; D20-K68 PolarHBondContact OD2-NZ 3.32Å; R65-K68 PolarHBondContact O-N 2.98Å; K68-R72 PolarHBondContact O-N 2.82Å
69Y98.3Very high98.7Very high36 Ų3635.2 Ų35.214%0.14117%0.174CC..Hα-helixtrans-68.7-32.9177.6-70.7-68.1000115.2M71 R72 E73 V266 M267 E271Y69-M71 VanDerWaalsContact C-N 3.31Å; Y69-M71 PolarHBondContact O-N 3.04Å; Y69-R72 PolarHBondContact O-N 3.25Å; Y69-R72 VanDerWaalsContact O-N 3.16Å; Y69-E73 PolarHBondContact O-N 2.97Å; Y69-V266 HydrophobicContact CD1-CB 4.4Å; Y69-V266 HydrophobicContact CD1-CG1 4.11Å; Y69-V266 HydrophobicContact CE1-CB 3.92Å; Y69-V266 HydrophobicContact CE1-CG1 3.3Å; Y69-V266 HydrophobicContact CE2-CG1 4Å; Y69-V266 VanDerWaalsContact OH-CG1 3.23Å; Y69-V266 WeakPolarHBondContact OH-CG1 3.46Å; Y69-M267 VanDerWaalsContact CB-CG 3.46Å; Y69-M267 VanDerWaalsContact CB-SD 3.56Å; Y69-M267 HydrophobicContact CD2-CG 4.32Å; Y69-M267 HydrophobicContact CG-CG 3.87Å; Y69-E271 WeakPolarHBondContact CD2-OE2 3.22Å
70P98.3Very high98.7Very high76 Ų7633.8 Ų33.849%0.49417%0.168SC..Hα-helixtrans-57.8-41.8175.6-28.337000112.9E73 L74P70-E73 PolarHBondContact O-N 3.35Å; P70-L74 PolarHBondContact O-N 3.35Å
71M98.8Very high98.6Very high13 Ų1340 Ų406%0.06419%0.19CC..Hα-helixtrans-73.5-35.7175.9-68.7-53-58.400112.8G67 Y69 E73 L74 D75 A410 N411 Y414G67-M71 VanDerWaalsContact CA-CG 3.47Å; G67-M71 WeakPolarHBondContact O-CB 3.4Å; G67-M71 WeakPolarHBondContact O-CG 3.25Å; G67-M71 PolarHBondContact O-N 2.89Å; Y69-M71 VanDerWaalsContact C-N 3.31Å; Y69-M71 PolarHBondContact O-N 3.04Å; M71-E73 VanDerWaalsContact C-N 3.26Å; M71-E73 PolarHBondContact O-N 3.34Å; M71-L74 HydrophobicContact CE-CD1 4.1Å; M71-L74 WeakPolarHBondContact O-CB 2.98Å; M71-L74 PolarHBondContact O-N 3.07Å; M71-L74 VanDerWaalsContact O-N 3.1Å; M71-L74 HydrophobicContact SD-CD1 3.9Å; M71-D75 PolarHBondContact O-N 3.48Å; M71-A410 WeakPolarHBondContact CE-O 3.44Å; M71-N411 WeakPolarHBondContact CE-OD1 3.35Å; M71-Y414 HydrophobicContact CE-CD2 4.24Å; M71-Y414 HydrophobicContact CE-CE2 4.29Å; M71-Y414 HydrophobicContact CG-CD2 4.18Å; M71-Y414 HydrophobicContact CG-CE2 3.56Å; M71-Y414 HydrophobicContact SD-CD2 4.18Å; M71-Y414 HydrophobicContact SD-CE2 3.63Å
72R98.8Very high98.6Very high16 Ų1640.6 Ų40.66%0.0619%0.192CC..Hα-helixtrans-59.5-39.1173.3-176.2-170.8166.6139.311.4111.8K68 Y69 L74 D75 E76 E88 A263K68-R72 PolarHBondContact O-N 2.82Å; Y69-R72 PolarHBondContact O-N 3.25Å; Y69-R72 VanDerWaalsContact O-N 3.16Å; R72-L74 VanDerWaalsContact C-N 3.3Å; R72-L74 PolarHBondContact O-N 3.5Å; R72-D75 WeakPolarHBondContact CA-OD2 3.27Å; R72-D75 WeakPolarHBondContact O-CB 3.47Å; R72-D75 PolarHBondContact O-N 3.28Å; R72-E76 IonicContact CZ-OE1 2.93Å; R72-E76 IonicContact NE-OE1 3.44Å; R72-E76 PolarHBondContact NE-OE1 3.25Å; R72-E76 IonicContact NH2-OE1 2.84Å; R72-E76 PolarHBondContact NH2-OE1 2.85Å; R72-E76 WeakPolarHBondContact O-CG 3.37Å; R72-E76 PolarHBondContact O-N 3.44Å; R72-E88 IonicContact CZ-OE2 3.51Å; R72-E88 IonicContact NH1-OE1 2.8Å; R72-E88 IonicContact NH1-OE2 2.69Å; R72-E88 PolarHBondContact NH1-OE2 3.32Å; R72-E88 IonicContact NH2-OE2 3.63Å; R72-E88 PolarHBondContact NH2-OE2 2.89Å; R72-A263 HydrophobicContact CB-CB 4.23Å; R72-A263 HydrophobicContact CG-CB 3.97Å
73E98.8Very high98.6Very high49 Ų4942.7 Ų42.723%0.22921%0.213CC..Hα-helixtrans-59.7-42.4174.7179.5179.7-159.800111.1Y69 P70 M71 E76 K77 A263 N264 M267Y69-E73 PolarHBondContact O-N 2.97Å; P70-E73 PolarHBondContact O-N 3.35Å; M71-E73 VanDerWaalsContact C-N 3.26Å; M71-E73 PolarHBondContact O-N 3.34Å; E73-E76 PolarHBondContact O-N 3.11Å; E73-K77 HydrophobicContact CG-CD 3.78Å; E73-K77 HydrophobicContact CG-CG 4.26Å; E73-K77 WeakPolarHBondContact O-CB 3.35Å; E73-K77 VanDerWaalsContact O-CG 3.31Å; E73-K77 WeakPolarHBondContact O-CG 3.49Å; E73-K77 PolarHBondContact O-N 3.42Å; E73-K77 WeakPolarHBondContact OE1-CE 3.42Å; E73-K77 IonicContact OE1-NZ 2.72Å; E73-K77 PolarHBondContact OE1-NZ 3Å; E73-A263 HydrophobicContact CB-CB 3.87Å; E73-N264 VanDerWaalsContact CD-ND2 3.33Å; E73-N264 PolarHBondContact OE1-ND2 3.32Å; E73-M267 HydrophobicContact CB-CE 4.2Å
74L98.8Very high98.7Very high55 Ų5536.8 Ų36.829%0.28819%0.186SC..Hα-helixtrans-67.1-39.6176-61.5-179.7000112.3P70 M71 R72 E76 K77 I78 A410P70-L74 PolarHBondContact O-N 3.35Å; M71-L74 HydrophobicContact CE-CD1 4.1Å; M71-L74 WeakPolarHBondContact O-CB 2.98Å; M71-L74 PolarHBondContact O-N 3.07Å; M71-L74 VanDerWaalsContact O-N 3.1Å; M71-L74 HydrophobicContact SD-CD1 3.9Å; R72-L74 VanDerWaalsContact C-N 3.3Å; R72-L74 PolarHBondContact O-N 3.5Å; L74-E76 PolarHBondContact O-N 3.46Å; L74-K77 PolarHBondContact O-N 3Å; L74-I78 HydrophobicContact CB-CD1 4.04Å; L74-I78 VanDerWaalsContact O-CB 3.31Å; L74-I78 WeakPolarHBondContact O-CB 3.4Å; L74-I78 WeakPolarHBondContact O-CG1 3.4Å; L74-I78 PolarHBondContact O-N 3.25Å; L74-A410 HydrophobicContact CD1-CB 4.05Å
75D98.9Very high98.7Very high1 Ų134.3 Ų34.31%0.00517%0.174CC..Hα-helixtrans-59.6-32.6175.3-59.9-29.5000112.3M71 R72 P79 G93 A96 R100M71-D75 PolarHBondContact O-N 3.48Å; R72-D75 WeakPolarHBondContact CA-OD2 3.27Å; R72-D75 WeakPolarHBondContact O-CB 3.47Å; R72-D75 PolarHBondContact O-N 3.28Å; D75-P79 WeakPolarHBondContact O-CD 3.47Å; D75-P79 VanDerWaalsContact O-CG 3.22Å; D75-P79 WeakPolarHBondContact O-CG 3.43Å; D75-G93 WeakPolarHBondContact O-CA 3.5Å; D75-A96 WeakPolarHBondContact OD1-CB 3.49Å; D75-R100 IonicContact OD1-CZ 2.56Å; D75-R100 IonicContact OD1-NH1 2.67Å; D75-R100 PolarHBondContact OD1-NH1 3.17Å; D75-R100 IonicContact OD1-NH2 3.58Å; D75-R100 PolarHBondContact OD1-NH2 3.3Å; D75-R100 IonicContact OD2-CZ 2.62Å; D75-R100 IonicContact OD2-NH1 3.56Å; D75-R100 PolarHBondContact OD2-NH1 2.51Å; D75-R100 IonicContact OD2-NH2 3.63Å; D75-R100 PolarHBondContact OD2-NH2 3.34Å
76E98.9Very high98.7Very high4 Ų432 Ų322%0.01917%0.169CC..Hα-helixtrans-85.2-44.4178.5-67.6170.2179.800111.1R72 E73 L74 L80 G86 T261 R262 A263R72-E76 IonicContact CZ-OE1 2.93Å; R72-E76 IonicContact NE-OE1 3.44Å; R72-E76 PolarHBondContact NE-OE1 3.25Å; R72-E76 IonicContact NH2-OE1 2.84Å; R72-E76 PolarHBondContact NH2-OE1 2.85Å; R72-E76 WeakPolarHBondContact O-CG 3.37Å; R72-E76 PolarHBondContact O-N 3.44Å; E73-E76 PolarHBondContact O-N 3.11Å; L74-E76 PolarHBondContact O-N 3.46Å; E76-L80 WeakPolarHBondContact O-CD1 3.43Å; E76-L80 VanDerWaalsContact O-CG 3.26Å; E76-L80 WeakPolarHBondContact O-CG 3.35Å; E76-G86 WeakPolarHBondContact O-CA 3.48Å; E76-T261 HydrophobicContact CB-CG2 3.9Å; E76-T261 WeakPolarHBondContact OE2-CB 3.26Å; E76-T261 PolarHBondContact OE2-OG1 3.35Å; E76-R262 PolarHBondContact OE2-N 3.02Å; E76-R262 VanDerWaalsContact OE2-N 3.13Å; E76-A263 VanDerWaalsContact OE2-CB 3.32Å; E76-A263 WeakPolarHBondContact OE2-CB 3.28Å; E76-A263 PolarHBondContact OE2-N 2.93Å
77K98.9Very high98.7Very high24 Ų2431.1 Ų31.110%0.10416%0.162CC..Hα-helixtrans-76.6-39.2-174.2-69.5-171.9173.6178.30114.1E73 L74 L80 R81 P258 E259 T261 N264E73-K77 HydrophobicContact CG-CD 3.78Å; E73-K77 HydrophobicContact CG-CG 4.26Å; E73-K77 WeakPolarHBondContact O-CB 3.35Å; E73-K77 VanDerWaalsContact O-CG 3.31Å; E73-K77 WeakPolarHBondContact O-CG 3.49Å; E73-K77 PolarHBondContact O-N 3.42Å; E73-K77 WeakPolarHBondContact OE1-CE 3.42Å; E73-K77 IonicContact OE1-NZ 2.72Å; E73-K77 PolarHBondContact OE1-NZ 3Å; L74-K77 PolarHBondContact O-N 3Å; K77-L80 PolarHBondContact O-N 3.4Å; K77-R81 WeakPolarHBondContact O-CG 3.11Å; K77-R81 PolarHBondContact O-N 3.27Å; K77-R81 VanDerWaalsContact O-N 3.14Å; K77-P258 WeakPolarHBondContact CG-O 3.37Å; K77-E259 WeakPolarHBondContact CE-O 3.32Å; K77-E259 PolarHBondContact NZ-O 3.36Å; K77-T261 HydrophobicContact CG-CG2 3.6Å; K77-N264 WeakPolarHBondContact CE-OD1 3.33Å; K77-N264 PolarHBondContact NZ-OD1 2.92Å
78I98.9Very high98.7Very high5 Ų531.6 Ų31.63%0.02616%0.162CC..Hα-helixtrans-60.5-52.3-177.4-69167.7000110.7L74 L80 R81 H82 I403 E406 L407 A410L74-I78 HydrophobicContact CB-CD1 4.04Å; L74-I78 VanDerWaalsContact O-CB 3.31Å; L74-I78 WeakPolarHBondContact O-CB 3.4Å; L74-I78 WeakPolarHBondContact O-CG1 3.4Å; L74-I78 PolarHBondContact O-N 3.25Å; I78-L80 VanDerWaalsContact C-N 3.32Å; I78-L80 PolarHBondContact O-N 3.38Å; I78-R81 PolarHBondContact O-N 3.45Å; I78-H82 PolarHBondContact O-CD2 3.39Å; I78-H82 VanDerWaalsContact O-CD2 3.32Å; I78-I403 HydrophobicContact CG2-CG2 4.47Å; I78-E406 HydrophobicContact CG2-CB 3.72Å; I78-L407 HydrophobicContact CB-CD2 4.18Å; I78-L407 HydrophobicContact CD1-CD2 3.94Å; I78-L407 HydrophobicContact CG2-CD2 4.07Å; I78-L407 HydrophobicContact CG2-CG 4.16Å; I78-A410 HydrophobicContact CD1-CB 3.77Å
79P98.9Very high98.7Very high0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-62-38.1178.1-23.236.1000113.1D75 R81 H82 G83 V84 V85 P92D75-P79 WeakPolarHBondContact O-CD 3.47Å; D75-P79 VanDerWaalsContact O-CG 3.22Å; D75-P79 WeakPolarHBondContact O-CG 3.43Å; P79-R81 VanDerWaalsContact C-N 3.31Å; P79-R81 PolarHBondContact O-N 2.86Å; P79-H82 CarbonylContact O-C 3.36Å; P79-H82 WeakPolarHBondContact O-CA 3.49Å; P79-H82 PolarHBondContact O-N 2.84Å; P79-G83 PolarHBondContact O-N 2.94Å; P79-V84 CarbonylContact C-O 3.5Å; P79-V84 HydrophobicContact CB-CB 4.14Å; P79-V84 HydrophobicContact CB-CG1 4.12Å; P79-V84 PolarHBondContact O-N 3.12Å; P79-V85 WeakPolarHBondContact CB-O 3.45Å; P79-P92 HydrophobicContact CB-CB 4.45Å; P79-P92 HydrophobicContact CB-CG 4.4Å; P79-P92 HydrophobicContact CG-CB 3.98Å; P79-P92 HydrophobicContact CG-CG 4.46Å
80L98.7Very high98.7Very high13 Ų1327.3 Ų27.37%0.06815%0.146CC..Hα-helixtrans-62.3-34.9-179.8-76.9173.4000112.9E76 K77 I78 H82 G83 V84 P258 T261E76-L80 WeakPolarHBondContact O-CD1 3.43Å; E76-L80 VanDerWaalsContact O-CG 3.26Å; E76-L80 WeakPolarHBondContact O-CG 3.35Å; K77-L80 PolarHBondContact O-N 3.4Å; I78-L80 VanDerWaalsContact C-N 3.32Å; I78-L80 PolarHBondContact O-N 3.38Å; L80-H82 PolarHBondContact O-N 3.5Å; L80-G83 PolarHBondContact O-N 2.67Å; L80-V84 WeakPolarHBondContact CA-O 3.4Å; L80-V84 PolarHBondContact N-O 3.01Å; L80-P258 HydrophobicContact CB-CB 4.18Å; L80-P258 HydrophobicContact CB-CG 4.35Å; L80-T261 HydrophobicContact CD1-CG2 3.86Å
81R98.1Very high98.7Very high149 Ų14923.9 Ų23.956%0.56212%0.124SC*.Hα-helixtrans-60.8-25.9173.7-70.1173.3-169.5160.32.8113.1K77 I78 P79 E406K77-R81 WeakPolarHBondContact O-CG 3.11Å; K77-R81 PolarHBondContact O-N 3.27Å; K77-R81 VanDerWaalsContact O-N 3.14Å; I78-R81 PolarHBondContact O-N 3.45Å; P79-R81 VanDerWaalsContact C-N 3.31Å; P79-R81 PolarHBondContact O-N 2.86Å; R81-E406 IonicContact NH1-OE2 3.9Å
82H98.6Very high98.7Very high57 Ų5723.2 Ų23.226%0.26412%0.121SC..THydrogen-bonded Turntrans-9711177.1-67-81.2000113.1I78 P79 L80 V84 V399 I403 E406I78-H82 PolarHBondContact O-CD2 3.39Å; I78-H82 VanDerWaalsContact O-CD2 3.32Å; P79-H82 CarbonylContact O-C 3.36Å; P79-H82 WeakPolarHBondContact O-CA 3.49Å; P79-H82 PolarHBondContact O-N 2.84Å; L80-H82 PolarHBondContact O-N 3.5Å; H82-V84 VanDerWaalsContact C-N 3.29Å; H82-V84 PolarHBondContact O-N 3.37Å; H82-V399 HydrophobicContact CB-CG1 4.14Å; H82-I403 HydrophobicContact CB-CD1 3.84Å; H82-I403 HydrophobicContact CB-CG1 3.69Å; H82-E406 IonicContact CD2-OE1 3.52Å; H82-E406 IonicContact CE1-OE1 3.89Å; H82-E406 PolarHBondContact CE1-OE1 3.06Å; H82-E406 IonicContact NE2-OE1 2.78Å; H82-E406 PolarHBondContact NE2-OE1 2.91Å
83G98.5Very high98.7Very high46 Ų4622.5 Ų22.547%0.47412%0.118SC..THydrogen-bonded Turntrans68.527.7-17800000113.5P79 L80P79-G83 PolarHBondContact O-N 2.94Å; L80-G83 PolarHBondContact O-N 2.67Å
84V98.9Very high98.7Very high1 Ų120.2 Ų20.21%0.00611%0.108CC..SBendtrans-116.4151.3179.81730000110.2P79 L80 H82 G86 P92 V253 V394 P395 V399 I403P79-V84 CarbonylContact C-O 3.5Å; P79-V84 HydrophobicContact CB-CB 4.14Å; P79-V84 HydrophobicContact CB-CG1 4.12Å; P79-V84 PolarHBondContact O-N 3.12Å; L80-V84 WeakPolarHBondContact CA-O 3.4Å; L80-V84 PolarHBondContact N-O 3.01Å; H82-V84 VanDerWaalsContact C-N 3.29Å; H82-V84 PolarHBondContact O-N 3.37Å; V84-G86 PolarHBondContact O-N 2.83Å; V84-G86 VanDerWaalsContact O-N 3.15Å; V84-P92 HydrophobicContact CG1-CG 3.78Å; V84-V253 VanDerWaalsContact C-CG2 3.43Å; V84-V394 HydrophobicContact CG1-CG2 4.08Å; V84-P395 HydrophobicContact CG2-CG 4.42Å; V84-V399 HydrophobicContact CG2-CG1 3.71Å; V84-I403 HydrophobicContact CB-CD1 3.8Å; V84-I403 HydrophobicContact CG1-CD1 4.09Å; V84-I403 HydrophobicContact CG2-CD1 3.68Å
85V98.8Very high98.8Very high0 Ų017.9 Ų17.90%010%0.096CC..  trans-54.5119177.7175.10000110.7P79 Q87 Y245 P249 V252 V253 T393P79-V85 WeakPolarHBondContact CB-O 3.45Å; V85-Q87 HydrophobicContact CG1-CB 3.96Å; V85-Y245 HydrophobicContact CG1-CD1 3.81Å; V85-Y245 HydrophobicContact CG1-CG 4.46Å; V85-P249 HydrophobicContact CG2-CB 3.79Å; V85-V252 HydrophobicContact CG1-CG1 4.08Å; V85-V252 HydrophobicContact CG2-CB 4.14Å; V85-V252 HydrophobicContact CG2-CG1 4.1Å; V85-V253 HydrophobicContact CG2-CG2 4.01Å; V85-T393 HydrophobicContact CB-CG2 4.49Å
86G98.7Very high98.8Very high13 Ų1317.8 Ų17.813%0.13410%0.095CC..  trans-99109.1167.500000110.5E76 V84E76-G86 WeakPolarHBondContact O-CA 3.48Å; V84-G86 PolarHBondContact O-N 2.83Å; V84-G86 VanDerWaalsContact O-N 3.15Å
87Q98.7Very high98.8Very high15 Ų1517.7 Ų17.77%0.0710%0.095CC..  trans-148.5150.9-176.1-155.5-77.5-36.900110V85 T89 C90 G93 G94 Y245V85-Q87 HydrophobicContact CG1-CB 3.96Å; Q87-T89 VanDerWaalsContact C-N 3.31Å; Q87-T89 PolarHBondContact O-N 2.99Å; Q87-T89 PolarHBondContact OE1-OG1 2.73Å; Q87-C90 HydrophobicContact CB-CB 4.23Å; Q87-C90 HydrophobicContact CG-CB 4.42Å; Q87-G93 CarbonylContact O-C 3.33Å; Q87-G94 PolarHBondContact O-N 3.25Å; Q87-G94 VanDerWaalsContact O-N 3.1Å; Q87-Y245 HydrophobicContact CB-CE1 4.44Å; Q87-Y245 HydrophobicContact CG-CD1 4.13Å; Q87-Y245 HydrophobicContact CG-CD2 4.42Å; Q87-Y245 HydrophobicContact CG-CE1 3.67Å; Q87-Y245 HydrophobicContact CG-CE2 4.01Å; Q87-Y245 HydrophobicContact CG-CG 4.5Å
88E98.7Very high98.8Very high20 Ų2016.6 Ų16.69%0.0939%0.09CC..SBendtrans-54.6-37.6-176.1-176.4-174.7178.400115.5R65 R72 G94 Y97R65-E88 IonicContact CZ-OE1 3.48Å; R65-E88 IonicContact NH1-OE1 2.81Å; R65-E88 PolarHBondContact NH1-OE1 3.3Å; R65-E88 IonicContact NH2-OE1 2.85Å; R65-E88 PolarHBondContact NH2-OE1 2.88Å; R72-E88 IonicContact CZ-OE2 3.51Å; R72-E88 IonicContact NH1-OE1 2.8Å; R72-E88 IonicContact NH1-OE2 2.69Å; R72-E88 PolarHBondContact NH1-OE2 3.32Å; R72-E88 IonicContact NH2-OE2 3.63Å; R72-E88 PolarHBondContact NH2-OE2 2.89Å; E88-G94 WeakPolarHBondContact O-CA 3.4Å; E88-Y97 HydrophobicContact CG-CD1 4.32Å; E88-Y97 HydrophobicContact CG-CE1 4.42Å; E88-Y97 WeakPolarHBondContact O-CD1 3.3Å
89T98.7Very high98.8Very high15 Ų1516.4 Ų16.49%0.0929%0.089CC..SBendtrans-132.8-8.9-169.363.40000113.7Q87 G94 N126 P127 H179 Y242Q87-T89 VanDerWaalsContact C-N 3.31Å; Q87-T89 PolarHBondContact O-N 2.99Å; Q87-T89 PolarHBondContact OE1-OG1 2.73Å; T89-G94 VanDerWaalsContact C-CA 3.42Å; T89-N126 HydrophobicContact CG2-CB 3.79Å; T89-P127 HydrophobicContact CG2-CB 4.16Å; T89-H179 PolarHBondContact OG1-CE1 3.24Å; T89-H179 PolarHBondContact OG1-ND1 3.29Å; T89-Y242 WeakPolarHBondContact OG1-CE1 3.48Å
90C98.8Very high98.8Very high1 Ų116.6 Ų16.61%0.0079%0.09CC..SBendtrans-118.3147.3-178.3-670000110.5Q87 G94 Y242 Y245 Y246Q87-C90 HydrophobicContact CB-CB 4.23Å; Q87-C90 HydrophobicContact CG-CB 4.42Å; C90-G94 PolarHBondContact O-N 3.15Å; C90-Y242 WeakPolarHBondContact SG-CD1 3.46Å; C90-Y245 HydrophobicContact CB-CD2 4.17Å; C90-Y245 HydrophobicContact CB-CG 4.2Å; C90-Y246 HydrophobicContact CB-CE2 4.21Å; C90-Y246 PolarHBondContact SG-OH 2.89Å; C90-Y246 VanDerWaalsContact SG-OH 3.36Å
91G98.8Very high98.8Very high4 Ų416 Ų164%0.0419%0.086CC..Hα-helixtrans65.5-161.6-178.200000113.5G93 G94 I95 T393G91-G93 VanDerWaalsContact C-N 3.26Å; G91-G93 PolarHBondContact O-N 3.43Å; G91-G94 PolarHBondContact O-N 3.37Å; G91-G94 VanDerWaalsContact O-N 3.15Å; G91-I95 WeakPolarHBondContact O-CG1 3.41Å; G91-I95 PolarHBondContact O-N 3.48Å; G91-T393 VanDerWaalsContact CA-OG1 3.27Å; G91-T393 WeakPolarHBondContact CA-OG1 3.44Å
92P98.9Very high98.8Very high0 Ų08.9 Ų8.90%06%0.06CC..Hα-helixtrans-63-30.2-173.9-21.632.5000113.9P79 V84 I95 A96 I388 V394 I403 L407P79-P92 HydrophobicContact CB-CB 4.45Å; P79-P92 HydrophobicContact CB-CG 4.4Å; P79-P92 HydrophobicContact CG-CB 3.98Å; P79-P92 HydrophobicContact CG-CG 4.46Å; V84-P92 HydrophobicContact CG1-CG 3.78Å; P92-I95 PolarHBondContact O-N 2.78Å; P92-A96 WeakPolarHBondContact O-CB 3.26Å; P92-A96 PolarHBondContact O-N 3.06Å; P92-I388 HydrophobicContact CB-CG2 4.4Å; P92-I388 HydrophobicContact CG-CG2 4.14Å; P92-V394 HydrophobicContact CG-CG2 3.68Å; P92-I403 HydrophobicContact CB-CG2 3.62Å; P92-I403 HydrophobicContact CG-CD1 4.25Å; P92-I403 HydrophobicContact CG-CG2 4.14Å; P92-L407 HydrophobicContact CB-CD1 4.12Å
93G98.9Very high98.8Very high0 Ų07.2 Ų7.20%06%0.058CC..Hα-helixtrans-63.3-46.3173.700000112.4D75 Q87 G91 I95 A96 Y97D75-G93 WeakPolarHBondContact O-CA 3.5Å; Q87-G93 CarbonylContact O-C 3.33Å; G91-G93 VanDerWaalsContact C-N 3.26Å; G91-G93 PolarHBondContact O-N 3.43Å; G93-I95 PolarHBondContact O-N 3.09Å; G93-A96 WeakPolarHBondContact O-CB 3.38Å; G93-A96 PolarHBondContact O-N 3.43Å; G93-Y97 PolarHBondContact O-N 3.38Å
94G98.9Very high98.8Very high1 Ų15.7 Ų5.71%0.014%0.042CC..Hα-helixtrans-61.2-42172.800000113.6Q87 E88 T89 C90 G91 A96 Y97 G98 P127Q87-G94 PolarHBondContact O-N 3.25Å; Q87-G94 VanDerWaalsContact O-N 3.1Å; E88-G94 WeakPolarHBondContact O-CA 3.4Å; T89-G94 VanDerWaalsContact C-CA 3.42Å; C90-G94 PolarHBondContact O-N 3.15Å; G91-G94 PolarHBondContact O-N 3.37Å; G91-G94 VanDerWaalsContact O-N 3.15Å; G94-A96 VanDerWaalsContact C-N 3.31Å; G94-A96 PolarHBondContact O-N 2.84Å; G94-Y97 PolarHBondContact O-N 2.85Å; G94-G98 PolarHBondContact O-N 2.86Å; G94-P127 WeakPolarHBondContact O-CG 3.49Å
95I98.9Very high98.8Very high6 Ų65.7 Ų5.73%0.0314%0.042CC..Hα-helixtrans-59.1-45.7174.1-69.4170.3000110.5G91 P92 G93 Y97 G98 M99 V368 V372 L384 I388G91-I95 WeakPolarHBondContact O-CG1 3.41Å; G91-I95 PolarHBondContact O-N 3.48Å; P92-I95 PolarHBondContact O-N 2.78Å; G93-I95 PolarHBondContact O-N 3.09Å; I95-Y97 PolarHBondContact O-N 3.09Å; I95-G98 PolarHBondContact O-N 2.84Å; I95-M99 PolarHBondContact O-N 3.05Å; I95-V368 HydrophobicContact CD1-CG1 3.67Å; I95-V368 HydrophobicContact CG1-CG1 4.2Å; I95-V372 HydrophobicContact CB-CG2 4.27Å; I95-V372 HydrophobicContact CD1-CG2 4.46Å; I95-V372 HydrophobicContact CG1-CG2 3.98Å; I95-V372 HydrophobicContact CG2-CG1 4.34Å; I95-V372 HydrophobicContact CG2-CG2 3.58Å; I95-L384 HydrophobicContact CG2-CD1 3.65Å; I95-I388 HydrophobicContact CD1-CG1 3.92Å; I95-I388 HydrophobicContact CG2-CG1 4.24Å
96A98.9Very high98.8Very high0 Ų06.2 Ų6.20%05%0.045CC..Hα-helixtrans-64-42.7-179.100000112.8D75 P92 G93 G94 G98 M99 R100 L407 W415D75-A96 WeakPolarHBondContact OD1-CB 3.49Å; P92-A96 WeakPolarHBondContact O-CB 3.26Å; P92-A96 PolarHBondContact O-N 3.06Å; G93-A96 WeakPolarHBondContact O-CB 3.38Å; G93-A96 PolarHBondContact O-N 3.43Å; G94-A96 VanDerWaalsContact C-N 3.31Å; G94-A96 PolarHBondContact O-N 2.84Å; A96-G98 VanDerWaalsContact C-N 3.35Å; A96-M99 PolarHBondContact O-N 3.08Å; A96-R100 PolarHBondContact O-N 3.35Å; A96-L407 HydrophobicContact CB-CD1 4.07Å; A96-L407 HydrophobicContact CB-CD2 3.87Å; A96-L407 HydrophobicContact CB-CG 4.46Å; A96-W415 HydrophobicContact CB-CH2 4.46Å; A96-W415 HydrophobicContact CB-CZ2 3.69Å; A96-W415 PolarHBondContact O-NE1 3.48Å; A96-W415 VanDerWaalsContact O-NE1 3.14Å
97Y98.9Very high98.8Very high2 Ų210.4 Ų10.41%0.0086%0.061CC..Hα-helixtrans-63.2-42.3173.7-177.1-147.5000111.5I64 R65 E88 G93 G94 I95 M99 R100 S101 N126 P127I64-Y97 PolarHBondContact O-OH 2.92Å; R65-Y97 WeakPolarHBondContact CA-OH 3.33Å; R65-Y97 HydrophobicContact CG-CE2 3.92Å; E88-Y97 HydrophobicContact CG-CD1 4.32Å; E88-Y97 HydrophobicContact CG-CE1 4.42Å; E88-Y97 WeakPolarHBondContact O-CD1 3.3Å; G93-Y97 PolarHBondContact O-N 3.38Å; G94-Y97 PolarHBondContact O-N 2.85Å; I95-Y97 PolarHBondContact O-N 3.09Å; Y97-M99 PolarHBondContact O-N 3.33Å; Y97-R100 WeakPolarHBondContact O-CB 3.42Å; Y97-R100 PolarHBondContact O-N 3.49Å; Y97-R100 VanDerWaalsContact O-N 3.09Å; Y97-S101 WeakPolarHBondContact CD2-OG 3.21Å; Y97-S101 WeakPolarHBondContact CE2-OG 3.35Å; Y97-S101 WeakPolarHBondContact O-CB 3.28Å; Y97-S101 PolarHBondContact O-N 3.48Å; Y97-S101 PolarHBondContact O-OG 2.82Å; Y97-N126 HydrophobicContact CE1-CB 3.78Å; Y97-N126 WeakPolarHBondContact CE1-O 3.42Å; Y97-N126 PolarHBondContact OH-O 2.81Å; Y97-N126 VanDerWaalsContact OH-O 3.13Å; Y97-P127 HydrophobicContact CD1-CG 4.34Å
98G98.9Very high98.8Very high0 Ų010.3 Ų10.30%06%0.061CC..Hα-helixtrans-55.2-48.2174.200000112.9G94 I95 A96 R100 S101 I102G94-G98 PolarHBondContact O-N 2.86Å; I95-G98 PolarHBondContact O-N 2.84Å; A96-G98 VanDerWaalsContact C-N 3.35Å; G98-R100 PolarHBondContact O-N 2.72Å; G98-S101 PolarHBondContact O-N 2.86Å; G98-I102 WeakPolarHBondContact O-CG1 3.36Å; G98-I102 PolarHBondContact O-N 2.9Å
99M98.9Very high98.8Very high1 Ų19.4 Ų9.41%0.0056%0.056CC..Hα-helixtrans-58.3-32176.8-76-65.5-68.500113.5I95 A96 Y97 V372 W376 L384 W415 P416 L418I95-M99 PolarHBondContact O-N 3.05Å; A96-M99 PolarHBondContact O-N 3.08Å; Y97-M99 PolarHBondContact O-N 3.33Å; M99-V372 HydrophobicContact CG-CG1 3.84Å; M99-V372 HydrophobicContact SD-CG1 3.68Å; M99-W376 HydrophobicContact CE-CB 4.21Å; M99-W376 HydrophobicContact CE-CG 4.48Å; M99-W376 HydrophobicContact SD-CB 3.91Å; M99-W376 HydrophobicContact SD-CG 4.42Å; M99-L384 HydrophobicContact CE-CD2 4.24Å; M99-L384 HydrophobicContact CG-CD1 4.13Å; M99-L384 HydrophobicContact CG-CD2 4.21Å; M99-L384 HydrophobicContact SD-CD1 4.22Å; M99-L384 HydrophobicContact SD-CD2 4.46Å; M99-W415 HydrophobicContact CB-CD2 3.83Å; M99-W415 HydrophobicContact CB-CG 4.03Å; M99-W415 HydrophobicContact CB-CZ2 3.95Å; M99-W415 HydrophobicContact CE-CD2 4.35Å; M99-W415 HydrophobicContact CE-CE3 4.37Å; M99-W415 HydrophobicContact CG-CD2 4.37Å; M99-W415 HydrophobicContact CG-CZ2 4.28Å; M99-P416 HydrophobicContact CE-CG 3.92Å; M99-L418 HydrophobicContact CE-CD1 4.36Å; M99-L418 HydrophobicContact CE-CD2 4.12Å
100R98.9Very high98.8Very high4 Ų411.6 Ų11.62%0.0157%0.068CC..Hα-helixtrans-77.3-40.6172.2-62.7-163.7-64.3-79.2-4.3112.5V66 D75 A96 Y97 G98 N411 Y414V66-R100 HydrophobicContact CB-CB 4Å; V66-R100 HydrophobicContact CG1-CB 3.89Å; V66-R100 PolarHBondContact O-NE 2.82Å; D75-R100 IonicContact OD1-CZ 2.56Å; D75-R100 IonicContact OD1-NH1 2.67Å; D75-R100 PolarHBondContact OD1-NH1 3.17Å; D75-R100 IonicContact OD1-NH2 3.58Å; D75-R100 PolarHBondContact OD1-NH2 3.3Å; D75-R100 IonicContact OD2-CZ 2.62Å; D75-R100 IonicContact OD2-NH1 3.56Å; D75-R100 PolarHBondContact OD2-NH1 2.51Å; D75-R100 IonicContact OD2-NH2 3.63Å; D75-R100 PolarHBondContact OD2-NH2 3.34Å; A96-R100 PolarHBondContact O-N 3.35Å; Y97-R100 WeakPolarHBondContact O-CB 3.42Å; Y97-R100 PolarHBondContact O-N 3.49Å; Y97-R100 VanDerWaalsContact O-N 3.09Å; G98-R100 PolarHBondContact O-N 2.72Å; R100-N411 WeakPolarHBondContact CD-OD1 3.27Å; R100-N411 WeakPolarHBondContact CG-OD1 3.48Å; R100-N411 PolarHBondContact NH1-OD1 3.34Å; R100-Y414 HydrophobicContact CG-CG 4.18Å
101S98.9Very high98.8Very high0 Ų014.5 Ų14.50%08%0.079CC..Hα-helixtrans-70.4-32.9-173.4-680000113.7Y97 G98 G103 G104 V105 N126Y97-S101 WeakPolarHBondContact CD2-OG 3.21Å; Y97-S101 WeakPolarHBondContact CE2-OG 3.35Å; Y97-S101 WeakPolarHBondContact O-CB 3.28Å; Y97-S101 PolarHBondContact O-N 3.48Å; Y97-S101 PolarHBondContact O-OG 2.82Å; G98-S101 PolarHBondContact O-N 2.86Å; S101-G103 PolarHBondContact O-N 3.43Å; S101-G104 PolarHBondContact O-N 3.35Å; S101-V105 WeakPolarHBondContact O-CG2 3.26Å; S101-V105 PolarHBondContact O-N 3.44Å; S101-N126 PolarHBondContact OG-O 3.47Å
102I98.8Very high98.8Very high1 Ų114.4 Ų14.41%0.0058%0.078CC..Hα-helixtrans-53.5-53-177.7-68.2163.2000111.1G98 G104 V105 L106 I130 A134 V373 W376G98-I102 WeakPolarHBondContact O-CG1 3.36Å; G98-I102 PolarHBondContact O-N 2.9Å; I102-G104 PolarHBondContact O-N 2.97Å; I102-V105 PolarHBondContact O-N 3.27Å; I102-L106 HydrophobicContact CG2-CD1 3.83Å; I102-L106 HydrophobicContact CG2-CG 4.36Å; I102-L106 VanDerWaalsContact O-CG 3.26Å; I102-L106 WeakPolarHBondContact O-CG 3.31Å; I102-L106 PolarHBondContact O-N 2.93Å; I102-I130 HydrophobicContact CD1-CG2 3.95Å; I102-I130 HydrophobicContact CG1-CG2 4.27Å; I102-A134 HydrophobicContact CB-CB 4.38Å; I102-A134 HydrophobicContact CD1-CB 4.17Å; I102-A134 HydrophobicContact CG1-CB 3.76Å; I102-A134 HydrophobicContact CG2-CB 3.81Å; I102-V373 HydrophobicContact CD1-CG2 4.33Å; I102-W376 HydrophobicContact CB-CD2 4.27Å; I102-W376 HydrophobicContact CB-CG 4.29Å; I102-W376 HydrophobicContact CD1-CB 3.87Å; I102-W376 HydrophobicContact CD1-CD2 4.45Å; I102-W376 HydrophobicContact CD1-CG 3.76Å; I102-W376 HydrophobicContact CG2-CD2 3.6Å; I102-W376 HydrophobicContact CG2-CE3 3.96Å; I102-W376 HydrophobicContact CG2-CG 4.05Å; I102-W376 HydrophobicContact CG2-CH2 4.17Å; I102-W376 HydrophobicContact CG2-CZ2 3.83Å; I102-W376 HydrophobicContact CG2-CZ3 4.23Å
103G98.3Very high98.8Very high21 Ų2118.1 Ų18.122%0.21610%0.095CC..Hα-helixtrans-61-47.6-178.900000112.6S101 V105 L106 E107S101-G103 PolarHBondContact O-N 3.43Å; G103-V105 PolarHBondContact O-N 3.23Å; G103-L106 PolarHBondContact O-N 3.46Å; G103-E107 PolarHBondContact O-N 2.94Å
104G98.6Very high98.8Very high14 Ų1424.9 Ų24.914%0.14412%0.124CC..Hα-helixtrans-60.6-42.2179.600000112.9S101 I102 E107 L108S101-G104 PolarHBondContact O-N 3.35Å; I102-G104 PolarHBondContact O-N 2.97Å; G104-E107 PolarHBondContact O-N 3.48Å; G104-L108 WeakPolarHBondContact O-CG 3.17Å; G104-L108 PolarHBondContact O-N 2.63Å
105V98.9Very high98.8Very high1 Ų127.4 Ų27.41%0.00613%0.134CC..Hα-helixtrans-70.4-40.8179174.90000111.5I64 S101 I102 G103 E107 L108 V109 V131 T135I64-V105 HydrophobicContact CD1-CG2 4Å; I64-V105 HydrophobicContact CG1-CG2 4.41Å; S101-V105 WeakPolarHBondContact O-CG2 3.26Å; S101-V105 PolarHBondContact O-N 3.44Å; I102-V105 PolarHBondContact O-N 3.27Å; G103-V105 PolarHBondContact O-N 3.23Å; V105-E107 VanDerWaalsContact C-N 3.29Å; V105-E107 PolarHBondContact O-N 3.49Å; V105-L108 PolarHBondContact O-N 3.46Å; V105-L108 VanDerWaalsContact O-N 3.17Å; V105-V109 HydrophobicContact CG1-CG2 4.37Å; V105-V109 WeakPolarHBondContact O-CG2 3.39Å; V105-V109 PolarHBondContact O-N 2.79Å; V105-V131 HydrophobicContact CB-CG1 3.93Å; V105-V131 HydrophobicContact CG1-CG1 3.71Å; V105-V131 HydrophobicContact CG2-CG1 3.82Å; V105-T135 HydrophobicContact CG1-CG2 4.19Å
106L98.9Very high98.8Very high12 Ų1227.6 Ų27.66%0.06314%0.136CC..Hα-helixtrans-60.2-39.1175.9-68.1175.6000111.9I102 G103 V109 D110 L138 R139 W376I102-L106 HydrophobicContact CG2-CD1 3.83Å; I102-L106 HydrophobicContact CG2-CG 4.36Å; I102-L106 VanDerWaalsContact O-CG 3.26Å; I102-L106 WeakPolarHBondContact O-CG 3.31Å; I102-L106 PolarHBondContact O-N 2.93Å; G103-L106 PolarHBondContact O-N 3.46Å; L106-V109 PolarHBondContact O-N 3.4Å; L106-D110 PolarHBondContact O-N 2.96Å; L106-L138 HydrophobicContact CD1-CD1 3.64Å; L106-L138 HydrophobicContact CD2-CB 4.09Å; L106-L138 HydrophobicContact CD2-CD1 4.48Å; L106-R139 HydrophobicContact CD2-CG 3.74Å; L106-W376 HydrophobicContact CD1-CH2 3.79Å; L106-W376 HydrophobicContact CD1-CZ2 4.43Å; L106-W376 HydrophobicContact CD1-CZ3 4.13Å
107E98.8Very high98.8Very high101 Ų10131.8 Ų31.847%0.47216%0.163SC..Hα-helixtrans-60.2-45.5173.7-74.8179.3-174.500112.2G103 G104 V105 V109 D110 Y111G103-E107 PolarHBondContact O-N 2.94Å; G104-E107 PolarHBondContact O-N 3.48Å; V105-E107 VanDerWaalsContact C-N 3.29Å; V105-E107 PolarHBondContact O-N 3.49Å; E107-V109 VanDerWaalsContact C-N 3.31Å; E107-V109 PolarHBondContact O-N 3.25Å; E107-D110 PolarHBondContact O-N 3.14Å; E107-Y111 HydrophobicContact CB-CE2 4.1Å; E107-Y111 WeakPolarHBondContact O-CD2 3.38Å; E107-Y111 VanDerWaalsContact O-CG 3.26Å; E107-Y111 PolarHBondContact O-N 2.78Å
108L98.9Very high98.8Very high13 Ų1338.2 Ų38.27%0.06820%0.197CC..Hα-helixtrans-63.1-39.2177.9-57.9-176000111.8Y17 F54 A62 I64 G104 V105 D110 Y111 M112 M121Y17-L108 HydrophobicContact CD1-CD2 4.06Å; Y17-L108 HydrophobicContact CE1-CD2 3.64Å; F54-L108 HydrophobicContact CZ-CB 4.42Å; F54-L108 HydrophobicContact CZ-CD2 3.89Å; A62-L108 HydrophobicContact CB-CD1 4.11Å; I64-L108 HydrophobicContact CD1-CD1 3.91Å; I64-L108 HydrophobicContact CD1-CG 4.47Å; I64-L108 HydrophobicContact CG1-CD1 4.24Å; I64-L108 HydrophobicContact CG2-CD1 3.84Å; G104-L108 WeakPolarHBondContact O-CG 3.17Å; G104-L108 PolarHBondContact O-N 2.63Å; V105-L108 PolarHBondContact O-N 3.46Å; V105-L108 VanDerWaalsContact O-N 3.17Å; L108-D110 VanDerWaalsContact C-N 3.35Å; L108-Y111 PolarHBondContact O-N 2.89Å; L108-M112 WeakPolarHBondContact O-CB 3.49Å; L108-M112 PolarHBondContact O-N 3.43Å; L108-M121 HydrophobicContact CB-CE 3.55Å
109V98.9Very high98.8Very high0 Ų038.3 Ų38.30%020%0.198CC..Hα-helixtrans-62.4-46.3176.8173.10000109.7V105 L106 E107 Y111 M112 E113 M121 R139 A142 I144V105-V109 HydrophobicContact CG1-CG2 4.37Å; V105-V109 WeakPolarHBondContact O-CG2 3.39Å; V105-V109 PolarHBondContact O-N 2.79Å; L106-V109 PolarHBondContact O-N 3.4Å; E107-V109 VanDerWaalsContact C-N 3.31Å; E107-V109 PolarHBondContact O-N 3.25Å; V109-Y111 PolarHBondContact O-N 3.19Å; V109-M112 WeakPolarHBondContact O-CB 3.37Å; V109-M112 PolarHBondContact O-N 2.87Å; V109-E113 HydrophobicContact CG1-CG 4.44Å; V109-E113 PolarHBondContact O-N 3.29Å; V109-M121 HydrophobicContact CB-CE 4.49Å; V109-M121 HydrophobicContact CG2-CE 3.8Å; V109-M121 HydrophobicContact CG2-SD 3.83Å; V109-R139 HydrophobicContact CG1-CB 4.31Å; V109-R139 HydrophobicContact CG1-CG 3.94Å; V109-A142 HydrophobicContact CG1-CB 3.77Å; V109-I144 HydrophobicContact CB-CD1 4.41Å; V109-I144 HydrophobicContact CG1-CD1 4.02Å; V109-I144 HydrophobicContact CG2-CD1 3.45Å; V109-I144 VanDerWaalsContact CG2-CD1 3.45Å; V109-I144 HydrophobicContact CG2-CG1 4.05Å
110D98.9Very high98.8Very high62 Ų6239.7 Ų39.733%0.33220%0.203SC..Hα-helixtrans-65.1-39.2-179.2-67.7-12.4000112.2L106 E107 L108 K114 R139L106-D110 PolarHBondContact O-N 2.96Å; E107-D110 PolarHBondContact O-N 3.14Å; L108-D110 VanDerWaalsContact C-N 3.35Å; D110-K114 WeakPolarHBondContact O-CB 3.34Å; D110-K114 PolarHBondContact O-N 3.5Å; D110-R139 IonicContact OD1-CZ 3.87Å; D110-R139 IonicContact OD1-NE 3.5Å; D110-R139 PolarHBondContact OD1-NE 2.76Å; D110-R139 IonicContact OD1-NH2 2.8Å; D110-R139 PolarHBondContact OD1-NH2 2.96Å; D110-R139 IonicContact OD2-CZ 3.5Å; D110-R139 IonicContact OD2-NH2 2.68Å; D110-R139 PolarHBondContact OD2-NH2 2.99Å
111Y98.9Very high98.8Very high62 Ų6239.5 Ų39.524%0.24320%0.202CC..Hα-helixtrans-64.5-44.1172.9-62-37.2000111.9P50 F54 E107 L108 V109 K114 Y115P50-Y111 HydrophobicContact CB-CD1 3.7Å; P50-Y111 HydrophobicContact CB-CD2 3.86Å; P50-Y111 HydrophobicContact CB-CE1 3.87Å; P50-Y111 HydrophobicContact CB-CE2 4.05Å; P50-Y111 HydrophobicContact CB-CG 3.71Å; P50-Y111 HydrophobicContact CG-CD1 4.25Å; P50-Y111 HydrophobicContact CG-CD2 4.16Å; P50-Y111 HydrophobicContact CG-CE1 3.91Å; P50-Y111 HydrophobicContact CG-CE2 3.83Å; P50-Y111 HydrophobicContact CG-CG 4.38Å; F54-Y111 HydrophobicContact CD2-CD2 4.49Å; F54-Y111 HydrophobicContact CD2-CG 4.44Å; F54-Y111 HydrophobicContact CE2-CD2 4.04Å; F54-Y111 HydrophobicContact CE2-CG 4.4Å; F54-Y111 HydrophobicContact CZ-CD2 4.42Å; E107-Y111 HydrophobicContact CB-CE2 4.1Å; E107-Y111 WeakPolarHBondContact O-CD2 3.38Å; E107-Y111 VanDerWaalsContact O-CG 3.26Å; E107-Y111 PolarHBondContact O-N 2.78Å; L108-Y111 PolarHBondContact O-N 2.89Å; V109-Y111 PolarHBondContact O-N 3.19Å; Y111-K114 PolarHBondContact O-N 3.45Å; Y111-Y115 HydrophobicContact CD1-CE2 4.3Å; Y111-Y115 WeakPolarHBondContact O-CD2 3.41Å; Y111-Y115 PolarHBondContact O-N 3.36Å
112M98.9Very high98.8Very high2 Ų239.5 Ų39.51%0.0120%0.202CC..Hα-helixtrans-60.1-51.9177.6-177.2-17770.500111.2F54 V60 L108 V109 K114 Y115 S116 A119 M121F54-M112 HydrophobicContact CD1-CB 4Å; F54-M112 HydrophobicContact CE1-CB 4.33Å; V60-M112 HydrophobicContact CB-SD 4.09Å; V60-M112 HydrophobicContact CG2-CB 4.21Å; V60-M112 HydrophobicContact CG2-CG 3.8Å; V60-M112 HydrophobicContact CG2-SD 3.72Å; L108-M112 WeakPolarHBondContact O-CB 3.49Å; L108-M112 PolarHBondContact O-N 3.43Å; V109-M112 WeakPolarHBondContact O-CB 3.37Å; V109-M112 PolarHBondContact O-N 2.87Å; M112-K114 VanDerWaalsContact C-N 3.25Å; M112-K114 PolarHBondContact O-N 3.29Å; M112-Y115 PolarHBondContact O-N 3.49Å; M112-S116 CarbonylContact O-C 3.59Å; M112-S116 WeakPolarHBondContact O-CA 3.49Å; M112-S116 PolarHBondContact O-N 3.4Å; M112-S116 VanDerWaalsContact O-O 3.08Å; M112-A119 HydrophobicContact CG-CB 3.78Å; M112-A119 HydrophobicContact SD-CB 3.94Å; M112-M121 HydrophobicContact CE-CB 3.8Å; M112-M121 HydrophobicContact SD-CB 3.71Å; M112-M121 PolarHBondContact SD-N 3.02Å
113E98.8Very high98.8Very high77 Ų7739.4 Ų39.436%0.3620%0.202SC..Hα-helixtrans-63.1-33.2179.9-70.7-167.1144.900112.2V109 P117 A142V109-E113 HydrophobicContact CG1-CG 4.44Å; V109-E113 PolarHBondContact O-N 3.29Å; E113-P117 WeakPolarHBondContact O-CG 3.45Å; E113-A142 WeakPolarHBondContact OE1-CA 3.47Å; E113-A142 WeakPolarHBondContact OE1-CB 3.45Å
114K98.9Very high98.7Very high142 Ų14240.7 Ų40.762%0.61720%0.201SC*.Hα-helixtrans-70-47.1178178.9172178177.20113.1D110 Y111 M112D110-K114 WeakPolarHBondContact O-CB 3.34Å; D110-K114 PolarHBondContact O-N 3.5Å; Y111-K114 PolarHBondContact O-N 3.45Å; M112-K114 VanDerWaalsContact C-N 3.25Å; M112-K114 PolarHBondContact O-N 3.29Å
115Y98.9Very high98.7Very high55 Ų5540.2 Ų40.222%0.21620%0.195CC..Hα-helixtrans-102.4-22-168.6-60.4-64.3000113.7P50 E51 F54 Y111 M112P50-Y115 HydrophobicContact CB-CE2 4.12Å; E51-Y115 HydrophobicContact CB-CD1 4.24Å; E51-Y115 HydrophobicContact CB-CE1 3.71Å; E51-Y115 HydrophobicContact CB-CE2 4.26Å; E51-Y115 HydrophobicContact CG-CD1 3.92Å; E51-Y115 HydrophobicContact CG-CE1 3.61Å; F54-Y115 HydrophobicContact CB-CD2 3.96Å; F54-Y115 HydrophobicContact CB-CG 4.37Å; F54-Y115 CarbonylContact O-C 3.46Å; F54-Y115 WeakPolarHBondContact O-CB 3.46Å; Y111-Y115 HydrophobicContact CD1-CE2 4.3Å; Y111-Y115 WeakPolarHBondContact O-CD2 3.41Å; Y111-Y115 PolarHBondContact O-N 3.36Å; M112-Y115 PolarHBondContact O-N 3.49Å
116S98.9Very high98.6Very high10 Ų1041.4 Ų41.47%0.0720%0.201CC..  trans-144.675.7172.8-66.90000111.2F54 D56 V57 M112 N118 A119F54-S116 WeakPolarHBondContact O-CB 3.21Å; F54-S116 PolarHBondContact O-OG 2.86Å; D56-S116 PolarHBondContact N-OG 3.03Å; D56-S116 VanDerWaalsContact N-OG 3.1Å; V57-S116 PolarHBondContact N-OG 3.46Å; V57-S116 VanDerWaalsContact N-OG 3.1Å; V57-S116 WeakPolarHBondContact O-CB 3.41Å; M112-S116 CarbonylContact O-C 3.59Å; M112-S116 WeakPolarHBondContact O-CA 3.49Å; M112-S116 PolarHBondContact O-N 3.4Å; M112-S116 VanDerWaalsContact O-O 3.08Å; S116-N118 PolarHBondContact O-N 2.87Å; S116-A119 VanDerWaalsContact O-CB 3.28Å; S116-A119 WeakPolarHBondContact O-CB 3.35Å; S116-A119 PolarHBondContact O-N 3.32Å
117P98.7Very high98.6Very high87 Ų8741 Ų4157%0.56520%0.199SC*.THydrogen-bonded Turntrans-57.3-21.2-172.7-21.627.8000115.6E113E113-P117 WeakPolarHBondContact O-CG 3.45Å
118N98.7Very high98.6Very high137 Ų13736.2 Ų36.273%0.73318%0.177SC*.THydrogen-bonded Turntrans-94.6-7.2-178.8-65.7-39.3000113.5S116 K143S116-N118 PolarHBondContact O-N 2.87Å; N118-K143 PolarHBondContact O-NZ 3.25Å
119A98.9Very high98.6Very high2 Ų236 Ų362%0.01718%0.178CC..  trans-65.6156.7-178.700000111.9V57 D58 M112 S116 K143V57-A119 HydrophobicContact CG2-CB 4.18Å; V57-A119 WeakPolarHBondContact O-CB 3.48Å; D58-A119 CarbonylContact O-C 3.54Å; D58-A119 VanDerWaalsContact O-CA 3.25Å; D58-A119 WeakPolarHBondContact O-CA 3.13Å; M112-A119 HydrophobicContact CG-CB 3.78Å; M112-A119 HydrophobicContact SD-CB 3.94Å; S116-A119 VanDerWaalsContact O-CB 3.28Å; S116-A119 WeakPolarHBondContact O-CB 3.35Å; S116-A119 PolarHBondContact O-N 3.32Å; A119-K143 WeakPolarHBondContact O-CB 3.5Å
120W98.9Very high98.6Very high30 Ų3036.4 Ų36.411%0.11418%0.18CC..EExtended strand (participates in β ladder)trans-106.2132.7169.3-78.496.6000110.6D58 F59 V60 L122 K143 L145 I308D58-W120 PolarHBondContact O-N 3Å; F59-W120 CarbonylContact C-O 3.04Å; F59-W120 VanDerWaalsContact CA-O 3.26Å; F59-W120 WeakPolarHBondContact CA-O 3.38Å; F59-W120 HydrophobicContact CD1-CB 3.87Å; F59-W120 HydrophobicContact CE1-CB 4Å; V60-W120 PolarHBondContact N-O 3.42Å; W120-L122 HydrophobicContact CB-CD2 4.47Å; W120-K143 WeakPolarHBondContact CA-O 3.4Å; W120-K143 HydrophobicContact CD2-CB 3.83Å; W120-K143 HydrophobicContact CE3-CB 3.59Å; W120-K143 HydrophobicContact CE3-CG 4.46Å; W120-K143 HydrophobicContact CG-CB 4.38Å; W120-K143 HydrophobicContact CH2-CB 4.36Å; W120-K143 HydrophobicContact CH2-CG 4.44Å; W120-K143 VanDerWaalsContact CZ2-CE 3.42Å; W120-K143 HydrophobicContact CZ3-CB 3.87Å; W120-K143 HydrophobicContact CZ3-CG 4.42Å; W120-K143 VanDerWaalsContact NE1-NZ 3.19Å; W120-L145 HydrophobicContact CD2-CD1 4.41Å; W120-L145 HydrophobicContact CE3-CD1 3.81Å; W120-L145 HydrophobicContact CE3-CD2 4.13Å; W120-L145 HydrophobicContact CE3-CG 3.71Å; W120-L145 HydrophobicContact CZ3-CD1 4.16Å; W120-L145 HydrophobicContact CZ3-CD2 3.72Å; W120-L145 HydrophobicContact CZ3-CG 3.85Å; W120-I308 VanDerWaalsContact CD1-CG2 3.44Å; W120-I308 HydrophobicContact CD2-CG2 4.37Å; W120-I308 HydrophobicContact CG-CG2 4Å
121M98.9Very high98.6Very high0 Ų033.5 Ų33.50%016%0.164CC..EExtended strand (participates in β ladder)trans-88.1120.5168.1-177.1175.8-74.100109.8V60 A62 L108 V109 M112 N123 K143 I144 L145V60-M121 HydrophobicContact CB-CB 4.5Å; V60-M121 HydrophobicContact CB-CG 4.46Å; V60-M121 HydrophobicContact CG1-CE 4.12Å; V60-M121 HydrophobicContact CG1-CG 4.47Å; V60-M121 CarbonylContact O-C 3.51Å; V60-M121 WeakPolarHBondContact O-CA 3.26Å; A62-M121 HydrophobicContact CB-CG 4.16Å; A62-M121 HydrophobicContact CB-SD 4.21Å; L108-M121 HydrophobicContact CB-CE 3.55Å; V109-M121 HydrophobicContact CB-CE 4.49Å; V109-M121 HydrophobicContact CG2-CE 3.8Å; V109-M121 HydrophobicContact CG2-SD 3.83Å; M112-M121 HydrophobicContact CE-CB 3.8Å; M112-M121 HydrophobicContact SD-CB 3.71Å; M112-M121 PolarHBondContact SD-N 3.02Å; M121-N123 HydrophobicContact CG-CB 4.21Å; M121-N123 HydrophobicContact SD-CB 4.35Å; M121-K143 PolarHBondContact N-O 3Å; M121-I144 HydrophobicContact CB-CG1 4.35Å; M121-I144 HydrophobicContact CB-CG2 4.4Å; M121-I144 HydrophobicContact CG-CG2 4.47Å; M121-I144 HydrophobicContact SD-CG2 4.38Å; M121-L145 PolarHBondContact O-N 3.43Å
122L98.7Very high98.6Very high0 Ų030.6 Ų30.60%015%0.153CC..EExtended strand (participates in β ladder)trans-96.894.3169.3-47.8-171.6000107.1F59 V60 M61 A62 W120 Y124 L145 I301 L304 A305F59-L122 HydrophobicContact CD1-CD1 4.04Å; F59-L122 HydrophobicContact CD1-CD2 4.13Å; F59-L122 HydrophobicContact CD1-CG 4.08Å; F59-L122 HydrophobicContact CE1-CD2 4.49Å; V60-L122 PolarHBondContact O-N 2.92Å; M61-L122 HydrophobicContact CE-CD1 4.32Å; A62-L122 PolarHBondContact N-O 3.47Å; W120-L122 HydrophobicContact CB-CD2 4.47Å; L122-Y124 WeakPolarHBondContact O-CD1 3.42Å; L122-L145 HydrophobicContact CD2-CB 4.27Å; L122-L145 HydrophobicContact CD2-CD1 3.83Å; L122-L145 HydrophobicContact CD2-CG 4.46Å; L122-I301 HydrophobicContact CD1-CG2 4.14Å; L122-L304 HydrophobicContact CB-CD2 4.34Å; L122-L304 HydrophobicContact CD1-CD2 4.48Å; L122-L304 HydrophobicContact CD1-CG 4.37Å; L122-L304 HydrophobicContact CD2-CD2 3.86Å; L122-L304 HydrophobicContact CD2-CG 3.91Å; L122-L304 HydrophobicContact CG-CD2 4.44Å; L122-A305 HydrophobicContact CD1-CB 3.68Å
123N98.7Very high98.6Very high0 Ų030.7 Ų30.70%015%0.153CC..EExtended strand (participates in β ladder)trans-94107.8-174.9-177.529.6000110.9M121 S125 I144 L145 N146 I147M121-N123 HydrophobicContact CG-CB 4.21Å; M121-N123 HydrophobicContact SD-CB 4.35Å; N123-S125 WeakPolarHBondContact OD1-CB 3.5Å; N123-S125 PolarHBondContact OD1-N 3.22Å; N123-S125 PolarHBondContact OD1-OG 2.98Å; N123-I144 HydrophobicContact CB-CG2 4.22Å; N123-L145 PolarHBondContact N-O 2.98Å; N123-N146 PolarHBondContact ND2-OD1 2.8Å; N123-N146 WeakPolarHBondContact O-CA 3.48Å; N123-I147 PolarHBondContact O-N 3.29Å
124Y97.4Very high98.6Very high48 Ų4827 Ų2719%0.18814%0.136CC..  trans-116.122169.755.4-77.7000110.7M61 A62 H63 L122 Y300 I301M61-Y124 HydrophobicContact CB-CE1 3.97Å; A62-Y124 CarbonylContact O-C 3.59Å; A62-Y124 PolarHBondContact O-N 3.24Å; H63-Y124 HydrophobicContact CB-CD2 3.74Å; H63-Y124 HydrophobicContact CB-CE1 4.41Å; H63-Y124 HydrophobicContact CB-CE2 3.27Å; H63-Y124 AromaticContact CD2-CZ 3.58Å; H63-Y124 PolarHBondContact CD2-OH 3.38Å; H63-Y124 AromaticContact CG-CE2 3.75Å; H63-Y124 AromaticContact CG-CZ 3.79Å; L122-Y124 WeakPolarHBondContact O-CD1 3.42Å; Y124-Y300 WeakPolarHBondContact CB-OH 3.07Å; Y124-I301 HydrophobicContact CD1-CD1 3.91Å; Y124-I301 HydrophobicContact CD1-CG1 4.13Å; Y124-I301 HydrophobicContact CD2-CD1 3.88Å; Y124-I301 HydrophobicContact CE1-CD1 3.63Å; Y124-I301 HydrophobicContact CE1-CG1 4.18Å; Y124-I301 HydrophobicContact CE1-CG2 4.14Å; Y124-I301 HydrophobicContact CE2-CD1 3.52Å; Y124-I301 HydrophobicContact CG-CD1 4.05Å; Y124-I301 HydrophobicContact CG-CG1 4.42Å; Y124-I301 VanDerWaalsContact CZ-CD1 3.43Å
125S97.1Very high98.6Very high3 Ų320.6 Ų20.62%0.02111%0.109CC..  trans-73.7148166.2-510000109.7A62 H63 I64 N123A62-S125 PolarHBondContact O-N 2.87Å; A62-S125 VanDerWaalsContact O-N 3.13Å; A62-S125 PolarHBondContact O-OG 3.3Å; H63-S125 WeakPolarHBondContact CA-OG 3.2Å; H63-S125 PolarHBondContact N-OG 3.09Å; I64-S125 PolarHBondContact N-OG 3.4Å; N123-S125 WeakPolarHBondContact OD1-CB 3.5Å; N123-S125 PolarHBondContact OD1-N 3.22Å; N123-S125 PolarHBondContact OD1-OG 2.98Å
126N98.1Very high98.6Very high26 Ų2620.3 Ų20.314%0.13911%0.107CC..SBendtrans-106.5164.6179.5-90-50.2000112.3T89 Y97 S101 A128T89-N126 HydrophobicContact CG2-CB 3.79Å; Y97-N126 HydrophobicContact CE1-CB 3.78Å; Y97-N126 WeakPolarHBondContact CE1-O 3.42Å; Y97-N126 PolarHBondContact OH-O 2.81Å; Y97-N126 VanDerWaalsContact OH-O 3.13Å; S101-N126 PolarHBondContact OG-O 3.47Å; N126-A128 PolarHBondContact OD1-N 3.42Å
127P98.7Very high98.6Very high4 Ų422.6 Ų22.63%0.02611%0.114CC..  cis-79.2116.8-9.730.9-28.8000110.7T89 G94 Y97 A129 I130 V131T89-P127 HydrophobicContact CG2-CB 4.16Å; G94-P127 WeakPolarHBondContact O-CG 3.49Å; Y97-P127 HydrophobicContact CD1-CG 4.34Å; P127-A129 VanDerWaalsContact C-N 3.31Å; P127-A129 PolarHBondContact O-N 3.05Å; P127-I130 HydrophobicContact CG-CB 4.27Å; P127-I130 HydrophobicContact CG-CD1 4.03Å; P127-I130 HydrophobicContact CG-CG1 4.5Å; P127-I130 PolarHBondContact O-N 3.05Å; P127-V131 WeakPolarHBondContact O-CG2 3.48Å; P127-V131 PolarHBondContact O-N 3.21Å; P127-V131 VanDerWaalsContact O-N 3.17Å
128A98.6Very high98.6Very high1 Ų120.7 Ų20.71%0.00810%0.099CC..Hα-helixtrans-65.2-31.3-165.600000113.4N126 A132 I319N126-A128 PolarHBondContact OD1-N 3.42Å; A128-A132 WeakPolarHBondContact O-CA 3.47Å; A128-A132 WeakPolarHBondContact O-CB 3.32Å; A128-A132 PolarHBondContact O-N 3.49Å; A128-I319 HydrophobicContact CB-CD1 3.56Å
129A98.8Very high98.6Very high9 Ų917.3 Ų17.37%0.0748%0.076CC..Hα-helixtrans-58-51.6175.800000113P127 E133 N178 E369P127-A129 VanDerWaalsContact C-N 3.31Å; P127-A129 PolarHBondContact O-N 3.05Å; A129-E133 PolarHBondContact O-N 3.15Å; A129-E133 VanDerWaalsContact O-N 3.08Å; A129-N178 HydrophobicContact CB-CB 4.12Å; A129-E369 HydrophobicContact CB-CG 4.23Å
130I98.9Very high98.6Very high8 Ų821.4 Ų21.44%0.04110%0.103CC..Hα-helixtrans-68.4-44.4-178.4-63.9170.6000110.4I102 P127 E133 A134 E369 V372 V373I102-I130 HydrophobicContact CD1-CG2 3.95Å; I102-I130 HydrophobicContact CG1-CG2 4.27Å; P127-I130 HydrophobicContact CG-CB 4.27Å; P127-I130 HydrophobicContact CG-CD1 4.03Å; P127-I130 HydrophobicContact CG-CG1 4.5Å; P127-I130 PolarHBondContact O-N 3.05Å; I130-E133 PolarHBondContact O-N 2.99Å; I130-A134 PolarHBondContact O-N 3.13Å; I130-E369 HydrophobicContact CG1-CB 4.34Å; I130-E369 HydrophobicContact CG1-CG 4.06Å; I130-V372 HydrophobicContact CD1-CG1 4.31Å; I130-V372 HydrophobicContact CD1-CG2 4.46Å; I130-V372 HydrophobicContact CG2-CB 4.43Å; I130-V372 HydrophobicContact CG2-CG1 3.87Å; I130-V373 HydrophobicContact CG2-CG2 4.18Å
131V98.8Very high98.5Very high1 Ų127.2 Ų27.21%0.00614%0.136CC..Hα-helixtrans-65-41.4179.5173.70000110.9V105 P127 A134 T135V105-V131 HydrophobicContact CB-CG1 3.93Å; V105-V131 HydrophobicContact CG1-CG1 3.71Å; V105-V131 HydrophobicContact CG2-CG1 3.82Å; P127-V131 WeakPolarHBondContact O-CG2 3.48Å; P127-V131 PolarHBondContact O-N 3.21Å; P127-V131 VanDerWaalsContact O-N 3.17Å; V131-A134 PolarHBondContact O-N 3.44Å; V131-T135 HydrophobicContact CG1-CG2 4.45Å; V131-T135 WeakPolarHBondContact O-CG2 3.39Å; V131-T135 PolarHBondContact O-N 3.23Å; V131-T135 PolarHBondContact O-OG1 2.88Å
132A98.8Very high98.5Very high0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-61-46.3176.400000111.1A128 A134 T135 R136 N146 I319 M334A128-A132 WeakPolarHBondContact O-CA 3.47Å; A128-A132 WeakPolarHBondContact O-CB 3.32Å; A128-A132 PolarHBondContact O-N 3.49Å; A132-A134 VanDerWaalsContact C-N 3.33Å; A132-A134 PolarHBondContact O-N 2.94Å; A132-T135 WeakPolarHBondContact CA-OG1 3.18Å; A132-T135 PolarHBondContact O-N 3.49Å; A132-T135 PolarHBondContact O-OG1 3.15Å; A132-R136 WeakPolarHBondContact O-CB 3.49Å; A132-R136 PolarHBondContact O-N 3.4Å; A132-N146 HydrophobicContact CB-CB 4.22Å; A132-I319 HydrophobicContact CB-CG2 3.75Å; A132-M334 HydrophobicContact CB-CB 4.13Å; A132-M334 HydrophobicContact CB-CE 3.87Å; A132-M334 HydrophobicContact CB-CG 3.99Å
133E98.9Very high98.5Very high4 Ų431 Ų312%0.01916%0.155CC..Hα-helixtrans-60.6-41.9175.1176.262-176.200111.8A129 I130 R136 R137 K370 V373A129-E133 PolarHBondContact O-N 3.15Å; A129-E133 VanDerWaalsContact O-N 3.08Å; I130-E133 PolarHBondContact O-N 2.99Å; E133-R136 WeakPolarHBondContact O-CB 3.13Å; E133-R136 PolarHBondContact O-N 2.87Å; E133-R136 IonicContact OE1-CZ 3.76Å; E133-R136 IonicContact OE1-NE 3.65Å; E133-R136 IonicContact OE1-NH2 3.16Å; E133-R136 PolarHBondContact OE1-NH2 3.39Å; E133-R136 IonicContact OE2-CZ 2.83Å; E133-R136 IonicContact OE2-NE 2.73Å; E133-R136 PolarHBondContact OE2-NE 3.29Å; E133-R136 IonicContact OE2-NH2 3.96Å; E133-R137 WeakPolarHBondContact O-CG 3.31Å; E133-R137 PolarHBondContact O-N 3.21Å; E133-R137 VanDerWaalsContact O-N 3.15Å; E133-R137 IonicContact OE1-CZ 3.28Å; E133-R137 IonicContact OE1-NE 2.75Å; E133-R137 PolarHBondContact OE1-NE 3.18Å; E133-R137 IonicContact OE1-NH2 3.76Å; E133-R137 PolarHBondContact OE1-NH2 2.98Å; E133-R137 VanDerWaalsContact OE1-NH2 3.13Å; E133-K370 HydrophobicContact CG-CG 4.15Å; E133-K370 WeakPolarHBondContact OE1-CG 3.42Å; E133-K370 IonicContact OE1-NZ 3.87Å; E133-K370 PolarHBondContact OE1-NZ 2.66Å; E133-K370 IonicContact OE2-NZ 2.83Å; E133-K370 PolarHBondContact OE2-NZ 3.46Å; E133-V373 HydrophobicContact CB-CG2 4.04Å; E133-V373 HydrophobicContact CG-CB 4.18Å; E133-V373 HydrophobicContact CG-CG2 3.78Å
134A98.9Very high98.5Very high1 Ų132.1 Ų32.11%0.00816%0.161CC..Hα-helixtrans-62.6-45.8176.500000112.1I102 I130 V131 A132 R137 L138 V373I102-A134 HydrophobicContact CB-CB 4.38Å; I102-A134 HydrophobicContact CD1-CB 4.17Å; I102-A134 HydrophobicContact CG1-CB 3.76Å; I102-A134 HydrophobicContact CG2-CB 3.81Å; I130-A134 PolarHBondContact O-N 3.13Å; V131-A134 PolarHBondContact O-N 3.44Å; A132-A134 VanDerWaalsContact C-N 3.33Å; A132-A134 PolarHBondContact O-N 2.94Å; A134-R137 PolarHBondContact O-N 3.13Å; A134-L138 VanDerWaalsContact O-CB 3.3Å; A134-L138 WeakPolarHBondContact O-CB 3.4Å; A134-L138 WeakPolarHBondContact O-CG 3.48Å; A134-L138 PolarHBondContact O-N 3.25Å; A134-V373 HydrophobicContact CB-CG1 4.12Å; A134-V373 HydrophobicContact CB-CG2 4.07Å
135T98.8Very high98.6Very high6 Ų630.2 Ų30.24%0.03715%0.154CC..Hα-helixtrans-66.4-36.3177.156.50000112.5V105 V131 A132 R137 R139 I144V105-T135 HydrophobicContact CG1-CG2 4.19Å; V131-T135 HydrophobicContact CG1-CG2 4.45Å; V131-T135 WeakPolarHBondContact O-CG2 3.39Å; V131-T135 PolarHBondContact O-N 3.23Å; V131-T135 PolarHBondContact O-OG1 2.88Å; A132-T135 WeakPolarHBondContact CA-OG1 3.18Å; A132-T135 PolarHBondContact O-N 3.49Å; A132-T135 PolarHBondContact O-OG1 3.15Å; T135-R137 VanDerWaalsContact C-N 3.3Å; T135-R137 PolarHBondContact O-N 3.18Å; T135-R139 CarbonylContact O-C 3.58Å; T135-R139 VanDerWaalsContact O-CA 3.26Å; T135-R139 WeakPolarHBondContact O-CA 3.47Å; T135-R139 PolarHBondContact O-N 3.44Å; T135-I144 HydrophobicContact CG2-CD1 3.85Å
136R98.7Very high98.7Very high49 Ų4930.3 Ų30.319%0.18515%0.154CC..Hα-helixtrans-57-44.3173.9-173.6-162.366.988.4-8.2111.4A132 E133 P140 P321 E332 M334A132-R136 WeakPolarHBondContact O-CB 3.49Å; A132-R136 PolarHBondContact O-N 3.4Å; E133-R136 WeakPolarHBondContact O-CB 3.13Å; E133-R136 PolarHBondContact O-N 2.87Å; E133-R136 IonicContact OE1-CZ 3.76Å; E133-R136 IonicContact OE1-NE 3.65Å; E133-R136 IonicContact OE1-NH2 3.16Å; E133-R136 PolarHBondContact OE1-NH2 3.39Å; E133-R136 IonicContact OE2-CZ 2.83Å; E133-R136 IonicContact OE2-NE 2.73Å; E133-R136 PolarHBondContact OE2-NE 3.29Å; E133-R136 IonicContact OE2-NH2 3.96Å; R136-P140 WeakPolarHBondContact O-CA 3.34Å; R136-P140 WeakPolarHBondContact O-CB 3.49Å; R136-P321 HydrophobicContact CG-CG 4.42Å; R136-E332 WeakPolarHBondContact CD-O 3.3Å; R136-E332 IonicContact CZ-OE2 3.3Å; R136-E332 PolarHBondContact NE-O 3.33Å; R136-E332 VanDerWaalsContact NE-O 3.11Å; R136-E332 IonicContact NH1-OE2 3Å; R136-E332 PolarHBondContact NH1-OE2 2.92Å; R136-E332 IonicContact NH2-OE2 3.11Å; R136-E332 PolarHBondContact NH2-OE2 3.41Å; R136-M334 HydrophobicContact CB-CG 4.24Å; R136-M334 HydrophobicContact CB-SD 3.79Å; R136-M334 HydrophobicContact CG-SD 3.86Å
137R98.7Very high98.7Very high59 Ų5929.4 Ų29.422%0.22315%0.149CC..Hα-helixtrans-76.6-47-179.5-65.8-175-170.8-166.8-1.5113E133 A134 T135 K370 D374 E377E133-R137 WeakPolarHBondContact O-CG 3.31Å; E133-R137 PolarHBondContact O-N 3.21Å; E133-R137 VanDerWaalsContact O-N 3.15Å; E133-R137 IonicContact OE1-CZ 3.28Å; E133-R137 IonicContact OE1-NE 2.75Å; E133-R137 PolarHBondContact OE1-NE 3.18Å; E133-R137 IonicContact OE1-NH2 3.76Å; E133-R137 PolarHBondContact OE1-NH2 2.98Å; E133-R137 VanDerWaalsContact OE1-NH2 3.13Å; A134-R137 PolarHBondContact O-N 3.13Å; T135-R137 VanDerWaalsContact C-N 3.3Å; T135-R137 PolarHBondContact O-N 3.18Å; R137-K370 PolarHBondContact NH2-O 2.76Å; R137-D374 IonicContact CZ-OD1 3.86Å; R137-D374 IonicContact NH1-OD1 3.36Å; R137-D374 PolarHBondContact NH1-OD1 3.44Å; R137-D374 IonicContact NH2-OD1 2.69Å; R137-E377 WeakPolarHBondContact CD-OE2 3.4Å; R137-E377 IonicContact CZ-OE2 2.7Å; R137-E377 IonicContact NE-OE2 3.51Å; R137-E377 IonicContact NH1-OE2 2.82Å; R137-E377 PolarHBondContact NH1-OE2 2.87Å
138L98.7Very high98.6Very high46 Ų4629.6 Ų29.624%0.24115%0.15CC..Hα-helixtrans-95.2-21.1-166.2-63.3172.2000113.4L106 A134 W376 E377L106-L138 HydrophobicContact CD1-CD1 3.64Å; L106-L138 HydrophobicContact CD2-CB 4.09Å; L106-L138 HydrophobicContact CD2-CD1 4.48Å; A134-L138 VanDerWaalsContact O-CB 3.3Å; A134-L138 WeakPolarHBondContact O-CB 3.4Å; A134-L138 WeakPolarHBondContact O-CG 3.48Å; A134-L138 PolarHBondContact O-N 3.25Å; L138-W376 HydrophobicContact CD1-CE3 4.2Å; L138-W376 HydrophobicContact CD1-CZ3 3.86Å; L138-E377 HydrophobicContact CD1-CG 4.24Å; L138-E377 HydrophobicContact CD2-CG 4.17Å; L138-E377 WeakPolarHBondContact CD2-OE1 3.46Å; L138-E377 HydrophobicContact CG-CG 4.48Å
139R98.7Very high98.5Very high66 Ų6631.8 Ų31.825%0.24916%0.162CC..  trans-138.853.7-179.7-63.3-65.9-179.4-77.2-3.2110.9L106 V109 D110 T135 N141 A142 I144L106-R139 HydrophobicContact CD2-CG 3.74Å; V109-R139 HydrophobicContact CG1-CB 4.31Å; V109-R139 HydrophobicContact CG1-CG 3.94Å; D110-R139 IonicContact OD1-CZ 3.87Å; D110-R139 IonicContact OD1-NE 3.5Å; D110-R139 PolarHBondContact OD1-NE 2.76Å; D110-R139 IonicContact OD1-NH2 2.8Å; D110-R139 PolarHBondContact OD1-NH2 2.96Å; D110-R139 IonicContact OD2-CZ 3.5Å; D110-R139 IonicContact OD2-NH2 2.68Å; D110-R139 PolarHBondContact OD2-NH2 2.99Å; T135-R139 CarbonylContact O-C 3.58Å; T135-R139 VanDerWaalsContact O-CA 3.26Å; T135-R139 WeakPolarHBondContact O-CA 3.47Å; T135-R139 PolarHBondContact O-N 3.44Å; R139-N141 PolarHBondContact O-N 3.26Å; R139-A142 HydrophobicContact CB-CB 3.83Å; R139-A142 WeakPolarHBondContact O-CB 3.45Å; R139-A142 PolarHBondContact O-N 3.14Å; R139-A142 VanDerWaalsContact O-N 3.07Å; R139-I144 HydrophobicContact CB-CD1 4.42Å
140P98.3Very high98.4Very high89 Ų8931.8 Ų31.858%0.57816%0.161SC*.THydrogen-bonded Turntrans-60.3-24.5-16923.8-35.4000114.7R136R136-P140 WeakPolarHBondContact O-CA 3.34Å; R136-P140 WeakPolarHBondContact O-CB 3.49Å
141N98.3Very high98.4Very high152 Ų15231.5 Ų31.581%0.81316%0.16SC*.THydrogen-bonded Turntrans-106-1.4-176.9-57.8-42.5000113.2R139R139-N141 PolarHBondContact O-N 3.26Å
142A98.5Very high98.3Very high15 Ų1532.6 Ų32.612%0.12417%0.165CC..SBendtrans-70.2143.3-179.200000110.2V109 E113 R139 I144V109-A142 HydrophobicContact CG1-CB 3.77Å; E113-A142 WeakPolarHBondContact OE1-CA 3.47Å; E113-A142 WeakPolarHBondContact OE1-CB 3.45Å; R139-A142 HydrophobicContact CB-CB 3.83Å; R139-A142 WeakPolarHBondContact O-CB 3.45Å; R139-A142 PolarHBondContact O-N 3.14Å; R139-A142 VanDerWaalsContact O-N 3.07Å; A142-I144 HydrophobicContact CB-CD1 3.62Å; A142-I144 HydrophobicContact CB-CG1 3.81Å; A142-I144 PolarHBondContact O-N 2.95Å
143K98.8Very high98.1Very high64 Ų6433 Ų3328%0.27817%0.169SC..  trans-78.271.1-178-66-179.870.8-175.20111N118 A119 W120 M121N118-K143 PolarHBondContact O-NZ 3.25Å; A119-K143 WeakPolarHBondContact O-CB 3.5Å; W120-K143 WeakPolarHBondContact CA-O 3.4Å; W120-K143 HydrophobicContact CD2-CB 3.83Å; W120-K143 HydrophobicContact CE3-CB 3.59Å; W120-K143 HydrophobicContact CE3-CG 4.46Å; W120-K143 HydrophobicContact CG-CB 4.38Å; W120-K143 HydrophobicContact CH2-CB 4.36Å; W120-K143 HydrophobicContact CH2-CG 4.44Å; W120-K143 VanDerWaalsContact CZ2-CE 3.42Å; W120-K143 HydrophobicContact CZ3-CB 3.87Å; W120-K143 HydrophobicContact CZ3-CG 4.42Å; W120-K143 VanDerWaalsContact NE1-NZ 3.19Å; M121-K143 PolarHBondContact N-O 3Å
144I98.8Very high98Very high24 Ų2432.8 Ų32.812%0.12317%0.168CC..EExtended strand (participates in β ladder)trans-116129.7-175-51.5165.2000109.7V109 M121 N123 T135 R139 A142V109-I144 HydrophobicContact CB-CD1 4.41Å; V109-I144 HydrophobicContact CG1-CD1 4.02Å; V109-I144 HydrophobicContact CG2-CD1 3.45Å; V109-I144 VanDerWaalsContact CG2-CD1 3.45Å; V109-I144 HydrophobicContact CG2-CG1 4.05Å; M121-I144 HydrophobicContact CB-CG1 4.35Å; M121-I144 HydrophobicContact CB-CG2 4.4Å; M121-I144 HydrophobicContact CG-CG2 4.47Å; M121-I144 HydrophobicContact SD-CG2 4.38Å; N123-I144 HydrophobicContact CB-CG2 4.22Å; T135-I144 HydrophobicContact CG2-CD1 3.85Å; R139-I144 HydrophobicContact CB-CD1 4.42Å; A142-I144 HydrophobicContact CB-CD1 3.62Å; A142-I144 HydrophobicContact CB-CG1 3.81Å; A142-I144 PolarHBondContact O-N 2.95Å
145L98.8Very high97.9Very high7 Ų732.9 Ų32.94%0.03717%0.168CC..EExtended strand (participates in β ladder)trans-115.6108.3173.5-57.6174.1000108.1W120 M121 L122 N123 L304 I308 P346W120-L145 HydrophobicContact CD2-CD1 4.41Å; W120-L145 HydrophobicContact CE3-CD1 3.81Å; W120-L145 HydrophobicContact CE3-CD2 4.13Å; W120-L145 HydrophobicContact CE3-CG 3.71Å; W120-L145 HydrophobicContact CZ3-CD1 4.16Å; W120-L145 HydrophobicContact CZ3-CD2 3.72Å; W120-L145 HydrophobicContact CZ3-CG 3.85Å; M121-L145 PolarHBondContact O-N 3.43Å; L122-L145 HydrophobicContact CD2-CB 4.27Å; L122-L145 HydrophobicContact CD2-CD1 3.83Å; L122-L145 HydrophobicContact CD2-CG 4.46Å; N123-L145 PolarHBondContact N-O 2.98Å; L145-L304 HydrophobicContact CB-CD2 4.07Å; L145-L304 HydrophobicContact CD1-CD1 3.75Å; L145-L304 HydrophobicContact CD1-CD2 4.42Å; L145-L304 HydrophobicContact CD1-CG 4.23Å; L145-I308 HydrophobicContact CD1-CD1 3.6Å; L145-I308 HydrophobicContact CD1-CG1 3.68Å; L145-P346 HydrophobicContact CD2-CG 4.13Å
146N98.7Very high97.8Very high5 Ų534.7 Ų34.73%0.02718%0.181CC..EExtended strand (participates in β ladder)trans-87.7124.5176.3-62.7-64.4000108.9N123 A132 I319N123-N146 PolarHBondContact ND2-OD1 2.8Å; N123-N146 WeakPolarHBondContact O-CA 3.48Å; A132-N146 HydrophobicContact CB-CB 4.22Å; N146-I319 HydrophobicContact CB-CB 3.9Å; N146-I319 HydrophobicContact CB-CD1 4.09Å; N146-I319 HydrophobicContact CB-CG2 4.49Å; N146-I319 PolarHBondContact O-N 2.69Å
147I97.9Very high97.7Very high7 Ų733.4 Ų33.44%0.03618%0.177CC..  trans-139.5153.8-173.8-171.6162.7000111.2N123 Y300 L304 L318N123-I147 PolarHBondContact O-N 3.29Å; I147-Y300 HydrophobicContact CB-CE2 4.48Å; I147-Y300 HydrophobicContact CD1-CD2 3.52Å; I147-Y300 HydrophobicContact CD1-CE2 3.93Å; I147-Y300 HydrophobicContact CG1-CD2 3.93Å; I147-Y300 HydrophobicContact CG1-CE2 3.87Å; I147-Y300 HydrophobicContact CG2-CD2 4.5Å; I147-Y300 HydrophobicContact CG2-CE2 3.83Å; I147-L304 HydrophobicContact CB-CD2 4.21Å; I147-L304 HydrophobicContact CD1-CB 4.39Å; I147-L304 HydrophobicContact CD1-CD2 3.83Å; I147-L304 HydrophobicContact CG2-CD2 3.97Å; I147-L318 HydrophobicContact CB-CD2 3.9Å; I147-L318 HydrophobicContact CD1-CD2 3.72Å; I147-L318 HydrophobicContact CG1-CD2 3.94Å
148C97.7Very high97.6Very high8 Ų830.6 Ų30.65%0.05417%0.166CC..  trans-131.2146.6-179.8-178.20000111.3M150 N178 H179 E336C148-M150 PolarHBondContact SG-N 3.03Å; C148-M150 VanDerWaalsContact SG-N 3.41Å; C148-N178 WeakPolarHBondContact CB-ND2 3.23Å; C148-N178 PolarHBondContact SG-ND2 3.33Å; C148-H179 PolarHBondContact SG-CD2 3.42Å; C148-H179 PolarHBondContact SG-NE2 3.47Å; C148-E336 WeakPolarHBondContact CB-OE1 3.23Å
149D96Very high97.6Very high47 Ų4728.6 Ų28.625%0.25116%0.156SC..SBendtrans-94.9-16.7-177.270.9-33.8000113.1I152 G153 H297 Y300D149-I152 VanDerWaalsContact O-CB 3.31Å; D149-I152 WeakPolarHBondContact O-CB 3.45Å; D149-I152 PolarHBondContact O-N 3.33Å; D149-I152 VanDerWaalsContact O-N 3.08Å; D149-G153 PolarHBondContact O-N 3.29Å; D149-H297 VanDerWaalsContact CB-NE2 3.29Å; D149-H297 WeakPolarHBondContact CB-NE2 3.38Å; D149-H297 VanDerWaalsContact CG-NE2 3.32Å; D149-H297 PolarHBondContact O-CE1 3.43Å; D149-H297 IonicContact OD2-CD2 3.15Å; D149-H297 PolarHBondContact OD2-CD2 2.84Å; D149-H297 IonicContact OD2-CE1 3.79Å; D149-H297 IonicContact OD2-NE2 3.17Å; D149-H297 PolarHBondContact OD2-NE2 3.15Å; D149-Y300 HydrophobicContact CB-CD1 4.23Å; D149-Y300 HydrophobicContact CB-CE1 3.41Å; D149-Y300 VanDerWaalsContact CB-CE1 3.41Å
150M96.8Very high97.4Very high10 Ų1030 Ų305%0.04917%0.165CC..Hα-helixtrans-59.6-44.8-179.8-174.354.351.100113C148 I152 G153 I154 W220 T241 Y242C148-M150 PolarHBondContact SG-N 3.03Å; C148-M150 VanDerWaalsContact SG-N 3.41Å; M150-I152 VanDerWaalsContact C-N 3.26Å; M150-I152 PolarHBondContact O-N 3.36Å; M150-G153 PolarHBondContact O-N 2.99Å; M150-I154 HydrophobicContact CG-CD1 3.79Å; M150-I154 HydrophobicContact CG-CG1 4.49Å; M150-I154 WeakPolarHBondContact O-CG1 3.39Å; M150-I154 PolarHBondContact O-N 3.46Å; M150-I154 HydrophobicContact SD-CD1 3.84Å; M150-I154 HydrophobicContact SD-CG1 4.03Å; M150-W220 HydrophobicContact CE-CH2 3.21Å; M150-W220 HydrophobicContact CE-CZ2 4.04Å; M150-W220 HydrophobicContact CE-CZ3 3.5Å; M150-W220 HydrophobicContact SD-CZ3 4.29Å; M150-T241 PolarHBondContact SD-OG1 2.9Å; M150-Y242 HydrophobicContact CB-CD2 4.37Å; M150-Y242 HydrophobicContact CB-CE2 3.99Å; M150-Y242 HydrophobicContact CE-CD2 4.45Å; M150-Y242 HydrophobicContact CE-CE2 3.63Å; M150-Y242 HydrophobicContact CG-CD2 3.76Å; M150-Y242 HydrophobicContact CG-CE2 3.69Å; M150-Y242 HydrophobicContact SD-CE2 4.27Å
151P98.2Very high97.4Very high2 Ų226.2 Ų26.21%0.01314%0.14CC..Hα-helixtrans-60.1-37.4174-23.234.8000112.6I154 E155 W183 L317P151-I154 PolarHBondContact O-N 3.13Å; P151-E155 WeakPolarHBondContact O-CB 3.41Å; P151-E155 VanDerWaalsContact O-CG 3.26Å; P151-E155 WeakPolarHBondContact O-CG 3.12Å; P151-E155 PolarHBondContact O-N 3.39Å; P151-W183 HydrophobicContact CB-CZ2 3.95Å; P151-L317 HydrophobicContact CB-CD1 3.66Å; P151-L317 HydrophobicContact CG-CD1 4.19Å
152I96.3Very high97.4Very high24 Ų2420 Ų2012%0.12311%0.107CC..Hα-helixtrans-62-49.4177.7-53.4-59.3000110.5D149 M150 I154 E155 S156 Y300D149-I152 VanDerWaalsContact O-CB 3.31Å; D149-I152 WeakPolarHBondContact O-CB 3.45Å; D149-I152 PolarHBondContact O-N 3.33Å; D149-I152 VanDerWaalsContact O-N 3.08Å; M150-I152 VanDerWaalsContact C-N 3.26Å; M150-I152 PolarHBondContact O-N 3.36Å; I152-I154 VanDerWaalsContact C-N 3.32Å; I152-I154 PolarHBondContact O-N 3.08Å; I152-E155 PolarHBondContact O-N 2.8Å; I152-S156 PolarHBondContact O-N 3.2Å; I152-S156 PolarHBondContact O-OG 2.9Å; I152-Y300 HydrophobicContact CG1-CD1 4.29Å; I152-Y300 HydrophobicContact CG1-CG 4.17Å
153G94.6Very high97.3Very high8 Ų822 Ų228%0.08213%0.13CC..Hα-helixtrans-62.7-37.1179.400000113.1D149 M150 R157D149-G153 PolarHBondContact O-N 3.29Å; M150-G153 PolarHBondContact O-N 2.99Å; G153-R157 WeakPolarHBondContact O-CG 3.13Å; G153-R157 PolarHBondContact O-N 3.01Å
154I97.4Very high97.2Very high0 Ų020.9 Ų20.90%013%0.126CC..Hα-helixtrans-70.9-44.3176.3-67.3166.2000110.9M150 P151 I152 S156 R157 M158 W183 Y207 Y224 T241M150-I154 HydrophobicContact CG-CD1 3.79Å; M150-I154 HydrophobicContact CG-CG1 4.49Å; M150-I154 WeakPolarHBondContact O-CG1 3.39Å; M150-I154 PolarHBondContact O-N 3.46Å; M150-I154 HydrophobicContact SD-CD1 3.84Å; M150-I154 HydrophobicContact SD-CG1 4.03Å; P151-I154 PolarHBondContact O-N 3.13Å; I152-I154 VanDerWaalsContact C-N 3.32Å; I152-I154 PolarHBondContact O-N 3.08Å; I154-S156 VanDerWaalsContact C-N 3.34Å; I154-S156 PolarHBondContact O-N 2.84Å; I154-R157 WeakPolarHBondContact O-CB 3.43Å; I154-R157 PolarHBondContact O-N 3.44Å; I154-R157 VanDerWaalsContact O-N 3.13Å; I154-M158 HydrophobicContact CG2-CE 3.38Å; I154-M158 HydrophobicContact CG2-CG 4.42Å; I154-M158 HydrophobicContact CG2-SD 4.17Å; I154-M158 WeakPolarHBondContact O-CG 3.26Å; I154-M158 PolarHBondContact O-N 3.13Å; I154-W183 HydrophobicContact CB-CH2 3.59Å; I154-W183 HydrophobicContact CB-CZ2 4.15Å; I154-W183 HydrophobicContact CB-CZ3 4.35Å; I154-W183 HydrophobicContact CD1-CH2 3.64Å; I154-W183 HydrophobicContact CD1-CZ3 4.16Å; I154-W183 HydrophobicContact CG1-CH2 4.21Å; I154-W183 HydrophobicContact CG2-CH2 3.32Å; I154-W183 HydrophobicContact CG2-CZ2 4Å; I154-W183 HydrophobicContact CG2-CZ3 3.63Å; I154-Y207 HydrophobicContact CG2-CD1 4.23Å; I154-Y207 HydrophobicContact CG2-CD2 4.07Å; I154-Y207 HydrophobicContact CG2-CE1 4.03Å; I154-Y207 HydrophobicContact CG2-CE2 3.85Å; I154-Y207 HydrophobicContact CG2-CG 4.25Å; I154-Y224 HydrophobicContact CG1-CE1 4.16Å; I154-T241 HydrophobicContact CD1-CG2 3.62Å; I154-T241 HydrophobicContact CG1-CG2 3.95Å
155E98.1Very high97Very high2 Ų228 Ų281%0.00916%0.159CC..Hα-helixtrans-63.3-38.2178-75.4174.5-16700112.3P151 I152 R157 M158 A159 R167 M170 V172 W183P151-E155 WeakPolarHBondContact O-CB 3.41Å; P151-E155 VanDerWaalsContact O-CG 3.26Å; P151-E155 WeakPolarHBondContact O-CG 3.12Å; P151-E155 PolarHBondContact O-N 3.39Å; I152-E155 PolarHBondContact O-N 2.8Å; E155-R157 VanDerWaalsContact C-N 3.28Å; E155-R157 PolarHBondContact O-N 2.92Å; E155-M158 HydrophobicContact CG-SD 4.42Å; E155-M158 WeakPolarHBondContact O-CB 3.16Å; E155-M158 PolarHBondContact O-N 3.01Å; E155-A159 PolarHBondContact O-N 3.06Å; E155-R167 HydrophobicContact CB-CB 3.94Å; E155-R167 IonicContact OE2-CZ 4Å; E155-R167 IonicContact OE2-NE 3.62Å; E155-R167 PolarHBondContact OE2-NE 3.3Å; E155-R167 IonicContact OE2-NH2 2.84Å; E155-R167 PolarHBondContact OE2-NH2 2.81Å; E155-M170 HydrophobicContact CB-CE 3.93Å; E155-M170 HydrophobicContact CG-CE 4.39Å; E155-M170 WeakPolarHBondContact O-CE 3.42Å; E155-V172 WeakPolarHBondContact OE1-CG2 3.45Å; E155-W183 HydrophobicContact CG-CZ2 4.08Å; E155-W183 PolarHBondContact OE1-NE1 3.38Å
156S95.5Very high96.8Very high45 Ų4531.4 Ų31.432%0.31518%0.178SC..Hα-helixtrans-60.6-37.9173.6-65.80000112.1I152 I154 A159 Q160I152-S156 PolarHBondContact O-N 3.2Å; I152-S156 PolarHBondContact O-OG 2.9Å; I154-S156 VanDerWaalsContact C-N 3.34Å; I154-S156 PolarHBondContact O-N 2.84Å; S156-A159 PolarHBondContact O-N 2.95Å; S156-Q160 WeakPolarHBondContact O-CG 3.17Å; S156-Q160 PolarHBondContact O-N 2.87Å
157R96Very high96.6Very high22 Ų2232.9 Ų32.98%0.08318%0.183CC..Hα-helixtrans-70.4-38.6173.9-69.5167.2179.1-80.4-9.4112.1G153 I154 E155 A159 Q160 I161 Y207 T216 Y224G153-R157 WeakPolarHBondContact O-CG 3.13Å; G153-R157 PolarHBondContact O-N 3.01Å; I154-R157 WeakPolarHBondContact O-CB 3.43Å; I154-R157 PolarHBondContact O-N 3.44Å; I154-R157 VanDerWaalsContact O-N 3.13Å; E155-R157 VanDerWaalsContact C-N 3.28Å; E155-R157 PolarHBondContact O-N 2.92Å; R157-A159 VanDerWaalsContact C-N 3.32Å; R157-A159 PolarHBondContact O-N 3.11Å; R157-Q160 PolarHBondContact O-N 2.84Å; R157-I161 WeakPolarHBondContact O-CD1 3.34Å; R157-I161 VanDerWaalsContact O-CG1 3.25Å; R157-I161 WeakPolarHBondContact O-CG1 3.45Å; R157-I161 PolarHBondContact O-N 3.5Å; R157-Y207 WeakPolarHBondContact CD-O 3.17Å; R157-T216 PolarHBondContact NH2-OG1 2.93Å; R157-Y224 VanDerWaalsContact NH2-CE2 3.26Å
158M98.1Very high96.6Very high0 Ų036.3 Ų36.30%020%0.197CC..Hα-helixtrans-59-44.9173.2-68.9169.6177.500110.9I154 E155 Q160 I161 V162 M170 W183 I186 L198 Y207 L238I154-M158 HydrophobicContact CG2-CE 3.38Å; I154-M158 HydrophobicContact CG2-CG 4.42Å; I154-M158 HydrophobicContact CG2-SD 4.17Å; I154-M158 WeakPolarHBondContact O-CG 3.26Å; I154-M158 PolarHBondContact O-N 3.13Å; E155-M158 HydrophobicContact CG-SD 4.42Å; E155-M158 WeakPolarHBondContact O-CB 3.16Å; E155-M158 PolarHBondContact O-N 3.01Å; M158-Q160 PolarHBondContact O-N 3.34Å; M158-I161 WeakPolarHBondContact O-CB 3.37Å; M158-I161 PolarHBondContact O-N 3.45Å; M158-I161 VanDerWaalsContact O-N 3.12Å; M158-V162 WeakPolarHBondContact O-CG2 3.23Å; M158-V162 PolarHBondContact O-N 3.04Å; M158-M170 HydrophobicContact CB-CE 4.01Å; M158-M170 HydrophobicContact CB-SD 4.27Å; M158-W183 HydrophobicContact CE-CD2 3.84Å; M158-W183 HydrophobicContact CE-CE3 3.57Å; M158-W183 HydrophobicContact CE-CG 4.48Å; M158-W183 HydrophobicContact CE-CH2 4.28Å; M158-W183 HydrophobicContact CE-CZ2 4.46Å; M158-W183 HydrophobicContact CE-CZ3 3.81Å; M158-I186 HydrophobicContact CE-CD1 4.2Å; M158-I186 HydrophobicContact SD-CD1 3.67Å; M158-L198 HydrophobicContact CB-CD1 4.33Å; M158-L198 HydrophobicContact CB-CD2 3.8Å; M158-L198 HydrophobicContact CG-CD1 4.44Å; M158-L198 HydrophobicContact CG-CD2 3.95Å; M158-Y207 HydrophobicContact CE-CD1 4.35Å; M158-Y207 HydrophobicContact CE-CE1 3.42Å; M158-Y207 VanDerWaalsContact CE-CE1 3.42Å; M158-Y207 WeakPolarHBondContact CE-OH 3.43Å; M158-Y207 HydrophobicContact CG-CD1 4.38Å; M158-Y207 HydrophobicContact CG-CE1 4.21Å; M158-L238 HydrophobicContact CE-CB 4.03Å; M158-L238 HydrophobicContact CE-CD1 3.77Å; M158-L238 HydrophobicContact SD-CD1 4.43Å
159A97.4Very high96.6Very high3 Ų339.5 Ų39.53%0.02521%0.211CC..Hα-helixtrans-56.3-47.6175.800000111.8E155 S156 R157 I161 V162 G163 L164 M170E155-A159 PolarHBondContact O-N 3.06Å; S156-A159 PolarHBondContact O-N 2.95Å; R157-A159 VanDerWaalsContact C-N 3.32Å; R157-A159 PolarHBondContact O-N 3.11Å; A159-I161 VanDerWaalsContact C-N 3.33Å; A159-I161 PolarHBondContact O-N 2.83Å; A159-V162 WeakPolarHBondContact O-CG2 3.26Å; A159-V162 PolarHBondContact O-N 2.89Å; A159-G163 PolarHBondContact O-N 3.17Å; A159-L164 HydrophobicContact CB-CB 4.1Å; A159-L164 PolarHBondContact O-N 3.42Å; A159-M170 HydrophobicContact CB-CE 4.25Å
160Q96.3Very high96.7Very high95 Ų9538 Ų3844%0.44420%0.203SC..Hα-helixtrans-60.9-39.7175.8-67.7175.818.100112.7S156 R157 M158 V162 G163 P209S156-Q160 WeakPolarHBondContact O-CG 3.17Å; S156-Q160 PolarHBondContact O-N 2.87Å; R157-Q160 PolarHBondContact O-N 2.84Å; M158-Q160 PolarHBondContact O-N 3.34Å; Q160-V162 VanDerWaalsContact C-N 3.33Å; Q160-V162 PolarHBondContact O-N 2.96Å; Q160-G163 PolarHBondContact O-N 3.46Å; Q160-P209 HydrophobicContact CB-CB 4.01Å; Q160-P209 VanDerWaalsContact OE1-CB 3.28Å; Q160-P209 VanDerWaalsContact OE1-CG 3.3Å
161I97.9Very high96.8Very high11 Ų1142.3 Ų42.36%0.05622%0.219CC..Hα-helixtrans-64-38.2178.1-70.8162.7000111.6R157 M158 A159 Q197 L198 Y201R157-I161 WeakPolarHBondContact O-CD1 3.34Å; R157-I161 VanDerWaalsContact O-CG1 3.25Å; R157-I161 WeakPolarHBondContact O-CG1 3.45Å; R157-I161 PolarHBondContact O-N 3.5Å; M158-I161 WeakPolarHBondContact O-CB 3.37Å; M158-I161 PolarHBondContact O-N 3.45Å; M158-I161 VanDerWaalsContact O-N 3.12Å; A159-I161 VanDerWaalsContact C-N 3.33Å; A159-I161 PolarHBondContact O-N 2.83Å; I161-Q197 PolarHBondContact O-NE2 3.38Å; I161-L198 HydrophobicContact CB-CD2 4.17Å; I161-L198 HydrophobicContact CG2-CD2 3.91Å; I161-Y201 HydrophobicContact CB-CD1 4.38Å; I161-Y201 HydrophobicContact CD1-CD1 3.75Å; I161-Y201 HydrophobicContact CD1-CE1 3.84Å; I161-Y201 HydrophobicContact CG1-CD1 3.83Å; I161-Y201 HydrophobicContact CG1-CE1 3.73Å; I161-Y201 HydrophobicContact CG1-CG 4.48Å; I161-Y201 HydrophobicContact CG2-CD1 3.61Å; I161-Y201 HydrophobicContact CG2-CD2 3.98Å; I161-Y201 HydrophobicContact CG2-CE1 4.24Å; I161-Y201 HydrophobicContact CG2-CG 3.46Å; I161-Y201 VanDerWaalsContact CG2-CG 3.46Å
162V97.9Very high96.8Very high20 Ų2042.8 Ų42.812%0.12122%0.222CC..Hα-helixtrans-89.1-4.7179.4-60.20000114.2M158 A159 Q160 L164 L194 Q197 L198M158-V162 WeakPolarHBondContact O-CG2 3.23Å; M158-V162 PolarHBondContact O-N 3.04Å; A159-V162 WeakPolarHBondContact O-CG2 3.26Å; A159-V162 PolarHBondContact O-N 2.89Å; Q160-V162 VanDerWaalsContact C-N 3.33Å; Q160-V162 PolarHBondContact O-N 2.96Å; V162-L164 HydrophobicContact CG2-CB 4.2Å; V162-L164 HydrophobicContact CG2-CD1 3.76Å; V162-L164 HydrophobicContact CG2-CG 3.73Å; V162-L194 HydrophobicContact CG1-CB 4.41Å; V162-L194 HydrophobicContact CG2-CD1 4.3Å; V162-Q197 HydrophobicContact CG1-CG 4.24Å; V162-L198 HydrophobicContact CG1-CD1 4.29Å; V162-L198 HydrophobicContact CG1-CD2 3.71Å; V162-L198 HydrophobicContact CG1-CG 3.63Å
163G96.6Very high97Very high58 Ų5846.1 Ų46.160%0.59823%0.233SC*.THydrogen-bonded Turntrans81.419.2179.700000114.5A159 Q160A159-G163 PolarHBondContact O-N 3.17Å; Q160-G163 PolarHBondContact O-N 3.46Å
164L97.2Very high97.2Very high40 Ų4045.9 Ų45.921%0.20923%0.23CC..  trans-82149.9170.1-66.8176.4000110.3A159 V162 Q169 M170 L194A159-L164 HydrophobicContact CB-CB 4.1Å; A159-L164 PolarHBondContact O-N 3.42Å; V162-L164 HydrophobicContact CG2-CB 4.2Å; V162-L164 HydrophobicContact CG2-CD1 3.76Å; V162-L164 HydrophobicContact CG2-CG 3.73Å; L164-Q169 HydrophobicContact CB-CB 4.44Å; L164-Q169 HydrophobicContact CD1-CB 4.09Å; L164-Q169 HydrophobicContact CD2-CB 4.25Å; L164-Q169 HydrophobicContact CG-CB 4.5Å; L164-M170 HydrophobicContact CD1-CG 3.55Å; L164-M170 HydrophobicContact CD1-SD 4.4Å; L164-L194 HydrophobicContact CD1-CD1 3.9Å
165Q93.7Very high97.2Very high174 Ų17446.2 Ų46.281%0.81323%0.231SC*.SBendtrans-76.9-32-178.4-66.7-63.2-57.200112.1
166D93.7Very high97.3Very high79 Ų7946.1 Ų46.142%0.42223%0.231SC..  trans-146.9145.8-174-169.6-74.2000110.8K168 Q169D166-K168 PolarHBondContact O-N 3.43Å; D166-K168 WeakPolarHBondContact OD1-CA 3.34Å; D166-K168 WeakPolarHBondContact OD1-CB 3.5Å; D166-K168 VanDerWaalsContact OD1-CG 3.29Å; D166-K168 WeakPolarHBondContact OD1-CG 3.47Å; D166-K168 PolarHBondContact OD1-N 3.41Å; D166-Q169 VanDerWaalsContact O-CB 3.3Å; D166-Q169 WeakPolarHBondContact O-CB 3.45Å; D166-Q169 PolarHBondContact O-N 2.88Å
167R96.4Very high97.4Very high36 Ų3644 Ų4414%0.13622%0.216CC..G310 helixtrans-60.2-27.4176.658.5160.8-69.6-80.7-1.1113.9E155 Q169 M170E155-R167 HydrophobicContact CB-CB 3.94Å; E155-R167 IonicContact OE2-CZ 4Å; E155-R167 IonicContact OE2-NE 3.62Å; E155-R167 PolarHBondContact OE2-NE 3.3Å; E155-R167 IonicContact OE2-NH2 2.84Å; E155-R167 PolarHBondContact OE2-NH2 2.81Å; R167-Q169 PolarHBondContact O-N 3.39Å; R167-M170 HydrophobicContact CB-CE 4.06Å; R167-M170 WeakPolarHBondContact O-CB 3.44Å; R167-M170 PolarHBondContact O-N 3.12Å
168K96.3Very high97.6Very high78 Ų7843.3 Ų43.334%0.33921%0.214SC..G310 helixtrans-67.7-9.3175.2-63.2-169.3-178.4-146.70112.9D166 D303 E314D166-K168 PolarHBondContact O-N 3.43Å; D166-K168 WeakPolarHBondContact OD1-CA 3.34Å; D166-K168 WeakPolarHBondContact OD1-CB 3.5Å; D166-K168 VanDerWaalsContact OD1-CG 3.29Å; D166-K168 WeakPolarHBondContact OD1-CG 3.47Å; D166-K168 PolarHBondContact OD1-N 3.41Å; K168-D303 VanDerWaalsContact CE-OD2 3.23Å; K168-D303 WeakPolarHBondContact CE-OD2 3.43Å; K168-D303 IonicContact NZ-OD1 3.56Å; K168-D303 PolarHBondContact NZ-OD1 2.78Å; K168-D303 IonicContact NZ-OD2 4Å; K168-D303 PolarHBondContact NZ-OD2 3.22Å; K168-E314 IonicContact NZ-OE1 3.5Å; K168-E314 PolarHBondContact NZ-OE1 3.07Å
169Q98.2Very high97.6Very high75 Ų7543.6 Ų43.635%0.3522%0.215SC..G310 helixtrans-79.5-3.7167-60-177.3-3500112.6L164 D166 R167 D188 L189L164-Q169 HydrophobicContact CB-CB 4.44Å; L164-Q169 HydrophobicContact CD1-CB 4.09Å; L164-Q169 HydrophobicContact CD2-CB 4.25Å; L164-Q169 HydrophobicContact CG-CB 4.5Å; D166-Q169 VanDerWaalsContact O-CB 3.3Å; D166-Q169 WeakPolarHBondContact O-CB 3.45Å; D166-Q169 PolarHBondContact O-N 2.88Å; R167-Q169 PolarHBondContact O-N 3.39Å; Q169-D188 WeakPolarHBondContact O-CA 3.49Å; Q169-L189 PolarHBondContact O-N 2.95Å
170M98.7Very high97.7Very high16 Ų1643.6 Ų43.68%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-105.2149.4172.6-55.8-173.1-66.500111.5E155 M158 A159 L164 R167 V172 I186 E187 L194E155-M170 HydrophobicContact CB-CE 3.93Å; E155-M170 HydrophobicContact CG-CE 4.39Å; E155-M170 WeakPolarHBondContact O-CE 3.42Å; M158-M170 HydrophobicContact CB-CE 4.01Å; M158-M170 HydrophobicContact CB-SD 4.27Å; A159-M170 HydrophobicContact CB-CE 4.25Å; L164-M170 HydrophobicContact CD1-CG 3.55Å; L164-M170 HydrophobicContact CD1-SD 4.4Å; R167-M170 HydrophobicContact CB-CE 4.06Å; R167-M170 WeakPolarHBondContact O-CB 3.44Å; R167-M170 PolarHBondContact O-N 3.12Å; M170-V172 HydrophobicContact CB-CG1 4.38Å; M170-I186 HydrophobicContact CB-CG2 4.38Å; M170-I186 HydrophobicContact CG-CG2 4.39Å; M170-I186 HydrophobicContact SD-CG2 3.64Å; M170-E187 CarbonylContact C-O 3.59Å; M170-E187 WeakPolarHBondContact CA-O 3.47Å; M170-L194 HydrophobicContact CG-CD1 4Å; M170-L194 HydrophobicContact SD-CD1 4.24Å
171R98.7Very high97.8Very high100 Ų10039.1 Ų39.138%0.37719%0.193SC..EExtended strand (participates in β ladder)trans-118.5125.1166.5-172-176.5-58119.54.3108.2E187 L189R171-E187 PolarHBondContact N-O 3.38Å; R171-E187 PolarHBondContact O-N 2.87Å; R171-L189 PolarHBondContact NH2-O 3Å
172V98.8Very high97.9Very high13 Ų1338.7 Ų38.78%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-122.9145.8-171.8-54.80000114E155 M170 S185 I186 R315E155-V172 WeakPolarHBondContact OE1-CG2 3.45Å; M170-V172 HydrophobicContact CB-CG1 4.38Å; V172-S185 CarbonylContact C-O 3.47Å; V172-S185 VanDerWaalsContact CA-O 3.25Å; V172-S185 WeakPolarHBondContact CA-O 3.49Å; V172-I186 HydrophobicContact CG1-CB 4.34Å; V172-I186 HydrophobicContact CG1-CG1 4Å; V172-I186 HydrophobicContact CG1-CG2 4.07Å; V172-R315 VanDerWaalsContact O-CZ 3.31Å; V172-R315 PolarHBondContact O-NE 3.08Å; V172-R315 PolarHBondContact O-NH2 3.34Å
173R98.9Very high97.9Very high94 Ų9437.8 Ų37.836%0.35519%0.185SC..EExtended strand (participates in β ladder)trans-103.6135.1159.6-69177.560.579-1.4108.8W183 T184 S185 V350 V351R173-W183 CarbonylContact O-C 3.28Å; R173-W183 WeakPolarHBondContact O-CA 3.26Å; R173-T184 VanDerWaalsContact CB-OG1 3.3Å; R173-T184 WeakPolarHBondContact CB-OG1 3.5Å; R173-T184 PolarHBondContact O-N 3.49Å; R173-T184 PolarHBondContact O-OG1 3.25Å; R173-S185 PolarHBondContact N-O 3.47Å; R173-V350 PolarHBondContact NH1-O 2.91Å; R173-V350 PolarHBondContact NH2-O 3.5Å; R173-V351 PolarHBondContact NH2-O 3.39Å
174Y98.9Very high98Very high3 Ų337.4 Ų37.41%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-145151.8-176.9176.4-90.1000109.1G181 W182 W183 N240 L317 E336 P338Y174-G181 WeakPolarHBondContact OH-CA 3.24Å; Y174-W182 VanDerWaalsContact CA-O 3.3Å; Y174-W182 WeakPolarHBondContact CA-O 3.44Å; Y174-W182 VanDerWaalsContact CD2-O 3.31Å; Y174-W182 WeakPolarHBondContact CD2-O 3.3Å; Y174-W183 AromaticContact CD2-CD1 3.9Å; Y174-W183 AromaticContact CD2-CD2 3.73Å; Y174-W183 HydrophobicContact CD2-CD2 3.73Å; Y174-W183 AromaticContact CD2-CE2 3.78Å; Y174-W183 HydrophobicContact CD2-CE3 4.29Å; Y174-W183 AromaticContact CD2-CG 3.83Å; Y174-W183 HydrophobicContact CD2-CG 3.83Å; Y174-W183 HydrophobicContact CD2-CZ2 4.35Å; Y174-W183 AromaticContact CD2-NE1 3.9Å; Y174-W183 HydrophobicContact CE2-CD2 4.12Å; Y174-W183 HydrophobicContact CE2-CE3 4.29Å; Y174-W183 HydrophobicContact CE2-CH2 4.37Å; Y174-W183 HydrophobicContact CE2-CZ2 4.27Å; Y174-W183 HydrophobicContact CE2-CZ3 4.41Å; Y174-N240 PolarHBondContact OH-ND2 3.1Å; Y174-L317 HydrophobicContact CD1-CD1 3.81Å; Y174-L317 HydrophobicContact CD1-CD2 4.18Å; Y174-L317 HydrophobicContact CD2-CD1 4.28Å; Y174-L317 HydrophobicContact CE1-CD1 4.28Å; Y174-L317 HydrophobicContact CG-CD1 3.79Å; Y174-L317 HydrophobicContact CG-CD2 4.29Å; Y174-E336 HydrophobicContact CD1-CG 4.46Å; Y174-E336 VanDerWaalsContact CD1-O 3.24Å; Y174-E336 WeakPolarHBondContact CD1-O 3.19Å; Y174-E336 HydrophobicContact CE1-CB 3.99Å; Y174-E336 HydrophobicContact CE1-CG 3.77Å; Y174-E336 WeakPolarHBondContact CE1-O 3.48Å; Y174-E336 VanDerWaalsContact CE1-OE2 3.28Å; Y174-E336 WeakPolarHBondContact CE1-OE2 3.49Å; Y174-E336 PolarHBondContact OH-OE2 3.3Å; Y174-P338 WeakPolarHBondContact O-CD 3.32Å
175Y98.9Very high98.1Very high7 Ų736.6 Ų36.63%0.02717%0.169CC..EExtended strand (participates in β ladder)trans-148.3154.2165.468.9-96.4000110.4G181 W182 T184 V351 I354 P355 Q358 M362Y175-G181 CarbonylContact O-C 3.59Å; Y175-G181 WeakPolarHBondContact O-CA 3.45Å; Y175-W182 HydrophobicContact CD2-CE3 4.28Å; Y175-W182 AromaticContact CE2-CE3 3.72Å; Y175-W182 HydrophobicContact CE2-CE3 3.72Å; Y175-W182 HydrophobicContact CE2-CZ3 4.23Å; Y175-W182 PolarHBondContact N-O 3.46Å; Y175-W182 VanDerWaalsContact N-O 3.08Å; Y175-W182 PolarHBondContact O-N 3.34Å; Y175-T184 HydrophobicContact CD1-CG2 3.74Å; Y175-T184 HydrophobicContact CE1-CG2 3.39Å; Y175-V351 HydrophobicContact CD1-CG1 3.89Å; Y175-V351 HydrophobicContact CG-CG1 4.03Å; Y175-I354 HydrophobicContact CD1-CG2 3.83Å; Y175-I354 HydrophobicContact CD2-CB 4.37Å; Y175-I354 HydrophobicContact CD2-CD1 4.42Å; Y175-I354 HydrophobicContact CD2-CG2 3.55Å; Y175-I354 HydrophobicContact CE1-CB 4.49Å; Y175-I354 HydrophobicContact CE1-CG2 3.76Å; Y175-I354 HydrophobicContact CE2-CB 3.88Å; Y175-I354 HydrophobicContact CE2-CD1 4.15Å; Y175-I354 HydrophobicContact CE2-CG2 3.51Å; Y175-I354 HydrophobicContact CG-CG2 3.73Å; Y175-P355 WeakPolarHBondContact OH-CD 3.36Å; Y175-Q358 HydrophobicContact CE2-CB 3.78Å; Y175-Q358 HydrophobicContact CE2-CG 4.07Å; Y175-Q358 WeakPolarHBondContact OH-CB 3.46Å; Y175-Q358 VanDerWaalsContact OH-CD 3.25Å; Y175-Q358 WeakPolarHBondContact OH-CG 3.33Å; Y175-Q358 PolarHBondContact OH-NE2 3.31Å; Y175-M362 HydrophobicContact CD2-CE 4.46Å; Y175-M362 HydrophobicContact CD2-SD 3.89Å; Y175-M362 HydrophobicContact CE2-SD 3.96Å
176G98.9Very high98.3Very high0 Ų028.3 Ų28.30%013%0.13CC..EExtended strand (participates in β ladder)trans166.4-169.1175.400000112.3F180 V335 E336G176-F180 CarbonylContact C-O 3.54Å; G176-F180 WeakPolarHBondContact CA-O 3.44Å; G176-V335 CarbonylContact O-C 3.57Å; G176-V335 WeakPolarHBondContact O-CA 3.43Å; G176-V335 WeakPolarHBondContact O-CB 3.44Å; G176-E336 PolarHBondContact N-O 2.87Å; G176-E336 PolarHBondContact O-N 3.49Å
177L98.9Very high98.6Very high1 Ų127.5 Ų27.51%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-94.6170.4155.8-43.7171.5000107.6H179 F180 F329 M334 V335 M362 Q365 V366L177-H179 PolarHBondContact O-N 2.94Å; L177-F180 HydrophobicContact CB-CB 4.05Å; L177-F180 PolarHBondContact N-O 2.97Å; L177-F180 CarbonylContact O-C 3.53Å; L177-F180 VanDerWaalsContact O-C 3.3Å; L177-F180 PolarHBondContact O-N 3.25Å; L177-F329 HydrophobicContact CD2-CE1 4.17Å; L177-F329 HydrophobicContact CD2-CZ 4.42Å; L177-M334 WeakPolarHBondContact CD2-O 3.34Å; L177-V335 HydrophobicContact CD2-CG1 4.34Å; L177-M362 HydrophobicContact CD2-CE 4.24Å; L177-M362 HydrophobicContact CG-CE 4.45Å; L177-M362 HydrophobicContact CG-CG 4.48Å; L177-Q365 HydrophobicContact CD1-CB 3.92Å; L177-Q365 HydrophobicContact CD1-CG 3.78Å; L177-V366 HydrophobicContact CD1-CB 3.92Å; L177-V366 HydrophobicContact CD2-CB 4.24Å; L177-V366 HydrophobicContact CD2-CG2 4.3Å
178N98.9Very high98.7Very high7 Ų726.7 Ų26.74%0.03712%0.123CC..THydrogen-bonded Turntrans-58.3136.8170.8173.5-113.1000110.8A129 C148 F180 I319 E336A129-N178 HydrophobicContact CB-CB 4.12Å; C148-N178 WeakPolarHBondContact CB-ND2 3.23Å; C148-N178 PolarHBondContact SG-ND2 3.33Å; N178-F180 PolarHBondContact O-N 3.33Å; N178-F180 VanDerWaalsContact O-N 3.12Å; N178-I319 HydrophobicContact CB-CD1 3.59Å; N178-I319 HydrophobicContact CB-CG1 4.05Å; N178-E336 PolarHBondContact ND2-OE1 3.46Å
179H98.8Very high98.8Very high5 Ų527 Ų272%0.02313%0.128CC..THydrogen-bonded Turntrans57.918.8-173.7-65.7178.6000114T89 C148 L177 Y242T89-H179 PolarHBondContact OG1-CE1 3.24Å; T89-H179 PolarHBondContact OG1-ND1 3.29Å; C148-H179 PolarHBondContact SG-CD2 3.42Å; C148-H179 PolarHBondContact SG-NE2 3.47Å; L177-H179 PolarHBondContact O-N 2.94Å; H179-Y242 HydrophobicContact CB-CD1 4.14Å; H179-Y242 HydrophobicContact CB-CD2 3.71Å; H179-Y242 HydrophobicContact CB-CE2 4.28Å; H179-Y242 HydrophobicContact CB-CG 3.64Å; H179-Y242 AromaticContact CD2-CD2 3.59Å; H179-Y242 AromaticContact CD2-CE2 3.39Å; H179-Y242 WeakPolarHBondContact CD2-CE2 3.47Å; H179-Y242 AromaticContact CE1-CE1 3.93Å; H179-Y242 AromaticContact CE1-CE2 3.51Å; H179-Y242 AromaticContact CE1-CZ 3.33Å; H179-Y242 PolarHBondContact CE1-OH 3.12Å; H179-Y242 AromaticContact CG-CD2 3.48Å; H179-Y242 VanDerWaalsContact CG-CD2 3.48Å; H179-Y242 AromaticContact CG-CE2 3.53Å; H179-Y242 AromaticContact CG-CG 3.78Å; H179-Y242 AromaticContact CG-CZ 3.89Å; H179-Y242 AromaticContact ND1-CD1 3.91Å; H179-Y242 AromaticContact ND1-CD2 3.91Å; H179-Y242 AromaticContact ND1-CE1 3.61Å; H179-Y242 AromaticContact ND1-CE2 3.59Å; H179-Y242 AromaticContact ND1-CZ 3.44Å; H179-Y242 AromaticContact NE2-CE2 3.37Å; H179-Y242 WeakPolarHBondContact NE2-CE2 3.31Å; H179-Y242 AromaticContact NE2-CZ 3.68Å; H179-Y242 WeakPolarHBondContact O-CB 3.35Å
180F98.9Very high98.7Very high4 Ų430.8 Ų30.82%0.01815%0.145CC..EExtended strand (participates in β ladder)trans-155.468.2-173-155.3-78.5000111.5G176 L177 N178 W182 L243 Y246 L361 M362 Q365G176-F180 CarbonylContact C-O 3.54Å; G176-F180 WeakPolarHBondContact CA-O 3.44Å; L177-F180 HydrophobicContact CB-CB 4.05Å; L177-F180 PolarHBondContact N-O 2.97Å; L177-F180 CarbonylContact O-C 3.53Å; L177-F180 VanDerWaalsContact O-C 3.3Å; L177-F180 PolarHBondContact O-N 3.25Å; N178-F180 PolarHBondContact O-N 3.33Å; N178-F180 VanDerWaalsContact O-N 3.12Å; F180-W182 AromaticContact CD1-CH2 3.86Å; F180-W182 HydrophobicContact CD1-CH2 3.86Å; F180-W182 HydrophobicContact CD1-CZ3 4.17Å; F180-W182 AromaticContact CE1-CH2 3.67Å; F180-W182 HydrophobicContact CE1-CH2 3.67Å; F180-W182 HydrophobicContact CE1-CZ3 4.36Å; F180-L243 HydrophobicContact CD1-CD2 3.8Å; F180-L243 HydrophobicContact CD2-CD2 3.8Å; F180-L243 HydrophobicContact CE1-CD2 3.78Å; F180-L243 HydrophobicContact CE2-CD2 3.79Å; F180-L243 HydrophobicContact CG-CD2 3.81Å; F180-L243 HydrophobicContact CZ-CD2 3.77Å; F180-Y246 HydrophobicContact CD2-CD1 4.43Å; F180-Y246 AromaticContact CD2-CD2 3.59Å; F180-Y246 HydrophobicContact CD2-CD2 3.59Å; F180-Y246 HydrophobicContact CD2-CE1 4.39Å; F180-Y246 AromaticContact CD2-CE2 3.54Å; F180-Y246 HydrophobicContact CD2-CE2 3.54Å; F180-Y246 HydrophobicContact CD2-CG 4.05Å; F180-Y246 AromaticContact CD2-CZ 3.96Å; F180-Y246 AromaticContact CE2-CD1 3.79Å; F180-Y246 HydrophobicContact CE2-CD1 3.79Å; F180-Y246 AromaticContact CE2-CD2 3.48Å; F180-Y246 HydrophobicContact CE2-CD2 3.48Å; F180-Y246 VanDerWaalsContact CE2-CD2 3.48Å; F180-Y246 HydrophobicContact CE2-CE1 4.12Å; F180-Y246 AromaticContact CE2-CE2 3.84Å; F180-Y246 HydrophobicContact CE2-CE2 3.84Å; F180-Y246 AromaticContact CE2-CG 3.45Å; F180-Y246 HydrophobicContact CE2-CG 3.45Å; F180-Y246 VanDerWaalsContact CE2-CG 3.45Å; F180-L361 HydrophobicContact CE1-CB 3.65Å; F180-L361 HydrophobicContact CZ-CB 3.75Å; F180-M362 HydrophobicContact CD1-CG 3.99Å; F180-M362 HydrophobicContact CE1-CG 4.08Å; F180-Q365 HydrophobicContact CD2-CB 4.44Å; F180-Q365 HydrophobicContact CD2-CG 4.01Å; F180-Q365 HydrophobicContact CE2-CB 4.14Å; F180-Q365 HydrophobicContact CE2-CG 4.11Å; F180-Q365 HydrophobicContact CG-CG 4.43Å; F180-Q365 HydrophobicContact CZ-CB 4.22Å
181G98.9Very high98.7Very high0 Ų031.8 Ų31.80%016%0.16CC..EExtended strand (participates in β ladder)trans-151.2-179.9-175.800000115.4Y174 Y175 N240 L243Y174-G181 WeakPolarHBondContact OH-CA 3.24Å; Y175-G181 CarbonylContact O-C 3.59Å; Y175-G181 WeakPolarHBondContact O-CA 3.45Å; G181-N240 WeakPolarHBondContact O-CB 3.32Å; G181-N240 PolarHBondContact O-N 2.91Å; G181-L243 WeakPolarHBondContact O-CD1 3.4Å
182W98.9Very high98.7Very high3 Ų331.5 Ų31.51%0.01117%0.166CC..EExtended strand (participates in β ladder)trans-141.6135.2-174.2-60.9-95.5000111.8Y174 Y175 F180 T237 L238 L243 Q358 L361 M362Y174-W182 VanDerWaalsContact CA-O 3.3Å; Y174-W182 WeakPolarHBondContact CA-O 3.44Å; Y174-W182 VanDerWaalsContact CD2-O 3.31Å; Y174-W182 WeakPolarHBondContact CD2-O 3.3Å; Y175-W182 HydrophobicContact CD2-CE3 4.28Å; Y175-W182 AromaticContact CE2-CE3 3.72Å; Y175-W182 HydrophobicContact CE2-CE3 3.72Å; Y175-W182 HydrophobicContact CE2-CZ3 4.23Å; Y175-W182 PolarHBondContact N-O 3.46Å; Y175-W182 VanDerWaalsContact N-O 3.08Å; Y175-W182 PolarHBondContact O-N 3.34Å; F180-W182 AromaticContact CD1-CH2 3.86Å; F180-W182 HydrophobicContact CD1-CH2 3.86Å; F180-W182 HydrophobicContact CD1-CZ3 4.17Å; F180-W182 AromaticContact CE1-CH2 3.67Å; F180-W182 HydrophobicContact CE1-CH2 3.67Å; F180-W182 HydrophobicContact CE1-CZ3 4.36Å; W182-T237 HydrophobicContact CB-CG2 4.4Å; W182-L238 CarbonylContact C-O 3.58Å; W182-L238 VanDerWaalsContact CA-O 3.22Å; W182-L238 WeakPolarHBondContact CA-O 3.31Å; W182-L243 HydrophobicContact CD2-CD1 4.14Å; W182-L243 VanDerWaalsContact CE2-CD1 3.42Å; W182-L243 HydrophobicContact CH2-CD1 4.34Å; W182-L243 HydrophobicContact CH2-CD2 4.05Å; W182-L243 HydrophobicContact CZ2-CD1 3.55Å; W182-L243 HydrophobicContact CZ2-CD2 3.75Å; W182-L243 HydrophobicContact CZ2-CG 4.33Å; W182-Q358 HydrophobicContact CD2-CB 4.49Å; W182-Q358 HydrophobicContact CD2-CG 3.53Å; W182-Q358 HydrophobicContact CE3-CB 4.01Å; W182-Q358 HydrophobicContact CE3-CG 3.53Å; W182-Q358 HydrophobicContact CG-CG 4.26Å; W182-Q358 HydrophobicContact CH2-CB 3.88Å; W182-Q358 HydrophobicContact CH2-CG 3.67Å; W182-Q358 HydrophobicContact CZ2-CB 4.36Å; W182-Q358 HydrophobicContact CZ2-CG 3.65Å; W182-Q358 HydrophobicContact CZ3-CB 3.71Å; W182-Q358 HydrophobicContact CZ3-CG 3.61Å; W182-L361 HydrophobicContact CH2-CB 4.43Å; W182-L361 HydrophobicContact CH2-CD1 4.22Å; W182-L361 HydrophobicContact CZ2-CD1 4Å; W182-M362 HydrophobicContact CH2-CG 4.29Å; W182-M362 HydrophobicContact CZ3-CG 3.84Å; W182-M362 HydrophobicContact CZ3-SD 3.79Å
183W98.9Very high98.7Very high0 Ų035.3 Ų35.30%019%0.186CC..EExtended strand (participates in β ladder)trans-78.9135.3164.3-63-92.9000109.9P151 I154 E155 M158 R173 Y174 I186 T237 L238 P239P151-W183 HydrophobicContact CB-CZ2 3.95Å; I154-W183 HydrophobicContact CB-CH2 3.59Å; I154-W183 HydrophobicContact CB-CZ2 4.15Å; I154-W183 HydrophobicContact CB-CZ3 4.35Å; I154-W183 HydrophobicContact CD1-CH2 3.64Å; I154-W183 HydrophobicContact CD1-CZ3 4.16Å; I154-W183 HydrophobicContact CG1-CH2 4.21Å; I154-W183 HydrophobicContact CG2-CH2 3.32Å; I154-W183 HydrophobicContact CG2-CZ2 4Å; I154-W183 HydrophobicContact CG2-CZ3 3.63Å; E155-W183 HydrophobicContact CG-CZ2 4.08Å; E155-W183 PolarHBondContact OE1-NE1 3.38Å; M158-W183 HydrophobicContact CE-CD2 3.84Å; M158-W183 HydrophobicContact CE-CE3 3.57Å; M158-W183 HydrophobicContact CE-CG 4.48Å; M158-W183 HydrophobicContact CE-CH2 4.28Å; M158-W183 HydrophobicContact CE-CZ2 4.46Å; M158-W183 HydrophobicContact CE-CZ3 3.81Å; R173-W183 CarbonylContact O-C 3.28Å; R173-W183 WeakPolarHBondContact O-CA 3.26Å; Y174-W183 AromaticContact CD2-CD1 3.9Å; Y174-W183 AromaticContact CD2-CD2 3.73Å; Y174-W183 HydrophobicContact CD2-CD2 3.73Å; Y174-W183 AromaticContact CD2-CE2 3.78Å; Y174-W183 HydrophobicContact CD2-CE3 4.29Å; Y174-W183 AromaticContact CD2-CG 3.83Å; Y174-W183 HydrophobicContact CD2-CG 3.83Å; Y174-W183 HydrophobicContact CD2-CZ2 4.35Å; Y174-W183 AromaticContact CD2-NE1 3.9Å; Y174-W183 HydrophobicContact CE2-CD2 4.12Å; Y174-W183 HydrophobicContact CE2-CE3 4.29Å; Y174-W183 HydrophobicContact CE2-CH2 4.37Å; Y174-W183 HydrophobicContact CE2-CZ2 4.27Å; Y174-W183 HydrophobicContact CE2-CZ3 4.41Å; W183-I186 HydrophobicContact CB-CD1 3.91Å; W183-I186 HydrophobicContact CB-CG1 4.07Å; W183-I186 HydrophobicContact CG-CD1 4.18Å; W183-I186 HydrophobicContact CG-CG1 4.49Å; W183-T237 WeakPolarHBondContact O-CA 3.24Å; W183-T237 WeakPolarHBondContact O-CB 3.38Å; W183-L238 HydrophobicContact CB-CB 4.29Å; W183-L238 HydrophobicContact CE3-CB 4.19Å; W183-L238 PolarHBondContact N-O 3.47Å; W183-L238 PolarHBondContact O-N 3.1Å; W183-L238 VanDerWaalsContact O-N 3.09Å; W183-P239 WeakPolarHBondContact CZ3-O 3.26Å
184T98.8Very high98.7Very high51 Ų5131.8 Ų31.831%0.31317%0.173SC..EExtended strand (participates in β ladder)trans-115.5-22.6-177.354.70000114.1R173 Y175 T237R173-T184 VanDerWaalsContact CB-OG1 3.3Å; R173-T184 WeakPolarHBondContact CB-OG1 3.5Å; R173-T184 PolarHBondContact O-N 3.49Å; R173-T184 PolarHBondContact O-OG1 3.25Å; Y175-T184 HydrophobicContact CD1-CG2 3.74Å; Y175-T184 HydrophobicContact CE1-CG2 3.39Å; T184-T237 HydrophobicContact CG2-CG2 4.32Å
185S98.8Very high98.7Very high22 Ų2232 Ų3215%0.15418%0.175CC..EExtended strand (participates in β ladder)trans-146.6135.8171.5146.70000107.4V172 R173 E187V172-S185 CarbonylContact C-O 3.47Å; V172-S185 VanDerWaalsContact CA-O 3.25Å; V172-S185 WeakPolarHBondContact CA-O 3.49Å; R173-S185 PolarHBondContact N-O 3.47Å; S185-E187 PolarHBondContact OG-OE1 3.35Å
186I98.9Very high98.7Very high0 Ų034.7 Ų34.70%019%0.193CC..EExtended strand (participates in β ladder)trans-137.8108.7175.7-56.5177.7000105.6M158 M170 V172 W183 L194 M195 L198 L238M158-I186 HydrophobicContact CE-CD1 4.2Å; M158-I186 HydrophobicContact SD-CD1 3.67Å; M170-I186 HydrophobicContact CB-CG2 4.38Å; M170-I186 HydrophobicContact CG-CG2 4.39Å; M170-I186 HydrophobicContact SD-CG2 3.64Å; V172-I186 HydrophobicContact CG1-CB 4.34Å; V172-I186 HydrophobicContact CG1-CG1 4Å; V172-I186 HydrophobicContact CG1-CG2 4.07Å; W183-I186 HydrophobicContact CB-CD1 3.91Å; W183-I186 HydrophobicContact CB-CG1 4.07Å; W183-I186 HydrophobicContact CG-CD1 4.18Å; W183-I186 HydrophobicContact CG-CG1 4.49Å; I186-L194 HydrophobicContact CG2-CB 4.19Å; I186-L194 HydrophobicContact CG2-CD1 4.23Å; I186-L194 WeakPolarHBondContact O-CB 3.46Å; I186-L194 PolarHBondContact O-N 2.86Å; I186-M195 HydrophobicContact CB-CG 4.36Å; I186-M195 HydrophobicContact CD1-SD 4.07Å; I186-M195 HydrophobicContact CG1-SD 4.15Å; I186-L198 HydrophobicContact CB-CD1 4.19Å; I186-L198 HydrophobicContact CD1-CD1 3.64Å; I186-L198 HydrophobicContact CG2-CD1 3.87Å; I186-L238 HydrophobicContact CD1-CD1 3.62Å
187E98.9Very high98.6Very high63 Ų6339 Ų3929%0.29421%0.214SC..EExtended strand (participates in β ladder)trans-119.7155.5-179.3-68163-158.900109.4M170 R171 S185 N192M170-E187 CarbonylContact C-O 3.59Å; M170-E187 WeakPolarHBondContact CA-O 3.47Å; R171-E187 PolarHBondContact N-O 3.38Å; R171-E187 PolarHBondContact O-N 2.87Å; S185-E187 PolarHBondContact OG-OE1 3.35Å; E187-N192 WeakPolarHBondContact CA-O 3.34Å
188D98.6Very high98.6Very high19 Ų1939 Ų3910%0.10221%0.213CC..EExtended strand (participates in β ladder)trans-72.9177.1161.570.118.2000111.3Q169 Q190 G191 N192 L194Q169-D188 WeakPolarHBondContact O-CA 3.49Å; D188-Q190 PolarHBondContact O-N 3.18Å; D188-Q190 WeakPolarHBondContact OD1-CA 3.49Å; D188-Q190 WeakPolarHBondContact OD1-CB 3.42Å; D188-Q190 PolarHBondContact OD1-N 2.79Å; D188-G191 PolarHBondContact O-N 2.71Å; D188-G191 PolarHBondContact OD1-N 2.68Å; D188-N192 PolarHBondContact N-O 3.36Å; D188-N192 PolarHBondContact OD1-N 3.47Å; D188-N192 PolarHBondContact OD1-ND2 3.16Å; D188-N192 WeakPolarHBondContact OD2-CB 3.32Å; D188-N192 PolarHBondContact OD2-ND2 2.93Å; D188-L194 HydrophobicContact CB-CD1 4.26Å
189L97.8Very high98.6Very high85 Ų8542.3 Ų42.345%0.44523%0.225SC..THydrogen-bonded Turntrans-66.5-20.2-179.4-60.3-174.4000113.7Q169 R171 G191Q169-L189 PolarHBondContact O-N 2.95Å; R171-L189 PolarHBondContact NH2-O 3Å; L189-G191 VanDerWaalsContact C-N 3.33Å
190Q97.9Very high98.6Very high154 Ų15448.1 Ų48.172%0.7225%0.253SS*.THydrogen-bonded Turntrans-83.8-9175.4-66.37447.200112.7D188D188-Q190 PolarHBondContact O-N 3.18Å; D188-Q190 WeakPolarHBondContact OD1-CA 3.49Å; D188-Q190 WeakPolarHBondContact OD1-CB 3.42Å; D188-Q190 PolarHBondContact OD1-N 2.79Å
191G97.9Very high98.6Very high37 Ų3750.3 Ų50.338%0.38126%0.261SS..  trans89.615-179.500000113.9D188 L189D188-G191 PolarHBondContact O-N 2.71Å; D188-G191 PolarHBondContact OD1-N 2.68Å; L189-G191 VanDerWaalsContact C-N 3.33Å
192N98.7Very high98.6Very high94 Ų9450.3 Ų50.350%0.50326%0.261SS..  trans-74.4131.5173-55.7-60.8000109.6E187 D188 L194E187-N192 WeakPolarHBondContact CA-O 3.34Å; D188-N192 PolarHBondContact N-O 3.36Å; D188-N192 PolarHBondContact OD1-N 3.47Å; D188-N192 PolarHBondContact OD1-ND2 3.16Å; D188-N192 WeakPolarHBondContact OD2-CB 3.32Å; D188-N192 PolarHBondContact OD2-ND2 2.93Å; N192-L194 PolarHBondContact O-N 3.46Å
193D98.8Very high98.5Very high93 Ų9353.1 Ų53.150%0.49728%0.281SS..BIsolated β-bridgetrans-73.3118.4-179.1-177.516.6000111.8M195 P196D193-M195 VanDerWaalsContact OD1-CB 3.23Å; D193-M195 WeakPolarHBondContact OD1-CB 3.03Å; D193-M195 PolarHBondContact OD1-N 2.99Å; D193-P196 WeakPolarHBondContact OD2-CD 3.06Å
194L98.8Very high98.5Very high19 Ų1958.9 Ų58.910%0.09931%0.306CS..  trans-95.2-11.3179.8-55.1176.2000112.4V162 L164 M170 I186 D188 N192 P196 Q197 L198V162-L194 HydrophobicContact CG1-CB 4.41Å; V162-L194 HydrophobicContact CG2-CD1 4.3Å; L164-L194 HydrophobicContact CD1-CD1 3.9Å; M170-L194 HydrophobicContact CG-CD1 4Å; M170-L194 HydrophobicContact SD-CD1 4.24Å; I186-L194 HydrophobicContact CG2-CB 4.19Å; I186-L194 HydrophobicContact CG2-CD1 4.23Å; I186-L194 WeakPolarHBondContact O-CB 3.46Å; I186-L194 PolarHBondContact O-N 2.86Å; D188-L194 HydrophobicContact CB-CD1 4.26Å; N192-L194 PolarHBondContact O-N 3.46Å; L194-P196 VanDerWaalsContact C-CD 3.49Å; L194-Q197 PolarHBondContact O-N 2.9Å; L194-L198 HydrophobicContact CB-CD1 4.32Å; L194-L198 PolarHBondContact O-N 2.92Å; L194-L198 VanDerWaalsContact O-N 3.08Å
195M98.7Very high98.4Very high7 Ų760.9 Ų60.93%0.03431%0.311CS..Hα-helixtrans-57.2-40.6-179-82.8-69.7-57.500114.1I186 D193 Q197 L198 R199 D236 L238I186-M195 HydrophobicContact CB-CG 4.36Å; I186-M195 HydrophobicContact CD1-SD 4.07Å; I186-M195 HydrophobicContact CG1-SD 4.15Å; D193-M195 VanDerWaalsContact OD1-CB 3.23Å; D193-M195 WeakPolarHBondContact OD1-CB 3.03Å; D193-M195 PolarHBondContact OD1-N 2.99Å; M195-Q197 PolarHBondContact O-N 3.49Å; M195-L198 PolarHBondContact O-N 3.32Å; M195-R199 HydrophobicContact CE-CG 3.69Å; M195-R199 WeakPolarHBondContact O-CB 3.48Å; M195-R199 VanDerWaalsContact O-CG 3.22Å; M195-R199 WeakPolarHBondContact O-CG 3.4Å; M195-R199 PolarHBondContact O-N 2.91Å; M195-R199 PolarHBondContact O-NE 3.25Å; M195-D236 WeakPolarHBondContact CE-O 3.07Å; M195-L238 HydrophobicContact CE-CG 4.14Å; M195-L238 HydrophobicContact SD-CD1 3.95Å; M195-L238 HydrophobicContact SD-CG 3.97Å
196P98.6Very high98.3Very high65 Ų6559.8 Ų59.842%0.42230%0.304SS..Hα-helixtrans-60.1-46.4179.6-25.935.7000112.8D193 L194 Q200D193-P196 WeakPolarHBondContact OD2-CD 3.06Å; L194-P196 VanDerWaalsContact C-CD 3.49Å; P196-Q200 WeakPolarHBondContact O-CB 3.3Å; P196-Q200 PolarHBondContact O-N 3.31Å; P196-Q200 VanDerWaalsContact O-N 3.08Å
197Q98.3Very high98.3Very high91 Ų9159.8 Ų59.843%0.42530%0.304SS..Hα-helixtrans-65.6-46.2178.4180174.7-10.200111.1I161 V162 L194 M195 R199 Q200 Y201I161-Q197 PolarHBondContact O-NE2 3.38Å; V162-Q197 HydrophobicContact CG1-CG 4.24Å; L194-Q197 PolarHBondContact O-N 2.9Å; M195-Q197 PolarHBondContact O-N 3.49Å; Q197-R199 PolarHBondContact O-N 3.28Å; Q197-Q200 PolarHBondContact O-N 2.88Å; Q197-Y201 PolarHBondContact O-N 3.29Å
198L98.7Very high98.2Very high0 Ų058 Ų580%030%0.298CS..Hα-helixtrans-60.8-46.8178.5-75.9168.3000111.7M158 I161 V162 I186 L194 M195 Q200 Y201 V202 L238M158-L198 HydrophobicContact CB-CD1 4.33Å; M158-L198 HydrophobicContact CB-CD2 3.8Å; M158-L198 HydrophobicContact CG-CD1 4.44Å; M158-L198 HydrophobicContact CG-CD2 3.95Å; I161-L198 HydrophobicContact CB-CD2 4.17Å; I161-L198 HydrophobicContact CG2-CD2 3.91Å; V162-L198 HydrophobicContact CG1-CD1 4.29Å; V162-L198 HydrophobicContact CG1-CD2 3.71Å; V162-L198 HydrophobicContact CG1-CG 3.63Å; I186-L198 HydrophobicContact CB-CD1 4.19Å; I186-L198 HydrophobicContact CD1-CD1 3.64Å; I186-L198 HydrophobicContact CG2-CD1 3.87Å; L194-L198 HydrophobicContact CB-CD1 4.32Å; L194-L198 PolarHBondContact O-N 2.92Å; L194-L198 VanDerWaalsContact O-N 3.08Å; M195-L198 PolarHBondContact O-N 3.32Å; L198-Q200 VanDerWaalsContact C-N 3.34Å; L198-Q200 PolarHBondContact O-N 2.95Å; L198-Y201 PolarHBondContact O-N 3.5Å; L198-V202 VanDerWaalsContact O-CB 3.29Å; L198-V202 WeakPolarHBondContact O-CB 3.36Å; L198-V202 WeakPolarHBondContact O-CG2 2.99Å; L198-V202 PolarHBondContact O-N 2.93Å; L198-L238 HydrophobicContact CB-CD1 3.71Å; L198-L238 HydrophobicContact CD1-CD1 3.92Å; L198-L238 HydrophobicContact CG-CD1 4.32Å
199R98.5Very high97.9Very high76 Ų7657.5 Ų57.529%0.28730%0.295SS..Hα-helixtrans-61.7-41.3178.1-73-175.7-70.4176.2-3.5112.5M195 Q197 Y201 S203 P235 D236 L238M195-R199 HydrophobicContact CE-CG 3.69Å; M195-R199 WeakPolarHBondContact O-CB 3.48Å; M195-R199 VanDerWaalsContact O-CG 3.22Å; M195-R199 WeakPolarHBondContact O-CG 3.4Å; M195-R199 PolarHBondContact O-N 2.91Å; M195-R199 PolarHBondContact O-NE 3.25Å; Q197-R199 PolarHBondContact O-N 3.28Å; R199-Y201 VanDerWaalsContact C-N 3.28Å; R199-Y201 PolarHBondContact O-N 3.32Å; R199-S203 VanDerWaalsContact O-CB 3.27Å; R199-S203 WeakPolarHBondContact O-CB 3.27Å; R199-S203 PolarHBondContact O-N 3.4Å; R199-S203 PolarHBondContact O-OG 3.09Å; R199-P235 WeakPolarHBondContact CD-O 3.22Å; R199-P235 PolarHBondContact NH1-O 2.86Å; R199-D236 IonicContact NH1-OD1 3.4Å; R199-D236 PolarHBondContact NH1-OD1 3.48Å; R199-L238 HydrophobicContact CG-CD2 4.28Å
200Q98.2Very high97.5Very high128 Ų12857.5 Ų57.560%0.59830%0.3SS*.Hα-helixtrans-62.6-37.6177.6-172.6-176.225.200111.8P196 Q197 L198 S203P196-Q200 WeakPolarHBondContact O-CB 3.3Å; P196-Q200 PolarHBondContact O-N 3.31Å; P196-Q200 VanDerWaalsContact O-N 3.08Å; Q197-Q200 PolarHBondContact O-N 2.88Å; L198-Q200 VanDerWaalsContact C-N 3.34Å; L198-Q200 PolarHBondContact O-N 2.95Å; Q200-S203 PolarHBondContact O-OG 3.4Å
201Y98.5Very high96.8Very high50 Ų5057.9 Ų57.920%0.19630%0.302CS..Hα-helixtrans-77.2-51.7179.1-169.8-83.3000112.1I161 Q197 L198 R199 S203 K204 H205 V208 P210I161-Y201 HydrophobicContact CB-CD1 4.38Å; I161-Y201 HydrophobicContact CD1-CD1 3.75Å; I161-Y201 HydrophobicContact CD1-CE1 3.84Å; I161-Y201 HydrophobicContact CG1-CD1 3.83Å; I161-Y201 HydrophobicContact CG1-CE1 3.73Å; I161-Y201 HydrophobicContact CG1-CG 4.48Å; I161-Y201 HydrophobicContact CG2-CD1 3.61Å; I161-Y201 HydrophobicContact CG2-CD2 3.98Å; I161-Y201 HydrophobicContact CG2-CE1 4.24Å; I161-Y201 HydrophobicContact CG2-CG 3.46Å; I161-Y201 VanDerWaalsContact CG2-CG 3.46Å; Q197-Y201 PolarHBondContact O-N 3.29Å; L198-Y201 PolarHBondContact O-N 3.5Å; R199-Y201 VanDerWaalsContact C-N 3.28Å; R199-Y201 PolarHBondContact O-N 3.32Å; Y201-S203 VanDerWaalsContact C-N 3.3Å; Y201-S203 PolarHBondContact O-N 3.44Å; Y201-K204 PolarHBondContact O-N 3.33Å; Y201-H205 HydrophobicContact CD1-CB 4.1Å; Y201-H205 HydrophobicContact CE1-CB 3.58Å; Y201-H205 AromaticContact CE2-CD2 3.82Å; Y201-H205 AromaticContact CZ-CD2 3.81Å; Y201-H205 PolarHBondContact O-N 2.99Å; Y201-V208 WeakPolarHBondContact CE1-O 3.34Å; Y201-V208 PolarHBondContact OH-O 3.29Å; Y201-P210 HydrophobicContact CE2-CG 3.86Å; Y201-P210 WeakPolarHBondContact OH-CA 3.37Å; Y201-P210 WeakPolarHBondContact OH-CD 3.28Å; Y201-P210 VanDerWaalsContact OH-N 3.14Å
202V98.6Very high95.5Very high0 Ų063.9 Ų63.90%032%0.32CS..Hα-helixtrans-61.6-37.2-176.1172.50000111.5L198 K204 H205 G206 Y207 R228 Q231 L238L198-V202 VanDerWaalsContact O-CB 3.29Å; L198-V202 WeakPolarHBondContact O-CB 3.36Å; L198-V202 WeakPolarHBondContact O-CG2 2.99Å; L198-V202 PolarHBondContact O-N 2.93Å; V202-K204 PolarHBondContact O-N 2.92Å; V202-H205 PolarHBondContact O-N 3.47Å; V202-G206 WeakPolarHBondContact CA-O 3.46Å; V202-G206 WeakPolarHBondContact O-CA 3.42Å; V202-G206 PolarHBondContact O-N 2.91Å; V202-Y207 HydrophobicContact CG1-CE1 4.3Å; V202-Y207 HydrophobicContact CG2-CD1 3.81Å; V202-Y207 HydrophobicContact CG2-CE1 3.68Å; V202-R228 WeakPolarHBondContact O-CA 3.38Å; V202-R228 WeakPolarHBondContact O-CB 3.41Å; V202-Q231 HydrophobicContact CG1-CB 4.01Å; V202-Q231 HydrophobicContact CG1-CG 3.98Å; V202-L238 HydrophobicContact CB-CD2 4.18Å; V202-L238 HydrophobicContact CG1-CD2 4.15Å; V202-L238 HydrophobicContact CG2-CD2 4.15Å
203S97.9Very high94.2Very high61 Ų6162.5 Ų62.543%0.42731%0.313SS..Hα-helixtrans-61.2-17.5176.257.10000114.1R199 Q200 Y201R199-S203 VanDerWaalsContact O-CB 3.27Å; R199-S203 WeakPolarHBondContact O-CB 3.27Å; R199-S203 PolarHBondContact O-N 3.4Å; R199-S203 PolarHBondContact O-OG 3.09Å; Q200-S203 PolarHBondContact O-OG 3.4Å; Y201-S203 VanDerWaalsContact C-N 3.3Å; Y201-S203 PolarHBondContact O-N 3.44Å
204K97.8Very high92.8Very high122 Ų12264.1 Ų64.153%0.5333%0.326SS..Hα-helixtrans-104.9-42.6177.8-61.9178.4-176177.70112.8Y201 V202Y201-K204 PolarHBondContact O-N 3.33Å; V202-K204 PolarHBondContact O-N 2.92Å
205H97.5Very high91.7Very high92 Ų9270 Ų7043%0.42635%0.353SS..Hα-helixtrans-119.1-5.8-165.4-56.1-64.4000114Y201 V202Y201-H205 HydrophobicContact CD1-CB 4.1Å; Y201-H205 HydrophobicContact CE1-CB 3.58Å; Y201-H205 AromaticContact CE2-CD2 3.82Å; Y201-H205 AromaticContact CZ-CD2 3.81Å; Y201-H205 PolarHBondContact O-N 2.99Å; V202-H205 PolarHBondContact O-N 3.47Å
206G98Very high90.6Very high0 Ų070.9 Ų70.90%036%0.359CS..THydrogen-bonded Turntrans63.8-146.2-167.400000110.9V202 V208 Y224V202-G206 WeakPolarHBondContact CA-O 3.46Å; V202-G206 WeakPolarHBondContact O-CA 3.42Å; V202-G206 PolarHBondContact O-N 2.91Å; G206-V208 VanDerWaalsContact C-N 3.3Å; G206-V208 PolarHBondContact O-N 2.73Å; G206-Y224 CarbonylContact C-O 3.55Å; G206-Y224 WeakPolarHBondContact CA-O 3.37Å
207Y97.9Very high89.9Confident0 Ų070.9 Ų70.90%035%0.353CS..THydrogen-bonded Turntrans-9222.4175.1-59.8-57.3000113.5I154 R157 M158 V202 P209 Y224 A227 L238 P239 T241I154-Y207 HydrophobicContact CG2-CD1 4.23Å; I154-Y207 HydrophobicContact CG2-CD2 4.07Å; I154-Y207 HydrophobicContact CG2-CE1 4.03Å; I154-Y207 HydrophobicContact CG2-CE2 3.85Å; I154-Y207 HydrophobicContact CG2-CG 4.25Å; R157-Y207 WeakPolarHBondContact CD-O 3.17Å; M158-Y207 HydrophobicContact CE-CD1 4.35Å; M158-Y207 HydrophobicContact CE-CE1 3.42Å; M158-Y207 VanDerWaalsContact CE-CE1 3.42Å; M158-Y207 WeakPolarHBondContact CE-OH 3.43Å; M158-Y207 HydrophobicContact CG-CD1 4.38Å; M158-Y207 HydrophobicContact CG-CE1 4.21Å; V202-Y207 HydrophobicContact CG1-CE1 4.3Å; V202-Y207 HydrophobicContact CG2-CD1 3.81Å; V202-Y207 HydrophobicContact CG2-CE1 3.68Å; Y207-P209 VanDerWaalsContact O-CD 3.23Å; Y207-P209 WeakPolarHBondContact O-CD 3.44Å; Y207-Y224 HydrophobicContact CD2-CD1 4.47Å; Y207-Y224 PolarHBondContact N-O 3.07Å; Y207-A227 HydrophobicContact CD2-CB 3.39Å; Y207-A227 HydrophobicContact CE2-CB 3.48Å; Y207-A227 VanDerWaalsContact CE2-CB 3.48Å; Y207-A227 HydrophobicContact CG-CB 4.27Å; Y207-L238 WeakPolarHBondContact OH-CB 3.34Å; Y207-P239 WeakPolarHBondContact CE2-O 3.47Å; Y207-P239 WeakPolarHBondContact OH-CD 3.42Å; Y207-P239 PolarHBondContact OH-O 2.91Å; Y207-T241 HydrophobicContact CD2-CG2 3.69Å; Y207-T241 HydrophobicContact CE2-CG2 4.02Å
208V96.1Very high89.3Confident26 Ų2670.7 Ų70.716%0.15837%0.367CS..  trans-78.8110.4173.1-177.30000107.8Y201 G206 N221 A225Y201-V208 WeakPolarHBondContact CE1-O 3.34Å; Y201-V208 PolarHBondContact OH-O 3.29Å; G206-V208 VanDerWaalsContact C-N 3.3Å; G206-V208 PolarHBondContact O-N 2.73Å; V208-N221 WeakPolarHBondContact CG2-OD1 3.41Å; V208-A225 HydrophobicContact CG2-CB 3.85Å
209P92.3Very high88.8Confident7 Ų772.6 Ų72.65%0.04538%0.381CS..  trans-67.7161.7-17528.1-34.5000112.3Q160 Y207 Q211Q160-P209 HydrophobicContact CB-CB 4.01Å; Q160-P209 VanDerWaalsContact OE1-CB 3.28Å; Q160-P209 VanDerWaalsContact OE1-CG 3.3Å; Y207-P209 VanDerWaalsContact O-CD 3.23Å; Y207-P209 WeakPolarHBondContact O-CD 3.44Å; P209-Q211 VanDerWaalsContact C-N 3.26Å; P209-Q211 WeakPolarHBondContact CG-O 3.48Å; P209-Q211 PolarHBondContact O-N 3.41Å
210P89.9Confident88.4Confident85 Ų8572 Ų7255%0.55238%0.378SS*.SBendtrans-60.6-33.4-179.2-22.231.2000113.9Y201Y201-P210 HydrophobicContact CE2-CG 3.86Å; Y201-P210 WeakPolarHBondContact OH-CA 3.37Å; Y201-P210 WeakPolarHBondContact OH-CD 3.28Å; Y201-P210 VanDerWaalsContact OH-N 3.14Å
211Q83.6Confident88Confident162 Ų16268.8 Ų68.876%0.75737%0.365SS*.SBendtrans-93.7117.2172.6-68.9169.85.400107.6P209 D213P209-Q211 VanDerWaalsContact C-N 3.26Å; P209-Q211 WeakPolarHBondContact CG-O 3.48Å; P209-Q211 PolarHBondContact O-N 3.41Å; Q211-D213 PolarHBondContact O-N 2.94Å; Q211-D213 VanDerWaalsContact O-N 3.17Å
212Q69.3Low87.7Confident164 Ų16469.3 Ų69.377%0.76637%0.371SS*.  trans-64119.3177.4-88.9-175.6-16.600110.1T214Q212-T214 PolarHBondContact O-N 3.46Å
213D71.9Confident87.6Confident65 Ų6569.6 Ų69.635%0.34837%0.373SS..  trans-75108.9167171.620.8000109.4Q211 H215 T216Q211-D213 PolarHBondContact O-N 2.94Å; Q211-D213 VanDerWaalsContact O-N 3.17Å; D213-H215 PolarHBondContact O-N 3.22Å; D213-H215 WeakPolarHBondContact OD1-CB 3.32Å; D213-H215 IonicContact OD1-CD2 2.79Å; D213-H215 IonicContact OD1-CG 2.71Å; D213-H215 PolarHBondContact OD1-N 2.89Å; D213-T216 PolarHBondContact O-N 3.49Å; D213-T216 PolarHBondContact OD2-N 3.4Å; D213-T216 PolarHBondContact OD2-OG1 3.01Å
214T69.8Low87.6Confident127 Ų12767.5 Ų67.578%0.77936%0.356SS*.THydrogen-bonded Turntrans-67.8-13.3179.751.30000113.6Q212Q212-T214 PolarHBondContact O-N 3.46Å
215H74.8Confident87.6Confident141 Ų14163 Ų6365%0.65334%0.341SS*.THydrogen-bonded Turntrans-87.6-13.3176.7-60.3-83.3000112.8D213 E217D213-H215 PolarHBondContact O-N 3.22Å; D213-H215 WeakPolarHBondContact OD1-CB 3.32Å; D213-H215 IonicContact OD1-CD2 2.79Å; D213-H215 IonicContact OD1-CG 2.71Å; D213-H215 PolarHBondContact OD1-N 2.89Å; H215-E217 PolarHBondContact O-N 2.62Å
216T77.4Confident87.6Confident27 Ų2759.5 Ų59.517%0.16633%0.325CS..SBendtrans-73115.8177.4-64.10000110.5R157 D213 W220 N221 Y224R157-T216 PolarHBondContact NH2-OG1 2.93Å; D213-T216 PolarHBondContact O-N 3.49Å; D213-T216 PolarHBondContact OD2-N 3.4Å; D213-T216 PolarHBondContact OD2-OG1 3.01Å; T216-W220 HydrophobicContact CG2-CB 3.82Å; T216-N221 HydrophobicContact CG2-CB 4.09Å; T216-Y224 HydrophobicContact CG2-CD2 4.36Å; T216-Y224 HydrophobicContact CG2-CE2 4.36Å
217E82.7Confident87.6Confident64 Ų6459.6 Ų59.630%0.29933%0.325SS..  trans-62.4148.8176.2-57.9-179.5-126.700111.7H215 S219 W220 N221 R262 R270H215-E217 PolarHBondContact O-N 2.62Å; E217-S219 VanDerWaalsContact C-N 3.28Å; E217-S219 PolarHBondContact O-N 2.96Å; E217-W220 WeakPolarHBondContact O-CA 3.49Å; E217-W220 WeakPolarHBondContact O-CB 3.42Å; E217-W220 PolarHBondContact O-N 3.22Å; E217-N221 PolarHBondContact O-N 2.71Å; E217-R262 IonicContact OE1-CZ 2.76Å; E217-R262 IonicContact OE1-NH2 3.44Å; E217-R262 PolarHBondContact OE1-NH2 2.85Å; E217-R262 IonicContact OE2-CZ 3.5Å; E217-R262 IonicContact OE2-NH1 3.13Å; E217-R262 PolarHBondContact OE2-NH1 3.18Å; E217-R262 IonicContact OE2-NH2 3.81Å; E217-R262 PolarHBondContact OE2-NH2 2.52Å; E217-R270 IonicContact OE1-NH2 2.92Å
218A86.8Confident87.6Confident87 Ų8764.9 Ų64.972%0.71935%0.345SS*.Hα-helixtrans-55.8-39.9-173.700000113.4W220 N221 D222A218-W220 VanDerWaalsContact C-N 3.3Å; A218-W220 PolarHBondContact O-N 3.29Å; A218-N221 PolarHBondContact O-N 3.2Å; A218-D222 PolarHBondContact O-N 3.25Å
219S86.7Confident87.8Confident41 Ų4166 Ų6629%0.28735%0.351SS..Hα-helixtrans-63.2-34.3177.153.50000112.8E217 T223 R262E217-S219 VanDerWaalsContact C-N 3.28Å; E217-S219 PolarHBondContact O-N 2.96Å; S219-T223 PolarHBondContact O-N 3.31Å; S219-T223 PolarHBondContact O-OG1 3.3Å; S219-R262 PolarHBondContact OG-NH1 3.29Å
220W90.1Very high88.1Confident64 Ų6465.9 Ų65.924%0.24235%0.349CS..Hα-helixtrans-74.7-41.2173-86.6121.7000112.2M150 T216 E217 A218 D222 T223 Y224M150-W220 HydrophobicContact CE-CH2 3.21Å; M150-W220 HydrophobicContact CE-CZ2 4.04Å; M150-W220 HydrophobicContact CE-CZ3 3.5Å; M150-W220 HydrophobicContact SD-CZ3 4.29Å; T216-W220 HydrophobicContact CG2-CB 3.82Å; E217-W220 WeakPolarHBondContact O-CA 3.49Å; E217-W220 WeakPolarHBondContact O-CB 3.42Å; E217-W220 PolarHBondContact O-N 3.22Å; A218-W220 VanDerWaalsContact C-N 3.3Å; A218-W220 PolarHBondContact O-N 3.29Å; W220-D222 VanDerWaalsContact C-N 3.3Å; W220-D222 PolarHBondContact O-N 3.17Å; W220-T223 HydrophobicContact CE3-CG2 3.95Å; W220-T223 HydrophobicContact CZ3-CG2 3.77Å; W220-T223 WeakPolarHBondContact O-CA 3.3Å; W220-T223 WeakPolarHBondContact O-CB 3.41Å; W220-T223 PolarHBondContact O-N 2.88Å; W220-Y224 HydrophobicContact CB-CD2 4.33Å; W220-Y224 HydrophobicContact CB-CE2 3.95Å; W220-Y224 HydrophobicContact CD2-CE2 4.43Å; W220-Y224 HydrophobicContact CE3-CE2 4.05Å; W220-Y224 HydrophobicContact CG-CE2 4.43Å; W220-Y224 WeakPolarHBondContact O-CD2 3.5Å; W220-Y224 PolarHBondContact O-N 3.44Å
221N90.7Very high88.5Confident60 Ų6062.3 Ų62.332%0.32133%0.325SS..Hα-helixtrans-60.3-41.3178.4-168.354.1000112V208 T216 E217 A218 Y224 A225V208-N221 WeakPolarHBondContact CG2-OD1 3.41Å; T216-N221 HydrophobicContact CG2-CB 4.09Å; E217-N221 PolarHBondContact O-N 2.71Å; A218-N221 PolarHBondContact O-N 3.2Å; N221-Y224 PolarHBondContact O-N 3.23Å; N221-A225 WeakPolarHBondContact O-CB 3.4Å; N221-A225 PolarHBondContact O-N 3.47Å
222D92.6Very high89.2Confident60 Ų6057.7 Ų57.732%0.32132%0.315SS..Hα-helixtrans-59.8-45.3171.7177.264.3000111.9A218 W220 Y224 A225 K226 K244 Y251A218-D222 PolarHBondContact O-N 3.25Å; W220-D222 VanDerWaalsContact C-N 3.3Å; W220-D222 PolarHBondContact O-N 3.17Å; D222-Y224 VanDerWaalsContact C-N 3.33Å; D222-Y224 PolarHBondContact O-N 3.3Å; D222-A225 PolarHBondContact O-N 3.31Å; D222-K226 WeakPolarHBondContact O-CB 3.22Å; D222-K226 PolarHBondContact O-N 3.12Å; D222-K244 IonicContact OD2-NZ 3.21Å; D222-Y251 PolarHBondContact OD1-OH 2.69Å
223T96.3Very high90.6Very high6 Ų654 Ų544%0.03730%0.3CS..Hα-helixtrans-58.5-43.4177.7-58.80000112.4S219 W220 T241 K244S219-T223 PolarHBondContact O-N 3.31Å; S219-T223 PolarHBondContact O-OG1 3.3Å; W220-T223 HydrophobicContact CE3-CG2 3.95Å; W220-T223 HydrophobicContact CZ3-CG2 3.77Å; W220-T223 WeakPolarHBondContact O-CA 3.3Å; W220-T223 WeakPolarHBondContact O-CB 3.41Å; W220-T223 PolarHBondContact O-N 2.88Å; T223-T241 HydrophobicContact CG2-CG2 4.49Å; T223-K244 HydrophobicContact CG2-CD 4.1Å; T223-K244 PolarHBondContact OG1-NZ 2.86Å
224Y97.2Very high91.8Very high18 Ų1851.6 Ų51.67%0.07129%0.289CS..Hα-helixtrans-69.6-39.3176.5-67.8-58.5000112.4I154 R157 G206 Y207 T216 W220 N221 D222 A227 T241I154-Y224 HydrophobicContact CG1-CE1 4.16Å; R157-Y224 VanDerWaalsContact NH2-CE2 3.26Å; G206-Y224 CarbonylContact C-O 3.55Å; G206-Y224 WeakPolarHBondContact CA-O 3.37Å; Y207-Y224 HydrophobicContact CD2-CD1 4.47Å; Y207-Y224 PolarHBondContact N-O 3.07Å; T216-Y224 HydrophobicContact CG2-CD2 4.36Å; T216-Y224 HydrophobicContact CG2-CE2 4.36Å; W220-Y224 HydrophobicContact CB-CD2 4.33Å; W220-Y224 HydrophobicContact CB-CE2 3.95Å; W220-Y224 HydrophobicContact CD2-CE2 4.43Å; W220-Y224 HydrophobicContact CE3-CE2 4.05Å; W220-Y224 HydrophobicContact CG-CE2 4.43Å; W220-Y224 WeakPolarHBondContact O-CD2 3.5Å; W220-Y224 PolarHBondContact O-N 3.44Å; N221-Y224 PolarHBondContact O-N 3.23Å; D222-Y224 VanDerWaalsContact C-N 3.33Å; D222-Y224 PolarHBondContact O-N 3.3Å; Y224-A227 VanDerWaalsContact O-CB 3.26Å; Y224-A227 WeakPolarHBondContact O-CB 3.48Å; Y224-A227 PolarHBondContact O-N 3.24Å; Y224-T241 HydrophobicContact CD1-CG2 3.8Å; Y224-T241 HydrophobicContact CE1-CG2 4.11Å
225A97.3Very high93.1Very high26 Ų2649 Ų4922%0.21527%0.274CS..Hα-helixtrans-64.8-40.6176.800000112V208 N221 D222 A227 R228V208-A225 HydrophobicContact CG2-CB 3.85Å; N221-A225 WeakPolarHBondContact O-CB 3.4Å; N221-A225 PolarHBondContact O-N 3.47Å; D222-A225 PolarHBondContact O-N 3.31Å; A225-A227 PolarHBondContact O-N 3.32Å; A225-A227 VanDerWaalsContact O-N 3.14Å; A225-R228 WeakPolarHBondContact O-CG 3.27Å; A225-R228 PolarHBondContact O-N 3.32Å
226K98.3Very high94.2Very high20 Ų2048.1 Ų48.19%0.08727%0.274CS..Hα-helixtrans-64-18.7-179.4-166.262.8177.8179.20113.2D222 R228 D229 V230 K244 Y251D222-K226 WeakPolarHBondContact O-CB 3.22Å; D222-K226 PolarHBondContact O-N 3.12Å; K226-R228 PolarHBondContact O-N 3.03Å; K226-R228 VanDerWaalsContact O-N 3.09Å; K226-D229 HydrophobicContact CD-CB 4.34Å; K226-D229 WeakPolarHBondContact CD-OD2 3.22Å; K226-D229 VanDerWaalsContact CE-OD2 3.28Å; K226-D229 WeakPolarHBondContact CE-OD2 3.37Å; K226-D229 IonicContact NZ-OD2 2.69Å; K226-D229 PolarHBondContact NZ-OD2 3.43Å; K226-D229 PolarHBondContact O-N 2.99Å; K226-V230 PolarHBondContact O-N 2.97Å; K226-K244 HydrophobicContact CB-CD 4.25Å; K226-K244 HydrophobicContact CG-CB 4.12Å; K226-K244 HydrophobicContact CG-CD 4.22Å; K226-Y251 HydrophobicContact CD-CD1 4.11Å; K226-Y251 HydrophobicContact CD-CE1 3.78Å; K226-Y251 HydrophobicContact CG-CE1 4.22Å
227A98.5Very high95.2Very high1 Ų147.4 Ų47.41%0.00827%0.27CS..Hα-helixtrans-56.3-24.7173.800000113.2Y207 Y224 A225 D229 V230 Q231Y207-A227 HydrophobicContact CD2-CB 3.39Å; Y207-A227 HydrophobicContact CE2-CB 3.48Å; Y207-A227 VanDerWaalsContact CE2-CB 3.48Å; Y207-A227 HydrophobicContact CG-CB 4.27Å; Y224-A227 VanDerWaalsContact O-CB 3.26Å; Y224-A227 WeakPolarHBondContact O-CB 3.48Å; Y224-A227 PolarHBondContact O-N 3.24Å; A225-A227 PolarHBondContact O-N 3.32Å; A225-A227 VanDerWaalsContact O-N 3.14Å; A227-D229 VanDerWaalsContact C-N 3.32Å; A227-D229 PolarHBondContact O-N 3.27Å; A227-V230 PolarHBondContact O-N 3.04Å; A227-Q231 WeakPolarHBondContact O-CB 3.32Å; A227-Q231 PolarHBondContact O-N 2.96Å
228R98.2Very high96Very high112 Ų11244.3 Ų44.342%0.42326%0.256SS..Hα-helixtrans-60-41.4174.381.6-173175.3-163.7-10.9112.5V202 A225 K226 A232V202-R228 WeakPolarHBondContact O-CA 3.38Å; V202-R228 WeakPolarHBondContact O-CB 3.41Å; A225-R228 WeakPolarHBondContact O-CG 3.27Å; A225-R228 PolarHBondContact O-N 3.32Å; K226-R228 PolarHBondContact O-N 3.03Å; K226-R228 VanDerWaalsContact O-N 3.09Å; R228-A232 PolarHBondContact O-N 2.91Å
229D98.7Very high96.6Very high50 Ų5040.2 Ų40.227%0.26722%0.222SC..Hα-helixtrans-75.9-36-176.7-60.6-9.1000109.6K226 A227 F248K226-D229 HydrophobicContact CD-CB 4.34Å; K226-D229 WeakPolarHBondContact CD-OD2 3.22Å; K226-D229 VanDerWaalsContact CE-OD2 3.28Å; K226-D229 WeakPolarHBondContact CE-OD2 3.37Å; K226-D229 IonicContact NZ-OD2 2.69Å; K226-D229 PolarHBondContact NZ-OD2 3.43Å; K226-D229 PolarHBondContact O-N 2.99Å; A227-D229 VanDerWaalsContact C-N 3.32Å; A227-D229 PolarHBondContact O-N 3.27Å; D229-F248 HydrophobicContact CB-CE1 4.4Å; D229-F248 HydrophobicContact CB-CE2 3.91Å; D229-F248 HydrophobicContact CB-CZ 3.72Å
230V98.8Very high97.1Very high3 Ų338.3 Ų38.32%0.01821%0.208CC..Hα-helixtrans-65.7-44.6174.6-179.90000110.7K226 A227 A232 L233 P239 L243 K244 L247 F248K226-V230 PolarHBondContact O-N 2.97Å; A227-V230 PolarHBondContact O-N 3.04Å; V230-A232 VanDerWaalsContact C-N 3.27Å; V230-A232 PolarHBondContact O-N 2.98Å; V230-L233 PolarHBondContact O-N 3.16Å; V230-P239 HydrophobicContact CB-CB 4.4Å; V230-P239 HydrophobicContact CB-CG 3.97Å; V230-P239 HydrophobicContact CG1-CB 3.45Å; V230-P239 VanDerWaalsContact CG1-CB 3.45Å; V230-P239 HydrophobicContact CG1-CG 3.56Å; V230-L243 HydrophobicContact CG1-CB 3.63Å; V230-L243 HydrophobicContact CG1-CD1 4.42Å; V230-K244 HydrophobicContact CG2-CB 3.94Å; V230-L247 HydrophobicContact CG1-CD1 3.9Å; V230-F248 HydrophobicContact CB-CE2 4.4Å; V230-F248 HydrophobicContact CG2-CD2 3.97Å; V230-F248 HydrophobicContact CG2-CE2 3.76Å
231Q98.7Very high97.5Very high10 Ų1035.3 Ų35.35%0.04720%0.197CC..Hα-helixtrans-65.1-32.7-177.6-168.2-81.5-29.600111.9V202 A227 L233 A234 P235 T237 L238 P239V202-Q231 HydrophobicContact CG1-CB 4.01Å; V202-Q231 HydrophobicContact CG1-CG 3.98Å; A227-Q231 WeakPolarHBondContact O-CB 3.32Å; A227-Q231 PolarHBondContact O-N 2.96Å; Q231-L233 PolarHBondContact O-N 3.46Å; Q231-L233 VanDerWaalsContact O-N 3.11Å; Q231-A234 CarbonylContact O-C 3.38Å; Q231-A234 VanDerWaalsContact O-C 3.28Å; Q231-A234 PolarHBondContact O-N 3.31Å; Q231-P235 PolarHBondContact NE2-O 3.35Å; Q231-T237 WeakPolarHBondContact CG-O 3.35Å; Q231-T237 PolarHBondContact NE2-O 3.03Å; Q231-L238 HydrophobicContact CG-CD2 3.76Å; Q231-P239 HydrophobicContact CB-CG 3.97Å
232A98.5Very high97.9Very high65 Ų6533 Ų3354%0.53718%0.184SC..THydrogen-bonded Turntrans-60-21.917900000114.1R228 V230R228-A232 PolarHBondContact O-N 2.91Å; V230-A232 VanDerWaalsContact C-N 3.27Å; V230-A232 PolarHBondContact O-N 2.98Å
233L98.5Very high98.2Very high87 Ų8730.1 Ų30.146%0.45517%0.169SC..THydrogen-bonded Turntrans-75.4-23.4177.1-71.7166.9000113.5V230 Q231 L247 F357V230-L233 PolarHBondContact O-N 3.16Å; Q231-L233 PolarHBondContact O-N 3.46Å; Q231-L233 VanDerWaalsContact O-N 3.11Å; L233-L247 HydrophobicContact CD1-CB 4.07Å; L233-L247 HydrophobicContact CD1-CD1 3.51Å; L233-L247 HydrophobicContact CD1-CD2 4.35Å; L233-L247 HydrophobicContact CD1-CG 4.17Å; L233-F357 HydrophobicContact CB-CE1 4.31Å; L233-F357 HydrophobicContact CB-CZ 4.13Å; L233-F357 HydrophobicContact CD1-CZ 4.41Å
234A97.9Very high98.3Very high15 Ų1530.5 Ų30.512%0.12417%0.17CC..SBendtrans-141.775.9178.400000110.2Q231 D236 T237Q231-A234 CarbonylContact O-C 3.38Å; Q231-A234 VanDerWaalsContact O-C 3.28Å; Q231-A234 PolarHBondContact O-N 3.31Å; A234-D236 PolarHBondContact O-N 3.1Å; A234-T237 WeakPolarHBondContact CB-OG1 3.33Å; A234-T237 PolarHBondContact O-N 2.82Å; A234-T237 PolarHBondContact O-OG1 2.81Å
235P97.3Very high98.4Very high72 Ų7230.7 Ų30.747%0.46817%0.171SC..THydrogen-bonded Turntrans-59.9-19.3-169.5-26.235.5000115.5R199 Q231 T237R199-P235 WeakPolarHBondContact CD-O 3.22Å; R199-P235 PolarHBondContact NH1-O 2.86Å; Q231-P235 PolarHBondContact NE2-O 3.35Å; P235-T237 VanDerWaalsContact C-N 3.27Å
236D97.3Very high98.5Very high122 Ų12229.9 Ų29.965%0.65216%0.162SC*.THydrogen-bonded Turntrans-83.8-1.8178.1-62-39.9000113.5M195 R199 A234M195-D236 WeakPolarHBondContact CE-O 3.07Å; R199-D236 IonicContact NH1-OD1 3.4Å; R199-D236 PolarHBondContact NH1-OD1 3.48Å; A234-D236 PolarHBondContact O-N 3.1Å
237T98.7Very high98.5Very high12 Ų1230.3 Ų30.37%0.07417%0.165CC..SBendtrans-129.1171.4-178.564.80000111.5W182 W183 T184 Q231 A234 P235W182-T237 HydrophobicContact CB-CG2 4.4Å; W183-T237 WeakPolarHBondContact O-CA 3.24Å; W183-T237 WeakPolarHBondContact O-CB 3.38Å; T184-T237 HydrophobicContact CG2-CG2 4.32Å; Q231-T237 WeakPolarHBondContact CG-O 3.35Å; Q231-T237 PolarHBondContact NE2-O 3.03Å; A234-T237 WeakPolarHBondContact CB-OG1 3.33Å; A234-T237 PolarHBondContact O-N 2.82Å; A234-T237 PolarHBondContact O-OG1 2.81Å; P235-T237 VanDerWaalsContact C-N 3.27Å
238L98.9Very high98.5Very high0 Ų032.5 Ų32.50%018%0.175CC..EExtended strand (participates in β ladder)trans-119.2132.7167.4-70.7-177.6000109.1M158 W182 W183 I186 M195 L198 R199 V202 Y207 Q231M158-L238 HydrophobicContact CE-CB 4.03Å; M158-L238 HydrophobicContact CE-CD1 3.77Å; M158-L238 HydrophobicContact SD-CD1 4.43Å; W182-L238 CarbonylContact C-O 3.58Å; W182-L238 VanDerWaalsContact CA-O 3.22Å; W182-L238 WeakPolarHBondContact CA-O 3.31Å; W183-L238 HydrophobicContact CB-CB 4.29Å; W183-L238 HydrophobicContact CE3-CB 4.19Å; W183-L238 PolarHBondContact N-O 3.47Å; W183-L238 PolarHBondContact O-N 3.1Å; W183-L238 VanDerWaalsContact O-N 3.09Å; I186-L238 HydrophobicContact CD1-CD1 3.62Å; M195-L238 HydrophobicContact CE-CG 4.14Å; M195-L238 HydrophobicContact SD-CD1 3.95Å; M195-L238 HydrophobicContact SD-CG 3.97Å; L198-L238 HydrophobicContact CB-CD1 3.71Å; L198-L238 HydrophobicContact CD1-CD1 3.92Å; L198-L238 HydrophobicContact CG-CD1 4.32Å; R199-L238 HydrophobicContact CG-CD2 4.28Å; V202-L238 HydrophobicContact CB-CD2 4.18Å; V202-L238 HydrophobicContact CG1-CD2 4.15Å; V202-L238 HydrophobicContact CG2-CD2 4.15Å; Y207-L238 WeakPolarHBondContact OH-CB 3.34Å; Q231-L238 HydrophobicContact CG-CD2 3.76Å
239P98.9Very high98.6Very high1 Ų128.7 Ų28.71%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-94.1148.3-171.435.2-37000114W183 Y207 V230 Q231 L243W183-P239 WeakPolarHBondContact CZ3-O 3.26Å; Y207-P239 WeakPolarHBondContact CE2-O 3.47Å; Y207-P239 WeakPolarHBondContact OH-CD 3.42Å; Y207-P239 PolarHBondContact OH-O 2.91Å; V230-P239 HydrophobicContact CB-CB 4.4Å; V230-P239 HydrophobicContact CB-CG 3.97Å; V230-P239 HydrophobicContact CG1-CB 3.45Å; V230-P239 VanDerWaalsContact CG1-CB 3.45Å; V230-P239 HydrophobicContact CG1-CG 3.56Å; Q231-P239 HydrophobicContact CB-CG 3.97Å; P239-L243 HydrophobicContact CB-CD1 3.7Å
240N98.9Very high98.5Very high0 Ų031.9 Ų31.90%018%0.181CC..  trans-58.9136.8159.5-169.1-53.3000109.7Y174 G181 Y242 L243Y174-N240 PolarHBondContact OH-ND2 3.1Å; G181-N240 WeakPolarHBondContact O-CB 3.32Å; G181-N240 PolarHBondContact O-N 2.91Å; N240-Y242 PolarHBondContact O-N 3.49Å; N240-Y242 WeakPolarHBondContact OD1-CD2 3.34Å; N240-Y242 PolarHBondContact OD1-N 2.88Å; N240-Y242 VanDerWaalsContact OD1-N 3.13Å; N240-L243 WeakPolarHBondContact O-CB 3.49Å; N240-L243 PolarHBondContact O-N 3.19Å; N240-L243 VanDerWaalsContact O-N 3.12Å
241T98.6Very high98.5Very high2 Ų234 Ų341%0.01219%0.189CC..THydrogen-bonded Turntrans-63-26.9-174.552.90000113.4M150 I154 Y207 T223 Y224 L243 K244M150-T241 PolarHBondContact SD-OG1 2.9Å; I154-T241 HydrophobicContact CD1-CG2 3.62Å; I154-T241 HydrophobicContact CG1-CG2 3.95Å; Y207-T241 HydrophobicContact CD2-CG2 3.69Å; Y207-T241 HydrophobicContact CE2-CG2 4.02Å; T223-T241 HydrophobicContact CG2-CG2 4.49Å; Y224-T241 HydrophobicContact CD1-CG2 3.8Å; Y224-T241 HydrophobicContact CE1-CG2 4.11Å; T241-L243 PolarHBondContact O-N 3.13Å; T241-K244 WeakPolarHBondContact O-CG 3.26Å; T241-K244 PolarHBondContact O-N 3.31Å
242Y98.8Very high98.5Very high11 Ų1134.2 Ų34.24%0.04319%0.191CC..THydrogen-bonded Turntrans-65.1-19.3177-81.2-85000113.6T89 C90 M150 H179 N240 K244 Y245 Y246T89-Y242 WeakPolarHBondContact OG1-CE1 3.48Å; C90-Y242 WeakPolarHBondContact SG-CD1 3.46Å; M150-Y242 HydrophobicContact CB-CD2 4.37Å; M150-Y242 HydrophobicContact CB-CE2 3.99Å; M150-Y242 HydrophobicContact CE-CD2 4.45Å; M150-Y242 HydrophobicContact CE-CE2 3.63Å; M150-Y242 HydrophobicContact CG-CD2 3.76Å; M150-Y242 HydrophobicContact CG-CE2 3.69Å; M150-Y242 HydrophobicContact SD-CE2 4.27Å; H179-Y242 HydrophobicContact CB-CD1 4.14Å; H179-Y242 HydrophobicContact CB-CD2 3.71Å; H179-Y242 HydrophobicContact CB-CE2 4.28Å; H179-Y242 HydrophobicContact CB-CG 3.64Å; H179-Y242 AromaticContact CD2-CD2 3.59Å; H179-Y242 AromaticContact CD2-CE2 3.39Å; H179-Y242 WeakPolarHBondContact CD2-CE2 3.47Å; H179-Y242 AromaticContact CE1-CE1 3.93Å; H179-Y242 AromaticContact CE1-CE2 3.51Å; H179-Y242 AromaticContact CE1-CZ 3.33Å; H179-Y242 PolarHBondContact CE1-OH 3.12Å; H179-Y242 AromaticContact CG-CD2 3.48Å; H179-Y242 VanDerWaalsContact CG-CD2 3.48Å; H179-Y242 AromaticContact CG-CE2 3.53Å; H179-Y242 AromaticContact CG-CG 3.78Å; H179-Y242 AromaticContact CG-CZ 3.89Å; H179-Y242 AromaticContact ND1-CD1 3.91Å; H179-Y242 AromaticContact ND1-CD2 3.91Å; H179-Y242 AromaticContact ND1-CE1 3.61Å; H179-Y242 AromaticContact ND1-CE2 3.59Å; H179-Y242 AromaticContact ND1-CZ 3.44Å; H179-Y242 AromaticContact NE2-CE2 3.37Å; H179-Y242 WeakPolarHBondContact NE2-CE2 3.31Å; H179-Y242 AromaticContact NE2-CZ 3.68Å; H179-Y242 WeakPolarHBondContact O-CB 3.35Å; N240-Y242 PolarHBondContact O-N 3.49Å; N240-Y242 WeakPolarHBondContact OD1-CD2 3.34Å; N240-Y242 PolarHBondContact OD1-N 2.88Å; N240-Y242 VanDerWaalsContact OD1-N 3.13Å; Y242-K244 PolarHBondContact O-N 2.69Å; Y242-Y245 AromaticContact CD1-CD2 3.64Å; Y242-Y245 HydrophobicContact CD1-CD2 3.64Å; Y242-Y245 AromaticContact CD1-CE2 3.41Å; Y242-Y245 HydrophobicContact CD1-CE2 3.41Å; Y242-Y245 VanDerWaalsContact CD1-CE2 3.41Å; Y242-Y245 AromaticContact CE1-CE2 3.94Å; Y242-Y245 HydrophobicContact CE1-CE2 3.94Å; Y242-Y245 HydrophobicContact CG-CD2 4.33Å; Y242-Y245 HydrophobicContact CG-CE2 4.2Å; Y242-Y245 WeakPolarHBondContact O-CD2 3.31Å; Y242-Y245 PolarHBondContact O-N 2.67Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.45Å
243L98.9Very high98.5Very high0 Ų032.9 Ų32.90%018%0.176CC..Hα-helixtrans-58.7-19.5173.4-74.5166000112.7F180 G181 W182 V230 P239 N240 T241 Y245 Y246 L247F180-L243 HydrophobicContact CD1-CD2 3.8Å; F180-L243 HydrophobicContact CD2-CD2 3.8Å; F180-L243 HydrophobicContact CE1-CD2 3.78Å; F180-L243 HydrophobicContact CE2-CD2 3.79Å; F180-L243 HydrophobicContact CG-CD2 3.81Å; F180-L243 HydrophobicContact CZ-CD2 3.77Å; G181-L243 WeakPolarHBondContact O-CD1 3.4Å; W182-L243 HydrophobicContact CD2-CD1 4.14Å; W182-L243 VanDerWaalsContact CE2-CD1 3.42Å; W182-L243 HydrophobicContact CH2-CD1 4.34Å; W182-L243 HydrophobicContact CH2-CD2 4.05Å; W182-L243 HydrophobicContact CZ2-CD1 3.55Å; W182-L243 HydrophobicContact CZ2-CD2 3.75Å; W182-L243 HydrophobicContact CZ2-CG 4.33Å; V230-L243 HydrophobicContact CG1-CB 3.63Å; V230-L243 HydrophobicContact CG1-CD1 4.42Å; P239-L243 HydrophobicContact CB-CD1 3.7Å; N240-L243 WeakPolarHBondContact O-CB 3.49Å; N240-L243 PolarHBondContact O-N 3.19Å; N240-L243 VanDerWaalsContact O-N 3.12Å; T241-L243 PolarHBondContact O-N 3.13Å; L243-Y245 PolarHBondContact O-N 3.15Å; L243-Y246 PolarHBondContact O-N 2.88Å; L243-Y246 VanDerWaalsContact O-N 3.14Å; L243-L247 HydrophobicContact CB-CD1 4.24Å; L243-L247 WeakPolarHBondContact O-CB 3.5Å; L243-L247 WeakPolarHBondContact O-CG 3.3Å; L243-L247 PolarHBondContact O-N 2.96Å
244K98.7Very high98.4Very high13 Ų1336 Ų366%0.05719%0.188CC..Hα-helixtrans-57.4-36173.283.8173.6-169.7171.20112.7D222 T223 K226 V230 T241 Y242 Y246 F248 V252D222-K244 IonicContact OD2-NZ 3.21Å; T223-K244 HydrophobicContact CG2-CD 4.1Å; T223-K244 PolarHBondContact OG1-NZ 2.86Å; K226-K244 HydrophobicContact CB-CD 4.25Å; K226-K244 HydrophobicContact CG-CB 4.12Å; K226-K244 HydrophobicContact CG-CD 4.22Å; V230-K244 HydrophobicContact CG2-CB 3.94Å; T241-K244 WeakPolarHBondContact O-CG 3.26Å; T241-K244 PolarHBondContact O-N 3.31Å; Y242-K244 PolarHBondContact O-N 2.69Å; K244-Y246 PolarHBondContact O-N 2.77Å; K244-F248 CarbonylContact O-C 3.59Å; K244-F248 WeakPolarHBondContact O-CA 3.44Å; K244-F248 PolarHBondContact O-N 3.05Å; K244-V252 HydrophobicContact CG-CG2 4.36Å
245Y98.8Very high98.4Very high23 Ų2340.8 Ų40.89%0.0921%0.208CC..Hα-helixtrans-68.3-27.1-178.2-61-67.1000112.1V85 Q87 C90 Y242 L243 P249 V252V85-Y245 HydrophobicContact CG1-CD1 3.81Å; V85-Y245 HydrophobicContact CG1-CG 4.46Å; Q87-Y245 HydrophobicContact CB-CE1 4.44Å; Q87-Y245 HydrophobicContact CG-CD1 4.13Å; Q87-Y245 HydrophobicContact CG-CD2 4.42Å; Q87-Y245 HydrophobicContact CG-CE1 3.67Å; Q87-Y245 HydrophobicContact CG-CE2 4.01Å; Q87-Y245 HydrophobicContact CG-CG 4.5Å; C90-Y245 HydrophobicContact CB-CD2 4.17Å; C90-Y245 HydrophobicContact CB-CG 4.2Å; Y242-Y245 AromaticContact CD1-CD2 3.64Å; Y242-Y245 HydrophobicContact CD1-CD2 3.64Å; Y242-Y245 AromaticContact CD1-CE2 3.41Å; Y242-Y245 HydrophobicContact CD1-CE2 3.41Å; Y242-Y245 VanDerWaalsContact CD1-CE2 3.41Å; Y242-Y245 AromaticContact CE1-CE2 3.94Å; Y242-Y245 HydrophobicContact CE1-CE2 3.94Å; Y242-Y245 HydrophobicContact CG-CD2 4.33Å; Y242-Y245 HydrophobicContact CG-CE2 4.2Å; Y242-Y245 WeakPolarHBondContact O-CD2 3.31Å; Y242-Y245 PolarHBondContact O-N 2.67Å; L243-Y245 PolarHBondContact O-N 3.15Å; Y245-P249 WeakPolarHBondContact O-CB 3.48Å; Y245-V252 HydrophobicContact CD1-CB 4.39Å; Y245-V252 HydrophobicContact CD1-CG1 3.86Å; Y245-V252 HydrophobicContact CD1-CG2 3.84Å; Y245-V252 HydrophobicContact CE1-CG1 3.95Å; Y245-V252 HydrophobicContact CE1-CG2 4.19Å
246Y98.9Very high98.3Very high8 Ų839.1 Ų39.13%0.03120%0.198CC..Hα-helixtrans-97.6-32.2-177.1-59-84.9000112.6C90 F180 Y242 L243 K244 K392 T393C90-Y246 HydrophobicContact CB-CE2 4.21Å; C90-Y246 PolarHBondContact SG-OH 2.89Å; C90-Y246 VanDerWaalsContact SG-OH 3.36Å; F180-Y246 HydrophobicContact CD2-CD1 4.43Å; F180-Y246 AromaticContact CD2-CD2 3.59Å; F180-Y246 HydrophobicContact CD2-CD2 3.59Å; F180-Y246 HydrophobicContact CD2-CE1 4.39Å; F180-Y246 AromaticContact CD2-CE2 3.54Å; F180-Y246 HydrophobicContact CD2-CE2 3.54Å; F180-Y246 HydrophobicContact CD2-CG 4.05Å; F180-Y246 AromaticContact CD2-CZ 3.96Å; F180-Y246 AromaticContact CE2-CD1 3.79Å; F180-Y246 HydrophobicContact CE2-CD1 3.79Å; F180-Y246 AromaticContact CE2-CD2 3.48Å; F180-Y246 HydrophobicContact CE2-CD2 3.48Å; F180-Y246 VanDerWaalsContact CE2-CD2 3.48Å; F180-Y246 HydrophobicContact CE2-CE1 4.12Å; F180-Y246 AromaticContact CE2-CE2 3.84Å; F180-Y246 HydrophobicContact CE2-CE2 3.84Å; F180-Y246 AromaticContact CE2-CG 3.45Å; F180-Y246 HydrophobicContact CE2-CG 3.45Å; F180-Y246 VanDerWaalsContact CE2-CG 3.45Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.45Å; L243-Y246 PolarHBondContact O-N 2.88Å; L243-Y246 VanDerWaalsContact O-N 3.14Å; K244-Y246 PolarHBondContact O-N 2.77Å; Y246-K392 HydrophobicContact CD1-CB 4.34Å; Y246-K392 VanDerWaalsContact O-CD 3.25Å; Y246-K392 WeakPolarHBondContact O-CD 3.25Å; Y246-K392 WeakPolarHBondContact O-CE 3.48Å; Y246-K392 WeakPolarHBondContact O-CG 3.47Å; Y246-T393 HydrophobicContact CD1-CG2 3.99Å; Y246-T393 HydrophobicContact CE1-CG2 4.17Å
247L98.8Very high98.3Very high29 Ų2937.4 Ų37.415%0.15219%0.189CC..Hα-helixtrans-93.8-24.4-177.8-57.3-178.3000112.9V230 L233 L243 P249 F357 L361V230-L247 HydrophobicContact CG1-CD1 3.9Å; L233-L247 HydrophobicContact CD1-CB 4.07Å; L233-L247 HydrophobicContact CD1-CD1 3.51Å; L233-L247 HydrophobicContact CD1-CD2 4.35Å; L233-L247 HydrophobicContact CD1-CG 4.17Å; L243-L247 HydrophobicContact CB-CD1 4.24Å; L243-L247 WeakPolarHBondContact O-CB 3.5Å; L243-L247 WeakPolarHBondContact O-CG 3.3Å; L243-L247 PolarHBondContact O-N 2.96Å; L247-P249 VanDerWaalsContact C-CD 3.45Å; L247-F357 HydrophobicContact CD2-CZ 4.42Å; L247-L361 HydrophobicContact CD2-CD1 3.96Å; L247-L361 HydrophobicContact CD2-CD2 4.04Å
248F98.7Very high98.1Very high48 Ų4839.2 Ų39.221%0.21120%0.201CC..  trans-133.852177.1-55.2-81.8000112.2D229 V230 K244 D250 Y251 V252D229-F248 HydrophobicContact CB-CE1 4.4Å; D229-F248 HydrophobicContact CB-CE2 3.91Å; D229-F248 HydrophobicContact CB-CZ 3.72Å; V230-F248 HydrophobicContact CB-CE2 4.4Å; V230-F248 HydrophobicContact CG2-CD2 3.97Å; V230-F248 HydrophobicContact CG2-CE2 3.76Å; K244-F248 CarbonylContact O-C 3.59Å; K244-F248 WeakPolarHBondContact O-CA 3.44Å; K244-F248 PolarHBondContact O-N 3.05Å; F248-D250 VanDerWaalsContact C-N 3.27Å; F248-D250 PolarHBondContact O-N 3.3Å; F248-Y251 PolarHBondContact O-N 3.04Å; F248-V252 PolarHBondContact O-N 3.36Å; F248-V252 VanDerWaalsContact O-N 3.15Å
249P98.7Very high98Very high31 Ų3146 Ų4620%0.20123%0.232CC..Hα-helixtrans-61.5-36.3-178.124.8-33.2000112.6V85 Y245 L247 V252 V253V85-P249 HydrophobicContact CG2-CB 3.79Å; Y245-P249 WeakPolarHBondContact O-CB 3.48Å; L247-P249 VanDerWaalsContact C-CD 3.45Å; P249-V252 PolarHBondContact O-N 2.81Å; P249-V253 WeakPolarHBondContact O-CG2 3.4Å; P249-V253 PolarHBondContact O-N 3.02Å
250D98.3Very high98Very high117 Ų11748.8 Ų48.863%0.62625%0.245SC*.Hα-helixtrans-59.7-47.8175.957.2-19.3000112.3F248 V252 V253 Q254F248-D250 VanDerWaalsContact C-N 3.27Å; F248-D250 PolarHBondContact O-N 3.3Å; D250-V252 VanDerWaalsContact C-N 3.33Å; D250-V252 PolarHBondContact O-N 3.27Å; D250-V253 PolarHBondContact O-N 3.32Å; D250-Q254 WeakPolarHBondContact O-CB 3.17Å; D250-Q254 PolarHBondContact O-N 2.92Å
251Y98.2Very high97.9Very high49 Ų4949.2 Ų49.219%0.19225%0.248CC..Hα-helixtrans-58.4-45.7174.5173-93.8000111.3D222 K226 F248 Q254 H255D222-Y251 PolarHBondContact OD1-OH 2.69Å; K226-Y251 HydrophobicContact CD-CD1 4.11Å; K226-Y251 HydrophobicContact CD-CE1 3.78Å; K226-Y251 HydrophobicContact CG-CE1 4.22Å; F248-Y251 PolarHBondContact O-N 3.04Å; Y251-Q254 PolarHBondContact O-N 3.14Å; Y251-H255 AromaticContact CD2-CE1 3.42Å; Y251-H255 VanDerWaalsContact CD2-CE1 3.42Å; Y251-H255 WeakPolarHBondContact CD2-CE1 3.22Å; Y251-H255 AromaticContact CD2-ND1 3.52Å; Y251-H255 AromaticContact CE2-CE1 3.2Å; Y251-H255 WeakPolarHBondContact CE2-CE1 3.44Å; Y251-H255 AromaticContact CE2-ND1 3.46Å; Y251-H255 WeakPolarHBondContact CE2-ND1 3.04Å; Y251-H255 AromaticContact CE2-NE2 3.63Å; Y251-H255 AromaticContact CG-ND1 3.99Å; Y251-H255 AromaticContact CZ-CE1 3.96Å; Y251-H255 AromaticContact CZ-ND1 3.87Å; Y251-H255 PolarHBondContact O-N 3.33Å; Y251-H255 VanDerWaalsContact O-N 3.08Å; Y251-H255 PolarHBondContact O-ND1 3.29Å
252V98.3Very high97.8Very high13 Ų1351.2 Ų51.28%0.07926%0.255CS..Hα-helixtrans-62.5-47.4-179.8172.50000110.9V85 K244 Y245 F248 P249 D250 Q254 H255 S256V85-V252 HydrophobicContact CG1-CG1 4.08Å; V85-V252 HydrophobicContact CG2-CB 4.14Å; V85-V252 HydrophobicContact CG2-CG1 4.1Å; K244-V252 HydrophobicContact CG-CG2 4.36Å; Y245-V252 HydrophobicContact CD1-CB 4.39Å; Y245-V252 HydrophobicContact CD1-CG1 3.86Å; Y245-V252 HydrophobicContact CD1-CG2 3.84Å; Y245-V252 HydrophobicContact CE1-CG1 3.95Å; Y245-V252 HydrophobicContact CE1-CG2 4.19Å; F248-V252 PolarHBondContact O-N 3.36Å; F248-V252 VanDerWaalsContact O-N 3.15Å; P249-V252 PolarHBondContact O-N 2.81Å; D250-V252 VanDerWaalsContact C-N 3.33Å; D250-V252 PolarHBondContact O-N 3.27Å; V252-Q254 VanDerWaalsContact C-N 3.34Å; V252-Q254 PolarHBondContact O-N 3.24Å; V252-H255 PolarHBondContact O-N 2.7Å; V252-S256 WeakPolarHBondContact O-CB 3.3Å; V252-S256 PolarHBondContact O-N 2.79Å; V252-S256 VanDerWaalsContact O-N 3.07Å; V252-S256 PolarHBondContact O-OG 3.36Å
253V98.2Very high97.7Very high37 Ų3750.7 Ų50.722%0.22425%0.253CS..Hα-helixtrans-60.7-44.9178.5172.10000110.7V84 V85 P249 D250 H255 S256V84-V253 VanDerWaalsContact C-CG2 3.43Å; V85-V253 HydrophobicContact CG2-CG2 4.01Å; P249-V253 WeakPolarHBondContact O-CG2 3.4Å; P249-V253 PolarHBondContact O-N 3.02Å; D250-V253 PolarHBondContact O-N 3.32Å; V253-H255 VanDerWaalsContact C-N 3.27Å; V253-H255 PolarHBondContact O-N 3.3Å; V253-S256 PolarHBondContact O-N 3.35Å
254Q97.4Very high97.6Very high153 Ų15351.5 Ų51.572%0.71526%0.258SS*.Hα-helixtrans-62.4-32.7-180-174.1-17912.500113.3D250 Y251 V252D250-Q254 WeakPolarHBondContact O-CB 3.17Å; D250-Q254 PolarHBondContact O-N 2.92Å; Y251-Q254 PolarHBondContact O-N 3.14Å; V252-Q254 VanDerWaalsContact C-N 3.34Å; V252-Q254 PolarHBondContact O-N 3.24Å
255H96.5Very high97.4Very high115 Ų11553.7 Ų53.753%0.53227%0.268SS..THydrogen-bonded Turntrans-98.37.7-178.7-64.675.4000113.1Y251 V252 V253Y251-H255 AromaticContact CD2-CE1 3.42Å; Y251-H255 VanDerWaalsContact CD2-CE1 3.42Å; Y251-H255 WeakPolarHBondContact CD2-CE1 3.22Å; Y251-H255 AromaticContact CD2-ND1 3.52Å; Y251-H255 AromaticContact CE2-CE1 3.2Å; Y251-H255 WeakPolarHBondContact CE2-CE1 3.44Å; Y251-H255 AromaticContact CE2-ND1 3.46Å; Y251-H255 WeakPolarHBondContact CE2-ND1 3.04Å; Y251-H255 AromaticContact CE2-NE2 3.63Å; Y251-H255 AromaticContact CG-ND1 3.99Å; Y251-H255 AromaticContact CZ-CE1 3.96Å; Y251-H255 AromaticContact CZ-ND1 3.87Å; Y251-H255 PolarHBondContact O-N 3.33Å; Y251-H255 VanDerWaalsContact O-N 3.08Å; Y251-H255 PolarHBondContact O-ND1 3.29Å; V252-H255 PolarHBondContact O-N 2.7Å; V253-H255 VanDerWaalsContact C-N 3.27Å; V253-H255 PolarHBondContact O-N 3.3Å
256S96.1Very high97.2Very high38 Ų3852.9 Ų52.927%0.26627%0.266SS..  trans-92.3150.6174-64.10000110.8V252 V253V252-S256 WeakPolarHBondContact O-CB 3.3Å; V252-S256 PolarHBondContact O-N 2.79Å; V252-S256 VanDerWaalsContact O-N 3.07Å; V252-S256 PolarHBondContact O-OG 3.36Å; V253-S256 PolarHBondContact O-N 3.35Å
257N96.3Very high97.1Very high86 Ų8654.7 Ų54.746%0.4628%0.275SS..  trans-104.8109.2170.4-179.9-5.1000109.5E259 H260N257-E259 PolarHBondContact O-N 3.4Å; N257-E259 VanDerWaalsContact O-N 3.17Å; N257-E259 PolarHBondContact OD1-N 2.85Å; N257-H260 WeakPolarHBondContact CB-O 3.32Å; N257-H260 CarbonylContact O-C 3Å; N257-H260 PolarHBondContact O-N 3.32Å; N257-H260 PolarHBondContact OD1-N 2.97Å
258P96.3Very high96.9Very high50 Ų5058 Ų5833%0.32529%0.29SS..THydrogen-bonded Turntrans-62-21.6-178.9-23.734.6000114.6K77 L80K77-P258 WeakPolarHBondContact CG-O 3.37Å; L80-P258 HydrophobicContact CB-CB 4.18Å; L80-P258 HydrophobicContact CB-CG 4.35Å
259E96.7Very high96.5Very high141 Ų14160.4 Ų60.466%0.65930%0.301SS*.THydrogen-bonded Turntrans-92.1-21.2-179.4-60.5-54.6135.200112.9K77 N257K77-E259 WeakPolarHBondContact CE-O 3.32Å; K77-E259 PolarHBondContact NZ-O 3.36Å; N257-E259 PolarHBondContact O-N 3.4Å; N257-E259 VanDerWaalsContact O-N 3.17Å; N257-E259 PolarHBondContact OD1-N 2.85Å
260H97Very high96.1Very high60 Ų6065.1 Ų65.128%0.27832%0.315SS..SBendtrans-142.999.3-178.3-171.3-88.1000109.8N257 N264 E268N257-H260 WeakPolarHBondContact CB-O 3.32Å; N257-H260 CarbonylContact O-C 3Å; N257-H260 PolarHBondContact O-N 3.32Å; N257-H260 PolarHBondContact OD1-N 2.97Å; H260-N264 WeakPolarHBondContact CA-OD1 3.27Å; H260-E268 IonicContact CD2-OE1 3.46Å; H260-E268 PolarHBondContact CD2-OE1 3.44Å; H260-E268 IonicContact CE1-OE2 2.71Å; H260-E268 IonicContact NE2-OE1 3.59Å; H260-E268 PolarHBondContact NE2-OE1 3.3Å; H260-E268 IonicContact NE2-OE2 3.18Å; H260-E268 PolarHBondContact NE2-OE2 2.92Å
261T97.3Very high95.8Very high9 Ų961.5 Ų61.56%0.05529%0.294CS..  trans-103.3-178.9-173.868.40000111.4E76 K77 L80 A263 N264 E265E76-T261 HydrophobicContact CB-CG2 3.9Å; E76-T261 WeakPolarHBondContact OE2-CB 3.26Å; E76-T261 PolarHBondContact OE2-OG1 3.35Å; K77-T261 HydrophobicContact CG-CG2 3.6Å; L80-T261 HydrophobicContact CD1-CG2 3.86Å; T261-A263 PolarHBondContact O-N 2.95Å; T261-N264 PolarHBondContact N-OD1 3.44Å; T261-N264 WeakPolarHBondContact O-CA 3.34Å; T261-N264 WeakPolarHBondContact O-CB 3.45Å; T261-N264 PolarHBondContact O-N 3.45Å; T261-N264 PolarHBondContact OG1-OD1 3.16Å; T261-E265 PolarHBondContact O-N 3.22Å; T261-E265 VanDerWaalsContact O-N 3.13Å
262R96Very high95.5Very high45 Ų4565.2 Ų65.217%0.1731%0.312CS..Hα-helixtrans-59-35.1179.7-178.957.5-178163.74.6112.5E76 E217 S219 N264 E265 V266E76-R262 PolarHBondContact OE2-N 3.02Å; E76-R262 VanDerWaalsContact OE2-N 3.13Å; E217-R262 IonicContact OE1-CZ 2.76Å; E217-R262 IonicContact OE1-NH2 3.44Å; E217-R262 PolarHBondContact OE1-NH2 2.85Å; E217-R262 IonicContact OE2-CZ 3.5Å; E217-R262 IonicContact OE2-NH1 3.13Å; E217-R262 PolarHBondContact OE2-NH1 3.18Å; E217-R262 IonicContact OE2-NH2 3.81Å; E217-R262 PolarHBondContact OE2-NH2 2.52Å; S219-R262 PolarHBondContact OG-NH1 3.29Å; R262-N264 VanDerWaalsContact C-N 3.3Å; R262-N264 PolarHBondContact O-N 3.47Å; R262-E265 WeakPolarHBondContact CD-OE2 3.3Å; R262-E265 IonicContact CZ-OE2 2.8Å; R262-E265 IonicContact NE-OE2 3.51Å; R262-E265 IonicContact NH1-OE2 3.62Å; R262-E265 PolarHBondContact NH1-OE2 3.26Å; R262-E265 PolarHBondContact O-N 3.36Å; R262-V266 HydrophobicContact CG-CG2 4.41Å; R262-V266 VanDerWaalsContact O-CG2 3.26Å; R262-V266 WeakPolarHBondContact O-CG2 3.37Å; R262-V266 PolarHBondContact O-N 3.06Å
263A97.2Very high95.4Very high0 Ų070.8 Ų70.80%034%0.337CS..Hα-helixtrans-58.7-41.9173.300000111.8R72 E73 E76 T261 V266 M267R72-A263 HydrophobicContact CB-CB 4.23Å; R72-A263 HydrophobicContact CG-CB 3.97Å; E73-A263 HydrophobicContact CB-CB 3.87Å; E76-A263 VanDerWaalsContact OE2-CB 3.32Å; E76-A263 WeakPolarHBondContact OE2-CB 3.28Å; E76-A263 PolarHBondContact OE2-N 2.93Å; T261-A263 PolarHBondContact O-N 2.95Å; A263-V266 PolarHBondContact O-N 3.47Å; A263-M267 HydrophobicContact CB-CE 4.31Å; A263-M267 WeakPolarHBondContact O-CB 3.48Å; A263-M267 WeakPolarHBondContact O-CE 3.41Å; A263-M267 VanDerWaalsContact O-CG 3.31Å; A263-M267 WeakPolarHBondContact O-CG 3.06Å; A263-M267 PolarHBondContact O-N 2.77Å
264N97.6Very high95.2Very high17 Ų1771.7 Ų71.79%0.09134%0.342CS..Hα-helixtrans-64-47.2176.4-60.1118.3000111.2E73 K77 H260 T261 R262 V266 M267 E268E73-N264 VanDerWaalsContact CD-ND2 3.33Å; E73-N264 PolarHBondContact OE1-ND2 3.32Å; K77-N264 WeakPolarHBondContact CE-OD1 3.33Å; K77-N264 PolarHBondContact NZ-OD1 2.92Å; H260-N264 WeakPolarHBondContact CA-OD1 3.27Å; T261-N264 PolarHBondContact N-OD1 3.44Å; T261-N264 WeakPolarHBondContact O-CA 3.34Å; T261-N264 WeakPolarHBondContact O-CB 3.45Å; T261-N264 PolarHBondContact O-N 3.45Å; T261-N264 PolarHBondContact OG1-OD1 3.16Å; R262-N264 VanDerWaalsContact C-N 3.3Å; R262-N264 PolarHBondContact O-N 3.47Å; N264-V266 VanDerWaalsContact C-N 3.26Å; N264-V266 PolarHBondContact O-N 3.41Å; N264-M267 PolarHBondContact O-N 3.13Å; N264-E268 WeakPolarHBondContact O-CB 3.28Å; N264-E268 VanDerWaalsContact O-CG 3.25Å; N264-E268 WeakPolarHBondContact O-CG 3.29Å; N264-E268 PolarHBondContact O-N 2.82Å
265E95Very high95.2Very high58 Ų5865.5 Ų65.527%0.27131%0.313SS..Hα-helixtrans-53.7-44.9175.1-64.3175.3173.100111.7T261 R262 H269T261-E265 PolarHBondContact O-N 3.22Å; T261-E265 VanDerWaalsContact O-N 3.13Å; R262-E265 WeakPolarHBondContact CD-OE2 3.3Å; R262-E265 IonicContact CZ-OE2 2.8Å; R262-E265 IonicContact NE-OE2 3.51Å; R262-E265 IonicContact NH1-OE2 3.62Å; R262-E265 PolarHBondContact NH1-OE2 3.26Å; R262-E265 PolarHBondContact O-N 3.36Å; E265-H269 WeakPolarHBondContact O-CB 3.41Å; E265-H269 PolarHBondContact O-N 3.47Å; E265-H269 VanDerWaalsContact O-N 3.08Å; E265-H269 PolarHBondContact O-ND1 2.94Å
266V94.4Very high95.3Very high7 Ų763.5 Ų63.54%0.04231%0.306CS..Hα-helixtrans-70.3-39.8-178.2177.30000112.2Y69 R262 A263 N264 R270 E271Y69-V266 HydrophobicContact CD1-CB 4.4Å; Y69-V266 HydrophobicContact CD1-CG1 4.11Å; Y69-V266 HydrophobicContact CE1-CB 3.92Å; Y69-V266 HydrophobicContact CE1-CG1 3.3Å; Y69-V266 HydrophobicContact CE2-CG1 4Å; Y69-V266 VanDerWaalsContact OH-CG1 3.23Å; Y69-V266 WeakPolarHBondContact OH-CG1 3.46Å; R262-V266 HydrophobicContact CG-CG2 4.41Å; R262-V266 VanDerWaalsContact O-CG2 3.26Å; R262-V266 WeakPolarHBondContact O-CG2 3.37Å; R262-V266 PolarHBondContact O-N 3.06Å; A263-V266 PolarHBondContact O-N 3.47Å; N264-V266 VanDerWaalsContact C-N 3.26Å; N264-V266 PolarHBondContact O-N 3.41Å; V266-R270 HydrophobicContact CG1-CB 4.21Å; V266-R270 PolarHBondContact O-N 3.24Å; V266-R270 VanDerWaalsContact O-N 3.15Å; V266-E271 PolarHBondContact O-N 3.47Å
267M95.5Very high95.3Very high45 Ų4562.2 Ų62.222%0.22230%0.298CS..Iπ-helixtrans-64.7-41.3175.6-73.7-172.7-76.900111.9Y69 E73 A263 N264 E271Y69-M267 VanDerWaalsContact CB-CG 3.46Å; Y69-M267 VanDerWaalsContact CB-SD 3.56Å; Y69-M267 HydrophobicContact CD2-CG 4.32Å; Y69-M267 HydrophobicContact CG-CG 3.87Å; E73-M267 HydrophobicContact CB-CE 4.2Å; A263-M267 HydrophobicContact CB-CE 4.31Å; A263-M267 WeakPolarHBondContact O-CB 3.48Å; A263-M267 WeakPolarHBondContact O-CE 3.41Å; A263-M267 VanDerWaalsContact O-CG 3.31Å; A263-M267 WeakPolarHBondContact O-CG 3.06Å; A263-M267 PolarHBondContact O-N 2.77Å; N264-M267 PolarHBondContact O-N 3.13Å; M267-E271 WeakPolarHBondContact CG-OE2 3.26Å
268E94.5Very high95.4Very high99 Ų9958.2 Ų58.246%0.46328%0.276SS..Iπ-helixtrans-71.6-32.2-178.5-72.2166.5-17600113.2H260 N264H260-E268 IonicContact CD2-OE1 3.46Å; H260-E268 PolarHBondContact CD2-OE1 3.44Å; H260-E268 IonicContact CE1-OE2 2.71Å; H260-E268 IonicContact NE2-OE1 3.59Å; H260-E268 PolarHBondContact NE2-OE1 3.3Å; H260-E268 IonicContact NE2-OE2 3.18Å; H260-E268 PolarHBondContact NE2-OE2 2.92Å; N264-E268 WeakPolarHBondContact O-CB 3.28Å; N264-E268 VanDerWaalsContact O-CG 3.25Å; N264-E268 WeakPolarHBondContact O-CG 3.29Å; N264-E268 PolarHBondContact O-N 2.82Å
269H91.3Very high95.5Very high99 Ų9961.2 Ų61.246%0.45828%0.281SS..Iπ-helixtrans-108.8-87.5-175.6-5882000111.2E265 E271 K272 Q273E265-H269 WeakPolarHBondContact O-CB 3.41Å; E265-H269 PolarHBondContact O-N 3.47Å; E265-H269 VanDerWaalsContact O-N 3.08Å; E265-H269 PolarHBondContact O-ND1 2.94Å; H269-E271 PolarHBondContact O-N 3.15Å; H269-K272 PolarHBondContact O-N 3.29Å; H269-Q273 WeakPolarHBondContact O-CB 3.13Å; H269-Q273 VanDerWaalsContact O-CG 3.3Å; H269-Q273 WeakPolarHBondContact O-CG 3.44Å; H269-Q273 PolarHBondContact O-N 2.99Å
270R90.7Very high95.6Very high130 Ų13056.3 Ų56.349%0.49127%0.265SS..Iπ-helixtrans-55.5-47.8-167.8-178.7-176.2-66.5-126.4-0.9112.5E217 V266 Q273 V274E217-R270 IonicContact OE1-NH2 2.92Å; V266-R270 HydrophobicContact CG1-CB 4.21Å; V266-R270 PolarHBondContact O-N 3.24Å; V266-R270 VanDerWaalsContact O-N 3.15Å; R270-Q273 PolarHBondContact O-N 3.15Å; R270-V274 HydrophobicContact CG-CG2 4.37Å; R270-V274 WeakPolarHBondContact O-CB 3.21Å; R270-V274 VanDerWaalsContact O-CG2 3.3Å; R270-V274 WeakPolarHBondContact O-CG2 3.49Å; R270-V274 PolarHBondContact O-N 3.1Å
271E90.7Very high95.6Very high40 Ų4053.5 Ų53.519%0.18725%0.252CS..Iπ-helixtrans-61-51.1-179.3-177.2165.4-137.800110.7R23 Y69 V266 M267 H269 Q273 F275R23-E271 IonicContact CZ-OE1 2.76Å; R23-E271 IonicContact NH1-OE1 3.79Å; R23-E271 PolarHBondContact NH1-OE1 3.19Å; R23-E271 IonicContact NH2-OE1 2.7Å; R23-E271 PolarHBondContact NH2-OE1 3.48Å; Y69-E271 WeakPolarHBondContact CD2-OE2 3.22Å; V266-E271 PolarHBondContact O-N 3.47Å; M267-E271 WeakPolarHBondContact CG-OE2 3.26Å; H269-E271 PolarHBondContact O-N 3.15Å; E271-Q273 PolarHBondContact O-N 3.46Å; E271-F275 HydrophobicContact CG-CD2 4.01Å; E271-F275 HydrophobicContact CG-CE2 4.18Å; E271-F275 WeakPolarHBondContact O-CB 3.36Å; E271-F275 VanDerWaalsContact O-CD2 3.24Å; E271-F275 WeakPolarHBondContact O-CD2 3.14Å; E271-F275 PolarHBondContact O-N 2.76Å; E271-F275 VanDerWaalsContact O-N 3.09Å
272K93.3Very high95.7Very high128 Ų12855.7 Ų55.756%0.55727%0.265SS*.Hα-helixtrans-59.2-48.9178.1-170.7175.8-177.8-178.30112.4H269 V274 F275 D276H269-K272 PolarHBondContact O-N 3.29Å; K272-V274 PolarHBondContact O-N 3.29Å; K272-F275 PolarHBondContact O-N 3.37Å; K272-D276 WeakPolarHBondContact CG-OD2 3.07Å; K272-D276 VanDerWaalsContact O-CB 3.26Å; K272-D276 WeakPolarHBondContact O-CB 3.48Å; K272-D276 VanDerWaalsContact O-CG 3.23Å; K272-D276 PolarHBondContact O-N 2.81Å
273Q94.4Very high95.8Very high130 Ų13058 Ų5861%0.60729%0.294SS*.Hα-helixtrans-60.6-45.7-177.7-73.6175.2-10.800112.6H269 R270 E271 A277H269-Q273 WeakPolarHBondContact O-CB 3.13Å; H269-Q273 VanDerWaalsContact O-CG 3.3Å; H269-Q273 WeakPolarHBondContact O-CG 3.44Å; H269-Q273 PolarHBondContact O-N 2.99Å; R270-Q273 PolarHBondContact O-N 3.15Å; E271-Q273 PolarHBondContact O-N 3.46Å; Q273-A277 VanDerWaalsContact O-CB 3.28Å; Q273-A277 WeakPolarHBondContact O-CB 3.24Å; Q273-A277 PolarHBondContact O-N 3.35Å
274V95.9Very high95.8Very high56 Ų5660.6 Ų60.634%0.33932%0.316SS..Hα-helixtrans-66.7-47.1179.8172.30000110.5I27 R270 K272 D276 A277 C278 L292I27-V274 HydrophobicContact CD1-CG1 4.2Å; R270-V274 HydrophobicContact CG-CG2 4.37Å; R270-V274 WeakPolarHBondContact O-CB 3.21Å; R270-V274 VanDerWaalsContact O-CG2 3.3Å; R270-V274 WeakPolarHBondContact O-CG2 3.49Å; R270-V274 PolarHBondContact O-N 3.1Å; K272-V274 PolarHBondContact O-N 3.29Å; V274-D276 PolarHBondContact O-N 2.86Å; V274-A277 PolarHBondContact O-N 3.24Å; V274-C278 WeakPolarHBondContact O-CB 3.34Å; V274-C278 PolarHBondContact O-N 2.97Å; V274-C278 PolarHBondContact O-SG 3Å; V274-L292 HydrophobicContact CG1-CD2 4.47Å
275F97.2Very high95.8Very high23 Ų2362.2 Ų62.210%0.10134%0.336CS..Hα-helixtrans-66.3-37.2179.8-84.8-95.4000112.5R23 V26 I27 E271 K272 C278 R279R23-F275 HydrophobicContact CG-CE1 3.9Å; R23-F275 HydrophobicContact CG-CZ 3.54Å; R23-F275 VanDerWaalsContact CZ-CZ 3.45Å; V26-F275 HydrophobicContact CB-CD1 4Å; V26-F275 HydrophobicContact CB-CE1 4.1Å; V26-F275 HydrophobicContact CG1-CD1 3.74Å; V26-F275 HydrophobicContact CG1-CE1 4.32Å; V26-F275 HydrophobicContact CG2-CD1 4.47Å; I27-F275 HydrophobicContact CD1-CD1 4.23Å; I27-F275 HydrophobicContact CD1-CD2 4.34Å; I27-F275 HydrophobicContact CD1-CE1 3.95Å; I27-F275 HydrophobicContact CD1-CE2 4.1Å; I27-F275 HydrophobicContact CD1-CG 4.41Å; I27-F275 HydrophobicContact CD1-CZ 3.87Å; I27-F275 HydrophobicContact CG1-CE1 4.17Å; I27-F275 HydrophobicContact CG1-CZ 4.06Å; E271-F275 HydrophobicContact CG-CD2 4.01Å; E271-F275 HydrophobicContact CG-CE2 4.18Å; E271-F275 WeakPolarHBondContact O-CB 3.36Å; E271-F275 VanDerWaalsContact O-CD2 3.24Å; E271-F275 WeakPolarHBondContact O-CD2 3.14Å; E271-F275 PolarHBondContact O-N 2.76Å; E271-F275 VanDerWaalsContact O-N 3.09Å; K272-F275 PolarHBondContact O-N 3.37Å; F275-C278 PolarHBondContact O-N 3.18Å; F275-R279 WeakPolarHBondContact O-CB 3.45Å; F275-R279 WeakPolarHBondContact O-CG 3.5Å; F275-R279 PolarHBondContact O-N 3.36Å; F275-R279 PolarHBondContact O-NE 2.81Å
276D97.1Very high95.9Very high72 Ų7262.3 Ų62.339%0.38534%0.338SS..Hα-helixtrans-65.2-43.3173.7-74.7-17.7000111.4K272 V274 R279 A280K272-D276 WeakPolarHBondContact CG-OD2 3.07Å; K272-D276 VanDerWaalsContact O-CB 3.26Å; K272-D276 WeakPolarHBondContact O-CB 3.48Å; K272-D276 VanDerWaalsContact O-CG 3.23Å; K272-D276 PolarHBondContact O-N 2.81Å; V274-D276 PolarHBondContact O-N 2.86Å; D276-R279 PolarHBondContact O-N 3.36Å; D276-R279 IonicContact OD1-CZ 3.06Å; D276-R279 IonicContact OD1-NE 3.62Å; D276-R279 IonicContact OD1-NH2 3.43Å; D276-R279 PolarHBondContact OD1-NH2 3.05Å; D276-A280 WeakPolarHBondContact O-CB 3.28Å; D276-A280 PolarHBondContact O-N 3.41Å
277A97.5Very high95.9Very high11 Ų1163.3 Ų63.39%0.09135%0.346CS..Hα-helixtrans-62.4-43.8175.300000111.9Q273 V274 R279 A280 I281 L292Q273-A277 VanDerWaalsContact O-CB 3.28Å; Q273-A277 WeakPolarHBondContact O-CB 3.24Å; Q273-A277 PolarHBondContact O-N 3.35Å; V274-A277 PolarHBondContact O-N 3.24Å; A277-R279 PolarHBondContact O-N 3.42Å; A277-A280 PolarHBondContact O-N 3.25Å; A277-I281 VanDerWaalsContact O-CG1 3.3Å; A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 2.92Å; A277-L292 HydrophobicContact CB-CD2 3.95Å; A277-L292 HydrophobicContact CB-CG 4.18Å
278C98.2Very high95.9Very high2 Ų265.5 Ų65.51%0.01437%0.371CS..Hα-helixtrans-62-42.6176.3-73.40000112.2V26 I27 A30 V274 F275 I281 T282V26-C278 HydrophobicContact CG1-CB 4.03Å; V26-C278 WeakPolarHBondContact O-CB 3.42Å; I27-C278 HydrophobicContact CD1-CB 4.32Å; A30-C278 HydrophobicContact CB-CB 3.61Å; A30-C278 WeakPolarHBondContact CB-O 3.23Å; V274-C278 WeakPolarHBondContact O-CB 3.34Å; V274-C278 PolarHBondContact O-N 2.97Å; V274-C278 PolarHBondContact O-SG 3Å; F275-C278 PolarHBondContact O-N 3.18Å; C278-I281 PolarHBondContact O-N 3.25Å; C278-T282 WeakPolarHBondContact O-CB 3.31Å; C278-T282 PolarHBondContact O-N 2.95Å; C278-T282 PolarHBondContact O-OG1 3.08Å
279R98.3Very high95.9Very high114 Ų11463 Ų6343%0.4337%0.367SS..Hα-helixtrans-61.2-43.6173.6-78.1-175.4-78.2-90.83.4111.8V26 F275 D276 A277 T282 A283V26-R279 HydrophobicContact CG1-CG 3.87Å; F275-R279 WeakPolarHBondContact O-CB 3.45Å; F275-R279 WeakPolarHBondContact O-CG 3.5Å; F275-R279 PolarHBondContact O-N 3.36Å; F275-R279 PolarHBondContact O-NE 2.81Å; D276-R279 PolarHBondContact O-N 3.36Å; D276-R279 IonicContact OD1-CZ 3.06Å; D276-R279 IonicContact OD1-NE 3.62Å; D276-R279 IonicContact OD1-NH2 3.43Å; D276-R279 PolarHBondContact OD1-NH2 3.05Å; A277-R279 PolarHBondContact O-N 3.42Å; R279-T282 PolarHBondContact O-N 3.46Å; R279-A283 VanDerWaalsContact O-CB 3.31Å; R279-A283 WeakPolarHBondContact O-CB 3.39Å; R279-A283 PolarHBondContact O-N 3.12Å
280A98.2Very high95.9Very high38 Ų3858.8 Ų58.831%0.31435%0.351SS..Hα-helixtrans-63-44.7178.300000112.2D276 A277 T282 A283 A284D276-A280 WeakPolarHBondContact O-CB 3.28Å; D276-A280 PolarHBondContact O-N 3.41Å; A277-A280 PolarHBondContact O-N 3.25Å; A280-T282 PolarHBondContact O-N 3.2Å; A280-A283 PolarHBondContact O-N 3.32Å; A280-A284 VanDerWaalsContact O-CB 3.26Å; A280-A284 WeakPolarHBondContact O-CB 3.46Å; A280-A284 PolarHBondContact O-N 3.41Å
281I98.4Very high95.8Very high1 Ų162.2 Ų62.21%0.00537%0.369CS..Hα-helixtrans-58.6-48.3175.8-70.4166.6000110.9A30 V33 I34 A277 C278 A284 G285 N286 L292A30-I281 HydrophobicContact CB-CB 4.21Å; A30-I281 HydrophobicContact CB-CG2 4.12Å; V33-I281 HydrophobicContact CB-CG2 3.83Å; V33-I281 HydrophobicContact CG1-CG2 3.81Å; V33-I281 HydrophobicContact CG2-CG2 4.35Å; I34-I281 HydrophobicContact CD1-CD1 4.31Å; A277-I281 VanDerWaalsContact O-CG1 3.3Å; A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 2.92Å; C278-I281 PolarHBondContact O-N 3.25Å; I281-A284 PolarHBondContact O-N 2.7Å; I281-G285 WeakPolarHBondContact O-CA 3.49Å; I281-G285 PolarHBondContact O-N 3.45Å; I281-N286 PolarHBondContact O-N 3.4Å; I281-L292 HydrophobicContact CD1-CD1 3.56Å; I281-L292 HydrophobicContact CD1-CG 4.01Å
282T97.9Very high95.7Very high55 Ų5563.6 Ų63.634%0.33738%0.377SS..Hα-helixtrans-64.8-46.2-178.1-54.10000111.1E29 A30 C278 R279 A280 A284 G285E29-T282 HydrophobicContact CB-CG2 3.85Å; A30-T282 PolarHBondContact N-OG1 2.75Å; C278-T282 WeakPolarHBondContact O-CB 3.31Å; C278-T282 PolarHBondContact O-N 2.95Å; C278-T282 PolarHBondContact O-OG1 3.08Å; R279-T282 PolarHBondContact O-N 3.46Å; A280-T282 PolarHBondContact O-N 3.2Å; T282-A284 PolarHBondContact O-N 3.48Å; T282-G285 PolarHBondContact O-N 3.27Å
283A98.1Very high95.4Very high94 Ų9465.2 Ų65.278%0.77739%0.387SS*.Hα-helixtrans-65.9-37.1-179.800000113.1R279 A280R279-A283 VanDerWaalsContact O-CB 3.31Å; R279-A283 WeakPolarHBondContact O-CB 3.39Å; R279-A283 PolarHBondContact O-N 3.12Å; A280-A283 PolarHBondContact O-N 3.32Å
284A98Very high94.8Very high54 Ų5463.7 Ų63.745%0.44638%0.382SS..Hα-helixtrans-85.1-15.1178.900000113.7A280 I281 T282 N286 A289A280-A284 VanDerWaalsContact O-CB 3.26Å; A280-A284 WeakPolarHBondContact O-CB 3.46Å; A280-A284 PolarHBondContact O-N 3.41Å; I281-A284 PolarHBondContact O-N 2.7Å; T282-A284 PolarHBondContact O-N 3.48Å; A284-N286 PolarHBondContact O-N 3.02Å; A284-N286 PolarHBondContact O-ND2 3.38Å; A284-A289 HydrophobicContact CB-CB 3.42Å; A284-A289 VanDerWaalsContact CB-CB 3.42Å
285G97.5Very high93.9Very high50 Ų5065 Ų6552%0.51539%0.387SS..THydrogen-bonded Turntrans66.520.1-177.900000114.5I281 T282I281-G285 WeakPolarHBondContact O-CA 3.49Å; I281-G285 PolarHBondContact O-N 3.45Å; T282-G285 PolarHBondContact O-N 3.27Å
286N96.5Very high92.7Very high61 Ų6171.3 Ų71.333%0.32642%0.417SS..SBendtrans-148.2148.4176.768.589.6000113.1E37 I281 A284 A288 A289E37-N286 WeakPolarHBondContact OE1-CA 3.43Å; E37-N286 VanDerWaalsContact OE1-CB 3.3Å; E37-N286 WeakPolarHBondContact OE1-CB 3.38Å; I281-N286 PolarHBondContact O-N 3.4Å; A284-N286 PolarHBondContact O-N 3.02Å; A284-N286 PolarHBondContact O-ND2 3.38Å; N286-A288 VanDerWaalsContact C-N 3.3Å; N286-A288 PolarHBondContact O-N 3.21Å; N286-A288 PolarHBondContact OD1-N 2.7Å; N286-A289 PolarHBondContact O-N 3.04Å; N286-A289 PolarHBondContact OD1-N 3.11Å
287S94.6Very high91.6Very high28 Ų2871.3 Ų71.320%0.19641%0.414CS..G310 helixtrans-68.4-25.9-173.865.30000114.3E37 A289 G290E37-S287 PolarHBondContact OE1-N 2.64Å; E37-S287 WeakPolarHBondContact OE2-CB 3.25Å; E37-S287 PolarHBondContact OE2-N 3.48Å; E37-S287 PolarHBondContact OE2-OG 2.84Å; S287-A289 PolarHBondContact O-N 2.86Å; S287-G290 PolarHBondContact O-N 2.81Å
288A94.8Very high90.9Very high91 Ų9171.4 Ų71.475%0.75242%0.415SS*.G310 helixtrans-67.2-16.3-178.700000113.5N286 G290N286-A288 VanDerWaalsContact C-N 3.3Å; N286-A288 PolarHBondContact O-N 3.21Å; N286-A288 PolarHBondContact OD1-N 2.7Å; A288-G290 VanDerWaalsContact C-N 3.29Å; A288-G290 PolarHBondContact O-N 2.69Å
289A95.8Very high90.5Very high45 Ų4573.1 Ų73.137%0.37243%0.427SS..G310 helixtrans-73-19.5177.300000113.6A284 N286 S287A284-A289 HydrophobicContact CB-CB 3.42Å; A284-A289 VanDerWaalsContact CB-CB 3.42Å; N286-A289 PolarHBondContact O-N 3.04Å; N286-A289 PolarHBondContact OD1-N 3.11Å; S287-A289 PolarHBondContact O-N 2.86Å
290G91.6Very high90.3Very high12 Ų1268.3 Ų68.312%0.12441%0.409CS..SBendtrans-113.6144.9176.300000111.6S287 A288 L292S287-G290 PolarHBondContact O-N 2.81Å; A288-G290 VanDerWaalsContact C-N 3.29Å; A288-G290 PolarHBondContact O-N 2.69Å; G290-L292 VanDerWaalsContact C-N 3.33Å; G290-L292 PolarHBondContact O-N 2.7Å
291K88.3Confident90.2Very high202 Ų20266.7 Ų66.788%0.87840%0.395SS*.  trans-89.174172.8-63.4-174.5-178.4-176.40109.6
292L88.7Confident90.1Very high68 Ų6866.7 Ų66.736%0.35640%0.395SS..  trans-104.4117.5170.5-64.6-178.3000109.2I34 V274 A277 I281 G290I34-L292 HydrophobicContact CD1-CD1 4.06Å; V274-L292 HydrophobicContact CG1-CD2 4.47Å; A277-L292 HydrophobicContact CB-CD2 3.95Å; A277-L292 HydrophobicContact CB-CG 4.18Å; I281-L292 HydrophobicContact CD1-CD1 3.56Å; I281-L292 HydrophobicContact CD1-CG 4.01Å; G290-L292 VanDerWaalsContact C-N 3.33Å; G290-L292 PolarHBondContact O-N 2.7Å
293E85.6Confident90Very high163 Ų16364.4 Ų64.476%0.76238%0.381SS*.  trans-94.4159177.8-67.7178.1-179.200110.9D295E293-D295 PolarHBondContact O-N 3.38Å
294I82.1Confident90Very high97 Ų9759.9 Ų59.950%0.49734%0.344SS..  trans-71118.4173.6-63.5172.5000107.1A4 E296A4-I294 HydrophobicContact CB-CD1 4.18Å; A4-I294 HydrophobicContact CB-CG2 4.33Å; I294-E296 VanDerWaalsContact C-N 3.34Å; I294-E296 HydrophobicContact CG2-CG 4.48Å; I294-E296 PolarHBondContact O-N 3.27Å
295D78.4Confident90Very high84 Ų8457.3 Ų57.345%0.44932%0.322SS..  trans-69.893.4167.8-170.7-11.9000109.3E293 H297 A298E293-D295 PolarHBondContact O-N 3.38Å; D295-H297 VanDerWaalsContact C-N 3.25Å; D295-H297 WeakPolarHBondContact OD1-CA 3.05Å; D295-H297 VanDerWaalsContact OD1-CB 3.26Å; D295-H297 WeakPolarHBondContact OD1-CB 3.46Å; D295-H297 PolarHBondContact OD1-N 2.81Å; D295-A298 HydrophobicContact CB-CB 4.12Å; D295-A298 PolarHBondContact OD1-N 3.15Å
296E71.6Confident90Very high156 Ų15655.1 Ų55.173%0.72930%0.299SS*.SBendtrans-67.5-29.8173.8-69.6-169.6170.300111.6I294 A298 S299I294-E296 VanDerWaalsContact C-N 3.34Å; I294-E296 HydrophobicContact CG2-CG 4.48Å; I294-E296 PolarHBondContact O-N 3.27Å; E296-A298 VanDerWaalsContact C-N 3.27Å; E296-A298 PolarHBondContact O-N 2.95Å; E296-S299 WeakPolarHBondContact O-CB 3.36Å; E296-S299 PolarHBondContact O-N 2.85Å; E296-S299 VanDerWaalsContact O-N 3.11Å; E296-S299 PolarHBondContact O-OG 2.85Å
297H74.2Confident90.1Very high72 Ų7252.2 Ų52.233%0.33328%0.284SS..THydrogen-bonded Turntrans-64.5-33.8178.4-179.175.2000111.3D149 D295 S299 Y300D149-H297 VanDerWaalsContact CB-NE2 3.29Å; D149-H297 WeakPolarHBondContact CB-NE2 3.38Å; D149-H297 VanDerWaalsContact CG-NE2 3.32Å; D149-H297 PolarHBondContact O-CE1 3.43Å; D149-H297 IonicContact OD2-CD2 3.15Å; D149-H297 PolarHBondContact OD2-CD2 2.84Å; D149-H297 IonicContact OD2-CE1 3.79Å; D149-H297 IonicContact OD2-NE2 3.17Å; D149-H297 PolarHBondContact OD2-NE2 3.15Å; D295-H297 VanDerWaalsContact C-N 3.25Å; D295-H297 WeakPolarHBondContact OD1-CA 3.05Å; D295-H297 VanDerWaalsContact OD1-CB 3.26Å; D295-H297 WeakPolarHBondContact OD1-CB 3.46Å; D295-H297 PolarHBondContact OD1-N 2.81Å; H297-S299 PolarHBondContact O-N 2.8Å; H297-Y300 WeakPolarHBondContact O-CD1 3.46Å
298A82.6Confident90.3Very high12 Ų1251.2 Ų51.210%0.09928%0.276CS..THydrogen-bonded Turntrans-68.9-10.3175.400000115M1 D295 E296 Y300 I301M1-A298 HydrophobicContact CB-CB 4.18Å; M1-A298 HydrophobicContact CG-CB 4.14Å; M1-A298 VanDerWaalsContact SD-C 3.55Å; M1-A298 HydrophobicContact SD-CB 3.75Å; D295-A298 HydrophobicContact CB-CB 4.12Å; D295-A298 PolarHBondContact OD1-N 3.15Å; E296-A298 VanDerWaalsContact C-N 3.27Å; E296-A298 PolarHBondContact O-N 2.95Å; A298-Y300 PolarHBondContact O-N 3.32Å; A298-I301 HydrophobicContact CB-CD1 4.27Å; A298-I301 WeakPolarHBondContact O-CB 3.41Å; A298-I301 WeakPolarHBondContact O-CG1 3.42Å; A298-I301 PolarHBondContact O-N 3.42Å
299S89.7Confident90.5Very high39 Ų3949.2 Ų49.227%0.27326%0.259SS..Hα-helixtrans-56.2-25.1-174.460.40000115.1E296 H297 I301 V302 D303E296-S299 WeakPolarHBondContact O-CB 3.36Å; E296-S299 PolarHBondContact O-N 2.85Å; E296-S299 VanDerWaalsContact O-N 3.11Å; E296-S299 PolarHBondContact O-OG 2.85Å; H297-S299 PolarHBondContact O-N 2.8Å; S299-I301 PolarHBondContact O-N 3.37Å; S299-I301 VanDerWaalsContact O-N 3.16Å; S299-V302 WeakPolarHBondContact O-CB 3.43Å; S299-V302 PolarHBondContact O-N 2.78Å; S299-D303 PolarHBondContact O-N 3.44Å
300Y93.6Very high90.6Very high13 Ų1352.7 Ų52.75%0.05127%0.266CS..Hα-helixtrans-59.6-25.4175.276.4-93.4000113.3Y124 I147 D149 I152 H297 A298 V302 D303 L304Y124-Y300 WeakPolarHBondContact CB-OH 3.07Å; I147-Y300 HydrophobicContact CB-CE2 4.48Å; I147-Y300 HydrophobicContact CD1-CD2 3.52Å; I147-Y300 HydrophobicContact CD1-CE2 3.93Å; I147-Y300 HydrophobicContact CG1-CD2 3.93Å; I147-Y300 HydrophobicContact CG1-CE2 3.87Å; I147-Y300 HydrophobicContact CG2-CD2 4.5Å; I147-Y300 HydrophobicContact CG2-CE2 3.83Å; D149-Y300 HydrophobicContact CB-CD1 4.23Å; D149-Y300 HydrophobicContact CB-CE1 3.41Å; D149-Y300 VanDerWaalsContact CB-CE1 3.41Å; I152-Y300 HydrophobicContact CG1-CD1 4.29Å; I152-Y300 HydrophobicContact CG1-CG 4.17Å; H297-Y300 WeakPolarHBondContact O-CD1 3.46Å; A298-Y300 PolarHBondContact O-N 3.32Å; Y300-V302 VanDerWaalsContact C-N 3.32Å; Y300-D303 WeakPolarHBondContact O-CB 3.39Å; Y300-D303 PolarHBondContact O-N 3.11Å; Y300-L304 WeakPolarHBondContact O-CB 3.43Å; Y300-L304 PolarHBondContact O-N 2.83Å
301I95.9Very high90.9Very high4 Ų455.4 Ų55.42%0.02128%0.278CS..Hα-helixtrans-68.9-37.5176.5-57162.8000109.5M1 M61 L122 Y124 A298 S299 L304 A305M1-I301 HydrophobicContact SD-CB 4.01Å; M1-I301 HydrophobicContact SD-CD1 4.31Å; M61-I301 HydrophobicContact CE-CG2 3.83Å; M61-I301 HydrophobicContact CG-CG2 4.08Å; M61-I301 HydrophobicContact SD-CG2 3.82Å; L122-I301 HydrophobicContact CD1-CG2 4.14Å; Y124-I301 HydrophobicContact CD1-CD1 3.91Å; Y124-I301 HydrophobicContact CD1-CG1 4.13Å; Y124-I301 HydrophobicContact CD2-CD1 3.88Å; Y124-I301 HydrophobicContact CE1-CD1 3.63Å; Y124-I301 HydrophobicContact CE1-CG1 4.18Å; Y124-I301 HydrophobicContact CE1-CG2 4.14Å; Y124-I301 HydrophobicContact CE2-CD1 3.52Å; Y124-I301 HydrophobicContact CG-CD1 4.05Å; Y124-I301 HydrophobicContact CG-CG1 4.42Å; Y124-I301 VanDerWaalsContact CZ-CD1 3.43Å; A298-I301 HydrophobicContact CB-CD1 4.27Å; A298-I301 WeakPolarHBondContact O-CB 3.41Å; A298-I301 WeakPolarHBondContact O-CG1 3.42Å; A298-I301 PolarHBondContact O-N 3.42Å; S299-I301 PolarHBondContact O-N 3.37Å; S299-I301 VanDerWaalsContact O-N 3.16Å; I301-L304 PolarHBondContact O-N 3.36Å; I301-A305 WeakPolarHBondContact O-CB 3.2Å; I301-A305 PolarHBondContact O-N 3.4Å
302V96.3Very high91.4Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-72.8-35.6174.2-171.10000111M1 L2 N5 F9 S299 Y300 L304 A305 A306M1-V302 HydrophobicContact CE-CG2 4.42Å; M1-V302 HydrophobicContact CG-CG2 3.63Å; M1-V302 HydrophobicContact SD-CG2 3.55Å; M1-V302 VanDerWaalsContact SD-CG2 3.55Å; L2-V302 HydrophobicContact CD2-CG2 4.14Å; N5-V302 HydrophobicContact CB-CB 4.46Å; N5-V302 HydrophobicContact CB-CG1 3.8Å; N5-V302 HydrophobicContact CB-CG2 4.4Å; F9-V302 HydrophobicContact CB-CG1 3.59Å; F9-V302 HydrophobicContact CD1-CG1 4.3Å; F9-V302 HydrophobicContact CG-CG1 4.08Å; S299-V302 WeakPolarHBondContact O-CB 3.43Å; S299-V302 PolarHBondContact O-N 2.78Å; Y300-V302 VanDerWaalsContact C-N 3.32Å; V302-L304 VanDerWaalsContact C-N 3.33Å; V302-L304 PolarHBondContact O-N 3.04Å; V302-A305 PolarHBondContact O-N 3.48Å; V302-A306 WeakPolarHBondContact O-CB 3.47Å; V302-A306 PolarHBondContact O-N 3.37Å
303D96.6Very high91.9Very high7 Ų748.9 Ų48.94%0.03725%0.254CS..Hα-helixtrans-54.8-51.7170.7-66.4-26.4000110.9R8 K168 S299 Y300 A306 A307 M316R8-D303 IonicContact CZ-OD1 3.66Å; R8-D303 IonicContact NH1-OD1 2.84Å; R8-D303 PolarHBondContact NH1-OD1 2.63Å; R8-D303 IonicContact NH2-OD1 3.54Å; R8-D303 PolarHBondContact NH2-OD1 3.36Å; K168-D303 VanDerWaalsContact CE-OD2 3.23Å; K168-D303 WeakPolarHBondContact CE-OD2 3.43Å; K168-D303 IonicContact NZ-OD1 3.56Å; K168-D303 PolarHBondContact NZ-OD1 2.78Å; K168-D303 IonicContact NZ-OD2 4Å; K168-D303 PolarHBondContact NZ-OD2 3.22Å; S299-D303 PolarHBondContact O-N 3.44Å; Y300-D303 WeakPolarHBondContact O-CB 3.39Å; Y300-D303 PolarHBondContact O-N 3.11Å; D303-A306 PolarHBondContact O-N 3.01Å; D303-A307 VanDerWaalsContact O-CB 3.27Å; D303-A307 WeakPolarHBondContact O-CB 3.25Å; D303-A307 PolarHBondContact O-N 3.36Å; D303-M316 HydrophobicContact CB-CE 4.46Å
304L98Very high92.5Very high0 Ų043.4 Ų43.40%023%0.228CC..Hα-helixtrans-60.8-49.1177.6179.258.1000112L122 L145 I147 Y300 I301 V302 A306 A307 I308 M316 L318 V341L122-L304 HydrophobicContact CB-CD2 4.34Å; L122-L304 HydrophobicContact CD1-CD2 4.48Å; L122-L304 HydrophobicContact CD1-CG 4.37Å; L122-L304 HydrophobicContact CD2-CD2 3.86Å; L122-L304 HydrophobicContact CD2-CG 3.91Å; L122-L304 HydrophobicContact CG-CD2 4.44Å; L145-L304 HydrophobicContact CB-CD2 4.07Å; L145-L304 HydrophobicContact CD1-CD1 3.75Å; L145-L304 HydrophobicContact CD1-CD2 4.42Å; L145-L304 HydrophobicContact CD1-CG 4.23Å; I147-L304 HydrophobicContact CB-CD2 4.21Å; I147-L304 HydrophobicContact CD1-CB 4.39Å; I147-L304 HydrophobicContact CD1-CD2 3.83Å; I147-L304 HydrophobicContact CG2-CD2 3.97Å; Y300-L304 WeakPolarHBondContact O-CB 3.43Å; Y300-L304 PolarHBondContact O-N 2.83Å; I301-L304 PolarHBondContact O-N 3.36Å; V302-L304 VanDerWaalsContact C-N 3.33Å; V302-L304 PolarHBondContact O-N 3.04Å; L304-A306 PolarHBondContact O-N 3.46Å; L304-A307 PolarHBondContact O-N 3.17Å; L304-I308 WeakPolarHBondContact O-CG1 3.37Å; L304-I308 PolarHBondContact O-N 3.44Å; L304-I308 VanDerWaalsContact O-N 3.12Å; L304-M316 HydrophobicContact CB-SD 4.04Å; L304-M316 HydrophobicContact CD1-SD 3.62Å; L304-M316 HydrophobicContact CG-SD 4.42Å; L304-L318 HydrophobicContact CD1-CD1 4.33Å; L304-L318 HydrophobicContact CD1-CD2 4.17Å; L304-L318 HydrophobicContact CD2-CD2 4.31Å; L304-V341 HydrophobicContact CD1-CG1 4.01Å
305A98.1Very high93.3Very high0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-60.2-45.6179.300000112.2F9 F59 M61 L122 I301 V302 I308 A309F9-A305 HydrophobicContact CD2-CB 4.31Å; F9-A305 HydrophobicContact CE1-CB 4.14Å; F9-A305 HydrophobicContact CE2-CB 3.8Å; F9-A305 HydrophobicContact CZ-CB 3.71Å; F59-A305 HydrophobicContact CD1-CB 4.44Å; F59-A305 HydrophobicContact CE1-CB 4.31Å; F59-A305 HydrophobicContact CZ-CB 4.47Å; F59-A305 WeakPolarHBondContact CZ-O 3.47Å; M61-A305 HydrophobicContact CE-CB 4.27Å; L122-A305 HydrophobicContact CD1-CB 3.68Å; I301-A305 WeakPolarHBondContact O-CB 3.2Å; I301-A305 PolarHBondContact O-N 3.4Å; V302-A305 PolarHBondContact O-N 3.48Å; A305-I308 PolarHBondContact O-N 3.23Å; A305-A309 VanDerWaalsContact O-CB 3.28Å; A305-A309 WeakPolarHBondContact O-CB 3.26Å; A305-A309 PolarHBondContact O-N 2.93Å
306A97.8Very high94.2Very high4 Ų439.5 Ų39.53%0.03320%0.202CC..Hα-helixtrans-66.9-37.8178.700000111.8F9 V302 D303 L304 I308 A309 F310F9-A306 HydrophobicContact CD2-CB 4.44Å; V302-A306 WeakPolarHBondContact O-CB 3.47Å; V302-A306 PolarHBondContact O-N 3.37Å; D303-A306 PolarHBondContact O-N 3.01Å; L304-A306 PolarHBondContact O-N 3.46Å; A306-I308 VanDerWaalsContact C-N 3.33Å; A306-I308 PolarHBondContact O-N 2.98Å; A306-A309 PolarHBondContact O-N 3.26Å; A306-F310 HydrophobicContact CB-CD2 4.12Å; A306-F310 HydrophobicContact CB-CE2 4.45Å; A306-F310 WeakPolarHBondContact O-CB 3.45Å; A306-F310 WeakPolarHBondContact O-CD2 3.37Å; A306-F310 PolarHBondContact O-N 2.98Å
307A98.4Very high95.5Very high0 Ų032.9 Ų32.90%017%0.171CC..Hα-helixtrans-62.2-41.717700000112.2D303 L304 N311 T312 E314 M316 V341D303-A307 VanDerWaalsContact O-CB 3.27Å; D303-A307 WeakPolarHBondContact O-CB 3.25Å; D303-A307 PolarHBondContact O-N 3.36Å; L304-A307 PolarHBondContact O-N 3.17Å; A307-N311 VanDerWaalsContact O-CA 3.23Å; A307-N311 WeakPolarHBondContact O-CA 3.02Å; A307-N311 PolarHBondContact O-N 3.48Å; A307-T312 VanDerWaalsContact CA-OG1 3.26Å; A307-T312 WeakPolarHBondContact CA-OG1 3.39Å; A307-T312 WeakPolarHBondContact CB-OG1 3.15Å; A307-T312 PolarHBondContact O-N 3.21Å; A307-E314 HydrophobicContact CB-CB 4.18Å; A307-M316 HydrophobicContact CB-CE 3.88Å; A307-V341 HydrophobicContact CB-CB 3.86Å; A307-V341 HydrophobicContact CB-CG1 3.64Å
308I98.6Very high96.7Very high7 Ų729.6 Ų29.64%0.03616%0.156CC..Hα-helixtrans-66-51.9171.6-62.8-59.8000111.2F59 W120 L145 L304 A305 A306 F310 V341 G342 H343F59-I308 HydrophobicContact CE1-CB 3.94Å; F59-I308 HydrophobicContact CE1-CG2 3.81Å; F59-I308 HydrophobicContact CZ-CB 4.09Å; F59-I308 HydrophobicContact CZ-CG2 3.91Å; W120-I308 VanDerWaalsContact CD1-CG2 3.44Å; W120-I308 HydrophobicContact CD2-CG2 4.37Å; W120-I308 HydrophobicContact CG-CG2 4Å; L145-I308 HydrophobicContact CD1-CD1 3.6Å; L145-I308 HydrophobicContact CD1-CG1 3.68Å; L304-I308 WeakPolarHBondContact O-CG1 3.37Å; L304-I308 PolarHBondContact O-N 3.44Å; L304-I308 VanDerWaalsContact O-N 3.12Å; A305-I308 PolarHBondContact O-N 3.23Å; A306-I308 VanDerWaalsContact C-N 3.33Å; A306-I308 PolarHBondContact O-N 2.98Å; I308-F310 VanDerWaalsContact C-N 3.33Å; I308-F310 PolarHBondContact O-N 3.35Å; I308-V341 HydrophobicContact CD1-CG1 3.45Å; I308-V341 VanDerWaalsContact CD1-CG1 3.45Å; I308-V341 HydrophobicContact CG1-CG1 3.99Å; I308-G342 WeakPolarHBondContact CD1-O 3.31Å; I308-H343 VanDerWaalsContact O-CA 3.3Å; I308-H343 WeakPolarHBondContact O-CA 3.48Å
309A98.3Very high97.5Very high48 Ų4829.3 Ų29.340%0.39715%0.153SC..Hα-helixtrans-64-36.1-172.900000113.2F9 F59 A305 A306F9-A309 HydrophobicContact CE2-CB 4.14Å; F59-A309 HydrophobicContact CE2-CB 4.23Å; F59-A309 HydrophobicContact CZ-CB 4.05Å; A305-A309 VanDerWaalsContact O-CB 3.28Å; A305-A309 WeakPolarHBondContact O-CB 3.26Å; A305-A309 PolarHBondContact O-N 2.93Å; A306-A309 PolarHBondContact O-N 3.26Å
310F98.4Very high97.9Very high118 Ų11827.9 Ų27.952%0.51814%0.142SC..Hα-helixtrans-1179.6-172.3-54-62.4000113.8R8 F9 A306 I308 T312R8-F310 WeakPolarHBondContact O-CE2 3.41Å; F9-F310 HydrophobicContact CD2-CE2 4.21Å; A306-F310 HydrophobicContact CB-CD2 4.12Å; A306-F310 HydrophobicContact CB-CE2 4.45Å; A306-F310 WeakPolarHBondContact O-CB 3.45Å; A306-F310 WeakPolarHBondContact O-CD2 3.37Å; A306-F310 PolarHBondContact O-N 2.98Å; I308-F310 VanDerWaalsContact C-N 3.33Å; I308-F310 PolarHBondContact O-N 3.35Å; F310-T312 VanDerWaalsContact C-N 3.33Å; F310-T312 HydrophobicContact CB-CG2 4Å; F310-T312 PolarHBondContact O-N 2.59Å
311N98.5Very high98.1Very high69 Ų6930.3 Ų30.337%0.36916%0.16SC..THydrogen-bonded Turntrans52.246.5177.5-168.843000113.6A307 Q313 G342 H343A307-N311 VanDerWaalsContact O-CA 3.23Å; A307-N311 WeakPolarHBondContact O-CA 3.02Å; A307-N311 PolarHBondContact O-N 3.48Å; N311-Q313 VanDerWaalsContact C-N 3.27Å; N311-Q313 PolarHBondContact O-N 2.93Å; N311-Q313 PolarHBondContact OD1-NE2 3.25Å; N311-G342 WeakPolarHBondContact OD1-CA 3.4Å; N311-H343 HydrophobicContact CB-CB 4.2Å; N311-H343 PolarHBondContact OD1-CD2 3.08Å; N311-H343 PolarHBondContact OD1-N 3.17Å; N311-H343 VanDerWaalsContact OD1-N 3.08Å
312T98.4Very high98.3Very high68 Ų6830.3 Ų30.342%0.41716%0.16SC..  trans-76-15.2-168.167.20000114A307 F310 E314A307-T312 VanDerWaalsContact CA-OG1 3.26Å; A307-T312 WeakPolarHBondContact CA-OG1 3.39Å; A307-T312 WeakPolarHBondContact CB-OG1 3.15Å; A307-T312 PolarHBondContact O-N 3.21Å; F310-T312 VanDerWaalsContact C-N 3.33Å; F310-T312 HydrophobicContact CB-CG2 4Å; F310-T312 PolarHBondContact O-N 2.59Å; T312-E314 PolarHBondContact O-N 3.13Å; T312-E314 WeakPolarHBondContact OG1-CB 3.33Å; T312-E314 PolarHBondContact OG1-N 2.84Å
313Q98.5Very high98.4Very high65 Ų6536.7 Ų36.730%0.30419%0.194SC..  trans60.426.4-174.1-55.7-66.7-44.100112.1N311 R315 V341 E347N311-Q313 VanDerWaalsContact C-N 3.27Å; N311-Q313 PolarHBondContact O-N 2.93Å; N311-Q313 PolarHBondContact OD1-NE2 3.25Å; Q313-R315 PolarHBondContact O-N 2.84Å; Q313-V341 WeakPolarHBondContact CA-O 3.45Å; Q313-V341 PolarHBondContact N-O 2.94Å; Q313-E347 PolarHBondContact OE1-OE1 3.24Å
314E98.1Very high98.4Very high48 Ų4837.9 Ų37.922%0.22421%0.208CC..EExtended strand (participates in β ladder)trans-61.4133.5178.1-174.3165.8-17600109.8K168 A307 T312 M316 V341K168-E314 IonicContact NZ-OE1 3.5Å; K168-E314 PolarHBondContact NZ-OE1 3.07Å; A307-E314 HydrophobicContact CB-CB 4.18Å; T312-E314 PolarHBondContact O-N 3.13Å; T312-E314 WeakPolarHBondContact OG1-CB 3.33Å; T312-E314 PolarHBondContact OG1-N 2.84Å; E314-M316 HydrophobicContact CB-CE 3.9Å; E314-M316 HydrophobicContact CG-CE 3.89Å; E314-V341 PolarHBondContact O-N 3.38Å
315R98.6Very high98.5Very high82 Ų8238.3 Ų38.331%0.30921%0.211SC..EExtended strand (participates in β ladder)trans-84.3122.5179.2-178.3-179.1177.4145.9-1.9109.7V172 Q313 P338 C339 L340V172-R315 VanDerWaalsContact O-CZ 3.31Å; V172-R315 PolarHBondContact O-NE 3.08Å; V172-R315 PolarHBondContact O-NH2 3.34Å; Q313-R315 PolarHBondContact O-N 2.84Å; R315-P338 HydrophobicContact CG-CB 4.49Å; R315-C339 VanDerWaalsContact CA-O 3.32Å; R315-C339 WeakPolarHBondContact CA-O 3.34Å; R315-L340 HydrophobicContact CB-CD2 4.07Å
316M98.4Very high98.5Very high18 Ų1838.3 Ų38.39%0.08921%0.211CC..EExtended strand (participates in β ladder)trans-146.7162.1178.154.8-173.479.200111.7D303 L304 A307 E314 L318 P338 C339 V341D303-M316 HydrophobicContact CB-CE 4.46Å; L304-M316 HydrophobicContact CB-SD 4.04Å; L304-M316 HydrophobicContact CD1-SD 3.62Å; L304-M316 HydrophobicContact CG-SD 4.42Å; A307-M316 HydrophobicContact CB-CE 3.88Å; E314-M316 HydrophobicContact CB-CE 3.9Å; E314-M316 HydrophobicContact CG-CE 3.89Å; M316-L318 HydrophobicContact CG-CD1 4.3Å; M316-L318 HydrophobicContact CG-CG 4.12Å; M316-L318 HydrophobicContact SD-CD2 4.47Å; M316-P338 WeakPolarHBondContact O-CA 3.36Å; M316-C339 PolarHBondContact N-O 3.15Å; M316-C339 PolarHBondContact O-N 3.27Å; M316-V341 HydrophobicContact CE-CB 4.2Å; M316-V341 HydrophobicContact CE-CG2 4.14Å; M316-V341 HydrophobicContact CG-CG2 3.51Å; M316-V341 HydrophobicContact SD-CB 4.34Å; M316-V341 HydrophobicContact SD-CG2 3.7Å
317L98.8Very high98.5Very high17 Ų1744.3 Ų44.39%0.08924%0.238CC..EExtended strand (participates in β ladder)trans-84.7123.1174.4-56.3-176.9000108.7P151 Y174 E336 P338P151-L317 HydrophobicContact CB-CD1 3.66Å; P151-L317 HydrophobicContact CG-CD1 4.19Å; Y174-L317 HydrophobicContact CD1-CD1 3.81Å; Y174-L317 HydrophobicContact CD1-CD2 4.18Å; Y174-L317 HydrophobicContact CD2-CD1 4.28Å; Y174-L317 HydrophobicContact CE1-CD1 4.28Å; Y174-L317 HydrophobicContact CG-CD1 3.79Å; Y174-L317 HydrophobicContact CG-CD2 4.29Å; L317-E336 HydrophobicContact CB-CG 4.38Å; L317-P338 HydrophobicContact CD2-CB 4.17Å; L317-P338 HydrophobicContact CD2-CG 3.65Å
318L98.8Very high98.6Very high3 Ų346.2 Ų46.22%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-130.2154.4177.6-69176.6000110.2I147 L304 M316 V320 E336 I337 C339 V341 P346I147-L318 HydrophobicContact CB-CD2 3.9Å; I147-L318 HydrophobicContact CD1-CD2 3.72Å; I147-L318 HydrophobicContact CG1-CD2 3.94Å; L304-L318 HydrophobicContact CD1-CD1 4.33Å; L304-L318 HydrophobicContact CD1-CD2 4.17Å; L304-L318 HydrophobicContact CD2-CD2 4.31Å; M316-L318 HydrophobicContact CG-CD1 4.3Å; M316-L318 HydrophobicContact CG-CG 4.12Å; M316-L318 HydrophobicContact SD-CD2 4.47Å; L318-V320 HydrophobicContact CB-CG1 4.11Å; L318-E336 WeakPolarHBondContact O-CA 3.34Å; L318-I337 PolarHBondContact N-O 3.15Å; L318-I337 VanDerWaalsContact N-O 3.13Å; L318-I337 PolarHBondContact O-N 3Å; L318-I337 VanDerWaalsContact O-N 3.1Å; L318-C339 HydrophobicContact CD1-CB 4.25Å; L318-V341 HydrophobicContact CD1-CG2 3.51Å; L318-P346 HydrophobicContact CD1-CB 3.78Å; L318-P346 HydrophobicContact CD1-CG 4.47Å
319I98.9Very high98.6Very high6 Ų646.6 Ų46.63%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-91.7106.9176.2-53.1160.6000107.8A128 A132 N146 N178 M334 V335 E336A128-I319 HydrophobicContact CB-CD1 3.56Å; A132-I319 HydrophobicContact CB-CG2 3.75Å; N146-I319 HydrophobicContact CB-CB 3.9Å; N146-I319 HydrophobicContact CB-CD1 4.09Å; N146-I319 HydrophobicContact CB-CG2 4.49Å; N146-I319 PolarHBondContact O-N 2.69Å; N178-I319 HydrophobicContact CB-CD1 3.59Å; N178-I319 HydrophobicContact CB-CG1 4.05Å; I319-M334 HydrophobicContact CG2-CB 3.97Å; I319-M334 HydrophobicContact CG2-CE 4.24Å; I319-V335 CarbonylContact C-O 3.54Å; I319-V335 WeakPolarHBondContact CA-O 3.36Å; I319-E336 HydrophobicContact CG1-CB 4.3Å; I319-E336 HydrophobicContact CG1-CG 4.32Å
320V98.8Very high98.6Very high8 Ų847.6 Ų47.65%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-131.4159.4-172.9-63.50000111.4L318 N322 M334 V335 I337 P346 P348L318-V320 HydrophobicContact CB-CG1 4.11Å; V320-N322 PolarHBondContact O-N 2.63Å; V320-M334 CarbonylContact O-C 3.5Å; V320-M334 WeakPolarHBondContact O-CA 3.29Å; V320-V335 PolarHBondContact N-O 2.94Å; V320-V335 PolarHBondContact O-N 2.8Å; V320-I337 HydrophobicContact CG2-CD1 3.82Å; V320-I337 HydrophobicContact CG2-CG1 3.69Å; V320-P346 HydrophobicContact CG1-CB 4.13Å; V320-P346 HydrophobicContact CG1-CG 3.82Å; V320-P348 HydrophobicContact CB-CG 4.38Å; V320-P348 HydrophobicContact CG2-CB 4.17Å; V320-P348 HydrophobicContact CG2-CG 3.9Å
321P98.7Very high98.6Very high65 Ų6546 Ų4642%0.42225%0.246SC..EExtended strand (participates in β ladder)trans-58.3136.6169.7-21.733.5000111R136 A333 M334R136-P321 HydrophobicContact CG-CG 4.42Å; P321-A333 CarbonylContact C-O 3.52Å; P321-M334 HydrophobicContact CB-SD 4.26Å; P321-M334 HydrophobicContact CG-CE 4.38Å; P321-M334 HydrophobicContact CG-SD 3.8Å
322N98.8Very high98.5Very high3 Ų348 Ų482%0.01625%0.253CS..  trans-63.6-57.2-175.9179.934.4000112.4V320 G324 A325 I326 F329 D330 A333 V335V320-N322 PolarHBondContact O-N 2.63Å; N322-G324 VanDerWaalsContact C-N 3.31Å; N322-G324 PolarHBondContact O-N 3.42Å; N322-G324 VanDerWaalsContact O-N 3.15Å; N322-A325 WeakPolarHBondContact O-CB 3.4Å; N322-A325 PolarHBondContact O-N 3.02Å; N322-I326 PolarHBondContact ND2-O 3.39Å; N322-I326 VanDerWaalsContact ND2-O 3.1Å; N322-I326 WeakPolarHBondContact OD1-CA 3.26Å; N322-I326 WeakPolarHBondContact OD1-CB 3.39Å; N322-I326 PolarHBondContact OD1-N 2.98Å; N322-F329 PolarHBondContact ND2-O 2.79Å; N322-D330 VanDerWaalsContact CB-O 3.3Å; N322-D330 WeakPolarHBondContact CB-O 3.31Å; N322-D330 PolarHBondContact ND2-O 3.35Å; N322-A333 HydrophobicContact CB-CB 4.44Å; N322-A333 WeakPolarHBondContact CB-O 3.49Å; N322-A333 PolarHBondContact N-O 2.85Å; N322-V335 HydrophobicContact CB-CG1 3.92Å; N322-V335 HydrophobicContact CB-CG2 3.87Å
323N98.1Very high98.6Very high134 Ų13444.7 Ų44.772%0.71723%0.233SC*.THydrogen-bonded Turntrans40.454.1175.9-165.336.1000114.1A325 D331N323-A325 PolarHBondContact O-N 2.89Å; N323-D331 PolarHBondContact N-O 3.08Å
324G98.2Very high98.6Very high32 Ų3242.2 Ų42.233%0.3322%0.221SC..THydrogen-bonded Turntrans80-3.5-179.700000117.3N322 I326 D331N322-G324 VanDerWaalsContact C-N 3.31Å; N322-G324 PolarHBondContact O-N 3.42Å; N322-G324 VanDerWaalsContact O-N 3.15Å; G324-I326 VanDerWaalsContact C-N 3.32Å; G324-I326 PolarHBondContact O-N 3.02Å; G324-D331 PolarHBondContact N-OD1 3.12Å
325A98.7Very high98.6Very high9 Ų940 Ų407%0.07421%0.211CC..SBendtrans-60.4-43.6176.400000111.6N322 N323 I337 V351 G352N322-A325 WeakPolarHBondContact O-CB 3.4Å; N322-A325 PolarHBondContact O-N 3.02Å; N323-A325 PolarHBondContact O-N 2.89Å; A325-I337 HydrophobicContact CB-CD1 3.53Å; A325-V351 WeakPolarHBondContact O-CA 3.08Å; A325-V351 WeakPolarHBondContact O-CB 3.38Å; A325-V351 PolarHBondContact O-N 2.94Å; A325-G352 PolarHBondContact O-N 3.02Å; A325-G352 VanDerWaalsContact O-N 3.11Å
326I98.9Very high98.6Very high0 Ų036.1 Ų36.10%020%0.196CC..SBendtrans-100.996.3163-49.8179.3000107.5N322 G324 N328 F329 V335 I337 V351 G352 I354 M362N322-I326 PolarHBondContact ND2-O 3.39Å; N322-I326 VanDerWaalsContact ND2-O 3.1Å; N322-I326 WeakPolarHBondContact OD1-CA 3.26Å; N322-I326 WeakPolarHBondContact OD1-CB 3.39Å; N322-I326 PolarHBondContact OD1-N 2.98Å; G324-I326 VanDerWaalsContact C-N 3.32Å; G324-I326 PolarHBondContact O-N 3.02Å; I326-N328 PolarHBondContact O-N 3.13Å; I326-F329 HydrophobicContact CB-CB 3.91Å; I326-F329 HydrophobicContact CG2-CB 3.56Å; I326-F329 HydrophobicContact CG2-CG 4.46Å; I326-F329 PolarHBondContact O-N 3.05Å; I326-F329 VanDerWaalsContact O-N 3.15Å; I326-V335 HydrophobicContact CD1-CB 4.18Å; I326-V335 HydrophobicContact CD1-CG1 3.94Å; I326-I337 HydrophobicContact CD1-CG2 4.33Å; I326-I337 HydrophobicContact CG1-CG2 4.47Å; I326-V351 HydrophobicContact CG1-CB 3.96Å; I326-V351 HydrophobicContact CG1-CG1 4.32Å; I326-V351 HydrophobicContact CG1-CG2 4.01Å; I326-G352 WeakPolarHBondContact CA-O 3.39Å; I326-I354 HydrophobicContact CG2-CB 4.32Å; I326-I354 HydrophobicContact CG2-CD1 4.01Å; I326-I354 HydrophobicContact CG2-CG1 3.76Å; I326-I354 HydrophobicContact CG2-CG2 3.7Å; I326-M362 HydrophobicContact CD1-CE 4.03Å
327H98.6Very high98.7Very high130 Ų13035.2 Ų35.260%0.60219%0.192SC*.THydrogen-bonded Turntrans-60.6-39.6-166.7167.2-112.2000113.9F329 G352 D353H327-F329 VanDerWaalsContact C-N 3.31Å; H327-F329 PolarHBondContact O-N 3.32Å; H327-G352 PolarHBondContact N-O 2.67Å; H327-G352 VanDerWaalsContact N-O 3.15Å; H327-D353 IonicContact CE1-OD1 2.63Å; H327-D353 IonicContact CG-OD1 2.94Å; H327-D353 IonicContact ND1-OD1 2.79Å; H327-D353 PolarHBondContact ND1-OD1 2.89Å; H327-D353 IonicContact ND1-OD2 2.63Å
328N98.7Very high98.7Very high40 Ų4034.6 Ų34.621%0.21419%0.189CC..THydrogen-bonded Turntrans-93.526.718069.7-13.1000113.5I326 D353 I354 K359I326-N328 PolarHBondContact O-N 3.13Å; N328-D353 HydrophobicContact CB-CB 4.49Å; N328-D353 VanDerWaalsContact CB-OD1 3.31Å; N328-D353 WeakPolarHBondContact CB-OD1 3.45Å; N328-D353 PolarHBondContact N-OD1 3.21Å; N328-D353 WeakPolarHBondContact OD1-CA 3.33Å; N328-I354 PolarHBondContact ND2-N 3.35Å; N328-I354 PolarHBondContact ND2-O 2.99Å; N328-I354 WeakPolarHBondContact OD1-CG1 3.45Å; N328-I354 PolarHBondContact OD1-N 3.32Å; N328-K359 WeakPolarHBondContact O-CD 3Å; N328-K359 WeakPolarHBondContact O-CE 3.34Å; N328-K359 PolarHBondContact O-NZ 3.38Å
329F98.9Very high98.7Very high16 Ų1634.5 Ų34.57%0.0719%0.188CC..SBendtrans-128167.7179.1-161.1-111.8000111.5L177 N322 I326 H327 D331 A333 V335 I354 K359 M362 S363 V366L177-F329 HydrophobicContact CD2-CE1 4.17Å; L177-F329 HydrophobicContact CD2-CZ 4.42Å; N322-F329 PolarHBondContact ND2-O 2.79Å; I326-F329 HydrophobicContact CB-CB 3.91Å; I326-F329 HydrophobicContact CG2-CB 3.56Å; I326-F329 HydrophobicContact CG2-CG 4.46Å; I326-F329 PolarHBondContact O-N 3.05Å; I326-F329 VanDerWaalsContact O-N 3.15Å; H327-F329 VanDerWaalsContact C-N 3.31Å; H327-F329 PolarHBondContact O-N 3.32Å; F329-D331 PolarHBondContact O-N 2.97Å; F329-A333 HydrophobicContact CD1-CB 3.91Å; F329-A333 HydrophobicContact CE1-CB 3.53Å; F329-V335 HydrophobicContact CD1-CG1 4.16Å; F329-V335 HydrophobicContact CE1-CG1 4.23Å; F329-I354 HydrophobicContact CD2-CD1 4.34Å; F329-K359 HydrophobicContact CD2-CG 4.46Å; F329-M362 HydrophobicContact CD1-CE 4.34Å; F329-M362 HydrophobicContact CE1-CE 4.03Å; F329-M362 HydrophobicContact CE2-CB 3.56Å; F329-M362 HydrophobicContact CE2-CE 4.35Å; F329-M362 HydrophobicContact CZ-CB 3.57Å; F329-M362 HydrophobicContact CZ-CE 4.05Å; F329-S363 WeakPolarHBondContact CE2-OG 3.42Å; F329-V366 HydrophobicContact CE1-CG1 4.36Å; F329-V366 HydrophobicContact CZ-CB 4.28Å; F329-V366 HydrophobicContact CZ-CG1 3.79Å
330D98.6Very high98.7Very high68 Ų6836.8 Ų36.836%0.36420%0.2SC..  trans-60.2123.6-177.9179.2-0.7000111.2N322 E332 A333 K370N322-D330 VanDerWaalsContact CB-O 3.3Å; N322-D330 WeakPolarHBondContact CB-O 3.31Å; N322-D330 PolarHBondContact ND2-O 3.35Å; D330-E332 PolarHBondContact O-N 3.3Å; D330-E332 PolarHBondContact OD1-N 3.34Å; D330-A333 HydrophobicContact CB-CB 4.15Å; D330-A333 WeakPolarHBondContact O-CB 3.13Å; D330-A333 PolarHBondContact O-N 2.83Å; D330-K370 VanDerWaalsContact OD2-CE 3.23Å; D330-K370 WeakPolarHBondContact OD2-CE 3.46Å; D330-K370 IonicContact OD2-NZ 3.35Å
331D98.2Very high98.7Very high86 Ų8636.4 Ų36.446%0.4620%0.198SC..THydrogen-bonded Turntrans-63.6-28.6-179.8-77.8-32.3000112.7N323 G324 F329 A333N323-D331 PolarHBondContact N-O 3.08Å; G324-D331 PolarHBondContact N-OD1 3.12Å; F329-D331 PolarHBondContact O-N 2.97Å; D331-A333 VanDerWaalsContact C-N 3.34Å
332E97.8Very high98.7Very high109 Ų10933.3 Ų33.351%0.50918%0.178SC..THydrogen-bonded Turntrans-88.52.1178.5-65.1-158.217200113.6R136 D330 K370R136-E332 WeakPolarHBondContact CD-O 3.3Å; R136-E332 IonicContact CZ-OE2 3.3Å; R136-E332 PolarHBondContact NE-O 3.33Å; R136-E332 VanDerWaalsContact NE-O 3.11Å; R136-E332 IonicContact NH1-OE2 3Å; R136-E332 PolarHBondContact NH1-OE2 2.92Å; R136-E332 IonicContact NH2-OE2 3.11Å; R136-E332 PolarHBondContact NH2-OE2 3.41Å; D330-E332 PolarHBondContact O-N 3.3Å; D330-E332 PolarHBondContact OD1-N 3.34Å; E332-K370 PolarHBondContact O-NZ 3.2Å
333A98.8Very high98.6Very high0 Ų038.1 Ų38.10%020%0.2CC..  trans-72.1140.917700000111.4P321 N322 F329 D330 D331 V335 V366P321-A333 CarbonylContact C-O 3.52Å; N322-A333 HydrophobicContact CB-CB 4.44Å; N322-A333 WeakPolarHBondContact CB-O 3.49Å; N322-A333 PolarHBondContact N-O 2.85Å; F329-A333 HydrophobicContact CD1-CB 3.91Å; F329-A333 HydrophobicContact CE1-CB 3.53Å; D330-A333 HydrophobicContact CB-CB 4.15Å; D330-A333 WeakPolarHBondContact O-CB 3.13Å; D330-A333 PolarHBondContact O-N 2.83Å; D331-A333 VanDerWaalsContact C-N 3.34Å; A333-V335 HydrophobicContact CB-CG1 4.07Å; A333-V366 HydrophobicContact CB-CG2 3.86Å
334M98.9Very high98.7Very high13 Ų1337.9 Ų37.96%0.06420%0.199CC..EExtended strand (participates in β ladder)trans-81.2115.4163.2-66.4-58.2-72.900108.9A132 R136 L177 I319 V320 P321A132-M334 HydrophobicContact CB-CB 4.13Å; A132-M334 HydrophobicContact CB-CE 3.87Å; A132-M334 HydrophobicContact CB-CG 3.99Å; R136-M334 HydrophobicContact CB-CG 4.24Å; R136-M334 HydrophobicContact CB-SD 3.79Å; R136-M334 HydrophobicContact CG-SD 3.86Å; L177-M334 WeakPolarHBondContact CD2-O 3.34Å; I319-M334 HydrophobicContact CG2-CB 3.97Å; I319-M334 HydrophobicContact CG2-CE 4.24Å; V320-M334 CarbonylContact O-C 3.5Å; V320-M334 WeakPolarHBondContact O-CA 3.29Å; P321-M334 HydrophobicContact CB-SD 4.26Å; P321-M334 HydrophobicContact CG-CE 4.38Å; P321-M334 HydrophobicContact CG-SD 3.8Å
335V98.9Very high98.7Very high0 Ų036.4 Ų36.40%018%0.184CC..EExtended strand (participates in β ladder)trans-117.4145.2-174.9-64.80000110.8G176 L177 I319 V320 N322 I326 F329 A333 I337G176-V335 CarbonylContact O-C 3.57Å; G176-V335 WeakPolarHBondContact O-CA 3.43Å; G176-V335 WeakPolarHBondContact O-CB 3.44Å; L177-V335 HydrophobicContact CD2-CG1 4.34Å; I319-V335 CarbonylContact C-O 3.54Å; I319-V335 WeakPolarHBondContact CA-O 3.36Å; V320-V335 PolarHBondContact N-O 2.94Å; V320-V335 PolarHBondContact O-N 2.8Å; N322-V335 HydrophobicContact CB-CG1 3.92Å; N322-V335 HydrophobicContact CB-CG2 3.87Å; I326-V335 HydrophobicContact CD1-CB 4.18Å; I326-V335 HydrophobicContact CD1-CG1 3.94Å; F329-V335 HydrophobicContact CD1-CG1 4.16Å; F329-V335 HydrophobicContact CE1-CG1 4.23Å; A333-V335 HydrophobicContact CB-CG1 4.07Å; V335-I337 HydrophobicContact CB-CG2 4.3Å; V335-I337 HydrophobicContact CG2-CD1 3.93Å; V335-I337 HydrophobicContact CG2-CG1 4.13Å; V335-I337 HydrophobicContact CG2-CG2 4.06Å
336E98.9Very high98.7Very high1 Ų137.9 Ų37.91%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-95.3105.9175.7-171.4176.4-11000108.7C148 Y174 G176 N178 L317 L318 I319C148-E336 WeakPolarHBondContact CB-OE1 3.23Å; Y174-E336 HydrophobicContact CD1-CG 4.46Å; Y174-E336 VanDerWaalsContact CD1-O 3.24Å; Y174-E336 WeakPolarHBondContact CD1-O 3.19Å; Y174-E336 HydrophobicContact CE1-CB 3.99Å; Y174-E336 HydrophobicContact CE1-CG 3.77Å; Y174-E336 WeakPolarHBondContact CE1-O 3.48Å; Y174-E336 VanDerWaalsContact CE1-OE2 3.28Å; Y174-E336 WeakPolarHBondContact CE1-OE2 3.49Å; Y174-E336 PolarHBondContact OH-OE2 3.3Å; G176-E336 PolarHBondContact N-O 2.87Å; G176-E336 PolarHBondContact O-N 3.49Å; N178-E336 PolarHBondContact ND2-OE1 3.46Å; L317-E336 HydrophobicContact CB-CG 4.38Å; L318-E336 WeakPolarHBondContact O-CA 3.34Å; I319-E336 HydrophobicContact CG1-CB 4.3Å; I319-E336 HydrophobicContact CG1-CG 4.32Å
337I98.9Very high98.7Very high0 Ų043 Ų430%022%0.217CC..EExtended strand (participates in β ladder)trans-142159.5-172.857174.1000111.8L318 V320 A325 I326 V335 C339 P348 V351L318-I337 PolarHBondContact N-O 3.15Å; L318-I337 VanDerWaalsContact N-O 3.13Å; L318-I337 PolarHBondContact O-N 3Å; L318-I337 VanDerWaalsContact O-N 3.1Å; V320-I337 HydrophobicContact CG2-CD1 3.82Å; V320-I337 HydrophobicContact CG2-CG1 3.69Å; A325-I337 HydrophobicContact CB-CD1 3.53Å; I326-I337 HydrophobicContact CD1-CG2 4.33Å; I326-I337 HydrophobicContact CG1-CG2 4.47Å; V335-I337 HydrophobicContact CB-CG2 4.3Å; V335-I337 HydrophobicContact CG2-CD1 3.93Å; V335-I337 HydrophobicContact CG2-CG1 4.13Å; V335-I337 HydrophobicContact CG2-CG2 4.06Å; I337-C339 PolarHBondContact O-N 3.39Å; I337-P348 HydrophobicContact CD1-CB 3.81Å; I337-V351 HydrophobicContact CB-CG2 4.33Å; I337-V351 HydrophobicContact CG2-CG2 3.73Å
338P98.8Very high98.7Very high4 Ų439.8 Ų39.83%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-59.9129.1172.1-22.932000112.2Y174 R315 M316 L317 L349Y174-P338 WeakPolarHBondContact O-CD 3.32Å; R315-P338 HydrophobicContact CG-CB 4.49Å; M316-P338 WeakPolarHBondContact O-CA 3.36Å; L317-P338 HydrophobicContact CD2-CB 4.17Å; L317-P338 HydrophobicContact CD2-CG 3.65Å; P338-L349 HydrophobicContact CB-CB 4.48Å; P338-L349 HydrophobicContact CB-CD1 4.11Å; P338-L349 WeakPolarHBondContact O-CB 3.3Å; P338-L349 PolarHBondContact O-N 2.9Å
339C98.9Very high98.7Very high0 Ų040.3 Ų40.30%021%0.21CC..EExtended strand (participates in β ladder)trans-126.1150.2172.9-57.90000109.3R315 M316 L318 I337 P346 E347R315-C339 VanDerWaalsContact CA-O 3.32Å; R315-C339 WeakPolarHBondContact CA-O 3.34Å; M316-C339 PolarHBondContact N-O 3.15Å; M316-C339 PolarHBondContact O-N 3.27Å; L318-C339 HydrophobicContact CD1-CB 4.25Å; I337-C339 PolarHBondContact O-N 3.39Å; C339-P346 HydrophobicContact CB-CB 3.8Å; C339-E347 WeakPolarHBondContact CA-O 3.25Å
340L98.8Very high98.7Very high54 Ų5444.3 Ų44.328%0.28324%0.236SC..EExtended strand (participates in β ladder)trans-86.7135.1159.2-57179.5000107.9R315 P346 E347 L349R315-L340 HydrophobicContact CB-CD2 4.07Å; L340-P346 CarbonylContact O-C 3.17Å; L340-P346 WeakPolarHBondContact O-CA 3.46Å; L340-E347 HydrophobicContact CB-CB 4.39Å; L340-E347 PolarHBondContact N-O 2.87Å; L340-E347 PolarHBondContact O-N 2.7Å; L340-L349 HydrophobicContact CD1-CD2 4.46Å; L340-L349 HydrophobicContact CG-CD2 4.27Å
341V98.9Very high98.7Very high0 Ų042.2 Ų42.20%023%0.225CC..EExtended strand (participates in β ladder)trans-113.7121-175.3-179.40000110.9L304 A307 I308 Q313 E314 M316 L318L304-V341 HydrophobicContact CD1-CG1 4.01Å; A307-V341 HydrophobicContact CB-CB 3.86Å; A307-V341 HydrophobicContact CB-CG1 3.64Å; I308-V341 HydrophobicContact CD1-CG1 3.45Å; I308-V341 VanDerWaalsContact CD1-CG1 3.45Å; I308-V341 HydrophobicContact CG1-CG1 3.99Å; Q313-V341 WeakPolarHBondContact CA-O 3.45Å; Q313-V341 PolarHBondContact N-O 2.94Å; E314-V341 PolarHBondContact O-N 3.38Å; M316-V341 HydrophobicContact CE-CB 4.2Å; M316-V341 HydrophobicContact CE-CG2 4.14Å; M316-V341 HydrophobicContact CG-CG2 3.51Å; M316-V341 HydrophobicContact SD-CB 4.34Å; M316-V341 HydrophobicContact SD-CG2 3.7Å; L318-V341 HydrophobicContact CD1-CG2 3.51Å
342G98.6Very high98.7Very high1 Ų139.1 Ų39.11%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-131.5-172.4178.600000112.9I308 N311 N344 G345I308-G342 WeakPolarHBondContact CD1-O 3.31Å; N311-G342 WeakPolarHBondContact OD1-CA 3.4Å; G342-N344 PolarHBondContact O-N 2.97Å; G342-G345 PolarHBondContact N-O 2.8Å; G342-G345 PolarHBondContact O-N 2.71Å
343H98.3Very high98.7Very high103 Ų10338.9 Ų38.948%0.47722%0.216SC..THydrogen-bonded Turntrans-62.9-19.5-175.674.288.4000114.5I308 N311I308-H343 VanDerWaalsContact O-CA 3.3Å; I308-H343 WeakPolarHBondContact O-CA 3.48Å; N311-H343 HydrophobicContact CB-CB 4.2Å; N311-H343 PolarHBondContact OD1-CD2 3.08Å; N311-H343 PolarHBondContact OD1-N 3.17Å; N311-H343 VanDerWaalsContact OD1-N 3.08Å
344N98.4Very high98.7Very high129 Ų12939.2 Ų39.269%0.6922%0.218SC*.THydrogen-bonded Turntrans-90.92.6175.4-68.2-32.7000113.6G342G342-N344 PolarHBondContact O-N 2.97Å
345G98.4Very high98.7Very high2 Ų242 Ų422%0.02124%0.237CC..EExtended strand (participates in β ladder)trans98.6-154.6-173.900000112.8G342G342-G345 PolarHBondContact N-O 2.8Å; G342-G345 PolarHBondContact O-N 2.71Å
346P98.5Very high98.7Very high40 Ų4048.9 Ų48.926%0.2627%0.269SS..EExtended strand (participates in β ladder)trans-83141.5-174.632.2-33.4000112.7L145 L318 V320 C339 L340L145-P346 HydrophobicContact CD2-CG 4.13Å; L318-P346 HydrophobicContact CD1-CB 3.78Å; L318-P346 HydrophobicContact CD1-CG 4.47Å; V320-P346 HydrophobicContact CG1-CB 4.13Å; V320-P346 HydrophobicContact CG1-CG 3.82Å; C339-P346 HydrophobicContact CB-CB 3.8Å; L340-P346 CarbonylContact O-C 3.17Å; L340-P346 WeakPolarHBondContact O-CA 3.46Å
347E98.8Very high98.7Very high108 Ų10852.9 Ų52.951%0.50529%0.286SS..EExtended strand (participates in β ladder)trans-111.297.2166.3-65.6178.2-111.700107.9Q313 C339 L340Q313-E347 PolarHBondContact OE1-OE1 3.24Å; C339-E347 WeakPolarHBondContact CA-O 3.25Å; L340-E347 HydrophobicContact CB-CB 4.39Å; L340-E347 PolarHBondContact N-O 2.87Å; L340-E347 PolarHBondContact O-N 2.7Å
348P98.7Very high98.7Very high61 Ų6153.3 Ų53.340%0.39629%0.288SS..EExtended strand (participates in β ladder)trans-65.9139.1-174.3-21.133.4000112.8V320 I337V320-P348 HydrophobicContact CB-CG 4.38Å; V320-P348 HydrophobicContact CG2-CB 4.17Å; V320-P348 HydrophobicContact CG2-CG 3.9Å; I337-P348 HydrophobicContact CD1-CB 3.81Å
349L98.8Very high98.7Very high51 Ų5156 Ų5627%0.26730%0.299SS..PPolyproline II helixtrans-91.5139.6176.4-61.4178.5000111P338 L340 V351P338-L349 HydrophobicContact CB-CB 4.48Å; P338-L349 HydrophobicContact CB-CD1 4.11Å; P338-L349 WeakPolarHBondContact O-CB 3.3Å; P338-L349 PolarHBondContact O-N 2.9Å; L340-L349 HydrophobicContact CD1-CD2 4.46Å; L340-L349 HydrophobicContact CG-CD2 4.27Å; L349-V351 PolarHBondContact O-N 3.19Å
350V98.7Very high98.7Very high101 Ų10157.6 Ų57.661%0.61232%0.316SS*.PPolyproline II helixtrans-63129.3178.4177.50000111.4R173R173-V350 PolarHBondContact NH1-O 2.91Å; R173-V350 PolarHBondContact NH2-O 3.5Å
351V98.8Very high98.7Very high23 Ų2355.7 Ų55.714%0.13931%0.306CS..  trans-88.6-46.1171.5178.20000110R173 Y175 A325 I326 I337 L349 I354R173-V351 PolarHBondContact NH2-O 3.39Å; Y175-V351 HydrophobicContact CD1-CG1 3.89Å; Y175-V351 HydrophobicContact CG-CG1 4.03Å; A325-V351 WeakPolarHBondContact O-CA 3.08Å; A325-V351 WeakPolarHBondContact O-CB 3.38Å; A325-V351 PolarHBondContact O-N 2.94Å; I326-V351 HydrophobicContact CG1-CB 3.96Å; I326-V351 HydrophobicContact CG1-CG1 4.32Å; I326-V351 HydrophobicContact CG1-CG2 4.01Å; I337-V351 HydrophobicContact CB-CG2 4.33Å; I337-V351 HydrophobicContact CG2-CG2 3.73Å; L349-V351 PolarHBondContact O-N 3.19Å; V351-I354 HydrophobicContact CG1-CG2 3.97Å
352G98.5Very high98.7Very high21 Ų2155.7 Ų55.722%0.21631%0.306CS..  trans94.8-154-17200000112.1A325 I326 H327A325-G352 PolarHBondContact O-N 3.02Å; A325-G352 VanDerWaalsContact O-N 3.11Å; I326-G352 WeakPolarHBondContact CA-O 3.39Å; H327-G352 PolarHBondContact N-O 2.67Å; H327-G352 VanDerWaalsContact N-O 3.15Å
353D98.8Very high98.7Very high105 Ų10558 Ų5856%0.56132%0.322SS*.PPolyproline II helixtrans-79132.9176.7-68.3-32.7000111.2H327 N328H327-D353 IonicContact CE1-OD1 2.63Å; H327-D353 IonicContact CG-OD1 2.94Å; H327-D353 IonicContact ND1-OD1 2.79Å; H327-D353 PolarHBondContact ND1-OD1 2.89Å; H327-D353 IonicContact ND1-OD2 2.63Å; N328-D353 HydrophobicContact CB-CB 4.49Å; N328-D353 VanDerWaalsContact CB-OD1 3.31Å; N328-D353 WeakPolarHBondContact CB-OD1 3.45Å; N328-D353 PolarHBondContact N-OD1 3.21Å; N328-D353 WeakPolarHBondContact OD1-CA 3.33Å
354I98.9Very high98.8Very high7 Ų756.1 Ų56.14%0.03631%0.314CS..PPolyproline II helixtrans-96.5151.8173.858164.5000111.4Y175 I326 N328 F329 V351 K359 M362Y175-I354 HydrophobicContact CD1-CG2 3.83Å; Y175-I354 HydrophobicContact CD2-CB 4.37Å; Y175-I354 HydrophobicContact CD2-CD1 4.42Å; Y175-I354 HydrophobicContact CD2-CG2 3.55Å; Y175-I354 HydrophobicContact CE1-CB 4.49Å; Y175-I354 HydrophobicContact CE1-CG2 3.76Å; Y175-I354 HydrophobicContact CE2-CB 3.88Å; Y175-I354 HydrophobicContact CE2-CD1 4.15Å; Y175-I354 HydrophobicContact CE2-CG2 3.51Å; Y175-I354 HydrophobicContact CG-CG2 3.73Å; I326-I354 HydrophobicContact CG2-CB 4.32Å; I326-I354 HydrophobicContact CG2-CD1 4.01Å; I326-I354 HydrophobicContact CG2-CG1 3.76Å; I326-I354 HydrophobicContact CG2-CG2 3.7Å; N328-I354 PolarHBondContact ND2-N 3.35Å; N328-I354 PolarHBondContact ND2-O 2.99Å; N328-I354 WeakPolarHBondContact OD1-CG1 3.45Å; N328-I354 PolarHBondContact OD1-N 3.32Å; F329-I354 HydrophobicContact CD2-CD1 4.34Å; V351-I354 HydrophobicContact CG1-CG2 3.97Å; I354-K359 HydrophobicContact CD1-CB 3.99Å; I354-K359 HydrophobicContact CG1-CB 4.14Å; I354-M362 HydrophobicContact CD1-CE 4.18Å; I354-M362 HydrophobicContact CD1-SD 3.67Å
355P98.7Very high98.8Very high72 Ų7250.6 Ų50.647%0.46828%0.284SS..PPolyproline II helixtrans-65.8156.7-179.2-16.830.6000113Y175 F357 Q358 K359Y175-P355 WeakPolarHBondContact OH-CD 3.36Å; P355-F357 VanDerWaalsContact C-N 3.26Å; P355-F357 PolarHBondContact O-N 2.92Å; P355-F357 VanDerWaalsContact O-N 3.17Å; P355-Q358 PolarHBondContact O-N 3.47Å; P355-K359 WeakPolarHBondContact O-CB 3.47Å; P355-K359 PolarHBondContact O-N 3.22Å
356Q98.7Very high98.8Very high144 Ų14450.9 Ų50.967%0.67329%0.285SS*.Hα-helixtrans-57.5-34.3-174.7-173.361.741.100113.8G360Q356-G360 PolarHBondContact O-N 2.96Å
357F98.8Very high98.8Very high85 Ų8550.5 Ų50.537%0.37329%0.285SS..Hα-helixtrans-63.6-55.7179.9175.4-111.4000111.5L233 L247 P355 G360 L361L233-F357 HydrophobicContact CB-CE1 4.31Å; L233-F357 HydrophobicContact CB-CZ 4.13Å; L233-F357 HydrophobicContact CD1-CZ 4.41Å; L247-F357 HydrophobicContact CD2-CZ 4.42Å; P355-F357 VanDerWaalsContact C-N 3.26Å; P355-F357 PolarHBondContact O-N 2.92Å; P355-F357 VanDerWaalsContact O-N 3.17Å; F357-G360 PolarHBondContact O-N 3.28Å; F357-L361 HydrophobicContact CD1-CD1 4.16Å; F357-L361 HydrophobicContact CD2-CD1 4.39Å; F357-L361 HydrophobicContact CE1-CD1 3.64Å; F357-L361 HydrophobicContact CE2-CD1 3.9Å; F357-L361 HydrophobicContact CE2-CG 4.41Å; F357-L361 HydrophobicContact CZ-CD1 3.5Å; F357-L361 HydrophobicContact CZ-CG 4.47Å; F357-L361 WeakPolarHBondContact O-CG 3.45Å; F357-L361 PolarHBondContact O-N 2.67Å; F357-L361 VanDerWaalsContact O-N 3.12Å
358Q98.9Very high98.8Very high8 Ų845.4 Ų45.44%0.03726%0.262CS..Hα-helixtrans-65.1-40.6177.9-6887.6-21.500111.3Y175 W182 P355 G360 L361 M362Y175-Q358 HydrophobicContact CE2-CB 3.78Å; Y175-Q358 HydrophobicContact CE2-CG 4.07Å; Y175-Q358 WeakPolarHBondContact OH-CB 3.46Å; Y175-Q358 VanDerWaalsContact OH-CD 3.25Å; Y175-Q358 WeakPolarHBondContact OH-CG 3.33Å; Y175-Q358 PolarHBondContact OH-NE2 3.31Å; W182-Q358 HydrophobicContact CD2-CB 4.49Å; W182-Q358 HydrophobicContact CD2-CG 3.53Å; W182-Q358 HydrophobicContact CE3-CB 4.01Å; W182-Q358 HydrophobicContact CE3-CG 3.53Å; W182-Q358 HydrophobicContact CG-CG 4.26Å; W182-Q358 HydrophobicContact CH2-CB 3.88Å; W182-Q358 HydrophobicContact CH2-CG 3.67Å; W182-Q358 HydrophobicContact CZ2-CB 4.36Å; W182-Q358 HydrophobicContact CZ2-CG 3.65Å; W182-Q358 HydrophobicContact CZ3-CB 3.71Å; W182-Q358 HydrophobicContact CZ3-CG 3.61Å; P355-Q358 PolarHBondContact O-N 3.47Å; Q358-G360 PolarHBondContact O-N 3.46Å; Q358-L361 PolarHBondContact O-N 3.07Å; Q358-M362 WeakPolarHBondContact O-CB 3.43Å; Q358-M362 VanDerWaalsContact O-CG 3.26Å; Q358-M362 WeakPolarHBondContact O-CG 3.36Å; Q358-M362 PolarHBondContact O-N 3.36Å
359K98.9Very high98.8Very high60 Ų6043.1 Ų43.126%0.26125%0.245SC..Hα-helixtrans-56.4-47.5174.6179.3170.8173164.50112N328 F329 I354 P355 S363N328-K359 WeakPolarHBondContact O-CD 3Å; N328-K359 WeakPolarHBondContact O-CE 3.34Å; N328-K359 PolarHBondContact O-NZ 3.38Å; F329-K359 HydrophobicContact CD2-CG 4.46Å; I354-K359 HydrophobicContact CD1-CB 3.99Å; I354-K359 HydrophobicContact CG1-CB 4.14Å; P355-K359 WeakPolarHBondContact O-CB 3.47Å; P355-K359 PolarHBondContact O-N 3.22Å; K359-S363 WeakPolarHBondContact O-CB 3.34Å; K359-S363 PolarHBondContact O-N 3.28Å; K359-S363 PolarHBondContact O-OG 3.31Å
360G98.9Very high98.8Very high35 Ų3541.7 Ų41.736%0.36124%0.237SC..Hα-helixtrans-62.3-45.7179.200000112.4Q356 F357 Q358 S363 Q364Q356-G360 PolarHBondContact O-N 2.96Å; F357-G360 PolarHBondContact O-N 3.28Å; Q358-G360 PolarHBondContact O-N 3.46Å; G360-S363 PolarHBondContact O-N 3.15Å; G360-Q364 PolarHBondContact O-N 2.76Å; G360-Q364 VanDerWaalsContact O-N 3.08Å
361L98.9Very high98.8Very high13 Ų1338.3 Ų38.37%0.06822%0.216CC..Hα-helixtrans-62.2-49.3177.2-74177.6000112.4F180 W182 L247 F357 Q358 Q364 Q365 K392F180-L361 HydrophobicContact CE1-CB 3.65Å; F180-L361 HydrophobicContact CZ-CB 3.75Å; W182-L361 HydrophobicContact CH2-CB 4.43Å; W182-L361 HydrophobicContact CH2-CD1 4.22Å; W182-L361 HydrophobicContact CZ2-CD1 4Å; L247-L361 HydrophobicContact CD2-CD1 3.96Å; L247-L361 HydrophobicContact CD2-CD2 4.04Å; F357-L361 HydrophobicContact CD1-CD1 4.16Å; F357-L361 HydrophobicContact CD2-CD1 4.39Å; F357-L361 HydrophobicContact CE1-CD1 3.64Å; F357-L361 HydrophobicContact CE2-CD1 3.9Å; F357-L361 HydrophobicContact CE2-CG 4.41Å; F357-L361 HydrophobicContact CZ-CD1 3.5Å; F357-L361 HydrophobicContact CZ-CG 4.47Å; F357-L361 WeakPolarHBondContact O-CG 3.45Å; F357-L361 PolarHBondContact O-N 2.67Å; F357-L361 VanDerWaalsContact O-N 3.12Å; Q358-L361 PolarHBondContact O-N 3.07Å; L361-Q364 PolarHBondContact O-N 2.82Å; L361-Q365 WeakPolarHBondContact O-CB 3.45Å; L361-Q365 PolarHBondContact O-N 2.95Å; L361-K392 HydrophobicContact CD2-CD 3.82Å
362M98.9Very high98.8Very high0 Ų037.2 Ų37.20%021%0.209CC..Hα-helixtrans-66.2-39179.1-68.8170.360.500111.6Y175 L177 F180 W182 I326 F329 I354 Q358 Q364 Q365 V366Y175-M362 HydrophobicContact CD2-CE 4.46Å; Y175-M362 HydrophobicContact CD2-SD 3.89Å; Y175-M362 HydrophobicContact CE2-SD 3.96Å; L177-M362 HydrophobicContact CD2-CE 4.24Å; L177-M362 HydrophobicContact CG-CE 4.45Å; L177-M362 HydrophobicContact CG-CG 4.48Å; F180-M362 HydrophobicContact CD1-CG 3.99Å; F180-M362 HydrophobicContact CE1-CG 4.08Å; W182-M362 HydrophobicContact CH2-CG 4.29Å; W182-M362 HydrophobicContact CZ3-CG 3.84Å; W182-M362 HydrophobicContact CZ3-SD 3.79Å; I326-M362 HydrophobicContact CD1-CE 4.03Å; F329-M362 HydrophobicContact CD1-CE 4.34Å; F329-M362 HydrophobicContact CE1-CE 4.03Å; F329-M362 HydrophobicContact CE2-CB 3.56Å; F329-M362 HydrophobicContact CE2-CE 4.35Å; F329-M362 HydrophobicContact CZ-CB 3.57Å; F329-M362 HydrophobicContact CZ-CE 4.05Å; I354-M362 HydrophobicContact CD1-CE 4.18Å; I354-M362 HydrophobicContact CD1-SD 3.67Å; Q358-M362 WeakPolarHBondContact O-CB 3.43Å; Q358-M362 VanDerWaalsContact O-CG 3.26Å; Q358-M362 WeakPolarHBondContact O-CG 3.36Å; Q358-M362 PolarHBondContact O-N 3.36Å; M362-Q364 VanDerWaalsContact C-N 3.32Å; M362-Q364 PolarHBondContact O-N 3.3Å; M362-Q365 PolarHBondContact O-N 3.41Å; M362-V366 WeakPolarHBondContact O-CB 3.22Å; M362-V366 WeakPolarHBondContact O-CG1 3.47Å; M362-V366 PolarHBondContact O-N 2.97Å
363S98.9Very high98.9Very high49 Ų4936.2 Ų36.234%0.34320%0.199SC..Hα-helixtrans-64.8-39.4179.1-57.50000111.2F329 K359 G360 A367F329-S363 WeakPolarHBondContact CE2-OG 3.42Å; K359-S363 WeakPolarHBondContact O-CB 3.34Å; K359-S363 PolarHBondContact O-N 3.28Å; K359-S363 PolarHBondContact O-OG 3.31Å; G360-S363 PolarHBondContact O-N 3.15Å; S363-A367 WeakPolarHBondContact O-CB 3.35Å; S363-A367 PolarHBondContact O-N 3.26Å
364Q98.9Very high98.9Very high64 Ų6432.7 Ų32.730%0.29918%0.18SC..Hα-helixtrans-62.9-48.3173.6-178.5179.89.900110.8G360 L361 M362 A367 V368 L390G360-Q364 PolarHBondContact O-N 2.76Å; G360-Q364 VanDerWaalsContact O-N 3.08Å; L361-Q364 PolarHBondContact O-N 2.82Å; M362-Q364 VanDerWaalsContact C-N 3.32Å; M362-Q364 PolarHBondContact O-N 3.3Å; Q364-A367 PolarHBondContact O-N 2.89Å; Q364-V368 PolarHBondContact O-N 3.35Å; Q364-L390 HydrophobicContact CG-CG 4.36Å; Q364-L390 PolarHBondContact NE2-O 3.37Å
365Q98.9Very high98.9Very high13 Ų1332.4 Ų32.46%0.06118%0.178CC..Hα-helixtrans-71.4-41.8-174.2-179.354.632.200112.8L177 F180 L361 M362 A367 V368 E369L177-Q365 HydrophobicContact CD1-CB 3.92Å; L177-Q365 HydrophobicContact CD1-CG 3.78Å; F180-Q365 HydrophobicContact CD2-CB 4.44Å; F180-Q365 HydrophobicContact CD2-CG 4.01Å; F180-Q365 HydrophobicContact CE2-CB 4.14Å; F180-Q365 HydrophobicContact CE2-CG 4.11Å; F180-Q365 HydrophobicContact CG-CG 4.43Å; F180-Q365 HydrophobicContact CZ-CB 4.22Å; L361-Q365 WeakPolarHBondContact O-CB 3.45Å; L361-Q365 PolarHBondContact O-N 2.95Å; M362-Q365 PolarHBondContact O-N 3.41Å; Q365-A367 PolarHBondContact O-N 2.91Å; Q365-V368 VanDerWaalsContact O-CB 3.28Å; Q365-V368 WeakPolarHBondContact O-CB 3.4Å; Q365-V368 PolarHBondContact O-N 3.14Å; Q365-V368 VanDerWaalsContact O-N 3.07Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.47Å; Q365-E369 PolarHBondContact NE2-OE1 3.19Å; Q365-E369 PolarHBondContact O-N 3.23Å; Q365-E369 VanDerWaalsContact O-N 3.12Å
366V98.8Very high98.9Very high9 Ų930.9 Ų30.96%0.05516%0.163CC..Hα-helixtrans-65.4-31.4177.376.20000111.6L177 F329 A333 M362 V368 E369 K370L177-V366 HydrophobicContact CD1-CB 3.92Å; L177-V366 HydrophobicContact CD2-CB 4.24Å; L177-V366 HydrophobicContact CD2-CG2 4.3Å; F329-V366 HydrophobicContact CE1-CG1 4.36Å; F329-V366 HydrophobicContact CZ-CB 4.28Å; F329-V366 HydrophobicContact CZ-CG1 3.79Å; A333-V366 HydrophobicContact CB-CG2 3.86Å; M362-V366 WeakPolarHBondContact O-CB 3.22Å; M362-V366 WeakPolarHBondContact O-CG1 3.47Å; M362-V366 PolarHBondContact O-N 2.97Å; V366-V368 VanDerWaalsContact C-N 3.34Å; V366-E369 PolarHBondContact O-N 2.9Å; V366-K370 HydrophobicContact CG2-CD 4.42Å; V366-K370 HydrophobicContact CG2-CG 4.47Å; V366-K370 WeakPolarHBondContact O-CB 3.37Å; V366-K370 WeakPolarHBondContact O-CG 3.15Å; V366-K370 PolarHBondContact O-N 3.06Å
367A98.9Very high98.9Very high31 Ų3127.4 Ų27.426%0.25615%0.147SC..Hα-helixtrans-65.4-37.6173.500000111.7S363 Q364 Q365 L371 L390S363-A367 WeakPolarHBondContact O-CB 3.35Å; S363-A367 PolarHBondContact O-N 3.26Å; Q364-A367 PolarHBondContact O-N 2.89Å; Q365-A367 PolarHBondContact O-N 2.91Å; A367-L371 VanDerWaalsContact O-CB 3.32Å; A367-L371 WeakPolarHBondContact O-CB 3.16Å; A367-L371 WeakPolarHBondContact O-CD1 3.35Å; A367-L371 WeakPolarHBondContact O-CG 3.36Å; A367-L371 PolarHBondContact O-N 2.9Å; A367-L390 HydrophobicContact CB-CD2 3.52Å
368V99Very high98.9Very high2 Ų228.5 Ų28.51%0.01215%0.153CC..Hα-helixtrans-58.1-53171.3174.30000109.8I95 Q364 Q365 V366 K370 L371 V372 A387 L390I95-V368 HydrophobicContact CD1-CG1 3.67Å; I95-V368 HydrophobicContact CG1-CG1 4.2Å; Q364-V368 PolarHBondContact O-N 3.35Å; Q365-V368 VanDerWaalsContact O-CB 3.28Å; Q365-V368 WeakPolarHBondContact O-CB 3.4Å; Q365-V368 PolarHBondContact O-N 3.14Å; Q365-V368 VanDerWaalsContact O-N 3.07Å; V366-V368 VanDerWaalsContact C-N 3.34Å; V368-K370 PolarHBondContact O-N 3.27Å; V368-L371 PolarHBondContact O-N 3.18Å; V368-V372 WeakPolarHBondContact O-CG2 3.36Å; V368-V372 PolarHBondContact O-N 3.23Å; V368-A387 HydrophobicContact CG1-CB 4.31Å; V368-A387 WeakPolarHBondContact CG1-O 3.35Å; V368-L390 HydrophobicContact CG2-CB 3.95Å; V368-L390 HydrophobicContact CG2-CD2 4.36Å; V368-L390 HydrophobicContact CG2-CG 4.13Å
369E98.9Very high98.9Very high12 Ų1233.4 Ų33.46%0.05617%0.171CC..Hα-helixtrans-61-44.6-176.4-67.8155.6-171.900112A129 I130 Q365 V366 V372 V373A129-E369 HydrophobicContact CB-CG 4.23Å; I130-E369 HydrophobicContact CG1-CB 4.34Å; I130-E369 HydrophobicContact CG1-CG 4.06Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.47Å; Q365-E369 PolarHBondContact NE2-OE1 3.19Å; Q365-E369 PolarHBondContact O-N 3.23Å; Q365-E369 VanDerWaalsContact O-N 3.12Å; V366-E369 PolarHBondContact O-N 2.9Å; E369-V372 WeakPolarHBondContact O-CB 3.35Å; E369-V372 PolarHBondContact O-N 3.12Å; E369-V373 PolarHBondContact O-N 3.32Å
370K98.9Very high98.9Very high22 Ų2231.4 Ų31.410%0.09617%0.165CC..Hα-helixtrans-61.3-43.1175-75-178.3177.3-72.90112.2E133 R137 D330 E332 V366 V368 V372 V373 D374E133-K370 HydrophobicContact CG-CG 4.15Å; E133-K370 WeakPolarHBondContact OE1-CG 3.42Å; E133-K370 IonicContact OE1-NZ 3.87Å; E133-K370 PolarHBondContact OE1-NZ 2.66Å; E133-K370 IonicContact OE2-NZ 2.83Å; E133-K370 PolarHBondContact OE2-NZ 3.46Å; R137-K370 PolarHBondContact NH2-O 2.76Å; D330-K370 VanDerWaalsContact OD2-CE 3.23Å; D330-K370 WeakPolarHBondContact OD2-CE 3.46Å; D330-K370 IonicContact OD2-NZ 3.35Å; E332-K370 PolarHBondContact O-NZ 3.2Å; V366-K370 HydrophobicContact CG2-CD 4.42Å; V366-K370 HydrophobicContact CG2-CG 4.47Å; V366-K370 WeakPolarHBondContact O-CB 3.37Å; V366-K370 WeakPolarHBondContact O-CG 3.15Å; V366-K370 PolarHBondContact O-N 3.06Å; V368-K370 PolarHBondContact O-N 3.27Å; K370-V372 VanDerWaalsContact C-N 3.32Å; K370-V372 PolarHBondContact O-N 3.36Å; K370-V373 PolarHBondContact O-N 2.98Å; K370-D374 VanDerWaalsContact O-CG 3.3Å; K370-D374 PolarHBondContact O-N 2.84Å
371L98.9Very high98.9Very high30 Ų3031.6 Ų31.616%0.15716%0.155CC..Hα-helixtrans-66.4-31177.3-75.9166.7000112.9A367 V368 D374 A375 Q386 A387 L390A367-L371 VanDerWaalsContact O-CB 3.32Å; A367-L371 WeakPolarHBondContact O-CB 3.16Å; A367-L371 WeakPolarHBondContact O-CD1 3.35Å; A367-L371 WeakPolarHBondContact O-CG 3.36Å; A367-L371 PolarHBondContact O-N 2.9Å; V368-L371 PolarHBondContact O-N 3.18Å; L371-D374 PolarHBondContact O-N 3.38Å; L371-A375 WeakPolarHBondContact O-CB 3.3Å; L371-A375 PolarHBondContact O-N 3.17Å; L371-Q386 HydrophobicContact CD1-CB 3.97Å; L371-Q386 HydrophobicContact CD2-CB 4.38Å; L371-A387 HydrophobicContact CB-CB 3.64Å; L371-L390 HydrophobicContact CD1-CD2 4.1Å
372V98.9Very high98.8Very high0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-64.1-45.5171.6176.40000110.4I95 M99 I130 V368 E369 K370 A375 W376 L384 A387I95-V372 HydrophobicContact CB-CG2 4.27Å; I95-V372 HydrophobicContact CD1-CG2 4.46Å; I95-V372 HydrophobicContact CG1-CG2 3.98Å; I95-V372 HydrophobicContact CG2-CG1 4.34Å; I95-V372 HydrophobicContact CG2-CG2 3.58Å; M99-V372 HydrophobicContact CG-CG1 3.84Å; M99-V372 HydrophobicContact SD-CG1 3.68Å; I130-V372 HydrophobicContact CD1-CG1 4.31Å; I130-V372 HydrophobicContact CD1-CG2 4.46Å; I130-V372 HydrophobicContact CG2-CB 4.43Å; I130-V372 HydrophobicContact CG2-CG1 3.87Å; V368-V372 WeakPolarHBondContact O-CG2 3.36Å; V368-V372 PolarHBondContact O-N 3.23Å; E369-V372 WeakPolarHBondContact O-CB 3.35Å; E369-V372 PolarHBondContact O-N 3.12Å; K370-V372 VanDerWaalsContact C-N 3.32Å; K370-V372 PolarHBondContact O-N 3.36Å; V372-A375 WeakPolarHBondContact O-CB 3.21Å; V372-A375 PolarHBondContact O-N 2.88Å; V372-W376 PolarHBondContact O-N 3.2Å; V372-L384 HydrophobicContact CB-CD1 4.42Å; V372-L384 HydrophobicContact CG1-CD1 4.25Å; V372-L384 HydrophobicContact CG2-CD1 4.05Å; V372-A387 HydrophobicContact CG2-CB 3.76Å
373V98.9Very high98.8Very high0 Ų037.5 Ų37.50%018%0.182CC..Hα-helixtrans-67.4-38.8177.6-178.30000111I102 I130 E133 A134 E369 K370 A375 W376 E377I102-V373 HydrophobicContact CD1-CG2 4.33Å; I130-V373 HydrophobicContact CG2-CG2 4.18Å; E133-V373 HydrophobicContact CB-CG2 4.04Å; E133-V373 HydrophobicContact CG-CB 4.18Å; E133-V373 HydrophobicContact CG-CG2 3.78Å; A134-V373 HydrophobicContact CB-CG1 4.12Å; A134-V373 HydrophobicContact CB-CG2 4.07Å; E369-V373 PolarHBondContact O-N 3.32Å; K370-V373 PolarHBondContact O-N 2.98Å; V373-A375 VanDerWaalsContact C-N 3.3Å; V373-A375 PolarHBondContact O-N 2.9Å; V373-W376 PolarHBondContact O-N 3.46Å; V373-W376 VanDerWaalsContact O-N 3.12Å; V373-E377 HydrophobicContact CG1-CG 4.17Å; V373-E377 WeakPolarHBondContact O-CB 3.42Å; V373-E377 WeakPolarHBondContact O-CG 3.21Å; V373-E377 PolarHBondContact O-N 3.48Å
374D98.8Very high98.8Very high31 Ų3135.2 Ų35.217%0.16617%0.166CC..Hα-helixtrans-56.6-44.5171-69.8-38.2000111.6R137 K370 L371 W376 Q378 H383R137-D374 IonicContact CZ-OD1 3.86Å; R137-D374 IonicContact NH1-OD1 3.36Å; R137-D374 PolarHBondContact NH1-OD1 3.44Å; R137-D374 IonicContact NH2-OD1 2.69Å; K370-D374 VanDerWaalsContact O-CG 3.3Å; K370-D374 PolarHBondContact O-N 2.84Å; L371-D374 PolarHBondContact O-N 3.38Å; D374-W376 VanDerWaalsContact C-N 3.32Å; D374-W376 PolarHBondContact O-N 3.13Å; D374-Q378 WeakPolarHBondContact O-CB 3.28Å; D374-Q378 VanDerWaalsContact O-CG 3.27Å; D374-Q378 WeakPolarHBondContact O-CG 3.35Å; D374-Q378 PolarHBondContact O-N 3.09Å; D374-H383 HydrophobicContact CB-CB 4.23Å
375A98.9Very high98.8Very high0 Ų035.3 Ų35.30%016%0.164CC..Hα-helixtrans-62.3-39.8176.800000112.3L371 V372 V373 R379 S380 H383 L384L371-A375 WeakPolarHBondContact O-CB 3.3Å; L371-A375 PolarHBondContact O-N 3.17Å; V372-A375 WeakPolarHBondContact O-CB 3.21Å; V372-A375 PolarHBondContact O-N 2.88Å; V373-A375 VanDerWaalsContact C-N 3.3Å; V373-A375 PolarHBondContact O-N 2.9Å; A375-R379 CarbonylContact O-C 3.3Å; A375-R379 VanDerWaalsContact O-CA 3.24Å; A375-R379 WeakPolarHBondContact O-CA 3.36Å; A375-R379 PolarHBondContact O-N 3.01Å; A375-S380 WeakPolarHBondContact CB-O 3.47Å; A375-S380 PolarHBondContact O-N 2.79Å; A375-H383 HydrophobicContact CB-CB 3.87Å; A375-L384 HydrophobicContact CB-CB 3.67Å; A375-L384 HydrophobicContact CB-CD1 4.2Å; A375-L384 HydrophobicContact CB-CG 4.44Å
376W98.8Very high98.8Very high41 Ų4138.6 Ų38.616%0.15518%0.179CC..Hα-helixtrans-68-49.9178.3-166.299.6000112M99 I102 L106 L138 V372 V373 D374 P416M99-W376 HydrophobicContact CE-CB 4.21Å; M99-W376 HydrophobicContact CE-CG 4.48Å; M99-W376 HydrophobicContact SD-CB 3.91Å; M99-W376 HydrophobicContact SD-CG 4.42Å; I102-W376 HydrophobicContact CB-CD2 4.27Å; I102-W376 HydrophobicContact CB-CG 4.29Å; I102-W376 HydrophobicContact CD1-CB 3.87Å; I102-W376 HydrophobicContact CD1-CD2 4.45Å; I102-W376 HydrophobicContact CD1-CG 3.76Å; I102-W376 HydrophobicContact CG2-CD2 3.6Å; I102-W376 HydrophobicContact CG2-CE3 3.96Å; I102-W376 HydrophobicContact CG2-CG 4.05Å; I102-W376 HydrophobicContact CG2-CH2 4.17Å; I102-W376 HydrophobicContact CG2-CZ2 3.83Å; I102-W376 HydrophobicContact CG2-CZ3 4.23Å; L106-W376 HydrophobicContact CD1-CH2 3.79Å; L106-W376 HydrophobicContact CD1-CZ2 4.43Å; L106-W376 HydrophobicContact CD1-CZ3 4.13Å; L138-W376 HydrophobicContact CD1-CE3 4.2Å; L138-W376 HydrophobicContact CD1-CZ3 3.86Å; V372-W376 PolarHBondContact O-N 3.2Å; V373-W376 PolarHBondContact O-N 3.46Å; V373-W376 VanDerWaalsContact O-N 3.12Å; D374-W376 VanDerWaalsContact C-N 3.32Å; D374-W376 PolarHBondContact O-N 3.13Å; W376-P416 HydrophobicContact CD2-CG 4.26Å; W376-P416 HydrophobicContact CG-CG 3.84Å
377E98.6Very high98.8Very high71 Ų7138.1 Ų38.133%0.33218%0.177SC..Hα-helixtrans-64.3-46.1-179.4-72.1-173.898.800111.5R137 L138 V373R137-E377 WeakPolarHBondContact CD-OE2 3.4Å; R137-E377 IonicContact CZ-OE2 2.7Å; R137-E377 IonicContact NE-OE2 3.51Å; R137-E377 IonicContact NH1-OE2 2.82Å; R137-E377 PolarHBondContact NH1-OE2 2.87Å; L138-E377 HydrophobicContact CD1-CG 4.24Å; L138-E377 HydrophobicContact CD2-CG 4.17Å; L138-E377 WeakPolarHBondContact CD2-OE1 3.46Å; L138-E377 HydrophobicContact CG-CG 4.48Å; V373-E377 HydrophobicContact CG1-CG 4.17Å; V373-E377 WeakPolarHBondContact O-CB 3.42Å; V373-E377 WeakPolarHBondContact O-CG 3.21Å; V373-E377 PolarHBondContact O-N 3.48Å
378Q98.7Very high98.8Very high108 Ų10836.7 Ų36.751%0.50516%0.164SC..Hα-helixtrans-931.2-172.8-54.1174.22900112.9D374 S380 H383D374-Q378 WeakPolarHBondContact O-CB 3.28Å; D374-Q378 VanDerWaalsContact O-CG 3.27Å; D374-Q378 WeakPolarHBondContact O-CG 3.35Å; D374-Q378 PolarHBondContact O-N 3.09Å; Q378-S380 PolarHBondContact O-N 3.02Å; Q378-H383 PolarHBondContact OE1-CE1 3.19Å; Q378-H383 PolarHBondContact OE1-ND1 3.45Å
379R98.6Very high98.8Very high110 Ų11038.9 Ų38.942%0.41518%0.178SC..THydrogen-bonded Turntrans53.641.8-176.9-53.2-63.3-173.5-178.23.3111.5A375 P416 E417 L418 R419A375-R379 CarbonylContact O-C 3.3Å; A375-R379 VanDerWaalsContact O-CA 3.24Å; A375-R379 WeakPolarHBondContact O-CA 3.36Å; A375-R379 PolarHBondContact O-N 3.01Å; R379-P416 VanDerWaalsContact NH1-CA 3.27Å; R379-E417 VanDerWaalsContact CB-O 3.3Å; R379-E417 WeakPolarHBondContact CB-O 3.22Å; R379-E417 WeakPolarHBondContact CD-O 3.33Å; R379-L418 CarbonylContact O-C 3.49Å; R379-L418 WeakPolarHBondContact O-CA 3.44Å; R379-R419 PolarHBondContact O-N 3.4Å
380S98.8Very high98.8Very high19 Ų1941.5 Ų41.513%0.13319%0.192CC..  trans-106.4116.5-167.41730000112.3A375 Q378 Q382 H383 L384A375-S380 WeakPolarHBondContact CB-O 3.47Å; A375-S380 PolarHBondContact O-N 2.79Å; Q378-S380 PolarHBondContact O-N 3.02Å; S380-Q382 VanDerWaalsContact C-N 3.26Å; S380-Q382 PolarHBondContact O-N 3.29Å; S380-Q382 PolarHBondContact OG-N 3.07Å; S380-H383 VanDerWaalsContact CB-ND1 3.32Å; S380-H383 WeakPolarHBondContact CB-ND1 3.41Å; S380-H383 PolarHBondContact OG-N 2.92Å; S380-H383 VanDerWaalsContact OG-N 3.11Å; S380-H383 PolarHBondContact OG-ND1 3.22Å; S380-L384 PolarHBondContact O-N 3.22Å
381Y98.8Very high98.8Very high38 Ų3840.6 Ų40.615%0.14919%0.188CC..Hα-helixtrans-61.2-40.6170.5178-82.6000110.7H383 L384 W385 K401 L404 D405 L408 R419Y381-H383 PolarHBondContact O-N 3.08Å; Y381-L384 PolarHBondContact O-N 3.38Å; Y381-W385 HydrophobicContact CE1-CB 4.27Å; Y381-W385 PolarHBondContact O-N 3.24Å; Y381-K401 WeakPolarHBondContact OH-CG 3.42Å; Y381-K401 PolarHBondContact OH-NZ 3.24Å; Y381-L404 HydrophobicContact CD1-CD2 4.37Å; Y381-L404 HydrophobicContact CD2-CD2 4.11Å; Y381-L404 HydrophobicContact CE1-CD2 3.86Å; Y381-L404 HydrophobicContact CE2-CD2 3.6Å; Y381-L404 HydrophobicContact CE2-CG 3.81Å; Y381-L404 HydrophobicContact CG-CD2 4.46Å; Y381-L404 VanDerWaalsContact CZ-CD2 3.43Å; Y381-D405 WeakPolarHBondContact CE2-OD1 3.41Å; Y381-D405 PolarHBondContact OH-OD1 3.47Å; Y381-L408 HydrophobicContact CD2-CD2 4.31Å; Y381-L408 HydrophobicContact CE2-CD2 4.37Å; Y381-R419 WeakPolarHBondContact CB-O 3.35Å; Y381-R419 PolarHBondContact N-O 3.37Å
382Q98.8Very high98.8Very high93 Ų9343.3 Ų43.344%0.43520%0.199SC..Hα-helixtrans-64.2-41-174.9-174.159.666.800112.8S380 W385 Q386S380-Q382 VanDerWaalsContact C-N 3.26Å; S380-Q382 PolarHBondContact O-N 3.29Å; S380-Q382 PolarHBondContact OG-N 3.07Å; Q382-W385 PolarHBondContact O-N 2.92Å; Q382-Q386 WeakPolarHBondContact O-CG 3.19Å; Q382-Q386 PolarHBondContact O-N 2.83Å
383H98.8Very high98.8Very high45 Ų4543.7 Ų43.721%0.20820%0.201CC..Hα-helixtrans-66.7-39.5177.5-74.5118.6000111.4D374 A375 Q378 S380 Y381 W385 Q386 A387D374-H383 HydrophobicContact CB-CB 4.23Å; A375-H383 HydrophobicContact CB-CB 3.87Å; Q378-H383 PolarHBondContact OE1-CE1 3.19Å; Q378-H383 PolarHBondContact OE1-ND1 3.45Å; S380-H383 VanDerWaalsContact CB-ND1 3.32Å; S380-H383 WeakPolarHBondContact CB-ND1 3.41Å; S380-H383 PolarHBondContact OG-N 2.92Å; S380-H383 VanDerWaalsContact OG-N 3.11Å; S380-H383 PolarHBondContact OG-ND1 3.22Å; Y381-H383 PolarHBondContact O-N 3.08Å; H383-W385 VanDerWaalsContact C-N 3.34Å; H383-W385 PolarHBondContact O-N 3.03Å; H383-Q386 PolarHBondContact CD2-OE1 3.37Å; H383-Q386 WeakPolarHBondContact O-CB 3.26Å; H383-Q386 PolarHBondContact O-N 3.38Å; H383-A387 PolarHBondContact O-N 2.96Å
384L98.9Very high98.8Very high0 Ų044.3 Ų44.30%021%0.205CC..Hα-helixtrans-68.6-36.6178-162.456.9000111.5I95 M99 V372 A375 S380 Y381 Q386 A387 I388 L404 W415 L418I95-L384 HydrophobicContact CG2-CD1 3.65Å; M99-L384 HydrophobicContact CE-CD2 4.24Å; M99-L384 HydrophobicContact CG-CD1 4.13Å; M99-L384 HydrophobicContact CG-CD2 4.21Å; M99-L384 HydrophobicContact SD-CD1 4.22Å; M99-L384 HydrophobicContact SD-CD2 4.46Å; V372-L384 HydrophobicContact CB-CD1 4.42Å; V372-L384 HydrophobicContact CG1-CD1 4.25Å; V372-L384 HydrophobicContact CG2-CD1 4.05Å; A375-L384 HydrophobicContact CB-CB 3.67Å; A375-L384 HydrophobicContact CB-CD1 4.2Å; A375-L384 HydrophobicContact CB-CG 4.44Å; S380-L384 PolarHBondContact O-N 3.22Å; Y381-L384 PolarHBondContact O-N 3.38Å; L384-Q386 VanDerWaalsContact C-N 3.35Å; L384-A387 HydrophobicContact CD1-CB 4.47Å; L384-A387 WeakPolarHBondContact O-CB 3.39Å; L384-A387 PolarHBondContact O-N 3.04Å; L384-I388 HydrophobicContact CG-CD1 4.26Å; L384-I388 WeakPolarHBondContact O-CG1 3.23Å; L384-I388 PolarHBondContact O-N 3.32Å; L384-L404 HydrophobicContact CB-CD1 4.28Å; L384-L404 HydrophobicContact CD2-CD1 3.58Å; L384-L404 HydrophobicContact CG-CD1 3.86Å; L384-W415 HydrophobicContact CD2-CE3 4.11Å; L384-W415 HydrophobicContact CD2-CH2 3.83Å; L384-W415 HydrophobicContact CD2-CZ3 3.4Å; L384-L418 HydrophobicContact CB-CD1 4.35Å; L384-L418 HydrophobicContact CD2-CD1 3.55Å
385W98.9Very high98.8Very high66 Ų6647.4 Ų47.425%0.2523%0.227CC..Hα-helixtrans-63.4-41.2173-175.925.7000112Y381 Q382 H383 T389 A397 K401 L404Y381-W385 HydrophobicContact CE1-CB 4.27Å; Y381-W385 PolarHBondContact O-N 3.24Å; Q382-W385 PolarHBondContact O-N 2.92Å; H383-W385 VanDerWaalsContact C-N 3.34Å; H383-W385 PolarHBondContact O-N 3.03Å; W385-T389 PolarHBondContact NE1-OG1 2.86Å; W385-T389 VanDerWaalsContact O-CB 3.24Å; W385-T389 WeakPolarHBondContact O-CB 3.45Å; W385-T389 PolarHBondContact O-N 3.09Å; W385-T389 PolarHBondContact O-OG1 3.38Å; W385-A397 HydrophobicContact CZ2-CB 4.24Å; W385-A397 PolarHBondContact NE1-O 3.21Å; W385-K401 HydrophobicContact CD2-CG 4.44Å; W385-K401 HydrophobicContact CZ2-CB 4.2Å; W385-K401 HydrophobicContact CZ2-CD 4.37Å; W385-K401 HydrophobicContact CZ2-CG 4.39Å; W385-L404 HydrophobicContact CB-CD2 3.58Å; W385-L404 HydrophobicContact CG-CD2 4.3Å
386Q98.9Very high98.8Very high82 Ų8249.5 Ų49.538%0.38324%0.241SC..Hα-helixtrans-61.5-44.9172.8-72.6169-18.900111.4L371 Q382 H383 L384 I388 T389 L390L371-Q386 HydrophobicContact CD1-CB 3.97Å; L371-Q386 HydrophobicContact CD2-CB 4.38Å; Q382-Q386 WeakPolarHBondContact O-CG 3.19Å; Q382-Q386 PolarHBondContact O-N 2.83Å; H383-Q386 PolarHBondContact CD2-OE1 3.37Å; H383-Q386 WeakPolarHBondContact O-CB 3.26Å; H383-Q386 PolarHBondContact O-N 3.38Å; L384-Q386 VanDerWaalsContact C-N 3.35Å; Q386-I388 PolarHBondContact O-N 2.84Å; Q386-T389 PolarHBondContact O-N 3.39Å; Q386-L390 VanDerWaalsContact O-CB 3.27Å; Q386-L390 WeakPolarHBondContact O-CB 3.46Å; Q386-L390 PolarHBondContact O-N 2.93Å
387A98.9Very high98.8Very high0 Ų049.5 Ų49.50%025%0.25CS..Hα-helixtrans-56.7-51.4177.900000111.5V368 L371 V372 H383 L384 T389 L390 S391V368-A387 HydrophobicContact CG1-CB 4.31Å; V368-A387 WeakPolarHBondContact CG1-O 3.35Å; L371-A387 HydrophobicContact CB-CB 3.64Å; V372-A387 HydrophobicContact CG2-CB 3.76Å; H383-A387 PolarHBondContact O-N 2.96Å; L384-A387 HydrophobicContact CD1-CB 4.47Å; L384-A387 WeakPolarHBondContact O-CB 3.39Å; L384-A387 PolarHBondContact O-N 3.04Å; A387-T389 PolarHBondContact O-N 3.43Å; A387-L390 PolarHBondContact O-N 3.37Å; A387-S391 PolarHBondContact O-N 3.17Å
388I98.9Very high98.8Very high0 Ų050.3 Ų50.30%026%0.264CS..Hα-helixtrans-65.2-42.1-179.8-62167.6000110.3P92 I95 L384 Q386 L390 S391 V394 A400 L404P92-I388 HydrophobicContact CB-CG2 4.4Å; P92-I388 HydrophobicContact CG-CG2 4.14Å; I95-I388 HydrophobicContact CD1-CG1 3.92Å; I95-I388 HydrophobicContact CG2-CG1 4.24Å; L384-I388 HydrophobicContact CG-CD1 4.26Å; L384-I388 WeakPolarHBondContact O-CG1 3.23Å; L384-I388 PolarHBondContact O-N 3.32Å; Q386-I388 PolarHBondContact O-N 2.84Å; I388-L390 VanDerWaalsContact C-N 3.29Å; I388-L390 PolarHBondContact O-N 3.37Å; I388-S391 WeakPolarHBondContact O-CB 3.5Å; I388-S391 PolarHBondContact O-N 3.3Å; I388-V394 HydrophobicContact CG2-CG1 4.45Å; I388-V394 HydrophobicContact CG2-CG2 3.98Å; I388-V394 WeakPolarHBondContact O-CB 3.38Å; I388-V394 VanDerWaalsContact O-CG2 3.28Å; I388-V394 WeakPolarHBondContact O-CG2 3.21Å; I388-A400 HydrophobicContact CB-CB 4.18Å; I388-A400 HydrophobicContact CG2-CB 3.67Å; I388-L404 HydrophobicContact CD1-CB 3.79Å; I388-L404 HydrophobicContact CD1-CD1 3.89Å; I388-L404 HydrophobicContact CD1-CG 4.28Å
389T98.9Very high98.8Very high48 Ų4846.7 Ų46.729%0.29425%0.249SC..Hα-helixtrans-61.4-36.6177.6-61.90000112.5W385 Q386 A387 S391 A397 A400W385-T389 PolarHBondContact NE1-OG1 2.86Å; W385-T389 VanDerWaalsContact O-CB 3.24Å; W385-T389 WeakPolarHBondContact O-CB 3.45Å; W385-T389 PolarHBondContact O-N 3.09Å; W385-T389 PolarHBondContact O-OG1 3.38Å; Q386-T389 PolarHBondContact O-N 3.39Å; A387-T389 PolarHBondContact O-N 3.43Å; T389-S391 VanDerWaalsContact C-N 3.34Å; T389-A397 HydrophobicContact CG2-CB 3.68Å; T389-A400 VanDerWaalsContact OG1-CB 3.3Å; T389-A400 WeakPolarHBondContact OG1-CB 3.4Å
390L98.9Very high98.8Very high68 Ų6841.4 Ų41.436%0.35623%0.229SC..Hα-helixtrans-79.1-19-176.9-169.563.8000112.7Q364 A367 V368 L371 Q386 A387 I388 K392Q364-L390 HydrophobicContact CG-CG 4.36Å; Q364-L390 PolarHBondContact NE2-O 3.37Å; A367-L390 HydrophobicContact CB-CD2 3.52Å; V368-L390 HydrophobicContact CG2-CB 3.95Å; V368-L390 HydrophobicContact CG2-CD2 4.36Å; V368-L390 HydrophobicContact CG2-CG 4.13Å; L371-L390 HydrophobicContact CD1-CD2 4.1Å; Q386-L390 VanDerWaalsContact O-CB 3.27Å; Q386-L390 WeakPolarHBondContact O-CB 3.46Å; Q386-L390 PolarHBondContact O-N 2.93Å; A387-L390 PolarHBondContact O-N 3.37Å; I388-L390 VanDerWaalsContact C-N 3.29Å; I388-L390 PolarHBondContact O-N 3.37Å; L390-K392 PolarHBondContact O-N 2.86Å
391S98.9Very high98.8Very high2 Ų244 Ų441%0.01424%0.238CC..SBendtrans-59.4130.3178.8-175.40000111.5A387 I388 T389 T393 V394A387-S391 PolarHBondContact O-N 3.17Å; I388-S391 WeakPolarHBondContact O-CB 3.5Å; I388-S391 PolarHBondContact O-N 3.3Å; T389-S391 VanDerWaalsContact C-N 3.34Å; S391-T393 PolarHBondContact O-N 3.5Å; S391-T393 PolarHBondContact OG-N 3.06Å; S391-T393 PolarHBondContact OG-OG1 3.11Å; S391-V394 PolarHBondContact O-N 3.49Å
392K98.8Very high98.8Very high87 Ų8743.9 Ų43.938%0.37824%0.244SC..THydrogen-bonded Turntrans-61.1-15.4176.4-168.1171.2174.4600113.5Y246 L361 L390Y246-K392 HydrophobicContact CD1-CB 4.34Å; Y246-K392 VanDerWaalsContact O-CD 3.25Å; Y246-K392 WeakPolarHBondContact O-CD 3.25Å; Y246-K392 WeakPolarHBondContact O-CE 3.48Å; Y246-K392 WeakPolarHBondContact O-CG 3.47Å; L361-K392 HydrophobicContact CD2-CD 3.82Å; L390-K392 PolarHBondContact O-N 2.86Å
393T98.9Very high98.8Very high8 Ų839.4 Ų39.45%0.04922%0.224CC..THydrogen-bonded Turntrans-81.7-14.1176.4670000113.6V85 G91 Y246 S391V85-T393 HydrophobicContact CB-CG2 4.49Å; G91-T393 VanDerWaalsContact CA-OG1 3.27Å; G91-T393 WeakPolarHBondContact CA-OG1 3.44Å; Y246-T393 HydrophobicContact CD1-CG2 3.99Å; Y246-T393 HydrophobicContact CE1-CG2 4.17Å; S391-T393 PolarHBondContact O-N 3.5Å; S391-T393 PolarHBondContact OG-N 3.06Å; S391-T393 PolarHBondContact OG-OG1 3.11Å
394V98.8Very high98.8Very high13 Ų1337.3 Ų37.38%0.07921%0.214CC..  trans-108.6126-171.7-178.80000110V84 P92 I388 S391 A400V84-V394 HydrophobicContact CG1-CG2 4.08Å; P92-V394 HydrophobicContact CG-CG2 3.68Å; I388-V394 HydrophobicContact CG2-CG1 4.45Å; I388-V394 HydrophobicContact CG2-CG2 3.98Å; I388-V394 WeakPolarHBondContact O-CB 3.38Å; I388-V394 VanDerWaalsContact O-CG2 3.28Å; I388-V394 WeakPolarHBondContact O-CG2 3.21Å; S391-V394 PolarHBondContact O-N 3.49Å; V394-A400 HydrophobicContact CG1-CB 3.8Å
395P98.5Very high98.8Very high96 Ų9640.5 Ų40.562%0.62323%0.231SC*.  trans-79.5-22.1-169.229.3-36.2000114.4V84 V399V84-P395 HydrophobicContact CG2-CG 4.42Å; P395-V399 HydrophobicContact CG-CB 4.19Å; P395-V399 HydrophobicContact CG-CG1 4.17Å; P395-V399 HydrophobicContact CG-CG2 4.13Å
396S98.7Very high98.8Very high44 Ų4440.7 Ų40.731%0.30824%0.235SC..  trans-164.4160.9-177.7640000112.8S398 V399 A400S396-S398 VanDerWaalsContact C-N 3.29Å; S396-S398 PolarHBondContact O-N 3.4Å; S396-S398 PolarHBondContact OG-OG 3.43Å; S396-V399 PolarHBondContact O-N 2.92Å; S396-V399 WeakPolarHBondContact OG-CG2 3.23Å; S396-V399 PolarHBondContact OG-N 2.94Å; S396-A400 WeakPolarHBondContact O-CB 3.41Å; S396-A400 PolarHBondContact O-N 2.97Å
397A98.8Very high98.8Very high41 Ų4136.8 Ų36.834%0.33922%0.216SC..Hα-helixtrans-62.9-31.417700000113.6W385 T389 A400 K401W385-A397 HydrophobicContact CZ2-CB 4.24Å; W385-A397 PolarHBondContact NE1-O 3.21Å; T389-A397 HydrophobicContact CG2-CB 3.68Å; A397-A400 WeakPolarHBondContact O-CB 3.33Å; A397-A400 PolarHBondContact O-N 3.3Å; A397-K401 WeakPolarHBondContact O-CB 3.34Å; A397-K401 PolarHBondContact O-N 3Å
398S98.8Very high98.8Very high88 Ų8839.1 Ų39.162%0.61523%0.229SC*.Hα-helixtrans-68.9-42.2177.150.10000111.8S396 K401 A402S396-S398 VanDerWaalsContact C-N 3.29Å; S396-S398 PolarHBondContact O-N 3.4Å; S396-S398 PolarHBondContact OG-OG 3.43Å; S398-K401 PolarHBondContact O-N 3.12Å; S398-A402 PolarHBondContact O-N 3.38Å; S398-A402 VanDerWaalsContact O-N 3.12Å
399V98.8Very high98.8Very high32 Ų3244.6 Ų44.619%0.19425%0.254CS..Hα-helixtrans-66.1-42.3173.6174.10000110.3H82 V84 P395 S396 K401 A402 I403H82-V399 HydrophobicContact CB-CG1 4.14Å; V84-V399 HydrophobicContact CG2-CG1 3.71Å; P395-V399 HydrophobicContact CG-CB 4.19Å; P395-V399 HydrophobicContact CG-CG1 4.17Å; P395-V399 HydrophobicContact CG-CG2 4.13Å; S396-V399 PolarHBondContact O-N 2.92Å; S396-V399 WeakPolarHBondContact OG-CG2 3.23Å; S396-V399 PolarHBondContact OG-N 2.94Å; V399-K401 VanDerWaalsContact C-N 3.27Å; V399-K401 PolarHBondContact O-N 3.01Å; V399-A402 PolarHBondContact O-N 3.06Å; V399-I403 HydrophobicContact CG1-CD1 3.77Å; V399-I403 HydrophobicContact CG1-CG1 4.4Å; V399-I403 WeakPolarHBondContact O-CG1 3.34Å; V399-I403 PolarHBondContact O-N 3.34Å
400A98.9Very high98.8Very high0 Ų043.8 Ų43.80%025%0.252CS..Hα-helixtrans-54.6-44.5174.400000112.1I388 T389 V394 S396 A397 L404I388-A400 HydrophobicContact CB-CB 4.18Å; I388-A400 HydrophobicContact CG2-CB 3.67Å; T389-A400 VanDerWaalsContact OG1-CB 3.3Å; T389-A400 WeakPolarHBondContact OG1-CB 3.4Å; V394-A400 HydrophobicContact CG1-CB 3.8Å; S396-A400 WeakPolarHBondContact O-CB 3.41Å; S396-A400 PolarHBondContact O-N 2.97Å; A397-A400 WeakPolarHBondContact O-CB 3.33Å; A397-A400 PolarHBondContact O-N 3.3Å; A400-L404 WeakPolarHBondContact O-CB 3.05Å; A400-L404 PolarHBondContact O-N 2.73Å
401K98.9Very high98.8Very high73 Ų7340.6 Ų40.632%0.31724%0.235SC..Hα-helixtrans-65.9-44.5179.8-158.9-166.8178.5-45.40111.9Y381 W385 A397 S398 V399 I403 L404 D405Y381-K401 WeakPolarHBondContact OH-CG 3.42Å; Y381-K401 PolarHBondContact OH-NZ 3.24Å; W385-K401 HydrophobicContact CD2-CG 4.44Å; W385-K401 HydrophobicContact CZ2-CB 4.2Å; W385-K401 HydrophobicContact CZ2-CD 4.37Å; W385-K401 HydrophobicContact CZ2-CG 4.39Å; A397-K401 WeakPolarHBondContact O-CB 3.34Å; A397-K401 PolarHBondContact O-N 3Å; S398-K401 PolarHBondContact O-N 3.12Å; V399-K401 VanDerWaalsContact C-N 3.27Å; V399-K401 PolarHBondContact O-N 3.01Å; K401-I403 VanDerWaalsContact C-N 3.35Å; K401-I403 PolarHBondContact O-N 2.88Å; K401-L404 PolarHBondContact O-N 2.96Å; K401-D405 IonicContact NZ-OD1 2.71Å; K401-D405 PolarHBondContact NZ-OD1 2.96Å; K401-D405 VanDerWaalsContact NZ-OD1 3.17Å; K401-D405 IonicContact NZ-OD2 3.64Å; K401-D405 PolarHBondContact NZ-OD2 2.88Å; K401-D405 VanDerWaalsContact O-CG 3.26Å; K401-D405 PolarHBondContact O-N 3.14Å
402A98.8Very high98.7Very high35 Ų3547.1 Ų47.129%0.28926%0.264SS..Hα-helixtrans-61.6-44.2179.600000111.6S398 V399 D405 E406S398-A402 PolarHBondContact O-N 3.38Å; S398-A402 VanDerWaalsContact O-N 3.12Å; V399-A402 PolarHBondContact O-N 3.06Å; A402-D405 PolarHBondContact O-N 3.25Å; A402-E406 PolarHBondContact O-N 2.87Å
403I98.9Very high98.6Very high0 Ų047.4 Ų47.40%028%0.282CS..Hα-helixtrans-63-46.2174.8-66.7169.8000110.7I78 H82 V84 P92 V399 K401 D405 E406 L407I78-I403 HydrophobicContact CG2-CG2 4.47Å; H82-I403 HydrophobicContact CB-CD1 3.84Å; H82-I403 HydrophobicContact CB-CG1 3.69Å; V84-I403 HydrophobicContact CB-CD1 3.8Å; V84-I403 HydrophobicContact CG1-CD1 4.09Å; V84-I403 HydrophobicContact CG2-CD1 3.68Å; P92-I403 HydrophobicContact CB-CG2 3.62Å; P92-I403 HydrophobicContact CG-CD1 4.25Å; P92-I403 HydrophobicContact CG-CG2 4.14Å; V399-I403 HydrophobicContact CG1-CD1 3.77Å; V399-I403 HydrophobicContact CG1-CG1 4.4Å; V399-I403 WeakPolarHBondContact O-CG1 3.34Å; V399-I403 PolarHBondContact O-N 3.34Å; K401-I403 VanDerWaalsContact C-N 3.35Å; K401-I403 PolarHBondContact O-N 2.88Å; I403-D405 VanDerWaalsContact C-N 3.34Å; I403-D405 PolarHBondContact O-N 2.88Å; I403-E406 PolarHBondContact O-N 2.98Å; I403-L407 HydrophobicContact CG2-CD1 3.58Å; I403-L407 HydrophobicContact CG2-CG 4.07Å; I403-L407 WeakPolarHBondContact O-CB 3.2Å; I403-L407 VanDerWaalsContact O-CG 3.26Å; I403-L407 WeakPolarHBondContact O-CG 3.44Å; I403-L407 PolarHBondContact O-N 3.28Å
404L98.9Very high98.6Very high0 Ų051.9 Ų51.90%030%0.299CS..Hα-helixtrans-57.6-45.7178.7174.355.8000112Y381 L384 W385 I388 A400 K401 E406 L407 L408 W415Y381-L404 HydrophobicContact CD1-CD2 4.37Å; Y381-L404 HydrophobicContact CD2-CD2 4.11Å; Y381-L404 HydrophobicContact CE1-CD2 3.86Å; Y381-L404 HydrophobicContact CE2-CD2 3.6Å; Y381-L404 HydrophobicContact CE2-CG 3.81Å; Y381-L404 HydrophobicContact CG-CD2 4.46Å; Y381-L404 VanDerWaalsContact CZ-CD2 3.43Å; L384-L404 HydrophobicContact CB-CD1 4.28Å; L384-L404 HydrophobicContact CD2-CD1 3.58Å; L384-L404 HydrophobicContact CG-CD1 3.86Å; W385-L404 HydrophobicContact CB-CD2 3.58Å; W385-L404 HydrophobicContact CG-CD2 4.3Å; I388-L404 HydrophobicContact CD1-CB 3.79Å; I388-L404 HydrophobicContact CD1-CD1 3.89Å; I388-L404 HydrophobicContact CD1-CG 4.28Å; A400-L404 WeakPolarHBondContact O-CB 3.05Å; A400-L404 PolarHBondContact O-N 2.73Å; K401-L404 PolarHBondContact O-N 2.96Å; L404-E406 VanDerWaalsContact C-N 3.33Å; L404-E406 PolarHBondContact O-N 2.69Å; L404-L407 PolarHBondContact O-N 3.19Å; L404-L408 WeakPolarHBondContact O-CB 3.38Å; L404-L408 PolarHBondContact O-N 3.22Å; L404-W415 HydrophobicContact CD1-CZ3 4.22Å
405D98.7Very high98.6Very high68 Ų6852.2 Ų52.236%0.36430%0.299SS..Hα-helixtrans-62.8-40.2-177.9-69.1-20.6000111.5Y381 K401 A402 I403 E409Y381-D405 WeakPolarHBondContact CE2-OD1 3.41Å; Y381-D405 PolarHBondContact OH-OD1 3.47Å; K401-D405 IonicContact NZ-OD1 2.71Å; K401-D405 PolarHBondContact NZ-OD1 2.96Å; K401-D405 VanDerWaalsContact NZ-OD1 3.17Å; K401-D405 IonicContact NZ-OD2 3.64Å; K401-D405 PolarHBondContact NZ-OD2 2.88Å; K401-D405 VanDerWaalsContact O-CG 3.26Å; K401-D405 PolarHBondContact O-N 3.14Å; A402-D405 PolarHBondContact O-N 3.25Å; I403-D405 VanDerWaalsContact C-N 3.34Å; I403-D405 PolarHBondContact O-N 2.88Å; D405-E409 PolarHBondContact O-N 2.82Å
406E98.7Very high98.6Very high69 Ų6948.2 Ų48.232%0.32227%0.273SS..Hα-helixtrans-69.8-41.1174.1-76.6-172.8-125.800112.9I78 R81 H82 A402 I403 L404 L408 E409 A410I78-E406 HydrophobicContact CG2-CB 3.72Å; R81-E406 IonicContact NH1-OE2 3.9Å; H82-E406 IonicContact CD2-OE1 3.52Å; H82-E406 IonicContact CE1-OE1 3.89Å; H82-E406 PolarHBondContact CE1-OE1 3.06Å; H82-E406 IonicContact NE2-OE1 2.78Å; H82-E406 PolarHBondContact NE2-OE1 2.91Å; A402-E406 PolarHBondContact O-N 2.87Å; I403-E406 PolarHBondContact O-N 2.98Å; L404-E406 VanDerWaalsContact C-N 3.33Å; L404-E406 PolarHBondContact O-N 2.69Å; E406-L408 VanDerWaalsContact C-N 3.31Å; E406-L408 PolarHBondContact O-N 3.05Å; E406-E409 PolarHBondContact O-N 3.4Å; E406-A410 WeakPolarHBondContact O-CB 3.2Å; E406-A410 PolarHBondContact O-N 3.2Å
407L98.8Very high98.5Very high0 Ų052.1 Ų52.10%029%0.286CS..Hα-helixtrans-64-38.7176.8-70.9173.4000111.3I78 P92 A96 I403 L404 E409 A410 N411 W415I78-L407 HydrophobicContact CB-CD2 4.18Å; I78-L407 HydrophobicContact CD1-CD2 3.94Å; I78-L407 HydrophobicContact CG2-CD2 4.07Å; I78-L407 HydrophobicContact CG2-CG 4.16Å; P92-L407 HydrophobicContact CB-CD1 4.12Å; A96-L407 HydrophobicContact CB-CD1 4.07Å; A96-L407 HydrophobicContact CB-CD2 3.87Å; A96-L407 HydrophobicContact CB-CG 4.46Å; I403-L407 HydrophobicContact CG2-CD1 3.58Å; I403-L407 HydrophobicContact CG2-CG 4.07Å; I403-L407 WeakPolarHBondContact O-CB 3.2Å; I403-L407 VanDerWaalsContact O-CG 3.26Å; I403-L407 WeakPolarHBondContact O-CG 3.44Å; I403-L407 PolarHBondContact O-N 3.28Å; L404-L407 PolarHBondContact O-N 3.19Å; L407-E409 VanDerWaalsContact C-N 3.34Å; L407-E409 PolarHBondContact O-N 2.79Å; L407-A410 PolarHBondContact O-N 3.06Å; L407-N411 VanDerWaalsContact O-CB 3.26Å; L407-N411 WeakPolarHBondContact O-CB 3.46Å; L407-N411 PolarHBondContact O-N 3.42Å; L407-N411 PolarHBondContact O-ND2 3.05Å; L407-W415 HydrophobicContact CB-CH2 3.76Å; L407-W415 HydrophobicContact CB-CZ2 4.31Å
408L98.3Very high98.5Very high50 Ų5051.2 Ų51.226%0.26228%0.275SS..Hα-helixtrans-60-45.4176.8-173.768.3000110.9Y381 L404 E406 N411 K412 W415 L418Y381-L408 HydrophobicContact CD2-CD2 4.31Å; Y381-L408 HydrophobicContact CE2-CD2 4.37Å; L404-L408 WeakPolarHBondContact O-CB 3.38Å; L404-L408 PolarHBondContact O-N 3.22Å; E406-L408 VanDerWaalsContact C-N 3.31Å; E406-L408 PolarHBondContact O-N 3.05Å; L408-N411 PolarHBondContact O-N 3.33Å; L408-K412 PolarHBondContact O-N 3.08Å; L408-W415 HydrophobicContact CD1-CE3 4.02Å; L408-W415 HydrophobicContact CD1-CZ3 4.28Å; L408-L418 HydrophobicContact CD1-CB 4.3Å; L408-L418 HydrophobicContact CD1-CD1 4.03Å; L408-L418 HydrophobicContact CD1-CG 4.24Å
409E98.4Very high98.2Very high115 Ų11557.9 Ų57.954%0.53729%0.287SS..Hα-helixtrans-62.5-49.6175.8-175.761.9-141.900111.5D405 E406 L407 N411 K412D405-E409 PolarHBondContact O-N 2.82Å; E406-E409 PolarHBondContact O-N 3.4Å; L407-E409 VanDerWaalsContact C-N 3.34Å; L407-E409 PolarHBondContact O-N 2.79Å; E409-N411 PolarHBondContact O-N 3.34Å; E409-K412 VanDerWaalsContact CD-CE 3.42Å; E409-K412 WeakPolarHBondContact O-CG 3.29Å; E409-K412 PolarHBondContact O-N 3.5Å; E409-K412 WeakPolarHBondContact OE1-CE 3.46Å; E409-K412 IonicContact OE1-NZ 2.81Å; E409-K412 PolarHBondContact OE1-NZ 2.89Å; E409-K412 WeakPolarHBondContact OE2-CE 2.88Å; E409-K412 IonicContact OE2-NZ 2.71Å; E409-K412 PolarHBondContact OE2-NZ 3.45Å
410A98.7Very high98.1Very high30 Ų3059.2 Ų59.225%0.24829%0.292CS..Hα-helixtrans-61.8-29.1-178.700000113M71 L74 I78 E406 L407M71-A410 WeakPolarHBondContact CE-O 3.44Å; L74-A410 HydrophobicContact CD1-CB 4.05Å; I78-A410 HydrophobicContact CD1-CB 3.77Å; E406-A410 WeakPolarHBondContact O-CB 3.2Å; E406-A410 PolarHBondContact O-N 3.2Å; L407-A410 PolarHBondContact O-N 3.06Å
411N98.8Very high98.1Very high1 Ų162.3 Ų62.31%0.00531%0.307CS..THydrogen-bonded Turntrans-104.211.3-174-71.4-90.8000114.4M71 R100 L407 L408 E409 A413 Y414 W415M71-N411 WeakPolarHBondContact CE-OD1 3.35Å; R100-N411 WeakPolarHBondContact CD-OD1 3.27Å; R100-N411 WeakPolarHBondContact CG-OD1 3.48Å; R100-N411 PolarHBondContact NH1-OD1 3.34Å; L407-N411 VanDerWaalsContact O-CB 3.26Å; L407-N411 WeakPolarHBondContact O-CB 3.46Å; L407-N411 PolarHBondContact O-N 3.42Å; L407-N411 PolarHBondContact O-ND2 3.05Å; L408-N411 PolarHBondContact O-N 3.33Å; E409-N411 PolarHBondContact O-N 3.34Å; N411-A413 PolarHBondContact O-N 3.08Å; N411-Y414 PolarHBondContact O-N 3.48Å; N411-W415 HydrophobicContact CB-CB 4.35Å; N411-W415 HydrophobicContact CB-CD2 3.6Å; N411-W415 VanDerWaalsContact CB-CE2 3.43Å; N411-W415 HydrophobicContact CB-CE3 4.35Å; N411-W415 HydrophobicContact CB-CG 3.6Å; N411-W415 HydrophobicContact CB-CZ2 3.99Å; N411-W415 VanDerWaalsContact CG-CE2 3.49Å; N411-W415 PolarHBondContact O-N 3.43Å; N411-W415 PolarHBondContact OD1-NE1 3.38Å
412K97.4Very high98.1Very high139 Ų13961.7 Ų61.760%0.60431%0.306SS*.THydrogen-bonded Turntrans-48.5-34.8-178.1-84.2-179.9175.6168.50115.4L408 E409 Y414L408-K412 PolarHBondContact O-N 3.08Å; E409-K412 VanDerWaalsContact CD-CE 3.42Å; E409-K412 WeakPolarHBondContact O-CG 3.29Å; E409-K412 PolarHBondContact O-N 3.5Å; E409-K412 WeakPolarHBondContact OE1-CE 3.46Å; E409-K412 IonicContact OE1-NZ 2.81Å; E409-K412 PolarHBondContact OE1-NZ 2.89Å; E409-K412 WeakPolarHBondContact OE2-CE 2.88Å; E409-K412 IonicContact OE2-NZ 2.71Å; E409-K412 PolarHBondContact OE2-NZ 3.45Å; K412-Y414 VanDerWaalsContact C-N 3.34Å
413A97.4Very high98Very high93 Ų9363.2 Ų63.277%0.76931%0.307SS*.THydrogen-bonded Turntrans-80.9-12.5-17900000114.1N411N411-A413 PolarHBondContact O-N 3.08Å
414Y98.4Very high97.9Very high103 Ų10367.2 Ų67.240%0.40433%0.327SS..THydrogen-bonded Turntrans-119.9-36.6-170.4-59.4-75.2000113.4V66 M71 R100 N411 K412V66-Y414 HydrophobicContact CG1-CD1 3.86Å; V66-Y414 HydrophobicContact CG1-CE1 4.4Å; M71-Y414 HydrophobicContact CE-CD2 4.24Å; M71-Y414 HydrophobicContact CE-CE2 4.29Å; M71-Y414 HydrophobicContact CG-CD2 4.18Å; M71-Y414 HydrophobicContact CG-CE2 3.56Å; M71-Y414 HydrophobicContact SD-CD2 4.18Å; M71-Y414 HydrophobicContact SD-CE2 3.63Å; R100-Y414 HydrophobicContact CG-CG 4.18Å; N411-Y414 PolarHBondContact O-N 3.48Å; K412-Y414 VanDerWaalsContact C-N 3.34Å
415W98.6Very high97.9Very high20 Ų2071.7 Ų71.78%0.07635%0.348CS..SBendtrans-80.7155.7-175.5-75.910.7000112.4A96 M99 L384 L404 L407 L408 N411 L418A96-W415 HydrophobicContact CB-CH2 4.46Å; A96-W415 HydrophobicContact CB-CZ2 3.69Å; A96-W415 PolarHBondContact O-NE1 3.48Å; A96-W415 VanDerWaalsContact O-NE1 3.14Å; M99-W415 HydrophobicContact CB-CD2 3.83Å; M99-W415 HydrophobicContact CB-CG 4.03Å; M99-W415 HydrophobicContact CB-CZ2 3.95Å; M99-W415 HydrophobicContact CE-CD2 4.35Å; M99-W415 HydrophobicContact CE-CE3 4.37Å; M99-W415 HydrophobicContact CG-CD2 4.37Å; M99-W415 HydrophobicContact CG-CZ2 4.28Å; L384-W415 HydrophobicContact CD2-CE3 4.11Å; L384-W415 HydrophobicContact CD2-CH2 3.83Å; L384-W415 HydrophobicContact CD2-CZ3 3.4Å; L404-W415 HydrophobicContact CD1-CZ3 4.22Å; L407-W415 HydrophobicContact CB-CH2 3.76Å; L407-W415 HydrophobicContact CB-CZ2 4.31Å; L408-W415 HydrophobicContact CD1-CE3 4.02Å; L408-W415 HydrophobicContact CD1-CZ3 4.28Å; N411-W415 HydrophobicContact CB-CB 4.35Å; N411-W415 HydrophobicContact CB-CD2 3.6Å; N411-W415 VanDerWaalsContact CB-CE2 3.43Å; N411-W415 HydrophobicContact CB-CE3 4.35Å; N411-W415 HydrophobicContact CB-CG 3.6Å; N411-W415 HydrophobicContact CB-CZ2 3.99Å; N411-W415 VanDerWaalsContact CG-CE2 3.49Å; N411-W415 PolarHBondContact O-N 3.43Å; N411-W415 PolarHBondContact OD1-NE1 3.38Å; W415-L418 HydrophobicContact CE3-CD1 4.06Å; W415-L418 HydrophobicContact CZ3-CD1 4.25Å
416P97.8Very high97.8Very high11 Ų1171.9 Ų71.97%0.07135%0.347CS..  trans-37.5145.7149.2-2933.5000113.8M99 W376 R379 L418M99-P416 HydrophobicContact CE-CG 3.92Å; W376-P416 HydrophobicContact CD2-CG 4.26Å; W376-P416 HydrophobicContact CG-CG 3.84Å; R379-P416 VanDerWaalsContact NH1-CA 3.27Å; P416-L418 HydrophobicContact CB-CD2 3.95Å; P416-L418 PolarHBondContact O-N 3.45Å
417E97.5Very high97.8Very high127 Ų12772.2 Ų72.259%0.59335%0.349SS*.  trans-60132.2153-172.3-175.1-147.800108.1R379 R419R379-E417 VanDerWaalsContact CB-O 3.3Å; R379-E417 WeakPolarHBondContact CB-O 3.22Å; R379-E417 WeakPolarHBondContact CD-O 3.33Å; E417-R419 IonicContact OE2-CZ 3.48Å; E417-R419 IonicContact OE2-NE 3.17Å; E417-R419 PolarHBondContact OE2-NE 3.01Å; E417-R419 VanDerWaalsContact OE2-NE 3.16Å; E417-R419 IonicContact OE2-NH2 2.88Å; E417-R419 PolarHBondContact OE2-NH2 3.14Å
418L98Very high97.7Very high21 Ų2178.2 Ų78.211%0.1138%0.378CS..  trans-112131.1174.5-59.9-175.3000109.1M99 R379 L384 L408 W415 P416M99-L418 HydrophobicContact CE-CD1 4.36Å; M99-L418 HydrophobicContact CE-CD2 4.12Å; R379-L418 CarbonylContact O-C 3.49Å; R379-L418 WeakPolarHBondContact O-CA 3.44Å; L384-L418 HydrophobicContact CB-CD1 4.35Å; L384-L418 HydrophobicContact CD2-CD1 3.55Å; L408-L418 HydrophobicContact CD1-CB 4.3Å; L408-L418 HydrophobicContact CD1-CD1 4.03Å; L408-L418 HydrophobicContact CD1-CG 4.24Å; W415-L418 HydrophobicContact CE3-CD1 4.06Å; W415-L418 HydrophobicContact CZ3-CD1 4.25Å; P416-L418 HydrophobicContact CB-CD2 3.95Å; P416-L418 PolarHBondContact O-N 3.45Å
419R92.8Very high97.6Very high228 Ų22880.7 Ų80.786%0.8639%0.389SS*.  trans-112.80-174.8-60.9179.8-175.8173.82.2112.4R379 Y381 E417R379-R419 PolarHBondContact O-N 3.4Å; Y381-R419 WeakPolarHBondContact CB-O 3.35Å; Y381-R419 PolarHBondContact N-O 3.37Å; E417-R419 IonicContact OE2-CZ 3.48Å; E417-R419 IonicContact OE2-NE 3.17Å; E417-R419 PolarHBondContact OE2-NE 3.01Å; E417-R419 VanDerWaalsContact OE2-NE 3.16Å; E417-R419 IonicContact OE2-NH2 2.88Å; E417-R419 PolarHBondContact OE2-NH2 3.14Å

Retrieved 419 of 419 residues in 189.3 ms (Link to these results)

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