A0A077ZCV0_TRITR Loading...

His Phos 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCV0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 264 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
1M96.9Very high96.6Very high16 Ų1627 Ų278%0.07913%0.131CC..  01330-174.5171.366.500109.9V68 T93 F97 L190 L191 V192 T193 L225 Y226M1-V68 HydrophobicContact SD-CG1 4.17Å; M1-T93 HydrophobicContact CE-CG2 3.88Å; M1-F97 HydrophobicContact CE-CB 4.44Å; M1-F97 HydrophobicContact CE-CD2 3.96Å; M1-F97 HydrophobicContact CE-CG 4.39Å; M1-F97 HydrophobicContact SD-CD2 4.45Å; M1-L190 HydrophobicContact CB-CD1 3.97Å; M1-L190 HydrophobicContact CE-CD1 4.29Å; M1-L190 HydrophobicContact CE-CD2 4.16Å; M1-L191 PolarHBondContact N-O 3.08Å; M1-V192 HydrophobicContact CE-CG2 3.76Å; M1-V192 WeakPolarHBondContact O-CA 3.48Å; M1-T193 PolarHBondContact O-N 3.45Å; M1-L225 HydrophobicContact SD-CD2 4.46Å; M1-Y226 CarbonylContact C-O 3.54Å; M1-Y226 WeakPolarHBondContact CA-O 3.41Å
2R97.3Very high96.5Very high39 Ų3932.5 Ų32.515%0.14718%0.175CC..BIsolated β-bridgetrans-70.3147.6170.6-173.8-175.6174.9-161.1-7.1109.9T193 V222 P223 Y224 L225 Y226R2-T193 CarbonylContact C-O 3.47Å; R2-T193 WeakPolarHBondContact CA-O 3.26Å; R2-V222 PolarHBondContact NH1-O 3.44Å; R2-P223 VanDerWaalsContact CD-O 3.23Å; R2-P223 WeakPolarHBondContact CD-O 3.47Å; R2-Y224 VanDerWaalsContact NH2-CE1 3.28Å; R2-L225 WeakPolarHBondContact O-CA 3.42Å; R2-L225 PolarHBondContact O-N 2.9Å; R2-Y226 PolarHBondContact N-O 3.06Å
3H98.1Very high96.3Very high1 Ų132.7 Ų32.71%0.00518%0.176CC..  trans-54.9162.6168.266.874.1000112.8R6 R89 T93 T193 H194 Y224 L225H3-R6 VanDerWaalsContact CE1-CD 3.49Å; H3-R6 WeakPolarHBondContact CE1-CD 3.38Å; H3-R89 HydrophobicContact CB-CB 4.33Å; H3-R89 HydrophobicContact CB-CG 4.24Å; H3-T93 WeakPolarHBondContact CA-OG1 3.23Å; H3-T193 PolarHBondContact N-O 3.3Å; H3-H194 AromaticContact CD2-ND1 3.52Å; H3-H194 AromaticContact NE2-ND1 3.92Å; H3-Y224 AromaticContact CE1-CE1 3.89Å; H3-Y224 WeakPolarHBondContact O-CD1 3.36Å; H3-L225 PolarHBondContact O-N 2.91Å
4G97.7Very high96.3Very high0 Ų030.4 Ų30.40%016%0.163CC..  trans-76.6-173.9174.700000114.2L57 T93 Y224G4-L57 WeakPolarHBondContact O-CD2 3.49Å; G4-T93 PolarHBondContact N-OG1 2.79Å; G4-Y224 VanDerWaalsContact C-CD1 3.48Å; G4-Y224 WeakPolarHBondContact O-CD1 3.47Å; G4-Y224 WeakPolarHBondContact O-CE1 3.09Å
5E97.3Very high96.3Very high19 Ų1929.1 Ų29.19%0.08916%0.156CC..  trans-58.8135178.1-179.9-173.380.400112.5V10 N32 L57 S58 M60 Y224 Y250E5-V10 HydrophobicContact CG-CG2 3.65Å; E5-V10 WeakPolarHBondContact OE1-CG2 3.45Å; E5-N32 PolarHBondContact OE1-ND2 3.21Å; E5-L57 VanDerWaalsContact O-CA 3.23Å; E5-L57 WeakPolarHBondContact O-CA 3.29Å; E5-L57 VanDerWaalsContact O-CD2 3.23Å; E5-L57 WeakPolarHBondContact O-CD2 3.45Å; E5-S58 WeakPolarHBondContact CG-OG 3.48Å; E5-S58 PolarHBondContact O-N 3.3Å; E5-S58 PolarHBondContact O-OG 3.2Å; E5-S58 VanDerWaalsContact OE1-CB 3.26Å; E5-S58 WeakPolarHBondContact OE1-CB 3.36Å; E5-S58 PolarHBondContact OE1-OG 3.44Å; E5-M60 WeakPolarHBondContact OE1-CB 3.32Å; E5-Y224 HydrophobicContact CB-CD2 4.12Å; E5-Y224 HydrophobicContact CB-CE2 3.88Å; E5-Y224 HydrophobicContact CG-CE2 4.07Å; E5-Y250 VanDerWaalsContact CB-OH 3.23Å; E5-Y250 WeakPolarHBondContact CB-OH 3.33Å; E5-Y250 WeakPolarHBondContact OE2-CE2 3.4Å
6R97.5Very high96.1Very high38 Ų3836.3 Ų36.314%0.14318%0.18CC..BIsolated β-bridgetrans-101.9154.1-178.6-46.7-168.6-56.7-114-2.4111.9H3 D8 D9 V10 R89H3-R6 VanDerWaalsContact CE1-CD 3.49Å; H3-R6 WeakPolarHBondContact CE1-CD 3.38Å; R6-D8 VanDerWaalsContact C-N 3.34Å; R6-D8 WeakPolarHBondContact CB-OD1 3.46Å; R6-D8 WeakPolarHBondContact CD-OD1 3.38Å; R6-D8 IonicContact CZ-OD1 3.74Å; R6-D8 IonicContact CZ-OD2 3.55Å; R6-D8 IonicContact NE-OD1 3.8Å; R6-D8 PolarHBondContact NE-OD1 2.77Å; R6-D8 IonicContact NE-OD2 3.46Å; R6-D8 PolarHBondContact NE-OD2 3.25Å; R6-D8 IonicContact NH2-OD1 3.74Å; R6-D8 IonicContact NH2-OD2 3Å; R6-D8 PolarHBondContact NH2-OD2 2.99Å; R6-D8 PolarHBondContact O-N 3.01Å; R6-D9 HydrophobicContact CB-CB 4.45Å; R6-D9 IonicContact CZ-OD1 2.65Å; R6-D9 IonicContact CZ-OD2 3.45Å; R6-D9 IonicContact NE-OD1 3.51Å; R6-D9 IonicContact NE-OD2 2.97Å; R6-D9 PolarHBondContact NE-OD2 3.1Å; R6-D9 IonicContact NH1-OD2 3.23Å; R6-D9 PolarHBondContact NH1-OD2 3.14Å; R6-D9 IonicContact NH2-OD1 2.91Å; R6-D9 PolarHBondContact NH2-OD1 3.1Å; R6-D9 IonicContact NH2-OD2 3.47Å; R6-D9 PolarHBondContact NH2-OD2 3.41Å; R6-D9 PolarHBondContact O-N 3.31Å; R6-V10 WeakPolarHBondContact O-CG2 3.2Å; R6-V10 PolarHBondContact O-N 3.47Å; R6-R89 HydrophobicContact CG-CB 4.47Å
7C97.7Very high96Very high0 Ų039.2 Ų39.20%019%0.189CC..Hα-helixtrans-62.2-39.3176.6-65.90000113.2V10 Y11 F14 M33 P34 P56 L57C7-V10 PolarHBondContact O-N 2.82Å; C7-Y11 PolarHBondContact O-N 3.04Å; C7-F14 HydrophobicContact CB-CD1 4.21Å; C7-F14 HydrophobicContact CB-CD2 3.84Å; C7-F14 HydrophobicContact CB-CE1 4.35Å; C7-F14 HydrophobicContact CB-CE2 3.97Å; C7-F14 HydrophobicContact CB-CG 3.96Å; C7-F14 HydrophobicContact CB-CZ 4.23Å; C7-M33 HydrophobicContact CB-CE 4.1Å; C7-M33 HydrophobicContact CB-SD 3.95Å; C7-P34 VanDerWaalsContact SG-CD 3.55Å; C7-P56 PolarHBondContact N-O 3.42Å; C7-P56 PolarHBondContact SG-O 2.87Å; C7-L57 PolarHBondContact SG-O 2.69Å; C7-L57 VanDerWaalsContact SG-O 3.33Å
8D96.9Very high95.9Very high30 Ų3037 Ų3716%0.1618%0.178CC..Hα-helixtrans-70-30.4-179.364.9-50.6000113.3R6 V10 Y11 S12 F14 P55R6-D8 VanDerWaalsContact C-N 3.34Å; R6-D8 WeakPolarHBondContact CB-OD1 3.46Å; R6-D8 WeakPolarHBondContact CD-OD1 3.38Å; R6-D8 IonicContact CZ-OD1 3.74Å; R6-D8 IonicContact CZ-OD2 3.55Å; R6-D8 IonicContact NE-OD1 3.8Å; R6-D8 PolarHBondContact NE-OD1 2.77Å; R6-D8 IonicContact NE-OD2 3.46Å; R6-D8 PolarHBondContact NE-OD2 3.25Å; R6-D8 IonicContact NH2-OD1 3.74Å; R6-D8 IonicContact NH2-OD2 3Å; R6-D8 PolarHBondContact NH2-OD2 2.99Å; R6-D8 PolarHBondContact O-N 3.01Å; D8-V10 VanDerWaalsContact C-N 3.31Å; D8-Y11 WeakPolarHBondContact CA-O 3.19Å; D8-Y11 CarbonylContact O-C 3.48Å; D8-S12 WeakPolarHBondContact O-CA 3.35Å; D8-S12 PolarHBondContact O-N 3.38Å; D8-S12 VanDerWaalsContact O-N 3.1Å; D8-F14 HydrophobicContact CB-CD1 4.3Å; D8-F14 HydrophobicContact CB-CE1 4.1Å; D8-P55 HydrophobicContact CB-CB 4.02Å; D8-P55 HydrophobicContact CB-CG 4.13Å; D8-P55 WeakPolarHBondContact OD1-CB 3.38Å; D8-P55 WeakPolarHBondContact OD1-CG 3.43Å
9D94.6Very high95.8Very high79 Ų7935.8 Ų35.842%0.42217%0.172SC..Hα-helixtrans-74.2-24.5175.6-79.5-16.2000111.7R6 Y224R6-D9 HydrophobicContact CB-CB 4.45Å; R6-D9 IonicContact CZ-OD1 2.65Å; R6-D9 IonicContact CZ-OD2 3.45Å; R6-D9 IonicContact NE-OD1 3.51Å; R6-D9 IonicContact NE-OD2 2.97Å; R6-D9 PolarHBondContact NE-OD2 3.1Å; R6-D9 IonicContact NH1-OD2 3.23Å; R6-D9 PolarHBondContact NH1-OD2 3.14Å; R6-D9 IonicContact NH2-OD1 2.91Å; R6-D9 PolarHBondContact NH2-OD1 3.1Å; R6-D9 IonicContact NH2-OD2 3.47Å; R6-D9 PolarHBondContact NH2-OD2 3.41Å; R6-D9 PolarHBondContact O-N 3.31Å; D9-Y224 WeakPolarHBondContact CB-OH 3.2Å; D9-Y224 VanDerWaalsContact CG-OH 3.25Å; D9-Y224 PolarHBondContact OD2-OH 3Å
10V94.5Very high95.2Very high49 Ų4938 Ų3830%0.29718%0.182SC..Hα-helixtrans-85-49.7173.2-178.10000110.9E5 R6 C7 D8 M33E5-V10 HydrophobicContact CG-CG2 3.65Å; E5-V10 WeakPolarHBondContact OE1-CG2 3.45Å; R6-V10 WeakPolarHBondContact O-CG2 3.2Å; R6-V10 PolarHBondContact O-N 3.47Å; C7-V10 PolarHBondContact O-N 2.82Å; D8-V10 VanDerWaalsContact C-N 3.31Å; V10-M33 HydrophobicContact CB-CE 3.98Å; V10-M33 HydrophobicContact CG1-CE 4.06Å
11Y94.3Very high94.5Very high26 Ų2643.9 Ų43.910%0.10221%0.209CC..  trans-132.5101.4175.9-66.1-72.3000109.3C7 D8 D13 F14 F29 D30 M33 A255C7-Y11 PolarHBondContact O-N 3.04Å; D8-Y11 WeakPolarHBondContact CA-O 3.19Å; D8-Y11 CarbonylContact O-C 3.48Å; Y11-D13 PolarHBondContact O-N 3.39Å; Y11-F14 WeakPolarHBondContact O-CB 3.44Å; Y11-F14 WeakPolarHBondContact O-CD1 3.33Å; Y11-F14 PolarHBondContact O-N 2.94Å; Y11-F29 HydrophobicContact CD1-CE2 4.33Å; Y11-F29 AromaticContact CD2-CE2 3.57Å; Y11-F29 HydrophobicContact CD2-CE2 3.57Å; Y11-F29 AromaticContact CD2-CZ 3.88Å; Y11-F29 HydrophobicContact CD2-CZ 3.88Å; Y11-F29 HydrophobicContact CE1-CE2 4.46Å; Y11-F29 AromaticContact CE2-CE2 3.73Å; Y11-F29 HydrophobicContact CE2-CE2 3.73Å; Y11-F29 HydrophobicContact CE2-CZ 4.44Å; Y11-F29 AromaticContact CG-CE2 3.9Å; Y11-F29 HydrophobicContact CG-CE2 3.9Å; Y11-F29 HydrophobicContact CG-CZ 4.13Å; Y11-D30 HydrophobicContact CE2-CB 3.78Å; Y11-D30 PolarHBondContact OH-OD2 2.8Å; Y11-M33 HydrophobicContact CD2-CE 3.59Å; Y11-M33 HydrophobicContact CD2-CG 4.29Å; Y11-M33 HydrophobicContact CD2-SD 3.99Å; Y11-M33 HydrophobicContact CE2-CE 4.17Å; Y11-A255 WeakPolarHBondContact OH-CB 3.32Å
12S95.2Very high93.4Very high93 Ų9350.9 Ų50.965%0.6525%0.246SC*.THydrogen-bonded Turntrans-57.6-24.5179.757.70000113.3D8 Q52D8-S12 WeakPolarHBondContact O-CA 3.35Å; D8-S12 PolarHBondContact O-N 3.38Å; D8-S12 VanDerWaalsContact O-N 3.1Å; S12-Q52 PolarHBondContact O-NE2 3.4Å
13D94.2Very high92.8Very high35 Ų3552.3 Ų52.319%0.18726%0.255CS..THydrogen-bonded Turntrans-105.422.617868.6-23.4000114Y11 I15 R16 R17Y11-D13 PolarHBondContact O-N 3.39Å; D13-I15 PolarHBondContact O-N 3.2Å; D13-I15 VanDerWaalsContact O-N 3.1Å; D13-R16 HydrophobicContact CB-CB 4.35Å; D13-R16 WeakPolarHBondContact O-CA 2.98Å; D13-R16 WeakPolarHBondContact O-CB 3.37Å; D13-R16 PolarHBondContact O-N 3.46Å; D13-R16 IonicContact OD2-CZ 3.33Å; D13-R16 IonicContact OD2-NE 3.24Å; D13-R16 PolarHBondContact OD2-NE 2.74Å; D13-R16 IonicContact OD2-NH2 3.99Å; D13-R16 PolarHBondContact OD2-NH2 3.26Å; D13-R17 PolarHBondContact O-N 3.2Å; D13-R17 IonicContact OD1-CZ 3.97Å; D13-R17 IonicContact OD1-NE 2.86Å; D13-R17 PolarHBondContact OD1-NE 2.87Å; D13-R17 IonicContact OD1-NH2 3.21Å; D13-R17 PolarHBondContact OD1-NH2 3.19Å; D13-R17 IonicContact OD2-CZ 3.15Å; D13-R17 IonicContact OD2-NE 3.47Å; D13-R17 PolarHBondContact OD2-NE 2.68Å; D13-R17 IonicContact OD2-NH2 2.59Å
14F95.6Very high92.4Very high0 Ų057 Ų570%028%0.284CS..Hα-helixtrans-54.7-33.3-175.679.2-76.9000113.9C7 D8 Y11 G18 F26 F29 M33 L37 W51 P55C7-F14 HydrophobicContact CB-CD1 4.21Å; C7-F14 HydrophobicContact CB-CD2 3.84Å; C7-F14 HydrophobicContact CB-CE1 4.35Å; C7-F14 HydrophobicContact CB-CE2 3.97Å; C7-F14 HydrophobicContact CB-CG 3.96Å; C7-F14 HydrophobicContact CB-CZ 4.23Å; D8-F14 HydrophobicContact CB-CD1 4.3Å; D8-F14 HydrophobicContact CB-CE1 4.1Å; Y11-F14 WeakPolarHBondContact O-CB 3.44Å; Y11-F14 WeakPolarHBondContact O-CD1 3.33Å; Y11-F14 PolarHBondContact O-N 2.94Å; F14-G18 PolarHBondContact O-N 3.15Å; F14-F26 HydrophobicContact CD2-CE2 4.32Å; F14-F29 HydrophobicContact CB-CE1 4.23Å; F14-F29 HydrophobicContact CB-CZ 3.94Å; F14-F29 WeakPolarHBondContact O-CE1 3.15Å; F14-M33 HydrophobicContact CB-SD 3.91Å; F14-L37 HydrophobicContact CD2-CD1 4.48Å; F14-L37 HydrophobicContact CE2-CD1 3.9Å; F14-W51 WeakPolarHBondContact CZ-O 3.44Å; F14-P55 HydrophobicContact CE1-CB 4.22Å; F14-P55 HydrophobicContact CZ-CB 4.15Å
15I96Very high92.1Very high12 Ų1261.3 Ų61.36%0.06231%0.31CS..Hα-helixtrans-67.3-41.4175-64.2-60.4000111.4D13 G18 Y19 L37 K48 W51 Q52D13-I15 PolarHBondContact O-N 3.2Å; D13-I15 VanDerWaalsContact O-N 3.1Å; I15-G18 PolarHBondContact O-N 3.16Å; I15-Y19 HydrophobicContact CD1-CE2 4.41Å; I15-Y19 HydrophobicContact CG2-CD2 4.05Å; I15-Y19 HydrophobicContact CG2-CE2 4.33Å; I15-Y19 VanDerWaalsContact O-CD2 3.31Å; I15-Y19 WeakPolarHBondContact O-CD2 3.48Å; I15-Y19 PolarHBondContact O-N 2.93Å; I15-L37 HydrophobicContact CD1-CD1 3.84Å; I15-K48 HydrophobicContact CG2-CB 3.74Å; I15-K48 HydrophobicContact CG2-CD 4.38Å; I15-K48 HydrophobicContact CG2-CG 3.95Å; I15-W51 HydrophobicContact CD1-CB 3.46Å; I15-W51 VanDerWaalsContact CD1-CB 3.46Å; I15-W51 HydrophobicContact CD1-CG 4.34Å; I15-W51 HydrophobicContact CG1-CB 4.3Å; I15-Q52 HydrophobicContact CG1-CB 4.27Å
16R94.4Very high92Very high144 Ų14460.7 Ų60.754%0.54331%0.307SS..Hα-helixtrans-64.1-44.3177.1-171-169.563.170.40110.8D13 E20D13-R16 HydrophobicContact CB-CB 4.35Å; D13-R16 WeakPolarHBondContact O-CA 2.98Å; D13-R16 WeakPolarHBondContact O-CB 3.37Å; D13-R16 PolarHBondContact O-N 3.46Å; D13-R16 IonicContact OD2-CZ 3.33Å; D13-R16 IonicContact OD2-NE 3.24Å; D13-R16 PolarHBondContact OD2-NE 2.74Å; D13-R16 IonicContact OD2-NH2 3.99Å; D13-R16 PolarHBondContact OD2-NH2 3.26Å; R16-E20 IonicContact NH1-OE1 3.55Å; R16-E20 WeakPolarHBondContact O-CG 3.42Å
17R93.4Very high91.9Very high85 Ų8563.1 Ų63.132%0.32132%0.32SS..Hα-helixtrans-69-34.3179.4-65-175.3-171.4-1472.3113.5D13 E20 F29D13-R17 PolarHBondContact O-N 3.2Å; D13-R17 IonicContact OD1-CZ 3.97Å; D13-R17 IonicContact OD1-NE 2.86Å; D13-R17 PolarHBondContact OD1-NE 2.87Å; D13-R17 IonicContact OD1-NH2 3.21Å; D13-R17 PolarHBondContact OD1-NH2 3.19Å; D13-R17 IonicContact OD2-CZ 3.15Å; D13-R17 IonicContact OD2-NE 3.47Å; D13-R17 PolarHBondContact OD2-NE 2.68Å; D13-R17 IonicContact OD2-NH2 2.59Å; R17-E20 WeakPolarHBondContact O-CG 3.3Å; R17-F29 HydrophobicContact CB-CD1 3.68Å; R17-F29 HydrophobicContact CB-CD2 4.16Å; R17-F29 HydrophobicContact CB-CE1 3.55Å; R17-F29 HydrophobicContact CB-CE2 4.04Å; R17-F29 HydrophobicContact CB-CG 3.99Å; R17-F29 HydrophobicContact CB-CZ 3.73Å; R17-F29 HydrophobicContact CG-CZ 4.44Å
18G94.7Very high91.7Very high0 Ų068.4 Ų68.40%034%0.34CS..Hα-helixtrans-81.6-12-179.900000114.9F14 I15 F26 H27F14-G18 PolarHBondContact O-N 3.15Å; I15-G18 PolarHBondContact O-N 3.16Å; G18-F26 CarbonylContact O-C 3.34Å; G18-F26 WeakPolarHBondContact O-CA 3.48Å; G18-H27 WeakPolarHBondContact CA-O 3.13Å; G18-H27 PolarHBondContact O-N 2.9Å
19Y93.3Very high91.5Very high15 Ų1570.4 Ų70.46%0.05935%0.347CS..THydrogen-bonded Turntrans-12744.3176.3-66.7-88000110.8I15 V25 F26 L44 K48I15-Y19 HydrophobicContact CD1-CE2 4.41Å; I15-Y19 HydrophobicContact CG2-CD2 4.05Å; I15-Y19 HydrophobicContact CG2-CE2 4.33Å; I15-Y19 VanDerWaalsContact O-CD2 3.31Å; I15-Y19 WeakPolarHBondContact O-CD2 3.48Å; I15-Y19 PolarHBondContact O-N 2.93Å; Y19-V25 WeakPolarHBondContact CD1-O 3.39Å; Y19-V25 VanDerWaalsContact CE1-C 3.5Å; Y19-F26 HydrophobicContact CD2-CD2 4.02Å; Y19-F26 HydrophobicContact CE1-CB 4.12Å; Y19-F26 HydrophobicContact CE2-CB 4.08Å; Y19-F26 AromaticContact CE2-CD2 3.73Å; Y19-F26 HydrophobicContact CE2-CD2 3.73Å; Y19-F26 HydrophobicContact CE2-CG 4.41Å; Y19-L44 HydrophobicContact CE1-CD1 3.97Å; Y19-K48 VanDerWaalsContact CD1-CE 3.43Å; Y19-K48 HydrophobicContact CD2-CD 4.21Å; Y19-K48 HydrophobicContact CD2-CG 4.09Å; Y19-K48 HydrophobicContact CE2-CG 3.93Å; Y19-K48 HydrophobicContact CG-CD 4.3Å
20E85.4Confident91.5Very high79 Ų7968.8 Ų68.837%0.36934%0.338SS..G310 helixtrans-63.4163.5177.9-75-174169.300111.6R16 R17 N22 E23R16-E20 IonicContact NH1-OE1 3.55Å; R16-E20 WeakPolarHBondContact O-CG 3.42Å; R17-E20 WeakPolarHBondContact O-CG 3.3Å; E20-N22 VanDerWaalsContact C-N 3.29Å; E20-N22 PolarHBondContact O-N 3.27Å; E20-N22 VanDerWaalsContact O-N 3.12Å; E20-E23 WeakPolarHBondContact O-CB 3.24Å; E20-E23 WeakPolarHBondContact O-CG 3.38Å; E20-E23 PolarHBondContact O-N 2.89Å
21H79.7Confident91.5Very high162 Ų16272.5 Ų72.575%0.7536%0.356SS*.G310 helixtrans54.933.1173.6-49.996.8000116.4E23H21-E23 PolarHBondContact O-N 2.8Å
22N73.7Confident91.5Very high162 Ų16272.8 Ų72.887%0.86636%0.359SS*.G310 helixtrans62.426.8-177.5-59.8-39.4000114.2E20E20-N22 VanDerWaalsContact C-N 3.29Å; E20-N22 PolarHBondContact O-N 3.27Å; E20-N22 VanDerWaalsContact O-N 3.12Å
23E84.3Confident91.6Very high69 Ų6968.3 Ų68.332%0.32233%0.328SS..  trans-64.5144.9175.4-72.5171.116200112.3E20 H21 H27E20-E23 WeakPolarHBondContact O-CB 3.24Å; E20-E23 WeakPolarHBondContact O-CG 3.38Å; E20-E23 PolarHBondContact O-N 2.89Å; H21-E23 PolarHBondContact O-N 2.8Å; E23-H27 IonicContact OE1-CD2 3.74Å; E23-H27 IonicContact OE1-NE2 4Å; E23-H27 IonicContact OE2-CD2 3.81Å; E23-H27 PolarHBondContact OE2-CD2 2.71Å; E23-H27 IonicContact OE2-CG 3.08Å; E23-H27 IonicContact OE2-NE2 3.83Å; E23-H27 PolarHBondContact OE2-NE2 2.97Å
24T89.3Confident91.7Very high101 Ų10167.4 Ų67.462%0.6232%0.324SS*.SBendtrans-94.6-13.2177.556.50000113.1L44T24-L44 HydrophobicContact CG2-CD2 4.14Å
25V92.6Very high91.7Very high89 Ų8971.9 Ų71.954%0.53935%0.348SS..SBendtrans-115.7145.2-179.8-178.20000108.6Y19 H27Y19-V25 WeakPolarHBondContact CD1-O 3.39Å; Y19-V25 VanDerWaalsContact CE1-C 3.5Å; V25-H27 PolarHBondContact O-CD2 3.1Å; V25-H27 PolarHBondContact O-NE2 2.61Å
26F95.7Very high91.6Very high6 Ų679.4 Ų79.43%0.02638%0.38CS..  trans-76131.2175-179.2-87.6000110.5F14 G18 Y19 F29 P34 L37F14-F26 HydrophobicContact CD2-CE2 4.32Å; G18-F26 CarbonylContact O-C 3.34Å; G18-F26 WeakPolarHBondContact O-CA 3.48Å; Y19-F26 HydrophobicContact CD2-CD2 4.02Å; Y19-F26 HydrophobicContact CE1-CB 4.12Å; Y19-F26 HydrophobicContact CE2-CB 4.08Å; Y19-F26 AromaticContact CE2-CD2 3.73Å; Y19-F26 HydrophobicContact CE2-CD2 3.73Å; Y19-F26 HydrophobicContact CE2-CG 4.41Å; F26-F29 HydrophobicContact CZ-CE1 4.31Å; F26-P34 HydrophobicContact CE1-CG 4.39Å; F26-P34 VanDerWaalsContact CE1-O 3.3Å; F26-P34 WeakPolarHBondContact CE1-O 3.4Å; F26-L37 HydrophobicContact CB-CB 3.9Å; F26-L37 HydrophobicContact CB-CG 4.31Å; F26-L37 HydrophobicContact CD1-CB 4.42Å; F26-L37 HydrophobicContact CD1-CD1 4.44Å; F26-L37 HydrophobicContact CD1-CG 3.99Å; F26-L37 HydrophobicContact CD2-CB 4.28Å; F26-L37 HydrophobicContact CD2-CD1 3.45Å; F26-L37 VanDerWaalsContact CD2-CD1 3.45Å; F26-L37 HydrophobicContact CD2-CG 3.86Å; F26-L37 HydrophobicContact CE1-CG 4.27Å; F26-L37 HydrophobicContact CE2-CD1 3.53Å; F26-L37 HydrophobicContact CE2-CG 4.12Å; F26-L37 HydrophobicContact CG-CB 3.95Å; F26-L37 HydrophobicContact CG-CD1 3.92Å; F26-L37 HydrophobicContact CG-CG 3.78Å; F26-L37 HydrophobicContact CZ-CD1 4.1Å; F26-L37 HydrophobicContact CZ-CG 4.32Å
27H93.6Very high91.5Very high90 Ų9073.2 Ų73.242%0.41736%0.358SS..  trans-111.6130.2175.4-64.2-91.9000110.9G18 E23 V25 F29G18-H27 WeakPolarHBondContact CA-O 3.13Å; G18-H27 PolarHBondContact O-N 2.9Å; E23-H27 IonicContact OE1-CD2 3.74Å; E23-H27 IonicContact OE1-NE2 4Å; E23-H27 IonicContact OE2-CD2 3.81Å; E23-H27 PolarHBondContact OE2-CD2 2.71Å; E23-H27 IonicContact OE2-CG 3.08Å; E23-H27 IonicContact OE2-NE2 3.83Å; E23-H27 PolarHBondContact OE2-NE2 2.97Å; V25-H27 PolarHBondContact O-CD2 3.1Å; V25-H27 PolarHBondContact O-NE2 2.61Å; H27-F29 PolarHBondContact O-N 3.4Å
28R94.8Very high91.5Very high111 Ų11173.3 Ų73.342%0.41937%0.37SS..  trans-71.4110.8176.3-174.117965.2174.43.9110.3D30 M33 P34 D35R28-D30 WeakPolarHBondContact CD-O 3.19Å; R28-D30 WeakPolarHBondContact CG-O 3.22Å; R28-M33 WeakPolarHBondContact CD-O 3.22Å; R28-M33 HydrophobicContact CG-CB 4.13Å; R28-M33 WeakPolarHBondContact CG-O 3.46Å; R28-P34 WeakPolarHBondContact CB-O 3.45Å; R28-D35 VanDerWaalsContact CD-OD1 3.26Å; R28-D35 WeakPolarHBondContact CD-OD1 3.5Å; R28-D35 IonicContact CZ-OD1 3.85Å; R28-D35 IonicContact NE-OD1 3.7Å; R28-D35 PolarHBondContact NE-OD1 3.34Å; R28-D35 IonicContact NH1-OD1 3.61Å; R28-D35 PolarHBondContact NH1-OD1 3.43Å; R28-D35 IonicContact NH1-OD2 2.83Å
29F92.9Very high91.3Very high71 Ų7178.5 Ų78.531%0.31139%0.394SS..  trans-94.9-14.8179.261.5-91.9000114Y11 F14 R17 F26 H27 M33Y11-F29 HydrophobicContact CD1-CE2 4.33Å; Y11-F29 AromaticContact CD2-CE2 3.57Å; Y11-F29 HydrophobicContact CD2-CE2 3.57Å; Y11-F29 AromaticContact CD2-CZ 3.88Å; Y11-F29 HydrophobicContact CD2-CZ 3.88Å; Y11-F29 HydrophobicContact CE1-CE2 4.46Å; Y11-F29 AromaticContact CE2-CE2 3.73Å; Y11-F29 HydrophobicContact CE2-CE2 3.73Å; Y11-F29 HydrophobicContact CE2-CZ 4.44Å; Y11-F29 AromaticContact CG-CE2 3.9Å; Y11-F29 HydrophobicContact CG-CE2 3.9Å; Y11-F29 HydrophobicContact CG-CZ 4.13Å; F14-F29 HydrophobicContact CB-CE1 4.23Å; F14-F29 HydrophobicContact CB-CZ 3.94Å; F14-F29 WeakPolarHBondContact O-CE1 3.15Å; R17-F29 HydrophobicContact CB-CD1 3.68Å; R17-F29 HydrophobicContact CB-CD2 4.16Å; R17-F29 HydrophobicContact CB-CE1 3.55Å; R17-F29 HydrophobicContact CB-CE2 4.04Å; R17-F29 HydrophobicContact CB-CG 3.99Å; R17-F29 HydrophobicContact CB-CZ 3.73Å; R17-F29 HydrophobicContact CG-CZ 4.44Å; F26-F29 HydrophobicContact CZ-CE1 4.31Å; H27-F29 PolarHBondContact O-N 3.4Å; F29-M33 HydrophobicContact CD1-CG 4.46Å; F29-M33 HydrophobicContact CD2-CG 4.5Å; F29-M33 HydrophobicContact CE1-CG 3.83Å; F29-M33 HydrophobicContact CE1-SD 4.28Å; F29-M33 HydrophobicContact CE2-CG 3.89Å; F29-M33 HydrophobicContact CZ-CG 3.52Å; F29-M33 HydrophobicContact CZ-SD 3.8Å
30D93.4Very high91.3Very high45 Ų4578.9 Ų78.924%0.24140%0.395CS..SBendtrans-142143.8179.2-174.2-65.2000109.3Y11 R28 N32 M33Y11-D30 HydrophobicContact CE2-CB 3.78Å; Y11-D30 PolarHBondContact OH-OD2 2.8Å; R28-D30 WeakPolarHBondContact CD-O 3.19Å; R28-D30 WeakPolarHBondContact CG-O 3.22Å; D30-N32 PolarHBondContact O-N 3.25Å; D30-N32 WeakPolarHBondContact OD1-CA 3.03Å; D30-N32 VanDerWaalsContact OD1-CB 3.31Å; D30-N32 WeakPolarHBondContact OD1-CB 3.44Å; D30-N32 PolarHBondContact OD1-N 3.21Å; D30-M33 HydrophobicContact CB-CG 3.97Å; D30-M33 WeakPolarHBondContact O-CB 3.44Å; D30-M33 PolarHBondContact O-N 3.46Å
31L94.2Very high91.7Very high128 Ų12878.1 Ų78.167%0.6739%0.391SS*.THydrogen-bonded Turntrans-64.4-18.8180-73.4-179.6000113.6M33 N59L31-M33 VanDerWaalsContact C-N 3.3Å; L31-N59 PolarHBondContact O-ND2 3.47Å
32N95.8Very high92.3Very high31 Ų3179.1 Ų79.117%0.16640%0.396CS..THydrogen-bonded Turntrans-82.2-7172.3-156.920.2000112.8E5 D30 S58 N59 M60E5-N32 PolarHBondContact OE1-ND2 3.21Å; D30-N32 PolarHBondContact O-N 3.25Å; D30-N32 WeakPolarHBondContact OD1-CA 3.03Å; D30-N32 VanDerWaalsContact OD1-CB 3.31Å; D30-N32 WeakPolarHBondContact OD1-CB 3.44Å; D30-N32 PolarHBondContact OD1-N 3.21Å; N32-S58 CarbonylContact O-C 3.45Å; N32-S58 WeakPolarHBondContact O-CA 3.5Å; N32-S58 VanDerWaalsContact O-CB 3.24Å; N32-S58 WeakPolarHBondContact O-CB 3.47Å; N32-S58 WeakPolarHBondContact OD1-CB 3.41Å; N32-S58 PolarHBondContact OD1-OG 3.31Å; N32-N59 PolarHBondContact O-N 3.34Å; N32-N59 PolarHBondContact OD1-N 3.47Å; N32-M60 WeakPolarHBondContact OD1-CB 3.19Å; N32-M60 PolarHBondContact OD1-N 3.49Å
33M96.6Very high93.3Very high0 Ų077.5 Ų77.50%038%0.384CS..SBendtrans-92.6152.6174.7-63.6-68.210800111.6C7 V10 Y11 F14 R28 F29 D30 L31 N59C7-M33 HydrophobicContact CB-CE 4.1Å; C7-M33 HydrophobicContact CB-SD 3.95Å; V10-M33 HydrophobicContact CB-CE 3.98Å; V10-M33 HydrophobicContact CG1-CE 4.06Å; Y11-M33 HydrophobicContact CD2-CE 3.59Å; Y11-M33 HydrophobicContact CD2-CG 4.29Å; Y11-M33 HydrophobicContact CD2-SD 3.99Å; Y11-M33 HydrophobicContact CE2-CE 4.17Å; F14-M33 HydrophobicContact CB-SD 3.91Å; R28-M33 WeakPolarHBondContact CD-O 3.22Å; R28-M33 HydrophobicContact CG-CB 4.13Å; R28-M33 WeakPolarHBondContact CG-O 3.46Å; F29-M33 HydrophobicContact CD1-CG 4.46Å; F29-M33 HydrophobicContact CD2-CG 4.5Å; F29-M33 HydrophobicContact CE1-CG 3.83Å; F29-M33 HydrophobicContact CE1-SD 4.28Å; F29-M33 HydrophobicContact CE2-CG 3.89Å; F29-M33 HydrophobicContact CZ-CG 3.52Å; F29-M33 HydrophobicContact CZ-SD 3.8Å; D30-M33 HydrophobicContact CB-CG 3.97Å; D30-M33 WeakPolarHBondContact O-CB 3.44Å; D30-M33 PolarHBondContact O-N 3.46Å; L31-M33 VanDerWaalsContact C-N 3.3Å; M33-N59 PolarHBondContact O-ND2 3.29Å
34P96.7Very high93.8Very high16 Ų1676.3 Ų76.310%0.10438%0.379CS..  trans-63.2151.3176.625.7-34.2000111.6C7 F26 R28 K36 L37C7-P34 VanDerWaalsContact SG-CD 3.55Å; F26-P34 HydrophobicContact CE1-CG 4.39Å; F26-P34 VanDerWaalsContact CE1-O 3.3Å; F26-P34 WeakPolarHBondContact CE1-O 3.4Å; R28-P34 WeakPolarHBondContact CB-O 3.45Å; P34-K36 PolarHBondContact O-N 3.03Å; P34-L37 HydrophobicContact CB-CD2 4.34Å; P34-L37 HydrophobicContact CG-CD2 3.61Å; P34-L37 HydrophobicContact CG-CG 4.2Å
35D95Very high94Very high94 Ų9479.6 Ų79.650%0.50338%0.382SS..SBendtrans-65.6-31.9179.7-67.23.8000112.4R28R28-D35 VanDerWaalsContact CD-OD1 3.26Å; R28-D35 WeakPolarHBondContact CD-OD1 3.5Å; R28-D35 IonicContact CZ-OD1 3.85Å; R28-D35 IonicContact NE-OD1 3.7Å; R28-D35 PolarHBondContact NE-OD1 3.34Å; R28-D35 IonicContact NH1-OD1 3.61Å; R28-D35 PolarHBondContact NH1-OD1 3.43Å; R28-D35 IonicContact NH1-OD2 2.83Å
36K93.2Very high94.1Very high169 Ų16976.2 Ų76.274%0.73536%0.363SS*.  trans-149.1145.2-175.4-57.6-178.7-175.5178.50109.2P34P34-K36 PolarHBondContact O-N 3.03Å
37L94.1Very high94.1Very high14 Ų1476 Ų767%0.07336%0.362CS..  trans-115.1112.5162.6-66.7-176.9000108.3F14 I15 F26 P34 W51 P56F14-L37 HydrophobicContact CD2-CD1 4.48Å; F14-L37 HydrophobicContact CE2-CD1 3.9Å; I15-L37 HydrophobicContact CD1-CD1 3.84Å; F26-L37 HydrophobicContact CB-CB 3.9Å; F26-L37 HydrophobicContact CB-CG 4.31Å; F26-L37 HydrophobicContact CD1-CB 4.42Å; F26-L37 HydrophobicContact CD1-CD1 4.44Å; F26-L37 HydrophobicContact CD1-CG 3.99Å; F26-L37 HydrophobicContact CD2-CB 4.28Å; F26-L37 HydrophobicContact CD2-CD1 3.45Å; F26-L37 VanDerWaalsContact CD2-CD1 3.45Å; F26-L37 HydrophobicContact CD2-CG 3.86Å; F26-L37 HydrophobicContact CE1-CG 4.27Å; F26-L37 HydrophobicContact CE2-CD1 3.53Å; F26-L37 HydrophobicContact CE2-CG 4.12Å; F26-L37 HydrophobicContact CG-CB 3.95Å; F26-L37 HydrophobicContact CG-CD1 3.92Å; F26-L37 HydrophobicContact CG-CG 3.78Å; F26-L37 HydrophobicContact CZ-CD1 4.1Å; F26-L37 HydrophobicContact CZ-CG 4.32Å; P34-L37 HydrophobicContact CB-CD2 4.34Å; P34-L37 HydrophobicContact CG-CD2 3.61Å; P34-L37 HydrophobicContact CG-CG 4.2Å; L37-W51 HydrophobicContact CB-CD2 4.42Å; L37-W51 HydrophobicContact CB-CZ2 4.23Å; L37-W51 HydrophobicContact CD1-CB 4.41Å; L37-W51 HydrophobicContact CD1-CD2 4.24Å; L37-W51 HydrophobicContact CD1-CG 4.07Å; L37-W51 HydrophobicContact CD2-CD2 4.22Å; L37-W51 HydrophobicContact CD2-CE3 4.27Å; L37-W51 HydrophobicContact CD2-CH2 4.32Å; L37-W51 HydrophobicContact CD2-CZ2 4.27Å; L37-W51 HydrophobicContact CD2-CZ3 4.32Å; L37-P56 HydrophobicContact CD2-CG 3.82Å
38P92Very high94.2Very high88 Ų8873.9 Ų73.957%0.57135%0.352SS*.  trans-65.114917725-31.1000110.6R40 W51P38-R40 PolarHBondContact O-N 3.28Å; P38-W51 HydrophobicContact CG-CH2 4.47Å; P38-W51 HydrophobicContact CG-CZ2 3.92Å; P38-W51 VanDerWaalsContact O-CZ2 3.3Å; P38-W51 WeakPolarHBondContact O-CZ2 3.38Å; P38-W51 PolarHBondContact O-NE1 3.19Å
39Q91.8Very high94.2Very high109 Ų10971.9 Ų71.951%0.50935%0.348SS..  trans-68.7123.7176.3-177.7167.9-27.300109.8H41 E42Q39-H41 WeakPolarHBondContact CG-O 3.45Å; Q39-H41 PolarHBondContact NE2-O 2.97Å; Q39-E42 PolarHBondContact NE2-O 3.14Å
40R93Very high94.4Very high23 Ų2369.2 Ų69.29%0.08734%0.337CS..  trans-93.9-16.9-176.6-65.4171.562.5166.42.8112.9P38 S47 D50 W51 D54 R132 L134P38-R40 PolarHBondContact O-N 3.28Å; R40-S47 PolarHBondContact N-OG 3.37Å; R40-D50 PolarHBondContact NH1-O 3.05Å; R40-W51 VanDerWaalsContact CD-CD2 3.46Å; R40-W51 VanDerWaalsContact CD-CZ2 3.48Å; R40-W51 HydrophobicContact CG-CD2 4.38Å; R40-W51 HydrophobicContact CG-CH2 4.39Å; R40-W51 HydrophobicContact CG-CZ2 3.67Å; R40-W51 VanDerWaalsContact NH1-CE3 3.29Å; R40-D54 PolarHBondContact NH1-O 3.41Å; R40-D54 VanDerWaalsContact NH1-O 3.13Å; R40-D54 IonicContact NH1-OD2 2.8Å; R40-D54 IonicContact NH2-OD2 3.4Å; R40-D54 PolarHBondContact NH2-OD2 3.03Å; R40-R132 PolarHBondContact NH2-O 2.67Å; R40-R132 PolarHBondContact O-NH1 2.88Å; R40-R132 PolarHBondContact O-NH2 3.19Å; R40-L134 HydrophobicContact CG-CD2 4.06Å
41H92.9Very high94.6Very high63 Ų6367.4 Ų67.429%0.29233%0.327SS..SBendtrans-141146.3-171.3-165.4-88.9000109.8Q39 Q43 A46Q39-H41 WeakPolarHBondContact CG-O 3.45Å; Q39-H41 PolarHBondContact NE2-O 2.97Å; H41-Q43 VanDerWaalsContact C-N 3.27Å; H41-Q43 PolarHBondContact ND1-N 3.28Å; H41-Q43 PolarHBondContact ND1-O 2.93Å; H41-Q43 PolarHBondContact O-N 3.07Å; H41-A46 HydrophobicContact CB-CB 4.01Å; H41-A46 WeakPolarHBondContact ND1-CB 3.28Å
42E92.7Very high94.7Very high182 Ų18264.8 Ų64.885%0.8531%0.311SS*.SBendtrans-55.7-42.8178.4-64179.9175.700112.4Q39Q39-E42 PolarHBondContact NE2-O 3.14Å
43Q95Very high94.6Very high128 Ų12866.5 Ų66.560%0.59832%0.323SS*.SBendtrans-82.2122.9171.2-56.7-179.11100111.5H41 Y45 A46 S47H41-Q43 VanDerWaalsContact C-N 3.27Å; H41-Q43 PolarHBondContact ND1-N 3.28Å; H41-Q43 PolarHBondContact ND1-O 2.93Å; H41-Q43 PolarHBondContact O-N 3.07Å; Q43-Y45 VanDerWaalsContact C-N 3.33Å; Q43-Y45 PolarHBondContact O-N 3.07Å; Q43-A46 HydrophobicContact CB-CB 4.34Å; Q43-A46 PolarHBondContact O-N 2.89Å; Q43-S47 PolarHBondContact O-N 2.82Å; Q43-S47 VanDerWaalsContact O-N 3.11Å
44L93.4Very high94.7Very high44 Ų4466.5 Ų66.523%0.2332%0.323CS..Hα-helixtrans-56.6-42.1-179.817763.2000113.2Y19 T24 A46 S47 K48Y19-L44 HydrophobicContact CE1-CD1 3.97Å; T24-L44 HydrophobicContact CG2-CD2 4.14Å; L44-A46 PolarHBondContact O-N 3.48Å; L44-S47 WeakPolarHBondContact O-CB 3.49Å; L44-S47 PolarHBondContact O-N 2.74Å; L44-K48 HydrophobicContact CD1-CG 4.47Å; L44-K48 HydrophobicContact CG-CD 4.44Å; L44-K48 WeakPolarHBondContact O-CG 3.42Å; L44-K48 PolarHBondContact O-N 3.01Å
45Y94.1Very high94.7Very high171 Ų17166 Ų6667%0.67132%0.32SS*.Hα-helixtrans-59.8-46179.2168.5-100.9000112.4Q43 S47 K48 I49Q43-Y45 VanDerWaalsContact C-N 3.33Å; Q43-Y45 PolarHBondContact O-N 3.07Å; Y45-S47 VanDerWaalsContact C-N 3.34Å; Y45-S47 PolarHBondContact O-N 3.12Å; Y45-K48 WeakPolarHBondContact O-CB 3.35Å; Y45-K48 PolarHBondContact O-N 3.2Å; Y45-I49 HydrophobicContact CD1-CD1 3.95Å; Y45-I49 HydrophobicContact CE1-CD1 3.31Å; Y45-I49 HydrophobicContact CE1-CG1 4.44Å; Y45-I49 HydrophobicContact CE2-CD1 4.05Å; Y45-I49 HydrophobicContact CE2-CG1 4.5Å; Y45-I49 PolarHBondContact O-N 2.96Å; Y45-I49 VanDerWaalsContact O-N 3.12Å
46A95.6Very high94.9Very high18 Ų1861.5 Ų61.515%0.14930%0.296CS..Hα-helixtrans-62-43.6175.100000110.8H41 Q43 L44 K48 I49 D50H41-A46 HydrophobicContact CB-CB 4.01Å; H41-A46 WeakPolarHBondContact ND1-CB 3.28Å; Q43-A46 HydrophobicContact CB-CB 4.34Å; Q43-A46 PolarHBondContact O-N 2.89Å; L44-A46 PolarHBondContact O-N 3.48Å; A46-K48 VanDerWaalsContact C-N 3.26Å; A46-K48 PolarHBondContact O-N 3.35Å; A46-I49 WeakPolarHBondContact O-CA 3.46Å; A46-I49 WeakPolarHBondContact O-CB 3.38Å; A46-I49 PolarHBondContact O-N 3.27Å; A46-D50 VanDerWaalsContact C-OD2 3.28Å; A46-D50 PolarHBondContact O-N 3.24Å
47S95.3Very high95.1Very high0 Ų053.5 Ų53.50%026%0.261CS..Hα-helixtrans-58.3-36.6175.4-172.10000113.1R40 Q43 L44 Y45 D50 W51R40-S47 PolarHBondContact N-OG 3.37Å; Q43-S47 PolarHBondContact O-N 2.82Å; Q43-S47 VanDerWaalsContact O-N 3.11Å; L44-S47 WeakPolarHBondContact O-CB 3.49Å; L44-S47 PolarHBondContact O-N 2.74Å; Y45-S47 VanDerWaalsContact C-N 3.34Å; Y45-S47 PolarHBondContact O-N 3.12Å; S47-D50 PolarHBondContact O-N 3.16Å; S47-W51 PolarHBondContact O-N 3.15Å; S47-W51 VanDerWaalsContact O-N 3.12Å
48K95.4Very high95.3Very high47 Ų4752.8 Ų52.820%0.20426%0.257CS..Hα-helixtrans-64.9-42.5175-73.3178.6-177.8-1730111I15 Y19 L44 Y45 A46 W51 Q52I15-K48 HydrophobicContact CG2-CB 3.74Å; I15-K48 HydrophobicContact CG2-CD 4.38Å; I15-K48 HydrophobicContact CG2-CG 3.95Å; Y19-K48 VanDerWaalsContact CD1-CE 3.43Å; Y19-K48 HydrophobicContact CD2-CD 4.21Å; Y19-K48 HydrophobicContact CD2-CG 4.09Å; Y19-K48 HydrophobicContact CE2-CG 3.93Å; Y19-K48 HydrophobicContact CG-CD 4.3Å; L44-K48 HydrophobicContact CD1-CG 4.47Å; L44-K48 HydrophobicContact CG-CD 4.44Å; L44-K48 WeakPolarHBondContact O-CG 3.42Å; L44-K48 PolarHBondContact O-N 3.01Å; Y45-K48 WeakPolarHBondContact O-CB 3.35Å; Y45-K48 PolarHBondContact O-N 3.2Å; A46-K48 VanDerWaalsContact C-N 3.26Å; A46-K48 PolarHBondContact O-N 3.35Å; K48-W51 PolarHBondContact O-N 3.37Å; K48-Q52 PolarHBondContact O-N 3.02Å
49I95.4Very high95.5Very high69 Ų6950.2 Ų50.235%0.35424%0.239SC..Hα-helixtrans-63.3-43.7174-67168.2000111.3Y45 A46 W51 Q52 T53Y45-I49 HydrophobicContact CD1-CD1 3.95Å; Y45-I49 HydrophobicContact CE1-CD1 3.31Å; Y45-I49 HydrophobicContact CE1-CG1 4.44Å; Y45-I49 HydrophobicContact CE2-CD1 4.05Å; Y45-I49 HydrophobicContact CE2-CG1 4.5Å; Y45-I49 PolarHBondContact O-N 2.96Å; Y45-I49 VanDerWaalsContact O-N 3.12Å; A46-I49 WeakPolarHBondContact O-CA 3.46Å; A46-I49 WeakPolarHBondContact O-CB 3.38Å; A46-I49 PolarHBondContact O-N 3.27Å; I49-W51 VanDerWaalsContact C-N 3.29Å; I49-W51 PolarHBondContact O-N 2.9Å; I49-Q52 PolarHBondContact O-N 3.35Å; I49-Q52 VanDerWaalsContact O-N 3.09Å; I49-T53 HydrophobicContact CG2-CG2 4.02Å; I49-T53 WeakPolarHBondContact O-CB 3.21Å; I49-T53 WeakPolarHBondContact O-CG2 3.05Å; I49-T53 PolarHBondContact O-N 3.38Å; I49-T53 PolarHBondContact O-OG1 2.91Å
50D96.9Very high95.7Very high14 Ų1448.4 Ų48.48%0.07523%0.231CC..Hα-helixtrans-61.9-40.4-179.3-61.4-59.3000111.2R40 A46 S47 T53 D54 R132R40-D50 PolarHBondContact NH1-O 3.05Å; A46-D50 VanDerWaalsContact C-OD2 3.28Å; A46-D50 PolarHBondContact O-N 3.24Å; S47-D50 PolarHBondContact O-N 3.16Å; D50-T53 PolarHBondContact O-OG1 2.92Å; D50-D54 PolarHBondContact O-N 3.33Å; D50-R132 VanDerWaalsContact CG-NH2 3.25Å; D50-R132 WeakPolarHBondContact OD1-CB 3.47Å; D50-R132 IonicContact OD1-CZ 3.93Å; D50-R132 IonicContact OD1-NE 3.93Å; D50-R132 PolarHBondContact OD1-NE 2.81Å; D50-R132 VanDerWaalsContact OD1-NE 3.08Å; D50-R132 IonicContact OD1-NH2 3.38Å; D50-R132 IonicContact OD2-CZ 3.74Å; D50-R132 IonicContact OD2-NE 2.68Å; D50-R132 PolarHBondContact OD2-NE 3.02Å; D50-R132 IonicContact OD2-NH2 2.68Å; D50-R132 PolarHBondContact OD2-NH2 3.22Å
51W97.1Very high95.9Very high8 Ų847.3 Ų47.33%0.0323%0.227CC..Hα-helixtrans-68.4-34.6173.1-73.1123.5000113.2F14 I15 L37 P38 R40 S47 K48 I49 D54 P55 P56 I88 L134F14-W51 WeakPolarHBondContact CZ-O 3.44Å; I15-W51 HydrophobicContact CD1-CB 3.46Å; I15-W51 VanDerWaalsContact CD1-CB 3.46Å; I15-W51 HydrophobicContact CD1-CG 4.34Å; I15-W51 HydrophobicContact CG1-CB 4.3Å; L37-W51 HydrophobicContact CB-CD2 4.42Å; L37-W51 HydrophobicContact CB-CZ2 4.23Å; L37-W51 HydrophobicContact CD1-CB 4.41Å; L37-W51 HydrophobicContact CD1-CD2 4.24Å; L37-W51 HydrophobicContact CD1-CG 4.07Å; L37-W51 HydrophobicContact CD2-CD2 4.22Å; L37-W51 HydrophobicContact CD2-CE3 4.27Å; L37-W51 HydrophobicContact CD2-CH2 4.32Å; L37-W51 HydrophobicContact CD2-CZ2 4.27Å; L37-W51 HydrophobicContact CD2-CZ3 4.32Å; P38-W51 HydrophobicContact CG-CH2 4.47Å; P38-W51 HydrophobicContact CG-CZ2 3.92Å; P38-W51 VanDerWaalsContact O-CZ2 3.3Å; P38-W51 WeakPolarHBondContact O-CZ2 3.38Å; P38-W51 PolarHBondContact O-NE1 3.19Å; R40-W51 VanDerWaalsContact CD-CD2 3.46Å; R40-W51 VanDerWaalsContact CD-CZ2 3.48Å; R40-W51 HydrophobicContact CG-CD2 4.38Å; R40-W51 HydrophobicContact CG-CH2 4.39Å; R40-W51 HydrophobicContact CG-CZ2 3.67Å; R40-W51 VanDerWaalsContact NH1-CE3 3.29Å; S47-W51 PolarHBondContact O-N 3.15Å; S47-W51 VanDerWaalsContact O-N 3.12Å; K48-W51 PolarHBondContact O-N 3.37Å; I49-W51 VanDerWaalsContact C-N 3.29Å; I49-W51 PolarHBondContact O-N 2.9Å; W51-D54 CarbonylContact O-C 3.19Å; W51-P55 WeakPolarHBondContact O-CA 3.24Å; W51-P56 HydrophobicContact CE3-CG 4.11Å; W51-P56 HydrophobicContact CZ3-CB 4.11Å; W51-P56 HydrophobicContact CZ3-CG 4.09Å; W51-I88 HydrophobicContact CZ3-CG1 4.39Å; W51-I88 HydrophobicContact CZ3-CG2 4.28Å; W51-L134 HydrophobicContact CH2-CD1 4.35Å
52Q95.8Very high96.2Very high72 Ų7245.5 Ų45.534%0.33622%0.219SC..Hα-helixtrans-68.7-37.3176.1-170.968.150.200112.3S12 I15 K48 I49S12-Q52 PolarHBondContact O-NE2 3.4Å; I15-Q52 HydrophobicContact CG1-CB 4.27Å; K48-Q52 PolarHBondContact O-N 3.02Å; I49-Q52 PolarHBondContact O-N 3.35Å; I49-Q52 VanDerWaalsContact O-N 3.09Å
53T95.3Very high96.4Very high67 Ų6743.5 Ų43.541%0.41121%0.207SC..Hα-helixtrans-89.3-24.1-175540000113.6I49 D50 P55 P131I49-T53 HydrophobicContact CG2-CG2 4.02Å; I49-T53 WeakPolarHBondContact O-CB 3.21Å; I49-T53 WeakPolarHBondContact O-CG2 3.05Å; I49-T53 PolarHBondContact O-N 3.38Å; I49-T53 PolarHBondContact O-OG1 2.91Å; D50-T53 PolarHBondContact O-OG1 2.92Å; T53-P55 VanDerWaalsContact C-CD 3.48Å; T53-P131 WeakPolarHBondContact O-CG 3.08Å
54D97.2Very high96.5Very high0 Ų037.5 Ų37.50%018%0.179CC..SBendtrans-127.475.3168.9-173.534.2000109.4R40 D50 W51 S87 I88 R89 P131R40-D54 PolarHBondContact NH1-O 3.41Å; R40-D54 VanDerWaalsContact NH1-O 3.13Å; R40-D54 IonicContact NH1-OD2 2.8Å; R40-D54 IonicContact NH2-OD2 3.4Å; R40-D54 PolarHBondContact NH2-OD2 3.03Å; D50-D54 PolarHBondContact O-N 3.33Å; W51-D54 CarbonylContact O-C 3.19Å; D54-S87 VanDerWaalsContact OD1-CA 3.28Å; D54-S87 WeakPolarHBondContact OD1-CA 3.21Å; D54-S87 WeakPolarHBondContact OD1-CB 3.45Å; D54-I88 WeakPolarHBondContact O-CG2 3.31Å; D54-I88 PolarHBondContact OD1-N 2.95Å; D54-I88 VanDerWaalsContact OD1-N 3.11Å; D54-I88 WeakPolarHBondContact OD2-CG2 3.2Å; D54-I88 PolarHBondContact OD2-N 3.46Å; D54-R89 IonicContact OD1-NH1 3.33Å; D54-R89 PolarHBondContact OD1-NH1 3.26Å; D54-P131 HydrophobicContact CB-CB 3.76Å; D54-P131 HydrophobicContact CB-CG 4.48Å
55P97.8Very high96.7Very high5 Ų535.4 Ų35.43%0.03217%0.168CC..PPolyproline II helixtrans-70.4142.4-174.226.4-33.9000111.9D8 F14 W51 T53 I88D8-P55 HydrophobicContact CB-CB 4.02Å; D8-P55 HydrophobicContact CB-CG 4.13Å; D8-P55 WeakPolarHBondContact OD1-CB 3.38Å; D8-P55 WeakPolarHBondContact OD1-CG 3.43Å; F14-P55 HydrophobicContact CE1-CB 4.22Å; F14-P55 HydrophobicContact CZ-CB 4.15Å; W51-P55 WeakPolarHBondContact O-CA 3.24Å; T53-P55 VanDerWaalsContact C-CD 3.48Å; P55-I88 WeakPolarHBondContact O-CG2 3.36Å
56P98.1Very high96.9Very high1 Ų128.1 Ų28.11%0.00614%0.144CC..PPolyproline II helixtrans-77.1168.8175.332.6-29.9000111.4C7 L37 W51 I88C7-P56 PolarHBondContact N-O 3.42Å; C7-P56 PolarHBondContact SG-O 2.87Å; L37-P56 HydrophobicContact CD2-CG 3.82Å; W51-P56 HydrophobicContact CE3-CG 4.11Å; W51-P56 HydrophobicContact CZ3-CB 4.11Å; W51-P56 HydrophobicContact CZ3-CG 4.09Å; P56-I88 HydrophobicContact CB-CG2 4.38Å
57L98.3Very high97Very high0 Ų029.1 Ų29.10%015%0.152CC..BIsolated β-bridgetrans-62.6147.5167-65-174.9000111.2G4 E5 C7 H62 R89 Q92 T93G4-L57 WeakPolarHBondContact O-CD2 3.49Å; E5-L57 VanDerWaalsContact O-CA 3.23Å; E5-L57 WeakPolarHBondContact O-CA 3.29Å; E5-L57 VanDerWaalsContact O-CD2 3.23Å; E5-L57 WeakPolarHBondContact O-CD2 3.45Å; C7-L57 PolarHBondContact SG-O 2.69Å; C7-L57 VanDerWaalsContact SG-O 3.33Å; L57-H62 VanDerWaalsContact CB-CD2 3.5Å; L57-H62 WeakPolarHBondContact CB-CD2 3.23Å; L57-R89 HydrophobicContact CD2-CB 3.99Å; L57-Q92 HydrophobicContact CD1-CB 3.69Å; L57-Q92 HydrophobicContact CG-CB 3.89Å; L57-T93 WeakPolarHBondContact CD1-OG1 3.43Å
58S97.5Very high97.1Very high0 Ų029.5 Ų29.50%015%0.154CC..PPolyproline II helixtrans-69.4168.6162.871.40000110.6E5 N32 M60 G61 H62E5-S58 WeakPolarHBondContact CG-OG 3.48Å; E5-S58 PolarHBondContact O-N 3.3Å; E5-S58 PolarHBondContact O-OG 3.2Å; E5-S58 VanDerWaalsContact OE1-CB 3.26Å; E5-S58 WeakPolarHBondContact OE1-CB 3.36Å; E5-S58 PolarHBondContact OE1-OG 3.44Å; N32-S58 CarbonylContact O-C 3.45Å; N32-S58 WeakPolarHBondContact O-CA 3.5Å; N32-S58 VanDerWaalsContact O-CB 3.24Å; N32-S58 WeakPolarHBondContact O-CB 3.47Å; N32-S58 WeakPolarHBondContact OD1-CB 3.41Å; N32-S58 PolarHBondContact OD1-OG 3.31Å; S58-M60 PolarHBondContact O-N 3.42Å; S58-M60 PolarHBondContact OG-N 2.94Å; S58-G61 WeakPolarHBondContact O-CA 3.15Å; S58-G61 PolarHBondContact O-N 3.26Å; S58-G61 VanDerWaalsContact O-N 3.12Å; S58-G61 PolarHBondContact OG-N 3.44Å; S58-H62 PolarHBondContact O-CD2 3.11Å; S58-H62 VanDerWaalsContact O-CD2 3.31Å; S58-H62 PolarHBondContact O-N 3.24Å
59N97.2Very high97.2Very high34 Ų3427.2 Ų27.218%0.18214%0.144CC..Hα-helixtrans-62.5-32.9173.5-79.2-27.5000112L31 N32 M33 H62 K63L31-N59 PolarHBondContact O-ND2 3.47Å; N32-N59 PolarHBondContact O-N 3.34Å; N32-N59 PolarHBondContact OD1-N 3.47Å; M33-N59 PolarHBondContact O-ND2 3.29Å; N59-H62 PolarHBondContact O-N 2.7Å; N59-K63 VanDerWaalsContact O-CG 3.27Å; N59-K63 WeakPolarHBondContact O-CG 3.08Å; N59-K63 PolarHBondContact O-N 2.86Å
60M95.9Very high97.3Very high70 Ų7025.3 Ų25.335%0.34514%0.138SC..Hα-helixtrans-67.2-42.5171.7-170.262.276.600111.2E5 N32 S58 H62 K63 T64 Y250E5-M60 WeakPolarHBondContact OE1-CB 3.32Å; N32-M60 WeakPolarHBondContact OD1-CB 3.19Å; N32-M60 PolarHBondContact OD1-N 3.49Å; S58-M60 PolarHBondContact O-N 3.42Å; S58-M60 PolarHBondContact OG-N 2.94Å; M60-H62 VanDerWaalsContact C-N 3.3Å; M60-H62 PolarHBondContact O-N 3.35Å; M60-K63 PolarHBondContact O-N 3.13Å; M60-K63 VanDerWaalsContact O-N 3.15Å; M60-T64 HydrophobicContact CG-CG2 4.05Å; M60-T64 WeakPolarHBondContact O-CB 3.35Å; M60-T64 WeakPolarHBondContact O-CG2 3.34Å; M60-T64 PolarHBondContact O-N 3.25Å; M60-T64 PolarHBondContact O-OG1 2.78Å; M60-T64 HydrophobicContact SD-CG2 3.91Å; M60-Y250 HydrophobicContact CB-CE2 4.49Å; M60-Y250 HydrophobicContact CG-CD2 4.26Å; M60-Y250 HydrophobicContact CG-CE1 4.27Å; M60-Y250 HydrophobicContact CG-CE2 3.5Å; M60-Y250 VanDerWaalsContact CG-CZ 3.5Å; M60-Y250 WeakPolarHBondContact CG-OH 3.33Å
61G97.4Very high97.3Very high0 Ų028.1 Ų28.10%015%0.151CC..Hα-helixtrans-56.2-44.2172.600000112.1S58 T64 A65S58-G61 WeakPolarHBondContact O-CA 3.15Å; S58-G61 PolarHBondContact O-N 3.26Å; S58-G61 VanDerWaalsContact O-N 3.12Å; S58-G61 PolarHBondContact OG-N 3.44Å; G61-T64 PolarHBondContact O-OG1 3.07Å; G61-A65 VanDerWaalsContact O-CB 3.25Å; G61-A65 WeakPolarHBondContact O-CB 3.32Å; G61-A65 PolarHBondContact O-N 3.23Å; G61-A65 VanDerWaalsContact O-N 3.09Å
62H98Very high97.3Very high26 Ų2628.4 Ų28.412%0.1215%0.153CC..Hα-helixtrans-61.6-45.3174.2-88.1-97.1000112.8L57 S58 N59 M60 A66 Q92 R96L57-H62 VanDerWaalsContact CB-CD2 3.5Å; L57-H62 WeakPolarHBondContact CB-CD2 3.23Å; S58-H62 PolarHBondContact O-CD2 3.11Å; S58-H62 VanDerWaalsContact O-CD2 3.31Å; S58-H62 PolarHBondContact O-N 3.24Å; N59-H62 PolarHBondContact O-N 2.7Å; M60-H62 VanDerWaalsContact C-N 3.3Å; M60-H62 PolarHBondContact O-N 3.35Å; H62-A66 PolarHBondContact O-N 3.23Å; H62-Q92 PolarHBondContact NE2-NE2 3.13Å; H62-R96 HydrophobicContact CB-CG 4.28Å; H62-R96 WeakPolarHBondContact ND1-CG 3.49Å; H62-R96 PolarHBondContact ND1-NE 3Å
63K97.3Very high97.4Very high140 Ų14025.3 Ų25.361%0.60914%0.139SC*.Hα-helixtrans-68.7-45.8-177.5-74168.8-175.3170.80111.9N59 M60 A66 A67N59-K63 VanDerWaalsContact O-CG 3.27Å; N59-K63 WeakPolarHBondContact O-CG 3.08Å; N59-K63 PolarHBondContact O-N 2.86Å; M60-K63 PolarHBondContact O-N 3.13Å; M60-K63 VanDerWaalsContact O-N 3.15Å; K63-A66 PolarHBondContact O-N 3.39Å; K63-A67 PolarHBondContact O-N 3.44Å
64T97Very high97.5Very high2 Ų230 Ų301%0.01215%0.151CC..Hα-helixtrans-69-38.6-177.953.40000111.7M60 G61 A66 A67 V68 F248 Y250M60-T64 HydrophobicContact CG-CG2 4.05Å; M60-T64 WeakPolarHBondContact O-CB 3.35Å; M60-T64 WeakPolarHBondContact O-CG2 3.34Å; M60-T64 PolarHBondContact O-N 3.25Å; M60-T64 PolarHBondContact O-OG1 2.78Å; M60-T64 HydrophobicContact SD-CG2 3.91Å; G61-T64 PolarHBondContact O-OG1 3.07Å; T64-A66 VanDerWaalsContact C-N 3.33Å; T64-A66 PolarHBondContact O-N 2.63Å; T64-A67 PolarHBondContact O-N 3.04Å; T64-V68 WeakPolarHBondContact O-CG2 3.02Å; T64-V68 PolarHBondContact O-N 3.33Å; T64-F248 HydrophobicContact CG2-CD1 3.64Å; T64-F248 HydrophobicContact CG2-CE1 3.44Å; T64-F248 VanDerWaalsContact CG2-CE1 3.44Å; T64-F248 HydrophobicContact CG2-CG 4.33Å; T64-F248 HydrophobicContact CG2-CZ 3.95Å; T64-Y250 HydrophobicContact CG2-CD1 4.41Å; T64-Y250 HydrophobicContact CG2-CE1 3.71Å
65A98.1Very high97.5Very high0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-60.1-42.1171.900000112.4G61 G69 T93 R96 F97 L225G61-A65 VanDerWaalsContact O-CB 3.25Å; G61-A65 WeakPolarHBondContact O-CB 3.32Å; G61-A65 PolarHBondContact O-N 3.23Å; G61-A65 VanDerWaalsContact O-N 3.09Å; A65-G69 PolarHBondContact O-N 3.48Å; A65-G69 VanDerWaalsContact O-N 3.16Å; A65-T93 HydrophobicContact CB-CG2 3.99Å; A65-R96 HydrophobicContact CB-CB 3.85Å; A65-F97 WeakPolarHBondContact O-CA 3.33Å; A65-L225 HydrophobicContact CB-CD2 4.17Å
66A98.1Very high97.4Very high18 Ų1842.4 Ų42.415%0.14921%0.207CC..Hα-helixtrans-68.1-38.1175.300000112.8H62 K63 T64 G69 A70 R96 G100H62-A66 PolarHBondContact O-N 3.23Å; K63-A66 PolarHBondContact O-N 3.39Å; T64-A66 VanDerWaalsContact C-N 3.33Å; T64-A66 PolarHBondContact O-N 2.63Å; A66-G69 PolarHBondContact O-N 2.91Å; A66-A70 PolarHBondContact O-N 3.21Å; A66-R96 VanDerWaalsContact CA-O 3.27Å; A66-R96 WeakPolarHBondContact CA-O 3.47Å; A66-R96 HydrophobicContact CB-CB 4.33Å; A66-G100 WeakPolarHBondContact O-CA 3.43Å
67A97.4Very high97.2Very high39 Ų3943.5 Ų43.532%0.32222%0.216SC..Hα-helixtrans-61.6-43.8175.400000111.6K63 T64 G69 A70 E71 F248K63-A67 PolarHBondContact O-N 3.44Å; T64-A67 PolarHBondContact O-N 3.04Å; A67-G69 VanDerWaalsContact C-N 3.35Å; A67-G69 PolarHBondContact O-N 3.23Å; A67-A70 PolarHBondContact O-N 3.28Å; A67-E71 WeakPolarHBondContact O-CB 3.34Å; A67-E71 PolarHBondContact O-N 2.91Å; A67-F248 HydrophobicContact CB-CD2 4.41Å; A67-F248 HydrophobicContact CB-CE2 3.84Å
68V97.7Very high97.1Very high7 Ų746.3 Ų46.34%0.04223%0.231CC..Hα-helixtrans-59.7-45.2174.6172.80000111M1 T64 A70 E71 F72 F97 L225 V245M1-V68 HydrophobicContact SD-CG1 4.17Å; T64-V68 WeakPolarHBondContact O-CG2 3.02Å; T64-V68 PolarHBondContact O-N 3.33Å; V68-A70 PolarHBondContact O-N 3.22Å; V68-E71 PolarHBondContact O-N 3.15Å; V68-F72 HydrophobicContact CG1-CD2 3.92Å; V68-F72 HydrophobicContact CG1-CE2 3.89Å; V68-F72 WeakPolarHBondContact O-CD2 3.32Å; V68-F72 PolarHBondContact O-N 2.87Å; V68-F97 HydrophobicContact CG1-CD2 4.07Å; V68-F97 HydrophobicContact CG1-CE2 4.03Å; V68-L225 HydrophobicContact CG2-CB 4.38Å; V68-L225 HydrophobicContact CG2-CD1 3.88Å; V68-V245 HydrophobicContact CG1-CG1 4.38Å
69G97.9Very high97.1Very high0 Ų046.4 Ų46.40%023%0.232CC..Hα-helixtrans-59.1-45.3175.700000113.3A65 A66 A67 E71 F72 A73 F97 F101A65-G69 PolarHBondContact O-N 3.48Å; A65-G69 VanDerWaalsContact O-N 3.16Å; A66-G69 PolarHBondContact O-N 2.91Å; A67-G69 VanDerWaalsContact C-N 3.35Å; A67-G69 PolarHBondContact O-N 3.23Å; G69-E71 VanDerWaalsContact C-N 3.31Å; G69-E71 PolarHBondContact O-N 3.33Å; G69-F72 PolarHBondContact O-N 3.3Å; G69-A73 PolarHBondContact O-N 3.1Å; G69-F97 WeakPolarHBondContact CA-O 3.22Å; G69-F101 WeakPolarHBondContact O-CA 3.36Å; G69-F101 WeakPolarHBondContact O-CD2 3.28Å
70A97.7Very high97.1Very high28 Ų2846.8 Ų46.823%0.23123%0.234CC..Hα-helixtrans-62-38.8177.100000112.1A66 A67 V68 A73 Y74 G100 V104A66-A70 PolarHBondContact O-N 3.21Å; A67-A70 PolarHBondContact O-N 3.28Å; V68-A70 PolarHBondContact O-N 3.22Å; A70-A73 WeakPolarHBondContact O-CB 3.46Å; A70-A73 PolarHBondContact O-N 3.29Å; A70-Y74 WeakPolarHBondContact O-CB 3.21Å; A70-Y74 PolarHBondContact O-N 2.84Å; A70-G100 WeakPolarHBondContact CA-O 3.16Å; A70-V104 HydrophobicContact CB-CG2 3.96Å
71E97.5Very high97.2Very high74 Ų7446.2 Ų46.235%0.34623%0.228SC..Hα-helixtrans-69.4-40.3178.4-169.861.6-164.800112.2A67 V68 G69 A73 Y74 L75 V245A67-E71 WeakPolarHBondContact O-CB 3.34Å; A67-E71 PolarHBondContact O-N 2.91Å; V68-E71 PolarHBondContact O-N 3.15Å; G69-E71 VanDerWaalsContact C-N 3.31Å; G69-E71 PolarHBondContact O-N 3.33Å; E71-A73 VanDerWaalsContact C-N 3.27Å; E71-A73 PolarHBondContact O-N 3.21Å; E71-Y74 PolarHBondContact O-N 3.1Å; E71-L75 HydrophobicContact CG-CD1 4.03Å; E71-L75 HydrophobicContact CG-CG 4.36Å; E71-L75 WeakPolarHBondContact O-CB 3.49Å; E71-L75 WeakPolarHBondContact O-CG 3.4Å; E71-L75 PolarHBondContact O-N 2.78Å; E71-V245 HydrophobicContact CB-CG1 3.97Å; E71-V245 HydrophobicContact CB-CG2 3.87Å; E71-V245 HydrophobicContact CG-CB 4.31Å; E71-V245 HydrophobicContact CG-CG1 3.75Å; E71-V245 HydrophobicContact CG-CG2 3.69Å
72F97.3Very high97.3Very high14 Ų1446.2 Ų46.26%0.06123%0.228CC..Hα-helixtrans-53.6-47.7171-97.5-105.4000110.9V68 G69 L75 K76 A77 V79 F97 F101 P244 V245V68-F72 HydrophobicContact CG1-CD2 3.92Å; V68-F72 HydrophobicContact CG1-CE2 3.89Å; V68-F72 WeakPolarHBondContact O-CD2 3.32Å; V68-F72 PolarHBondContact O-N 2.87Å; G69-F72 PolarHBondContact O-N 3.3Å; F72-L75 PolarHBondContact O-N 3.48Å; F72-K76 PolarHBondContact O-N 3.39Å; F72-A77 HydrophobicContact CD1-CB 3.78Å; F72-A77 HydrophobicContact CE1-CB 4.42Å; F72-A77 HydrophobicContact CG-CB 4.4Å; F72-A77 PolarHBondContact O-N 3.01Å; F72-V79 HydrophobicContact CD1-CG2 4.09Å; F72-V79 HydrophobicContact CE1-CG2 4.46Å; F72-F97 HydrophobicContact CB-CE2 4.26Å; F72-F97 HydrophobicContact CB-CZ 3.95Å; F72-F97 HydrophobicContact CD1-CE2 4.4Å; F72-F97 AromaticContact CD1-CZ 3.99Å; F72-F97 HydrophobicContact CD1-CZ 3.99Å; F72-F97 AromaticContact CD2-CE2 3.57Å; F72-F97 HydrophobicContact CD2-CE2 3.57Å; F72-F97 AromaticContact CD2-CZ 3.95Å; F72-F97 HydrophobicContact CD2-CZ 3.95Å; F72-F97 HydrophobicContact CE1-CZ 4.47Å; F72-F97 AromaticContact CE2-CE2 3.95Å; F72-F97 HydrophobicContact CE2-CE2 3.95Å; F72-F97 HydrophobicContact CE2-CZ 4.46Å; F72-F97 AromaticContact CG-CE2 3.84Å; F72-F97 HydrophobicContact CG-CE2 3.84Å; F72-F97 AromaticContact CG-CZ 3.71Å; F72-F97 HydrophobicContact CG-CZ 3.71Å; F72-F97 HydrophobicContact CZ-CE2 4.5Å; F72-F101 HydrophobicContact CB-CD2 3.91Å; F72-F101 HydrophobicContact CB-CE2 4.18Å; F72-P244 HydrophobicContact CD1-CG 3.81Å; F72-P244 HydrophobicContact CE1-CG 3.34Å; F72-P244 HydrophobicContact CE2-CG 4.11Å; F72-P244 HydrophobicContact CG-CG 4.37Å; F72-P244 HydrophobicContact CZ-CG 3.51Å; F72-V245 HydrophobicContact CB-CG2 4.4Å; F72-V245 HydrophobicContact CD2-CB 3.93Å; F72-V245 HydrophobicContact CD2-CG2 3.2Å; F72-V245 HydrophobicContact CE2-CB 3.81Å; F72-V245 HydrophobicContact CE2-CG2 3.57Å; F72-V245 HydrophobicContact CG-CG2 3.92Å
73A97.5Very high97.3Very high6 Ų645.3 Ų45.35%0.0522%0.224CC..Hα-helixtrans-66-41.4178.600000113.1G69 A70 E71 L75 K76 F101 V104 H105G69-A73 PolarHBondContact O-N 3.1Å; A70-A73 WeakPolarHBondContact O-CB 3.46Å; A70-A73 PolarHBondContact O-N 3.29Å; E71-A73 VanDerWaalsContact C-N 3.27Å; E71-A73 PolarHBondContact O-N 3.21Å; A73-L75 VanDerWaalsContact C-N 3.35Å; A73-K76 PolarHBondContact O-N 2.68Å; A73-K76 VanDerWaalsContact O-N 3.1Å; A73-F101 HydrophobicContact CB-CD2 3.64Å; A73-F101 HydrophobicContact CB-CE2 3.87Å; A73-F101 HydrophobicContact CB-CG 4.11Å; A73-F101 VanDerWaalsContact CB-O 3.27Å; A73-F101 WeakPolarHBondContact CB-O 3.34Å; A73-V104 HydrophobicContact CB-CB 3.63Å; A73-V104 HydrophobicContact CB-CG1 3.81Å; A73-H105 HydrophobicContact CB-CB 3.67Å
74Y97Very high97.4Very high167 Ų16738.6 Ų38.666%0.65520%0.195SC*.Hα-helixtrans-60.9-43.9176.8177.2-102.2000111.7A70 E71 K76A70-Y74 WeakPolarHBondContact O-CB 3.21Å; A70-Y74 PolarHBondContact O-N 2.84Å; E71-Y74 PolarHBondContact O-N 3.1Å; Y74-K76 PolarHBondContact O-N 2.78Å
75L96.5Very high97.5Very high77 Ų7738.5 Ų38.540%0.40319%0.194SC..THydrogen-bonded Turntrans-76.64.2176.5-61.7178000113.6E71 F72 A73 A77 P244 V245E71-L75 HydrophobicContact CG-CD1 4.03Å; E71-L75 HydrophobicContact CG-CG 4.36Å; E71-L75 WeakPolarHBondContact O-CB 3.49Å; E71-L75 WeakPolarHBondContact O-CG 3.4Å; E71-L75 PolarHBondContact O-N 2.78Å; F72-L75 PolarHBondContact O-N 3.48Å; A73-L75 VanDerWaalsContact C-N 3.35Å; L75-A77 PolarHBondContact O-N 2.95Å; L75-A77 VanDerWaalsContact O-N 3.15Å; L75-P244 WeakPolarHBondContact CD1-O 3.26Å; L75-V245 HydrophobicContact CD1-CG2 4.06Å
76K95.7Very high97.5Very high188 Ų18838.7 Ų38.782%0.81720%0.195SC*.THydrogen-bonded Turntrans56.924.8-177.5-52.6177.5-178.2176.20113.2F72 A73 Y74 N78F72-K76 PolarHBondContact O-N 3.39Å; A73-K76 PolarHBondContact O-N 2.68Å; A73-K76 VanDerWaalsContact O-N 3.1Å; Y74-K76 PolarHBondContact O-N 2.78Å; K76-N78 PolarHBondContact O-N 3.43Å
77A95.2Very high97.5Very high24 Ų2437.9 Ų37.920%0.19819%0.188CC..  trans-78.3100.9172.600000108.8F72 L75 F101 P244F72-A77 HydrophobicContact CD1-CB 3.78Å; F72-A77 HydrophobicContact CE1-CB 4.42Å; F72-A77 HydrophobicContact CG-CB 4.4Å; F72-A77 PolarHBondContact O-N 3.01Å; L75-A77 PolarHBondContact O-N 2.95Å; L75-A77 VanDerWaalsContact O-N 3.15Å; A77-F101 WeakPolarHBondContact O-CE2 3.37Å; A77-P244 HydrophobicContact CB-CB 3.59Å; A77-P244 HydrophobicContact CB-CG 3.63Å
78N94.7Very high97.5Very high59 Ų5936.2 Ų36.232%0.31617%0.174SC..  trans-67152.9-175.3-172.240.9000112.3K76 D80 T188K76-N78 PolarHBondContact O-N 3.43Å; N78-D80 PolarHBondContact ND2-OD1 3.13Å; N78-D80 PolarHBondContact ND2-OD2 3.02Å; N78-D80 VanDerWaalsContact ND2-OD2 3.07Å; N78-T188 WeakPolarHBondContact O-CB 3.18Å; N78-T188 WeakPolarHBondContact O-CG2 3.48Å
79V97.5Very high97.6Very high1 Ų136.4 Ų36.41%0.00617%0.174CC..  trans-136.3123.8168.7178.70000107.3F72 V82 F97 R107 L111 L190F72-V79 HydrophobicContact CD1-CG2 4.09Å; F72-V79 HydrophobicContact CE1-CG2 4.46Å; V79-V82 HydrophobicContact CG1-CG2 3.73Å; V79-F97 HydrophobicContact CG2-CE1 4.02Å; V79-F97 HydrophobicContact CG2-CZ 3.95Å; V79-R107 PolarHBondContact O-NH1 3.2Å; V79-L111 HydrophobicContact CB-CD1 4.47Å; V79-L111 HydrophobicContact CG1-CD1 4.49Å; V79-L190 HydrophobicContact CG1-CB 3.82Å
80D97.6Very high97.6Very high42 Ų4236.4 Ų36.423%0.22517%0.174CC..  trans-100.3-36-176.9-62.2-59.6000112N78 L111 S187 T188N78-D80 PolarHBondContact ND2-OD1 3.13Å; N78-D80 PolarHBondContact ND2-OD2 3.02Å; N78-D80 VanDerWaalsContact ND2-OD2 3.07Å; D80-L111 VanDerWaalsContact O-CD2 3.31Å; D80-L111 WeakPolarHBondContact O-CD2 3.44Å; D80-S187 WeakPolarHBondContact OD2-CA 3.31Å; D80-T188 PolarHBondContact N-O 3.02Å; D80-T188 PolarHBondContact OD2-N 2.81Å
81Y98.5Very high97.7Very high58 Ų5835 Ų3523%0.22716%0.163CC..EExtended strand (participates in β ladder)trans-136.5138.7-177.9-55.7-73.2000111.2I183 P184 T188 V189 L190Y81-I183 HydrophobicContact CD2-CD1 3.61Å; Y81-I183 HydrophobicContact CD2-CG2 4.37Å; Y81-I183 HydrophobicContact CE2-CD1 4.02Å; Y81-I183 HydrophobicContact CE2-CG2 4.36Å; Y81-I183 HydrophobicContact CG-CD1 3.89Å; Y81-P184 WeakPolarHBondContact OH-CD 2.94Å; Y81-T188 PolarHBondContact N-O 3.41Å; Y81-V189 HydrophobicContact CD2-CG2 4.26Å; Y81-V189 WeakPolarHBondContact O-CA 3.34Å; Y81-L190 PolarHBondContact O-N 2.68Å
82V98.8Very high97.7Very high0 Ų032.9 Ų32.90%015%0.153CC..EExtended strand (participates in β ladder)trans-123.6121.1179.6-175.60000109.1V79 A94 V98 L111 V113 R114 L190V79-V82 HydrophobicContact CG1-CG2 3.73Å; V82-A94 HydrophobicContact CG1-CB 3.9Å; V82-V98 HydrophobicContact CG2-CG2 3.94Å; V82-L111 HydrophobicContact CG2-CD1 4.36Å; V82-V113 HydrophobicContact CG1-CG2 4.13Å; V82-R114 PolarHBondContact O-N 2.86Å; V82-L190 WeakPolarHBondContact CA-O 3.47Å; V82-L190 HydrophobicContact CG1-CD2 4.27Å; V82-L190 HydrophobicContact CG2-CB 4.4Å; V82-L190 HydrophobicContact CG2-CD2 4.49Å
83Y98.8Very high97.8Very high7 Ų732.2 Ų32.23%0.02715%0.15CC..EExtended strand (participates in β ladder)trans-114.3149.3173.1-63.8-102.3000109.9R114 Y150 I179 I183 V189 L190 L191 V192Y83-R114 CarbonylContact C-O 3.41Å; Y83-R114 VanDerWaalsContact CA-O 3.25Å; Y83-R114 WeakPolarHBondContact CA-O 3.47Å; Y83-R114 HydrophobicContact CD1-CB 3.6Å; Y83-R114 HydrophobicContact CE1-CB 3.81Å; Y83-R114 HydrophobicContact CE1-CG 4.32Å; Y83-R114 HydrophobicContact CG-CB 4.16Å; Y83-R114 PolarHBondContact OH-NH1 3Å; Y83-Y150 HydrophobicContact CD1-CE1 4.41Å; Y83-Y150 HydrophobicContact CD1-CE2 4.46Å; Y83-Y150 HydrophobicContact CE1-CD2 4.32Å; Y83-Y150 HydrophobicContact CE1-CE1 4.33Å; Y83-Y150 AromaticContact CE1-CE2 3.63Å; Y83-Y150 HydrophobicContact CE1-CE2 3.63Å; Y83-Y150 AromaticContact CE1-CZ 3.63Å; Y83-I179 HydrophobicContact CD1-CD1 3.71Å; Y83-I179 HydrophobicContact CD1-CG1 3.89Å; Y83-I179 HydrophobicContact CD1-CG2 4.37Å; Y83-I179 HydrophobicContact CD2-CG2 4.07Å; Y83-I179 HydrophobicContact CE1-CB 4.37Å; Y83-I179 HydrophobicContact CE1-CD1 4.08Å; Y83-I179 HydrophobicContact CE1-CG1 3.72Å; Y83-I179 HydrophobicContact CE1-CG2 3.92Å; Y83-I179 HydrophobicContact CE2-CG2 3.61Å; Y83-I179 HydrophobicContact CG-CD1 4Å; Y83-I179 HydrophobicContact CG-CG2 4.44Å; Y83-I183 HydrophobicContact CE2-CD1 4.26Å; Y83-V189 HydrophobicContact CD2-CG1 3.62Å; Y83-V189 HydrophobicContact CE2-CG1 3.77Å; Y83-L190 PolarHBondContact N-O 2.68Å; Y83-L191 HydrophobicContact CD2-CD2 3.92Å; Y83-L191 HydrophobicContact CG-CD2 4.02Å; Y83-V192 PolarHBondContact O-N 3.21Å
84S98.9Very high97.8Very high0 Ų032 Ų320%015%0.148CC..EExtended strand (participates in β ladder)trans-140.7142.5-179.6-164.10000111.8C90 V91 R114 V115 E116 V192S84-C90 WeakPolarHBondContact OG-CB 3.43Å; S84-C90 PolarHBondContact OG-O 3.15Å; S84-V91 PolarHBondContact OG-N 3.01Å; S84-R114 PolarHBondContact N-O 2.87Å; S84-V115 WeakPolarHBondContact O-CA 3.49Å; S84-E116 PolarHBondContact O-N 3.33Å; S84-V192 WeakPolarHBondContact CA-O 3.5Å
85S98.7Very high97.9Very high0 Ų024.2 Ų24.20%012%0.118CC..  trans-54.4148.1161.1157.10000110.9S87 C90 V91 V192 H194S85-S87 PolarHBondContact O-N 3.24Å; S85-S87 PolarHBondContact OG-N 3.01Å; S85-S87 PolarHBondContact OG-OG 3.11Å; S85-C90 WeakPolarHBondContact O-CB 3.37Å; S85-V91 WeakPolarHBondContact O-CG2 3.39Å; S85-V192 PolarHBondContact N-O 2.6Å; S85-H194 WeakPolarHBondContact CB-NE2 3.37Å; S85-H194 PolarHBondContact OG-NE2 3.01Å
86P98.4Very high98Very high4 Ų424.6 Ų24.63%0.02611%0.114CC..SBendtrans-67.9-14.8-177.730.9-40000114.5I88 V115 E116 F120 F133 A156P86-I88 PolarHBondContact O-N 2.91Å; P86-V115 HydrophobicContact CB-CG1 3.86Å; P86-E116 WeakPolarHBondContact CD-O 3.39Å; P86-F120 HydrophobicContact CG-CB 4.38Å; P86-F133 HydrophobicContact CB-CB 4.17Å; P86-F133 HydrophobicContact CB-CD1 4.09Å; P86-F133 HydrophobicContact CB-CD2 4.07Å; P86-F133 HydrophobicContact CB-CE2 4.48Å; P86-F133 HydrophobicContact CB-CG 3.83Å; P86-F133 HydrophobicContact CG-CD1 4.2Å; P86-F133 HydrophobicContact CG-CD2 4.01Å; P86-F133 HydrophobicContact CG-CE1 4.16Å; P86-F133 HydrophobicContact CG-CE2 3.92Å; P86-F133 HydrophobicContact CG-CG 4.12Å; P86-F133 HydrophobicContact CG-CZ 4Å; P86-A156 HydrophobicContact CB-CB 3.56Å; P86-A156 HydrophobicContact CG-CB 3.84Å
87S98.3Very high98.2Very high0 Ų015.6 Ų15.60%08%0.075CC..SBendtrans-57.1133174.6-44.50000111.6D54 S85 R89 C90 V91 F120 H194D54-S87 VanDerWaalsContact OD1-CA 3.28Å; D54-S87 WeakPolarHBondContact OD1-CA 3.21Å; D54-S87 WeakPolarHBondContact OD1-CB 3.45Å; S85-S87 PolarHBondContact O-N 3.24Å; S85-S87 PolarHBondContact OG-N 3.01Å; S85-S87 PolarHBondContact OG-OG 3.11Å; S87-R89 PolarHBondContact O-N 3.08Å; S87-R89 VanDerWaalsContact O-N 3.12Å; S87-C90 WeakPolarHBondContact O-CB 3.33Å; S87-C90 PolarHBondContact O-N 2.86Å; S87-V91 PolarHBondContact O-N 3.07Å; S87-F120 WeakPolarHBondContact OG-CD2 3.46Å; S87-F120 WeakPolarHBondContact OG-CE2 3.47Å; S87-H194 PolarHBondContact OG-CE1 3.08Å; S87-H194 PolarHBondContact OG-NE2 2.9Å
88I98.2Very high98.3Very high5 Ų514.7 Ų14.73%0.0267%0.067CC..Hα-helixtrans-57.6-35.6-175-173.955000112.5W51 D54 P55 P56 P86 C90 V91 Q92 L134 L139W51-I88 HydrophobicContact CZ3-CG1 4.39Å; W51-I88 HydrophobicContact CZ3-CG2 4.28Å; D54-I88 WeakPolarHBondContact O-CG2 3.31Å; D54-I88 PolarHBondContact OD1-N 2.95Å; D54-I88 VanDerWaalsContact OD1-N 3.11Å; D54-I88 WeakPolarHBondContact OD2-CG2 3.2Å; D54-I88 PolarHBondContact OD2-N 3.46Å; P55-I88 WeakPolarHBondContact O-CG2 3.36Å; P56-I88 HydrophobicContact CB-CG2 4.38Å; P86-I88 PolarHBondContact O-N 2.91Å; I88-C90 VanDerWaalsContact C-N 3.34Å; I88-C90 PolarHBondContact O-N 2.74Å; I88-V91 PolarHBondContact O-N 2.74Å; I88-Q92 HydrophobicContact CD1-CG 3.86Å; I88-Q92 HydrophobicContact CG1-CG 4.06Å; I88-Q92 VanDerWaalsContact O-CB 3.31Å; I88-Q92 WeakPolarHBondContact O-CB 3.37Å; I88-Q92 VanDerWaalsContact O-CG 3.31Å; I88-Q92 WeakPolarHBondContact O-CG 3.49Å; I88-Q92 PolarHBondContact O-N 2.84Å; I88-L134 HydrophobicContact CD1-CD1 3.85Å; I88-L134 HydrophobicContact CG1-CD1 4.17Å; I88-L139 HydrophobicContact CD1-CD2 3.58Å
89R98.4Very high98.5Very high10 Ų1015.1 Ų15.14%0.0387%0.067CC..Hα-helixtrans-56.9-41.1172.559.7-173.3173.9-83.95.2113.9H3 R6 D54 L57 S87 T93 E121 H194H3-R89 HydrophobicContact CB-CB 4.33Å; H3-R89 HydrophobicContact CB-CG 4.24Å; R6-R89 HydrophobicContact CG-CB 4.47Å; D54-R89 IonicContact OD1-NH1 3.33Å; D54-R89 PolarHBondContact OD1-NH1 3.26Å; L57-R89 HydrophobicContact CD2-CB 3.99Å; S87-R89 PolarHBondContact O-N 3.08Å; S87-R89 VanDerWaalsContact O-N 3.12Å; R89-T93 WeakPolarHBondContact O-CB 3.38Å; R89-T93 PolarHBondContact O-N 2.97Å; R89-T93 PolarHBondContact O-OG1 2.83Å; R89-E121 IonicContact CZ-OE1 3.74Å; R89-E121 IonicContact NH2-OE1 3.49Å; R89-E121 PolarHBondContact NH2-OE1 3.39Å; R89-H194 PolarHBondContact NE-CE1 2.72Å; R89-H194 PolarHBondContact NE-ND1 3.06Å; R89-H194 PolarHBondContact NH2-CE1 3.18Å; R89-H194 VanDerWaalsContact NH2-CE1 3.3Å
90C98.8Very high98.5Very high0 Ų015.1 Ų15.10%07%0.068CC..Hα-helixtrans-73.2-45.7178.6-67.20000109.8S84 S85 S87 I88 T93 A94 V192 H194S84-C90 WeakPolarHBondContact OG-CB 3.43Å; S84-C90 PolarHBondContact OG-O 3.15Å; S85-C90 WeakPolarHBondContact O-CB 3.37Å; S87-C90 WeakPolarHBondContact O-CB 3.33Å; S87-C90 PolarHBondContact O-N 2.86Å; I88-C90 VanDerWaalsContact C-N 3.34Å; I88-C90 PolarHBondContact O-N 2.74Å; C90-T93 WeakPolarHBondContact O-CB 3.43Å; C90-T93 PolarHBondContact O-N 2.86Å; C90-A94 WeakPolarHBondContact O-CB 3.49Å; C90-A94 PolarHBondContact O-N 3.28Å; C90-V192 HydrophobicContact CB-CG1 4.15Å; C90-V192 WeakPolarHBondContact O-CG1 3.25Å; C90-H194 PolarHBondContact SG-CE1 3.34Å
91V98.8Very high98.5Very high0 Ų013.2 Ų13.20%06%0.057CC..Hα-helixtrans-58.4-50.8176.8179.40000110.6S84 S85 S87 I88 T93 A94 C95 V115 L139 L144S84-V91 PolarHBondContact OG-N 3.01Å; S85-V91 WeakPolarHBondContact O-CG2 3.39Å; S87-V91 PolarHBondContact O-N 3.07Å; I88-V91 PolarHBondContact O-N 2.74Å; V91-T93 VanDerWaalsContact C-N 3.3Å; V91-T93 PolarHBondContact O-N 2.88Å; V91-A94 PolarHBondContact O-N 3.38Å; V91-C95 WeakPolarHBondContact O-CB 3.33Å; V91-C95 PolarHBondContact O-N 2.84Å; V91-C95 PolarHBondContact O-SG 2.83Å; V91-V115 HydrophobicContact CG2-CG2 4.22Å; V91-L139 HydrophobicContact CG1-CD1 4.04Å; V91-L139 HydrophobicContact CG1-CD2 4.24Å; V91-L139 HydrophobicContact CG2-CD1 4.29Å; V91-L144 HydrophobicContact CG1-CD1 4.13Å
92Q98.5Very high98.5Very high29 Ų2911.5 Ų11.514%0.1365%0.051CC..Hα-helixtrans-59.7-40.2176.5-74.2174.9-36.400111.9L57 H62 I88 C95 R96L57-Q92 HydrophobicContact CD1-CB 3.69Å; L57-Q92 HydrophobicContact CG-CB 3.89Å; H62-Q92 PolarHBondContact NE2-NE2 3.13Å; I88-Q92 HydrophobicContact CD1-CG 3.86Å; I88-Q92 HydrophobicContact CG1-CG 4.06Å; I88-Q92 VanDerWaalsContact O-CB 3.31Å; I88-Q92 WeakPolarHBondContact O-CB 3.37Å; I88-Q92 VanDerWaalsContact O-CG 3.31Å; I88-Q92 WeakPolarHBondContact O-CG 3.49Å; I88-Q92 PolarHBondContact O-N 2.84Å; Q92-C95 PolarHBondContact O-N 3.16Å; Q92-R96 VanDerWaalsContact O-CB 3.32Å; Q92-R96 WeakPolarHBondContact O-CB 3.46Å; Q92-R96 VanDerWaalsContact O-CG 3.26Å; Q92-R96 WeakPolarHBondContact O-CG 3.4Å; Q92-R96 PolarHBondContact O-N 3.2Å
93T98.8Very high98.4Very high0 Ų017.4 Ų17.40%08%0.077CC..Hα-helixtrans-60.5-50.1175.5-60.70000110.5M1 H3 G4 L57 A65 R89 C90 V91 C95 R96 F97 V192 L225M1-T93 HydrophobicContact CE-CG2 3.88Å; H3-T93 WeakPolarHBondContact CA-OG1 3.23Å; G4-T93 PolarHBondContact N-OG1 2.79Å; L57-T93 WeakPolarHBondContact CD1-OG1 3.43Å; A65-T93 HydrophobicContact CB-CG2 3.99Å; R89-T93 WeakPolarHBondContact O-CB 3.38Å; R89-T93 PolarHBondContact O-N 2.97Å; R89-T93 PolarHBondContact O-OG1 2.83Å; C90-T93 WeakPolarHBondContact O-CB 3.43Å; C90-T93 PolarHBondContact O-N 2.86Å; V91-T93 VanDerWaalsContact C-N 3.3Å; V91-T93 PolarHBondContact O-N 2.88Å; T93-C95 PolarHBondContact O-N 3.46Å; T93-R96 PolarHBondContact O-N 2.88Å; T93-F97 WeakPolarHBondContact O-CB 3.45Å; T93-F97 PolarHBondContact O-N 2.75Å; T93-V192 HydrophobicContact CG2-CG1 3.88Å; T93-L225 HydrophobicContact CG2-CD2 3.65Å
94A98.9Very high98.3Very high0 Ų020.4 Ų20.40%010%0.096CC..Hα-helixtrans-61.3-45.3179.300000111.9V82 C90 V91 F97 V98 V113 V192V82-A94 HydrophobicContact CG1-CB 3.9Å; C90-A94 WeakPolarHBondContact O-CB 3.49Å; C90-A94 PolarHBondContact O-N 3.28Å; V91-A94 PolarHBondContact O-N 3.38Å; A94-F97 WeakPolarHBondContact O-CB 3.5Å; A94-F97 PolarHBondContact O-N 3.45Å; A94-V98 WeakPolarHBondContact O-CG2 3.27Å; A94-V98 PolarHBondContact O-N 3.28Å; A94-V113 HydrophobicContact CB-CG1 3.77Å; A94-V113 HydrophobicContact CB-CG2 3.87Å; A94-V192 HydrophobicContact CB-CB 4.13Å; A94-V192 HydrophobicContact CB-CG2 3.77Å
95C98.7Very high98.2Very high5 Ų523.8 Ų23.83%0.03411%0.112CC..Hα-helixtrans-65.2-41.2178.9-65.20000112.2V91 Q92 T93 V98 E99 L144 P145V91-C95 WeakPolarHBondContact O-CB 3.33Å; V91-C95 PolarHBondContact O-N 2.84Å; V91-C95 PolarHBondContact O-SG 2.83Å; Q92-C95 PolarHBondContact O-N 3.16Å; T93-C95 PolarHBondContact O-N 3.46Å; C95-V98 PolarHBondContact O-N 2.88Å; C95-E99 PolarHBondContact O-N 3.38Å; C95-L144 HydrophobicContact CB-CD2 4Å; C95-P145 HydrophobicContact CB-CG 4.26Å
96R98.6Very high97.8Very high84 Ų8431.2 Ų31.232%0.31714%0.144SC..Hα-helixtrans-70.2-37.5176.8-70.9-57.2-126.4-159.3-7.5112.5H62 A65 A66 Q92 T93 E99 G100H62-R96 HydrophobicContact CB-CG 4.28Å; H62-R96 WeakPolarHBondContact ND1-CG 3.49Å; H62-R96 PolarHBondContact ND1-NE 3Å; A65-R96 HydrophobicContact CB-CB 3.85Å; A66-R96 VanDerWaalsContact CA-O 3.27Å; A66-R96 WeakPolarHBondContact CA-O 3.47Å; A66-R96 HydrophobicContact CB-CB 4.33Å; Q92-R96 VanDerWaalsContact O-CB 3.32Å; Q92-R96 WeakPolarHBondContact O-CB 3.46Å; Q92-R96 VanDerWaalsContact O-CG 3.26Å; Q92-R96 WeakPolarHBondContact O-CG 3.4Å; Q92-R96 PolarHBondContact O-N 3.2Å; T93-R96 PolarHBondContact O-N 2.88Å; R96-E99 VanDerWaalsContact CD-OE2 3.25Å; R96-E99 WeakPolarHBondContact CD-OE2 3.1Å; R96-E99 IonicContact CZ-OE2 3.26Å; R96-E99 IonicContact NE-OE2 2.99Å; R96-E99 IonicContact NH1-OE1 3.03Å; R96-E99 IonicContact NH1-OE2 2.6Å; R96-E99 PolarHBondContact NH1-OE2 3.44Å; R96-E99 PolarHBondContact O-N 2.98Å; R96-G100 PolarHBondContact O-N 3.26Å
97F98.6Very high97.6Very high0 Ų033.7 Ų33.70%015%0.153CC..Hα-helixtrans-55.4-51.5168.7176.4-79.6000110.7M1 A65 V68 G69 F72 V79 T93 A94 E99 G100 F101 L190M1-F97 HydrophobicContact CE-CB 4.44Å; M1-F97 HydrophobicContact CE-CD2 3.96Å; M1-F97 HydrophobicContact CE-CG 4.39Å; M1-F97 HydrophobicContact SD-CD2 4.45Å; A65-F97 WeakPolarHBondContact O-CA 3.33Å; V68-F97 HydrophobicContact CG1-CD2 4.07Å; V68-F97 HydrophobicContact CG1-CE2 4.03Å; G69-F97 WeakPolarHBondContact CA-O 3.22Å; F72-F97 HydrophobicContact CB-CE2 4.26Å; F72-F97 HydrophobicContact CB-CZ 3.95Å; F72-F97 HydrophobicContact CD1-CE2 4.4Å; F72-F97 AromaticContact CD1-CZ 3.99Å; F72-F97 HydrophobicContact CD1-CZ 3.99Å; F72-F97 AromaticContact CD2-CE2 3.57Å; F72-F97 HydrophobicContact CD2-CE2 3.57Å; F72-F97 AromaticContact CD2-CZ 3.95Å; F72-F97 HydrophobicContact CD2-CZ 3.95Å; F72-F97 HydrophobicContact CE1-CZ 4.47Å; F72-F97 AromaticContact CE2-CE2 3.95Å; F72-F97 HydrophobicContact CE2-CE2 3.95Å; F72-F97 HydrophobicContact CE2-CZ 4.46Å; F72-F97 AromaticContact CG-CE2 3.84Å; F72-F97 HydrophobicContact CG-CE2 3.84Å; F72-F97 AromaticContact CG-CZ 3.71Å; F72-F97 HydrophobicContact CG-CZ 3.71Å; F72-F97 HydrophobicContact CZ-CE2 4.5Å; V79-F97 HydrophobicContact CG2-CE1 4.02Å; V79-F97 HydrophobicContact CG2-CZ 3.95Å; T93-F97 WeakPolarHBondContact O-CB 3.45Å; T93-F97 PolarHBondContact O-N 2.75Å; A94-F97 WeakPolarHBondContact O-CB 3.5Å; A94-F97 PolarHBondContact O-N 3.45Å; F97-E99 VanDerWaalsContact C-N 3.33Å; F97-E99 PolarHBondContact O-N 2.98Å; F97-G100 PolarHBondContact O-N 3.26Å; F97-F101 HydrophobicContact CE1-CB 4.24Å; F97-F101 HydrophobicContact CE1-CD2 4.37Å; F97-F101 HydrophobicContact CE1-CG 4.45Å; F97-F101 HydrophobicContact CZ-CD2 4.47Å; F97-F101 VanDerWaalsContact O-CB 3.3Å; F97-F101 WeakPolarHBondContact O-CB 3.45Å; F97-F101 PolarHBondContact O-N 2.93Å; F97-L190 HydrophobicContact CD1-CD2 3.53Å; F97-L190 HydrophobicContact CD2-CD2 4.06Å; F97-L190 HydrophobicContact CE1-CD2 3.53Å; F97-L190 HydrophobicContact CE2-CD2 4.01Å; F97-L190 HydrophobicContact CG-CD2 3.83Å; F97-L190 HydrophobicContact CZ-CD2 3.78Å
98V98.6Very high97.3Very high4 Ų439.6 Ų39.62%0.02419%0.194CC..Hα-helixtrans-58.5-44.8178.6166.20000111.3V82 A94 C95 G100 F101 E102 L111 V113 P145V82-V98 HydrophobicContact CG2-CG2 3.94Å; A94-V98 WeakPolarHBondContact O-CG2 3.27Å; A94-V98 PolarHBondContact O-N 3.28Å; C95-V98 PolarHBondContact O-N 2.88Å; V98-G100 PolarHBondContact O-N 3.33Å; V98-F101 PolarHBondContact O-N 3.18Å; V98-E102 HydrophobicContact CG1-CG 4.43Å; V98-E102 WeakPolarHBondContact O-CG 3.5Å; V98-E102 PolarHBondContact O-N 3.29Å; V98-L111 HydrophobicContact CG1-CB 3.78Å; V98-L111 HydrophobicContact CG2-CB 3.99Å; V98-L111 HydrophobicContact CG2-CD1 4.3Å; V98-V113 HydrophobicContact CG2-CG2 4.25Å; V98-P145 HydrophobicContact CG1-CG 4.29Å
99E97.9Very high97.2Very high68 Ų6844.2 Ų44.232%0.31822%0.222SC..Hα-helixtrans-59-47.5176.9-175.9-169.1156.100112C95 R96 F97 K103C95-E99 PolarHBondContact O-N 3.38Å; R96-E99 VanDerWaalsContact CD-OE2 3.25Å; R96-E99 WeakPolarHBondContact CD-OE2 3.1Å; R96-E99 IonicContact CZ-OE2 3.26Å; R96-E99 IonicContact NE-OE2 2.99Å; R96-E99 IonicContact NH1-OE1 3.03Å; R96-E99 IonicContact NH1-OE2 2.6Å; R96-E99 PolarHBondContact NH1-OE2 3.44Å; R96-E99 PolarHBondContact O-N 2.98Å; F97-E99 VanDerWaalsContact C-N 3.33Å; F97-E99 PolarHBondContact O-N 2.98Å; E99-K103 HydrophobicContact CG-CD 4.47Å; E99-K103 WeakPolarHBondContact O-CB 3.45Å; E99-K103 VanDerWaalsContact O-CG 3.25Å; E99-K103 WeakPolarHBondContact O-CG 3.46Å; E99-K103 PolarHBondContact O-N 2.99Å; E99-K103 VanDerWaalsContact O-N 3.08Å; E99-K103 WeakPolarHBondContact OE1-CE 3.35Å; E99-K103 IonicContact OE1-NZ 2.71Å; E99-K103 PolarHBondContact OE1-NZ 2.98Å
100G98Very high97.1Very high2 Ų249.2 Ų49.22%0.02124%0.244CC..Hα-helixtrans-62.7-45.4176.800000112.6A66 A70 R96 F97 V98 K103A66-G100 WeakPolarHBondContact O-CA 3.43Å; A70-G100 WeakPolarHBondContact CA-O 3.16Å; R96-G100 PolarHBondContact O-N 3.26Å; F97-G100 PolarHBondContact O-N 3.26Å; V98-G100 PolarHBondContact O-N 3.33Å; G100-K103 WeakPolarHBondContact O-CB 3.34Å; G100-K103 PolarHBondContact O-N 2.75Å
101F98.2Very high97.1Very high1 Ų149.6 Ų49.60%0.00425%0.246CC..Hα-helixtrans-59.1-50.4179-175.7-92.3000111.6G69 F72 A73 A77 F97 V98 K103 V104 H105 L111G69-F101 WeakPolarHBondContact O-CA 3.36Å; G69-F101 WeakPolarHBondContact O-CD2 3.28Å; F72-F101 HydrophobicContact CB-CD2 3.91Å; F72-F101 HydrophobicContact CB-CE2 4.18Å; A73-F101 HydrophobicContact CB-CD2 3.64Å; A73-F101 HydrophobicContact CB-CE2 3.87Å; A73-F101 HydrophobicContact CB-CG 4.11Å; A73-F101 VanDerWaalsContact CB-O 3.27Å; A73-F101 WeakPolarHBondContact CB-O 3.34Å; A77-F101 WeakPolarHBondContact O-CE2 3.37Å; F97-F101 HydrophobicContact CE1-CB 4.24Å; F97-F101 HydrophobicContact CE1-CD2 4.37Å; F97-F101 HydrophobicContact CE1-CG 4.45Å; F97-F101 HydrophobicContact CZ-CD2 4.47Å; F97-F101 VanDerWaalsContact O-CB 3.3Å; F97-F101 WeakPolarHBondContact O-CB 3.45Å; F97-F101 PolarHBondContact O-N 2.93Å; V98-F101 PolarHBondContact O-N 3.18Å; F101-K103 VanDerWaalsContact C-N 3.34Å; F101-K103 PolarHBondContact O-N 3.46Å; F101-V104 PolarHBondContact O-N 2.85Å; F101-H105 HydrophobicContact CD1-CB 4.22Å; F101-H105 HydrophobicContact CE1-CB 3.84Å; F101-H105 AromaticContact CE1-CD2 3.84Å; F101-H105 AromaticContact CE1-CG 3.95Å; F101-H105 HydrophobicContact CZ-CB 4.04Å; F101-H105 WeakPolarHBondContact O-CB 3.09Å; F101-H105 PolarHBondContact O-N 3.42Å; F101-L111 HydrophobicContact CD1-CD1 3.86Å; F101-L111 HydrophobicContact CE1-CD1 4.14Å
102E97.4Very high97Very high23 Ų2354.4 Ų54.411%0.10727%0.267CS..Hα-helixtrans-78.8-14.9-177.1-64.9-165.3161.400114.7V98 K106 K110 L111V98-E102 HydrophobicContact CG1-CG 4.43Å; V98-E102 WeakPolarHBondContact O-CG 3.5Å; V98-E102 PolarHBondContact O-N 3.29Å; E102-K106 PolarHBondContact O-NZ 2.62Å; E102-K110 VanDerWaalsContact OE1-CA 3.31Å; E102-K110 WeakPolarHBondContact OE1-CA 3.32Å; E102-K110 WeakPolarHBondContact OE2-CD 3.36Å; E102-K110 IonicContact OE2-NZ 3.87Å; E102-K110 PolarHBondContact OE2-NZ 3.18Å; E102-L111 PolarHBondContact OE1-N 3.29Å
103K97Very high97Very high123 Ų12353 Ų5354%0.53526%0.261SS..Hα-helixtrans-61.8-37.3167.1-85.2174.1-175.8172.50110.9E99 G100 F101 K106E99-K103 HydrophobicContact CG-CD 4.47Å; E99-K103 WeakPolarHBondContact O-CB 3.45Å; E99-K103 VanDerWaalsContact O-CG 3.25Å; E99-K103 WeakPolarHBondContact O-CG 3.46Å; E99-K103 PolarHBondContact O-N 2.99Å; E99-K103 VanDerWaalsContact O-N 3.08Å; E99-K103 WeakPolarHBondContact OE1-CE 3.35Å; E99-K103 IonicContact OE1-NZ 2.71Å; E99-K103 PolarHBondContact OE1-NZ 2.98Å; G100-K103 WeakPolarHBondContact O-CB 3.34Å; G100-K103 PolarHBondContact O-N 2.75Å; F101-K103 VanDerWaalsContact C-N 3.34Å; F101-K103 PolarHBondContact O-N 3.46Å; K103-K106 WeakPolarHBondContact O-CE 3.25Å; K103-K106 PolarHBondContact O-NZ 2.92Å
104V97.1Very high97Very high71 Ų7155.4 Ų55.443%0.4327%0.269SS..Hα-helixtrans-94.9-51.4-179.9178.50000111.5A70 A73 F101 K106A70-V104 HydrophobicContact CB-CG2 3.96Å; A73-V104 HydrophobicContact CB-CB 3.63Å; A73-V104 HydrophobicContact CB-CG1 3.81Å; F101-V104 PolarHBondContact O-N 2.85Å; V104-K106 PolarHBondContact O-N 2.83Å
105H95.7Very high97Very high71 Ų7155.6 Ų55.633%0.32927%0.271SS..SBendtrans-90100.6-178.1-17088.7000111.7A73 F101 R107A73-H105 HydrophobicContact CB-CB 3.67Å; F101-H105 HydrophobicContact CD1-CB 4.22Å; F101-H105 HydrophobicContact CE1-CB 3.84Å; F101-H105 AromaticContact CE1-CD2 3.84Å; F101-H105 AromaticContact CE1-CG 3.95Å; F101-H105 HydrophobicContact CZ-CB 4.04Å; F101-H105 WeakPolarHBondContact O-CB 3.09Å; F101-H105 PolarHBondContact O-N 3.42Å; H105-R107 PolarHBondContact O-N 3.48Å
106K91.8Very high97Very high155 Ų15555.4 Ų55.467%0.67427%0.269SS*.  trans-77110.4177.5-55.9-57.1173.6-162.10110.5E102 K103 V104E102-K106 PolarHBondContact O-NZ 2.62Å; K103-K106 WeakPolarHBondContact O-CE 3.25Å; K103-K106 PolarHBondContact O-NZ 2.92Å; V104-K106 PolarHBondContact O-N 2.83Å
107R92.8Very high97Very high56 Ų5651.4 Ų51.421%0.21126%0.255CS..  trans-120.2149.817758.9-172.1-58.71572.6111.6V79 H105 V109V79-R107 PolarHBondContact O-NH1 3.2Å; H105-R107 PolarHBondContact O-N 3.48Å; R107-V109 VanDerWaalsContact CD-O 3.3Å; R107-V109 WeakPolarHBondContact CD-O 3.46Å; R107-V109 VanDerWaalsContact CG-O 3.26Å; R107-V109 WeakPolarHBondContact CG-O 3.49Å; R107-V109 PolarHBondContact NE-O 3.4Å
108S93.1Very high97Very high124 Ų12451.4 Ų51.487%0.86726%0.255SS*.SBendtrans-72.3-41.6178.453.90000112.4
109V95Very high97Very high102 Ų10251.3 Ų51.362%0.61825%0.254SS*.SBendtrans-97.4121.7176.7-177.80000109.3R107R107-V109 VanDerWaalsContact CD-O 3.3Å; R107-V109 WeakPolarHBondContact CD-O 3.46Å; R107-V109 VanDerWaalsContact CG-O 3.26Å; R107-V109 WeakPolarHBondContact CG-O 3.49Å; R107-V109 PolarHBondContact NE-O 3.4Å
110K96.7Very high97Very high116 Ų11648.1 Ų48.150%0.50424%0.239SC..PPolyproline II helixtrans-75.4137.9-178.5-63.6-70.4177.4-175.10112.4E102E102-K110 VanDerWaalsContact OE1-CA 3.31Å; E102-K110 WeakPolarHBondContact OE1-CA 3.32Å; E102-K110 WeakPolarHBondContact OE2-CD 3.36Å; E102-K110 IonicContact OE2-NZ 3.87Å; E102-K110 PolarHBondContact OE2-NZ 3.18Å
111L98.1Very high96.9Very high7 Ų749.2 Ų49.24%0.03724%0.244CC..PPolyproline II helixtrans-66.5139171-74.7176.1000110V79 D80 V82 V98 F101 E102V79-L111 HydrophobicContact CB-CD1 4.47Å; V79-L111 HydrophobicContact CG1-CD1 4.49Å; D80-L111 VanDerWaalsContact O-CD2 3.31Å; D80-L111 WeakPolarHBondContact O-CD2 3.44Å; V82-L111 HydrophobicContact CG2-CD1 4.36Å; V98-L111 HydrophobicContact CG1-CB 3.78Å; V98-L111 HydrophobicContact CG2-CB 3.99Å; V98-L111 HydrophobicContact CG2-CD1 4.3Å; F101-L111 HydrophobicContact CD1-CD1 3.86Å; F101-L111 HydrophobicContact CE1-CD1 4.14Å; E102-L111 PolarHBondContact OE1-N 3.29Å
112K98.3Very high96.6Very high102 Ų10249.4 Ų49.444%0.44324%0.244SC..  trans-124.7150.9170.8-62.1-174179.6-179.10109.8P145 D147K112-P145 CarbonylContact C-O 3.52Å; K112-P145 VanDerWaalsContact CA-O 3.26Å; K112-P145 WeakPolarHBondContact CA-O 3.43Å; K112-D147 HydrophobicContact CB-CB 3.71Å; K112-D147 HydrophobicContact CD-CB 4.17Å
113V98.8Very high96.3Very high0 Ų049.7 Ų49.70%025%0.247CC..EExtended strand (participates in β ladder)trans-93.8120.3179.8179.30000109.1V82 A94 V98 P145 V146 D147V82-V113 HydrophobicContact CG1-CG2 4.13Å; A94-V113 HydrophobicContact CB-CG1 3.77Å; A94-V113 HydrophobicContact CB-CG2 3.87Å; V98-V113 HydrophobicContact CG2-CG2 4.25Å; V113-P145 PolarHBondContact N-O 2.94Å; V113-V146 WeakPolarHBondContact O-CA 3.3Å; V113-D147 PolarHBondContact O-N 3.48Å
114R98.8Very high95.9Very high49 Ų4948.2 Ų48.219%0.18524%0.24CC..EExtended strand (participates in β ladder)trans-92.9116.6176.3-65.6-179.3179.1146.25.7109.5V82 Y83 S84 D147 Y150V82-R114 PolarHBondContact O-N 2.86Å; Y83-R114 CarbonylContact C-O 3.41Å; Y83-R114 VanDerWaalsContact CA-O 3.25Å; Y83-R114 WeakPolarHBondContact CA-O 3.47Å; Y83-R114 HydrophobicContact CD1-CB 3.6Å; Y83-R114 HydrophobicContact CE1-CB 3.81Å; Y83-R114 HydrophobicContact CE1-CG 4.32Å; Y83-R114 HydrophobicContact CG-CB 4.16Å; Y83-R114 PolarHBondContact OH-NH1 3Å; S84-R114 PolarHBondContact N-O 2.87Å; R114-D147 HydrophobicContact CG-CB 3.84Å; R114-D147 IonicContact NE-OD2 3.95Å; R114-D147 PolarHBondContact NE-OD2 3.19Å; R114-D147 IonicContact NH2-OD2 3.86Å; R114-Y150 HydrophobicContact CB-CD1 3.62Å; R114-Y150 HydrophobicContact CB-CD2 4.19Å; R114-Y150 HydrophobicContact CB-CE1 4.06Å; R114-Y150 HydrophobicContact CB-CG 3.68Å; R114-Y150 HydrophobicContact CG-CD1 4.24Å; R114-Y150 HydrophobicContact CG-CD2 4.11Å; R114-Y150 HydrophobicContact CG-CG 3.77Å
115V98.8Very high95.2Very high5 Ų550 Ų503%0.0324%0.244CC..EExtended strand (participates in β ladder)trans-85.4124.7-178.3-179.70000109.6S84 P86 V91 E136 L139 V146 Y150S84-V115 WeakPolarHBondContact O-CA 3.49Å; P86-V115 HydrophobicContact CB-CG1 3.86Å; V91-V115 HydrophobicContact CG2-CG2 4.22Å; V115-E136 HydrophobicContact CB-CG 3.87Å; V115-E136 HydrophobicContact CG1-CG 4.39Å; V115-E136 HydrophobicContact CG2-CG 4.01Å; V115-L139 HydrophobicContact CG2-CD1 4.48Å; V115-V146 HydrophobicContact CG2-CG1 4.16Å; V115-Y150 WeakPolarHBondContact O-CD1 3.27Å; V115-Y150 VanDerWaalsContact O-CE1 3.28Å; V115-Y150 WeakPolarHBondContact O-CE1 3.21Å
116E98.6Very high94.7Very high0 Ų050.9 Ų50.90%025%0.254CS..  trans-130.8111-175.417655.5-116.400110.9S84 P86 G118 L119 Y150 S152 Y153 I154 T175 I179S84-E116 PolarHBondContact O-N 3.33Å; P86-E116 WeakPolarHBondContact CD-O 3.39Å; E116-G118 PolarHBondContact O-N 3.3Å; E116-G118 PolarHBondContact OE1-N 3.12Å; E116-L119 HydrophobicContact CB-CD1 4.04Å; E116-L119 HydrophobicContact CB-CG 4.09Å; E116-L119 HydrophobicContact CG-CD1 4.32Å; E116-L119 HydrophobicContact CG-CG 3.9Å; E116-L119 PolarHBondContact O-N 3.46Å; E116-L119 VanDerWaalsContact O-N 3.11Å; E116-Y150 HydrophobicContact CB-CE1 4.25Å; E116-Y150 PolarHBondContact OE2-OH 2.76Å; E116-S152 VanDerWaalsContact OE2-CA 3.22Å; E116-S152 WeakPolarHBondContact OE2-CA 3.46Å; E116-S152 WeakPolarHBondContact OE2-CB 3.46Å; E116-Y153 PolarHBondContact OE1-N 2.77Å; E116-Y153 PolarHBondContact OE2-N 3.09Å; E116-I154 PolarHBondContact OE1-N 3.12Å; E116-T175 HydrophobicContact CG-CG2 3.33Å; E116-I179 HydrophobicContact CG-CD1 4.29Å
117G98.2Very high94.3Very high1 Ų145.7 Ų45.71%0.0124%0.244CC..G310 helixtrans-61.3-32.3-179.700000112.9L119 F120 I154G117-L119 PolarHBondContact O-N 3.39Å; G117-F120 WeakPolarHBondContact O-CB 3.33Å; G117-F120 PolarHBondContact O-N 2.65Å; G117-I154 WeakPolarHBondContact CA-O 3.39Å; G117-I154 PolarHBondContact N-O 2.9Å
118G98Very high93.9Very high0 Ų046.4 Ų46.40%026%0.258CS..G310 helixtrans-62.6-12.4176.300000115.3E116 R171 T175E116-G118 PolarHBondContact O-N 3.3Å; E116-G118 PolarHBondContact OE1-N 3.12Å; G118-R171 VanDerWaalsContact C-NH1 3.35Å; G118-R171 PolarHBondContact O-NH1 3.05Å; G118-T175 WeakPolarHBondContact CA-OG1 3.49Å
119L98.3Very high93.8Very high1 Ų145.7 Ų45.71%0.00525%0.248CC..G310 helixtrans-91.60.1174.1-62.5179.2000113.9E116 G117 T175 I179 L191 T193 N197E116-L119 HydrophobicContact CB-CD1 4.04Å; E116-L119 HydrophobicContact CB-CG 4.09Å; E116-L119 HydrophobicContact CG-CD1 4.32Å; E116-L119 HydrophobicContact CG-CG 3.9Å; E116-L119 PolarHBondContact O-N 3.46Å; E116-L119 VanDerWaalsContact O-N 3.11Å; G117-L119 PolarHBondContact O-N 3.39Å; L119-T175 HydrophobicContact CD2-CG2 3.97Å; L119-T175 HydrophobicContact CG-CG2 4.12Å; L119-I179 HydrophobicContact CD1-CD1 4.41Å; L119-L191 HydrophobicContact CD1-CD2 4.43Å; L119-T193 PolarHBondContact O-OG1 3.45Å; L119-N197 PolarHBondContact O-ND2 3.45Å; L119-N197 VanDerWaalsContact O-ND2 3.08Å
120F97.8Very high93.8Very high1 Ų142.4 Ų42.40%0.00423%0.226CC..PPolyproline II helixtrans-66.4151.2176.3-171.8-110.4000111.6P86 S87 G117 L123 P131 F133 L159 R171 H194P86-F120 HydrophobicContact CG-CB 4.38Å; S87-F120 WeakPolarHBondContact OG-CD2 3.46Å; S87-F120 WeakPolarHBondContact OG-CE2 3.47Å; G117-F120 WeakPolarHBondContact O-CB 3.33Å; G117-F120 PolarHBondContact O-N 2.65Å; F120-L123 HydrophobicContact CE1-CD1 4.19Å; F120-L123 HydrophobicContact CE1-CD2 3.75Å; F120-L123 HydrophobicContact CE1-CG 3.94Å; F120-L123 HydrophobicContact CZ-CD2 3.91Å; F120-P131 HydrophobicContact CZ-CG 4.15Å; F120-F133 HydrophobicContact CD1-CZ 4.36Å; F120-F133 AromaticContact CD2-CE1 3.91Å; F120-F133 HydrophobicContact CD2-CE1 3.91Å; F120-F133 AromaticContact CD2-CZ 3.59Å; F120-F133 HydrophobicContact CD2-CZ 3.59Å; F120-F133 HydrophobicContact CE1-CZ 4.19Å; F120-F133 AromaticContact CE2-CE1 3.62Å; F120-F133 HydrophobicContact CE2-CE1 3.62Å; F120-F133 AromaticContact CE2-CZ 3.48Å; F120-F133 HydrophobicContact CE2-CZ 3.48Å; F120-F133 VanDerWaalsContact CE2-CZ 3.48Å; F120-F133 HydrophobicContact CG-CZ 4.05Å; F120-F133 HydrophobicContact CZ-CE1 4.2Å; F120-F133 AromaticContact CZ-CZ 3.77Å; F120-F133 HydrophobicContact CZ-CZ 3.77Å; F120-L159 HydrophobicContact CB-CD2 3.5Å; F120-L159 VanDerWaalsContact CB-CD2 3.5Å; F120-L159 HydrophobicContact CD1-CD2 3.25Å; F120-L159 HydrophobicContact CE1-CD2 4.15Å; F120-L159 HydrophobicContact CG-CD2 3.63Å; F120-R171 PolarHBondContact O-NH1 2.86Å; F120-R171 PolarHBondContact O-NH2 2.75Å; F120-H194 AromaticContact CD2-NE2 3.59Å
121E95.6Very high93.7Very high26 Ų2637.6 Ų37.612%0.12121%0.207CC..PPolyproline II helixtrans-72.2162.5-178.961.7-171146.300113.7R89 L123 H194 P196R89-E121 IonicContact CZ-OE1 3.74Å; R89-E121 IonicContact NH2-OE1 3.49Å; R89-E121 PolarHBondContact NH2-OE1 3.39Å; E121-L123 HydrophobicContact CG-CD2 4.45Å; E121-H194 HydrophobicContact CB-CB 3.65Å; E121-H194 HydrophobicContact CG-CB 4.27Å; E121-H194 PolarHBondContact N-CD2 3.18Å; E121-H194 IonicContact OE1-CE1 3.93Å; E121-H194 IonicContact OE1-CG 2.68Å; E121-H194 IonicContact OE1-ND1 3.19Å; E121-H194 PolarHBondContact OE1-ND1 3.22Å; E121-H194 IonicContact OE2-CG 3.48Å; E121-P196 HydrophobicContact CB-CB 3.9Å; E121-P196 HydrophobicContact CB-CG 3.87Å; E121-P196 WeakPolarHBondContact OE2-CD 3.42Å; E121-P196 WeakPolarHBondContact OE2-CG 3.24Å
122W93.5Very high93.6Very high4 Ų442 Ų422%0.01522%0.223CC..PPolyproline II helixtrans-77.1130.3168.9-170.441.5000111F124 H125 E163 F165 F168 M212 W215W122-F124 HydrophobicContact CE3-CD1 4.29Å; W122-F124 HydrophobicContact CZ3-CD1 4.33Å; W122-F124 WeakPolarHBondContact O-CD2 3.46Å; W122-F124 WeakPolarHBondContact O-CE2 3.47Å; W122-F124 PolarHBondContact O-N 3.18Å; W122-F124 VanDerWaalsContact O-N 3.15Å; W122-H125 HydrophobicContact CH2-CB 4.47Å; W122-H125 HydrophobicContact CZ2-CB 3.77Å; W122-E163 VanDerWaalsContact CD1-CG 3.48Å; W122-E163 PolarHBondContact NE1-O 3.44Å; W122-F165 HydrophobicContact CD2-CD2 4.48Å; W122-F165 AromaticContact CE3-CD2 3.87Å; W122-F165 HydrophobicContact CE3-CD2 3.87Å; W122-F165 HydrophobicContact CH2-CB 3.98Å; W122-F165 HydrophobicContact CH2-CD2 4.46Å; W122-F165 HydrophobicContact CZ2-CB 4.04Å; W122-F165 HydrophobicContact CZ3-CB 4.25Å; W122-F165 AromaticContact CZ3-CD2 3.88Å; W122-F165 HydrophobicContact CZ3-CD2 3.88Å; W122-F165 HydrophobicContact CZ3-CG 4.48Å; W122-F168 HydrophobicContact CB-CB 4.14Å; W122-F168 HydrophobicContact CB-CD1 3.77Å; W122-F168 HydrophobicContact CB-CD2 3.62Å; W122-F168 HydrophobicContact CB-CE1 4Å; W122-F168 HydrophobicContact CB-CE2 3.86Å; W122-F168 HydrophobicContact CB-CG 3.56Å; W122-F168 HydrophobicContact CB-CZ 4.03Å; W122-F168 HydrophobicContact CG-CB 3.96Å; W122-F168 HydrophobicContact CG-CD1 4.16Å; W122-F168 HydrophobicContact CG-CD2 4.35Å; W122-F168 AromaticContact CG-CG 3.9Å; W122-F168 HydrophobicContact CG-CG 3.9Å; W122-M212 HydrophobicContact CH2-CE 3.31Å; W122-M212 HydrophobicContact CZ2-CE 4.23Å; W122-M212 HydrophobicContact CZ3-CE 3.91Å; W122-W215 HydrophobicContact CE3-CH2 4.06Å; W122-W215 HydrophobicContact CE3-CZ3 4.23Å; W122-W215 HydrophobicContact CZ3-CZ3 4.36Å
123L90.7Very high93.5Very high30 Ų3038.5 Ų38.516%0.15721%0.208CC..  trans-83.927.3176.1-58.9-176.7000113.1F120 E121 H125 T126 C128F120-L123 HydrophobicContact CE1-CD1 4.19Å; F120-L123 HydrophobicContact CE1-CD2 3.75Å; F120-L123 HydrophobicContact CE1-CG 3.94Å; F120-L123 HydrophobicContact CZ-CD2 3.91Å; E121-L123 HydrophobicContact CG-CD2 4.45Å; L123-H125 PolarHBondContact O-N 3.02Å; L123-T126 WeakPolarHBondContact O-CG2 3.36Å; L123-T126 PolarHBondContact O-N 3.23Å; L123-T126 VanDerWaalsContact O-N 3.13Å; L123-T126 PolarHBondContact O-OG1 3.18Å; L123-C128 HydrophobicContact CD1-CB 4.41Å; L123-C128 WeakPolarHBondContact CD1-O 3.26Å
124F88Confident93.4Very high92 Ų9240.4 Ų40.440%0.40422%0.218SC..THydrogen-bonded Turntrans5624.7173.5-53.8-94.1000115.4W122 T126 P196 W215W122-F124 HydrophobicContact CE3-CD1 4.29Å; W122-F124 HydrophobicContact CZ3-CD1 4.33Å; W122-F124 WeakPolarHBondContact O-CD2 3.46Å; W122-F124 WeakPolarHBondContact O-CE2 3.47Å; W122-F124 PolarHBondContact O-N 3.18Å; W122-F124 VanDerWaalsContact O-N 3.15Å; F124-T126 HydrophobicContact CB-CG2 4.2Å; F124-T126 PolarHBondContact O-N 2.99Å; F124-P196 HydrophobicContact CZ-CG 4.15Å; F124-W215 HydrophobicContact CD1-CH2 4.19Å; F124-W215 HydrophobicContact CD1-CZ3 4.02Å; F124-W215 AromaticContact CE1-CH2 3.54Å; F124-W215 HydrophobicContact CE1-CH2 3.54Å; F124-W215 AromaticContact CE1-CZ3 3.52Å; F124-W215 HydrophobicContact CE1-CZ3 3.52Å; F124-W215 HydrophobicContact CZ-CH2 4.07Å; F124-W215 HydrophobicContact CZ-CZ3 4.45Å
125H83.7Confident93.3Very high108 Ų10842.4 Ų42.450%0.523%0.229SC..THydrogen-bonded Turntrans54.231.5-175.9-149.978.9000113.5W122 L123 G127 N162 E163W122-H125 HydrophobicContact CH2-CB 4.47Å; W122-H125 HydrophobicContact CZ2-CB 3.77Å; L123-H125 PolarHBondContact O-N 3.02Å; H125-G127 PolarHBondContact O-N 2.86Å; H125-N162 PolarHBondContact CE1-O 2.93Å; H125-N162 VanDerWaalsContact CE1-O 3.3Å; H125-N162 PolarHBondContact ND1-O 2.89Å; H125-E163 PolarHBondContact ND1-O 2.91Å; H125-E163 VanDerWaalsContact ND1-O 3.1Å
126T84.6Confident93.2Very high89 Ų8943.5 Ų43.555%0.54623%0.234SC..  trans-71.6-11.317857.20000113L123 F124 C128L123-T126 WeakPolarHBondContact O-CG2 3.36Å; L123-T126 PolarHBondContact O-N 3.23Å; L123-T126 VanDerWaalsContact O-N 3.13Å; L123-T126 PolarHBondContact O-OG1 3.18Å; F124-T126 HydrophobicContact CB-CG2 4.2Å; F124-T126 PolarHBondContact O-N 2.99Å; T126-C128 PolarHBondContact O-N 2.71Å; T126-C128 WeakPolarHBondContact OG1-CB 3.3Å; T126-C128 PolarHBondContact OG1-N 2.85Å; T126-C128 PolarHBondContact OG1-SG 3.33Å
127G82.3Confident93.2Very high46 Ų4646 Ų4647%0.47425%0.249SC..  trans76.61.4-170.600000113.6H125 V129H125-G127 PolarHBondContact O-N 2.86Å; G127-V129 PolarHBondContact O-N 3.47Å
128C85.8Confident93.1Very high72 Ų7249.4 Ų49.449%0.48627%0.267SS..PPolyproline II helixtrans-60.8134.3173.3-68.60000110.4L123 T126 Y161L123-C128 HydrophobicContact CD1-CB 4.41Å; L123-C128 WeakPolarHBondContact CD1-O 3.26Å; T126-C128 PolarHBondContact O-N 2.71Å; T126-C128 WeakPolarHBondContact OG1-CB 3.3Å; T126-C128 PolarHBondContact OG1-N 2.85Å; T126-C128 PolarHBondContact OG1-SG 3.33Å; C128-Y161 WeakPolarHBondContact O-CD2 3.46Å
129V90.7Very high93Very high109 Ų10949.7 Ų49.766%0.66127%0.269SS*.PPolyproline II helixtrans-68.1154.2172-62.90000110.9G127 Y161G127-V129 PolarHBondContact O-N 3.47Å; V129-Y161 HydrophobicContact CG1-CD2 4.46Å
130N93.7Very high93Very high32 Ų3251.1 Ų51.117%0.17128%0.281CS..PPolyproline II helixtrans-61.9141.5174.6-72.1-38.9000110.7F133 L159N130-F133 HydrophobicContact CB-CE2 4.42Å; N130-L159 WeakPolarHBondContact ND2-CB 3.45Å; N130-L159 PolarHBondContact ND2-O 3.23Å
131P94.9Very high92.9Very high15 Ų1558.9 Ų58.910%0.09732%0.315CS..PPolyproline II helixtrans-58.9151.3173.5-20.230.5000111.4T53 D54 F120 F133T53-P131 WeakPolarHBondContact O-CG 3.08Å; D54-P131 HydrophobicContact CB-CB 3.76Å; D54-P131 HydrophobicContact CB-CG 4.48Å; F120-P131 HydrophobicContact CZ-CG 4.15Å; P131-F133 HydrophobicContact CB-CD1 4.42Å; P131-F133 HydrophobicContact CB-CE1 4.02Å; P131-F133 HydrophobicContact CB-CZ 4.36Å; P131-F133 HydrophobicContact CG-CE1 4.11Å; P131-F133 HydrophobicContact CG-CZ 4.26Å; P131-F133 VanDerWaalsContact O-CD2 3.3Å; P131-F133 WeakPolarHBondContact O-CD2 2.93Å; P131-F133 WeakPolarHBondContact O-CE2 3.23Å; P131-F133 PolarHBondContact O-N 3.38Å
132R95.7Very high92.7Very high101 Ų10160.7 Ų60.738%0.38134%0.34SS..  trans-78.987.8172.7-168.4177.865.485.63.6110R40 D50R40-R132 PolarHBondContact NH2-O 2.67Å; R40-R132 PolarHBondContact O-NH1 2.88Å; R40-R132 PolarHBondContact O-NH2 3.19Å; D50-R132 VanDerWaalsContact CG-NH2 3.25Å; D50-R132 WeakPolarHBondContact OD1-CB 3.47Å; D50-R132 IonicContact OD1-CZ 3.93Å; D50-R132 IonicContact OD1-NE 3.93Å; D50-R132 PolarHBondContact OD1-NE 2.81Å; D50-R132 VanDerWaalsContact OD1-NE 3.08Å; D50-R132 IonicContact OD1-NH2 3.38Å; D50-R132 IonicContact OD2-CZ 3.74Å; D50-R132 IonicContact OD2-NE 2.68Å; D50-R132 PolarHBondContact OD2-NE 3.02Å; D50-R132 IonicContact OD2-NH2 2.68Å; D50-R132 PolarHBondContact OD2-NH2 3.22Å
133F97.1Very high92.8Very high27 Ų2763.7 Ų63.712%0.11837%0.373CS..PPolyproline II helixtrans-59.6152179.9-53.2-67000112.7P86 F120 N130 P131 A156P86-F133 HydrophobicContact CB-CB 4.17Å; P86-F133 HydrophobicContact CB-CD1 4.09Å; P86-F133 HydrophobicContact CB-CD2 4.07Å; P86-F133 HydrophobicContact CB-CE2 4.48Å; P86-F133 HydrophobicContact CB-CG 3.83Å; P86-F133 HydrophobicContact CG-CD1 4.2Å; P86-F133 HydrophobicContact CG-CD2 4.01Å; P86-F133 HydrophobicContact CG-CE1 4.16Å; P86-F133 HydrophobicContact CG-CE2 3.92Å; P86-F133 HydrophobicContact CG-CG 4.12Å; P86-F133 HydrophobicContact CG-CZ 4Å; F120-F133 HydrophobicContact CD1-CZ 4.36Å; F120-F133 AromaticContact CD2-CE1 3.91Å; F120-F133 HydrophobicContact CD2-CE1 3.91Å; F120-F133 AromaticContact CD2-CZ 3.59Å; F120-F133 HydrophobicContact CD2-CZ 3.59Å; F120-F133 HydrophobicContact CE1-CZ 4.19Å; F120-F133 AromaticContact CE2-CE1 3.62Å; F120-F133 HydrophobicContact CE2-CE1 3.62Å; F120-F133 AromaticContact CE2-CZ 3.48Å; F120-F133 HydrophobicContact CE2-CZ 3.48Å; F120-F133 VanDerWaalsContact CE2-CZ 3.48Å; F120-F133 HydrophobicContact CG-CZ 4.05Å; F120-F133 HydrophobicContact CZ-CE1 4.2Å; F120-F133 AromaticContact CZ-CZ 3.77Å; F120-F133 HydrophobicContact CZ-CZ 3.77Å; N130-F133 HydrophobicContact CB-CE2 4.42Å; P131-F133 HydrophobicContact CB-CD1 4.42Å; P131-F133 HydrophobicContact CB-CE1 4.02Å; P131-F133 HydrophobicContact CB-CZ 4.36Å; P131-F133 HydrophobicContact CG-CE1 4.11Å; P131-F133 HydrophobicContact CG-CZ 4.26Å; P131-F133 VanDerWaalsContact O-CD2 3.3Å; P131-F133 WeakPolarHBondContact O-CD2 2.93Å; P131-F133 WeakPolarHBondContact O-CE2 3.23Å; P131-F133 PolarHBondContact O-N 3.38Å; F133-A156 HydrophobicContact CB-CB 4.44Å; F133-A156 HydrophobicContact CD2-CB 3.65Å; F133-A156 HydrophobicContact CE2-CB 4.3Å; F133-A156 HydrophobicContact CG-CB 4.33Å
134L96.6Very high93Very high40 Ų4064.6 Ų64.621%0.20938%0.377CS..PPolyproline II helixtrans-68.4136.1170.6-79.5167.1000110.2R40 W51 I88 L139R40-L134 HydrophobicContact CG-CD2 4.06Å; W51-L134 HydrophobicContact CH2-CD1 4.35Å; I88-L134 HydrophobicContact CD1-CD1 3.85Å; I88-L134 HydrophobicContact CG1-CD1 4.17Å; L134-L139 HydrophobicContact CB-CD1 4.46Å; L134-L139 HydrophobicContact CB-CD2 3.79Å; L134-L139 HydrophobicContact CB-CG 3.97Å; L134-L139 HydrophobicContact CD1-CD2 3.89Å; L134-L139 HydrophobicContact CG-CD2 4.49Å
135H96.6Very high93.5Very high91 Ų9162.4 Ų62.442%0.42137%0.372SS..PPolyproline II helixtrans-69.7145.9176.5-165.8-94.4000110.6T137 D138 L139H135-T137 PolarHBondContact ND1-N 3.4Å; H135-T137 PolarHBondContact ND1-OG1 3.46Å; H135-T137 PolarHBondContact O-N 2.66Å; H135-D138 PolarHBondContact O-N 3.36Å; H135-L139 PolarHBondContact O-N 2.94Å
136E97.8Very high94.2Very high28 Ų2857.7 Ų57.713%0.13135%0.351CS..Hα-helixtrans-56.5-37-176.8-67.785167.700112V115 D138 L139 A140 V146 L148 H155V115-E136 HydrophobicContact CB-CG 3.87Å; V115-E136 HydrophobicContact CG1-CG 4.39Å; V115-E136 HydrophobicContact CG2-CG 4.01Å; E136-D138 VanDerWaalsContact C-N 3.32Å; E136-D138 PolarHBondContact O-N 3.41Å; E136-L139 PolarHBondContact O-N 2.72Å; E136-A140 WeakPolarHBondContact O-CB 3.49Å; E136-A140 PolarHBondContact O-N 3.39Å; E136-V146 HydrophobicContact CB-CG1 3.95Å; E136-V146 HydrophobicContact CG-CG1 4.2Å; E136-L148 HydrophobicContact CB-CD2 3.83Å; E136-L148 WeakPolarHBondContact O-CD2 3.43Å; E136-H155 IonicContact OE1-NE2 2.85Å; E136-H155 IonicContact OE2-NE2 3.47Å
137T97.2Very high94.8Very high52 Ų5254.5 Ų54.532%0.31933%0.331SS..Hα-helixtrans-64.7-35.6175.458.10000112.7H135 K141 L148H135-T137 PolarHBondContact ND1-N 3.4Å; H135-T137 PolarHBondContact ND1-OG1 3.46Å; H135-T137 PolarHBondContact O-N 2.66Å; T137-K141 WeakPolarHBondContact O-CB 3.25Å; T137-K141 WeakPolarHBondContact O-CG 3.23Å; T137-K141 PolarHBondContact O-N 3.34Å; T137-L148 HydrophobicContact CG2-CD2 4.33Å
138D96Very high95.6Very high73 Ų7356.8 Ų56.839%0.3933%0.331SS..Hα-helixtrans-77.8-34.8-179.9-61.7-28.2000110.9H135 E136 K141 G142H135-D138 PolarHBondContact O-N 3.36Å; E136-D138 VanDerWaalsContact C-N 3.32Å; E136-D138 PolarHBondContact O-N 3.41Å; D138-K141 PolarHBondContact O-N 2.97Å; D138-K141 IonicContact OD1-NZ 3.78Å; D138-K141 PolarHBondContact OD1-NZ 3.39Å; D138-G142 PolarHBondContact O-N 2.94Å
139L97Very high96.2Very high7 Ų759.9 Ų59.94%0.03734%0.343CS..Hα-helixtrans-58.9-47168.5-64.5168.8000111.2I88 V91 V115 L134 H135 E136 G142 L144 V146I88-L139 HydrophobicContact CD1-CD2 3.58Å; V91-L139 HydrophobicContact CG1-CD1 4.04Å; V91-L139 HydrophobicContact CG1-CD2 4.24Å; V91-L139 HydrophobicContact CG2-CD1 4.29Å; V115-L139 HydrophobicContact CG2-CD1 4.48Å; L134-L139 HydrophobicContact CB-CD1 4.46Å; L134-L139 HydrophobicContact CB-CD2 3.79Å; L134-L139 HydrophobicContact CB-CG 3.97Å; L134-L139 HydrophobicContact CD1-CD2 3.89Å; L134-L139 HydrophobicContact CG-CD2 4.49Å; H135-L139 PolarHBondContact O-N 2.94Å; E136-L139 PolarHBondContact O-N 2.72Å; L139-G142 PolarHBondContact O-N 2.87Å; L139-L144 HydrophobicContact CB-CD1 4.25Å; L139-L144 HydrophobicContact CD2-CD1 3.87Å; L139-L144 WeakPolarHBondContact O-CB 3.41Å; L139-L144 PolarHBondContact O-N 3.34Å; L139-V146 HydrophobicContact CB-CG2 3.8Å
140A97.2Very high96.5Very high31 Ų3156.6 Ų56.626%0.25632%0.319SS..Hα-helixtrans-66.2-41.7177.800000112.8E136 G142 G143 V146 L148E136-A140 WeakPolarHBondContact O-CB 3.49Å; E136-A140 PolarHBondContact O-N 3.39Å; A140-G142 PolarHBondContact O-N 3.22Å; A140-G143 WeakPolarHBondContact O-CA 3.33Å; A140-G143 PolarHBondContact O-N 2.84Å; A140-V146 HydrophobicContact CB-CB 4.45Å; A140-L148 HydrophobicContact CB-CD1 4.02Å; A140-L148 HydrophobicContact CB-CD2 4Å; A140-L148 HydrophobicContact CB-CG 4.19Å
141K95.4Very high96.7Very high164 Ų16463 Ų6371%0.71335%0.346SS*.Hα-helixtrans-59.2-33172.3-75.6169.7-167.2164.80112T137 D138 G143T137-K141 WeakPolarHBondContact O-CB 3.25Å; T137-K141 WeakPolarHBondContact O-CG 3.23Å; T137-K141 PolarHBondContact O-N 3.34Å; D138-K141 PolarHBondContact O-N 2.97Å; D138-K141 IonicContact OD1-NZ 3.78Å; D138-K141 PolarHBondContact OD1-NZ 3.39Å; K141-G143 PolarHBondContact O-N 2.92Å
142G92.9Very high96.9Very high64 Ų6463.6 Ų63.666%0.6635%0.35SS*.THydrogen-bonded Turntrans-70.60.8172.100000114.8D138 L139 A140D138-G142 PolarHBondContact O-N 2.94Å; L139-G142 PolarHBondContact O-N 2.87Å; A140-G142 PolarHBondContact O-N 3.22Å
143G94Very high97Very high67 Ų6763.6 Ų63.669%0.69135%0.35SS*.THydrogen-bonded Turntrans85.28.8178.600000114.6A140 K141A140-G143 WeakPolarHBondContact O-CA 3.33Å; A140-G143 PolarHBondContact O-N 2.84Å; K141-G143 PolarHBondContact O-N 2.92Å
144L96.5Very high97Very high48 Ų4863.7 Ų63.725%0.25135%0.352SS..  trans-76.3140.3175.2-60.4180000110.5V91 C95 L139 V146V91-L144 HydrophobicContact CG1-CD1 4.13Å; C95-L144 HydrophobicContact CB-CD2 4Å; L139-L144 HydrophobicContact CB-CD1 4.25Å; L139-L144 HydrophobicContact CD2-CD1 3.87Å; L139-L144 WeakPolarHBondContact O-CB 3.41Å; L139-L144 PolarHBondContact O-N 3.34Å; L144-V146 HydrophobicContact CB-CG2 4.07Å; L144-V146 PolarHBondContact O-N 3.36Å
145P97.7Very high97Very high47 Ų4764.6 Ų64.631%0.30536%0.355SS..  trans-75.563.4-178.232.8-38.3000111.6C95 V98 K112 V113C95-P145 HydrophobicContact CB-CG 4.26Å; V98-P145 HydrophobicContact CG1-CG 4.29Å; K112-P145 CarbonylContact C-O 3.52Å; K112-P145 VanDerWaalsContact CA-O 3.26Å; K112-P145 WeakPolarHBondContact CA-O 3.43Å; V113-P145 PolarHBondContact N-O 2.94Å
146V98.5Very high97Very high9 Ų960.8 Ų60.86%0.05534%0.339CS..BIsolated β-bridgetrans-86.5137.3-1801790000110.7V113 V115 E136 L139 A140 L144 L148V113-V146 WeakPolarHBondContact O-CA 3.3Å; V115-V146 HydrophobicContact CG2-CG1 4.16Å; E136-V146 HydrophobicContact CB-CG1 3.95Å; E136-V146 HydrophobicContact CG-CG1 4.2Å; L139-V146 HydrophobicContact CB-CG2 3.8Å; A140-V146 HydrophobicContact CB-CB 4.45Å; L144-V146 HydrophobicContact CB-CG2 4.07Å; L144-V146 PolarHBondContact O-N 3.36Å; V146-L148 HydrophobicContact CG1-CD2 4.26Å; V146-L148 PolarHBondContact O-N 2.79Å
147D98.4Very high96.8Very high22 Ų2264.6 Ų64.612%0.11837%0.365CS..  trans-83.692175.5-167.7-1.3000111K112 V113 R114 N149 Y150K112-D147 HydrophobicContact CB-CB 3.71Å; K112-D147 HydrophobicContact CD-CB 4.17Å; V113-D147 PolarHBondContact O-N 3.48Å; R114-D147 HydrophobicContact CG-CB 3.84Å; R114-D147 IonicContact NE-OD2 3.95Å; R114-D147 PolarHBondContact NE-OD2 3.19Å; R114-D147 IonicContact NH2-OD2 3.86Å; D147-N149 PolarHBondContact O-N 3.29Å; D147-N149 VanDerWaalsContact O-N 3.17Å; D147-N149 PolarHBondContact OD1-N 2.51Å; D147-Y150 PolarHBondContact O-N 3.33Å
148L98.2Very high96.7Very high93 Ų9369.7 Ų69.749%0.48738%0.382SS..THydrogen-bonded Turntrans-67.4-10.2178.5-59.9-177.6000114.1E136 T137 A140 V146E136-L148 HydrophobicContact CB-CD2 3.83Å; E136-L148 WeakPolarHBondContact O-CD2 3.43Å; T137-L148 HydrophobicContact CG2-CD2 4.33Å; A140-L148 HydrophobicContact CB-CD1 4.02Å; A140-L148 HydrophobicContact CB-CD2 4Å; A140-L148 HydrophobicContact CB-CG 4.19Å; V146-L148 HydrophobicContact CG1-CD2 4.26Å; V146-L148 PolarHBondContact O-N 2.79Å
149N97.9Very high96.6Very high137 Ų13766.8 Ų66.873%0.73337%0.367SS*.THydrogen-bonded Turntrans-92.2-11.1178.2-63.8-36.2000112.6D147D147-N149 PolarHBondContact O-N 3.29Å; D147-N149 VanDerWaalsContact O-N 3.17Å; D147-N149 PolarHBondContact OD1-N 2.51Å
150Y98.1Very high96.4Very high40 Ų4072.3 Ų72.316%0.15739%0.392CS..  trans-70.6131.1177.4175.6-113.4000111Y83 R114 V115 E116 D147 Y178Y83-Y150 HydrophobicContact CD1-CE1 4.41Å; Y83-Y150 HydrophobicContact CD1-CE2 4.46Å; Y83-Y150 HydrophobicContact CE1-CD2 4.32Å; Y83-Y150 HydrophobicContact CE1-CE1 4.33Å; Y83-Y150 AromaticContact CE1-CE2 3.63Å; Y83-Y150 HydrophobicContact CE1-CE2 3.63Å; Y83-Y150 AromaticContact CE1-CZ 3.63Å; R114-Y150 HydrophobicContact CB-CD1 3.62Å; R114-Y150 HydrophobicContact CB-CD2 4.19Å; R114-Y150 HydrophobicContact CB-CE1 4.06Å; R114-Y150 HydrophobicContact CB-CG 3.68Å; R114-Y150 HydrophobicContact CG-CD1 4.24Å; R114-Y150 HydrophobicContact CG-CD2 4.11Å; R114-Y150 HydrophobicContact CG-CG 3.77Å; V115-Y150 WeakPolarHBondContact O-CD1 3.27Å; V115-Y150 VanDerWaalsContact O-CE1 3.28Å; V115-Y150 WeakPolarHBondContact O-CE1 3.21Å; E116-Y150 HydrophobicContact CB-CE1 4.25Å; E116-Y150 PolarHBondContact OE2-OH 2.76Å; D147-Y150 PolarHBondContact O-N 3.33Å; Y150-Y178 HydrophobicContact CE2-CE1 4.37Å
151K97.5Very high96Very high168 Ų16875.7 Ų75.773%0.7340%0.399SS*.  trans-101.7110.9172.7-63.7-178.9-177.6177.80108.4Y178K151-Y178 WeakPolarHBondContact O-CE1 3.46Å; K151-Y178 PolarHBondContact O-OH 3.41Å
152S98Very high95.8Very high26 Ų2671.4 Ų71.418%0.18238%0.384CS..  trans-66.5148.8178.545.80000112.3E116 H155E116-S152 VanDerWaalsContact OE2-CA 3.22Å; E116-S152 WeakPolarHBondContact OE2-CA 3.46Å; E116-S152 WeakPolarHBondContact OE2-CB 3.46Å; S152-H155 WeakPolarHBondContact OG-CA 3.42Å
153Y98.1Very high95.9Very high101 Ų10168.9 Ų68.940%0.39636%0.355SS..SBendtrans-64.9-49.4169.7175.2-123.8000110.2E116 E174 Y178E116-Y153 PolarHBondContact OE1-N 2.77Å; E116-Y153 PolarHBondContact OE2-N 3.09Å; Y153-E174 HydrophobicContact CE1-CB 3.73Å; Y153-Y178 AromaticContact CD2-CD2 3.83Å; Y153-Y178 HydrophobicContact CD2-CD2 3.83Å; Y153-Y178 HydrophobicContact CD2-CE2 4.46Å; Y153-Y178 AromaticContact CD2-CG 3.98Å; Y153-Y178 HydrophobicContact CD2-CG 3.98Å; Y153-Y178 HydrophobicContact CG-CD1 4.44Å; Y153-Y178 HydrophobicContact CG-CD2 4.3Å; Y153-Y178 AromaticContact CG-CG 4Å; Y153-Y178 HydrophobicContact CG-CG 4Å
154I97.5Very high95.9Very high30 Ų3068.1 Ų68.115%0.15434%0.337CS..SBendtrans-121.2111.6172.6-65.3166000107E116 G117 L159 R171E116-I154 PolarHBondContact OE1-N 3.12Å; G117-I154 WeakPolarHBondContact CA-O 3.39Å; G117-I154 PolarHBondContact N-O 2.9Å; I154-L159 HydrophobicContact CG2-CD1 4.16Å; I154-R171 HydrophobicContact CD1-CG 3.55Å
155H97.3Very high95.7Very high58 Ų5866.1 Ų66.127%0.26933%0.327SS..  trans-64.3143.6169.4-170.6-95.3000110.1E136 S152 T157 K158E136-H155 IonicContact OE1-NE2 2.85Å; E136-H155 IonicContact OE2-NE2 3.47Å; S152-H155 WeakPolarHBondContact OG-CA 3.42Å; H155-T157 PolarHBondContact ND1-N 3.42Å; H155-T157 PolarHBondContact ND1-OG1 3.38Å; H155-T157 PolarHBondContact O-N 2.85Å; H155-T157 VanDerWaalsContact O-N 3.1Å; H155-K158 HydrophobicContact CB-CG 4.36Å; H155-K158 WeakPolarHBondContact O-CA 3.26Å; H155-K158 WeakPolarHBondContact O-CB 3.42Å; H155-K158 PolarHBondContact O-N 3.29Å
156A95.3Very high95.5Very high11 Ų1169.8 Ų69.89%0.09134%0.34CS..G310 helixtrans-56.1-34.8-173.300000113.3P86 F133 K158 L159P86-A156 HydrophobicContact CB-CB 3.56Å; P86-A156 HydrophobicContact CG-CB 3.84Å; F133-A156 HydrophobicContact CB-CB 4.44Å; F133-A156 HydrophobicContact CD2-CB 3.65Å; F133-A156 HydrophobicContact CE2-CB 4.3Å; F133-A156 HydrophobicContact CG-CB 4.33Å; A156-K158 PolarHBondContact O-N 3.15Å; A156-L159 WeakPolarHBondContact O-CB 3.23Å; A156-L159 PolarHBondContact O-N 3.27Å
157T94.4Very high95.3Very high109 Ų10974.3 Ų74.367%0.66936%0.36SS*.G310 helixtrans-73.4-9.317763.50000114.6H155H155-T157 PolarHBondContact ND1-N 3.42Å; H155-T157 PolarHBondContact ND1-OG1 3.38Å; H155-T157 PolarHBondContact O-N 2.85Å; H155-T157 VanDerWaalsContact O-N 3.1Å
158K95.3Very high95.2Very high158 Ų15873.4 Ų73.469%0.68736%0.355SS*.G310 helixtrans-105.85.9179.1-60.8-58.6-174.1-177.60112.8H155 A156H155-K158 HydrophobicContact CB-CG 4.36Å; H155-K158 WeakPolarHBondContact O-CA 3.26Å; H155-K158 WeakPolarHBondContact O-CB 3.42Å; H155-K158 PolarHBondContact O-N 3.29Å; A156-K158 PolarHBondContact O-N 3.15Å
159L94.4Very high95Very high13 Ų1369.4 Ų69.47%0.06834%0.335CS..  trans-70.2133179.3-169.368.8000111.1F120 N130 I154 A156F120-L159 HydrophobicContact CB-CD2 3.5Å; F120-L159 VanDerWaalsContact CB-CD2 3.5Å; F120-L159 HydrophobicContact CD1-CD2 3.25Å; F120-L159 HydrophobicContact CE1-CD2 4.15Å; F120-L159 HydrophobicContact CG-CD2 3.63Å; N130-L159 WeakPolarHBondContact ND2-CB 3.45Å; N130-L159 PolarHBondContact ND2-O 3.23Å; I154-L159 HydrophobicContact CG2-CD1 4.16Å; A156-L159 WeakPolarHBondContact O-CB 3.23Å; A156-L159 PolarHBondContact O-N 3.27Å
160Q92.5Very high94.9Very high122 Ų12267 Ų6757%0.5733%0.325SS*.  trans-74.4131.4173.2-61.4-63.4-18.300109.4
161Y88.8Confident94.8Very high102 Ų10266.1 Ų66.140%0.432%0.321SS..SBendtrans-94.5-22.5-176.569.4-88.2000112.9C128 V129C128-Y161 WeakPolarHBondContact O-CD2 3.46Å; V129-Y161 HydrophobicContact CG1-CD2 4.46Å
162N91.4Very high94.8Very high75 Ų7558.1 Ų58.140%0.40129%0.286SS..SBendtrans-107.924.6-174.366.4-29.9000113.2H125H125-N162 PolarHBondContact CE1-O 2.93Å; H125-N162 VanDerWaalsContact CE1-O 3.3Å; H125-N162 PolarHBondContact ND1-O 2.89Å
163E93.7Very high94.7Very high10 Ų1057.5 Ų57.55%0.04728%0.281CS..  trans-61.9147.4179.668.7-173173.400111.9W122 H125 E167 F168 R171W122-E163 VanDerWaalsContact CD1-CG 3.48Å; W122-E163 PolarHBondContact NE1-O 3.44Å; H125-E163 PolarHBondContact ND1-O 2.91Å; H125-E163 VanDerWaalsContact ND1-O 3.1Å; E163-E167 WeakPolarHBondContact CA-OE2 3.38Å; E163-E167 HydrophobicContact CB-CB 3.89Å; E163-F168 HydrophobicContact CG-CB 4.07Å; E163-F168 WeakPolarHBondContact OE2-CA 3.21Å; E163-R171 IonicContact OE1-CZ 3.52Å; E163-R171 IonicContact OE1-NE 3.57Å; E163-R171 IonicContact OE1-NH2 2.67Å; E163-R171 PolarHBondContact OE1-NH2 2.78Å; E163-R171 IonicContact OE2-CZ 3.54Å; E163-R171 IonicContact OE2-NE 2.78Å; E163-R171 PolarHBondContact OE2-NE 2.88Å; E163-R171 IonicContact OE2-NH2 3.46Å; E163-R171 PolarHBondContact OE2-NH2 3.23Å
164T93.9Very high94.7Very high52 Ų5255.8 Ų55.832%0.31928%0.277SS..  trans-70.9168.5166.158.80000110.6E166 E167 F168T164-E166 PolarHBondContact O-N 2.77Å; T164-E167 WeakPolarHBondContact CB-OE2 3.5Å; T164-E167 WeakPolarHBondContact CG2-OE2 3.37Å; T164-E167 PolarHBondContact N-OE2 3.36Å; T164-E167 PolarHBondContact O-N 3.32Å; T164-E167 WeakPolarHBondContact OG1-CB 3.5Å; T164-E167 VanDerWaalsContact OG1-CD 3.28Å; T164-E167 VanDerWaalsContact OG1-CG 3.22Å; T164-E167 WeakPolarHBondContact OG1-CG 3.38Å; T164-E167 PolarHBondContact OG1-N 3.42Å; T164-E167 VanDerWaalsContact OG1-N 3.15Å; T164-E167 PolarHBondContact OG1-OE2 3.1Å; T164-F168 WeakPolarHBondContact O-CB 3.42Å; T164-F168 PolarHBondContact O-N 3.38Å
165F93.2Very high94.8Very high6 Ų654.3 Ų54.33%0.02627%0.27CS..Hα-helixtrans-63.2-36175.3-180-112.4000111.4W122 F168 N169 M212 W215W122-F165 HydrophobicContact CD2-CD2 4.48Å; W122-F165 AromaticContact CE3-CD2 3.87Å; W122-F165 HydrophobicContact CE3-CD2 3.87Å; W122-F165 HydrophobicContact CH2-CB 3.98Å; W122-F165 HydrophobicContact CH2-CD2 4.46Å; W122-F165 HydrophobicContact CZ2-CB 4.04Å; W122-F165 HydrophobicContact CZ3-CB 4.25Å; W122-F165 AromaticContact CZ3-CD2 3.88Å; W122-F165 HydrophobicContact CZ3-CD2 3.88Å; W122-F165 HydrophobicContact CZ3-CG 4.48Å; F165-F168 HydrophobicContact CD2-CD1 4.09Å; F165-F168 HydrophobicContact CE2-CD1 4.25Å; F165-F168 HydrophobicContact CE2-CE1 4.42Å; F165-N169 VanDerWaalsContact CE1-ND2 3.32Å; F165-N169 WeakPolarHBondContact CE1-ND2 3.4Å; F165-N169 VanDerWaalsContact CZ-ND2 3.33Å; F165-N169 WeakPolarHBondContact CZ-ND2 3.41Å; F165-N169 VanDerWaalsContact O-CG 3.32Å; F165-N169 PolarHBondContact O-N 3.23Å; F165-N169 VanDerWaalsContact O-N 3.16Å; F165-N169 PolarHBondContact O-ND2 3.19Å; F165-M212 HydrophobicContact CB-CE 3.72Å; F165-M212 HydrophobicContact CD1-CB 4.03Å; F165-M212 HydrophobicContact CD1-CG 4.26Å; F165-M212 HydrophobicContact CE1-CB 4.12Å; F165-M212 HydrophobicContact CG-CE 4.27Å; F165-M212 HydrophobicContact CG-CG 4.28Å; F165-W215 HydrophobicContact CE2-CB 4.43Å; F165-W215 AromaticContact CE2-CD1 3.97Å; F165-W215 AromaticContact CE2-CD2 3.76Å; F165-W215 HydrophobicContact CE2-CD2 3.76Å; F165-W215 AromaticContact CE2-CE2 3.88Å; F165-W215 HydrophobicContact CE2-CE3 4.24Å; F165-W215 AromaticContact CE2-CG 3.82Å; F165-W215 HydrophobicContact CE2-CG 3.82Å; F165-W215 HydrophobicContact CE2-CZ2 4.43Å; F165-W215 HydrophobicContact CZ-CB 4.03Å; F165-W215 AromaticContact CZ-CD1 3.92Å; F165-W215 HydrophobicContact CZ-CD2 4.24Å; F165-W215 AromaticContact CZ-CG 3.8Å; F165-W215 HydrophobicContact CZ-CG 3.8Å
166E93Very high94.8Very high124 Ų12451.7 Ų51.758%0.57926%0.258SS*.Hα-helixtrans-64.7-47.8176-69.666.7-15000111.2T164 N169 T170T164-E166 PolarHBondContact O-N 2.77Å; E166-N169 PolarHBondContact O-N 3Å; E166-T170 PolarHBondContact O-N 2.86Å; E166-T170 PolarHBondContact O-OG1 3.21Å; E166-T170 VanDerWaalsContact O-OG1 3.1Å
167E95Very high94.8Very high104 Ų10457.1 Ų57.149%0.48628%0.275SS..Hα-helixtrans-63.2-42.9177.4-73.6164.114700112.3E163 T164 N169 T170 R171E163-E167 WeakPolarHBondContact CA-OE2 3.38Å; E163-E167 HydrophobicContact CB-CB 3.89Å; T164-E167 WeakPolarHBondContact CB-OE2 3.5Å; T164-E167 WeakPolarHBondContact CG2-OE2 3.37Å; T164-E167 PolarHBondContact N-OE2 3.36Å; T164-E167 PolarHBondContact O-N 3.32Å; T164-E167 WeakPolarHBondContact OG1-CB 3.5Å; T164-E167 VanDerWaalsContact OG1-CD 3.28Å; T164-E167 VanDerWaalsContact OG1-CG 3.22Å; T164-E167 WeakPolarHBondContact OG1-CG 3.38Å; T164-E167 PolarHBondContact OG1-N 3.42Å; T164-E167 VanDerWaalsContact OG1-N 3.15Å; T164-E167 PolarHBondContact OG1-OE2 3.1Å; E167-N169 VanDerWaalsContact C-N 3.29Å; E167-N169 PolarHBondContact O-N 3.17Å; E167-T170 PolarHBondContact O-N 3.24Å; E167-R171 VanDerWaalsContact O-CB 3.28Å; E167-R171 WeakPolarHBondContact O-CB 3.33Å; E167-R171 PolarHBondContact O-N 2.84Å
168F95Very high95Very high2 Ų255.5 Ų55.51%0.00926%0.258CS..Hα-helixtrans-52.2-48172.1159.7-119000112.2W122 E163 T164 F165 G172 P196 N197 W215W122-F168 HydrophobicContact CB-CB 4.14Å; W122-F168 HydrophobicContact CB-CD1 3.77Å; W122-F168 HydrophobicContact CB-CD2 3.62Å; W122-F168 HydrophobicContact CB-CE1 4Å; W122-F168 HydrophobicContact CB-CE2 3.86Å; W122-F168 HydrophobicContact CB-CG 3.56Å; W122-F168 HydrophobicContact CB-CZ 4.03Å; W122-F168 HydrophobicContact CG-CB 3.96Å; W122-F168 HydrophobicContact CG-CD1 4.16Å; W122-F168 HydrophobicContact CG-CD2 4.35Å; W122-F168 AromaticContact CG-CG 3.9Å; W122-F168 HydrophobicContact CG-CG 3.9Å; E163-F168 HydrophobicContact CG-CB 4.07Å; E163-F168 WeakPolarHBondContact OE2-CA 3.21Å; T164-F168 WeakPolarHBondContact O-CB 3.42Å; T164-F168 PolarHBondContact O-N 3.38Å; F165-F168 HydrophobicContact CD2-CD1 4.09Å; F165-F168 HydrophobicContact CE2-CD1 4.25Å; F165-F168 HydrophobicContact CE2-CE1 4.42Å; F168-G172 PolarHBondContact O-N 2.82Å; F168-P196 HydrophobicContact CZ-CB 4.16Å; F168-N197 WeakPolarHBondContact CE2-OD1 3.48Å; F168-N197 WeakPolarHBondContact CZ-OD1 3.48Å; F168-W215 HydrophobicContact CE1-CZ2 4.32Å
169N94.9Very high95.2Very high10 Ų1048.1 Ų48.15%0.05323%0.226CC..Hα-helixtrans-69.6-42.3-179-75.7-59.9000112.1F165 E166 E167 G172 V173 K203F165-N169 VanDerWaalsContact CE1-ND2 3.32Å; F165-N169 WeakPolarHBondContact CE1-ND2 3.4Å; F165-N169 VanDerWaalsContact CZ-ND2 3.33Å; F165-N169 WeakPolarHBondContact CZ-ND2 3.41Å; F165-N169 VanDerWaalsContact O-CG 3.32Å; F165-N169 PolarHBondContact O-N 3.23Å; F165-N169 VanDerWaalsContact O-N 3.16Å; F165-N169 PolarHBondContact O-ND2 3.19Å; E166-N169 PolarHBondContact O-N 3Å; E167-N169 VanDerWaalsContact C-N 3.29Å; E167-N169 PolarHBondContact O-N 3.17Å; N169-G172 PolarHBondContact O-N 3.03Å; N169-V173 WeakPolarHBondContact O-CG2 3.28Å; N169-V173 PolarHBondContact O-N 3.32Å; N169-K203 HydrophobicContact CB-CD 3.59Å; N169-K203 VanDerWaalsContact CG-CD 3.42Å; N169-K203 WeakPolarHBondContact ND2-CE 3.3Å; N169-K203 PolarHBondContact ND2-NZ 2.9Å; N169-K203 WeakPolarHBondContact OD1-CD 3.5Å; N169-K203 WeakPolarHBondContact OD1-CE 3.35Å; N169-K203 PolarHBondContact OD1-NZ 3.49Å
170T95.6Very high95.2Very high85 Ų8549.4 Ų49.452%0.52123%0.232SC..Hα-helixtrans-59.4-48.9175.2-640000110.4E166 E167 G172 V173 E174E166-T170 PolarHBondContact O-N 2.86Å; E166-T170 PolarHBondContact O-OG1 3.21Å; E166-T170 VanDerWaalsContact O-OG1 3.1Å; E167-T170 PolarHBondContact O-N 3.24Å; T170-G172 PolarHBondContact O-N 2.79Å; T170-V173 PolarHBondContact O-N 3.17Å; T170-E174 HydrophobicContact CG2-CG 4.42Å; T170-E174 WeakPolarHBondContact O-CG 3.26Å; T170-E174 PolarHBondContact O-N 3.22Å
171R97Very high95.4Very high22 Ų2251.8 Ų51.88%0.08324%0.24CC..Hα-helixtrans-51.6-54.3175.3173.2173.661.782.3-15.7111.2G118 F120 I154 E163 E167 V173 E174 T175G118-R171 VanDerWaalsContact C-NH1 3.35Å; G118-R171 PolarHBondContact O-NH1 3.05Å; F120-R171 PolarHBondContact O-NH1 2.86Å; F120-R171 PolarHBondContact O-NH2 2.75Å; I154-R171 HydrophobicContact CD1-CG 3.55Å; E163-R171 IonicContact OE1-CZ 3.52Å; E163-R171 IonicContact OE1-NE 3.57Å; E163-R171 IonicContact OE1-NH2 2.67Å; E163-R171 PolarHBondContact OE1-NH2 2.78Å; E163-R171 IonicContact OE2-CZ 3.54Å; E163-R171 IonicContact OE2-NE 2.78Å; E163-R171 PolarHBondContact OE2-NE 2.88Å; E163-R171 IonicContact OE2-NH2 3.46Å; E163-R171 PolarHBondContact OE2-NH2 3.23Å; E167-R171 VanDerWaalsContact O-CB 3.28Å; E167-R171 WeakPolarHBondContact O-CB 3.33Å; E167-R171 PolarHBondContact O-N 2.84Å; R171-V173 VanDerWaalsContact C-N 3.32Å; R171-V173 PolarHBondContact O-N 2.85Å; R171-E174 PolarHBondContact O-N 3.11Å; R171-T175 WeakPolarHBondContact O-CB 3.42Å; R171-T175 PolarHBondContact O-N 3.39Å; R171-T175 PolarHBondContact O-OG1 3.12Å
172G96.8Very high95.6Very high0 Ų052.3 Ų52.30%025%0.25CS..Hα-helixtrans-61.3-39-178.700000113.2F168 N169 T170 T175 I176 L200F168-G172 PolarHBondContact O-N 2.82Å; N169-G172 PolarHBondContact O-N 3.03Å; T170-G172 PolarHBondContact O-N 2.79Å; G172-T175 WeakPolarHBondContact O-CB 3.42Å; G172-T175 PolarHBondContact O-N 3.02Å; G172-I176 WeakPolarHBondContact O-CG1 3.48Å; G172-I176 PolarHBondContact O-N 3.44Å; G172-L200 VanDerWaalsContact C-CD1 3.47Å
173V96.7Very high95.8Very high13 Ų1349.9 Ų49.98%0.07924%0.237CC..Hα-helixtrans-66.5-45.3178.5168.90000111N169 T170 R171 T175 I176 R177 L200 K203N169-V173 WeakPolarHBondContact O-CG2 3.28Å; N169-V173 PolarHBondContact O-N 3.32Å; T170-V173 PolarHBondContact O-N 3.17Å; R171-V173 VanDerWaalsContact C-N 3.32Å; R171-V173 PolarHBondContact O-N 2.85Å; V173-T175 VanDerWaalsContact C-N 3.3Å; V173-T175 PolarHBondContact O-N 3.1Å; V173-I176 PolarHBondContact O-N 2.84Å; V173-R177 VanDerWaalsContact CG1-CZ 3.42Å; V173-R177 WeakPolarHBondContact O-CG 3.5Å; V173-R177 PolarHBondContact O-N 3.46Å; V173-L200 HydrophobicContact CG2-CD1 4.28Å; V173-K203 HydrophobicContact CG2-CB 3.73Å
174E97.8Very high96Very high65 Ų6552.6 Ų52.630%0.30426%0.255SS..Hα-helixtrans-63.3-37.4175.7-67-48.9129.100112Y153 T170 R171 R177 Y178Y153-E174 HydrophobicContact CE1-CB 3.73Å; T170-E174 HydrophobicContact CG2-CG 4.42Å; T170-E174 WeakPolarHBondContact O-CG 3.26Å; T170-E174 PolarHBondContact O-N 3.22Å; R171-E174 PolarHBondContact O-N 3.11Å; E174-R177 PolarHBondContact O-N 3.5Å; E174-R177 IonicContact OE1-CZ 3.7Å; E174-R177 IonicContact OE1-NH1 2.61Å; E174-R177 PolarHBondContact OE1-NH1 2.95Å; E174-Y178 WeakPolarHBondContact O-CB 3.43Å; E174-Y178 PolarHBondContact O-N 2.77Å
175T98.3Very high95.9Very high0 Ų057 Ų570%028%0.282CS..Hα-helixtrans-60-47.2172.8-60.40000112.2E116 G118 L119 R171 G172 V173 R177 Y178 I179E116-T175 HydrophobicContact CG-CG2 3.33Å; G118-T175 WeakPolarHBondContact CA-OG1 3.49Å; L119-T175 HydrophobicContact CD2-CG2 3.97Å; L119-T175 HydrophobicContact CG-CG2 4.12Å; R171-T175 WeakPolarHBondContact O-CB 3.42Å; R171-T175 PolarHBondContact O-N 3.39Å; R171-T175 PolarHBondContact O-OG1 3.12Å; G172-T175 WeakPolarHBondContact O-CB 3.42Å; G172-T175 PolarHBondContact O-N 3.02Å; V173-T175 VanDerWaalsContact C-N 3.3Å; V173-T175 PolarHBondContact O-N 3.1Å; T175-R177 VanDerWaalsContact C-N 3.35Å; T175-Y178 PolarHBondContact O-N 3.33Å; T175-I179 HydrophobicContact CG2-CD1 4.02Å; T175-I179 WeakPolarHBondContact O-CG1 3.1Å; T175-I179 PolarHBondContact O-N 2.95Å
176I97.3Very high96Very high3 Ų360.4 Ų60.42%0.01532%0.319CS..Hα-helixtrans-65.1-41.2177.6-65.2176.3000110.2G172 V173 Y178 I179 M180 L191 L200 F201 Y204G172-I176 WeakPolarHBondContact O-CG1 3.48Å; G172-I176 PolarHBondContact O-N 3.44Å; V173-I176 PolarHBondContact O-N 2.84Å; I176-Y178 VanDerWaalsContact C-N 3.34Å; I176-Y178 PolarHBondContact O-N 3.4Å; I176-I179 PolarHBondContact O-N 3.29Å; I176-M180 HydrophobicContact CG2-CG 3.84Å; I176-M180 WeakPolarHBondContact O-CB 3.18Å; I176-M180 WeakPolarHBondContact O-CG 3.35Å; I176-M180 PolarHBondContact O-N 3.31Å; I176-L191 HydrophobicContact CD1-CD1 4.21Å; I176-L191 HydrophobicContact CG1-CD1 4.15Å; I176-L200 HydrophobicContact CD1-CD1 4.41Å; I176-L200 HydrophobicContact CD1-CD2 3.7Å; I176-L200 HydrophobicContact CD1-CG 3.63Å; I176-L200 HydrophobicContact CG1-CD2 4.34Å; I176-F201 HydrophobicContact CD1-CD2 4.16Å; I176-F201 HydrophobicContact CG2-CE2 4.4Å; I176-Y204 HydrophobicContact CB-CD2 3.85Å; I176-Y204 HydrophobicContact CB-CE2 4.23Å; I176-Y204 HydrophobicContact CB-CG 4.26Å; I176-Y204 HydrophobicContact CG2-CD1 3.99Å; I176-Y204 HydrophobicContact CG2-CD2 3.49Å; I176-Y204 VanDerWaalsContact CG2-CD2 3.49Å; I176-Y204 HydrophobicContact CG2-CE1 4.06Å; I176-Y204 HydrophobicContact CG2-CE2 3.57Å; I176-Y204 HydrophobicContact CG2-CG 3.71Å
177R97Very high96.1Very high124 Ų12456.1 Ų56.147%0.46830%0.302SS..Hα-helixtrans-57.7-45.7175-73.9174178.6154.42.3112.1V173 E174 T175 M180 K181 Y204V173-R177 VanDerWaalsContact CG1-CZ 3.42Å; V173-R177 WeakPolarHBondContact O-CG 3.5Å; V173-R177 PolarHBondContact O-N 3.46Å; E174-R177 PolarHBondContact O-N 3.5Å; E174-R177 IonicContact OE1-CZ 3.7Å; E174-R177 IonicContact OE1-NH1 2.61Å; E174-R177 PolarHBondContact OE1-NH1 2.95Å; T175-R177 VanDerWaalsContact C-N 3.35Å; R177-M180 PolarHBondContact O-N 2.88Å; R177-K181 PolarHBondContact O-N 3.48Å; R177-K181 VanDerWaalsContact O-N 3.13Å; R177-Y204 HydrophobicContact CG-CD2 4.08Å; R177-Y204 HydrophobicContact CG-CE2 3.72Å
178Y98.3Very high96.2Very high75 Ų7553.7 Ų53.729%0.29430%0.295SS..Hα-helixtrans-60.2-48.8175.9176.1-90.7000111.6Y150 K151 Y153 E174 T175 I176 M180 K181Y150-Y178 HydrophobicContact CE2-CE1 4.37Å; K151-Y178 WeakPolarHBondContact O-CE1 3.46Å; K151-Y178 PolarHBondContact O-OH 3.41Å; Y153-Y178 AromaticContact CD2-CD2 3.83Å; Y153-Y178 HydrophobicContact CD2-CD2 3.83Å; Y153-Y178 HydrophobicContact CD2-CE2 4.46Å; Y153-Y178 AromaticContact CD2-CG 3.98Å; Y153-Y178 HydrophobicContact CD2-CG 3.98Å; Y153-Y178 HydrophobicContact CG-CD1 4.44Å; Y153-Y178 HydrophobicContact CG-CD2 4.3Å; Y153-Y178 AromaticContact CG-CG 4Å; Y153-Y178 HydrophobicContact CG-CG 4Å; E174-Y178 WeakPolarHBondContact O-CB 3.43Å; E174-Y178 PolarHBondContact O-N 2.77Å; T175-Y178 PolarHBondContact O-N 3.33Å; I176-Y178 VanDerWaalsContact C-N 3.34Å; I176-Y178 PolarHBondContact O-N 3.4Å; Y178-M180 PolarHBondContact O-N 2.93Å; Y178-K181 WeakPolarHBondContact O-CB 3.31Å; Y178-K181 PolarHBondContact O-N 3.42Å
179I97.8Very high96.4Very high3 Ų355.3 Ų55.32%0.01530%0.304CS..Hα-helixtrans-57.2-53.3178.1-72.6169.1000110.1Y83 E116 L119 T175 I176 K181 D182 I183 L191Y83-I179 HydrophobicContact CD1-CD1 3.71Å; Y83-I179 HydrophobicContact CD1-CG1 3.89Å; Y83-I179 HydrophobicContact CD1-CG2 4.37Å; Y83-I179 HydrophobicContact CD2-CG2 4.07Å; Y83-I179 HydrophobicContact CE1-CB 4.37Å; Y83-I179 HydrophobicContact CE1-CD1 4.08Å; Y83-I179 HydrophobicContact CE1-CG1 3.72Å; Y83-I179 HydrophobicContact CE1-CG2 3.92Å; Y83-I179 HydrophobicContact CE2-CG2 3.61Å; Y83-I179 HydrophobicContact CG-CD1 4Å; Y83-I179 HydrophobicContact CG-CG2 4.44Å; E116-I179 HydrophobicContact CG-CD1 4.29Å; L119-I179 HydrophobicContact CD1-CD1 4.41Å; T175-I179 HydrophobicContact CG2-CD1 4.02Å; T175-I179 WeakPolarHBondContact O-CG1 3.1Å; T175-I179 PolarHBondContact O-N 2.95Å; I176-I179 PolarHBondContact O-N 3.29Å; I179-K181 PolarHBondContact O-N 3.43Å; I179-D182 PolarHBondContact O-N 2.84Å; I179-I183 HydrophobicContact CG2-CG1 4.33Å; I179-I183 VanDerWaalsContact O-CG1 3.32Å; I179-I183 WeakPolarHBondContact O-CG1 3.18Å; I179-L191 HydrophobicContact CD1-CD2 4.2Å
180M95.8Very high96.5Very high41 Ų4155.3 Ų55.320%0.20231%0.305CS..Hα-helixtrans-68.1-21.9-171.7-66.4-55.6-59.500113.6I176 R177 Y178 D182 I183 V189 W238I176-M180 HydrophobicContact CG2-CG 3.84Å; I176-M180 WeakPolarHBondContact O-CB 3.18Å; I176-M180 WeakPolarHBondContact O-CG 3.35Å; I176-M180 PolarHBondContact O-N 3.31Å; R177-M180 PolarHBondContact O-N 2.88Å; Y178-M180 PolarHBondContact O-N 2.93Å; M180-D182 PolarHBondContact O-N 2.93Å; M180-I183 HydrophobicContact CE-CB 4.31Å; M180-I183 HydrophobicContact CE-CG2 4.32Å; M180-I183 PolarHBondContact O-N 2.86Å; M180-I183 HydrophobicContact SD-CG1 4.19Å; M180-V189 HydrophobicContact SD-CG2 4.38Å; M180-W238 HydrophobicContact CE-CH2 3.68Å; M180-W238 HydrophobicContact CE-CZ2 4.03Å
181K95.8Very high96.7Very high171 Ų17152.8 Ų52.874%0.74329%0.288SS*.Hα-helixtrans-55.6-37177.9-176.1-175.9173.6-173.10113.1R177 Y178 I179R177-K181 PolarHBondContact O-N 3.48Å; R177-K181 VanDerWaalsContact O-N 3.13Å; Y178-K181 WeakPolarHBondContact O-CB 3.31Å; Y178-K181 PolarHBondContact O-N 3.42Å; I179-K181 PolarHBondContact O-N 3.43Å
182D93.4Very high96.7Very high114 Ų11451.8 Ų51.861%0.6128%0.284SS*.THydrogen-bonded Turntrans-1047.9-174.7-61.5-28.9000112.6I179 M180 P184I179-D182 PolarHBondContact O-N 2.84Å; M180-D182 PolarHBondContact O-N 2.93Å; D182-P184 WeakPolarHBondContact O-CD 3.31Å
183I96.4Very high96.8Very high23 Ų2352.4 Ų52.412%0.11829%0.288CS..PPolyproline II helixtrans-88.6121.2-179.9-61.3-62.5000109.6Y81 Y83 I179 M180 V189Y81-I183 HydrophobicContact CD2-CD1 3.61Å; Y81-I183 HydrophobicContact CD2-CG2 4.37Å; Y81-I183 HydrophobicContact CE2-CD1 4.02Å; Y81-I183 HydrophobicContact CE2-CG2 4.36Å; Y81-I183 HydrophobicContact CG-CD1 3.89Å; Y83-I183 HydrophobicContact CE2-CD1 4.26Å; I179-I183 HydrophobicContact CG2-CG1 4.33Å; I179-I183 VanDerWaalsContact O-CG1 3.32Å; I179-I183 WeakPolarHBondContact O-CG1 3.18Å; M180-I183 HydrophobicContact CE-CB 4.31Å; M180-I183 HydrophobicContact CE-CG2 4.32Å; M180-I183 PolarHBondContact O-N 2.86Å; M180-I183 HydrophobicContact SD-CG1 4.19Å; I183-V189 HydrophobicContact CD1-CG2 3.85Å; I183-V189 HydrophobicContact CG1-CG2 3.97Å; I183-V189 HydrophobicContact CG2-CG2 3.75Å
184P96.3Very high96.8Very high67 Ų6752 Ų5244%0.43529%0.285SS..PPolyproline II helixtrans-61141.2174-22.733.7000112.3Y81 D182 G186 S187Y81-P184 WeakPolarHBondContact OH-CD 2.94Å; D182-P184 WeakPolarHBondContact O-CD 3.31Å; P184-G186 PolarHBondContact O-N 3.35Å; P184-S187 VanDerWaalsContact O-CB 3.24Å; P184-S187 WeakPolarHBondContact O-CB 3.43Å; P184-S187 PolarHBondContact O-N 3.46Å; P184-S187 VanDerWaalsContact O-N 3.11Å; P184-S187 PolarHBondContact O-OG 2.9Å
185V93.7Very high96.8Very high146 Ų14649.3 Ų49.389%0.88527%0.274SS*.THydrogen-bonded Turntrans-54.4134.5175.21770000110.4
186G93.7Very high96.6Very high77 Ų7749.5 Ų49.579%0.79428%0.276SS*.THydrogen-bonded Turntrans87.3-2.4-178.200000115P184P184-G186 PolarHBondContact O-N 3.35Å
187S96.8Very high96.5Very high33 Ų3349.7 Ų49.723%0.23128%0.277CS..  trans-75.6150175.3-52.40000112.3D80 P184D80-S187 WeakPolarHBondContact OD2-CA 3.31Å; P184-S187 VanDerWaalsContact O-CB 3.24Å; P184-S187 WeakPolarHBondContact O-CB 3.43Å; P184-S187 PolarHBondContact O-N 3.46Å; P184-S187 VanDerWaalsContact O-N 3.11Å; P184-S187 PolarHBondContact O-OG 2.9Å
188T96.8Very high96.3Very high53 Ų5345.4 Ų45.433%0.32526%0.261SS..  trans-102.2125.2170.5-57.10000111.3N78 D80 Y81N78-T188 WeakPolarHBondContact O-CB 3.18Å; N78-T188 WeakPolarHBondContact O-CG2 3.48Å; D80-T188 PolarHBondContact N-O 3.02Å; D80-T188 PolarHBondContact OD2-N 2.81Å; Y81-T188 PolarHBondContact N-O 3.41Å
189V98Very high96Very high36 Ų3642 Ų4222%0.21825%0.248CC..EExtended strand (participates in β ladder)trans-112.7123.2-178.3-174.20000110.5Y81 Y83 M180 I183 L191Y81-V189 HydrophobicContact CD2-CG2 4.26Å; Y81-V189 WeakPolarHBondContact O-CA 3.34Å; Y83-V189 HydrophobicContact CD2-CG1 3.62Å; Y83-V189 HydrophobicContact CE2-CG1 3.77Å; M180-V189 HydrophobicContact SD-CG2 4.38Å; I183-V189 HydrophobicContact CD1-CG2 3.85Å; I183-V189 HydrophobicContact CG1-CG2 3.97Å; I183-V189 HydrophobicContact CG2-CG2 3.75Å; V189-L191 HydrophobicContact CG1-CD2 3.72Å; V189-L191 HydrophobicContact CG1-CG 4.39Å
190L98.2Very high95.8Very high11 Ų1142.3 Ų42.36%0.05825%0.25CS..EExtended strand (participates in β ladder)trans-95.8118.8171.2177.463.2000110.2M1 V79 Y81 V82 Y83 F97 V192M1-L190 HydrophobicContact CB-CD1 3.97Å; M1-L190 HydrophobicContact CE-CD1 4.29Å; M1-L190 HydrophobicContact CE-CD2 4.16Å; V79-L190 HydrophobicContact CG1-CB 3.82Å; Y81-L190 PolarHBondContact O-N 2.68Å; V82-L190 WeakPolarHBondContact CA-O 3.47Å; V82-L190 HydrophobicContact CG1-CD2 4.27Å; V82-L190 HydrophobicContact CG2-CB 4.4Å; V82-L190 HydrophobicContact CG2-CD2 4.49Å; Y83-L190 PolarHBondContact N-O 2.68Å; F97-L190 HydrophobicContact CD1-CD2 3.53Å; F97-L190 HydrophobicContact CD2-CD2 4.06Å; F97-L190 HydrophobicContact CE1-CD2 3.53Å; F97-L190 HydrophobicContact CE2-CD2 4.01Å; F97-L190 HydrophobicContact CG-CD2 3.83Å; F97-L190 HydrophobicContact CZ-CD2 3.78Å; L190-V192 HydrophobicContact CD2-CG2 4.12Å; L190-V192 HydrophobicContact CG-CG2 4.03Å
191L98.4Very high95.7Very high32 Ų3241.6 Ų41.617%0.16825%0.246CC..EExtended strand (participates in β ladder)trans-102.7114.4170.8-52.1-178.1000109.7M1 Y83 L119 I176 I179 V189M1-L191 PolarHBondContact N-O 3.08Å; Y83-L191 HydrophobicContact CD2-CD2 3.92Å; Y83-L191 HydrophobicContact CG-CD2 4.02Å; L119-L191 HydrophobicContact CD1-CD2 4.43Å; I176-L191 HydrophobicContact CD1-CD1 4.21Å; I176-L191 HydrophobicContact CG1-CD1 4.15Å; I179-L191 HydrophobicContact CD1-CD2 4.2Å; V189-L191 HydrophobicContact CG1-CD2 3.72Å; V189-L191 HydrophobicContact CG1-CG 4.39Å
192V98.6Very high95.6Very high0 Ų034.9 Ų34.90%022%0.218CC..EExtended strand (participates in β ladder)trans-96.8120.2174.3-174.40000110M1 Y83 S84 S85 C90 T93 A94 L190M1-V192 HydrophobicContact CE-CG2 3.76Å; M1-V192 WeakPolarHBondContact O-CA 3.48Å; Y83-V192 PolarHBondContact O-N 3.21Å; S84-V192 WeakPolarHBondContact CA-O 3.5Å; S85-V192 PolarHBondContact N-O 2.6Å; C90-V192 HydrophobicContact CB-CG1 4.15Å; C90-V192 WeakPolarHBondContact O-CG1 3.25Å; T93-V192 HydrophobicContact CG2-CG1 3.88Å; A94-V192 HydrophobicContact CB-CB 4.13Å; A94-V192 HydrophobicContact CB-CG2 3.77Å; L190-V192 HydrophobicContact CD2-CG2 4.12Å; L190-V192 HydrophobicContact CG-CG2 4.03Å
193T98.1Very high95.5Very high14 Ų1431.9 Ų31.99%0.08620%0.199CC..BIsolated β-bridgetrans-149.5-157-169.3-169.50000110.8M1 R2 H3 L119 N197M1-T193 PolarHBondContact O-N 3.45Å; R2-T193 CarbonylContact C-O 3.47Å; R2-T193 WeakPolarHBondContact CA-O 3.26Å; H3-T193 PolarHBondContact N-O 3.3Å; L119-T193 PolarHBondContact O-OG1 3.45Å; T193-N197 HydrophobicContact CG2-CB 3.7Å; T193-N197 WeakPolarHBondContact OG1-CB 3.33Å; T193-N197 PolarHBondContact OG1-ND2 3.45Å
194H97.3Very high95.4Very high3 Ų332.2 Ų32.21%0.01420%0.2CC..  trans-113.2167.8-172.2-52.6-84.9000112H3 S85 S87 R89 C90 F120 E121 N197H3-H194 AromaticContact CD2-ND1 3.52Å; H3-H194 AromaticContact NE2-ND1 3.92Å; S85-H194 WeakPolarHBondContact CB-NE2 3.37Å; S85-H194 PolarHBondContact OG-NE2 3.01Å; S87-H194 PolarHBondContact OG-CE1 3.08Å; S87-H194 PolarHBondContact OG-NE2 2.9Å; R89-H194 PolarHBondContact NE-CE1 2.72Å; R89-H194 PolarHBondContact NE-ND1 3.06Å; R89-H194 PolarHBondContact NH2-CE1 3.18Å; R89-H194 VanDerWaalsContact NH2-CE1 3.3Å; C90-H194 PolarHBondContact SG-CE1 3.34Å; F120-H194 AromaticContact CD2-NE2 3.59Å; E121-H194 HydrophobicContact CB-CB 3.65Å; E121-H194 HydrophobicContact CG-CB 4.27Å; E121-H194 PolarHBondContact N-CD2 3.18Å; E121-H194 IonicContact OE1-CE1 3.93Å; E121-H194 IonicContact OE1-CG 2.68Å; E121-H194 IonicContact OE1-ND1 3.19Å; E121-H194 PolarHBondContact OE1-ND1 3.22Å; E121-H194 IonicContact OE2-CG 3.48Å; H194-N197 PolarHBondContact O-N 2.83Å; H194-N197 VanDerWaalsContact O-N 3.13Å
195A95.9Very high95.3Very high10 Ų1031.8 Ų31.88%0.08319%0.189CC..G310 helixtrans-55-44.617500000112.6N197 F198 V219 V222A195-N197 PolarHBondContact O-N 2.98Å; A195-F198 WeakPolarHBondContact O-CB 3.32Å; A195-F198 VanDerWaalsContact O-CD1 3.3Å; A195-F198 WeakPolarHBondContact O-CD1 3.33Å; A195-F198 PolarHBondContact O-N 3.27Å; A195-V219 HydrophobicContact CB-CG2 4.07Å; A195-V222 HydrophobicContact CB-CB 3.82Å; A195-V222 HydrophobicContact CB-CG1 4.14Å; A195-V222 HydrophobicContact CB-CG2 4.34Å
196P95.2Very high95.1Very high4 Ų427.9 Ų27.93%0.02618%0.178CC..G310 helixtrans-47.9-29.1173.9-4145000116.8E121 F124 F168 F198 W215 V219E121-P196 HydrophobicContact CB-CB 3.9Å; E121-P196 HydrophobicContact CB-CG 3.87Å; E121-P196 WeakPolarHBondContact OE2-CD 3.42Å; E121-P196 WeakPolarHBondContact OE2-CG 3.24Å; F124-P196 HydrophobicContact CZ-CG 4.15Å; F168-P196 HydrophobicContact CZ-CB 4.16Å; P196-F198 VanDerWaalsContact C-N 3.32Å; P196-F198 PolarHBondContact O-N 3.38Å; P196-W215 HydrophobicContact CB-CH2 3.99Å; P196-W215 HydrophobicContact CB-CZ2 3.53Å; P196-W215 HydrophobicContact CG-CH2 4.16Å; P196-W215 HydrophobicContact CG-CZ2 4.16Å; P196-W215 WeakPolarHBondContact O-CZ2 3.47Å; P196-W215 PolarHBondContact O-NE1 3.12Å; P196-V219 HydrophobicContact CG-CG2 3.92Å
197N95.4Very high94.7Very high7 Ų728.4 Ų28.44%0.03717%0.166CC..G310 helixtrans-87.99.4-177.4-73.3-45.3000114L119 F168 T193 H194 A195 D199 L200L119-N197 PolarHBondContact O-ND2 3.45Å; L119-N197 VanDerWaalsContact O-ND2 3.08Å; F168-N197 WeakPolarHBondContact CE2-OD1 3.48Å; F168-N197 WeakPolarHBondContact CZ-OD1 3.48Å; T193-N197 HydrophobicContact CG2-CB 3.7Å; T193-N197 WeakPolarHBondContact OG1-CB 3.33Å; T193-N197 PolarHBondContact OG1-ND2 3.45Å; H194-N197 PolarHBondContact O-N 2.83Å; H194-N197 VanDerWaalsContact O-N 3.13Å; A195-N197 PolarHBondContact O-N 2.98Å; N197-D199 PolarHBondContact O-N 2.86Å; N197-D199 VanDerWaalsContact O-N 3.12Å; N197-L200 HydrophobicContact CB-CB 4.23Å; N197-L200 HydrophobicContact CB-CD2 4.33Å; N197-L200 WeakPolarHBondContact O-CB 3.32Å; N197-L200 PolarHBondContact O-N 3.13Å
198F93.4Very high93.9Very high33 Ų3328.8 Ų28.815%0.14518%0.176CC..G310 helixtrans-58.1-28.5-178.580-89.7000114A195 P196 W215 L218 V219 V222 I228A195-F198 WeakPolarHBondContact O-CB 3.32Å; A195-F198 VanDerWaalsContact O-CD1 3.3Å; A195-F198 WeakPolarHBondContact O-CD1 3.33Å; A195-F198 PolarHBondContact O-N 3.27Å; P196-F198 VanDerWaalsContact C-N 3.32Å; P196-F198 PolarHBondContact O-N 3.38Å; F198-W215 AromaticContact CE1-CD1 3.4Å; F198-W215 VanDerWaalsContact CE1-CD1 3.4Å; F198-W215 HydrophobicContact CE1-CD2 4.36Å; F198-W215 AromaticContact CE1-CG 3.95Å; F198-W215 HydrophobicContact CE1-CG 3.95Å; F198-W215 AromaticContact CE1-NE1 3.51Å; F198-W215 AromaticContact CZ-CD1 3.72Å; F198-W215 HydrophobicContact CZ-CG 4.23Å; F198-L218 HydrophobicContact CE1-CB 4.18Å; F198-L218 HydrophobicContact CE2-CB 4.11Å; F198-L218 HydrophobicContact CE2-CD1 3.97Å; F198-L218 HydrophobicContact CZ-CB 3.63Å; F198-L218 HydrophobicContact CZ-CD1 3.98Å; F198-L218 HydrophobicContact CZ-CG 4.46Å; F198-V219 HydrophobicContact CE1-CB 4.33Å; F198-V222 HydrophobicContact CB-CG2 3.86Å; F198-V222 HydrophobicContact CD1-CG2 4.04Å; F198-V222 HydrophobicContact CG-CG2 3.98Å; F198-I228 VanDerWaalsContact O-CD1 3.24Å; F198-I228 WeakPolarHBondContact O-CD1 3.27Å
199D91.9Very high93Very high4 Ų428.1 Ų28.12%0.02118%0.179CC..G310 helixtrans-100.3-1.6-178.1-16652000113N197 F201 N202 K203 G209 T210N197-D199 PolarHBondContact O-N 2.86Å; N197-D199 VanDerWaalsContact O-N 3.12Å; D199-F201 VanDerWaalsContact C-N 3.32Å; D199-F201 PolarHBondContact O-N 2.78Å; D199-N202 WeakPolarHBondContact O-CB 3.25Å; D199-N202 PolarHBondContact O-N 3.09Å; D199-N202 VanDerWaalsContact O-N 3.14Å; D199-N202 PolarHBondContact OD1-ND2 3.45Å; D199-K203 PolarHBondContact O-N 2.9Å; D199-G209 VanDerWaalsContact OD2-CA 3.29Å; D199-G209 WeakPolarHBondContact OD2-CA 3.48Å; D199-T210 VanDerWaalsContact CG-OG1 3.29Å; D199-T210 PolarHBondContact OD1-OG1 3.15Å; D199-T210 WeakPolarHBondContact OD2-CB 3.47Å; D199-T210 PolarHBondContact OD2-N 3.47Å; D199-T210 PolarHBondContact OD2-OG1 3.38Å
200L93.2Very high92.5Very high10 Ų1027.4 Ų27.45%0.05218%0.175CC..Hα-helixtrans-59.1-43.4-171176.357.7000112.2G172 V173 I176 N197 N202 K203 Y204G172-L200 VanDerWaalsContact C-CD1 3.47Å; V173-L200 HydrophobicContact CG2-CD1 4.28Å; I176-L200 HydrophobicContact CD1-CD1 4.41Å; I176-L200 HydrophobicContact CD1-CD2 3.7Å; I176-L200 HydrophobicContact CD1-CG 3.63Å; I176-L200 HydrophobicContact CG1-CD2 4.34Å; N197-L200 HydrophobicContact CB-CB 4.23Å; N197-L200 HydrophobicContact CB-CD2 4.33Å; N197-L200 WeakPolarHBondContact O-CB 3.32Å; N197-L200 PolarHBondContact O-N 3.13Å; L200-N202 VanDerWaalsContact C-N 3.33Å; L200-N202 PolarHBondContact O-N 3.21Å; L200-K203 WeakPolarHBondContact O-CB 3.5Å; L200-K203 PolarHBondContact O-N 3.05Å; L200-Y204 PolarHBondContact O-N 3.23Å
201F93.5Very high92.2Very high26 Ų2631.5 Ų31.511%0.11420%0.201CC..Hα-helixtrans-70.4-29.1-177.9-153.2-87.9000112.8I176 D199 K203 Y204 R205 Y230 W238I176-F201 HydrophobicContact CD1-CD2 4.16Å; I176-F201 HydrophobicContact CG2-CE2 4.4Å; D199-F201 VanDerWaalsContact C-N 3.32Å; D199-F201 PolarHBondContact O-N 2.78Å; F201-K203 VanDerWaalsContact C-N 3.29Å; F201-K203 PolarHBondContact O-N 2.87Å; F201-Y204 HydrophobicContact CD1-CD1 4.41Å; F201-Y204 HydrophobicContact CD2-CD1 4.22Å; F201-Y204 HydrophobicContact CE1-CD1 4.05Å; F201-Y204 HydrophobicContact CE1-CE1 4.47Å; F201-Y204 AromaticContact CE2-CD1 3.83Å; F201-Y204 HydrophobicContact CE2-CD1 3.83Å; F201-Y204 HydrophobicContact CE2-CE1 4.15Å; F201-Y204 AromaticContact CZ-CD1 3.74Å; F201-Y204 HydrophobicContact CZ-CD1 3.74Å; F201-Y204 AromaticContact CZ-CE1 3.89Å; F201-Y204 HydrophobicContact CZ-CE1 3.89Å; F201-Y204 PolarHBondContact O-N 3Å; F201-R205 WeakPolarHBondContact O-CG 3.46Å; F201-R205 PolarHBondContact O-N 3.4Å; F201-Y230 HydrophobicContact CB-CD2 4.05Å; F201-Y230 HydrophobicContact CB-CE2 3.57Å; F201-Y230 AromaticContact CD1-CD1 3.76Å; F201-Y230 HydrophobicContact CD1-CD1 3.76Å; F201-Y230 AromaticContact CD1-CD2 3.18Å; F201-Y230 HydrophobicContact CD1-CD2 3.18Å; F201-Y230 HydrophobicContact CD1-CE1 4.01Å; F201-Y230 AromaticContact CD1-CE2 3.47Å; F201-Y230 HydrophobicContact CD1-CE2 3.47Å; F201-Y230 VanDerWaalsContact CD1-CE2 3.47Å; F201-Y230 AromaticContact CD1-CG 3.34Å; F201-Y230 HydrophobicContact CD1-CG 3.34Å; F201-Y230 AromaticContact CD1-CZ 3.87Å; F201-Y230 HydrophobicContact CD2-CD2 4.4Å; F201-Y230 VanDerWaalsContact CE1-CB 3.47Å; F201-Y230 HydrophobicContact CE1-CD1 4.01Å; F201-Y230 AromaticContact CE1-CD2 3.64Å; F201-Y230 HydrophobicContact CE1-CD2 3.64Å; F201-Y230 HydrophobicContact CE1-CE2 4.37Å; F201-Y230 AromaticContact CE1-CG 3.43Å; F201-Y230 HydrophobicContact CE1-CG 3.43Å; F201-Y230 VanDerWaalsContact CE1-CG 3.43Å; F201-Y230 AromaticContact CG-CD2 3.61Å; F201-Y230 HydrophobicContact CG-CD2 3.61Å; F201-Y230 AromaticContact CG-CE2 3.68Å; F201-Y230 HydrophobicContact CG-CE2 3.68Å; F201-Y230 HydrophobicContact CG-CG 4.23Å; F201-Y230 HydrophobicContact CZ-CD2 4.41Å; F201-Y230 HydrophobicContact CZ-CG 4.38Å; F201-W238 HydrophobicContact CE1-CB 4.06Å; F201-W238 AromaticContact CE1-CD2 3.79Å; F201-W238 HydrophobicContact CE1-CD2 3.79Å; F201-W238 AromaticContact CE1-CE3 3.72Å; F201-W238 HydrophobicContact CE1-CE3 3.72Å; F201-W238 AromaticContact CE1-CG 3.96Å; F201-W238 HydrophobicContact CE1-CG 3.96Å; F201-W238 HydrophobicContact CE1-CZ3 4.42Å; F201-W238 AromaticContact CZ-CD2 3.74Å; F201-W238 HydrophobicContact CZ-CD2 3.74Å; F201-W238 AromaticContact CZ-CE3 3.52Å; F201-W238 HydrophobicContact CZ-CE3 3.52Å; F201-W238 HydrophobicContact CZ-CG 4.34Å; F201-W238 HydrophobicContact CZ-CH2 4.25Å; F201-W238 HydrophobicContact CZ-CZ2 4.46Å; F201-W238 AromaticContact CZ-CZ3 3.79Å; F201-W238 HydrophobicContact CZ-CZ3 3.79Å
202N92.5Very high91.8Very high29 Ų2933 Ų3316%0.15521%0.208CC..Hα-helixtrans-62.4-39.6172.7-73.9-35.2000111.4D199 L200 R205 G206 T207 G208 Y230D199-N202 WeakPolarHBondContact O-CB 3.25Å; D199-N202 PolarHBondContact O-N 3.09Å; D199-N202 VanDerWaalsContact O-N 3.14Å; D199-N202 PolarHBondContact OD1-ND2 3.45Å; L200-N202 VanDerWaalsContact C-N 3.33Å; L200-N202 PolarHBondContact O-N 3.21Å; N202-R205 WeakPolarHBondContact O-CG 3.31Å; N202-R205 PolarHBondContact OD1-NE 3.02Å; N202-R205 PolarHBondContact OD1-NH2 3.46Å; N202-G206 PolarHBondContact O-N 2.84Å; N202-T207 PolarHBondContact O-N 2.91Å; N202-T207 PolarHBondContact O-OG1 3.41Å; N202-G208 CarbonylContact C-O 3.41Å; N202-Y230 PolarHBondContact OD1-OH 3.1Å
203K92.2Very high91.6Very high51 Ų5141.8 Ų41.822%0.22225%0.246CC..Hα-helixtrans-67.4-43.3174.1-65.2-171.8-179.4-120.50111.8N169 V173 D199 L200 F201 R205 G206N169-K203 HydrophobicContact CB-CD 3.59Å; N169-K203 VanDerWaalsContact CG-CD 3.42Å; N169-K203 WeakPolarHBondContact ND2-CE 3.3Å; N169-K203 PolarHBondContact ND2-NZ 2.9Å; N169-K203 WeakPolarHBondContact OD1-CD 3.5Å; N169-K203 WeakPolarHBondContact OD1-CE 3.35Å; N169-K203 PolarHBondContact OD1-NZ 3.49Å; V173-K203 HydrophobicContact CG2-CB 3.73Å; D199-K203 PolarHBondContact O-N 2.9Å; L200-K203 WeakPolarHBondContact O-CB 3.5Å; L200-K203 PolarHBondContact O-N 3.05Å; F201-K203 VanDerWaalsContact C-N 3.29Å; F201-K203 PolarHBondContact O-N 2.87Å; K203-R205 PolarHBondContact O-N 2.67Å; K203-G206 PolarHBondContact O-N 2.91Å
204Y94.4Very high91.4Very high31 Ų3148.8 Ų48.812%0.12227%0.271CS..Hα-helixtrans-57.3-48.4177.3168.7-102.4000112.4I176 R177 L200 F201 G206 W238I176-Y204 HydrophobicContact CB-CD2 3.85Å; I176-Y204 HydrophobicContact CB-CE2 4.23Å; I176-Y204 HydrophobicContact CB-CG 4.26Å; I176-Y204 HydrophobicContact CG2-CD1 3.99Å; I176-Y204 HydrophobicContact CG2-CD2 3.49Å; I176-Y204 VanDerWaalsContact CG2-CD2 3.49Å; I176-Y204 HydrophobicContact CG2-CE1 4.06Å; I176-Y204 HydrophobicContact CG2-CE2 3.57Å; I176-Y204 HydrophobicContact CG2-CG 3.71Å; R177-Y204 HydrophobicContact CG-CD2 4.08Å; R177-Y204 HydrophobicContact CG-CE2 3.72Å; L200-Y204 PolarHBondContact O-N 3.23Å; F201-Y204 HydrophobicContact CD1-CD1 4.41Å; F201-Y204 HydrophobicContact CD2-CD1 4.22Å; F201-Y204 HydrophobicContact CE1-CD1 4.05Å; F201-Y204 HydrophobicContact CE1-CE1 4.47Å; F201-Y204 AromaticContact CE2-CD1 3.83Å; F201-Y204 HydrophobicContact CE2-CD1 3.83Å; F201-Y204 HydrophobicContact CE2-CE1 4.15Å; F201-Y204 AromaticContact CZ-CD1 3.74Å; F201-Y204 HydrophobicContact CZ-CD1 3.74Å; F201-Y204 AromaticContact CZ-CE1 3.89Å; F201-Y204 HydrophobicContact CZ-CE1 3.89Å; F201-Y204 PolarHBondContact O-N 3Å; Y204-G206 PolarHBondContact O-N 2.72Å; Y204-W238 AromaticContact CE1-CE2 3.87Å; Y204-W238 HydrophobicContact CE1-CZ2 4.15Å; Y204-W238 AromaticContact CE1-NE1 3.71Å
205R93.1Very high91.2Very high58 Ų5848.7 Ų48.722%0.21927%0.27CS..THydrogen-bonded Turntrans-76.73.1-179.772.3180-179.9163.3-6.7115F201 N202 K203 T207 Y230 W238F201-R205 WeakPolarHBondContact O-CG 3.46Å; F201-R205 PolarHBondContact O-N 3.4Å; N202-R205 WeakPolarHBondContact O-CG 3.31Å; N202-R205 PolarHBondContact OD1-NE 3.02Å; N202-R205 PolarHBondContact OD1-NH2 3.46Å; K203-R205 PolarHBondContact O-N 2.67Å; R205-T207 VanDerWaalsContact C-N 3.3Å; R205-T207 HydrophobicContact CG-CG2 3.92Å; R205-T207 WeakPolarHBondContact CG-OG1 3.41Å; R205-T207 PolarHBondContact NE-OG1 3.12Å; R205-T207 PolarHBondContact O-N 2.76Å; R205-Y230 VanDerWaalsContact CZ-CE1 3.48Å; R205-W238 HydrophobicContact CB-CB 3.85Å; R205-W238 HydrophobicContact CB-CG 4.17Å; R205-W238 PolarHBondContact NH1-O 2.8Å
206G89.8Confident91.1Very high64 Ų6454.7 Ų54.766%0.6629%0.291SS*.THydrogen-bonded Turntrans74.69.5175.500000115.9N202 K203 Y204 G208N202-G206 PolarHBondContact O-N 2.84Å; K203-G206 PolarHBondContact O-N 2.91Å; Y204-G206 PolarHBondContact O-N 2.72Å; G206-G208 PolarHBondContact O-N 3.19Å
207T86.2Confident91Very high87 Ų8757.3 Ų57.353%0.53431%0.309SS..SBendtrans-73.98.1175.6510000113.6N202 R205N202-T207 PolarHBondContact O-N 2.91Å; N202-T207 PolarHBondContact O-OG1 3.41Å; R205-T207 VanDerWaalsContact C-N 3.3Å; R205-T207 HydrophobicContact CG-CG2 3.92Å; R205-T207 WeakPolarHBondContact CG-OG1 3.41Å; R205-T207 PolarHBondContact NE-OG1 3.12Å; R205-T207 PolarHBondContact O-N 2.76Å
208G79.1Confident91Very high42 Ų4259.4 Ų59.443%0.43332%0.32SS..  trans78.9169.4-167.500000112.3N202 G206N202-G208 CarbonylContact C-O 3.41Å; G206-G208 PolarHBondContact O-N 3.19Å
209G79.3Confident91Very high39 Ų3958.4 Ų58.440%0.40232%0.317SS..  trans-119.2164.6175.200000111.8D199D199-G209 VanDerWaalsContact OD2-CA 3.29Å; D199-G209 WeakPolarHBondContact OD2-CA 3.48Å
210T87.4Confident91Very high21 Ų2164 Ų6413%0.12935%0.351CS..  trans-65.7135.8173.6-58.60000109.9D199 R214 W215 L218D199-T210 VanDerWaalsContact CG-OG1 3.29Å; D199-T210 PolarHBondContact OD1-OG1 3.15Å; D199-T210 WeakPolarHBondContact OD2-CB 3.47Å; D199-T210 PolarHBondContact OD2-N 3.47Å; D199-T210 PolarHBondContact OD2-OG1 3.38Å; T210-R214 HydrophobicContact CG2-CB 3.42Å; T210-R214 VanDerWaalsContact CG2-CB 3.42Å; T210-R214 HydrophobicContact CG2-CG 3.39Å; T210-W215 HydrophobicContact CG2-CB 3.91Å; T210-L218 HydrophobicContact CG2-CD1 4.42Å
211T90.7Very high91Very high97 Ų9772.6 Ų72.660%0.59538%0.383SS*.  trans-59.5150.5171.862.80000110.2K213 R214 W215T211-K213 PolarHBondContact O-N 3.01Å; T211-K213 VanDerWaalsContact O-N 3.1Å; T211-R214 PolarHBondContact O-N 3Å; T211-R214 PolarHBondContact OG1-N 2.73Å; T211-W215 WeakPolarHBondContact O-CB 3.36Å; T211-W215 PolarHBondContact O-N 3.24Å
212M91.5Very high91Very high63 Ų6372 Ų7231%0.3138%0.381SS..Hα-helixtrans-51.3-41.1-180-170-162.7-129.600112.6W122 F165 W215 R216W122-M212 HydrophobicContact CH2-CE 3.31Å; W122-M212 HydrophobicContact CZ2-CE 4.23Å; W122-M212 HydrophobicContact CZ3-CE 3.91Å; F165-M212 HydrophobicContact CB-CE 3.72Å; F165-M212 HydrophobicContact CD1-CB 4.03Å; F165-M212 HydrophobicContact CD1-CG 4.26Å; F165-M212 HydrophobicContact CE1-CB 4.12Å; F165-M212 HydrophobicContact CG-CE 4.27Å; F165-M212 HydrophobicContact CG-CG 4.28Å; M212-W215 PolarHBondContact O-N 3.48Å; M212-R216 WeakPolarHBondContact O-CG 3.39Å; M212-R216 PolarHBondContact O-N 3.2Å; M212-R216 PolarHBondContact SD-NH2 2.6Å
213K93.6Very high91.1Very high185 Ų18573.4 Ų73.480%0.80439%0.392SS*.Hα-helixtrans-59.7-50.9177.2-176.5-179.9-180179.60112.2T211 W215 S217T211-K213 PolarHBondContact O-N 3.01Å; T211-K213 VanDerWaalsContact O-N 3.1Å; K213-W215 VanDerWaalsContact C-N 3.34Å; K213-S217 PolarHBondContact O-N 3.26Å
214R93.7Very high91.3Very high161 Ų16173.2 Ų73.261%0.60839%0.39SS*.Hα-helixtrans-69.1-36.8179.8179.3176.6172.9148.42.2110.7T210 T211 R216 S217 L218T210-R214 HydrophobicContact CG2-CB 3.42Å; T210-R214 VanDerWaalsContact CG2-CB 3.42Å; T210-R214 HydrophobicContact CG2-CG 3.39Å; T211-R214 PolarHBondContact O-N 3Å; T211-R214 PolarHBondContact OG1-N 2.73Å; R214-R216 PolarHBondContact O-N 3.03Å; R214-S217 PolarHBondContact O-N 2.81Å; R214-S217 VanDerWaalsContact O-N 3.15Å; R214-S217 PolarHBondContact O-OG 3.12Å; R214-L218 HydrophobicContact CG-CD1 3.92Å; R214-L218 HydrophobicContact CG-CG 4.43Å; R214-L218 WeakPolarHBondContact O-CG 3.4Å; R214-L218 PolarHBondContact O-N 3.03Å
215W93.5Very high91.4Very high0 Ų072.1 Ų72.10%039%0.386CS..Hα-helixtrans-60-46.4177.8-179.1100000111.1W122 F124 F165 F168 P196 F198 T210 T211 M212 K213 S217 L218 V219W122-W215 HydrophobicContact CE3-CH2 4.06Å; W122-W215 HydrophobicContact CE3-CZ3 4.23Å; W122-W215 HydrophobicContact CZ3-CZ3 4.36Å; F124-W215 HydrophobicContact CD1-CH2 4.19Å; F124-W215 HydrophobicContact CD1-CZ3 4.02Å; F124-W215 AromaticContact CE1-CH2 3.54Å; F124-W215 HydrophobicContact CE1-CH2 3.54Å; F124-W215 AromaticContact CE1-CZ3 3.52Å; F124-W215 HydrophobicContact CE1-CZ3 3.52Å; F124-W215 HydrophobicContact CZ-CH2 4.07Å; F124-W215 HydrophobicContact CZ-CZ3 4.45Å; F165-W215 HydrophobicContact CE2-CB 4.43Å; F165-W215 AromaticContact CE2-CD1 3.97Å; F165-W215 AromaticContact CE2-CD2 3.76Å; F165-W215 HydrophobicContact CE2-CD2 3.76Å; F165-W215 AromaticContact CE2-CE2 3.88Å; F165-W215 HydrophobicContact CE2-CE3 4.24Å; F165-W215 AromaticContact CE2-CG 3.82Å; F165-W215 HydrophobicContact CE2-CG 3.82Å; F165-W215 HydrophobicContact CE2-CZ2 4.43Å; F165-W215 HydrophobicContact CZ-CB 4.03Å; F165-W215 AromaticContact CZ-CD1 3.92Å; F165-W215 HydrophobicContact CZ-CD2 4.24Å; F165-W215 AromaticContact CZ-CG 3.8Å; F165-W215 HydrophobicContact CZ-CG 3.8Å; F168-W215 HydrophobicContact CE1-CZ2 4.32Å; P196-W215 HydrophobicContact CB-CH2 3.99Å; P196-W215 HydrophobicContact CB-CZ2 3.53Å; P196-W215 HydrophobicContact CG-CH2 4.16Å; P196-W215 HydrophobicContact CG-CZ2 4.16Å; P196-W215 WeakPolarHBondContact O-CZ2 3.47Å; P196-W215 PolarHBondContact O-NE1 3.12Å; F198-W215 AromaticContact CE1-CD1 3.4Å; F198-W215 VanDerWaalsContact CE1-CD1 3.4Å; F198-W215 HydrophobicContact CE1-CD2 4.36Å; F198-W215 AromaticContact CE1-CG 3.95Å; F198-W215 HydrophobicContact CE1-CG 3.95Å; F198-W215 AromaticContact CE1-NE1 3.51Å; F198-W215 AromaticContact CZ-CD1 3.72Å; F198-W215 HydrophobicContact CZ-CG 4.23Å; T210-W215 HydrophobicContact CG2-CB 3.91Å; T211-W215 WeakPolarHBondContact O-CB 3.36Å; T211-W215 PolarHBondContact O-N 3.24Å; M212-W215 PolarHBondContact O-N 3.48Å; K213-W215 VanDerWaalsContact C-N 3.34Å; W215-S217 VanDerWaalsContact C-N 3.26Å; W215-S217 PolarHBondContact O-N 3.25Å; W215-L218 PolarHBondContact O-N 3.19Å; W215-L218 VanDerWaalsContact O-N 3.07Å; W215-V219 HydrophobicContact CE3-CB 4.44Å; W215-V219 HydrophobicContact CE3-CG1 4.31Å; W215-V219 HydrophobicContact CH2-CB 4.3Å; W215-V219 HydrophobicContact CH2-CG1 4.37Å; W215-V219 HydrophobicContact CH2-CG2 4.04Å; W215-V219 HydrophobicContact CZ2-CB 4.45Å; W215-V219 HydrophobicContact CZ2-CG2 4.16Å; W215-V219 HydrophobicContact CZ3-CB 4.29Å; W215-V219 HydrophobicContact CZ3-CG1 4.01Å; W215-V219 HydrophobicContact CZ3-CG2 4.49Å; W215-V219 PolarHBondContact O-N 3.48Å
216R92.9Very high91.4Very high137 Ų13773.8 Ų73.852%0.51739%0.393SS..Hα-helixtrans-60.4-33.8176.3-74.1-178.8-172.5-175.81.5112.9M212 R214 L218M212-R216 WeakPolarHBondContact O-CG 3.39Å; M212-R216 PolarHBondContact O-N 3.2Å; M212-R216 PolarHBondContact SD-NH2 2.6Å; R214-R216 PolarHBondContact O-N 3.03Å; R216-L218 VanDerWaalsContact C-N 3.32Å
217S94.2Very high91.6Very high59 Ų5971.8 Ų71.841%0.41337%0.369SS..Hα-helixtrans-74.9-21.3177.873.40000114.2K213 R214 W215 R221K213-S217 PolarHBondContact O-N 3.26Å; R214-S217 PolarHBondContact O-N 2.81Å; R214-S217 VanDerWaalsContact O-N 3.15Å; R214-S217 PolarHBondContact O-OG 3.12Å; W215-S217 VanDerWaalsContact C-N 3.26Å; W215-S217 PolarHBondContact O-N 3.25Å; S217-R221 PolarHBondContact O-NE 3.11Å
218L94.8Very high91.9Very high50 Ų5069.6 Ų69.626%0.26235%0.354SS..Hα-helixtrans-99.8-34-175.7-68.8176.4000112.6F198 T210 R214 W215 R216 T220 R221F198-L218 HydrophobicContact CE1-CB 4.18Å; F198-L218 HydrophobicContact CE2-CB 4.11Å; F198-L218 HydrophobicContact CE2-CD1 3.97Å; F198-L218 HydrophobicContact CZ-CB 3.63Å; F198-L218 HydrophobicContact CZ-CD1 3.98Å; F198-L218 HydrophobicContact CZ-CG 4.46Å; T210-L218 HydrophobicContact CG2-CD1 4.42Å; R214-L218 HydrophobicContact CG-CD1 3.92Å; R214-L218 HydrophobicContact CG-CG 4.43Å; R214-L218 WeakPolarHBondContact O-CG 3.4Å; R214-L218 PolarHBondContact O-N 3.03Å; W215-L218 PolarHBondContact O-N 3.19Å; W215-L218 VanDerWaalsContact O-N 3.07Å; R216-L218 VanDerWaalsContact C-N 3.32Å; L218-T220 PolarHBondContact O-N 3.25Å; L218-R221 WeakPolarHBondContact O-CA 3.48Å; L218-R221 WeakPolarHBondContact O-CB 3.42Å; L218-R221 PolarHBondContact O-N 2.9Å
219V94.1Very high92.6Very high13 Ų1370.5 Ų70.58%0.07935%0.347CS..Hα-helixtrans-56.8-37.5-174.767.50000112.8A195 P196 F198 W215 R221 V222A195-V219 HydrophobicContact CB-CG2 4.07Å; P196-V219 HydrophobicContact CG-CG2 3.92Å; F198-V219 HydrophobicContact CE1-CB 4.33Å; W215-V219 HydrophobicContact CE3-CB 4.44Å; W215-V219 HydrophobicContact CE3-CG1 4.31Å; W215-V219 HydrophobicContact CH2-CB 4.3Å; W215-V219 HydrophobicContact CH2-CG1 4.37Å; W215-V219 HydrophobicContact CH2-CG2 4.04Å; W215-V219 HydrophobicContact CZ2-CB 4.45Å; W215-V219 HydrophobicContact CZ2-CG2 4.16Å; W215-V219 HydrophobicContact CZ3-CB 4.29Å; W215-V219 HydrophobicContact CZ3-CG1 4.01Å; W215-V219 HydrophobicContact CZ3-CG2 4.49Å; W215-V219 PolarHBondContact O-N 3.48Å; V219-R221 PolarHBondContact O-N 3.33Å; V219-V222 PolarHBondContact O-N 2.98Å
220T91.5Very high93.4Very high120 Ų12069.8 Ų69.874%0.73633%0.332SS*.THydrogen-bonded Turntrans-70.5-12178.357.10000113.6L218L218-T220 PolarHBondContact O-N 3.25Å
221R92.9Very high93.7Very high192 Ų19271.4 Ų71.473%0.72534%0.34SS*.THydrogen-bonded Turntrans-101.7-2.3-178.5-55.7-178.1-179.4-169.5-3.3113.4S217 L218 V219 P223S217-R221 PolarHBondContact O-NE 3.11Å; L218-R221 WeakPolarHBondContact O-CA 3.48Å; L218-R221 WeakPolarHBondContact O-CB 3.42Å; L218-R221 PolarHBondContact O-N 2.9Å; V219-R221 PolarHBondContact O-N 3.33Å; R221-P223 VanDerWaalsContact O-CD 3.22Å; R221-P223 WeakPolarHBondContact O-CD 3.06Å
222V93.7Very high94Very high14 Ų1470.6 Ų70.69%0.08533%0.33CS..  trans-77.6110.4-179.2-178.30000108.3R2 A195 F198 V219 Y226R2-V222 PolarHBondContact NH1-O 3.44Å; A195-V222 HydrophobicContact CB-CB 3.82Å; A195-V222 HydrophobicContact CB-CG1 4.14Å; A195-V222 HydrophobicContact CB-CG2 4.34Å; F198-V222 HydrophobicContact CB-CG2 3.86Å; F198-V222 HydrophobicContact CD1-CG2 4.04Å; F198-V222 HydrophobicContact CG-CG2 3.98Å; V219-V222 PolarHBondContact O-N 2.98Å; V222-Y226 HydrophobicContact CG1-CD1 3.79Å; V222-Y226 HydrophobicContact CG1-CG 4.14Å
223P94.5Very high94.1Very high58 Ų5870.5 Ų70.538%0.37733%0.333SS..  trans-75.2163.9-175.829.4-31.2000112.2R2 R221 Y226R2-P223 VanDerWaalsContact CD-O 3.23Å; R2-P223 WeakPolarHBondContact CD-O 3.47Å; R221-P223 VanDerWaalsContact O-CD 3.22Å; R221-P223 WeakPolarHBondContact O-CD 3.06Å; P223-Y226 HydrophobicContact CG-CD2 4.28Å; P223-Y226 HydrophobicContact CG-CG 4.46Å; P223-Y226 WeakPolarHBondContact O-CB 3.38Å; P223-Y226 PolarHBondContact O-N 3.31Å
224Y96.1Very high94.1Very high47 Ų4764.8 Ų64.818%0.18432%0.316CS..THydrogen-bonded Turntrans-56.1145.9172.2-66.7-55.4000111.7R2 H3 G4 E5 D9 Y226R2-Y224 VanDerWaalsContact NH2-CE1 3.28Å; H3-Y224 AromaticContact CE1-CE1 3.89Å; H3-Y224 WeakPolarHBondContact O-CD1 3.36Å; G4-Y224 VanDerWaalsContact C-CD1 3.48Å; G4-Y224 WeakPolarHBondContact O-CD1 3.47Å; G4-Y224 WeakPolarHBondContact O-CE1 3.09Å; E5-Y224 HydrophobicContact CB-CD2 4.12Å; E5-Y224 HydrophobicContact CB-CE2 3.88Å; E5-Y224 HydrophobicContact CG-CE2 4.07Å; D9-Y224 WeakPolarHBondContact CB-OH 3.2Å; D9-Y224 VanDerWaalsContact CG-OH 3.25Å; D9-Y224 PolarHBondContact OD2-OH 3Å; Y224-Y226 PolarHBondContact O-N 2.88Å
225L96.8Very high93.9Very high8 Ų861.9 Ų61.94%0.04232%0.321CS..THydrogen-bonded Turntrans5710.7-179.5-53.6174000114.6M1 R2 H3 A65 V68 T93 C227M1-L225 HydrophobicContact SD-CD2 4.46Å; R2-L225 WeakPolarHBondContact O-CA 3.42Å; R2-L225 PolarHBondContact O-N 2.9Å; H3-L225 PolarHBondContact O-N 2.91Å; A65-L225 HydrophobicContact CB-CD2 4.17Å; V68-L225 HydrophobicContact CG2-CB 4.38Å; V68-L225 HydrophobicContact CG2-CD1 3.88Å; T93-L225 HydrophobicContact CG2-CD2 3.65Å; L225-C227 PolarHBondContact O-N 3.23Å
226Y93.7Very high93.5Very high92 Ų9267.6 Ų67.636%0.36135%0.351SS..  trans-54.4132.4173.1176.2-105.9000110.6M1 R2 V222 P223 Y224 I228M1-Y226 CarbonylContact C-O 3.54Å; M1-Y226 WeakPolarHBondContact CA-O 3.41Å; R2-Y226 PolarHBondContact N-O 3.06Å; V222-Y226 HydrophobicContact CG1-CD1 3.79Å; V222-Y226 HydrophobicContact CG1-CG 4.14Å; P223-Y226 HydrophobicContact CG-CD2 4.28Å; P223-Y226 HydrophobicContact CG-CG 4.46Å; P223-Y226 WeakPolarHBondContact O-CB 3.38Å; P223-Y226 PolarHBondContact O-N 3.31Å; Y224-Y226 PolarHBondContact O-N 2.88Å; Y226-I228 HydrophobicContact CE1-CG2 3.51Å; Y226-I228 WeakPolarHBondContact OH-CG2 3.44Å
227C93.5Very high93.6Very high23 Ų2366.3 Ų66.316%0.15535%0.349CS..  trans-121.1142.6179.3-162.30000110.8L225 P243L225-C227 PolarHBondContact O-N 3.23Å; C227-P243 HydrophobicContact CB-CB 4.06Å; C227-P243 HydrophobicContact CB-CG 4.2Å; C227-P243 WeakPolarHBondContact O-CG 3.49Å
228I92.5Very high93.6Very high41 Ų4165.1 Ų65.121%0.2134%0.336CS..  trans-122.9135.2166.739171000106.4F198 Y226 Y230F198-I228 VanDerWaalsContact O-CD1 3.24Å; F198-I228 WeakPolarHBondContact O-CD1 3.27Å; Y226-I228 HydrophobicContact CE1-CG2 3.51Å; Y226-I228 WeakPolarHBondContact OH-CG2 3.44Å; I228-Y230 HydrophobicContact CB-CE2 4.04Å; I228-Y230 HydrophobicContact CD1-CE2 4.02Å; I228-Y230 HydrophobicContact CG1-CE2 4.3Å
229M94.5Very high93.6Very high60 Ų6066 Ų6630%0.29634%0.339SS..EExtended strand (participates in β ladder)trans-122142.1-178.1-176.4173.5173.200109.7D231 M240 R241M229-D231 WeakPolarHBondContact CE-OD1 3.43Å; M229-M240 WeakPolarHBondContact O-CA 3.45Å; M229-R241 HydrophobicContact CB-CB 4.43Å; M229-R241 HydrophobicContact CG-CB 4.22Å; M229-R241 PolarHBondContact O-N 3.46Å; M229-R241 HydrophobicContact SD-CB 4.45Å
230Y95.2Very high93.6Very high24 Ų2470.3 Ų70.39%0.09436%0.359CS..EExtended strand (participates in β ladder)trans-136140.7174.9-60-95.1000109.3F201 N202 R205 I228 E239 M240F201-Y230 HydrophobicContact CB-CD2 4.05Å; F201-Y230 HydrophobicContact CB-CE2 3.57Å; F201-Y230 AromaticContact CD1-CD1 3.76Å; F201-Y230 HydrophobicContact CD1-CD1 3.76Å; F201-Y230 AromaticContact CD1-CD2 3.18Å; F201-Y230 HydrophobicContact CD1-CD2 3.18Å; F201-Y230 HydrophobicContact CD1-CE1 4.01Å; F201-Y230 AromaticContact CD1-CE2 3.47Å; F201-Y230 HydrophobicContact CD1-CE2 3.47Å; F201-Y230 VanDerWaalsContact CD1-CE2 3.47Å; F201-Y230 AromaticContact CD1-CG 3.34Å; F201-Y230 HydrophobicContact CD1-CG 3.34Å; F201-Y230 AromaticContact CD1-CZ 3.87Å; F201-Y230 HydrophobicContact CD2-CD2 4.4Å; F201-Y230 VanDerWaalsContact CE1-CB 3.47Å; F201-Y230 HydrophobicContact CE1-CD1 4.01Å; F201-Y230 AromaticContact CE1-CD2 3.64Å; F201-Y230 HydrophobicContact CE1-CD2 3.64Å; F201-Y230 HydrophobicContact CE1-CE2 4.37Å; F201-Y230 AromaticContact CE1-CG 3.43Å; F201-Y230 HydrophobicContact CE1-CG 3.43Å; F201-Y230 VanDerWaalsContact CE1-CG 3.43Å; F201-Y230 AromaticContact CG-CD2 3.61Å; F201-Y230 HydrophobicContact CG-CD2 3.61Å; F201-Y230 AromaticContact CG-CE2 3.68Å; F201-Y230 HydrophobicContact CG-CE2 3.68Å; F201-Y230 HydrophobicContact CG-CG 4.23Å; F201-Y230 HydrophobicContact CZ-CD2 4.41Å; F201-Y230 HydrophobicContact CZ-CG 4.38Å; N202-Y230 PolarHBondContact OD1-OH 3.1Å; R205-Y230 VanDerWaalsContact CZ-CE1 3.48Å; I228-Y230 HydrophobicContact CB-CE2 4.04Å; I228-Y230 HydrophobicContact CD1-CE2 4.02Å; I228-Y230 HydrophobicContact CG1-CE2 4.3Å; Y230-E239 CarbonylContact C-O 3.54Å; Y230-E239 WeakPolarHBondContact CA-O 3.47Å; Y230-M240 HydrophobicContact CD1-CB 4.01Å; Y230-M240 HydrophobicContact CE1-CB 3.85Å; Y230-M240 HydrophobicContact CE1-CE 3.92Å; Y230-M240 HydrophobicContact CE1-CG 4.16Å; Y230-M240 WeakPolarHBondContact OH-CE 3.39Å
231D95.1Very high93.7Very high55 Ų5569.4 Ų69.429%0.29434%0.342SS..EExtended strand (participates in β ladder)trans-104.4137.5169.4-67.7-13.8000109.4M229 V233 W238 E239 R241M229-D231 WeakPolarHBondContact CE-OD1 3.43Å; D231-V233 HydrophobicContact CB-CG1 4.26Å; D231-V233 PolarHBondContact O-N 3.23Å; D231-W238 VanDerWaalsContact O-CA 3.32Å; D231-W238 WeakPolarHBondContact O-CA 3.31Å; D231-E239 PolarHBondContact N-O 3.29Å; D231-E239 PolarHBondContact O-N 3.02Å; D231-R241 HydrophobicContact CB-CG 4.24Å; D231-R241 VanDerWaalsContact CG-CG 3.49Å; D231-R241 WeakPolarHBondContact OD2-CG 3.3Å; D231-R241 IonicContact OD2-CZ 3.72Å; D231-R241 IonicContact OD2-NE 2.8Å; D231-R241 PolarHBondContact OD2-NE 3.33Å; D231-R241 IonicContact OD2-NH2 3.82Å
232E95.2Very high93.8Very high80 Ų8065.6 Ų65.637%0.37434%0.342SS..EExtended strand (participates in β ladder)trans-79.298.9163.2-169.7172.1-15700108.7S234 N236 K237 W238E232-S234 WeakPolarHBondContact CG-O 3.42Å; E232-N236 PolarHBondContact OE1-N 3.19Å; E232-K237 CarbonylContact C-O 3.56Å; E232-K237 WeakPolarHBondContact CA-O 3.19Å; E232-W238 HydrophobicContact CB-CD2 4Å; E232-W238 HydrophobicContact CB-CE3 3.88Å; E232-W238 HydrophobicContact CB-CH2 3.69Å; E232-W238 HydrophobicContact CB-CZ2 3.78Å; E232-W238 HydrophobicContact CB-CZ3 3.73Å; E232-W238 HydrophobicContact CG-CD2 4.41Å; E232-W238 HydrophobicContact CG-CH2 4.44Å; E232-W238 HydrophobicContact CG-CZ2 4.05Å
233V94.7Very high93.8Very high62 Ų6267.1 Ų67.138%0.37635%0.352SS..EExtended strand (participates in β ladder)trans-81.4-23.2-176.6-640000112.7D231 K237 E239D231-V233 HydrophobicContact CB-CG1 4.26Å; D231-V233 PolarHBondContact O-N 3.23Å; V233-K237 HydrophobicContact CG2-CB 4.17Å; V233-K237 HydrophobicContact CG2-CD 3.79Å; V233-K237 HydrophobicContact CG2-CG 3.83Å; V233-K237 WeakPolarHBondContact CG2-O 3.3Å; V233-K237 PolarHBondContact N-O 3.38Å; V233-E239 HydrophobicContact CG1-CB 4.06Å; V233-E239 HydrophobicContact CG1-CG 4.08Å; V233-E239 HydrophobicContact CG2-CG 3.87Å
234S92.6Very high93.6Very high64 Ų6466.5 Ų66.545%0.44835%0.348SS..EExtended strand (participates in β ladder)trans-155.8166.4168.266.70000108.1E232 N236 K237E232-S234 WeakPolarHBondContact CG-O 3.42Å; S234-N236 PolarHBondContact O-N 2.81Å; S234-N236 VanDerWaalsContact O-N 3.1Å; S234-K237 WeakPolarHBondContact O-CB 3.43Å; S234-K237 PolarHBondContact O-N 3.35Å; S234-K237 VanDerWaalsContact OG-CB 3.23Å; S234-K237 WeakPolarHBondContact OG-CB 3.48Å
235S89.9Confident93.5Very high101 Ų10165.1 Ų65.171%0.70635%0.345SS*.THydrogen-bonded Turntrans-47.4121.5-177.1-1770000112.3K237S235-K237 PolarHBondContact O-N 3.5Å; S235-K237 VanDerWaalsContact O-N 3.14Å
236N86.5Confident93.1Very high120 Ų12069.9 Ų69.964%0.64238%0.378SS*.THydrogen-bonded Turntrans58.714-177-66-46.8000116.2E232 S234E232-N236 PolarHBondContact OE1-N 3.19Å; S234-N236 PolarHBondContact O-N 2.81Å; S234-N236 VanDerWaalsContact O-N 3.1Å
237K93.7Very high92.6Very high110 Ų11069.1 Ų69.148%0.47839%0.386SS..EExtended strand (participates in β ladder)trans-108.9113175.6-171.6-176.7172.1-162.50110.2E232 V233 S234 S235 E239E232-K237 CarbonylContact C-O 3.56Å; E232-K237 WeakPolarHBondContact CA-O 3.19Å; V233-K237 HydrophobicContact CG2-CB 4.17Å; V233-K237 HydrophobicContact CG2-CD 3.79Å; V233-K237 HydrophobicContact CG2-CG 3.83Å; V233-K237 WeakPolarHBondContact CG2-O 3.3Å; V233-K237 PolarHBondContact N-O 3.38Å; S234-K237 WeakPolarHBondContact O-CB 3.43Å; S234-K237 PolarHBondContact O-N 3.35Å; S234-K237 VanDerWaalsContact OG-CB 3.23Å; S234-K237 WeakPolarHBondContact OG-CB 3.48Å; S235-K237 PolarHBondContact O-N 3.5Å; S235-K237 VanDerWaalsContact O-N 3.14Å; K237-E239 WeakPolarHBondContact CE-OE1 3.45Å; K237-E239 IonicContact NZ-OE1 3.3Å; K237-E239 PolarHBondContact NZ-OE1 2.59Å
238W95.1Very high92.2Very high33 Ų3372.4 Ų72.413%0.12540%0.398CS..EExtended strand (participates in β ladder)trans-114.6121.8-173.6-63.585.3000112.9M180 F201 Y204 R205 D231 E232M180-W238 HydrophobicContact CE-CH2 3.68Å; M180-W238 HydrophobicContact CE-CZ2 4.03Å; F201-W238 HydrophobicContact CE1-CB 4.06Å; F201-W238 AromaticContact CE1-CD2 3.79Å; F201-W238 HydrophobicContact CE1-CD2 3.79Å; F201-W238 AromaticContact CE1-CE3 3.72Å; F201-W238 HydrophobicContact CE1-CE3 3.72Å; F201-W238 AromaticContact CE1-CG 3.96Å; F201-W238 HydrophobicContact CE1-CG 3.96Å; F201-W238 HydrophobicContact CE1-CZ3 4.42Å; F201-W238 AromaticContact CZ-CD2 3.74Å; F201-W238 HydrophobicContact CZ-CD2 3.74Å; F201-W238 AromaticContact CZ-CE3 3.52Å; F201-W238 HydrophobicContact CZ-CE3 3.52Å; F201-W238 HydrophobicContact CZ-CG 4.34Å; F201-W238 HydrophobicContact CZ-CH2 4.25Å; F201-W238 HydrophobicContact CZ-CZ2 4.46Å; F201-W238 AromaticContact CZ-CZ3 3.79Å; F201-W238 HydrophobicContact CZ-CZ3 3.79Å; Y204-W238 AromaticContact CE1-CE2 3.87Å; Y204-W238 HydrophobicContact CE1-CZ2 4.15Å; Y204-W238 AromaticContact CE1-NE1 3.71Å; R205-W238 HydrophobicContact CB-CB 3.85Å; R205-W238 HydrophobicContact CB-CG 4.17Å; R205-W238 PolarHBondContact NH1-O 2.8Å; D231-W238 VanDerWaalsContact O-CA 3.32Å; D231-W238 WeakPolarHBondContact O-CA 3.31Å; E232-W238 HydrophobicContact CB-CD2 4Å; E232-W238 HydrophobicContact CB-CE3 3.88Å; E232-W238 HydrophobicContact CB-CH2 3.69Å; E232-W238 HydrophobicContact CB-CZ2 3.78Å; E232-W238 HydrophobicContact CB-CZ3 3.73Å; E232-W238 HydrophobicContact CG-CD2 4.41Å; E232-W238 HydrophobicContact CG-CH2 4.44Å; E232-W238 HydrophobicContact CG-CZ2 4.05Å
239E94.8Very high91.9Very high70 Ų7075.4 Ų75.433%0.32742%0.419SS..EExtended strand (participates in β ladder)trans-109.9137.6178.2-67.8-176.9-173.700110.6Y230 D231 V233 K237Y230-E239 CarbonylContact C-O 3.54Å; Y230-E239 WeakPolarHBondContact CA-O 3.47Å; D231-E239 PolarHBondContact N-O 3.29Å; D231-E239 PolarHBondContact O-N 3.02Å; V233-E239 HydrophobicContact CG1-CB 4.06Å; V233-E239 HydrophobicContact CG1-CG 4.08Å; V233-E239 HydrophobicContact CG2-CG 3.87Å; K237-E239 WeakPolarHBondContact CE-OE1 3.45Å; K237-E239 IonicContact NZ-OE1 3.3Å; K237-E239 PolarHBondContact NZ-OE1 2.59Å
240M93.6Very high91.7Very high102 Ų10275.8 Ų75.850%0.50242%0.418SS..EExtended strand (participates in β ladder)trans-73.2137.8178.8-173.7-176.2-70.600109.8M229 Y230M229-M240 WeakPolarHBondContact O-CA 3.45Å; Y230-M240 HydrophobicContact CD1-CB 4.01Å; Y230-M240 HydrophobicContact CE1-CB 3.85Å; Y230-M240 HydrophobicContact CE1-CE 3.92Å; Y230-M240 HydrophobicContact CE1-CG 4.16Å; Y230-M240 WeakPolarHBondContact OH-CE 3.39Å
241R94.1Very high91.3Very high102 Ų10282 Ų8239%0.38545%0.453SS..EExtended strand (participates in β ladder)trans-121.3154.2175.3-64.5-61.6-170.8-162.8-11.6111.3M229 D231M229-R241 HydrophobicContact CB-CB 4.43Å; M229-R241 HydrophobicContact CG-CB 4.22Å; M229-R241 PolarHBondContact O-N 3.46Å; M229-R241 HydrophobicContact SD-CB 4.45Å; D231-R241 HydrophobicContact CB-CG 4.24Å; D231-R241 VanDerWaalsContact CG-CG 3.49Å; D231-R241 WeakPolarHBondContact OD2-CG 3.3Å; D231-R241 IonicContact OD2-CZ 3.72Å; D231-R241 IonicContact OD2-NE 2.8Å; D231-R241 PolarHBondContact OD2-NE 3.33Å; D231-R241 IonicContact OD2-NH2 3.82Å
242P93.5Very high90.7Very high112 Ų11284.8 Ų84.873%0.72748%0.477SS*.  trans-56.4129.6163.6-20.532.8000109.6
243P93.5Very high90Very high45 Ų4588.4 Ų88.429%0.29250%0.499SS..  trans-58.5146.5169.2-20.932000110.4C227 V245C227-P243 HydrophobicContact CB-CB 4.06Å; C227-P243 HydrophobicContact CB-CG 4.2Å; C227-P243 WeakPolarHBondContact O-CG 3.49Å; P243-V245 VanDerWaalsContact C-N 3.26Å; P243-V245 PolarHBondContact O-N 2.94Å
244P92.1Very high89.4Confident46 Ų4690.9 Ų90.930%0.29951%0.51SS..SBendtrans-66.3-31.1-17826.8-34.8000112.1F72 L75 A77F72-P244 HydrophobicContact CD1-CG 3.81Å; F72-P244 HydrophobicContact CE1-CG 3.34Å; F72-P244 HydrophobicContact CE2-CG 4.11Å; F72-P244 HydrophobicContact CG-CG 4.37Å; F72-P244 HydrophobicContact CZ-CG 3.51Å; L75-P244 WeakPolarHBondContact CD1-O 3.26Å; A77-P244 HydrophobicContact CB-CB 3.59Å; A77-P244 HydrophobicContact CB-CG 3.63Å
245V93.1Very high88.8Confident17 Ų1790.3 Ų90.310%0.10351%0.509CS..SBendtrans-107.8133.8-179.2-178.30000109.8V68 E71 F72 L75 P243V68-V245 HydrophobicContact CG1-CG1 4.38Å; E71-V245 HydrophobicContact CB-CG1 3.97Å; E71-V245 HydrophobicContact CB-CG2 3.87Å; E71-V245 HydrophobicContact CG-CB 4.31Å; E71-V245 HydrophobicContact CG-CG1 3.75Å; E71-V245 HydrophobicContact CG-CG2 3.69Å; F72-V245 HydrophobicContact CB-CG2 4.4Å; F72-V245 HydrophobicContact CD2-CB 3.93Å; F72-V245 HydrophobicContact CD2-CG2 3.2Å; F72-V245 HydrophobicContact CE2-CB 3.81Å; F72-V245 HydrophobicContact CE2-CG2 3.57Å; F72-V245 HydrophobicContact CG-CG2 3.92Å; L75-V245 HydrophobicContact CD1-CG2 4.06Å; P243-V245 VanDerWaalsContact C-N 3.26Å; P243-V245 PolarHBondContact O-N 2.94Å
246C87.6Confident88.4Confident109 Ų10993.8 Ų93.874%0.73651%0.508SS*.  trans-66.9165.3174.862.70000111.7
247S84.1Confident88.2Confident76 Ų7691.6 Ų91.653%0.53150%0.496SS..  trans-60149.517354.40000111.3P249S247-P249 WeakPolarHBondContact O-CD 3.04Å
248F85.6Confident87.9Confident92 Ų9295 Ų9540%0.40451%0.506SS..  trans-108.170.3172.8-157.5-63.7000110T64 A67 Y250T64-F248 HydrophobicContact CG2-CD1 3.64Å; T64-F248 HydrophobicContact CG2-CE1 3.44Å; T64-F248 VanDerWaalsContact CG2-CE1 3.44Å; T64-F248 HydrophobicContact CG2-CG 4.33Å; T64-F248 HydrophobicContact CG2-CZ 3.95Å; A67-F248 HydrophobicContact CB-CD2 4.41Å; A67-F248 HydrophobicContact CB-CE2 3.84Å; F248-Y250 AromaticContact CD1-CD1 3.83Å; F248-Y250 HydrophobicContact CD1-CD1 3.83Å; F248-Y250 HydrophobicContact CD1-CE1 4.08Å; F248-Y250 HydrophobicContact CE1-CD1 4.17Å; F248-Y250 WeakPolarHBondContact O-CD1 3.44Å
249P86.4Confident87.6Confident103 Ų103100.7 Ų100.767%0.66953%0.532SS*.  trans-77.6144.3178.233.9-35.3000111.1S247S247-P249 WeakPolarHBondContact O-CD 3.04Å
250Y89.3Confident87.2Confident69 Ų6999.9 Ų99.927%0.27153%0.532SS..  trans-153.1148.3167.950.3-82.5000107.9E5 M60 T64 F248E5-Y250 VanDerWaalsContact CB-OH 3.23Å; E5-Y250 WeakPolarHBondContact CB-OH 3.33Å; E5-Y250 WeakPolarHBondContact OE2-CE2 3.4Å; M60-Y250 HydrophobicContact CB-CE2 4.49Å; M60-Y250 HydrophobicContact CG-CD2 4.26Å; M60-Y250 HydrophobicContact CG-CE1 4.27Å; M60-Y250 HydrophobicContact CG-CE2 3.5Å; M60-Y250 VanDerWaalsContact CG-CZ 3.5Å; M60-Y250 WeakPolarHBondContact CG-OH 3.33Å; T64-Y250 HydrophobicContact CG2-CD1 4.41Å; T64-Y250 HydrophobicContact CG2-CE1 3.71Å; F248-Y250 AromaticContact CD1-CD1 3.83Å; F248-Y250 HydrophobicContact CD1-CD1 3.83Å; F248-Y250 HydrophobicContact CD1-CE1 4.08Å; F248-Y250 HydrophobicContact CE1-CD1 4.17Å; F248-Y250 WeakPolarHBondContact O-CD1 3.44Å
251D86.4Confident86.7Confident154 Ų15499.2 Ų99.282%0.82454%0.535SS*.  trans-80.9153.2178.3-69.3-37000111.1
252S82.5Confident85.9Confident114 Ų11498.4 Ų98.480%0.79756%0.558SS**  trans-59.2138.6166.653.60000109.6
253N82Confident84.7Confident156 Ų156100.6 Ų100.683%0.83456%0.556SS**  trans-116.3130.7177.5-16915.1000109.5
254D80.7Confident83.1Confident113 Ų113108 Ų10860%0.60459%0.593SS**  trans-69.9151.3-176.4-74.8-41.2000112.3Y256 L264D254-Y256 PolarHBondContact O-N 2.88Å; D254-L264 HydrophobicContact CB-CD2 3.84Å
255A79.9Confident82.6Confident52 Ų52111.2 Ų111.243%0.4361%0.607SS.*  trans-73.7123.1173.600000110.3Y11 N257Y11-A255 WeakPolarHBondContact OH-CB 3.32Å; A255-N257 PolarHBondContact O-N 2.75Å
256Y81.4Confident82.1Confident175 Ų175116.1 Ų116.169%0.68663%0.634SS**  trans-74.7115.1174.2178.8-107.7000111.4D254 W258D254-Y256 PolarHBondContact O-N 2.88Å; Y256-W258 HydrophobicContact CD1-CB 4.2Å; Y256-W258 HydrophobicContact CE1-CB 3.65Å; Y256-W258 PolarHBondContact O-N 3.12Å
257N83.1Confident81.8Confident74 Ų74116.5 Ų116.540%0.39663%0.628SS.*  trans-90.998.4171.8-172.4-11.7000111.5A255 K259 T260A255-N257 PolarHBondContact O-N 2.75Å; N257-K259 PolarHBondContact O-N 3.07Å; N257-K259 WeakPolarHBondContact OD1-CB 3.34Å; N257-K259 PolarHBondContact OD1-N 3.47Å; N257-T260 VanDerWaalsContact CG-OG1 3.31Å; N257-T260 PolarHBondContact ND2-OG1 3.46Å; N257-T260 VanDerWaalsContact ND2-OG1 3.12Å; N257-T260 CarbonylContact O-C 3.53Å; N257-T260 PolarHBondContact O-N 2.83Å; N257-T260 VanDerWaalsContact O-N 3.15Å
258W86.5Confident81.7Confident181 Ų181118.9 Ų118.969%0.68663%0.634SS**THydrogen-bonded Turntrans-65.1-22.6179.972.6-94000114.2Y256 T260 P261Y256-W258 HydrophobicContact CD1-CB 4.2Å; Y256-W258 HydrophobicContact CE1-CB 3.65Å; Y256-W258 PolarHBondContact O-N 3.12Å; W258-T260 VanDerWaalsContact C-N 3.29Å; W258-P261 WeakPolarHBondContact O-CD 3.18Å; W258-P261 WeakPolarHBondContact O-CG 3.43Å
259K88.8Confident81.4Confident152 Ų152120.6 Ų120.666%0.66165%0.648SS**THydrogen-bonded Turntrans-75.1-22.9177.6-65.4-178.2178.1176.10111.9N257N257-K259 PolarHBondContact O-N 3.07Å; N257-K259 WeakPolarHBondContact OD1-CB 3.34Å; N257-K259 PolarHBondContact OD1-N 3.47Å
260T87.1Confident81.1Confident54 Ų54121.7 Ų121.733%0.33165%0.647SS.*SBendtrans-134.46917656.60000110.3N257 W258 G262 K263N257-T260 VanDerWaalsContact CG-OG1 3.31Å; N257-T260 PolarHBondContact ND2-OG1 3.46Å; N257-T260 VanDerWaalsContact ND2-OG1 3.12Å; N257-T260 CarbonylContact O-C 3.53Å; N257-T260 PolarHBondContact O-N 2.83Å; N257-T260 VanDerWaalsContact O-N 3.15Å; W258-T260 VanDerWaalsContact C-N 3.29Å; T260-G262 PolarHBondContact O-N 3.38Å; T260-K263 PolarHBondContact O-N 3.06Å
261P83.5Confident80.5Confident88 Ų88125.5 Ų125.557%0.57167%0.674SS**THydrogen-bonded Turntrans-53.3127.7-179.9-23.234000110.9W258W258-P261 WeakPolarHBondContact O-CD 3.18Å; W258-P261 WeakPolarHBondContact O-CG 3.43Å
262G77Confident80Confident84 Ų84123.3 Ų123.387%0.86666%0.662SS**THydrogen-bonded Turntrans84.2-0.9178.900000116.2T260T260-G262 PolarHBondContact O-N 3.38Å
263K69Low79.8Confident158 Ų158124.1 Ų124.169%0.68765%0.651SS**  trans-100.8114.7165-66.9-171.5177.9-176.70109T260T260-K263 PolarHBondContact O-N 3.06Å
264L58.9Low79.6Confident202 Ų202121.2 Ų121.2100%1.05863%0.634SS**  trans-69.10162.1-67.7170.2000109.3D254D254-L264 HydrophobicContact CB-CD2 3.84Å

Retrieved 264 of 264 residues in 187.1 ms (Link to these results)

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