A0A077ZD23_TRITR Loading...

His Phos 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZD23, 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
1M96.8Very high95.9Very high19 Ų1929.1 Ų29.19%0.09414%0.139CC..  0134.10-172.9173.66500109.8V68 T93 F97 L190 L191 V192 T193 L225 Y226M1-V68 HydrophobicContact SD-CG1 4.14Å; M1-T93 HydrophobicContact CE-CG2 3.82Å; M1-F97 HydrophobicContact CE-CB 4.38Å; M1-F97 HydrophobicContact CE-CD2 3.93Å; M1-F97 HydrophobicContact CE-CG 4.35Å; M1-F97 HydrophobicContact SD-CD2 4.31Å; M1-L190 HydrophobicContact CB-CD1 4.02Å; M1-L190 HydrophobicContact CE-CD1 4.41Å; M1-L190 HydrophobicContact CE-CD2 4.31Å; M1-L191 PolarHBondContact N-O 3.02Å; M1-V192 HydrophobicContact CE-CG2 3.76Å; M1-V192 WeakPolarHBondContact O-CA 3.41Å; M1-T193 PolarHBondContact O-N 2.71Å; M1-L225 HydrophobicContact SD-CD2 4.46Å; M1-Y226 CarbonylContact C-O 3.34Å; M1-Y226 WeakPolarHBondContact CA-O 3.47Å
2R97Very high95.7Very high47 Ų4734.3 Ų34.318%0.17718%0.181CC..BIsolated β-bridgetrans-71.3148.5170.4-173.4-178.2177.8-160.3-4.3110T193 V222 P223 L225 Y226R2-T193 CarbonylContact C-O 3.6Å; R2-T193 VanDerWaalsContact CA-O 3.31Å; R2-T193 WeakPolarHBondContact CA-O 3.31Å; R2-V222 PolarHBondContact NH1-O 3.4Å; R2-P223 VanDerWaalsContact CD-O 3.26Å; R2-P223 WeakPolarHBondContact CD-O 3.37Å; R2-L225 WeakPolarHBondContact O-CA 3.21Å; R2-L225 PolarHBondContact O-N 2.7Å; R2-Y226 PolarHBondContact N-O 3.09Å
3H97.8Very high95.6Very high3 Ų335.3 Ų35.31%0.01419%0.187CC..  trans-56163.3168.765.773.7000113.1R6 R89 T93 T193 H194 Y224 L225H3-R6 VanDerWaalsContact CE1-CD 3.45Å; H3-R6 WeakPolarHBondContact CE1-CD 3.28Å; H3-R89 HydrophobicContact CB-CB 4.38Å; H3-R89 HydrophobicContact CB-CG 4.26Å; H3-R89 PolarHBondContact NE2-NE 3.41Å; H3-T93 WeakPolarHBondContact CA-OG1 3.34Å; H3-T93 WeakPolarHBondContact CB-OG1 3.11Å; H3-T193 PolarHBondContact N-O 3.3Å; H3-H194 AromaticContact CD2-ND1 3.48Å; H3-H194 PolarHBondContact CD2-ND1 3.1Å; H3-H194 AromaticContact NE2-ND1 3.8Å; H3-Y224 AromaticContact CE1-CE1 3.87Å; H3-Y224 WeakPolarHBondContact O-CD1 3.19Å; H3-L225 PolarHBondContact O-N 2.87Å
4G96.5Very high95.5Very high0 Ų032.8 Ų32.80%017%0.174CC..  trans-75.3-176174.700000114.3L57 T93 Y224G4-L57 WeakPolarHBondContact O-CD2 3.36Å; G4-T93 PolarHBondContact N-OG1 3.12Å; G4-Y224 WeakPolarHBondContact O-CD1 3.43Å
5E96.2Very high95.5Very high18 Ų1831.4 Ų31.48%0.08417%0.166CC..  trans-57.3134.1177.7-178.6-173.895.800112.5V10 N32 L57 S58 Y224 Y250E5-V10 HydrophobicContact CG-CG2 3.8Å; E5-V10 VanDerWaalsContact OE1-CG2 3.31Å; E5-V10 WeakPolarHBondContact OE1-CG2 3.48Å; E5-N32 PolarHBondContact OE1-ND2 2.78Å; E5-L57 VanDerWaalsContact O-CA 3.26Å; E5-L57 WeakPolarHBondContact O-CA 3.24Å; E5-L57 VanDerWaalsContact O-CD2 3.23Å; E5-L57 WeakPolarHBondContact O-CD2 3.47Å; E5-S58 WeakPolarHBondContact CG-OG 3.42Å; E5-S58 PolarHBondContact O-N 3.28Å; E5-S58 VanDerWaalsContact OE1-CB 3.28Å; E5-S58 WeakPolarHBondContact OE1-CB 3.38Å; E5-S58 PolarHBondContact OE1-OG 2.79Å; E5-Y224 HydrophobicContact CB-CD2 4.07Å; E5-Y224 HydrophobicContact CB-CE2 3.91Å; E5-Y224 HydrophobicContact CG-CE2 4.09Å; E5-Y250 WeakPolarHBondContact CB-OH 3.27Å; E5-Y250 WeakPolarHBondContact OE2-CE2 3.48Å; E5-Y250 PolarHBondContact OE2-OH 3.27Å
6R96.6Very high95.3Very high43 Ų4339 Ų3916%0.16220%0.2CC..BIsolated β-bridgetrans-100.1152-177.6-49.7-175.5-65.9162.318.4110.9H3 D8 D9 V10 Y224H3-R6 VanDerWaalsContact CE1-CD 3.45Å; H3-R6 WeakPolarHBondContact CE1-CD 3.28Å; R6-D8 VanDerWaalsContact C-N 3.33Å; R6-D8 WeakPolarHBondContact CB-OD1 3.3Å; R6-D8 IonicContact CZ-OD1 2.94Å; R6-D8 IonicContact CZ-OD2 3.3Å; R6-D8 IonicContact NE-OD1 3.02Å; R6-D8 PolarHBondContact NE-OD1 3.37Å; R6-D8 IonicContact NE-OD2 3.91Å; R6-D8 IonicContact NH1-OD2 3.82Å; R6-D8 PolarHBondContact NH1-OD2 2.66Å; R6-D8 IonicContact NH2-OD1 3.55Å; R6-D8 IonicContact NH2-OD2 3.67Å; R6-D8 PolarHBondContact NH2-OD2 3.08Å; R6-D8 PolarHBondContact O-N 3.15Å; R6-D9 HydrophobicContact CB-CB 4.49Å; R6-D9 IonicContact CZ-OD1 3.36Å; R6-D9 IonicContact CZ-OD2 3.74Å; R6-D9 VanDerWaalsContact CZ-OD2 3.3Å; R6-D9 IonicContact NE-OD1 3.24Å; R6-D9 IonicContact NE-OD2 3.88Å; R6-D9 PolarHBondContact NE-OD2 3.48Å; R6-D9 VanDerWaalsContact NH2-CG 3.27Å; R6-D9 IonicContact NH2-OD1 2.79Å; R6-D9 PolarHBondContact NH2-OD1 2.76Å; R6-D9 IonicContact NH2-OD2 2.87Å; R6-D9 PolarHBondContact NH2-OD2 2.79Å; R6-D9 VanDerWaalsContact NH2-OD2 3.17Å; R6-D9 PolarHBondContact O-N 3.32Å; R6-V10 PolarHBondContact O-N 2.95Å; R6-Y224 HydrophobicContact CG-CE1 4.43Å
7C97.4Very high95.1Very high0 Ų043.4 Ų43.40%021%0.214CC..Hα-helixtrans-61.2-40.3176.6-64.60000112.9D9 V10 Y11 F14 M33 P34 P56 L57C7-D9 VanDerWaalsContact C-N 3.29Å; C7-D9 PolarHBondContact O-N 2.81Å; C7-V10 PolarHBondContact O-N 2.76Å; C7-Y11 PolarHBondContact O-N 3.17Å; C7-F14 HydrophobicContact CB-CD1 4.23Å; C7-F14 HydrophobicContact CB-CD2 3.8Å; C7-F14 HydrophobicContact CB-CE1 4.35Å; C7-F14 HydrophobicContact CB-CE2 3.92Å; C7-F14 HydrophobicContact CB-CG 3.96Å; C7-F14 HydrophobicContact CB-CZ 4.2Å; C7-M33 HydrophobicContact CB-CE 4.22Å; C7-M33 HydrophobicContact CB-SD 4Å; C7-P34 VanDerWaalsContact SG-CD 3.51Å; C7-P56 PolarHBondContact N-O 3.32Å; C7-P56 PolarHBondContact SG-O 2.93Å; C7-L57 VanDerWaalsContact SG-C 3.55Å; C7-L57 PolarHBondContact SG-O 3.43Å
8D96.2Very high95Very high30 Ų3040.9 Ų40.916%0.1620%0.202CC..Hα-helixtrans-69.5-24.8-178.265.9-48.5000113.4R6 Y11 S12 F14 P55R6-D8 VanDerWaalsContact C-N 3.33Å; R6-D8 WeakPolarHBondContact CB-OD1 3.3Å; R6-D8 IonicContact CZ-OD1 2.94Å; R6-D8 IonicContact CZ-OD2 3.3Å; R6-D8 IonicContact NE-OD1 3.02Å; R6-D8 PolarHBondContact NE-OD1 3.37Å; R6-D8 IonicContact NE-OD2 3.91Å; R6-D8 IonicContact NH1-OD2 3.82Å; R6-D8 PolarHBondContact NH1-OD2 2.66Å; R6-D8 IonicContact NH2-OD1 3.55Å; R6-D8 IonicContact NH2-OD2 3.67Å; R6-D8 PolarHBondContact NH2-OD2 3.08Å; R6-D8 PolarHBondContact O-N 3.15Å; D8-Y11 WeakPolarHBondContact CA-O 3.42Å; D8-Y11 CarbonylContact O-C 3.25Å; D8-S12 VanDerWaalsContact O-CA 3.22Å; D8-S12 WeakPolarHBondContact O-CA 3.13Å; D8-S12 PolarHBondContact O-N 2.97Å; D8-F14 HydrophobicContact CB-CD1 4.23Å; D8-F14 HydrophobicContact CB-CE1 4.01Å; D8-P55 HydrophobicContact CB-CB 4.05Å; D8-P55 HydrophobicContact CB-CG 4.28Å; D8-P55 VanDerWaalsContact CG-CG 3.47Å; D8-P55 WeakPolarHBondContact OD1-CB 3.4Å; D8-P55 WeakPolarHBondContact OD1-CG 3.46Å
9D93.3Very high94.8Very high76 Ų7639.5 Ų39.541%0.40619%0.194SC..Hα-helixtrans-77.3-24.5174-72.2-31.3000112.2R6 C7 Y224R6-D9 HydrophobicContact CB-CB 4.49Å; R6-D9 IonicContact CZ-OD1 3.36Å; R6-D9 IonicContact CZ-OD2 3.74Å; R6-D9 VanDerWaalsContact CZ-OD2 3.3Å; R6-D9 IonicContact NE-OD1 3.24Å; R6-D9 IonicContact NE-OD2 3.88Å; R6-D9 PolarHBondContact NE-OD2 3.48Å; R6-D9 VanDerWaalsContact NH2-CG 3.27Å; R6-D9 IonicContact NH2-OD1 2.79Å; R6-D9 PolarHBondContact NH2-OD1 2.76Å; R6-D9 IonicContact NH2-OD2 2.87Å; R6-D9 PolarHBondContact NH2-OD2 2.79Å; R6-D9 VanDerWaalsContact NH2-OD2 3.17Å; R6-D9 PolarHBondContact O-N 3.32Å; C7-D9 VanDerWaalsContact C-N 3.29Å; C7-D9 PolarHBondContact O-N 2.81Å; D9-Y224 WeakPolarHBondContact CB-OH 3.47Å; D9-Y224 PolarHBondContact OD2-OH 3.16Å
10V93.3Very high94Very high50 Ų5043.6 Ų43.630%0.30321%0.213SC..Hα-helixtrans-85-48.8174.2-175.50000110.5E5 R6 C7 M33E5-V10 HydrophobicContact CG-CG2 3.8Å; E5-V10 VanDerWaalsContact OE1-CG2 3.31Å; E5-V10 WeakPolarHBondContact OE1-CG2 3.48Å; R6-V10 PolarHBondContact O-N 2.95Å; C7-V10 PolarHBondContact O-N 2.76Å; V10-M33 HydrophobicContact CB-CE 3.91Å; V10-M33 HydrophobicContact CG1-CE 4.03Å; V10-M33 HydrophobicContact CG2-CE 4.43Å
11Y93.5Very high92.9Very high34 Ų3449.5 Ų49.513%0.13324%0.24CC..  trans-134.1104.3175.2-63.1-76.9000109.2C7 D8 D13 F14 F29 D30 M33C7-Y11 PolarHBondContact O-N 3.17Å; D8-Y11 WeakPolarHBondContact CA-O 3.42Å; D8-Y11 CarbonylContact O-C 3.25Å; Y11-D13 PolarHBondContact O-N 3.23Å; Y11-D13 VanDerWaalsContact O-N 3.09Å; Y11-F14 WeakPolarHBondContact O-CB 3.28Å; Y11-F14 WeakPolarHBondContact O-CD1 3.3Å; Y11-F14 PolarHBondContact O-N 2.86Å; Y11-F29 HydrophobicContact CD1-CE2 4.32Å; Y11-F29 AromaticContact CD2-CE2 3.66Å; Y11-F29 HydrophobicContact CD2-CE2 3.66Å; Y11-F29 AromaticContact CD2-CZ 3.95Å; Y11-F29 HydrophobicContact CD2-CZ 3.95Å; Y11-F29 HydrophobicContact CE1-CE2 4.48Å; Y11-F29 AromaticContact CE2-CE2 3.84Å; Y11-F29 HydrophobicContact CE2-CE2 3.84Å; Y11-F29 AromaticContact CG-CE2 3.93Å; Y11-F29 HydrophobicContact CG-CE2 3.93Å; Y11-F29 HydrophobicContact CG-CZ 4.16Å; Y11-D30 HydrophobicContact CE2-CB 3.89Å; Y11-M33 HydrophobicContact CD2-CE 3.64Å; Y11-M33 HydrophobicContact CD2-CG 4.23Å; Y11-M33 HydrophobicContact CD2-SD 3.9Å; Y11-M33 HydrophobicContact CE2-CE 4.12Å; Y11-M33 HydrophobicContact CE2-CG 4.46Å
12S94.1Very high91.6Very high92 Ų9255.1 Ų55.164%0.64327%0.27SS*.THydrogen-bonded Turntrans-60.5-23.7179.958.60000113.2D8 Q52D8-S12 VanDerWaalsContact O-CA 3.22Å; D8-S12 WeakPolarHBondContact O-CA 3.13Å; D8-S12 PolarHBondContact O-N 2.97Å; S12-Q52 PolarHBondContact O-NE2 3.39Å
13D93.7Very high90.8Very high47 Ų4756 Ų5625%0.25128%0.276SS..THydrogen-bonded Turntrans-102.319.6177.664-14.1000113.4Y11 I15 Q16 R17Y11-D13 PolarHBondContact O-N 3.23Å; Y11-D13 VanDerWaalsContact O-N 3.09Å; D13-I15 PolarHBondContact O-N 3.24Å; D13-Q16 WeakPolarHBondContact O-CB 3.24Å; D13-Q16 PolarHBondContact O-N 2.93Å; D13-R17 PolarHBondContact O-N 3.23Å; D13-R17 IonicContact OD1-CZ 3.47Å; D13-R17 IonicContact OD1-NE 3.63Å; D13-R17 PolarHBondContact OD1-NE 3.26Å; D13-R17 IonicContact OD1-NH2 3.15Å; D13-R17 IonicContact OD2-CZ 3.76Å; D13-R17 IonicContact OD2-NE 3.3Å; D13-R17 PolarHBondContact OD2-NE 3.42Å; D13-R17 IonicContact OD2-NH2 3.68Å; D13-R17 PolarHBondContact OD2-NH2 3.15Å
14F95.3Very high90.2Very high0 Ų060.4 Ų60.40%030%0.303CS..Hα-helixtrans-54.5-33.1-174.578.4-75.9000114.1C7 D8 Y11 G18 F26 F29 M33 L37 P55C7-F14 HydrophobicContact CB-CD1 4.23Å; C7-F14 HydrophobicContact CB-CD2 3.8Å; C7-F14 HydrophobicContact CB-CE1 4.35Å; C7-F14 HydrophobicContact CB-CE2 3.92Å; C7-F14 HydrophobicContact CB-CG 3.96Å; C7-F14 HydrophobicContact CB-CZ 4.2Å; D8-F14 HydrophobicContact CB-CD1 4.23Å; D8-F14 HydrophobicContact CB-CE1 4.01Å; Y11-F14 WeakPolarHBondContact O-CB 3.28Å; Y11-F14 WeakPolarHBondContact O-CD1 3.3Å; Y11-F14 PolarHBondContact O-N 2.86Å; F14-G18 PolarHBondContact O-N 3.48Å; F14-F26 HydrophobicContact CD2-CE2 4.34Å; F14-F29 HydrophobicContact CB-CE1 4.28Å; F14-F29 HydrophobicContact CB-CZ 3.97Å; F14-F29 WeakPolarHBondContact O-CE1 3.32Å; F14-M33 HydrophobicContact CB-SD 3.92Å; F14-L37 HydrophobicContact CD2-CD1 4.5Å; F14-L37 HydrophobicContact CE2-CD1 3.93Å; F14-P55 HydrophobicContact CE1-CB 4.31Å; F14-P55 HydrophobicContact CZ-CB 4.21Å
15I95.1Very high89.9Confident12 Ų1264.3 Ų64.36%0.06233%0.327CS..Hα-helixtrans-67.5-42.2175.7-64.2-60.4000111.4D13 Y19 L37 K48 W51 Q52D13-I15 PolarHBondContact O-N 3.24Å; I15-Y19 HydrophobicContact CD1-CE2 4.37Å; I15-Y19 HydrophobicContact CG2-CD2 3.95Å; I15-Y19 HydrophobicContact CG2-CE2 4.25Å; I15-Y19 WeakPolarHBondContact O-CD2 3.42Å; I15-Y19 PolarHBondContact O-N 3.49Å; I15-Y19 VanDerWaalsContact O-N 3.09Å; I15-L37 HydrophobicContact CD1-CD1 3.76Å; I15-K48 HydrophobicContact CG2-CB 3.73Å; I15-K48 HydrophobicContact CG2-CD 4.31Å; I15-K48 HydrophobicContact CG2-CG 3.93Å; I15-W51 HydrophobicContact CD1-CB 3.44Å; I15-W51 VanDerWaalsContact CD1-CB 3.44Å; I15-W51 HydrophobicContact CD1-CG 4.32Å; I15-W51 HydrophobicContact CG1-CB 4.28Å; I15-Q52 HydrophobicContact CG1-CB 4.37Å
16Q92.8Very high89.8Confident153 Ų15363.8 Ų63.872%0.71532%0.324SS*.Hα-helixtrans-66.9-40.2177.2-178.1178.8-10.900111.2D13D13-Q16 WeakPolarHBondContact O-CB 3.24Å; D13-Q16 PolarHBondContact O-N 2.93Å
17R92.1Very high89.6Confident113 Ų11366 Ų6643%0.42634%0.336SS..Hα-helixtrans-67.9-37.9178.4-67.3-176.6-172.9-118.9-9.8113.2D13 F29D13-R17 PolarHBondContact O-N 3.23Å; D13-R17 IonicContact OD1-CZ 3.47Å; D13-R17 IonicContact OD1-NE 3.63Å; D13-R17 PolarHBondContact OD1-NE 3.26Å; D13-R17 IonicContact OD1-NH2 3.15Å; D13-R17 IonicContact OD2-CZ 3.76Å; D13-R17 IonicContact OD2-NE 3.3Å; D13-R17 PolarHBondContact OD2-NE 3.42Å; D13-R17 IonicContact OD2-NH2 3.68Å; D13-R17 PolarHBondContact OD2-NH2 3.15Å; R17-F29 HydrophobicContact CB-CD1 3.62Å; R17-F29 HydrophobicContact CB-CD2 4.09Å; R17-F29 HydrophobicContact CB-CE1 3.48Å; R17-F29 VanDerWaalsContact CB-CE1 3.48Å; R17-F29 HydrophobicContact CB-CE2 3.95Å; R17-F29 HydrophobicContact CB-CG 3.92Å; R17-F29 HydrophobicContact CB-CZ 3.64Å; R17-F29 HydrophobicContact CG-CE2 4.4Å; R17-F29 HydrophobicContact CG-CZ 4.34Å
18G93.1Very high89.5Confident0 Ų071.1 Ų71.10%036%0.356CS..Hα-helixtrans-86-19.6-176.700000114.9F14 F26 H27F14-G18 PolarHBondContact O-N 3.48Å; G18-F26 CarbonylContact O-C 3.44Å; G18-F26 WeakPolarHBondContact O-CA 3.22Å; G18-H27 WeakPolarHBondContact CA-O 3.32Å; G18-H27 PolarHBondContact O-N 3.5Å
19Y90.6Very high89.3Confident13 Ų1372.8 Ų72.85%0.05136%0.362CS..SBendtrans-107.481.8168.7-67.6-87.7000108.5I15 V25 F26 L44 K48I15-Y19 HydrophobicContact CD1-CE2 4.37Å; I15-Y19 HydrophobicContact CG2-CD2 3.95Å; I15-Y19 HydrophobicContact CG2-CE2 4.25Å; I15-Y19 WeakPolarHBondContact O-CD2 3.42Å; I15-Y19 PolarHBondContact O-N 3.49Å; I15-Y19 VanDerWaalsContact O-N 3.09Å; Y19-V25 WeakPolarHBondContact CD1-O 3.38Å; Y19-F26 AromaticContact CD2-CD2 3.86Å; Y19-F26 HydrophobicContact CD2-CD2 3.86Å; Y19-F26 HydrophobicContact CE1-CB 4.02Å; Y19-F26 HydrophobicContact CE2-CB 4.06Å; Y19-F26 AromaticContact CE2-CD2 3.67Å; Y19-F26 HydrophobicContact CE2-CD2 3.67Å; Y19-F26 HydrophobicContact CE2-CG 4.37Å; Y19-L44 HydrophobicContact CE1-CD1 4.02Å; Y19-K48 VanDerWaalsContact CB-NZ 3.31Å; Y19-K48 HydrophobicContact CD2-CD 4.17Å; Y19-K48 HydrophobicContact CD2-CG 4.03Å; Y19-K48 HydrophobicContact CE2-CG 3.95Å; Y19-K48 HydrophobicContact CG-CD 4.25Å; Y19-K48 HydrophobicContact CG-CG 4.48Å
20E79.2Confident89.3Confident122 Ų12271.6 Ų71.657%0.5736%0.355SS*.  trans-61.7165.6177.7-65.1-170.7179.500110.8N22 E23E20-N22 PolarHBondContact O-N 2.87Å; E20-N22 VanDerWaalsContact O-N 3.09Å; E20-E23 WeakPolarHBondContact CB-OE2 3.42Å; E20-E23 PolarHBondContact N-OE2 2.8Å; E20-E23 VanDerWaalsContact O-CB 3.27Å; E20-E23 WeakPolarHBondContact O-CB 3.49Å; E20-E23 WeakPolarHBondContact O-CG 3.31Å; E20-E23 PolarHBondContact O-N 2.86Å
21H69.8Low89.3Confident168 Ų16875.8 Ų75.878%0.77838%0.375SS*.THydrogen-bonded Turntrans-37111.2-167.6-172.676.1000115.2E23H21-E23 PolarHBondContact O-N 3.06Å
22N69.5Low89.4Confident137 Ų13775.4 Ų75.473%0.73338%0.376SS*.THydrogen-bonded Turntrans62.513-179.6-60.6-34.9000116.6E20E20-N22 PolarHBondContact O-N 2.87Å; E20-N22 VanDerWaalsContact O-N 3.09Å
23E80Confident89.5Confident64 Ų6471 Ų7130%0.29935%0.345SS..  trans-74.4141.9175-64.1-174146.500112.1E20 H21 H27E20-E23 WeakPolarHBondContact CB-OE2 3.42Å; E20-E23 PolarHBondContact N-OE2 2.8Å; E20-E23 VanDerWaalsContact O-CB 3.27Å; E20-E23 WeakPolarHBondContact O-CB 3.49Å; E20-E23 WeakPolarHBondContact O-CG 3.31Å; E20-E23 PolarHBondContact O-N 2.86Å; H21-E23 PolarHBondContact O-N 3.06Å; E23-H27 IonicContact OE1-CD2 3.57Å; E23-H27 IonicContact OE1-NE2 3.02Å; E23-H27 IonicContact OE2-CD2 3.31Å; E23-H27 PolarHBondContact OE2-CD2 3.49Å; E23-H27 IonicContact OE2-CG 3.43Å; E23-H27 IonicContact OE2-NE2 2.6Å
24T85.2Confident89.6Confident96 Ų9669.4 Ų69.459%0.58934%0.337SS*.SBendtrans-95.3-10.9176.759.30000112.6L44T24-L44 HydrophobicContact CG2-CD2 4.07Å
25V90.5Very high89.5Confident83 Ų8374.4 Ų74.450%0.50336%0.364SS..SBendtrans-113.2142.5-177.5-178.40000109Y19 H27Y19-V25 WeakPolarHBondContact CD1-O 3.38Å; V25-H27 PolarHBondContact O-CD2 3.27Å; V25-H27 VanDerWaalsContact O-CD2 3.23Å
26F94.3Very high89.4Confident6 Ų681.3 Ų81.33%0.02639%0.393CS..  trans-81.9126.2172.8-178-85.4000109.8F14 G18 Y19 F29 P34 L37F14-F26 HydrophobicContact CD2-CE2 4.34Å; G18-F26 CarbonylContact O-C 3.44Å; G18-F26 WeakPolarHBondContact O-CA 3.22Å; Y19-F26 AromaticContact CD2-CD2 3.86Å; Y19-F26 HydrophobicContact CD2-CD2 3.86Å; Y19-F26 HydrophobicContact CE1-CB 4.02Å; Y19-F26 HydrophobicContact CE2-CB 4.06Å; Y19-F26 AromaticContact CE2-CD2 3.67Å; Y19-F26 HydrophobicContact CE2-CD2 3.67Å; Y19-F26 HydrophobicContact CE2-CG 4.37Å; F26-F29 HydrophobicContact CZ-CE1 4.2Å; F26-P34 WeakPolarHBondContact CE1-O 2.9Å; F26-L37 HydrophobicContact CB-CB 3.88Å; F26-L37 HydrophobicContact CB-CG 4.34Å; F26-L37 HydrophobicContact CD1-CB 4.43Å; F26-L37 HydrophobicContact CD1-CD1 4.45Å; F26-L37 HydrophobicContact CD1-CG 4.03Å; F26-L37 HydrophobicContact CD2-CB 4.26Å; F26-L37 HydrophobicContact CD2-CD1 3.52Å; F26-L37 HydrophobicContact CD2-CG 3.93Å; F26-L37 HydrophobicContact CE1-CG 4.31Å; F26-L37 HydrophobicContact CE2-CD1 3.56Å; F26-L37 HydrophobicContact CE2-CG 4.18Å; F26-L37 HydrophobicContact CG-CB 3.94Å; F26-L37 HydrophobicContact CG-CD1 3.97Å; F26-L37 HydrophobicContact CG-CG 3.83Å; F26-L37 HydrophobicContact CZ-CD1 4.09Å; F26-L37 HydrophobicContact CZ-CG 4.38Å
27H92.9Very high89.4Confident90 Ų9074.6 Ų74.642%0.41736%0.362SS..  trans-107.5127.9176-65.6-87.4000110.2G18 E23 V25 F29G18-H27 WeakPolarHBondContact CA-O 3.32Å; G18-H27 PolarHBondContact O-N 3.5Å; E23-H27 IonicContact OE1-CD2 3.57Å; E23-H27 IonicContact OE1-NE2 3.02Å; E23-H27 IonicContact OE2-CD2 3.31Å; E23-H27 PolarHBondContact OE2-CD2 3.49Å; E23-H27 IonicContact OE2-CG 3.43Å; E23-H27 IonicContact OE2-NE2 2.6Å; V25-H27 PolarHBondContact O-CD2 3.27Å; V25-H27 VanDerWaalsContact O-CD2 3.23Å; H27-F29 PolarHBondContact O-N 3.08Å; H27-F29 VanDerWaalsContact O-N 3.16Å
28R94.4Very high89.3Confident108 Ų10873.3 Ų73.341%0.40837%0.368SS..  trans-69.6112.6177.1-175.617558.7-178.6-8.8110.6D30 M33 P34 D35R28-D30 WeakPolarHBondContact CD-O 3.44Å; R28-D30 WeakPolarHBondContact CG-O 3.26Å; R28-M33 WeakPolarHBondContact CD-O 3.47Å; R28-M33 HydrophobicContact CG-CB 4.18Å; R28-P34 WeakPolarHBondContact CB-O 3.44Å; R28-D35 IonicContact CZ-OD1 3.77Å; R28-D35 IonicContact NE-OD1 3.49Å; R28-D35 IonicContact NH2-OD1 2.63Å; R28-D35 PolarHBondContact NH2-OD1 3.16Å
29F92.6Very high89.2Confident65 Ų6578.3 Ų78.329%0.28539%0.392SS..  trans-94.2-18.2178.961.3-91000114Y11 F14 R17 F26 H27 M33Y11-F29 HydrophobicContact CD1-CE2 4.32Å; Y11-F29 AromaticContact CD2-CE2 3.66Å; Y11-F29 HydrophobicContact CD2-CE2 3.66Å; Y11-F29 AromaticContact CD2-CZ 3.95Å; Y11-F29 HydrophobicContact CD2-CZ 3.95Å; Y11-F29 HydrophobicContact CE1-CE2 4.48Å; Y11-F29 AromaticContact CE2-CE2 3.84Å; Y11-F29 HydrophobicContact CE2-CE2 3.84Å; Y11-F29 AromaticContact CG-CE2 3.93Å; Y11-F29 HydrophobicContact CG-CE2 3.93Å; Y11-F29 HydrophobicContact CG-CZ 4.16Å; F14-F29 HydrophobicContact CB-CE1 4.28Å; F14-F29 HydrophobicContact CB-CZ 3.97Å; F14-F29 WeakPolarHBondContact O-CE1 3.32Å; R17-F29 HydrophobicContact CB-CD1 3.62Å; R17-F29 HydrophobicContact CB-CD2 4.09Å; R17-F29 HydrophobicContact CB-CE1 3.48Å; R17-F29 VanDerWaalsContact CB-CE1 3.48Å; R17-F29 HydrophobicContact CB-CE2 3.95Å; R17-F29 HydrophobicContact CB-CG 3.92Å; R17-F29 HydrophobicContact CB-CZ 3.64Å; R17-F29 HydrophobicContact CG-CE2 4.4Å; R17-F29 HydrophobicContact CG-CZ 4.34Å; F26-F29 HydrophobicContact CZ-CE1 4.2Å; H27-F29 PolarHBondContact O-N 3.08Å; H27-F29 VanDerWaalsContact O-N 3.16Å; F29-M33 HydrophobicContact CD1-CG 4.48Å; F29-M33 HydrophobicContact CD2-CG 4.49Å; F29-M33 HydrophobicContact CE1-CB 4.43Å; F29-M33 HydrophobicContact CE1-CG 3.82Å; F29-M33 HydrophobicContact CE1-SD 4.37Å; F29-M33 HydrophobicContact CE2-CG 3.84Å; F29-M33 HydrophobicContact CZ-CG 3.47Å; F29-M33 VanDerWaalsContact CZ-CG 3.47Å; F29-M33 HydrophobicContact CZ-SD 3.85Å
30D92.6Very high89.2Confident51 Ų5178.8 Ų78.827%0.27339%0.393SS..SBendtrans-139.2145.5177.9-178.8-90.4000110.2Y11 R28 N32 M33Y11-D30 HydrophobicContact CE2-CB 3.89Å; R28-D30 WeakPolarHBondContact CD-O 3.44Å; R28-D30 WeakPolarHBondContact CG-O 3.26Å; D30-N32 PolarHBondContact O-N 2.91Å; D30-N32 VanDerWaalsContact O-N 3.17Å; D30-N32 WeakPolarHBondContact OD1-CA 3.24Å; D30-N32 WeakPolarHBondContact OD1-CB 3.46Å; D30-N32 PolarHBondContact OD1-N 3.46Å; D30-M33 HydrophobicContact CB-CG 4.04Å; D30-M33 WeakPolarHBondContact O-CB 3.21Å; D30-M33 PolarHBondContact O-N 3.29Å
31L93.9Very high89.7Confident138 Ų13876 Ų7672%0.72338%0.381SS*.THydrogen-bonded Turntrans-64.7-19.3-177.8-75.3-179.7000113.5M33 N59L31-M33 VanDerWaalsContact C-N 3.31Å; L31-N59 PolarHBondContact O-ND2 2.85Å
32N95.4Very high90.7Very high26 Ų2677 Ų7714%0.13939%0.385CS..THydrogen-bonded Turntrans-82.1-8.9173-158.518.8000112.8E5 D30 S58 N59 M60E5-N32 PolarHBondContact OE1-ND2 2.78Å; D30-N32 PolarHBondContact O-N 2.91Å; D30-N32 VanDerWaalsContact O-N 3.17Å; D30-N32 WeakPolarHBondContact OD1-CA 3.24Å; D30-N32 WeakPolarHBondContact OD1-CB 3.46Å; D30-N32 PolarHBondContact OD1-N 3.46Å; N32-S58 CarbonylContact O-C 3.46Å; N32-S58 WeakPolarHBondContact O-CA 3.45Å; N32-S58 VanDerWaalsContact O-CB 3.31Å; N32-S58 WeakPolarHBondContact O-CB 3.32Å; N32-S58 WeakPolarHBondContact OD1-CB 3.49Å; N32-S58 PolarHBondContact OD1-OG 3.17Å; N32-N59 PolarHBondContact O-N 3.34Å; N32-N59 PolarHBondContact OD1-N 2.92Å; N32-M60 VanDerWaalsContact OD1-CB 3.29Å; N32-M60 WeakPolarHBondContact OD1-CB 3.37Å; N32-M60 WeakPolarHBondContact OD1-CG 3.41Å; N32-M60 PolarHBondContact OD1-N 3.48Å
33M96.4Very high91.8Very high0 Ų076.6 Ų76.60%038%0.379CS..SBendtrans-90.6155.4177.8-63.1-66.8105.900112.5C7 V10 Y11 F14 R28 F29 D30 L31 N59C7-M33 HydrophobicContact CB-CE 4.22Å; C7-M33 HydrophobicContact CB-SD 4Å; V10-M33 HydrophobicContact CB-CE 3.91Å; V10-M33 HydrophobicContact CG1-CE 4.03Å; V10-M33 HydrophobicContact CG2-CE 4.43Å; Y11-M33 HydrophobicContact CD2-CE 3.64Å; Y11-M33 HydrophobicContact CD2-CG 4.23Å; Y11-M33 HydrophobicContact CD2-SD 3.9Å; Y11-M33 HydrophobicContact CE2-CE 4.12Å; Y11-M33 HydrophobicContact CE2-CG 4.46Å; F14-M33 HydrophobicContact CB-SD 3.92Å; R28-M33 WeakPolarHBondContact CD-O 3.47Å; R28-M33 HydrophobicContact CG-CB 4.18Å; F29-M33 HydrophobicContact CD1-CG 4.48Å; F29-M33 HydrophobicContact CD2-CG 4.49Å; F29-M33 HydrophobicContact CE1-CB 4.43Å; F29-M33 HydrophobicContact CE1-CG 3.82Å; F29-M33 HydrophobicContact CE1-SD 4.37Å; F29-M33 HydrophobicContact CE2-CG 3.84Å; F29-M33 HydrophobicContact CZ-CG 3.47Å; F29-M33 VanDerWaalsContact CZ-CG 3.47Å; F29-M33 HydrophobicContact CZ-SD 3.85Å; D30-M33 HydrophobicContact CB-CG 4.04Å; D30-M33 WeakPolarHBondContact O-CB 3.21Å; D30-M33 PolarHBondContact O-N 3.29Å; L31-M33 VanDerWaalsContact C-N 3.31Å; M33-N59 PolarHBondContact O-ND2 2.95Å
34P96.4Very high92.3Very high13 Ų1375.7 Ų75.78%0.08438%0.376CS..  trans-56.9146.5175-25.436000111.7C7 F26 R28 K36 L37 P56C7-P34 VanDerWaalsContact SG-CD 3.51Å; F26-P34 WeakPolarHBondContact CE1-O 2.9Å; R28-P34 WeakPolarHBondContact CB-O 3.44Å; P34-K36 VanDerWaalsContact C-N 3.27Å; P34-K36 PolarHBondContact O-N 3.16Å; P34-L37 HydrophobicContact CB-CD2 3.98Å; P34-L37 HydrophobicContact CG-CD2 4.01Å; P34-P56 HydrophobicContact CG-CG 4.22Å
35D93.8Very high92.6Very high104 Ų10479.4 Ų79.456%0.55638%0.38SS*.SBendtrans-65.8-34.2176.4-17056.1000112.2R28R28-D35 IonicContact CZ-OD1 3.77Å; R28-D35 IonicContact NE-OD1 3.49Å; R28-D35 IonicContact NH2-OD1 2.63Å; R28-D35 PolarHBondContact NH2-OD1 3.16Å
36K92Very high92.7Very high157 Ų15776.3 Ų76.368%0.68336%0.364SS*.  trans-149.9149.2178.262-173.5178.3-176.90110.3P34P34-K36 VanDerWaalsContact C-N 3.27Å; P34-K36 PolarHBondContact O-N 3.16Å
37L93.3Very high92.7Very high13 Ų1376 Ų767%0.06836%0.363CS..  trans-116.9111166.1-67.7-177.1000108.7F14 I15 F26 P34 W51 P56F14-L37 HydrophobicContact CD2-CD1 4.5Å; F14-L37 HydrophobicContact CE2-CD1 3.93Å; I15-L37 HydrophobicContact CD1-CD1 3.76Å; F26-L37 HydrophobicContact CB-CB 3.88Å; F26-L37 HydrophobicContact CB-CG 4.34Å; F26-L37 HydrophobicContact CD1-CB 4.43Å; F26-L37 HydrophobicContact CD1-CD1 4.45Å; F26-L37 HydrophobicContact CD1-CG 4.03Å; F26-L37 HydrophobicContact CD2-CB 4.26Å; F26-L37 HydrophobicContact CD2-CD1 3.52Å; F26-L37 HydrophobicContact CD2-CG 3.93Å; F26-L37 HydrophobicContact CE1-CG 4.31Å; F26-L37 HydrophobicContact CE2-CD1 3.56Å; F26-L37 HydrophobicContact CE2-CG 4.18Å; F26-L37 HydrophobicContact CG-CB 3.94Å; F26-L37 HydrophobicContact CG-CD1 3.97Å; F26-L37 HydrophobicContact CG-CG 3.83Å; F26-L37 HydrophobicContact CZ-CD1 4.09Å; F26-L37 HydrophobicContact CZ-CG 4.38Å; P34-L37 HydrophobicContact CB-CD2 3.98Å; P34-L37 HydrophobicContact CG-CD2 4.01Å; L37-W51 HydrophobicContact CB-CD2 4.43Å; L37-W51 HydrophobicContact CB-CZ2 4.29Å; L37-W51 HydrophobicContact CD1-CB 4.41Å; L37-W51 HydrophobicContact CD1-CD2 4.23Å; L37-W51 HydrophobicContact CD1-CG 4.08Å; L37-W51 HydrophobicContact CD2-CD2 4.19Å; L37-W51 HydrophobicContact CD2-CE3 4.25Å; L37-W51 HydrophobicContact CD2-CH2 4.28Å; L37-W51 HydrophobicContact CD2-CZ2 4.21Å; L37-W51 HydrophobicContact CD2-CZ3 4.3Å; L37-P56 HydrophobicContact CD2-CG 3.94Å
38P90Very high92.7Very high85 Ų8574 Ų7455%0.55235%0.353SS*.  trans-65.3148.7177.926-32.1000110.5R40 W51P38-R40 PolarHBondContact O-N 2.97Å; P38-W51 HydrophobicContact CG-CZ2 3.97Å; P38-W51 WeakPolarHBondContact O-CZ2 3.21Å; P38-W51 PolarHBondContact O-NE1 3.3Å
39Q90.8Very high92.7Very high105 Ų10572.3 Ų72.349%0.49135%0.351SS..  trans-66.3125.4175.5-177.7167.5-18.900109.9H41 E42Q39-H41 WeakPolarHBondContact CG-O 3.43Å; Q39-H41 PolarHBondContact NE2-O 3.42Å; Q39-E42 PolarHBondContact NE2-O 2.92Å
40R90.7Very high92.8Very high23 Ų2369.9 Ų69.99%0.08734%0.341CS..  trans-94.7-18.5-176.5-65.8173.363.7164.82.4113P38 S47 D50 W51 D54 R132 L134P38-R40 PolarHBondContact O-N 2.97Å; R40-S47 PolarHBondContact N-OG 3.21Å; R40-D50 HydrophobicContact CB-CB 4.42Å; R40-D50 PolarHBondContact NH1-O 2.77Å; R40-W51 VanDerWaalsContact CD-CD2 3.45Å; R40-W51 HydrophobicContact CG-CD2 4.35Å; R40-W51 HydrophobicContact CG-CH2 4.43Å; R40-W51 HydrophobicContact CG-CZ2 3.69Å; R40-W51 VanDerWaalsContact NH1-CE3 3.3Å; R40-D54 PolarHBondContact NH1-O 2.87Å; R40-D54 IonicContact NH2-OD2 3.43Å; R40-D54 PolarHBondContact NH2-OD2 2.93Å; R40-R132 PolarHBondContact NH2-O 3.47Å; R40-R132 PolarHBondContact O-NH1 2.92Å; R40-R132 PolarHBondContact O-NH2 2.86Å; R40-L134 HydrophobicContact CG-CD2 4.1Å
41H90.1Very high93Very high65 Ų6567.9 Ų67.930%0.30133%0.329SS..SBendtrans-138.2147.5-171.6-166.2-90.3000109.5Q39 Q43 A46Q39-H41 WeakPolarHBondContact CG-O 3.43Å; Q39-H41 PolarHBondContact NE2-O 3.42Å; H41-Q43 PolarHBondContact ND1-N 2.82Å; H41-Q43 PolarHBondContact O-N 2.88Å; H41-A46 HydrophobicContact CB-CB 3.98Å; H41-A46 WeakPolarHBondContact ND1-CB 3.26Å
42E89.3Confident93Very high187 Ų18764.8 Ų64.887%0.87431%0.311SS*.SBendtrans-55.4-38.6178-63.5179.5176.800112.5Q39Q39-E42 PolarHBondContact NE2-O 2.92Å
43Q92.8Very high93Very high130 Ų13066.8 Ų66.861%0.60733%0.325SS*.SBendtrans-87124.6172.3-57179.16.100111.6H41 Y45 A46 S47H41-Q43 PolarHBondContact ND1-N 2.82Å; H41-Q43 PolarHBondContact O-N 2.88Å; Q43-Y45 VanDerWaalsContact C-N 3.35Å; Q43-Y45 PolarHBondContact O-N 3.23Å; Q43-A46 HydrophobicContact CB-CB 4.28Å; Q43-A46 PolarHBondContact O-N 2.87Å; Q43-S47 PolarHBondContact O-N 2.87Å; Q43-S47 VanDerWaalsContact O-N 3.07Å
44L90.4Very high93Very high45 Ų4566.8 Ų66.824%0.23633%0.325CS..Hα-helixtrans-56-44.1-179.917764000113.1Y19 T24 A46 S47 K48Y19-L44 HydrophobicContact CE1-CD1 4.02Å; T24-L44 HydrophobicContact CG2-CD2 4.07Å; L44-A46 PolarHBondContact O-N 3.32Å; L44-S47 WeakPolarHBondContact O-CB 3.5Å; L44-S47 PolarHBondContact O-N 2.96Å; L44-S47 VanDerWaalsContact O-N 3.17Å; L44-K48 WeakPolarHBondContact O-CG 3.32Å; L44-K48 PolarHBondContact O-N 3.39Å
45Y91.5Very high93.1Very high173 Ų17366.3 Ų66.368%0.67832%0.321SS*.Hα-helixtrans-62.3-44.6-178.6179.3-104.9000112.3Q43 S47 K48 I49Q43-Y45 VanDerWaalsContact C-N 3.35Å; Q43-Y45 PolarHBondContact O-N 3.23Å; Y45-S47 VanDerWaalsContact C-N 3.32Å; Y45-S47 PolarHBondContact O-N 3.28Å; Y45-K48 WeakPolarHBondContact O-CB 3.22Å; Y45-K48 PolarHBondContact O-N 3.25Å; Y45-I49 HydrophobicContact CD1-CD1 3.83Å; Y45-I49 HydrophobicContact CE1-CD1 3.31Å; Y45-I49 HydrophobicContact CE1-CG1 4.32Å; Y45-I49 PolarHBondContact O-N 3.2Å; Y45-I49 VanDerWaalsContact O-N 3.1Å
46A93.6Very high93.3Very high19 Ų1961.4 Ų61.416%0.15730%0.295CS..Hα-helixtrans-60.8-43.4173.600000110.9H41 Q43 L44 K48 I49 D50H41-A46 HydrophobicContact CB-CB 3.98Å; H41-A46 WeakPolarHBondContact ND1-CB 3.26Å; Q43-A46 HydrophobicContact CB-CB 4.28Å; Q43-A46 PolarHBondContact O-N 2.87Å; L44-A46 PolarHBondContact O-N 3.32Å; A46-K48 VanDerWaalsContact C-N 3.27Å; A46-K48 PolarHBondContact O-N 3.18Å; A46-I49 CarbonylContact O-C 3.52Å; A46-I49 WeakPolarHBondContact O-CA 3.44Å; A46-I49 WeakPolarHBondContact O-CB 3.19Å; A46-I49 PolarHBondContact O-N 2.64Å; A46-D50 VanDerWaalsContact C-OD2 3.29Å; A46-D50 VanDerWaalsContact O-CG 3.23Å; A46-D50 PolarHBondContact O-N 2.95Å
47S93.2Very high93.6Very high0 Ų053.9 Ų53.90%026%0.263CS..Hα-helixtrans-58.7-36.8175.6-173.40000113.3R40 Q43 L44 Y45 D50 W51R40-S47 PolarHBondContact N-OG 3.21Å; Q43-S47 PolarHBondContact O-N 2.87Å; Q43-S47 VanDerWaalsContact O-N 3.07Å; L44-S47 WeakPolarHBondContact O-CB 3.5Å; L44-S47 PolarHBondContact O-N 2.96Å; L44-S47 VanDerWaalsContact O-N 3.17Å; Y45-S47 VanDerWaalsContact C-N 3.32Å; Y45-S47 PolarHBondContact O-N 3.28Å; S47-D50 WeakPolarHBondContact CA-OD2 3.46Å; S47-D50 PolarHBondContact O-N 3.27Å; S47-W51 PolarHBondContact O-N 3.34Å; S47-W51 VanDerWaalsContact O-N 3.14Å
48K93.8Very high93.7Very high47 Ų4753.3 Ų53.320%0.20426%0.26CS..Hα-helixtrans-64.8-43.3174.7-71.4-178.1-175.5-171.10110.8I15 Y19 L44 Y45 A46 W51 Q52I15-K48 HydrophobicContact CG2-CB 3.73Å; I15-K48 HydrophobicContact CG2-CD 4.31Å; I15-K48 HydrophobicContact CG2-CG 3.93Å; Y19-K48 VanDerWaalsContact CB-NZ 3.31Å; Y19-K48 HydrophobicContact CD2-CD 4.17Å; Y19-K48 HydrophobicContact CD2-CG 4.03Å; Y19-K48 HydrophobicContact CE2-CG 3.95Å; Y19-K48 HydrophobicContact CG-CD 4.25Å; Y19-K48 HydrophobicContact CG-CG 4.48Å; L44-K48 WeakPolarHBondContact O-CG 3.32Å; L44-K48 PolarHBondContact O-N 3.39Å; Y45-K48 WeakPolarHBondContact O-CB 3.22Å; Y45-K48 PolarHBondContact O-N 3.25Å; A46-K48 VanDerWaalsContact C-N 3.27Å; A46-K48 PolarHBondContact O-N 3.18Å; K48-W51 PolarHBondContact O-N 2.93Å; K48-Q52 PolarHBondContact O-N 3.43Å
49I93.9Very high94.1Very high73 Ų7351 Ų5137%0.37424%0.243SC..Hα-helixtrans-62-42.5174.3-67.3169.5000111.4Y45 A46 W51 Q52 T53Y45-I49 HydrophobicContact CD1-CD1 3.83Å; Y45-I49 HydrophobicContact CE1-CD1 3.31Å; Y45-I49 HydrophobicContact CE1-CG1 4.32Å; Y45-I49 PolarHBondContact O-N 3.2Å; Y45-I49 VanDerWaalsContact O-N 3.1Å; A46-I49 CarbonylContact O-C 3.52Å; A46-I49 WeakPolarHBondContact O-CA 3.44Å; A46-I49 WeakPolarHBondContact O-CB 3.19Å; A46-I49 PolarHBondContact O-N 2.64Å; I49-W51 VanDerWaalsContact C-N 3.32Å; I49-W51 PolarHBondContact O-N 3.31Å; I49-Q52 PolarHBondContact O-N 3.22Å; I49-Q52 VanDerWaalsContact O-N 3.15Å; I49-T53 HydrophobicContact CG2-CG2 4.07Å; I49-T53 WeakPolarHBondContact O-CB 3.36Å; I49-T53 WeakPolarHBondContact O-CG2 3.41Å; I49-T53 PolarHBondContact O-N 3.22Å; I49-T53 PolarHBondContact O-OG1 3.23Å
50D95.8Very high94.3Very high14 Ų1449.2 Ų49.28%0.07524%0.235CC..Hα-helixtrans-62.9-40.6179.8-61.4-61.1000111.5R40 A46 S47 T53 D54 R132R40-D50 HydrophobicContact CB-CB 4.42Å; R40-D50 PolarHBondContact NH1-O 2.77Å; A46-D50 VanDerWaalsContact C-OD2 3.29Å; A46-D50 VanDerWaalsContact O-CG 3.23Å; A46-D50 PolarHBondContact O-N 2.95Å; S47-D50 WeakPolarHBondContact CA-OD2 3.46Å; S47-D50 PolarHBondContact O-N 3.27Å; D50-T53 PolarHBondContact O-OG1 2.94Å; D50-D54 PolarHBondContact O-N 2.99Å; D50-R132 WeakPolarHBondContact OD1-CB 3.28Å; D50-R132 IonicContact OD1-CZ 2.71Å; D50-R132 IonicContact OD1-NE 3.74Å; D50-R132 PolarHBondContact OD1-NE 3.14Å; D50-R132 IonicContact OD1-NH2 3.82Å; D50-R132 IonicContact OD2-CZ 3.33Å; D50-R132 IonicContact OD2-NE 3.18Å; D50-R132 PolarHBondContact OD2-NE 2.88Å; D50-R132 IonicContact OD2-NH2 2.67Å; D50-R132 PolarHBondContact OD2-NH2 3.14Å
51W96.1Very high94.5Very high8 Ų848.1 Ų48.13%0.0323%0.231CC..Hα-helixtrans-68.7-33.7173.5-73.5123.4000113.3I15 L37 P38 R40 S47 K48 I49 D54 P55 P56 I88 L134I15-W51 HydrophobicContact CD1-CB 3.44Å; I15-W51 VanDerWaalsContact CD1-CB 3.44Å; I15-W51 HydrophobicContact CD1-CG 4.32Å; I15-W51 HydrophobicContact CG1-CB 4.28Å; L37-W51 HydrophobicContact CB-CD2 4.43Å; L37-W51 HydrophobicContact CB-CZ2 4.29Å; L37-W51 HydrophobicContact CD1-CB 4.41Å; L37-W51 HydrophobicContact CD1-CD2 4.23Å; L37-W51 HydrophobicContact CD1-CG 4.08Å; L37-W51 HydrophobicContact CD2-CD2 4.19Å; L37-W51 HydrophobicContact CD2-CE3 4.25Å; L37-W51 HydrophobicContact CD2-CH2 4.28Å; L37-W51 HydrophobicContact CD2-CZ2 4.21Å; L37-W51 HydrophobicContact CD2-CZ3 4.3Å; P38-W51 HydrophobicContact CG-CZ2 3.97Å; P38-W51 WeakPolarHBondContact O-CZ2 3.21Å; P38-W51 PolarHBondContact O-NE1 3.3Å; R40-W51 VanDerWaalsContact CD-CD2 3.45Å; R40-W51 HydrophobicContact CG-CD2 4.35Å; R40-W51 HydrophobicContact CG-CH2 4.43Å; R40-W51 HydrophobicContact CG-CZ2 3.69Å; R40-W51 VanDerWaalsContact NH1-CE3 3.3Å; S47-W51 PolarHBondContact O-N 3.34Å; S47-W51 VanDerWaalsContact O-N 3.14Å; K48-W51 PolarHBondContact O-N 2.93Å; I49-W51 VanDerWaalsContact C-N 3.32Å; I49-W51 PolarHBondContact O-N 3.31Å; W51-D54 CarbonylContact O-C 3.59Å; W51-P55 WeakPolarHBondContact O-CA 3.41Å; W51-P56 HydrophobicContact CE3-CG 4.13Å; W51-P56 HydrophobicContact CZ3-CB 4.15Å; W51-P56 HydrophobicContact CZ3-CG 4.15Å; W51-I88 HydrophobicContact CZ3-CG1 4.39Å; W51-I88 HydrophobicContact CZ3-CG2 4.29Å; W51-L134 HydrophobicContact CH2-CD1 4.27Å
52Q94.6Very high94.9Very high73 Ų7346.4 Ų46.434%0.34122%0.223SC..Hα-helixtrans-69.1-38.6175.4-169.368.93800112.2S12 I15 K48 I49S12-Q52 PolarHBondContact O-NE2 3.39Å; I15-Q52 HydrophobicContact CG1-CB 4.37Å; K48-Q52 PolarHBondContact O-N 3.43Å; I49-Q52 PolarHBondContact O-N 3.22Å; I49-Q52 VanDerWaalsContact O-N 3.15Å
53T94.4Very high95.2Very high68 Ų6843.9 Ų43.942%0.41721%0.209SC..Hα-helixtrans-86.5-26.2-175.553.70000113.5I49 D50 P55 P131I49-T53 HydrophobicContact CG2-CG2 4.07Å; I49-T53 WeakPolarHBondContact O-CB 3.36Å; I49-T53 WeakPolarHBondContact O-CG2 3.41Å; I49-T53 PolarHBondContact O-N 3.22Å; I49-T53 PolarHBondContact O-OG1 3.23Å; D50-T53 PolarHBondContact O-OG1 2.94Å; T53-P55 VanDerWaalsContact C-CD 3.48Å; T53-P131 WeakPolarHBondContact O-CG 3.43Å
54D96.7Very high95.4Very high0 Ų038 Ų380%018%0.182CC..SBendtrans-124.875.6169.7-171.932.2000109.6R40 D50 W51 S87 I88 R89 P131R40-D54 PolarHBondContact NH1-O 2.87Å; R40-D54 IonicContact NH2-OD2 3.43Å; R40-D54 PolarHBondContact NH2-OD2 2.93Å; D50-D54 PolarHBondContact O-N 2.99Å; W51-D54 CarbonylContact O-C 3.59Å; D54-S87 VanDerWaalsContact OD1-CA 3.27Å; D54-S87 WeakPolarHBondContact OD1-CA 3.33Å; D54-S87 VanDerWaalsContact OD1-CB 3.3Å; D54-S87 WeakPolarHBondContact OD1-CB 3.08Å; D54-I88 WeakPolarHBondContact O-CG2 3.48Å; D54-I88 PolarHBondContact OD1-N 3.45Å; D54-I88 VanDerWaalsContact OD1-N 3.13Å; D54-I88 PolarHBondContact OD2-N 3.26Å; D54-R89 IonicContact OD1-NH1 3.58Å; D54-R89 PolarHBondContact OD1-NH1 2.61Å; D54-P131 HydrophobicContact CB-CB 3.75Å; D54-P131 HydrophobicContact CB-CG 4.47Å
55P97.6Very high95.7Very high3 Ų335.8 Ų35.82%0.01917%0.171CC..PPolyproline II helixtrans-69.5141.9-174.127-35.2000111.7D8 F14 W51 T53 I88D8-P55 HydrophobicContact CB-CB 4.05Å; D8-P55 HydrophobicContact CB-CG 4.28Å; D8-P55 VanDerWaalsContact CG-CG 3.47Å; D8-P55 WeakPolarHBondContact OD1-CB 3.4Å; D8-P55 WeakPolarHBondContact OD1-CG 3.46Å; F14-P55 HydrophobicContact CE1-CB 4.31Å; F14-P55 HydrophobicContact CZ-CB 4.21Å; W51-P55 WeakPolarHBondContact O-CA 3.41Å; T53-P55 VanDerWaalsContact C-CD 3.48Å; P55-I88 WeakPolarHBondContact O-CG2 3.22Å
56P98Very high96.1Very high1 Ų128.4 Ų28.41%0.00615%0.145CC..PPolyproline II helixtrans-78.2170.1175.332.8-30.5000111.8C7 P34 L37 W51 I88C7-P56 PolarHBondContact N-O 3.32Å; C7-P56 PolarHBondContact SG-O 2.93Å; P34-P56 HydrophobicContact CG-CG 4.22Å; L37-P56 HydrophobicContact CD2-CG 3.94Å; W51-P56 HydrophobicContact CE3-CG 4.13Å; W51-P56 HydrophobicContact CZ3-CB 4.15Å; W51-P56 HydrophobicContact CZ3-CG 4.15Å; P56-I88 HydrophobicContact CB-CG2 4.34Å
57L98.2Very high96.2Very high0 Ų029.7 Ų29.70%016%0.156CC..BIsolated β-bridgetrans-63.2146.5167-65.5-176.6000111.1G4 E5 C7 R89 Q92G4-L57 WeakPolarHBondContact O-CD2 3.36Å; E5-L57 VanDerWaalsContact O-CA 3.26Å; E5-L57 WeakPolarHBondContact O-CA 3.24Å; E5-L57 VanDerWaalsContact O-CD2 3.23Å; E5-L57 WeakPolarHBondContact O-CD2 3.47Å; C7-L57 VanDerWaalsContact SG-C 3.55Å; C7-L57 PolarHBondContact SG-O 3.43Å; L57-R89 HydrophobicContact CD2-CB 4.01Å; L57-R89 HydrophobicContact CG-CB 4.47Å; L57-Q92 HydrophobicContact CD1-CB 3.66Å; L57-Q92 HydrophobicContact CG-CB 3.91Å
58S97Very high96.4Very high0 Ų030 Ų300%016%0.158CC..PPolyproline II helixtrans-69.1169.3161.772.10000110.5E5 N32 M60 G61 H62E5-S58 WeakPolarHBondContact CG-OG 3.42Å; E5-S58 PolarHBondContact O-N 3.28Å; E5-S58 VanDerWaalsContact OE1-CB 3.28Å; E5-S58 WeakPolarHBondContact OE1-CB 3.38Å; E5-S58 PolarHBondContact OE1-OG 2.79Å; N32-S58 CarbonylContact O-C 3.46Å; N32-S58 WeakPolarHBondContact O-CA 3.45Å; N32-S58 VanDerWaalsContact O-CB 3.31Å; N32-S58 WeakPolarHBondContact O-CB 3.32Å; N32-S58 WeakPolarHBondContact OD1-CB 3.49Å; N32-S58 PolarHBondContact OD1-OG 3.17Å; S58-M60 PolarHBondContact O-N 3.27Å; S58-M60 PolarHBondContact OG-N 2.94Å; S58-G61 PolarHBondContact O-N 2.97Å; S58-G61 VanDerWaalsContact O-N 3.16Å; S58-G61 PolarHBondContact OG-N 3.2Å; S58-H62 PolarHBondContact O-CD2 3.25Å; S58-H62 VanDerWaalsContact O-CD2 3.24Å; S58-H62 PolarHBondContact O-N 3.26Å
59N97Very high96.6Very high38 Ų3827.8 Ų27.820%0.20315%0.148CC..Hα-helixtrans-63.7-32.6173.8-74.5-32.5000111.7L31 N32 M33 H62 K63L31-N59 PolarHBondContact O-ND2 2.85Å; N32-N59 PolarHBondContact O-N 3.34Å; N32-N59 PolarHBondContact OD1-N 2.92Å; M33-N59 PolarHBondContact O-ND2 2.95Å; N59-H62 PolarHBondContact O-N 3.37Å; N59-K63 VanDerWaalsContact O-CG 3.27Å; N59-K63 WeakPolarHBondContact O-CG 3.44Å; N59-K63 PolarHBondContact O-N 2.94Å
60M95.1Very high96.8Very high67 Ų6725.6 Ų25.633%0.3314%0.141SC..Hα-helixtrans-68-41.8171.3-73.7-56.1-64.900111.6N32 S58 H62 K63 T64N32-M60 VanDerWaalsContact OD1-CB 3.29Å; N32-M60 WeakPolarHBondContact OD1-CB 3.37Å; N32-M60 WeakPolarHBondContact OD1-CG 3.41Å; N32-M60 PolarHBondContact OD1-N 3.48Å; S58-M60 PolarHBondContact O-N 3.27Å; S58-M60 PolarHBondContact OG-N 2.94Å; M60-H62 VanDerWaalsContact C-N 3.29Å; M60-H62 PolarHBondContact O-N 3.48Å; M60-K63 PolarHBondContact O-N 3.33Å; M60-K63 HydrophobicContact SD-CD 4.18Å; M60-T64 HydrophobicContact CE-CG2 4.38Å; M60-T64 WeakPolarHBondContact O-CB 3.47Å; M60-T64 VanDerWaalsContact O-CG2 3.32Å; M60-T64 WeakPolarHBondContact O-CG2 3.12Å; M60-T64 PolarHBondContact O-N 3.42Å; M60-T64 PolarHBondContact O-OG1 3.39Å
61G96.3Very high96.9Very high0 Ų028.7 Ų28.70%016%0.155CC..Hα-helixtrans-57.3-42.2172.700000112.2S58 T64 A65S58-G61 PolarHBondContact O-N 2.97Å; S58-G61 VanDerWaalsContact O-N 3.16Å; S58-G61 PolarHBondContact OG-N 3.2Å; G61-T64 PolarHBondContact O-OG1 3.31Å; G61-A65 VanDerWaalsContact O-CB 3.25Å; G61-A65 WeakPolarHBondContact O-CB 3.33Å; G61-A65 PolarHBondContact O-N 2.95Å; G61-A65 VanDerWaalsContact O-N 3.11Å
62H97.8Very high96.9Very high28 Ų2828.9 Ų28.913%0.1316%0.156CC..Hα-helixtrans-62.8-49173.8-82.9-66.4000113.1S58 N59 M60 A66 R96S58-H62 PolarHBondContact O-CD2 3.25Å; S58-H62 VanDerWaalsContact O-CD2 3.24Å; S58-H62 PolarHBondContact O-N 3.26Å; N59-H62 PolarHBondContact O-N 3.37Å; M60-H62 VanDerWaalsContact C-N 3.29Å; M60-H62 PolarHBondContact O-N 3.48Å; H62-A66 PolarHBondContact O-N 3.41Å; H62-R96 HydrophobicContact CB-CG 4.18Å; H62-R96 WeakPolarHBondContact ND1-CD 3.33Å; H62-R96 WeakPolarHBondContact ND1-CG 3.41Å
63K96.5Very high97Very high135 Ų13525.9 Ų25.959%0.58714%0.143SC*.Hα-helixtrans-64.6-44.7-177.7-74.2169.5-176.7175.40111.9N59 M60 A66 A67N59-K63 VanDerWaalsContact O-CG 3.27Å; N59-K63 WeakPolarHBondContact O-CG 3.44Å; N59-K63 PolarHBondContact O-N 2.94Å; M60-K63 PolarHBondContact O-N 3.33Å; M60-K63 HydrophobicContact SD-CD 4.18Å; K63-A66 PolarHBondContact O-N 2.76Å; K63-A67 PolarHBondContact O-N 2.85Å
64T95.9Very high97.2Very high5 Ų530.5 Ų30.53%0.03115%0.154CC..Hα-helixtrans-69.7-38.5-17854.20000111.7M60 G61 A66 A67 V68 F248 Y250M60-T64 HydrophobicContact CE-CG2 4.38Å; M60-T64 WeakPolarHBondContact O-CB 3.47Å; M60-T64 VanDerWaalsContact O-CG2 3.32Å; M60-T64 WeakPolarHBondContact O-CG2 3.12Å; M60-T64 PolarHBondContact O-N 3.42Å; M60-T64 PolarHBondContact O-OG1 3.39Å; G61-T64 PolarHBondContact O-OG1 3.31Å; T64-A66 VanDerWaalsContact C-N 3.33Å; T64-A66 PolarHBondContact O-N 2.82Å; T64-A67 PolarHBondContact O-N 2.74Å; T64-V68 WeakPolarHBondContact O-CG2 3.5Å; T64-V68 PolarHBondContact O-N 3.11Å; T64-F248 HydrophobicContact CG2-CD1 4.09Å; T64-F248 HydrophobicContact CG2-CE1 3.82Å; T64-Y250 HydrophobicContact CG2-CD1 4.48Å; T64-Y250 HydrophobicContact CG2-CE1 3.75Å
65A97.6Very high97.2Very high0 Ų034.3 Ų34.30%017%0.174CC..Hα-helixtrans-59.9-42172.500000112.4G61 G69 T93 R96 F97 L225G61-A65 VanDerWaalsContact O-CB 3.25Å; G61-A65 WeakPolarHBondContact O-CB 3.33Å; G61-A65 PolarHBondContact O-N 2.95Å; G61-A65 VanDerWaalsContact O-N 3.11Å; A65-G69 PolarHBondContact O-N 2.94Å; A65-T93 HydrophobicContact CB-CG2 3.94Å; A65-R96 HydrophobicContact CB-CB 3.79Å; A65-F97 WeakPolarHBondContact O-CA 3.36Å; A65-L225 HydrophobicContact CB-CD2 4.18Å
66A98Very high97.1Very high17 Ų1743.3 Ų43.314%0.1421%0.213CC..Hα-helixtrans-67.6-38.6174.600000112.8H62 K63 T64 G69 A70 R96 G100H62-A66 PolarHBondContact O-N 3.41Å; K63-A66 PolarHBondContact O-N 2.76Å; T64-A66 VanDerWaalsContact C-N 3.33Å; T64-A66 PolarHBondContact O-N 2.82Å; A66-G69 PolarHBondContact O-N 3.12Å; A66-A70 PolarHBondContact O-N 2.78Å; A66-R96 VanDerWaalsContact CA-O 3.26Å; A66-R96 WeakPolarHBondContact CA-O 3.49Å; A66-R96 HydrophobicContact CB-CB 4.23Å; A66-G100 WeakPolarHBondContact O-CA 3.41Å
67A96.9Very high96.9Very high47 Ų4744.2 Ų44.239%0.38822%0.221SC..Hα-helixtrans-61.3-43.7176.100000111.7K63 T64 G69 A70 E71K63-A67 PolarHBondContact O-N 2.85Å; T64-A67 PolarHBondContact O-N 2.74Å; A67-G69 VanDerWaalsContact C-N 3.34Å; A67-G69 PolarHBondContact O-N 3.09Å; A67-A70 PolarHBondContact O-N 2.79Å; A67-E71 WeakPolarHBondContact O-CB 3.43Å; A67-E71 PolarHBondContact O-N 2.87Å
68V97.2Very high96.8Very high7 Ų747.1 Ų47.14%0.04224%0.236CC..Hα-helixtrans-60-44.7174.9173.60000111M1 T64 A70 E71 F72 F97 L225 V245M1-V68 HydrophobicContact SD-CG1 4.14Å; T64-V68 WeakPolarHBondContact O-CG2 3.5Å; T64-V68 PolarHBondContact O-N 3.11Å; V68-A70 PolarHBondContact O-N 3.31Å; V68-E71 PolarHBondContact O-N 3.23Å; V68-F72 HydrophobicContact CG1-CD2 3.91Å; V68-F72 HydrophobicContact CG1-CE2 3.83Å; V68-F72 WeakPolarHBondContact O-CD2 3.37Å; V68-F72 PolarHBondContact O-N 3.16Å; V68-F97 HydrophobicContact CG1-CD2 4.08Å; V68-F97 HydrophobicContact CG1-CE2 4.02Å; V68-L225 HydrophobicContact CG2-CB 4.36Å; V68-L225 HydrophobicContact CG2-CD1 3.87Å; V68-V245 HydrophobicContact CG1-CB 4.36Å; V68-V245 HydrophobicContact CG1-CG1 4.33Å; V68-V245 HydrophobicContact CG2-CG1 4.42Å
69G97.8Very high96.8Very high0 Ų047.2 Ų47.20%024%0.237CC..Hα-helixtrans-59.3-45.9175.500000113.2A65 A66 A67 E71 F72 A73 F97 F101A65-G69 PolarHBondContact O-N 2.94Å; A66-G69 PolarHBondContact O-N 3.12Å; A67-G69 VanDerWaalsContact C-N 3.34Å; A67-G69 PolarHBondContact O-N 3.09Å; G69-E71 VanDerWaalsContact C-N 3.31Å; G69-E71 PolarHBondContact O-N 3.2Å; G69-F72 PolarHBondContact O-N 3.32Å; G69-A73 PolarHBondContact O-N 2.98Å; G69-F97 VanDerWaalsContact CA-CD2 3.49Å; G69-F97 WeakPolarHBondContact CA-O 3.39Å; G69-F101 WeakPolarHBondContact O-CA 3.34Å; G69-F101 WeakPolarHBondContact O-CD2 3.34Å
70A97.8Very high96.8Very high26 Ų2647.4 Ų47.422%0.21524%0.238CC..Hα-helixtrans-61.6-39.6177.400000112.2A66 A67 V68 A73 Y74 G100 V104A66-A70 PolarHBondContact O-N 2.78Å; A67-A70 PolarHBondContact O-N 2.79Å; V68-A70 PolarHBondContact O-N 3.31Å; A70-A73 PolarHBondContact O-N 3.26Å; A70-Y74 PolarHBondContact O-N 3.41Å; A70-G100 WeakPolarHBondContact CA-O 3.4Å; A70-V104 HydrophobicContact CB-CG2 3.88Å
71E97.5Very high97Very high80 Ų8046.9 Ų46.937%0.37423%0.233SC..Hα-helixtrans-69.5-40.4178.9-172.464.2-166.700112.1A67 V68 G69 A73 Y74 L75 V245A67-E71 WeakPolarHBondContact O-CB 3.43Å; A67-E71 PolarHBondContact O-N 2.87Å; V68-E71 PolarHBondContact O-N 3.23Å; G69-E71 VanDerWaalsContact C-N 3.31Å; G69-E71 PolarHBondContact O-N 3.2Å; E71-A73 VanDerWaalsContact C-N 3.27Å; E71-A73 PolarHBondContact O-N 3.45Å; E71-Y74 PolarHBondContact O-N 3.32Å; E71-L75 HydrophobicContact CG-CD1 3.99Å; E71-L75 HydrophobicContact CG-CG 4.34Å; E71-L75 WeakPolarHBondContact O-CB 3.41Å; E71-L75 VanDerWaalsContact O-CG 3.32Å; E71-L75 WeakPolarHBondContact O-CG 3.39Å; E71-L75 PolarHBondContact O-N 2.82Å; E71-V245 HydrophobicContact CB-CG2 3.77Å; E71-V245 HydrophobicContact CG-CG1 4.36Å; E71-V245 HydrophobicContact CG-CG2 3.51Å
72F97.2Very high97.1Very high12 Ų1246.9 Ų46.95%0.05323%0.233CC..Hα-helixtrans-52.6-47.7170.7-96.6-112.4000111.3V68 G69 L75 K76 A77 V79 F97 F101 P244 V245V68-F72 HydrophobicContact CG1-CD2 3.91Å; V68-F72 HydrophobicContact CG1-CE2 3.83Å; V68-F72 WeakPolarHBondContact O-CD2 3.37Å; V68-F72 PolarHBondContact O-N 3.16Å; G69-F72 PolarHBondContact O-N 3.32Å; F72-L75 PolarHBondContact O-N 3.01Å; F72-K76 PolarHBondContact O-N 3.18Å; F72-A77 HydrophobicContact CD1-CB 3.97Å; F72-A77 WeakPolarHBondContact O-CB 3.24Å; F72-A77 PolarHBondContact O-N 3.32Å; F72-V79 HydrophobicContact CD1-CG2 4.15Å; F72-F97 HydrophobicContact CB-CE2 4.26Å; F72-F97 HydrophobicContact CB-CZ 3.93Å; F72-F97 HydrophobicContact CD1-CE2 4.26Å; F72-F97 AromaticContact CD1-CZ 3.84Å; F72-F97 HydrophobicContact CD1-CZ 3.84Å; F72-F97 AromaticContact CD2-CE2 3.7Å; F72-F97 HydrophobicContact CD2-CE2 3.7Å; F72-F97 HydrophobicContact CD2-CZ 4.07Å; F72-F97 HydrophobicContact CE1-CZ 4.34Å; F72-F97 HydrophobicContact CE2-CE2 4.03Å; F72-F97 AromaticContact CG-CE2 3.83Å; F72-F97 HydrophobicContact CG-CE2 3.83Å; F72-F97 AromaticContact CG-CZ 3.69Å; F72-F97 HydrophobicContact CG-CZ 3.69Å; F72-F97 HydrophobicContact CZ-CE2 4.45Å; F72-F101 HydrophobicContact CB-CD2 3.97Å; F72-F101 HydrophobicContact CB-CE2 4.23Å; F72-P244 HydrophobicContact CD1-CB 4.34Å; F72-P244 HydrophobicContact CD1-CG 4.13Å; F72-P244 HydrophobicContact CE1-CB 4.25Å; F72-P244 HydrophobicContact CE1-CG 3.76Å; F72-P244 HydrophobicContact CZ-CB 4.34Å; F72-P244 HydrophobicContact CZ-CG 4.1Å; F72-V245 HydrophobicContact CD2-CB 3.93Å; F72-V245 HydrophobicContact CD2-CG2 3.36Å; F72-V245 HydrophobicContact CE2-CB 3.71Å; F72-V245 HydrophobicContact CE2-CG2 3.67Å; F72-V245 HydrophobicContact CG-CG2 4.32Å
73A97.5Very high97.2Very high9 Ų945.9 Ų45.97%0.07423%0.228CC..Hα-helixtrans-65.8-41178.400000112.9G69 A70 E71 L75 K76 F101 V104 H105G69-A73 PolarHBondContact O-N 2.98Å; A70-A73 PolarHBondContact O-N 3.26Å; E71-A73 VanDerWaalsContact C-N 3.27Å; E71-A73 PolarHBondContact O-N 3.45Å; A73-L75 VanDerWaalsContact C-N 3.34Å; A73-K76 PolarHBondContact O-N 2.96Å; A73-K76 VanDerWaalsContact O-N 3.08Å; A73-F101 HydrophobicContact CB-CD2 3.58Å; A73-F101 HydrophobicContact CB-CE2 3.78Å; A73-F101 HydrophobicContact CB-CG 4.17Å; A73-F101 VanDerWaalsContact CB-O 3.32Å; A73-F101 WeakPolarHBondContact CB-O 3.37Å; A73-V104 HydrophobicContact CB-CB 3.65Å; A73-V104 HydrophobicContact CB-CG1 3.8Å; A73-H105 HydrophobicContact CB-CB 3.7Å
74Y97.3Very high97.3Very high165 Ų16539.4 Ų39.465%0.64720%0.2SC*.Hα-helixtrans-61.6-42.7176.9178.3-102.5000111.8A70 E71 K76A70-Y74 PolarHBondContact O-N 3.41Å; E71-Y74 PolarHBondContact O-N 3.32Å; Y74-K76 PolarHBondContact O-N 3.3Å; Y74-K76 VanDerWaalsContact O-N 3.16Å
75L96.6Very high97.4Very high80 Ų8039.2 Ų39.242%0.41920%0.198SC..THydrogen-bonded Turntrans-74.64.3175.7-62.7175.6000113.5E71 F72 A73 A77 P244 V245E71-L75 HydrophobicContact CG-CD1 3.99Å; E71-L75 HydrophobicContact CG-CG 4.34Å; E71-L75 WeakPolarHBondContact O-CB 3.41Å; E71-L75 VanDerWaalsContact O-CG 3.32Å; E71-L75 WeakPolarHBondContact O-CG 3.39Å; E71-L75 PolarHBondContact O-N 2.82Å; F72-L75 PolarHBondContact O-N 3.01Å; A73-L75 VanDerWaalsContact C-N 3.34Å; L75-A77 PolarHBondContact O-N 3.47Å; L75-A77 VanDerWaalsContact O-N 3.16Å; L75-P244 HydrophobicContact CD1-CB 4.36Å; L75-P244 WeakPolarHBondContact CD1-O 3.5Å; L75-V245 HydrophobicContact CD1-CG2 4.11Å
76K95.8Very high97.5Very high192 Ų19239.4 Ų39.484%0.83520%0.2SC*.THydrogen-bonded Turntrans57.724.1-178.1-52.3178.8-178.2176.70113.3F72 A73 Y74 N78F72-K76 PolarHBondContact O-N 3.18Å; A73-K76 PolarHBondContact O-N 2.96Å; A73-K76 VanDerWaalsContact O-N 3.08Å; Y74-K76 PolarHBondContact O-N 3.3Å; Y74-K76 VanDerWaalsContact O-N 3.16Å; K76-N78 PolarHBondContact O-N 3.26Å
77A94.9Very high97.5Very high20 Ų2038.6 Ų38.617%0.16519%0.193CC..  trans-78.8111.8172.500000109F72 L75 F101 P244F72-A77 HydrophobicContact CD1-CB 3.97Å; F72-A77 WeakPolarHBondContact O-CB 3.24Å; F72-A77 PolarHBondContact O-N 3.32Å; L75-A77 PolarHBondContact O-N 3.47Å; L75-A77 VanDerWaalsContact O-N 3.16Å; A77-F101 VanDerWaalsContact O-CE2 3.24Å; A77-F101 WeakPolarHBondContact O-CE2 3.38Å; A77-P244 HydrophobicContact CB-CB 3.6Å; A77-P244 HydrophobicContact CB-CG 3.4Å; A77-P244 VanDerWaalsContact CB-CG 3.4Å
78N94.5Very high97.5Very high62 Ų6236.6 Ų36.633%0.33218%0.176SC..  trans-75156.3-177.8-170.639.1000112.2K76 D80 T188K76-N78 PolarHBondContact O-N 3.26Å; N78-D80 PolarHBondContact ND2-OD1 3.43Å; N78-D80 PolarHBondContact ND2-OD2 3.03Å; N78-D80 VanDerWaalsContact ND2-OD2 3.08Å; N78-T188 WeakPolarHBondContact O-CB 3.19Å; N78-T188 WeakPolarHBondContact O-CG2 3.22Å
79V97.6Very high97.6Very high2 Ų236.5 Ų36.51%0.01218%0.175CC..  trans-140.2119.2170.2176.50000107.4F72 V82 F97 R107 L190F72-V79 HydrophobicContact CD1-CG2 4.15Å; V79-V82 HydrophobicContact CG1-CG2 3.77Å; V79-F97 HydrophobicContact CG2-CE1 4.04Å; V79-F97 HydrophobicContact CG2-CZ 4.02Å; V79-R107 PolarHBondContact O-NH1 3.11Å; V79-L190 HydrophobicContact CG1-CB 3.72Å
80D97.7Very high97.6Very high42 Ų4236.5 Ų36.523%0.22518%0.175CC..  trans-97.6-34.2-176.2-62.2-59.1000112.8N78 R107 L111 S187 T188N78-D80 PolarHBondContact ND2-OD1 3.43Å; N78-D80 PolarHBondContact ND2-OD2 3.03Å; N78-D80 VanDerWaalsContact ND2-OD2 3.08Å; D80-R107 IonicContact OD1-NH2 3.87Å; D80-L111 VanDerWaalsContact O-CD2 3.28Å; D80-L111 WeakPolarHBondContact O-CD2 3.37Å; D80-S187 WeakPolarHBondContact OD2-CA 3.44Å; D80-T188 PolarHBondContact N-O 3Å; D80-T188 PolarHBondContact OD2-N 2.66Å
81Y98.7Very high97.7Very high55 Ų5535.3 Ų35.322%0.21617%0.165CC..EExtended strand (participates in β ladder)trans-134.9139.3-178.2-56.8-79.4000110.8I183 P184 T188 V189 L190Y81-I183 HydrophobicContact CD1-CD1 4.35Å; Y81-I183 HydrophobicContact CD2-CD1 3.59Å; Y81-I183 HydrophobicContact CD2-CG2 4.43Å; Y81-I183 HydrophobicContact CE2-CD1 3.98Å; Y81-I183 HydrophobicContact CE2-CG2 4.41Å; Y81-I183 HydrophobicContact CG-CD1 3.78Å; Y81-P184 WeakPolarHBondContact OH-CD 3.39Å; Y81-T188 PolarHBondContact N-O 3.39Å; Y81-V189 HydrophobicContact CD2-CG2 4.26Å; Y81-V189 WeakPolarHBondContact O-CA 3.45Å; Y81-L190 PolarHBondContact O-N 2.96Å
82V98.8Very high97.7Very high1 Ų132.8 Ų32.81%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-123.8120.8179.5-175.40000109.3V79 A94 V98 L111 V113 R114 L190V79-V82 HydrophobicContact CG1-CG2 3.77Å; V82-A94 HydrophobicContact CG1-CB 3.95Å; V82-V98 HydrophobicContact CG1-CG2 4.46Å; V82-V98 HydrophobicContact CG2-CG2 3.94Å; V82-L111 HydrophobicContact CG2-CD1 4.26Å; V82-V113 HydrophobicContact CG1-CG2 4.12Å; V82-R114 PolarHBondContact O-N 3.48Å; V82-L190 WeakPolarHBondContact CA-O 3.44Å; V82-L190 HydrophobicContact CG1-CD2 4.25Å; V82-L190 HydrophobicContact CG2-CB 4.41Å; V82-L190 HydrophobicContact CG2-CD2 4.48Å
83Y98.8Very high97.8Very high6 Ų632.2 Ų32.22%0.02415%0.15CC..EExtended strand (participates in β ladder)trans-115147.1173.2-64-101.5000110R114 Y150 I179 I183 V189 L190 L191 V192Y83-R114 CarbonylContact C-O 3.45Å; Y83-R114 VanDerWaalsContact CA-O 3.24Å; Y83-R114 WeakPolarHBondContact CA-O 3.05Å; Y83-R114 HydrophobicContact CD1-CB 3.58Å; Y83-R114 HydrophobicContact CE1-CB 3.79Å; Y83-R114 HydrophobicContact CE1-CG 4.3Å; Y83-R114 HydrophobicContact CG-CB 4.15Å; Y83-R114 PolarHBondContact OH-NH1 3.02Å; Y83-Y150 HydrophobicContact CD1-CE1 4.42Å; Y83-Y150 HydrophobicContact CD1-CE2 4.48Å; Y83-Y150 HydrophobicContact CE1-CD2 4.34Å; Y83-Y150 HydrophobicContact CE1-CE1 4.32Å; Y83-Y150 AromaticContact CE1-CE2 3.63Å; Y83-Y150 HydrophobicContact CE1-CE2 3.63Å; Y83-Y150 AromaticContact CE1-CZ 3.61Å; Y83-I179 HydrophobicContact CD1-CD1 3.69Å; Y83-I179 HydrophobicContact CD1-CG1 3.86Å; Y83-I179 HydrophobicContact CD1-CG2 4.42Å; Y83-I179 HydrophobicContact CD2-CG2 4.04Å; Y83-I179 HydrophobicContact CE1-CB 4.36Å; Y83-I179 HydrophobicContact CE1-CD1 4.06Å; Y83-I179 HydrophobicContact CE1-CG1 3.69Å; Y83-I179 HydrophobicContact CE1-CG2 3.97Å; Y83-I179 HydrophobicContact CE2-CG2 3.58Å; Y83-I179 HydrophobicContact CG-CD1 3.95Å; Y83-I179 HydrophobicContact CG-CG1 4.45Å; Y83-I179 HydrophobicContact CG-CG2 4.45Å; Y83-I183 HydrophobicContact CE2-CD1 4.32Å; Y83-V189 HydrophobicContact CD2-CG1 3.64Å; Y83-V189 HydrophobicContact CE2-CG1 3.8Å; Y83-L190 PolarHBondContact N-O 2.82Å; Y83-L191 HydrophobicContact CD2-CD2 3.94Å; Y83-L191 HydrophobicContact CG-CD2 4.05Å; Y83-V192 PolarHBondContact O-N 3.41Å
84S98.9Very high97.9Very high0 Ų031.8 Ų31.80%015%0.147CC..EExtended strand (participates in β ladder)trans-136.6141.4-179-176.40000111.2C90 V91 R114 V115 E116 V192S84-C90 WeakPolarHBondContact OG-CB 3.47Å; S84-C90 PolarHBondContact OG-O 2.98Å; S84-V91 WeakPolarHBondContact OG-CA 3.5Å; S84-V91 PolarHBondContact OG-N 2.67Å; S84-V91 VanDerWaalsContact OG-N 3.11Å; S84-R114 PolarHBondContact N-O 3.45Å; S84-V115 WeakPolarHBondContact O-CA 3.39Å; S84-E116 PolarHBondContact O-N 2.95Å; S84-V192 CarbonylContact C-O 3.42Å; S84-V192 WeakPolarHBondContact CA-O 3.19Å
85S98.8Very high97.9Very high0 Ų024.1 Ų24.10%012%0.117CC..  trans-55.1148.5159.5178.70000111S87 C90 V91 L119 F120 V192 H194S85-S87 PolarHBondContact O-N 3.36Å; S85-C90 WeakPolarHBondContact O-CB 3.26Å; S85-V91 WeakPolarHBondContact O-CG2 3.27Å; S85-L119 WeakPolarHBondContact CB-O 3.37Å; S85-F120 VanDerWaalsContact OG-CA 3.31Å; S85-F120 WeakPolarHBondContact OG-CA 3.35Å; S85-V192 PolarHBondContact N-O 2.86Å; S85-H194 WeakPolarHBondContact CB-NE2 3.49Å; S85-H194 PolarHBondContact OG-NE2 2.76Å
86P98.4Very high98Very high4 Ų423.6 Ų23.63%0.02611%0.11CC..SBendtrans-68.6-15.1-178.129.4-41.2000114.9I88 V115 E116 F120 F133 A156P86-I88 PolarHBondContact O-N 3Å; P86-V115 HydrophobicContact CB-CG1 3.83Å; P86-E116 VanDerWaalsContact CD-O 3.28Å; P86-E116 WeakPolarHBondContact CD-O 3.26Å; P86-F120 HydrophobicContact CG-CB 4.32Å; P86-F133 HydrophobicContact CB-CB 4.2Å; P86-F133 HydrophobicContact CB-CD1 4.03Å; P86-F133 HydrophobicContact CB-CD2 4.19Å; P86-F133 HydrophobicContact CB-CE1 4.45Å; P86-F133 HydrophobicContact CB-CG 3.86Å; P86-F133 HydrophobicContact CG-CD1 4.19Å; P86-F133 HydrophobicContact CG-CD2 4.15Å; P86-F133 HydrophobicContact CG-CE1 4.12Å; P86-F133 HydrophobicContact CG-CE2 4.07Å; P86-F133 HydrophobicContact CG-CG 4.19Å; P86-F133 HydrophobicContact CG-CZ 4.04Å; P86-F133 WeakPolarHBondContact O-CD1 3.18Å; P86-A156 HydrophobicContact CB-CB 3.61Å; P86-A156 HydrophobicContact CG-CB 3.7Å
87S98.4Very high98.1Very high0 Ų014.5 Ų14.50%07%0.07CC..SBendtrans-57.4136175.6640000110.8D54 S85 R89 C90 V91 H194D54-S87 VanDerWaalsContact OD1-CA 3.27Å; D54-S87 WeakPolarHBondContact OD1-CA 3.33Å; D54-S87 VanDerWaalsContact OD1-CB 3.3Å; D54-S87 WeakPolarHBondContact OD1-CB 3.08Å; S85-S87 PolarHBondContact O-N 3.36Å; S87-R89 PolarHBondContact O-N 2.91Å; S87-R89 VanDerWaalsContact O-N 3.15Å; S87-C90 PolarHBondContact O-N 3.34Å; S87-C90 WeakPolarHBondContact OG-CB 3.43Å; S87-C90 PolarHBondContact OG-N 3.2Å; S87-C90 PolarHBondContact OG-SG 3.44Å; S87-V91 PolarHBondContact O-N 2.88Å; S87-V91 VanDerWaalsContact O-N 3.08Å; S87-H194 PolarHBondContact OG-CE1 2.6Å; S87-H194 PolarHBondContact OG-NE2 3.32Å
88I98.1Very high98.3Very high6 Ų613.7 Ų13.73%0.0316%0.063CC..Hα-helixtrans-57.5-36.9-174.9-175.154.6000112.3W51 D54 P55 P56 P86 C90 V91 Q92 L134 L139W51-I88 HydrophobicContact CZ3-CG1 4.39Å; W51-I88 HydrophobicContact CZ3-CG2 4.29Å; D54-I88 WeakPolarHBondContact O-CG2 3.48Å; D54-I88 PolarHBondContact OD1-N 3.45Å; D54-I88 VanDerWaalsContact OD1-N 3.13Å; D54-I88 PolarHBondContact OD2-N 3.26Å; P55-I88 WeakPolarHBondContact O-CG2 3.22Å; P56-I88 HydrophobicContact CB-CG2 4.34Å; P86-I88 PolarHBondContact O-N 3Å; I88-C90 PolarHBondContact O-N 3.42Å; I88-V91 PolarHBondContact O-N 3.38Å; I88-Q92 HydrophobicContact CD1-CG 3.82Å; I88-Q92 HydrophobicContact CG1-CG 4.04Å; I88-Q92 VanDerWaalsContact O-CB 3.28Å; I88-Q92 WeakPolarHBondContact O-CB 3.23Å; I88-Q92 VanDerWaalsContact O-CG 3.27Å; I88-Q92 WeakPolarHBondContact O-CG 3.47Å; I88-Q92 PolarHBondContact O-N 2.87Å; I88-L134 HydrophobicContact CD1-CD1 3.87Å; I88-L134 HydrophobicContact CG1-CD1 4.2Å; I88-L139 HydrophobicContact CD1-CD2 3.56Å
89R98.2Very high98.5Very high5 Ų515.6 Ų15.62%0.0197%0.07CC..Hα-helixtrans-58.3-41.2174.459.4-173.4176.2-78.11.1113.9H3 D54 L57 S87 T93 E121 H194H3-R89 HydrophobicContact CB-CB 4.38Å; H3-R89 HydrophobicContact CB-CG 4.26Å; H3-R89 PolarHBondContact NE2-NE 3.41Å; D54-R89 IonicContact OD1-NH1 3.58Å; D54-R89 PolarHBondContact OD1-NH1 2.61Å; L57-R89 HydrophobicContact CD2-CB 4.01Å; L57-R89 HydrophobicContact CG-CB 4.47Å; S87-R89 PolarHBondContact O-N 2.91Å; S87-R89 VanDerWaalsContact O-N 3.15Å; R89-T93 WeakPolarHBondContact O-CB 3.25Å; R89-T93 PolarHBondContact O-N 3.38Å; R89-T93 PolarHBondContact O-OG1 2.92Å; R89-E121 IonicContact CZ-OE1 2.82Å; R89-E121 IonicContact NH2-OE1 2.92Å; R89-E121 PolarHBondContact NH2-OE1 3.21Å; R89-H194 PolarHBondContact NH2-CE1 3.02Å; R89-H194 PolarHBondContact NH2-ND1 2.73Å
90C98.8Very high98.5Very high0 Ų015.7 Ų15.70%07%0.072CC..Hα-helixtrans-70.3-46.2176.2-72.10000110.4S84 S85 S87 I88 Q92 T93 A94 V192 T193 H194S84-C90 WeakPolarHBondContact OG-CB 3.47Å; S84-C90 PolarHBondContact OG-O 2.98Å; S85-C90 WeakPolarHBondContact O-CB 3.26Å; S87-C90 PolarHBondContact O-N 3.34Å; S87-C90 WeakPolarHBondContact OG-CB 3.43Å; S87-C90 PolarHBondContact OG-N 3.2Å; S87-C90 PolarHBondContact OG-SG 3.44Å; I88-C90 PolarHBondContact O-N 3.42Å; C90-Q92 PolarHBondContact O-N 3.46Å; C90-T93 WeakPolarHBondContact O-CB 3.45Å; C90-T93 PolarHBondContact O-N 3.37Å; C90-T93 VanDerWaalsContact O-N 3.12Å; C90-A94 PolarHBondContact O-N 2.91Å; C90-V192 HydrophobicContact CB-CG1 4.1Å; C90-T193 PolarHBondContact SG-O 3Å; C90-H194 PolarHBondContact SG-CE1 3.31Å
91V98.8Very high98.6Very high0 Ų013.8 Ų13.80%06%0.062CC..Hα-helixtrans-60.3-47.4179.7178.60000110.4S84 S85 S87 I88 T93 A94 C95 V115 L139 L144 V146S84-V91 WeakPolarHBondContact OG-CA 3.5Å; S84-V91 PolarHBondContact OG-N 2.67Å; S84-V91 VanDerWaalsContact OG-N 3.11Å; S85-V91 WeakPolarHBondContact O-CG2 3.27Å; S87-V91 PolarHBondContact O-N 2.88Å; S87-V91 VanDerWaalsContact O-N 3.08Å; I88-V91 PolarHBondContact O-N 3.38Å; V91-T93 VanDerWaalsContact C-N 3.33Å; V91-T93 PolarHBondContact O-N 2.87Å; V91-A94 PolarHBondContact O-N 3.22Å; V91-C95 WeakPolarHBondContact O-CB 3.36Å; V91-C95 PolarHBondContact O-N 2.89Å; V91-C95 PolarHBondContact O-SG 2.85Å; V91-V115 HydrophobicContact CG2-CG2 4.17Å; V91-L139 HydrophobicContact CG1-CD1 4.07Å; V91-L139 HydrophobicContact CG1-CD2 4.31Å; V91-L139 HydrophobicContact CG2-CD1 4.33Å; V91-L144 HydrophobicContact CG1-CD1 4.15Å; V91-V146 HydrophobicContact CG1-CG2 4.45Å
92Q98.4Very high98.5Very high28 Ų2812.1 Ų12.113%0.1316%0.056CC..Hα-helixtrans-59.8-43.5175-74.6175.7-35.300111.2L57 I88 C90 A94 C95 R96L57-Q92 HydrophobicContact CD1-CB 3.66Å; L57-Q92 HydrophobicContact CG-CB 3.91Å; I88-Q92 HydrophobicContact CD1-CG 3.82Å; I88-Q92 HydrophobicContact CG1-CG 4.04Å; I88-Q92 VanDerWaalsContact O-CB 3.28Å; I88-Q92 WeakPolarHBondContact O-CB 3.23Å; I88-Q92 VanDerWaalsContact O-CG 3.27Å; I88-Q92 WeakPolarHBondContact O-CG 3.47Å; I88-Q92 PolarHBondContact O-N 2.87Å; C90-Q92 PolarHBondContact O-N 3.46Å; Q92-A94 PolarHBondContact O-N 3.08Å; Q92-C95 PolarHBondContact O-N 3.48Å; Q92-R96 WeakPolarHBondContact O-CB 3.42Å; Q92-R96 VanDerWaalsContact O-CG 3.27Å; Q92-R96 WeakPolarHBondContact O-CG 3.42Å; Q92-R96 PolarHBondContact O-N 3.44Å
93T98.8Very high98.4Very high0 Ų019.5 Ų19.50%09%0.088CC..Hα-helixtrans-58.8-49.7176.8-60.40000110.8M1 H3 G4 A65 R89 C90 V91 C95 R96 F97 V192 L225M1-T93 HydrophobicContact CE-CG2 3.82Å; H3-T93 WeakPolarHBondContact CA-OG1 3.34Å; H3-T93 WeakPolarHBondContact CB-OG1 3.11Å; G4-T93 PolarHBondContact N-OG1 3.12Å; A65-T93 HydrophobicContact CB-CG2 3.94Å; R89-T93 WeakPolarHBondContact O-CB 3.25Å; R89-T93 PolarHBondContact O-N 3.38Å; R89-T93 PolarHBondContact O-OG1 2.92Å; C90-T93 WeakPolarHBondContact O-CB 3.45Å; C90-T93 PolarHBondContact O-N 3.37Å; C90-T93 VanDerWaalsContact O-N 3.12Å; V91-T93 VanDerWaalsContact C-N 3.33Å; V91-T93 PolarHBondContact O-N 2.87Å; T93-C95 VanDerWaalsContact C-N 3.35Å; T93-C95 PolarHBondContact O-N 3.24Å; T93-R96 PolarHBondContact O-N 3.12Å; T93-F97 WeakPolarHBondContact O-CB 3.05Å; T93-F97 PolarHBondContact O-N 3.44Å; T93-V192 HydrophobicContact CG2-CG1 3.93Å; T93-L225 HydrophobicContact CG2-CD2 3.65Å
94A98.9Very high98.4Very high0 Ų022.7 Ų22.70%011%0.108CC..Hα-helixtrans-60.4-44.1178.900000111.7V82 C90 V91 Q92 F97 V98 V113 V192V82-A94 HydrophobicContact CG1-CB 3.95Å; C90-A94 PolarHBondContact O-N 2.91Å; V91-A94 PolarHBondContact O-N 3.22Å; Q92-A94 PolarHBondContact O-N 3.08Å; A94-F97 WeakPolarHBondContact O-CB 3.48Å; A94-F97 PolarHBondContact O-N 3.32Å; A94-V98 WeakPolarHBondContact O-CG2 3.48Å; A94-V98 PolarHBondContact O-N 2.8Å; A94-V113 HydrophobicContact CB-CG1 3.81Å; A94-V113 HydrophobicContact CB-CG2 3.89Å; A94-V192 HydrophobicContact CB-CB 4.13Å; A94-V192 HydrophobicContact CB-CG1 4.5Å; A94-V192 HydrophobicContact CB-CG2 3.78Å
95C98.7Very high98.2Very high4 Ų426.6 Ų26.63%0.02713%0.126CC..Hα-helixtrans-66.2-42.5179.3-64.80000112.2V91 Q92 T93 V98 E99 L144 P145V91-C95 WeakPolarHBondContact O-CB 3.36Å; V91-C95 PolarHBondContact O-N 2.89Å; V91-C95 PolarHBondContact O-SG 2.85Å; Q92-C95 PolarHBondContact O-N 3.48Å; T93-C95 VanDerWaalsContact C-N 3.35Å; T93-C95 PolarHBondContact O-N 3.24Å; C95-V98 PolarHBondContact O-N 3.3Å; C95-E99 PolarHBondContact O-N 3.27Å; C95-L144 HydrophobicContact CB-CD2 3.97Å; C95-P145 HydrophobicContact CB-CG 4.41Å
96R98.5Very high97.9Very high69 Ų6933.7 Ų33.726%0.2616%0.156SC..Hα-helixtrans-67-39.2176.3-64.8-35.6-64.2-101.87.4111.6H62 A65 A66 Q92 T93 E99 G100H62-R96 HydrophobicContact CB-CG 4.18Å; H62-R96 WeakPolarHBondContact ND1-CD 3.33Å; H62-R96 WeakPolarHBondContact ND1-CG 3.41Å; A65-R96 HydrophobicContact CB-CB 3.79Å; A66-R96 VanDerWaalsContact CA-O 3.26Å; A66-R96 WeakPolarHBondContact CA-O 3.49Å; A66-R96 HydrophobicContact CB-CB 4.23Å; Q92-R96 WeakPolarHBondContact O-CB 3.42Å; Q92-R96 VanDerWaalsContact O-CG 3.27Å; Q92-R96 WeakPolarHBondContact O-CG 3.42Å; Q92-R96 PolarHBondContact O-N 3.44Å; T93-R96 PolarHBondContact O-N 3.12Å; R96-E99 IonicContact CZ-OE1 2.98Å; R96-E99 IonicContact CZ-OE2 3.95Å; R96-E99 IonicContact NE-OE2 3.9Å; R96-E99 PolarHBondContact NE-OE2 3Å; R96-E99 VanDerWaalsContact NH2-CD 3.33Å; R96-E99 IonicContact NH2-OE1 3.86Å; R96-E99 PolarHBondContact NH2-OE1 3.22Å; R96-E99 IonicContact NH2-OE2 2.86Å; R96-E99 PolarHBondContact NH2-OE2 2.98Å; R96-E99 PolarHBondContact O-N 2.87Å; R96-G100 PolarHBondContact O-N 3.44Å
97F98.5Very high97.6Very high0 Ų036.2 Ų36.20%017%0.165CC..Hα-helixtrans-56.1-50.4171.1177.9-78.3000110.8M1 A65 V68 G69 F72 V79 T93 A94 E99 G100 F101 L190M1-F97 HydrophobicContact CE-CB 4.38Å; M1-F97 HydrophobicContact CE-CD2 3.93Å; M1-F97 HydrophobicContact CE-CG 4.35Å; M1-F97 HydrophobicContact SD-CD2 4.31Å; A65-F97 WeakPolarHBondContact O-CA 3.36Å; V68-F97 HydrophobicContact CG1-CD2 4.08Å; V68-F97 HydrophobicContact CG1-CE2 4.02Å; G69-F97 VanDerWaalsContact CA-CD2 3.49Å; G69-F97 WeakPolarHBondContact CA-O 3.39Å; F72-F97 HydrophobicContact CB-CE2 4.26Å; F72-F97 HydrophobicContact CB-CZ 3.93Å; F72-F97 HydrophobicContact CD1-CE2 4.26Å; F72-F97 AromaticContact CD1-CZ 3.84Å; F72-F97 HydrophobicContact CD1-CZ 3.84Å; F72-F97 AromaticContact CD2-CE2 3.7Å; F72-F97 HydrophobicContact CD2-CE2 3.7Å; F72-F97 HydrophobicContact CD2-CZ 4.07Å; F72-F97 HydrophobicContact CE1-CZ 4.34Å; F72-F97 HydrophobicContact CE2-CE2 4.03Å; F72-F97 AromaticContact CG-CE2 3.83Å; F72-F97 HydrophobicContact CG-CE2 3.83Å; F72-F97 AromaticContact CG-CZ 3.69Å; F72-F97 HydrophobicContact CG-CZ 3.69Å; F72-F97 HydrophobicContact CZ-CE2 4.45Å; V79-F97 HydrophobicContact CG2-CE1 4.04Å; V79-F97 HydrophobicContact CG2-CZ 4.02Å; T93-F97 WeakPolarHBondContact O-CB 3.05Å; T93-F97 PolarHBondContact O-N 3.44Å; A94-F97 WeakPolarHBondContact O-CB 3.48Å; A94-F97 PolarHBondContact O-N 3.32Å; F97-E99 VanDerWaalsContact C-N 3.34Å; F97-E99 PolarHBondContact O-N 2.83Å; F97-G100 PolarHBondContact O-N 2.93Å; F97-F101 HydrophobicContact CD1-CB 4.45Å; F97-F101 HydrophobicContact CE1-CB 4.18Å; F97-F101 HydrophobicContact CE1-CD2 4.37Å; F97-F101 HydrophobicContact CE1-CG 4.37Å; F97-F101 VanDerWaalsContact O-CB 3.26Å; F97-F101 WeakPolarHBondContact O-CB 3.5Å; F97-F101 PolarHBondContact O-N 3.42Å; F97-L190 HydrophobicContact CD1-CD2 3.5Å; F97-L190 HydrophobicContact CD2-CD2 4.12Å; F97-L190 HydrophobicContact CE1-CD2 3.52Å; F97-L190 HydrophobicContact CE2-CD2 4.09Å; F97-L190 HydrophobicContact CG-CD2 3.85Å; F97-L190 HydrophobicContact CZ-CD2 3.82Å
98V98.7Very high97.3Very high4 Ų442.2 Ų42.22%0.02421%0.207CC..Hα-helixtrans-58.6-45.5178.3166.20000111.4V82 A94 C95 G100 F101 E102 L111 V113 P145V82-V98 HydrophobicContact CG1-CG2 4.46Å; V82-V98 HydrophobicContact CG2-CG2 3.94Å; A94-V98 WeakPolarHBondContact O-CG2 3.48Å; A94-V98 PolarHBondContact O-N 2.8Å; C95-V98 PolarHBondContact O-N 3.3Å; V98-G100 PolarHBondContact O-N 2.92Å; V98-F101 PolarHBondContact O-N 3.01Å; V98-E102 HydrophobicContact CG1-CG 4.43Å; V98-E102 WeakPolarHBondContact O-CB 3.42Å; V98-E102 WeakPolarHBondContact O-CG 3.48Å; V98-E102 PolarHBondContact O-N 3.27Å; V98-L111 HydrophobicContact CG1-CB 3.85Å; V98-L111 HydrophobicContact CG2-CB 4.04Å; V98-L111 HydrophobicContact CG2-CD1 4.31Å; V98-V113 HydrophobicContact CG2-CG2 4.3Å; V98-P145 HydrophobicContact CG1-CG 4.37Å
99E98.1Very high97.2Very high101 Ų10147.1 Ų47.147%0.47224%0.237SC..Hα-helixtrans-58.3-48.8177-176.9-166.2150.300111.9C95 R96 F97 K103C95-E99 PolarHBondContact O-N 3.27Å; R96-E99 IonicContact CZ-OE1 2.98Å; R96-E99 IonicContact CZ-OE2 3.95Å; R96-E99 IonicContact NE-OE2 3.9Å; R96-E99 PolarHBondContact NE-OE2 3Å; R96-E99 VanDerWaalsContact NH2-CD 3.33Å; R96-E99 IonicContact NH2-OE1 3.86Å; R96-E99 PolarHBondContact NH2-OE1 3.22Å; R96-E99 IonicContact NH2-OE2 2.86Å; R96-E99 PolarHBondContact NH2-OE2 2.98Å; R96-E99 PolarHBondContact O-N 2.87Å; F97-E99 VanDerWaalsContact C-N 3.34Å; F97-E99 PolarHBondContact O-N 2.83Å; E99-K103 WeakPolarHBondContact O-CB 3.18Å; E99-K103 PolarHBondContact O-N 3.11Å
100G98.2Very high97.1Very high5 Ų552.2 Ų52.25%0.05226%0.26CS..Hα-helixtrans-62.8-45.6177.800000112.6A66 A70 R96 F97 V98 K103 V104A66-G100 WeakPolarHBondContact O-CA 3.41Å; A70-G100 WeakPolarHBondContact CA-O 3.4Å; R96-G100 PolarHBondContact O-N 3.44Å; F97-G100 PolarHBondContact O-N 2.93Å; V98-G100 PolarHBondContact O-N 2.92Å; G100-K103 WeakPolarHBondContact O-CB 3.29Å; G100-K103 PolarHBondContact O-N 2.92Å; G100-V104 PolarHBondContact O-N 2.84Å
101F98.3Very high97.1Very high2 Ų252.7 Ų52.71%0.00926%0.262CS..Hα-helixtrans-58.6-50.5178.6-175.6-98.2000111.4G69 F72 A73 A77 F97 V98 K103 V104 H105 L111G69-F101 WeakPolarHBondContact O-CA 3.34Å; G69-F101 WeakPolarHBondContact O-CD2 3.34Å; F72-F101 HydrophobicContact CB-CD2 3.97Å; F72-F101 HydrophobicContact CB-CE2 4.23Å; A73-F101 HydrophobicContact CB-CD2 3.58Å; A73-F101 HydrophobicContact CB-CE2 3.78Å; A73-F101 HydrophobicContact CB-CG 4.17Å; A73-F101 VanDerWaalsContact CB-O 3.32Å; A73-F101 WeakPolarHBondContact CB-O 3.37Å; A77-F101 VanDerWaalsContact O-CE2 3.24Å; A77-F101 WeakPolarHBondContact O-CE2 3.38Å; F97-F101 HydrophobicContact CD1-CB 4.45Å; F97-F101 HydrophobicContact CE1-CB 4.18Å; F97-F101 HydrophobicContact CE1-CD2 4.37Å; F97-F101 HydrophobicContact CE1-CG 4.37Å; F97-F101 VanDerWaalsContact O-CB 3.26Å; F97-F101 WeakPolarHBondContact O-CB 3.5Å; F97-F101 PolarHBondContact O-N 3.42Å; V98-F101 PolarHBondContact O-N 3.01Å; F101-K103 VanDerWaalsContact C-N 3.31Å; F101-K103 PolarHBondContact O-N 3.27Å; F101-V104 PolarHBondContact O-N 2.79Å; F101-H105 HydrophobicContact CE1-CB 4.24Å; F101-H105 AromaticContact CE1-CD2 3.72Å; F101-H105 HydrophobicContact CZ-CB 4.3Å; F101-H105 AromaticContact CZ-CD2 3.84Å; F101-H105 PolarHBondContact O-N 2.72Å; F101-L111 HydrophobicContact CD1-CD1 3.92Å; F101-L111 HydrophobicContact CE1-CD1 4.18Å
102E97.8Very high97.1Very high19 Ų1957.7 Ų57.79%0.08928%0.284CS..Hα-helixtrans-79.7-12-178.2-64.4-167.9159.600114.5V98 V104 H105 K106 K110 L111V98-E102 HydrophobicContact CG1-CG 4.43Å; V98-E102 WeakPolarHBondContact O-CB 3.42Å; V98-E102 WeakPolarHBondContact O-CG 3.48Å; V98-E102 PolarHBondContact O-N 3.27Å; E102-V104 VanDerWaalsContact C-N 3.3Å; E102-H105 WeakPolarHBondContact CA-O 3.25Å; E102-K106 PolarHBondContact O-NZ 3.44Å; E102-K110 VanDerWaalsContact OE1-CA 3.3Å; E102-K110 WeakPolarHBondContact OE1-CA 3.39Å; E102-K110 WeakPolarHBondContact OE2-CD 3.28Å; E102-K110 IonicContact OE2-NZ 2.76Å; E102-K110 PolarHBondContact OE2-NZ 2.82Å; E102-L111 PolarHBondContact OE1-N 3.08Å
103K97.1Very high97.1Very high157 Ų15756.3 Ų56.368%0.68328%0.278SS*.Hα-helixtrans-65.2-39.4167.9-171.6176.4178.7-1790110.5E99 G100 F101 K106E99-K103 WeakPolarHBondContact O-CB 3.18Å; E99-K103 PolarHBondContact O-N 3.11Å; G100-K103 WeakPolarHBondContact O-CB 3.29Å; G100-K103 PolarHBondContact O-N 2.92Å; F101-K103 VanDerWaalsContact C-N 3.31Å; F101-K103 PolarHBondContact O-N 3.27Å; K103-K106 WeakPolarHBondContact O-CE 3.22Å; K103-K106 PolarHBondContact O-NZ 3.01Å
104V97.4Very high97.1Very high72 Ų7258.8 Ų58.844%0.43629%0.287SS..Hα-helixtrans-91.3-51.4179.81780000111.4A70 A73 G100 F101 E102 K106A70-V104 HydrophobicContact CB-CG2 3.88Å; A73-V104 HydrophobicContact CB-CB 3.65Å; A73-V104 HydrophobicContact CB-CG1 3.8Å; G100-V104 PolarHBondContact O-N 2.84Å; F101-V104 PolarHBondContact O-N 2.79Å; E102-V104 VanDerWaalsContact C-N 3.3Å; V104-K106 PolarHBondContact O-N 3.14Å
105H95.5Very high97.1Very high82 Ų8259.1 Ų59.138%0.3829%0.289SS..SBendtrans-95.296.8179.8-174.154.1000111.3A73 F101 E102 R107A73-H105 HydrophobicContact CB-CB 3.7Å; F101-H105 HydrophobicContact CE1-CB 4.24Å; F101-H105 AromaticContact CE1-CD2 3.72Å; F101-H105 HydrophobicContact CZ-CB 4.3Å; F101-H105 AromaticContact CZ-CD2 3.84Å; F101-H105 PolarHBondContact O-N 2.72Å; E102-H105 WeakPolarHBondContact CA-O 3.25Å; H105-R107 PolarHBondContact O-N 3.06Å
106K92.6Very high97.1Very high149 Ų14958.9 Ų58.965%0.64829%0.287SS*.  trans-72.3118.2179.3-59-62.1171.6-159.30110.9E102 K103 V104E102-K106 PolarHBondContact O-NZ 3.44Å; K103-K106 WeakPolarHBondContact O-CE 3.22Å; K103-K106 PolarHBondContact O-NZ 3.01Å; V104-K106 PolarHBondContact O-N 3.14Å
107R92.2Very high97.1Very high57 Ų5755.7 Ų55.722%0.21528%0.276CS..  trans-113.6146178.4-59.2172.271.7140.28.8111.1V79 D80 H105 V109V79-R107 PolarHBondContact O-NH1 3.11Å; D80-R107 IonicContact OD1-NH2 3.87Å; H105-R107 PolarHBondContact O-N 3.06Å; R107-V109 VanDerWaalsContact CB-O 3.28Å; R107-V109 WeakPolarHBondContact CB-O 3.3Å; R107-V109 PolarHBondContact NE-O 2.66Å
108S92.9Very high97.1Very high126 Ų12655.7 Ų55.788%0.88128%0.276SS*.SBendtrans-68.9-41.7170.753.30000111.6
109V94.7Very high97Very high109 Ų10955.5 Ų55.566%0.66128%0.275SS*.SBendtrans-102.2125.1174.8-175.90000109.4R107R107-V109 VanDerWaalsContact CB-O 3.28Å; R107-V109 WeakPolarHBondContact CB-O 3.3Å; R107-V109 PolarHBondContact NE-O 2.66Å
110K96.6Very high97.1Very high113 Ų11350.8 Ų50.849%0.49125%0.253SS..PPolyproline II helixtrans-80.4135.7-177.6-63.2-70.4177.6-175.20111.5E102E102-K110 VanDerWaalsContact OE1-CA 3.3Å; E102-K110 WeakPolarHBondContact OE1-CA 3.39Å; E102-K110 WeakPolarHBondContact OE2-CD 3.28Å; E102-K110 IonicContact OE2-NZ 2.76Å; E102-K110 PolarHBondContact OE2-NZ 2.82Å
111L98.3Very high96.9Very high10 Ų1052 Ų525%0.05226%0.257CS..PPolyproline II helixtrans-64.7139.3171.7-72.6175.7000110D80 V82 V98 F101 E102D80-L111 VanDerWaalsContact O-CD2 3.28Å; D80-L111 WeakPolarHBondContact O-CD2 3.37Å; V82-L111 HydrophobicContact CG2-CD1 4.26Å; V98-L111 HydrophobicContact CG1-CB 3.85Å; V98-L111 HydrophobicContact CG2-CB 4.04Å; V98-L111 HydrophobicContact CG2-CD1 4.31Å; F101-L111 HydrophobicContact CD1-CD1 3.92Å; F101-L111 HydrophobicContact CE1-CD1 4.18Å; E102-L111 PolarHBondContact OE1-N 3.08Å
112K98.5Very high96.7Very high104 Ų10452 Ų5245%0.45226%0.257SS..  trans-121.3149.4169.8-63.1-171.6-179.5-177.60110.1P145 D147K112-P145 CarbonylContact C-O 3.54Å; K112-P145 WeakPolarHBondContact CA-O 3.31Å; K112-P145 WeakPolarHBondContact CB-O 3.42Å; K112-D147 HydrophobicContact CB-CB 3.73Å; K112-D147 HydrophobicContact CD-CB 4.19Å
113V98.9Very high96.4Very high0 Ų052.4 Ų52.40%026%0.259CS..EExtended strand (participates in β ladder)trans-91119.7179179.40000109.2V82 A94 V98 P145 V146 D147V82-V113 HydrophobicContact CG1-CG2 4.12Å; A94-V113 HydrophobicContact CB-CG1 3.81Å; A94-V113 HydrophobicContact CB-CG2 3.89Å; V98-V113 HydrophobicContact CG2-CG2 4.3Å; V113-P145 PolarHBondContact N-O 2.96Å; V113-V146 WeakPolarHBondContact O-CA 3.3Å; V113-D147 PolarHBondContact O-N 2.92Å
114R98.8Very high95.9Very high52 Ų5248.9 Ų48.920%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-91.3116175.2-65.4178.9176.7158.63.6109.4V82 Y83 S84 D147 Y150V82-R114 PolarHBondContact O-N 3.48Å; Y83-R114 CarbonylContact C-O 3.45Å; Y83-R114 VanDerWaalsContact CA-O 3.24Å; Y83-R114 WeakPolarHBondContact CA-O 3.05Å; Y83-R114 HydrophobicContact CD1-CB 3.58Å; Y83-R114 HydrophobicContact CE1-CB 3.79Å; Y83-R114 HydrophobicContact CE1-CG 4.3Å; Y83-R114 HydrophobicContact CG-CB 4.15Å; Y83-R114 PolarHBondContact OH-NH1 3.02Å; S84-R114 PolarHBondContact N-O 3.45Å; R114-D147 HydrophobicContact CG-CB 3.89Å; R114-D147 IonicContact NE-OD2 2.73Å; R114-D147 PolarHBondContact NE-OD2 3.47Å; R114-Y150 HydrophobicContact CB-CD1 3.66Å; R114-Y150 HydrophobicContact CB-CD2 4.17Å; R114-Y150 HydrophobicContact CB-CE1 4.08Å; R114-Y150 HydrophobicContact CB-CG 3.7Å; R114-Y150 HydrophobicContact CG-CD1 4.27Å; R114-Y150 HydrophobicContact CG-CD2 4.07Å; R114-Y150 HydrophobicContact CG-CG 3.78Å
115V98.8Very high95.1Very high6 Ų650.7 Ų50.74%0.03625%0.248CC..EExtended strand (participates in β ladder)trans-83.9125.7-179.1-179.80000109.5S84 P86 V91 E136 V146 Y150S84-V115 WeakPolarHBondContact O-CA 3.39Å; P86-V115 HydrophobicContact CB-CG1 3.83Å; V91-V115 HydrophobicContact CG2-CG2 4.17Å; V115-E136 HydrophobicContact CB-CG 3.92Å; V115-E136 HydrophobicContact CG1-CG 4.43Å; V115-E136 HydrophobicContact CG2-CG 4.01Å; V115-V146 HydrophobicContact CG2-CG1 4.1Å; V115-Y150 WeakPolarHBondContact O-CD1 3.3Å; V115-Y150 VanDerWaalsContact O-CE1 3.28Å; V115-Y150 WeakPolarHBondContact O-CE1 3.44Å
116E98.6Very high94.5Very high0 Ų051.1 Ų51.10%026%0.256CS..  trans-130.9111.6-175.9177.254.5-115.300110.8S84 P86 G118 L119 Y150 S152 Y153 I154 T175 I179S84-E116 PolarHBondContact O-N 2.95Å; P86-E116 VanDerWaalsContact CD-O 3.28Å; P86-E116 WeakPolarHBondContact CD-O 3.26Å; E116-G118 PolarHBondContact O-N 3.44Å; E116-G118 PolarHBondContact OE1-N 2.8Å; E116-L119 HydrophobicContact CB-CD1 4.04Å; E116-L119 HydrophobicContact CB-CG 4.1Å; E116-L119 HydrophobicContact CG-CD1 4.34Å; E116-L119 HydrophobicContact CG-CG 3.94Å; E116-L119 PolarHBondContact O-N 2.9Å; E116-L119 VanDerWaalsContact O-N 3.14Å; E116-Y150 HydrophobicContact CB-CE1 4.31Å; E116-Y150 PolarHBondContact OE2-OH 3.17Å; E116-S152 WeakPolarHBondContact OE2-CA 3.3Å; E116-S152 WeakPolarHBondContact OE2-CB 3.29Å; E116-Y153 PolarHBondContact OE1-N 3.44Å; E116-Y153 PolarHBondContact OE2-N 3.39Å; E116-I154 PolarHBondContact OE1-N 2.81Å; E116-T175 HydrophobicContact CG-CG2 3.29Å; E116-I179 HydrophobicContact CG-CD1 4.28Å
117G98.3Very high93.8Very high1 Ų146.4 Ų46.41%0.0125%0.25CC..G310 helixtrans-60.4-36.1-179.700000112.3L119 F120 I154 L159G117-L119 PolarHBondContact O-N 2.9Å; G117-F120 VanDerWaalsContact O-CB 3.3Å; G117-F120 WeakPolarHBondContact O-CB 3.45Å; G117-F120 PolarHBondContact O-N 2.98Å; G117-I154 WeakPolarHBondContact CA-O 3.35Å; G117-I154 PolarHBondContact N-O 3.18Å; G117-L159 WeakPolarHBondContact O-CD2 3.49Å
118G98.2Very high93.4Very high0 Ų047.3 Ų47.30%026%0.264CS..G310 helixtrans-57.8-17.3177.500000115.4E116 R171 T175E116-G118 PolarHBondContact O-N 3.44Å; E116-G118 PolarHBondContact OE1-N 2.8Å; G118-R171 PolarHBondContact O-NH1 2.96Å; G118-T175 WeakPolarHBondContact CA-OG1 3.31Å
119L98.6Very high93.3Very high1 Ų146.4 Ų46.41%0.00525%0.253CS..G310 helixtrans-88.62.1174.8-61.5179.7000114.1S85 E116 G117 T175 I179 L191 T193 N197 L200S85-L119 WeakPolarHBondContact CB-O 3.37Å; E116-L119 HydrophobicContact CB-CD1 4.04Å; E116-L119 HydrophobicContact CB-CG 4.1Å; E116-L119 HydrophobicContact CG-CD1 4.34Å; E116-L119 HydrophobicContact CG-CG 3.94Å; E116-L119 PolarHBondContact O-N 2.9Å; E116-L119 VanDerWaalsContact O-N 3.14Å; G117-L119 PolarHBondContact O-N 2.9Å; L119-T175 HydrophobicContact CD2-CG2 4.11Å; L119-T175 HydrophobicContact CG-CG2 4.2Å; L119-I179 HydrophobicContact CD1-CD1 4.42Å; L119-L191 HydrophobicContact CD1-CD2 4.42Å; L119-T193 PolarHBondContact O-OG1 2.91Å; L119-N197 PolarHBondContact O-ND2 3.17Å; L119-N197 VanDerWaalsContact O-ND2 3.14Å; L119-L200 HydrophobicContact CD2-CD2 4.45Å
120F98.2Very high93.2Very high2 Ų242.8 Ų42.81%0.00923%0.23CC..PPolyproline II helixtrans-68.9151.6174.9-169.9-115.9000112.3S85 P86 G117 L123 P131 F133 L159 R171 H194S85-F120 VanDerWaalsContact OG-CA 3.31Å; S85-F120 WeakPolarHBondContact OG-CA 3.35Å; P86-F120 HydrophobicContact CG-CB 4.32Å; G117-F120 VanDerWaalsContact O-CB 3.3Å; G117-F120 WeakPolarHBondContact O-CB 3.45Å; G117-F120 PolarHBondContact O-N 2.98Å; F120-L123 HydrophobicContact CE1-CD1 4.4Å; F120-L123 HydrophobicContact CE1-CD2 3.84Å; F120-L123 HydrophobicContact CE1-CG 4.17Å; F120-L123 HydrophobicContact CZ-CD2 4.03Å; F120-P131 HydrophobicContact CZ-CG 4.08Å; F120-F133 HydrophobicContact CD1-CZ 4.08Å; F120-F133 AromaticContact CD2-CE1 3.87Å; F120-F133 HydrophobicContact CD2-CE1 3.87Å; F120-F133 AromaticContact CD2-CZ 3.63Å; F120-F133 HydrophobicContact CD2-CZ 3.63Å; F120-F133 AromaticContact CE1-CZ 3.95Å; F120-F133 HydrophobicContact CE1-CZ 3.95Å; F120-F133 AromaticContact CE2-CE1 3.6Å; F120-F133 HydrophobicContact CE2-CE1 3.6Å; F120-F133 AromaticContact CE2-CZ 3.53Å; F120-F133 HydrophobicContact CE2-CZ 3.53Å; F120-F133 AromaticContact CG-CZ 3.93Å; F120-F133 HydrophobicContact CG-CZ 3.93Å; F120-F133 HydrophobicContact CZ-CE1 4.1Å; F120-F133 AromaticContact CZ-CZ 3.69Å; F120-F133 HydrophobicContact CZ-CZ 3.69Å; F120-L159 HydrophobicContact CB-CD1 3.63Å; F120-L159 HydrophobicContact CD1-CD1 4Å; F120-L159 HydrophobicContact CG-CD1 4.05Å; F120-R171 PolarHBondContact O-NH1 3.31Å; F120-R171 PolarHBondContact O-NH2 3.14Å; F120-H194 AromaticContact CD2-NE2 3.56Å
121E95.8Very high93.1Very high29 Ų2938.2 Ų38.214%0.13621%0.212CC..PPolyproline II helixtrans-72.2166-177.265.4-172.4138.800113.7R89 L123 H194 P196R89-E121 IonicContact CZ-OE1 2.82Å; R89-E121 IonicContact NH2-OE1 2.92Å; R89-E121 PolarHBondContact NH2-OE1 3.21Å; E121-L123 HydrophobicContact CG-CD2 4.46Å; E121-H194 HydrophobicContact CB-CB 3.61Å; E121-H194 HydrophobicContact CG-CB 4.34Å; E121-H194 PolarHBondContact N-CD2 3.11Å; E121-H194 IonicContact OE1-CE1 2.91Å; E121-H194 IonicContact OE1-ND1 3.12Å; E121-H194 PolarHBondContact OE1-ND1 3.04Å; E121-P196 HydrophobicContact CB-CB 3.94Å; E121-P196 HydrophobicContact CB-CG 3.87Å; E121-P196 WeakPolarHBondContact OE2-CG 3.35Å
122W93.9Very high92.9Very high4 Ų442.5 Ų42.52%0.01523%0.227CC..PPolyproline II helixtrans-83.3129.4171.4-170.643.9000110.6F124 H125 E163 F165 F168 M212 W215W122-F124 HydrophobicContact CE3-CD1 4.23Å; W122-F124 HydrophobicContact CE3-CG 4.48Å; W122-F124 HydrophobicContact CZ3-CB 4.49Å; W122-F124 HydrophobicContact CZ3-CD1 4.27Å; W122-F124 VanDerWaalsContact O-CD2 3.22Å; W122-F124 WeakPolarHBondContact O-CD2 3.26Å; W122-F124 VanDerWaalsContact O-CE2 3.31Å; W122-F124 WeakPolarHBondContact O-CE2 3.31Å; W122-F124 PolarHBondContact O-N 2.87Å; W122-F124 VanDerWaalsContact O-N 3.11Å; W122-H125 HydrophobicContact CZ2-CB 3.89Å; W122-E163 PolarHBondContact NE1-O 3.07Å; W122-F165 AromaticContact CE3-CD2 3.94Å; W122-F165 HydrophobicContact CE3-CD2 3.94Å; W122-F165 HydrophobicContact CH2-CB 4.14Å; W122-F165 HydrophobicContact CZ2-CB 4.21Å; W122-F165 HydrophobicContact CZ3-CB 4.36Å; W122-F165 AromaticContact CZ3-CD2 3.99Å; W122-F165 HydrophobicContact CZ3-CD2 3.99Å; W122-F168 HydrophobicContact CB-CB 4.19Å; W122-F168 HydrophobicContact CB-CD1 3.76Å; W122-F168 HydrophobicContact CB-CD2 3.63Å; W122-F168 HydrophobicContact CB-CE1 3.95Å; W122-F168 HydrophobicContact CB-CE2 3.83Å; W122-F168 HydrophobicContact CB-CG 3.57Å; W122-F168 HydrophobicContact CB-CZ 3.97Å; W122-F168 HydrophobicContact CG-CB 3.95Å; W122-F168 HydrophobicContact CG-CD1 4.09Å; W122-F168 HydrophobicContact CG-CD2 4.3Å; W122-F168 AromaticContact CG-CG 3.85Å; W122-F168 HydrophobicContact CG-CG 3.85Å; W122-M212 HydrophobicContact CH2-CE 3.18Å; W122-M212 HydrophobicContact CZ2-CE 4.17Å; W122-M212 HydrophobicContact CZ3-CE 3.69Å; W122-W215 HydrophobicContact CE3-CH2 4.03Å; W122-W215 HydrophobicContact CE3-CZ3 4.18Å; W122-W215 HydrophobicContact CZ3-CZ3 4.34Å
123L90.6Very high92.9Very high27 Ų2738.9 Ų38.914%0.14121%0.212CC..  trans-82.725.4178.4-57.6-177.3000113.2F120 E121 H125 T126 C128 N130F120-L123 HydrophobicContact CE1-CD1 4.4Å; F120-L123 HydrophobicContact CE1-CD2 3.84Å; F120-L123 HydrophobicContact CE1-CG 4.17Å; F120-L123 HydrophobicContact CZ-CD2 4.03Å; E121-L123 HydrophobicContact CG-CD2 4.46Å; L123-H125 PolarHBondContact O-N 2.73Å; L123-T126 WeakPolarHBondContact O-CG2 3.04Å; L123-T126 PolarHBondContact O-N 3.37Å; L123-T126 VanDerWaalsContact O-N 3.09Å; L123-T126 PolarHBondContact O-OG1 2.81Å; L123-C128 HydrophobicContact CD1-CB 4.49Å; L123-C128 WeakPolarHBondContact CD1-O 3.32Å; L123-N130 WeakPolarHBondContact CD1-OD1 3.42Å
124F86.6Confident92.7Very high82 Ų8240.8 Ų40.836%0.3622%0.221SC..THydrogen-bonded Turntrans54.920.3173-54.5-95.3000115.8W122 T126 P196 W215 V219W122-F124 HydrophobicContact CE3-CD1 4.23Å; W122-F124 HydrophobicContact CE3-CG 4.48Å; W122-F124 HydrophobicContact CZ3-CB 4.49Å; W122-F124 HydrophobicContact CZ3-CD1 4.27Å; W122-F124 VanDerWaalsContact O-CD2 3.22Å; W122-F124 WeakPolarHBondContact O-CD2 3.26Å; W122-F124 VanDerWaalsContact O-CE2 3.31Å; W122-F124 WeakPolarHBondContact O-CE2 3.31Å; W122-F124 PolarHBondContact O-N 2.87Å; W122-F124 VanDerWaalsContact O-N 3.11Å; F124-T126 HydrophobicContact CB-CG2 4.1Å; F124-T126 PolarHBondContact O-N 3.1Å; F124-P196 HydrophobicContact CE2-CG 4.41Å; F124-P196 HydrophobicContact CZ-CG 4Å; F124-W215 HydrophobicContact CD1-CH2 4.12Å; F124-W215 AromaticContact CD1-CZ3 3.95Å; F124-W215 HydrophobicContact CD1-CZ3 3.95Å; F124-W215 AromaticContact CE1-CH2 3.44Å; F124-W215 HydrophobicContact CE1-CH2 3.44Å; F124-W215 VanDerWaalsContact CE1-CH2 3.44Å; F124-W215 AromaticContact CE1-CZ3 3.45Å; F124-W215 HydrophobicContact CE1-CZ3 3.45Å; F124-W215 VanDerWaalsContact CE1-CZ3 3.45Å; F124-W215 AromaticContact CZ-CH2 3.96Å; F124-W215 HydrophobicContact CZ-CH2 3.96Å; F124-W215 HydrophobicContact CZ-CZ3 4.37Å; F124-V219 HydrophobicContact CE1-CG1 4.41Å
125H81.6Confident92.5Very high111 Ų11142.7 Ų42.751%0.51423%0.232SC..THydrogen-bonded Turntrans55.931.4-174.7-149.282.3000113.3W122 L123 G127 N162 E163W122-H125 HydrophobicContact CZ2-CB 3.89Å; L123-H125 PolarHBondContact O-N 2.73Å; H125-G127 PolarHBondContact O-N 2.85Å; H125-N162 PolarHBondContact CE1-O 3.02Å; H125-N162 VanDerWaalsContact CE1-O 3.24Å; H125-N162 PolarHBondContact ND1-O 3.36Å; H125-E163 PolarHBondContact ND1-O 3.02Å
126T81.6Confident92.4Very high91 Ų9143.9 Ų43.956%0.55824%0.237SC*.SBendtrans-72.2-11178.657.70000113.2L123 F124 C128L123-T126 WeakPolarHBondContact O-CG2 3.04Å; L123-T126 PolarHBondContact O-N 3.37Å; L123-T126 VanDerWaalsContact O-N 3.09Å; L123-T126 PolarHBondContact O-OG1 2.81Å; F124-T126 HydrophobicContact CB-CG2 4.1Å; F124-T126 PolarHBondContact O-N 3.1Å; T126-C128 PolarHBondContact O-N 2.82Å; T126-C128 WeakPolarHBondContact OG1-CB 3.27Å; T126-C128 PolarHBondContact OG1-N 2.92Å; T126-C128 PolarHBondContact OG1-SG 3.05Å
127G77.9Confident92.3Very high50 Ų5046.4 Ų46.452%0.51525%0.253SS..  trans79.20.5-169.500000113.6H125 V129H125-G127 PolarHBondContact O-N 2.85Å; G127-V129 PolarHBondContact O-N 3.3Å
128C85.1Confident92.2Very high75 Ų7550 Ų5051%0.50727%0.272SS..PPolyproline II helixtrans-60.4134.3171.1-66.90000110.1L123 T126L123-C128 HydrophobicContact CD1-CB 4.49Å; L123-C128 WeakPolarHBondContact CD1-O 3.32Å; T126-C128 PolarHBondContact O-N 2.82Å; T126-C128 WeakPolarHBondContact OG1-CB 3.27Å; T126-C128 PolarHBondContact OG1-N 2.92Å; T126-C128 PolarHBondContact OG1-SG 3.05Å
129V89.4Confident92.1Very high108 Ų10850.4 Ų50.466%0.65527%0.274SS*.PPolyproline II helixtrans-73.6155.4173.4-63.10000110.6G127G127-V129 PolarHBondContact O-N 3.3Å
130N93.3Very high91.9Very high33 Ų3351.8 Ų51.818%0.17629%0.285CS..PPolyproline II helixtrans-60138.9173.7-71.9-43.2000110.4L123 L159 Y161L123-N130 WeakPolarHBondContact CD1-OD1 3.42Å; N130-L159 VanDerWaalsContact ND2-C 3.32Å; N130-L159 WeakPolarHBondContact ND2-CB 3.24Å; N130-L159 PolarHBondContact ND2-O 2.8Å; N130-Y161 PolarHBondContact ND2-N 3.32Å
131P94.3Very high91.7Very high16 Ų1659.4 Ų59.410%0.10432%0.319CS..PPolyproline II helixtrans-59.9152.2174.3-19.329.9000111.5T53 D54 F120 F133T53-P131 WeakPolarHBondContact O-CG 3.43Å; D54-P131 HydrophobicContact CB-CB 3.75Å; D54-P131 HydrophobicContact CB-CG 4.47Å; F120-P131 HydrophobicContact CZ-CG 4.08Å; P131-F133 HydrophobicContact CB-CD1 4.5Å; P131-F133 HydrophobicContact CB-CE1 4.13Å; P131-F133 HydrophobicContact CB-CZ 4.36Å; P131-F133 HydrophobicContact CG-CE1 4.19Å; P131-F133 HydrophobicContact CG-CZ 4.24Å; P131-F133 VanDerWaalsContact O-CD2 3.24Å; P131-F133 WeakPolarHBondContact O-CD2 3.26Å; P131-F133 WeakPolarHBondContact O-CE2 3.26Å; P131-F133 PolarHBondContact O-N 3.17Å
132R95.1Very high91.3Very high101 Ų10161 Ų6138%0.38134%0.344SS..  trans-80.687.6172.1-169177.865.686.61.1110R40 D50R40-R132 PolarHBondContact NH2-O 3.47Å; R40-R132 PolarHBondContact O-NH1 2.92Å; R40-R132 PolarHBondContact O-NH2 2.86Å; D50-R132 WeakPolarHBondContact OD1-CB 3.28Å; D50-R132 IonicContact OD1-CZ 2.71Å; D50-R132 IonicContact OD1-NE 3.74Å; D50-R132 PolarHBondContact OD1-NE 3.14Å; D50-R132 IonicContact OD1-NH2 3.82Å; D50-R132 IonicContact OD2-CZ 3.33Å; D50-R132 IonicContact OD2-NE 3.18Å; D50-R132 PolarHBondContact OD2-NE 2.88Å; D50-R132 IonicContact OD2-NH2 2.67Å; D50-R132 PolarHBondContact OD2-NH2 3.14Å
133F96.7Very high91.2Very high28 Ų2863.9 Ų63.912%0.12337%0.374CS..PPolyproline II helixtrans-58.7151.9-179.6-53.9-71.3000112.8P86 F120 P131 A156 L159P86-F133 HydrophobicContact CB-CB 4.2Å; P86-F133 HydrophobicContact CB-CD1 4.03Å; P86-F133 HydrophobicContact CB-CD2 4.19Å; P86-F133 HydrophobicContact CB-CE1 4.45Å; P86-F133 HydrophobicContact CB-CG 3.86Å; P86-F133 HydrophobicContact CG-CD1 4.19Å; P86-F133 HydrophobicContact CG-CD2 4.15Å; P86-F133 HydrophobicContact CG-CE1 4.12Å; P86-F133 HydrophobicContact CG-CE2 4.07Å; P86-F133 HydrophobicContact CG-CG 4.19Å; P86-F133 HydrophobicContact CG-CZ 4.04Å; P86-F133 WeakPolarHBondContact O-CD1 3.18Å; F120-F133 HydrophobicContact CD1-CZ 4.08Å; F120-F133 AromaticContact CD2-CE1 3.87Å; F120-F133 HydrophobicContact CD2-CE1 3.87Å; F120-F133 AromaticContact CD2-CZ 3.63Å; F120-F133 HydrophobicContact CD2-CZ 3.63Å; F120-F133 AromaticContact CE1-CZ 3.95Å; F120-F133 HydrophobicContact CE1-CZ 3.95Å; F120-F133 AromaticContact CE2-CE1 3.6Å; F120-F133 HydrophobicContact CE2-CE1 3.6Å; F120-F133 AromaticContact CE2-CZ 3.53Å; F120-F133 HydrophobicContact CE2-CZ 3.53Å; F120-F133 AromaticContact CG-CZ 3.93Å; F120-F133 HydrophobicContact CG-CZ 3.93Å; F120-F133 HydrophobicContact CZ-CE1 4.1Å; F120-F133 AromaticContact CZ-CZ 3.69Å; F120-F133 HydrophobicContact CZ-CZ 3.69Å; P131-F133 HydrophobicContact CB-CD1 4.5Å; P131-F133 HydrophobicContact CB-CE1 4.13Å; P131-F133 HydrophobicContact CB-CZ 4.36Å; P131-F133 HydrophobicContact CG-CE1 4.19Å; P131-F133 HydrophobicContact CG-CZ 4.24Å; P131-F133 VanDerWaalsContact O-CD2 3.24Å; P131-F133 WeakPolarHBondContact O-CD2 3.26Å; P131-F133 WeakPolarHBondContact O-CE2 3.26Å; P131-F133 PolarHBondContact O-N 3.17Å; F133-A156 HydrophobicContact CD2-CB 3.54Å; F133-A156 HydrophobicContact CE2-CB 4.07Å; F133-A156 HydrophobicContact CG-CB 4.25Å; F133-L159 HydrophobicContact CE2-CD1 4.19Å
134L95.7Very high91.3Very high39 Ų3964.7 Ų64.720%0.20438%0.379CS..PPolyproline II helixtrans-68.1137.7170.4-78.6169.5000110.4R40 W51 I88 L139R40-L134 HydrophobicContact CG-CD2 4.1Å; W51-L134 HydrophobicContact CH2-CD1 4.27Å; I88-L134 HydrophobicContact CD1-CD1 3.87Å; I88-L134 HydrophobicContact CG1-CD1 4.2Å; L134-L139 HydrophobicContact CB-CD1 4.46Å; L134-L139 HydrophobicContact CB-CD2 3.84Å; L134-L139 HydrophobicContact CB-CG 4Å; L134-L139 HydrophobicContact CD1-CD2 3.93Å
135H95.4Very high91.8Very high92 Ų9263 Ų6343%0.42638%0.376SS..PPolyproline II helixtrans-71145.2177.4-165.6-98.5000110.8T137 D138 L139H135-T137 PolarHBondContact ND1-N 3.18Å; H135-T137 PolarHBondContact ND1-OG1 2.88Å; H135-T137 PolarHBondContact O-N 3.38Å; H135-D138 PolarHBondContact O-N 3.21Å; H135-L139 PolarHBondContact O-N 3.36Å
136E96.6Very high92.6Very high31 Ų3158.2 Ų58.215%0.14535%0.354CS..Hα-helixtrans-56.9-36.3-176.2-68.781.2177.500112.1V115 D138 L139 A140 V146 L148 H155V115-E136 HydrophobicContact CB-CG 3.92Å; V115-E136 HydrophobicContact CG1-CG 4.43Å; V115-E136 HydrophobicContact CG2-CG 4.01Å; E136-D138 VanDerWaalsContact C-N 3.31Å; E136-D138 PolarHBondContact O-N 3Å; E136-L139 PolarHBondContact O-N 2.78Å; E136-A140 WeakPolarHBondContact O-CB 3.27Å; E136-A140 PolarHBondContact O-N 3.11Å; E136-V146 HydrophobicContact CB-CG1 3.94Å; E136-V146 HydrophobicContact CG-CG1 4.13Å; E136-L148 HydrophobicContact CB-CD2 3.8Å; E136-L148 WeakPolarHBondContact O-CD2 3.27Å; E136-H155 IonicContact OE2-NE2 3.34Å
137T96.3Very high93.4Very high53 Ų5355 Ų5533%0.32533%0.334SS..Hα-helixtrans-64.7-35.6175.658.30000112.5H135 K141 L148H135-T137 PolarHBondContact ND1-N 3.18Å; H135-T137 PolarHBondContact ND1-OG1 2.88Å; H135-T137 PolarHBondContact O-N 3.38Å; T137-K141 WeakPolarHBondContact O-CB 3.28Å; T137-K141 VanDerWaalsContact O-CG 3.22Å; T137-K141 WeakPolarHBondContact O-CG 3.48Å; T137-K141 PolarHBondContact O-N 3.24Å; T137-L148 HydrophobicContact CG2-CD2 4.39Å
138D95Very high94.4Very high77 Ų7757 Ų5741%0.41233%0.332SS..Hα-helixtrans-78.9-34.6-179.1-61.2-28.3000110.7H135 E136 A140 K141 G142H135-D138 PolarHBondContact O-N 3.21Å; E136-D138 VanDerWaalsContact C-N 3.31Å; E136-D138 PolarHBondContact O-N 3Å; D138-A140 VanDerWaalsContact C-N 3.35Å; D138-K141 PolarHBondContact O-N 2.91Å; D138-K141 IonicContact OD1-NZ 3.32Å; D138-K141 PolarHBondContact OD1-NZ 2.94Å; D138-G142 PolarHBondContact O-N 2.9Å
139L95.5Very high95Very high8 Ų860.1 Ų60.14%0.04234%0.343CS..Hα-helixtrans-58.7-46.1168-64.5168000111.1I88 V91 L134 H135 E136 G142 L144 V146I88-L139 HydrophobicContact CD1-CD2 3.56Å; V91-L139 HydrophobicContact CG1-CD1 4.07Å; V91-L139 HydrophobicContact CG1-CD2 4.31Å; V91-L139 HydrophobicContact CG2-CD1 4.33Å; L134-L139 HydrophobicContact CB-CD1 4.46Å; L134-L139 HydrophobicContact CB-CD2 3.84Å; L134-L139 HydrophobicContact CB-CG 4Å; L134-L139 HydrophobicContact CD1-CD2 3.93Å; H135-L139 PolarHBondContact O-N 3.36Å; E136-L139 PolarHBondContact O-N 2.78Å; L139-G142 PolarHBondContact O-N 3.34Å; L139-L144 HydrophobicContact CB-CD1 4.29Å; L139-L144 HydrophobicContact CD2-CD1 3.92Å; L139-L144 WeakPolarHBondContact O-CB 3.31Å; L139-L144 PolarHBondContact O-N 3.49Å; L139-V146 HydrophobicContact CB-CG2 3.83Å
140A95.5Very high95.4Very high30 Ų3057 Ų5725%0.24832%0.32CS..Hα-helixtrans-66.7-41.817800000112.9E136 D138 G142 G143 V146 L148E136-A140 WeakPolarHBondContact O-CB 3.27Å; E136-A140 PolarHBondContact O-N 3.11Å; D138-A140 VanDerWaalsContact C-N 3.35Å; A140-G142 PolarHBondContact O-N 3.28Å; A140-G143 WeakPolarHBondContact O-CA 3.4Å; A140-G143 PolarHBondContact O-N 3.25Å; A140-V146 HydrophobicContact CB-CB 4.5Å; A140-L148 HydrophobicContact CB-CD1 4.05Å; A140-L148 HydrophobicContact CB-CD2 4.03Å; A140-L148 HydrophobicContact CB-CG 4.23Å
141K92.9Very high95.6Very high162 Ų16263.2 Ų63.270%0.70435%0.346SS*.Hα-helixtrans-60-31.8172.4-74.5169.8-165.7161.80112.1T137 D138 G143T137-K141 WeakPolarHBondContact O-CB 3.28Å; T137-K141 VanDerWaalsContact O-CG 3.22Å; T137-K141 WeakPolarHBondContact O-CG 3.48Å; T137-K141 PolarHBondContact O-N 3.24Å; D138-K141 PolarHBondContact O-N 2.91Å; D138-K141 IonicContact OD1-NZ 3.32Å; D138-K141 PolarHBondContact OD1-NZ 2.94Å; K141-G143 PolarHBondContact O-N 2.67Å
142G89.2Confident95.7Very high64 Ų6463.8 Ų63.866%0.6635%0.35SS*.THydrogen-bonded Turntrans-70.1-0.3171.900000114.7D138 L139 A140D138-G142 PolarHBondContact O-N 2.9Å; L139-G142 PolarHBondContact O-N 3.34Å; A140-G142 PolarHBondContact O-N 3.28Å
143G90.6Very high95.9Very high64 Ų6463.6 Ų63.666%0.6635%0.35SS*.THydrogen-bonded Turntrans86.17.5179.200000114.6A140 K141A140-G143 WeakPolarHBondContact O-CA 3.4Å; A140-G143 PolarHBondContact O-N 3.25Å; K141-G143 PolarHBondContact O-N 2.67Å
144L93.8Very high95.9Very high44 Ų4463.8 Ų63.823%0.2335%0.352CS..  trans-75.9139.4175.1-59.6-178.8000110.3V91 C95 L139 V146V91-L144 HydrophobicContact CG1-CD1 4.15Å; C95-L144 HydrophobicContact CB-CD2 3.97Å; L139-L144 HydrophobicContact CB-CD1 4.29Å; L139-L144 HydrophobicContact CD2-CD1 3.92Å; L139-L144 WeakPolarHBondContact O-CB 3.31Å; L139-L144 PolarHBondContact O-N 3.49Å; L144-V146 HydrophobicContact CB-CG2 4.11Å; L144-V146 PolarHBondContact O-N 3.4Å
145P96.8Very high96Very high47 Ų4764.8 Ų64.831%0.30536%0.355SS..  trans-75.960.2-177.533.2-38.3000111.9C95 V98 K112 V113C95-P145 HydrophobicContact CB-CG 4.41Å; V98-P145 HydrophobicContact CG1-CG 4.37Å; K112-P145 CarbonylContact C-O 3.54Å; K112-P145 WeakPolarHBondContact CA-O 3.31Å; K112-P145 WeakPolarHBondContact CB-O 3.42Å; V113-P145 PolarHBondContact N-O 2.96Å
146V98.4Very high95.9Very high9 Ų960.8 Ų60.86%0.05534%0.339CS..BIsolated β-bridgetrans-82136.8179.7179.40000110.8V91 V113 V115 E136 L139 A140 L144 L148V91-V146 HydrophobicContact CG1-CG2 4.45Å; V113-V146 WeakPolarHBondContact O-CA 3.3Å; V115-V146 HydrophobicContact CG2-CG1 4.1Å; E136-V146 HydrophobicContact CB-CG1 3.94Å; E136-V146 HydrophobicContact CG-CG1 4.13Å; L139-V146 HydrophobicContact CB-CG2 3.83Å; A140-V146 HydrophobicContact CB-CB 4.5Å; L144-V146 HydrophobicContact CB-CG2 4.11Å; L144-V146 PolarHBondContact O-N 3.4Å; V146-L148 HydrophobicContact CG1-CD2 4.26Å; V146-L148 PolarHBondContact O-N 3.48Å
147D98.4Very high95.7Very high24 Ų2464.6 Ų64.613%0.12836%0.364CS..  trans-82.793.1175.1-168.5-0.9000111K112 V113 R114 N149 Y150K112-D147 HydrophobicContact CB-CB 3.73Å; K112-D147 HydrophobicContact CD-CB 4.19Å; V113-D147 PolarHBondContact O-N 2.92Å; R114-D147 HydrophobicContact CG-CB 3.89Å; R114-D147 IonicContact NE-OD2 2.73Å; R114-D147 PolarHBondContact NE-OD2 3.47Å; D147-N149 PolarHBondContact O-N 3.43Å; D147-N149 PolarHBondContact OD1-N 3.15Å; D147-Y150 PolarHBondContact O-N 3.13Å
148L98Very high95.7Very high92 Ų9269.5 Ų69.548%0.48238%0.381SS..THydrogen-bonded Turntrans-68.4-10.6179-59.6-177.4000114.2E136 T137 A140 V146E136-L148 HydrophobicContact CB-CD2 3.8Å; E136-L148 WeakPolarHBondContact O-CD2 3.27Å; T137-L148 HydrophobicContact CG2-CD2 4.39Å; A140-L148 HydrophobicContact CB-CD1 4.05Å; A140-L148 HydrophobicContact CB-CD2 4.03Å; A140-L148 HydrophobicContact CB-CG 4.23Å; V146-L148 HydrophobicContact CG1-CD2 4.26Å; V146-L148 PolarHBondContact O-N 3.48Å
149N97.5Very high95.6Very high140 Ų14066.4 Ų66.475%0.74936%0.364SS*.THydrogen-bonded Turntrans-92.5-11.1178.3-64.7-35.5000112.5D147D147-N149 PolarHBondContact O-N 3.43Å; D147-N149 PolarHBondContact OD1-N 3.15Å
150Y97.9Very high95.5Very high42 Ų4271.6 Ų71.617%0.16539%0.388CS..  trans-69.7133.1177.2176.4-111.9000110.7Y83 R114 V115 E116 D147 Y178Y83-Y150 HydrophobicContact CD1-CE1 4.42Å; Y83-Y150 HydrophobicContact CD1-CE2 4.48Å; Y83-Y150 HydrophobicContact CE1-CD2 4.34Å; Y83-Y150 HydrophobicContact CE1-CE1 4.32Å; Y83-Y150 AromaticContact CE1-CE2 3.63Å; Y83-Y150 HydrophobicContact CE1-CE2 3.63Å; Y83-Y150 AromaticContact CE1-CZ 3.61Å; R114-Y150 HydrophobicContact CB-CD1 3.66Å; R114-Y150 HydrophobicContact CB-CD2 4.17Å; R114-Y150 HydrophobicContact CB-CE1 4.08Å; R114-Y150 HydrophobicContact CB-CG 3.7Å; R114-Y150 HydrophobicContact CG-CD1 4.27Å; R114-Y150 HydrophobicContact CG-CD2 4.07Å; R114-Y150 HydrophobicContact CG-CG 3.78Å; V115-Y150 WeakPolarHBondContact O-CD1 3.3Å; V115-Y150 VanDerWaalsContact O-CE1 3.28Å; V115-Y150 WeakPolarHBondContact O-CE1 3.44Å; E116-Y150 HydrophobicContact CB-CE1 4.31Å; E116-Y150 PolarHBondContact OE2-OH 3.17Å; D147-Y150 PolarHBondContact O-N 3.13Å; Y150-Y178 HydrophobicContact CE2-CE1 4.31Å
151K97.3Very high95.2Very high165 Ų16575 Ų7572%0.71740%0.395SS*.  trans-101.6114.9171.8-65.2-177.7-179.2-179.90107.9Y178K151-Y178 WeakPolarHBondContact O-CE1 3.33Å; K151-Y178 PolarHBondContact O-OH 2.95Å
152S98Very high95.2Very high28 Ų2870.8 Ų70.820%0.19638%0.381CS..  trans-67146.8177590000111.8E116 H155E116-S152 WeakPolarHBondContact OE2-CA 3.3Å; E116-S152 WeakPolarHBondContact OE2-CB 3.29Å; S152-H155 WeakPolarHBondContact OG-CA 3.35Å; S152-H155 PolarHBondContact OG-N 3.38Å
153Y98.2Very high95.4Very high97 Ų9768.5 Ų68.538%0.3835%0.353SS..SBendtrans-59.7-51.2166.5176-125.7000110.6E116 E174 T175 Y178E116-Y153 PolarHBondContact OE1-N 3.44Å; E116-Y153 PolarHBondContact OE2-N 3.39Å; Y153-E174 HydrophobicContact CE1-CB 3.59Å; Y153-T175 WeakPolarHBondContact CD1-OG1 3.37Å; Y153-Y178 AromaticContact CD2-CD2 3.84Å; Y153-Y178 HydrophobicContact CD2-CD2 3.84Å; Y153-Y178 AromaticContact CD2-CG 3.98Å; Y153-Y178 HydrophobicContact CD2-CG 3.98Å; Y153-Y178 HydrophobicContact CG-CD2 4.32Å; Y153-Y178 HydrophobicContact CG-CG 4Å
154I97.5Very high95.5Very high31 Ų3168.4 Ų68.416%0.15934%0.339CS..SBendtrans-123.6114.6174.8-66.4162.7000107.4E116 G117 K158 L159 R171E116-I154 PolarHBondContact OE1-N 2.81Å; G117-I154 WeakPolarHBondContact CA-O 3.35Å; G117-I154 PolarHBondContact N-O 3.18Å; I154-K158 HydrophobicContact CG2-CB 4.45Å; I154-L159 HydrophobicContact CG2-CD2 3.81Å; I154-L159 HydrophobicContact CG2-CG 4.12Å; I154-R171 HydrophobicContact CD1-CG 3.57Å
155H96.7Very high95.5Very high60 Ų6067.5 Ų67.528%0.27833%0.334SS..  trans-67.3143.8170.7-171.5-98.2000109.8E136 S152 T157 K158E136-H155 IonicContact OE2-NE2 3.34Å; S152-H155 WeakPolarHBondContact OG-CA 3.35Å; S152-H155 PolarHBondContact OG-N 3.38Å; H155-T157 PolarHBondContact ND1-N 3.48Å; H155-T157 PolarHBondContact ND1-OG1 3.06Å; H155-T157 PolarHBondContact O-N 3.43Å; H155-T157 VanDerWaalsContact O-N 3.1Å; H155-K158 HydrophobicContact CB-CG 4.44Å; H155-K158 WeakPolarHBondContact O-CA 3.38Å; H155-K158 WeakPolarHBondContact O-CB 3.5Å; H155-K158 PolarHBondContact O-N 3.48Å
156A93.8Very high95.3Very high9 Ų972.5 Ų72.57%0.07435%0.353CS..G310 helixtrans-57.1-33.8-17300000113.4P86 F133 K158 L159P86-A156 HydrophobicContact CB-CB 3.61Å; P86-A156 HydrophobicContact CG-CB 3.7Å; F133-A156 HydrophobicContact CD2-CB 3.54Å; F133-A156 HydrophobicContact CE2-CB 4.07Å; F133-A156 HydrophobicContact CG-CB 4.25Å; A156-K158 PolarHBondContact O-N 3.21Å; A156-L159 WeakPolarHBondContact O-CB 3.46Å; A156-L159 PolarHBondContact O-N 3.24Å
157T93.5Very high95.1Very high110 Ų11076.9 Ų76.968%0.67537%0.373SS*.G310 helixtrans-71.2-8.7176.663.50000114.5H155H155-T157 PolarHBondContact ND1-N 3.48Å; H155-T157 PolarHBondContact ND1-OG1 3.06Å; H155-T157 PolarHBondContact O-N 3.43Å; H155-T157 VanDerWaalsContact O-N 3.1Å
158K94.9Very high95Very high156 Ų15675.9 Ų75.968%0.67837%0.367SS*.G310 helixtrans-104.62.6177.9-60.1-60.2-174.3-178.40112.9I154 H155 A156I154-K158 HydrophobicContact CG2-CB 4.45Å; H155-K158 HydrophobicContact CB-CG 4.44Å; H155-K158 WeakPolarHBondContact O-CA 3.38Å; H155-K158 WeakPolarHBondContact O-CB 3.5Å; H155-K158 PolarHBondContact O-N 3.48Å; A156-K158 PolarHBondContact O-N 3.21Å
159L94.3Very high94.8Very high13 Ų1372.1 Ų72.17%0.06835%0.348CS..  trans-64.7135175.1-74168.1000110.8G117 F120 N130 F133 I154 A156G117-L159 WeakPolarHBondContact O-CD2 3.49Å; F120-L159 HydrophobicContact CB-CD1 3.63Å; F120-L159 HydrophobicContact CD1-CD1 4Å; F120-L159 HydrophobicContact CG-CD1 4.05Å; N130-L159 VanDerWaalsContact ND2-C 3.32Å; N130-L159 WeakPolarHBondContact ND2-CB 3.24Å; N130-L159 PolarHBondContact ND2-O 2.8Å; F133-L159 HydrophobicContact CE2-CD1 4.19Å; I154-L159 HydrophobicContact CG2-CD2 3.81Å; I154-L159 HydrophobicContact CG2-CG 4.12Å; A156-L159 WeakPolarHBondContact O-CB 3.46Å; A156-L159 PolarHBondContact O-N 3.24Å
160Q92.7Very high94.7Very high116 Ų11669 Ų6954%0.54233%0.334SS..  trans-81.2126.6172.3-62.6-62.4-22.300108.4E163Q160-E163 HydrophobicContact CB-CG 3.56Å; Q160-E163 WeakPolarHBondContact O-CG 3.37Å
161Y89.3Confident94.7Very high101 Ų10167.9 Ų67.940%0.39633%0.329SS..THydrogen-bonded Turntrans-84-23.1-175.468.9-86.9000112.7N130N130-Y161 PolarHBondContact ND2-N 3.32Å
162N91.6Very high94.7Very high74 Ų7460 Ų6040%0.39630%0.295SS..THydrogen-bonded Turntrans-105.422.2-174.365.1-28.4000113.2H125 T164H125-N162 PolarHBondContact CE1-O 3.02Å; H125-N162 VanDerWaalsContact CE1-O 3.24Å; H125-N162 PolarHBondContact ND1-O 3.36Å; N162-T164 PolarHBondContact O-N 3.41Å
163E93.5Very high94.7Very high17 Ų1759.3 Ų59.38%0.07929%0.29CS..  trans-52.2142.4177.9-67173.8144.700111W122 H125 Q160 E167 R171W122-E163 PolarHBondContact NE1-O 3.07Å; H125-E163 PolarHBondContact ND1-O 3.02Å; Q160-E163 HydrophobicContact CB-CG 3.56Å; Q160-E163 WeakPolarHBondContact O-CG 3.37Å; E163-E167 HydrophobicContact CB-CB 4.07Å; E163-E167 HydrophobicContact CG-CB 4.31Å; E163-R171 VanDerWaalsContact CD-NE 3.28Å; E163-R171 VanDerWaalsContact OE1-CD 3.26Å; E163-R171 WeakPolarHBondContact OE1-CD 3.29Å; E163-R171 IonicContact OE1-CZ 3.68Å; E163-R171 IonicContact OE1-NE 3Å; E163-R171 PolarHBondContact OE1-NE 2.91Å; E163-R171 IonicContact OE2-CZ 2.61Å; E163-R171 VanDerWaalsContact OE2-CZ 3.24Å; E163-R171 IonicContact OE2-NE 3.96Å; E163-R171 PolarHBondContact OE2-NE 3.16Å; E163-R171 IonicContact OE2-NH2 2.67Å; E163-R171 PolarHBondContact OE2-NH2 2.82Å
164T93.5Very high94.7Very high61 Ų6157.6 Ų57.637%0.37429%0.285SS..  trans-69.7165.8161.762.70000110N162 E166 E167 F168N162-T164 PolarHBondContact O-N 3.41Å; T164-E166 PolarHBondContact O-N 3.08Å; T164-E167 WeakPolarHBondContact CB-OE2 3.45Å; T164-E167 WeakPolarHBondContact CG2-OE2 3.41Å; T164-E167 PolarHBondContact N-OE2 3.44Å; T164-E167 PolarHBondContact O-N 2.92Å; T164-E167 VanDerWaalsContact OG1-CG 3.3Å; T164-E167 WeakPolarHBondContact OG1-CG 3.33Å; T164-E167 PolarHBondContact OG1-N 3.3Å; T164-E167 PolarHBondContact OG1-OE2 2.71Å; T164-F168 WeakPolarHBondContact O-CB 3.38Å; T164-F168 PolarHBondContact O-N 2.99Å
165F92.9Very high94.7Very high26 Ų2656.1 Ų56.111%0.11428%0.278CS..Hα-helixtrans-60.3-33.8174.4-178-111.8000112.2W122 F168 N169 M212 W215W122-F165 AromaticContact CE3-CD2 3.94Å; W122-F165 HydrophobicContact CE3-CD2 3.94Å; W122-F165 HydrophobicContact CH2-CB 4.14Å; W122-F165 HydrophobicContact CZ2-CB 4.21Å; W122-F165 HydrophobicContact CZ3-CB 4.36Å; W122-F165 AromaticContact CZ3-CD2 3.99Å; W122-F165 HydrophobicContact CZ3-CD2 3.99Å; F165-F168 HydrophobicContact CD2-CD1 4.2Å; F165-F168 HydrophobicContact CE2-CD1 4.35Å; F165-N169 VanDerWaalsContact CE1-ND2 3.29Å; F165-N169 WeakPolarHBondContact CE1-ND2 3.4Å; F165-N169 VanDerWaalsContact CZ-ND2 3.3Å; F165-N169 WeakPolarHBondContact CZ-ND2 3.3Å; F165-N169 PolarHBondContact O-N 3.3Å; F165-N169 PolarHBondContact O-ND2 2.74Å; F165-M212 HydrophobicContact CB-CE 3.9Å; F165-M212 HydrophobicContact CB-CG 4.46Å; F165-M212 HydrophobicContact CB-SD 4.39Å; F165-M212 HydrophobicContact CD1-CB 3.95Å; F165-M212 HydrophobicContact CD1-CG 4.17Å; F165-M212 HydrophobicContact CD2-CG 4.49Å; F165-M212 HydrophobicContact CE1-CB 4.1Å; F165-M212 HydrophobicContact CG-CB 4.41Å; F165-M212 HydrophobicContact CG-CE 4.44Å; F165-M212 HydrophobicContact CG-CG 4.12Å; F165-W215 HydrophobicContact CE2-CB 4.34Å; F165-W215 AromaticContact CE2-CD1 3.91Å; F165-W215 AromaticContact CE2-CD2 3.71Å; F165-W215 HydrophobicContact CE2-CD2 3.71Å; F165-W215 AromaticContact CE2-CE2 3.85Å; F165-W215 HydrophobicContact CE2-CE3 4.19Å; F165-W215 AromaticContact CE2-CG 3.75Å; F165-W215 HydrophobicContact CE2-CG 3.75Å; F165-W215 HydrophobicContact CE2-CZ2 4.41Å; F165-W215 AromaticContact CE2-NE1 3.97Å; F165-W215 HydrophobicContact CZ-CB 3.98Å; F165-W215 AromaticContact CZ-CD1 3.86Å; F165-W215 HydrophobicContact CZ-CD2 4.22Å; F165-W215 AromaticContact CZ-CG 3.76Å; F165-W215 HydrophobicContact CZ-CG 3.76Å
166E93Very high94.8Very high151 Ų15153.4 Ų53.471%0.70627%0.265SS*.Hα-helixtrans-69.2-48.5177.5-174.8170.2-174.200111.5T164 F168 N169 T170T164-E166 PolarHBondContact O-N 3.08Å; E166-F168 VanDerWaalsContact C-N 3.31Å; E166-F168 PolarHBondContact O-N 3.05Å; E166-N169 PolarHBondContact O-N 3.36Å; E166-N169 VanDerWaalsContact O-N 3.14Å; E166-T170 PolarHBondContact O-N 2.83Å; E166-T170 PolarHBondContact O-OG1 2.75Å; E166-T170 VanDerWaalsContact O-OG1 3.14Å
167E95.1Very high94.9Very high102 Ų10258.9 Ų58.948%0.47728%0.284SS..Hα-helixtrans-59.5-41.4176.6-71.5162.9143.500112E163 T164 N169 T170 R171E163-E167 HydrophobicContact CB-CB 4.07Å; E163-E167 HydrophobicContact CG-CB 4.31Å; T164-E167 WeakPolarHBondContact CB-OE2 3.45Å; T164-E167 WeakPolarHBondContact CG2-OE2 3.41Å; T164-E167 PolarHBondContact N-OE2 3.44Å; T164-E167 PolarHBondContact O-N 2.92Å; T164-E167 VanDerWaalsContact OG1-CG 3.3Å; T164-E167 WeakPolarHBondContact OG1-CG 3.33Å; T164-E167 PolarHBondContact OG1-N 3.3Å; T164-E167 PolarHBondContact OG1-OE2 2.71Å; E167-N169 PolarHBondContact O-N 3.25Å; E167-T170 PolarHBondContact O-N 2.84Å; E167-R171 VanDerWaalsContact O-CB 3.31Å; E167-R171 WeakPolarHBondContact O-CB 3.22Å; E167-R171 PolarHBondContact O-N 2.77Å
168F95.1Very high95.2Very high2 Ų257.2 Ų57.21%0.00927%0.266CS..Hα-helixtrans-56.3-49173160.8-115.9000112.5W122 T164 F165 E166 G172 P196 N197 W215W122-F168 HydrophobicContact CB-CB 4.19Å; W122-F168 HydrophobicContact CB-CD1 3.76Å; W122-F168 HydrophobicContact CB-CD2 3.63Å; W122-F168 HydrophobicContact CB-CE1 3.95Å; W122-F168 HydrophobicContact CB-CE2 3.83Å; W122-F168 HydrophobicContact CB-CG 3.57Å; W122-F168 HydrophobicContact CB-CZ 3.97Å; W122-F168 HydrophobicContact CG-CB 3.95Å; W122-F168 HydrophobicContact CG-CD1 4.09Å; W122-F168 HydrophobicContact CG-CD2 4.3Å; W122-F168 AromaticContact CG-CG 3.85Å; W122-F168 HydrophobicContact CG-CG 3.85Å; T164-F168 WeakPolarHBondContact O-CB 3.38Å; T164-F168 PolarHBondContact O-N 2.99Å; F165-F168 HydrophobicContact CD2-CD1 4.2Å; F165-F168 HydrophobicContact CE2-CD1 4.35Å; E166-F168 VanDerWaalsContact C-N 3.31Å; E166-F168 PolarHBondContact O-N 3.05Å; F168-G172 PolarHBondContact O-N 3.43Å; F168-P196 HydrophobicContact CZ-CB 4.11Å; F168-N197 VanDerWaalsContact CE2-OD1 3.26Å; F168-N197 WeakPolarHBondContact CE2-OD1 3.43Å; F168-N197 WeakPolarHBondContact CZ-OD1 3.39Å; F168-W215 HydrophobicContact CE1-CZ2 4.32Å
169N95Very high95.3Very high13 Ų1350 Ų507%0.0723%0.234CC..Hα-helixtrans-65.2-43.4178.9-77.8-72.6000111.1F165 E166 E167 G172 V173F165-N169 VanDerWaalsContact CE1-ND2 3.29Å; F165-N169 WeakPolarHBondContact CE1-ND2 3.4Å; F165-N169 VanDerWaalsContact CZ-ND2 3.3Å; F165-N169 WeakPolarHBondContact CZ-ND2 3.3Å; F165-N169 PolarHBondContact O-N 3.3Å; F165-N169 PolarHBondContact O-ND2 2.74Å; E166-N169 PolarHBondContact O-N 3.36Å; E166-N169 VanDerWaalsContact O-N 3.14Å; E167-N169 PolarHBondContact O-N 3.25Å; N169-G172 PolarHBondContact O-N 3.38Å; N169-V173 WeakPolarHBondContact O-CG2 3.15Å; N169-V173 PolarHBondContact O-N 2.7Å
170T95.9Very high95.4Very high76 Ų7651.3 Ų51.347%0.46624%0.241SC..Hα-helixtrans-60.4-48.6177.4-640000111E166 E167 G172 V173 E174E166-T170 PolarHBondContact O-N 2.83Å; E166-T170 PolarHBondContact O-OG1 2.75Å; E166-T170 VanDerWaalsContact O-OG1 3.14Å; E167-T170 PolarHBondContact O-N 2.84Å; T170-G172 VanDerWaalsContact C-N 3.32Å; T170-G172 PolarHBondContact O-N 3.49Å; T170-V173 PolarHBondContact O-N 2.8Å; T170-E174 HydrophobicContact CG2-CG 4.45Å; T170-E174 WeakPolarHBondContact O-CG 3.31Å; T170-E174 PolarHBondContact O-N 3.28Å
171R97.2Very high95.5Very high17 Ų1753.7 Ų53.76%0.06425%0.249CC..Hα-helixtrans-52.2-51174.3167.9169.261.281.7-13.6111.3G118 F120 I154 E163 E167 V173 E174 T175G118-R171 PolarHBondContact O-NH1 2.96Å; F120-R171 PolarHBondContact O-NH1 3.31Å; F120-R171 PolarHBondContact O-NH2 3.14Å; I154-R171 HydrophobicContact CD1-CG 3.57Å; E163-R171 VanDerWaalsContact CD-NE 3.28Å; E163-R171 VanDerWaalsContact OE1-CD 3.26Å; E163-R171 WeakPolarHBondContact OE1-CD 3.29Å; E163-R171 IonicContact OE1-CZ 3.68Å; E163-R171 IonicContact OE1-NE 3Å; E163-R171 PolarHBondContact OE1-NE 2.91Å; E163-R171 IonicContact OE2-CZ 2.61Å; E163-R171 VanDerWaalsContact OE2-CZ 3.24Å; E163-R171 IonicContact OE2-NE 3.96Å; E163-R171 PolarHBondContact OE2-NE 3.16Å; E163-R171 IonicContact OE2-NH2 2.67Å; E163-R171 PolarHBondContact OE2-NH2 2.82Å; E167-R171 VanDerWaalsContact O-CB 3.31Å; E167-R171 WeakPolarHBondContact O-CB 3.22Å; E167-R171 PolarHBondContact O-N 2.77Å; R171-V173 PolarHBondContact O-N 2.52Å; R171-E174 PolarHBondContact O-N 2.45Å; R171-T175 WeakPolarHBondContact O-CB 3.28Å; R171-T175 PolarHBondContact O-N 3.39Å; R171-T175 PolarHBondContact O-OG1 2.96Å
172G97.3Very high95.7Very high0 Ų054.4 Ų54.40%026%0.26CS..Hα-helixtrans-62.3-42.1-179.300000112.5F168 N169 T170 T175 I176 L200F168-G172 PolarHBondContact O-N 3.43Å; N169-G172 PolarHBondContact O-N 3.38Å; T170-G172 VanDerWaalsContact C-N 3.32Å; T170-G172 PolarHBondContact O-N 3.49Å; G172-T175 WeakPolarHBondContact O-CB 3.47Å; G172-T175 PolarHBondContact O-N 3.47Å; G172-I176 WeakPolarHBondContact O-CG1 3.26Å; G172-I176 PolarHBondContact O-N 3.33Å; G172-L200 VanDerWaalsContact C-CD1 3.41Å
173V97.1Very high95.9Very high13 Ų1352 Ų528%0.07925%0.247CC..Hα-helixtrans-64.9-46.2179.7168.90000111.1N169 T170 R171 T175 I176 R177 L200 K203 Y204N169-V173 WeakPolarHBondContact O-CG2 3.15Å; N169-V173 PolarHBondContact O-N 2.7Å; T170-V173 PolarHBondContact O-N 2.8Å; R171-V173 PolarHBondContact O-N 2.52Å; V173-T175 VanDerWaalsContact C-N 3.25Å; V173-T175 PolarHBondContact O-N 2.81Å; V173-I176 PolarHBondContact O-N 3.01Å; V173-R177 WeakPolarHBondContact O-CG 3.36Å; V173-R177 PolarHBondContact O-N 3.21Å; V173-L200 HydrophobicContact CG2-CD1 4.28Å; V173-K203 HydrophobicContact CG2-CB 3.64Å; V173-Y204 HydrophobicContact CG1-CD2 4.43Å
174E98.2Very high96Very high61 Ų6154.4 Ų54.429%0.28526%0.264SS..Hα-helixtrans-62.9-34.9176-66.8-47.2127.100112.1Y153 T170 R171 R177 Y178Y153-E174 HydrophobicContact CE1-CB 3.59Å; T170-E174 HydrophobicContact CG2-CG 4.45Å; T170-E174 WeakPolarHBondContact O-CG 3.31Å; T170-E174 PolarHBondContact O-N 3.28Å; R171-E174 PolarHBondContact O-N 2.45Å; E174-R177 PolarHBondContact O-N 2.91Å; E174-R177 IonicContact OE1-CZ 2.81Å; E174-R177 IonicContact OE1-NH1 3.6Å; E174-R177 PolarHBondContact OE1-NH1 2.61Å; E174-Y178 WeakPolarHBondContact O-CB 3.23Å; E174-Y178 PolarHBondContact O-N 3.22Å
175T98.6Very high95.9Very high0 Ų058.5 Ų58.50%029%0.289CS..Hα-helixtrans-62.3-46.6174.1-56.80000111.6E116 G118 L119 Y153 R171 G172 V173 R177 Y178 I179E116-T175 HydrophobicContact CG-CG2 3.29Å; G118-T175 WeakPolarHBondContact CA-OG1 3.31Å; L119-T175 HydrophobicContact CD2-CG2 4.11Å; L119-T175 HydrophobicContact CG-CG2 4.2Å; Y153-T175 WeakPolarHBondContact CD1-OG1 3.37Å; R171-T175 WeakPolarHBondContact O-CB 3.28Å; R171-T175 PolarHBondContact O-N 3.39Å; R171-T175 PolarHBondContact O-OG1 2.96Å; G172-T175 WeakPolarHBondContact O-CB 3.47Å; G172-T175 PolarHBondContact O-N 3.47Å; V173-T175 VanDerWaalsContact C-N 3.25Å; V173-T175 PolarHBondContact O-N 2.81Å; T175-R177 VanDerWaalsContact C-N 3.34Å; T175-Y178 PolarHBondContact O-N 3.44Å; T175-I179 HydrophobicContact CG2-CD1 4.13Å; T175-I179 WeakPolarHBondContact O-CG1 3.09Å; T175-I179 PolarHBondContact O-N 3.23Å
176I97.8Very high95.9Very high3 Ų360.9 Ų60.92%0.01532%0.321CS..Hα-helixtrans-65.2-40.5176.7-64.6179.3000110.3G172 V173 Y178 I179 M180 L191 L200 F201 Y204G172-I176 WeakPolarHBondContact O-CG1 3.26Å; G172-I176 PolarHBondContact O-N 3.33Å; V173-I176 PolarHBondContact O-N 3.01Å; I176-Y178 VanDerWaalsContact C-N 3.33Å; I176-Y178 PolarHBondContact O-N 2.67Å; I176-I179 PolarHBondContact O-N 3.11Å; I176-M180 HydrophobicContact CG2-CG 3.85Å; I176-M180 WeakPolarHBondContact O-CB 3.37Å; I176-M180 WeakPolarHBondContact O-CG 3.5Å; I176-M180 PolarHBondContact O-N 2.96Å; I176-L191 HydrophobicContact CD1-CD1 4.25Å; I176-L191 HydrophobicContact CG1-CD1 4.23Å; I176-L200 HydrophobicContact CD1-CD1 4.33Å; I176-L200 HydrophobicContact CD1-CD2 3.73Å; I176-L200 HydrophobicContact CD1-CG 3.61Å; I176-L200 HydrophobicContact CG1-CD2 4.29Å; I176-F201 HydrophobicContact CD1-CD2 4Å; I176-F201 HydrophobicContact CG2-CE2 4.25Å; I176-Y204 HydrophobicContact CB-CD2 3.81Å; I176-Y204 HydrophobicContact CB-CE2 4.2Å; I176-Y204 HydrophobicContact CB-CG 4.17Å; I176-Y204 HydrophobicContact CG2-CD1 3.89Å; I176-Y204 HydrophobicContact CG2-CD2 3.49Å; I176-Y204 VanDerWaalsContact CG2-CD2 3.49Å; I176-Y204 HydrophobicContact CG2-CE1 3.96Å; I176-Y204 HydrophobicContact CG2-CE2 3.58Å; I176-Y204 HydrophobicContact CG2-CG 3.66Å
177R97.4Very high96.1Very high124 Ų12455.3 Ų55.347%0.46830%0.299SS..Hα-helixtrans-57.8-45.7174.6-73.4174.2176.4156.91.1111.9V173 E174 T175 M180 K181 Y204V173-R177 WeakPolarHBondContact O-CG 3.36Å; V173-R177 PolarHBondContact O-N 3.21Å; E174-R177 PolarHBondContact O-N 2.91Å; E174-R177 IonicContact OE1-CZ 2.81Å; E174-R177 IonicContact OE1-NH1 3.6Å; E174-R177 PolarHBondContact OE1-NH1 2.61Å; T175-R177 VanDerWaalsContact C-N 3.34Å; R177-M180 PolarHBondContact O-N 2.88Å; R177-K181 PolarHBondContact O-N 3.18Å; R177-K181 VanDerWaalsContact O-N 3.15Å; R177-Y204 HydrophobicContact CG-CD2 4.06Å; R177-Y204 HydrophobicContact CG-CE2 3.7Å
178Y98.6Very high96.2Very high76 Ų7653.1 Ų53.130%0.29829%0.292SS..Hα-helixtrans-60-49.3175.9178.2-91.7000111.7Y150 K151 Y153 E174 T175 I176 M180 K181Y150-Y178 HydrophobicContact CE2-CE1 4.31Å; K151-Y178 WeakPolarHBondContact O-CE1 3.33Å; K151-Y178 PolarHBondContact O-OH 2.95Å; Y153-Y178 AromaticContact CD2-CD2 3.84Å; Y153-Y178 HydrophobicContact CD2-CD2 3.84Å; Y153-Y178 AromaticContact CD2-CG 3.98Å; Y153-Y178 HydrophobicContact CD2-CG 3.98Å; Y153-Y178 HydrophobicContact CG-CD2 4.32Å; Y153-Y178 HydrophobicContact CG-CG 4Å; E174-Y178 WeakPolarHBondContact O-CB 3.23Å; E174-Y178 PolarHBondContact O-N 3.22Å; T175-Y178 PolarHBondContact O-N 3.44Å; I176-Y178 VanDerWaalsContact C-N 3.33Å; I176-Y178 PolarHBondContact O-N 2.67Å; Y178-M180 PolarHBondContact O-N 3.34Å; Y178-K181 WeakPolarHBondContact O-CB 3.43Å; Y178-K181 PolarHBondContact O-N 3.21Å
179I97.9Very high96.3Very high3 Ų354.7 Ų54.72%0.01530%0.302CS..Hα-helixtrans-57.5-52.7178.6-72.9170.2000110.4Y83 E116 L119 T175 I176 K181 I183 V189 L191Y83-I179 HydrophobicContact CD1-CD1 3.69Å; Y83-I179 HydrophobicContact CD1-CG1 3.86Å; Y83-I179 HydrophobicContact CD1-CG2 4.42Å; Y83-I179 HydrophobicContact CD2-CG2 4.04Å; Y83-I179 HydrophobicContact CE1-CB 4.36Å; Y83-I179 HydrophobicContact CE1-CD1 4.06Å; Y83-I179 HydrophobicContact CE1-CG1 3.69Å; Y83-I179 HydrophobicContact CE1-CG2 3.97Å; Y83-I179 HydrophobicContact CE2-CG2 3.58Å; Y83-I179 HydrophobicContact CG-CD1 3.95Å; Y83-I179 HydrophobicContact CG-CG1 4.45Å; Y83-I179 HydrophobicContact CG-CG2 4.45Å; E116-I179 HydrophobicContact CG-CD1 4.28Å; L119-I179 HydrophobicContact CD1-CD1 4.42Å; T175-I179 HydrophobicContact CG2-CD1 4.13Å; T175-I179 WeakPolarHBondContact O-CG1 3.09Å; T175-I179 PolarHBondContact O-N 3.23Å; I176-I179 PolarHBondContact O-N 3.11Å; I179-K181 PolarHBondContact O-N 2.63Å; I179-I183 HydrophobicContact CG2-CG1 4.37Å; I179-I183 VanDerWaalsContact O-CG1 3.31Å; I179-I183 WeakPolarHBondContact O-CG1 3.45Å; I179-V189 HydrophobicContact CG2-CG1 4.47Å; I179-L191 HydrophobicContact CD1-CD2 4.16Å
180M95.8Very high96.5Very high42 Ų4254.6 Ų54.621%0.20730%0.301CS..Hα-helixtrans-69.5-19.6-171.8-65.8-57-62.300113.5I176 R177 Y178 D182 I183 V189 W238I176-M180 HydrophobicContact CG2-CG 3.85Å; I176-M180 WeakPolarHBondContact O-CB 3.37Å; I176-M180 WeakPolarHBondContact O-CG 3.5Å; I176-M180 PolarHBondContact O-N 2.96Å; R177-M180 PolarHBondContact O-N 2.88Å; Y178-M180 PolarHBondContact O-N 3.34Å; M180-D182 PolarHBondContact O-N 3.49Å; M180-I183 HydrophobicContact CE-CB 4.38Å; M180-I183 HydrophobicContact CE-CG2 4.36Å; M180-I183 PolarHBondContact O-N 3.32Å; M180-I183 HydrophobicContact SD-CG1 4.21Å; M180-V189 HydrophobicContact SD-CG2 4.37Å; M180-W238 HydrophobicContact CE-CH2 3.68Å; M180-W238 HydrophobicContact CE-CZ2 3.96Å
181K95.5Very high96.6Very high165 Ų16552.5 Ų52.572%0.71729%0.287SS*.Hα-helixtrans-54.6-38.6180-176.5-175.7172.6-173.80113.1R177 Y178 I179R177-K181 PolarHBondContact O-N 3.18Å; R177-K181 VanDerWaalsContact O-N 3.15Å; Y178-K181 WeakPolarHBondContact O-CB 3.43Å; Y178-K181 PolarHBondContact O-N 3.21Å; I179-K181 PolarHBondContact O-N 2.63Å
182D92.5Very high96.7Very high117 Ų11751.7 Ų51.763%0.62628%0.284SS*.THydrogen-bonded Turntrans-107.810.2-174.3-59.4-34.8000112.5M180 P184M180-D182 PolarHBondContact O-N 3.49Å; D182-P184 WeakPolarHBondContact O-CD 3.46Å
183I96Very high96.8Very high23 Ų2352.3 Ų52.312%0.11829%0.288CS..PPolyproline II helixtrans-86.2120.4178.7-62.5-63.6000109.5Y81 Y83 I179 M180 V189Y81-I183 HydrophobicContact CD1-CD1 4.35Å; Y81-I183 HydrophobicContact CD2-CD1 3.59Å; Y81-I183 HydrophobicContact CD2-CG2 4.43Å; Y81-I183 HydrophobicContact CE2-CD1 3.98Å; Y81-I183 HydrophobicContact CE2-CG2 4.41Å; Y81-I183 HydrophobicContact CG-CD1 3.78Å; Y83-I183 HydrophobicContact CE2-CD1 4.32Å; I179-I183 HydrophobicContact CG2-CG1 4.37Å; I179-I183 VanDerWaalsContact O-CG1 3.31Å; I179-I183 WeakPolarHBondContact O-CG1 3.45Å; M180-I183 HydrophobicContact CE-CB 4.38Å; M180-I183 HydrophobicContact CE-CG2 4.36Å; M180-I183 PolarHBondContact O-N 3.32Å; M180-I183 HydrophobicContact SD-CG1 4.21Å; I183-V189 HydrophobicContact CB-CG2 4.5Å; I183-V189 HydrophobicContact CD1-CG2 3.84Å; I183-V189 HydrophobicContact CG1-CG2 3.97Å; I183-V189 HydrophobicContact CG2-CG2 3.73Å
184P96Very high96.8Very high68 Ų6851.8 Ų51.844%0.44229%0.285SS..PPolyproline II helixtrans-61.8142.7175.5-22.133.3000112.3Y81 D182 G186 S187Y81-P184 WeakPolarHBondContact OH-CD 3.39Å; D182-P184 WeakPolarHBondContact O-CD 3.46Å; P184-G186 PolarHBondContact O-N 3.32Å; P184-S187 WeakPolarHBondContact O-CB 2.98Å; P184-S187 PolarHBondContact O-N 3.48Å; P184-S187 VanDerWaalsContact O-N 3.1Å; P184-S187 PolarHBondContact O-OG 2.99Å
185V92.4Very high96.7Very high146 Ų14649.2 Ų49.289%0.88527%0.274SS*.THydrogen-bonded Turntrans-54.7134.81741770000110.3S187V185-S187 VanDerWaalsContact C-N 3.34Å
186G92.4Very high96.5Very high77 Ų7749.5 Ų49.579%0.79428%0.275SS*.THydrogen-bonded Turntrans87.2-3.1-177.900000114.9P184P184-G186 PolarHBondContact O-N 3.32Å
187S96.6Very high96.4Very high34 Ų3449.8 Ų49.824%0.23828%0.277CS..  trans-75.8149.1175.1-52.70000112.1D80 P184 V185D80-S187 WeakPolarHBondContact OD2-CA 3.44Å; P184-S187 WeakPolarHBondContact O-CB 2.98Å; P184-S187 PolarHBondContact O-N 3.48Å; P184-S187 VanDerWaalsContact O-N 3.1Å; P184-S187 PolarHBondContact O-OG 2.99Å; V185-S187 VanDerWaalsContact C-N 3.34Å
188T96.9Very high96.3Very high55 Ų5545.5 Ų45.534%0.33726%0.262SS..  trans-101.8127170-57.20000111.3N78 D80 Y81N78-T188 WeakPolarHBondContact O-CB 3.19Å; N78-T188 WeakPolarHBondContact O-CG2 3.22Å; D80-T188 PolarHBondContact N-O 3Å; D80-T188 PolarHBondContact OD2-N 2.66Å; Y81-T188 PolarHBondContact N-O 3.39Å
189V98.3Very high96Very high36 Ų3642.2 Ų42.222%0.21825%0.25CC..EExtended strand (participates in β ladder)trans-113.2122.7-179-174.30000110.5Y81 Y83 I179 M180 I183 L191Y81-V189 HydrophobicContact CD2-CG2 4.26Å; Y81-V189 WeakPolarHBondContact O-CA 3.45Å; Y83-V189 HydrophobicContact CD2-CG1 3.64Å; Y83-V189 HydrophobicContact CE2-CG1 3.8Å; I179-V189 HydrophobicContact CG2-CG1 4.47Å; M180-V189 HydrophobicContact SD-CG2 4.37Å; I183-V189 HydrophobicContact CB-CG2 4.5Å; I183-V189 HydrophobicContact CD1-CG2 3.84Å; I183-V189 HydrophobicContact CG1-CG2 3.97Å; I183-V189 HydrophobicContact CG2-CG2 3.73Å; V189-L191 HydrophobicContact CG1-CD2 3.72Å; V189-L191 HydrophobicContact CG1-CG 4.39Å
190L98.5Very high95.8Very high10 Ų1042.5 Ų42.55%0.05225%0.251CS..EExtended strand (participates in β ladder)trans-94.7119.5171177.464000110.1M1 V79 Y81 V82 Y83 F97 V192M1-L190 HydrophobicContact CB-CD1 4.02Å; M1-L190 HydrophobicContact CE-CD1 4.41Å; M1-L190 HydrophobicContact CE-CD2 4.31Å; V79-L190 HydrophobicContact CG1-CB 3.72Å; Y81-L190 PolarHBondContact O-N 2.96Å; V82-L190 WeakPolarHBondContact CA-O 3.44Å; V82-L190 HydrophobicContact CG1-CD2 4.25Å; V82-L190 HydrophobicContact CG2-CB 4.41Å; V82-L190 HydrophobicContact CG2-CD2 4.48Å; Y83-L190 PolarHBondContact N-O 2.82Å; F97-L190 HydrophobicContact CD1-CD2 3.5Å; F97-L190 HydrophobicContact CD2-CD2 4.12Å; F97-L190 HydrophobicContact CE1-CD2 3.52Å; F97-L190 HydrophobicContact CE2-CD2 4.09Å; F97-L190 HydrophobicContact CG-CD2 3.85Å; F97-L190 HydrophobicContact CZ-CD2 3.82Å; L190-V192 HydrophobicContact CD2-CG2 4.14Å; L190-V192 HydrophobicContact CG-CG2 4.05Å
191L98.6Very high95.8Very high32 Ų3242 Ų4217%0.16825%0.248CC..EExtended strand (participates in β ladder)trans-103.9116170.9-52.2-177.9000109.8M1 Y83 L119 I176 I179 V189M1-L191 PolarHBondContact N-O 3.02Å; Y83-L191 HydrophobicContact CD2-CD2 3.94Å; Y83-L191 HydrophobicContact CG-CD2 4.05Å; L119-L191 HydrophobicContact CD1-CD2 4.42Å; I176-L191 HydrophobicContact CD1-CD1 4.25Å; I176-L191 HydrophobicContact CG1-CD1 4.23Å; I179-L191 HydrophobicContact CD1-CD2 4.16Å; V189-L191 HydrophobicContact CG1-CD2 3.72Å; V189-L191 HydrophobicContact CG1-CG 4.39Å
192V98.8Very high95.6Very high0 Ų035.4 Ų35.40%022%0.22CC..EExtended strand (participates in β ladder)trans-98.5119174-174.40000109.9M1 Y83 S84 S85 C90 T93 A94 L190M1-V192 HydrophobicContact CE-CG2 3.76Å; M1-V192 WeakPolarHBondContact O-CA 3.41Å; Y83-V192 PolarHBondContact O-N 3.41Å; S84-V192 CarbonylContact C-O 3.42Å; S84-V192 WeakPolarHBondContact CA-O 3.19Å; S85-V192 PolarHBondContact N-O 2.86Å; C90-V192 HydrophobicContact CB-CG1 4.1Å; T93-V192 HydrophobicContact CG2-CG1 3.93Å; A94-V192 HydrophobicContact CB-CB 4.13Å; A94-V192 HydrophobicContact CB-CG1 4.5Å; A94-V192 HydrophobicContact CB-CG2 3.78Å; L190-V192 HydrophobicContact CD2-CG2 4.14Å; L190-V192 HydrophobicContact CG-CG2 4.05Å
193T98.4Very high95.6Very high14 Ų1432.8 Ų32.89%0.08620%0.203CC..BIsolated β-bridgetrans-149.8-157.6-171-170.90000110.7M1 R2 H3 C90 L119 N197M1-T193 PolarHBondContact O-N 2.71Å; R2-T193 CarbonylContact C-O 3.6Å; R2-T193 VanDerWaalsContact CA-O 3.31Å; R2-T193 WeakPolarHBondContact CA-O 3.31Å; H3-T193 PolarHBondContact N-O 3.3Å; C90-T193 PolarHBondContact SG-O 3Å; L119-T193 PolarHBondContact O-OG1 2.91Å; T193-N197 HydrophobicContact CG2-CB 3.71Å; T193-N197 PolarHBondContact OG1-ND2 2.73Å
194H97.5Very high95.6Very high2 Ų233.3 Ų33.31%0.00920%0.204CC..  trans-112.9165.5-170.7-53.6-89.2000111.8H3 S85 S87 R89 C90 F120 E121 P196 N197H3-H194 AromaticContact CD2-ND1 3.48Å; H3-H194 PolarHBondContact CD2-ND1 3.1Å; H3-H194 AromaticContact NE2-ND1 3.8Å; S85-H194 WeakPolarHBondContact CB-NE2 3.49Å; S85-H194 PolarHBondContact OG-NE2 2.76Å; S87-H194 PolarHBondContact OG-CE1 2.6Å; S87-H194 PolarHBondContact OG-NE2 3.32Å; R89-H194 PolarHBondContact NH2-CE1 3.02Å; R89-H194 PolarHBondContact NH2-ND1 2.73Å; C90-H194 PolarHBondContact SG-CE1 3.31Å; F120-H194 AromaticContact CD2-NE2 3.56Å; E121-H194 HydrophobicContact CB-CB 3.61Å; E121-H194 HydrophobicContact CG-CB 4.34Å; E121-H194 PolarHBondContact N-CD2 3.11Å; E121-H194 IonicContact OE1-CE1 2.91Å; E121-H194 IonicContact OE1-ND1 3.12Å; E121-H194 PolarHBondContact OE1-ND1 3.04Å; H194-P196 VanDerWaalsContact C-N 3.32Å; H194-N197 PolarHBondContact O-N 3.24Å
195A95.6Very high95.4Very high7 Ų733.3 Ų33.36%0.05820%0.195CC..G310 helixtrans-53.2-43.5175.100000112.8N197 F198 V219 V222A195-N197 PolarHBondContact O-N 3.2Å; A195-F198 WeakPolarHBondContact O-CB 3.04Å; A195-F198 WeakPolarHBondContact O-CD1 3.22Å; A195-F198 PolarHBondContact O-N 2.91Å; A195-V219 HydrophobicContact CB-CG2 4.08Å; A195-V222 HydrophobicContact CB-CB 3.78Å; A195-V222 HydrophobicContact CB-CG1 4.1Å; A195-V222 HydrophobicContact CB-CG2 4.27Å
196P95.4Very high95.2Very high5 Ų529.3 Ų29.33%0.03218%0.184CC..G310 helixtrans-49.3-29.2174.3-40.345.2000116.4E121 F124 F168 H194 F198 W215 V219E121-P196 HydrophobicContact CB-CB 3.94Å; E121-P196 HydrophobicContact CB-CG 3.87Å; E121-P196 WeakPolarHBondContact OE2-CG 3.35Å; F124-P196 HydrophobicContact CE2-CG 4.41Å; F124-P196 HydrophobicContact CZ-CG 4Å; F168-P196 HydrophobicContact CZ-CB 4.11Å; H194-P196 VanDerWaalsContact C-N 3.32Å; P196-F198 VanDerWaalsContact C-N 3.32Å; P196-F198 PolarHBondContact O-N 3.34Å; P196-W215 HydrophobicContact CB-CH2 3.98Å; P196-W215 HydrophobicContact CB-CZ2 3.54Å; P196-W215 HydrophobicContact CG-CH2 4.19Å; P196-W215 HydrophobicContact CG-CZ2 4.19Å; P196-W215 WeakPolarHBondContact O-CZ2 3.38Å; P196-W215 PolarHBondContact O-NE1 2.93Å; P196-V219 HydrophobicContact CB-CG2 4.49Å; P196-V219 HydrophobicContact CG-CG2 3.91Å
197N96Very high94.9Very high10 Ų1029.5 Ų29.55%0.05317%0.169CC..G310 helixtrans-87.810.8-178.8-76.4-45000113.9L119 F168 T193 H194 A195 D199 L200L119-N197 PolarHBondContact O-ND2 3.17Å; L119-N197 VanDerWaalsContact O-ND2 3.14Å; F168-N197 VanDerWaalsContact CE2-OD1 3.26Å; F168-N197 WeakPolarHBondContact CE2-OD1 3.43Å; F168-N197 WeakPolarHBondContact CZ-OD1 3.39Å; T193-N197 HydrophobicContact CG2-CB 3.71Å; T193-N197 PolarHBondContact OG1-ND2 2.73Å; H194-N197 PolarHBondContact O-N 3.24Å; A195-N197 PolarHBondContact O-N 3.2Å; N197-D199 PolarHBondContact O-N 3.39Å; N197-D199 VanDerWaalsContact O-N 3.11Å; N197-L200 HydrophobicContact CB-CB 4.16Å; N197-L200 HydrophobicContact CB-CD2 4.29Å; N197-L200 WeakPolarHBondContact O-CB 3.4Å; N197-L200 PolarHBondContact O-N 3.43Å
198F94.2Very high93.8Very high34 Ų3430 Ų3015%0.14918%0.18CC..G310 helixtrans-57.1-30.2-178.680.5-91.5000113.6A195 P196 W215 L218 V219 V222 I228A195-F198 WeakPolarHBondContact O-CB 3.04Å; A195-F198 WeakPolarHBondContact O-CD1 3.22Å; A195-F198 PolarHBondContact O-N 2.91Å; P196-F198 VanDerWaalsContact C-N 3.32Å; P196-F198 PolarHBondContact O-N 3.34Å; F198-W215 AromaticContact CE1-CD1 3.39Å; F198-W215 HydrophobicContact CE1-CD2 4.38Å; F198-W215 AromaticContact CE1-CG 3.95Å; F198-W215 HydrophobicContact CE1-CG 3.95Å; F198-W215 AromaticContact CE1-NE1 3.52Å; F198-W215 AromaticContact CZ-CD1 3.74Å; F198-W215 HydrophobicContact CZ-CG 4.27Å; F198-L218 HydrophobicContact CE1-CB 4.17Å; F198-L218 HydrophobicContact CE2-CB 4.25Å; F198-L218 HydrophobicContact CE2-CD1 4.11Å; F198-L218 HydrophobicContact CZ-CB 3.69Å; F198-L218 HydrophobicContact CZ-CD1 4.03Å; F198-V219 HydrophobicContact CE1-CB 4.41Å; F198-V222 HydrophobicContact CB-CG2 3.93Å; F198-V222 HydrophobicContact CD1-CG2 4.14Å; F198-V222 HydrophobicContact CG-CG2 4.1Å; F198-I228 WeakPolarHBondContact O-CD1 3.39Å
199D93.1Very high92.8Very high7 Ų728.9 Ų28.94%0.03718%0.179CC..G310 helixtrans-100.21.2-177.7-159.142.5000113.4N197 F201 N202 K203 G209 T210N197-D199 PolarHBondContact O-N 3.39Å; N197-D199 VanDerWaalsContact O-N 3.11Å; D199-F201 VanDerWaalsContact C-N 3.33Å; D199-F201 PolarHBondContact O-N 3.18Å; D199-N202 WeakPolarHBondContact O-CB 3.07Å; D199-N202 PolarHBondContact O-N 3.43Å; D199-N202 VanDerWaalsContact O-N 3.16Å; D199-N202 WeakPolarHBondContact OD1-CB 3.38Å; D199-N202 PolarHBondContact OD1-ND2 2.73Å; D199-K203 PolarHBondContact O-N 2.81Å; D199-G209 VanDerWaalsContact OD2-CA 3.29Å; D199-G209 WeakPolarHBondContact OD2-CA 3.4Å; D199-T210 PolarHBondContact OD1-OG1 3.38Å; D199-T210 VanDerWaalsContact OD2-CB 3.25Å; D199-T210 WeakPolarHBondContact OD2-CB 3.39Å; D199-T210 PolarHBondContact OD2-N 3.19Å; D199-T210 PolarHBondContact OD2-OG1 3.45Å
200L94.5Very high92.2Very high9 Ų928 Ų285%0.04717%0.174CC..Hα-helixtrans-59.9-43.2-171.8174.657.1000112.1L119 G172 V173 I176 N197 N202 K203 Y204L119-L200 HydrophobicContact CD2-CD2 4.45Å; G172-L200 VanDerWaalsContact C-CD1 3.41Å; V173-L200 HydrophobicContact CG2-CD1 4.28Å; I176-L200 HydrophobicContact CD1-CD1 4.33Å; I176-L200 HydrophobicContact CD1-CD2 3.73Å; I176-L200 HydrophobicContact CD1-CG 3.61Å; I176-L200 HydrophobicContact CG1-CD2 4.29Å; N197-L200 HydrophobicContact CB-CB 4.16Å; N197-L200 HydrophobicContact CB-CD2 4.29Å; N197-L200 WeakPolarHBondContact O-CB 3.4Å; N197-L200 PolarHBondContact O-N 3.43Å; L200-N202 VanDerWaalsContact C-N 3.33Å; L200-N202 PolarHBondContact O-N 3.42Å; L200-K203 WeakPolarHBondContact O-CB 3.39Å; L200-K203 PolarHBondContact O-N 3.15Å; L200-Y204 PolarHBondContact O-N 3.48Å
201F94.2Very high91.8Very high32 Ų3232.1 Ų32.114%0.1420%0.2CC..Hα-helixtrans-72-28.2-178.1-152.8-87.3000112.6I176 D199 K203 Y204 R205 Y230 W238I176-F201 HydrophobicContact CD1-CD2 4Å; I176-F201 HydrophobicContact CG2-CE2 4.25Å; D199-F201 VanDerWaalsContact C-N 3.33Å; D199-F201 PolarHBondContact O-N 3.18Å; F201-K203 VanDerWaalsContact C-N 3.34Å; F201-Y204 HydrophobicContact CD1-CD1 4.37Å; F201-Y204 HydrophobicContact CD2-CD1 4.21Å; F201-Y204 HydrophobicContact CE1-CD1 4.02Å; F201-Y204 HydrophobicContact CE1-CE1 4.4Å; F201-Y204 AromaticContact CE2-CD1 3.84Å; F201-Y204 HydrophobicContact CE2-CD1 3.84Å; F201-Y204 HydrophobicContact CE2-CE1 4.13Å; F201-Y204 HydrophobicContact CG-CD1 4.46Å; F201-Y204 AromaticContact CZ-CD1 3.75Å; F201-Y204 HydrophobicContact CZ-CD1 3.75Å; F201-Y204 AromaticContact CZ-CE1 3.85Å; F201-Y204 HydrophobicContact CZ-CE1 3.85Å; F201-Y204 PolarHBondContact O-N 3.36Å; F201-R205 VanDerWaalsContact O-CG 3.32Å; F201-R205 WeakPolarHBondContact O-CG 3.15Å; F201-R205 PolarHBondContact O-N 2.89Å; F201-Y230 HydrophobicContact CB-CD2 3.94Å; F201-Y230 HydrophobicContact CB-CE2 3.49Å; F201-Y230 VanDerWaalsContact CB-CE2 3.49Å; F201-Y230 AromaticContact CD1-CD1 3.79Å; F201-Y230 HydrophobicContact CD1-CD1 3.79Å; F201-Y230 AromaticContact CD1-CD2 3.23Å; F201-Y230 HydrophobicContact CD1-CD2 3.23Å; F201-Y230 HydrophobicContact CD1-CE1 4.08Å; F201-Y230 AromaticContact CD1-CE2 3.57Å; F201-Y230 HydrophobicContact CD1-CE2 3.57Å; F201-Y230 AromaticContact CD1-CG 3.35Å; F201-Y230 HydrophobicContact CD1-CG 3.35Å; F201-Y230 AromaticContact CD1-CZ 3.97Å; F201-Y230 HydrophobicContact CD2-CD2 4.45Å; F201-Y230 HydrophobicContact CE1-CD1 4.14Å; F201-Y230 AromaticContact CE1-CD2 3.8Å; F201-Y230 HydrophobicContact CE1-CD2 3.8Å; F201-Y230 AromaticContact CE1-CG 3.56Å; F201-Y230 HydrophobicContact CE1-CG 3.56Å; F201-Y230 AromaticContact CG-CD2 3.62Å; F201-Y230 HydrophobicContact CG-CD2 3.62Å; F201-Y230 AromaticContact CG-CE2 3.72Å; F201-Y230 HydrophobicContact CG-CE2 3.72Å; F201-Y230 HydrophobicContact CG-CG 4.21Å; F201-W238 HydrophobicContact CE1-CB 4.13Å; F201-W238 AromaticContact CE1-CD2 3.75Å; F201-W238 HydrophobicContact CE1-CD2 3.75Å; F201-W238 AromaticContact CE1-CE3 3.7Å; F201-W238 HydrophobicContact CE1-CE3 3.7Å; F201-W238 AromaticContact CE1-CG 3.95Å; F201-W238 HydrophobicContact CE1-CG 3.95Å; F201-W238 HydrophobicContact CE1-CZ3 4.37Å; F201-W238 AromaticContact CZ-CD2 3.78Å; F201-W238 HydrophobicContact CZ-CD2 3.78Å; F201-W238 AromaticContact CZ-CE3 3.61Å; F201-W238 HydrophobicContact CZ-CE3 3.61Å; F201-W238 HydrophobicContact CZ-CG 4.4Å; F201-W238 HydrophobicContact CZ-CH2 4.19Å; F201-W238 HydrophobicContact CZ-CZ2 4.35Å; F201-W238 AromaticContact CZ-CZ3 3.82Å; F201-W238 HydrophobicContact CZ-CZ3 3.82Å
202N92.4Very high91.4Very high26 Ų2633.8 Ų33.814%0.13921%0.208CC..Hα-helixtrans-63.6-41.5171.1-77-35.8000111.4D199 L200 R205 G206 T207 G208 Y230D199-N202 WeakPolarHBondContact O-CB 3.07Å; D199-N202 PolarHBondContact O-N 3.43Å; D199-N202 VanDerWaalsContact O-N 3.16Å; D199-N202 WeakPolarHBondContact OD1-CB 3.38Å; D199-N202 PolarHBondContact OD1-ND2 2.73Å; L200-N202 VanDerWaalsContact C-N 3.33Å; L200-N202 PolarHBondContact O-N 3.42Å; N202-R205 VanDerWaalsContact OD1-CZ 3.29Å; N202-R205 PolarHBondContact OD1-NE 2.74Å; N202-R205 PolarHBondContact OD1-NH2 3.07Å; N202-G206 PolarHBondContact O-N 3.17Å; N202-T207 PolarHBondContact O-N 3.42Å; N202-T207 PolarHBondContact O-OG1 2.86Å; N202-G208 CarbonylContact C-O 3.52Å; N202-Y230 PolarHBondContact OD1-OH 2.94Å; N202-Y230 VanDerWaalsContact OD1-OH 3.09Å
203K92.5Very high91Very high62 Ų6242.5 Ų42.527%0.2725%0.245SC..Hα-helixtrans-61.7-46.4172.5-65.1-72.5-168.9-177.50111.3V173 D199 L200 F201 G206 G209V173-K203 HydrophobicContact CG2-CB 3.64Å; D199-K203 PolarHBondContact O-N 2.81Å; L200-K203 WeakPolarHBondContact O-CB 3.39Å; L200-K203 PolarHBondContact O-N 3.15Å; F201-K203 VanDerWaalsContact C-N 3.34Å; K203-G206 PolarHBondContact O-N 3.39Å; K203-G209 VanDerWaalsContact CE-CA 3.49Å
204Y94.6Very high90.7Very high34 Ų3449.5 Ų49.513%0.13327%0.27CS..Hα-helixtrans-59.2-48.1179.6167.5-101.6000112.7V173 I176 R177 L200 F201 G206 W238V173-Y204 HydrophobicContact CG1-CD2 4.43Å; I176-Y204 HydrophobicContact CB-CD2 3.81Å; I176-Y204 HydrophobicContact CB-CE2 4.2Å; I176-Y204 HydrophobicContact CB-CG 4.17Å; I176-Y204 HydrophobicContact CG2-CD1 3.89Å; I176-Y204 HydrophobicContact CG2-CD2 3.49Å; I176-Y204 VanDerWaalsContact CG2-CD2 3.49Å; I176-Y204 HydrophobicContact CG2-CE1 3.96Å; I176-Y204 HydrophobicContact CG2-CE2 3.58Å; I176-Y204 HydrophobicContact CG2-CG 3.66Å; R177-Y204 HydrophobicContact CG-CD2 4.06Å; R177-Y204 HydrophobicContact CG-CE2 3.7Å; L200-Y204 PolarHBondContact O-N 3.48Å; F201-Y204 HydrophobicContact CD1-CD1 4.37Å; F201-Y204 HydrophobicContact CD2-CD1 4.21Å; F201-Y204 HydrophobicContact CE1-CD1 4.02Å; F201-Y204 HydrophobicContact CE1-CE1 4.4Å; F201-Y204 AromaticContact CE2-CD1 3.84Å; F201-Y204 HydrophobicContact CE2-CD1 3.84Å; F201-Y204 HydrophobicContact CE2-CE1 4.13Å; F201-Y204 HydrophobicContact CG-CD1 4.46Å; F201-Y204 AromaticContact CZ-CD1 3.75Å; F201-Y204 HydrophobicContact CZ-CD1 3.75Å; F201-Y204 AromaticContact CZ-CE1 3.85Å; F201-Y204 HydrophobicContact CZ-CE1 3.85Å; F201-Y204 PolarHBondContact O-N 3.36Å; Y204-G206 PolarHBondContact O-N 2.99Å; Y204-W238 HydrophobicContact CE1-CZ2 4.37Å; Y204-W238 AromaticContact CE1-NE1 3.89Å
205R92.7Very high90.5Very high67 Ų6749.4 Ų49.425%0.25327%0.27SS..THydrogen-bonded Turntrans-76.31.1-179.674.4-171.8-179107.16.3114.6F201 N202 T207 W238F201-R205 VanDerWaalsContact O-CG 3.32Å; F201-R205 WeakPolarHBondContact O-CG 3.15Å; F201-R205 PolarHBondContact O-N 2.89Å; N202-R205 VanDerWaalsContact OD1-CZ 3.29Å; N202-R205 PolarHBondContact OD1-NE 2.74Å; N202-R205 PolarHBondContact OD1-NH2 3.07Å; R205-T207 VanDerWaalsContact C-N 3.31Å; R205-T207 HydrophobicContact CG-CG2 4.09Å; R205-T207 PolarHBondContact NE-OG1 3.17Å; R205-T207 VanDerWaalsContact NE-OG1 3.12Å; R205-T207 PolarHBondContact NH2-OG1 3.46Å; R205-T207 VanDerWaalsContact NH2-OG1 3.11Å; R205-T207 PolarHBondContact O-N 3.44Å; R205-W238 HydrophobicContact CB-CB 3.93Å; R205-W238 HydrophobicContact CB-CG 4.23Å; R205-W238 PolarHBondContact NH1-O 3.04Å
206G88.6Confident90.3Very high62 Ų6255.6 Ų55.664%0.63929%0.292SS*.THydrogen-bonded Turntrans74.68.517300000115.9N202 K203 Y204 G208N202-G206 PolarHBondContact O-N 3.17Å; K203-G206 PolarHBondContact O-N 3.39Å; Y204-G206 PolarHBondContact O-N 2.99Å; G206-G208 PolarHBondContact O-N 3.14Å
207T84.6Confident90.1Very high81 Ų8158.8 Ų58.850%0.49731%0.314SS..SBendtrans-75.721176.152.50000113.7N202 R205N202-T207 PolarHBondContact O-N 3.42Å; N202-T207 PolarHBondContact O-OG1 2.86Å; R205-T207 VanDerWaalsContact C-N 3.31Å; R205-T207 HydrophobicContact CG-CG2 4.09Å; R205-T207 PolarHBondContact NE-OG1 3.17Å; R205-T207 VanDerWaalsContact NE-OG1 3.12Å; R205-T207 PolarHBondContact NH2-OG1 3.46Å; R205-T207 VanDerWaalsContact NH2-OG1 3.11Å; R205-T207 PolarHBondContact O-N 3.44Å
208G75.4Confident90Very high44 Ų4460.5 Ų60.545%0.45432%0.323SS..  trans73.5-179.4-166.300000112.4N202 G206N202-G208 CarbonylContact C-O 3.52Å; G206-G208 PolarHBondContact O-N 3.14Å
209G75.6Confident89.9Confident32 Ų3259.5 Ų59.533%0.3332%0.32SS..  trans-150.2174.9167.400000111.2D199 K203D199-G209 VanDerWaalsContact OD2-CA 3.29Å; D199-G209 WeakPolarHBondContact OD2-CA 3.4Å; K203-G209 VanDerWaalsContact CE-CA 3.49Å
210T85.5Confident89.8Confident19 Ų1965 Ų6512%0.11735%0.353CS..  trans-64.1134.8-170.7-51.30000110.3D199 R214 W215 L218D199-T210 PolarHBondContact OD1-OG1 3.38Å; D199-T210 VanDerWaalsContact OD2-CB 3.25Å; D199-T210 WeakPolarHBondContact OD2-CB 3.39Å; D199-T210 PolarHBondContact OD2-N 3.19Å; D199-T210 PolarHBondContact OD2-OG1 3.45Å; T210-R214 VanDerWaalsContact CG2-C 3.49Å; T210-R214 HydrophobicContact CG2-CB 3.46Å; T210-R214 VanDerWaalsContact CG2-CB 3.46Å; T210-R214 HydrophobicContact CG2-CG 3.43Å; T210-R214 VanDerWaalsContact CG2-CG 3.43Å; T210-W215 HydrophobicContact CG2-CB 3.87Å; T210-L218 HydrophobicContact CG2-CD1 4.41Å
211T89.2Confident89.6Confident95 Ų9573.5 Ų73.558%0.58339%0.385SS*.  trans-60.1148.8169.363.90000109.3K213 R214 W215T211-K213 PolarHBondContact O-N 3.27Å; T211-K213 VanDerWaalsContact O-N 3.08Å; T211-R214 PolarHBondContact O-N 2.96Å; T211-R214 PolarHBondContact OG1-N 3.36Å; T211-W215 WeakPolarHBondContact O-CB 3.32Å; T211-W215 PolarHBondContact O-N 2.84Å
212M90.4Very high89.6Confident68 Ų6872.7 Ų72.734%0.33538%0.383SS..Hα-helixtrans-51.8-38.9-179.9-170.4-173.2-156.900112.7W122 F165 W215 R216W122-M212 HydrophobicContact CH2-CE 3.18Å; W122-M212 HydrophobicContact CZ2-CE 4.17Å; W122-M212 HydrophobicContact CZ3-CE 3.69Å; F165-M212 HydrophobicContact CB-CE 3.9Å; F165-M212 HydrophobicContact CB-CG 4.46Å; F165-M212 HydrophobicContact CB-SD 4.39Å; F165-M212 HydrophobicContact CD1-CB 3.95Å; F165-M212 HydrophobicContact CD1-CG 4.17Å; F165-M212 HydrophobicContact CD2-CG 4.49Å; F165-M212 HydrophobicContact CE1-CB 4.1Å; F165-M212 HydrophobicContact CG-CB 4.41Å; F165-M212 HydrophobicContact CG-CE 4.44Å; F165-M212 HydrophobicContact CG-CG 4.12Å; M212-W215 PolarHBondContact O-N 2.86Å; M212-R216 WeakPolarHBondContact O-CG 3.15Å; M212-R216 PolarHBondContact O-N 3.3Å
213K91.4Very high89.6Confident182 Ų18273.8 Ų73.879%0.79139%0.391SS*.Hα-helixtrans-60.1-49.7176.6-176.6178.6179179.10112.4T211 S217T211-K213 PolarHBondContact O-N 3.27Å; T211-K213 VanDerWaalsContact O-N 3.08Å; K213-S217 PolarHBondContact O-N 3.02Å
214R92.4Very high89.7Confident162 Ų16273.3 Ų73.361%0.61139%0.388SS*.Hα-helixtrans-72.7-31.8179178.5178.4174.11611.6111.4T210 T211 R216 S217 L218T210-R214 VanDerWaalsContact CG2-C 3.49Å; T210-R214 HydrophobicContact CG2-CB 3.46Å; T210-R214 VanDerWaalsContact CG2-CB 3.46Å; T210-R214 HydrophobicContact CG2-CG 3.43Å; T210-R214 VanDerWaalsContact CG2-CG 3.43Å; T211-R214 PolarHBondContact O-N 2.96Å; T211-R214 PolarHBondContact OG1-N 3.36Å; R214-R216 VanDerWaalsContact C-N 3.35Å; R214-S217 PolarHBondContact O-N 3.21Å; R214-S217 PolarHBondContact O-OG 3.45Å; R214-L218 HydrophobicContact CG-CD1 3.89Å; R214-L218 HydrophobicContact CG-CG 4.39Å; R214-L218 VanDerWaalsContact O-CG 3.3Å; R214-L218 WeakPolarHBondContact O-CG 3.33Å; R214-L218 PolarHBondContact O-N 3.13Å
215W92.7Very high89.8Confident0 Ų072 Ų720%038%0.383CS..Hα-helixtrans-63.5-44.2177.2-179.7100.6000110.4W122 F124 F165 F168 P196 F198 T210 T211 M212 S217 L218 V219W122-W215 HydrophobicContact CE3-CH2 4.03Å; W122-W215 HydrophobicContact CE3-CZ3 4.18Å; W122-W215 HydrophobicContact CZ3-CZ3 4.34Å; F124-W215 HydrophobicContact CD1-CH2 4.12Å; F124-W215 AromaticContact CD1-CZ3 3.95Å; F124-W215 HydrophobicContact CD1-CZ3 3.95Å; F124-W215 AromaticContact CE1-CH2 3.44Å; F124-W215 HydrophobicContact CE1-CH2 3.44Å; F124-W215 VanDerWaalsContact CE1-CH2 3.44Å; F124-W215 AromaticContact CE1-CZ3 3.45Å; F124-W215 HydrophobicContact CE1-CZ3 3.45Å; F124-W215 VanDerWaalsContact CE1-CZ3 3.45Å; F124-W215 AromaticContact CZ-CH2 3.96Å; F124-W215 HydrophobicContact CZ-CH2 3.96Å; F124-W215 HydrophobicContact CZ-CZ3 4.37Å; F165-W215 HydrophobicContact CE2-CB 4.34Å; F165-W215 AromaticContact CE2-CD1 3.91Å; F165-W215 AromaticContact CE2-CD2 3.71Å; F165-W215 HydrophobicContact CE2-CD2 3.71Å; F165-W215 AromaticContact CE2-CE2 3.85Å; F165-W215 HydrophobicContact CE2-CE3 4.19Å; F165-W215 AromaticContact CE2-CG 3.75Å; F165-W215 HydrophobicContact CE2-CG 3.75Å; F165-W215 HydrophobicContact CE2-CZ2 4.41Å; F165-W215 AromaticContact CE2-NE1 3.97Å; F165-W215 HydrophobicContact CZ-CB 3.98Å; F165-W215 AromaticContact CZ-CD1 3.86Å; F165-W215 HydrophobicContact CZ-CD2 4.22Å; F165-W215 AromaticContact CZ-CG 3.76Å; F165-W215 HydrophobicContact CZ-CG 3.76Å; F168-W215 HydrophobicContact CE1-CZ2 4.32Å; P196-W215 HydrophobicContact CB-CH2 3.98Å; P196-W215 HydrophobicContact CB-CZ2 3.54Å; P196-W215 HydrophobicContact CG-CH2 4.19Å; P196-W215 HydrophobicContact CG-CZ2 4.19Å; P196-W215 WeakPolarHBondContact O-CZ2 3.38Å; P196-W215 PolarHBondContact O-NE1 2.93Å; F198-W215 AromaticContact CE1-CD1 3.39Å; F198-W215 HydrophobicContact CE1-CD2 4.38Å; F198-W215 AromaticContact CE1-CG 3.95Å; F198-W215 HydrophobicContact CE1-CG 3.95Å; F198-W215 AromaticContact CE1-NE1 3.52Å; F198-W215 AromaticContact CZ-CD1 3.74Å; F198-W215 HydrophobicContact CZ-CG 4.27Å; T210-W215 HydrophobicContact CG2-CB 3.87Å; T211-W215 WeakPolarHBondContact O-CB 3.32Å; T211-W215 PolarHBondContact O-N 2.84Å; M212-W215 PolarHBondContact O-N 2.86Å; W215-S217 VanDerWaalsContact C-N 3.29Å; W215-S217 PolarHBondContact O-N 3.34Å; W215-L218 PolarHBondContact O-N 3.24Å; W215-L218 VanDerWaalsContact O-N 3.11Å; W215-V219 HydrophobicContact CE3-CB 4.43Å; W215-V219 HydrophobicContact CE3-CG1 4.32Å; W215-V219 HydrophobicContact CH2-CB 4.28Å; W215-V219 HydrophobicContact CH2-CG1 4.36Å; W215-V219 HydrophobicContact CH2-CG2 4.02Å; W215-V219 HydrophobicContact CZ2-CB 4.43Å; W215-V219 HydrophobicContact CZ2-CG2 4.13Å; W215-V219 HydrophobicContact CZ3-CB 4.28Å; W215-V219 HydrophobicContact CZ3-CG1 4.01Å; W215-V219 HydrophobicContact CZ3-CG2 4.48Å; W215-V219 PolarHBondContact O-N 3.47Å
216R91.3Very high89.8Confident137 Ų13772.8 Ų72.852%0.51739%0.387SS..Hα-helixtrans-61.1-33.7177.1-77.6-179.1176.8-173.8-2.2113.2M212 R214M212-R216 WeakPolarHBondContact O-CG 3.15Å; M212-R216 PolarHBondContact O-N 3.3Å; R214-R216 VanDerWaalsContact C-N 3.35Å
217S92Very high90.1Very high72 Ų7270.5 Ų70.550%0.50336%0.361SS..Hα-helixtrans-80.1-17.4177.867.80000113.9K213 R214 W215K213-S217 PolarHBondContact O-N 3.02Å; R214-S217 PolarHBondContact O-N 3.21Å; R214-S217 PolarHBondContact O-OG 3.45Å; W215-S217 VanDerWaalsContact C-N 3.29Å; W215-S217 PolarHBondContact O-N 3.34Å
218L93.4Very high90.5Very high45 Ų4568.7 Ų68.724%0.23635%0.348CS..Hα-helixtrans-98.3-33.2-178.5-68.5176.8000113F198 T210 R214 W215 T220 R221F198-L218 HydrophobicContact CE1-CB 4.17Å; F198-L218 HydrophobicContact CE2-CB 4.25Å; F198-L218 HydrophobicContact CE2-CD1 4.11Å; F198-L218 HydrophobicContact CZ-CB 3.69Å; F198-L218 HydrophobicContact CZ-CD1 4.03Å; T210-L218 HydrophobicContact CG2-CD1 4.41Å; R214-L218 HydrophobicContact CG-CD1 3.89Å; R214-L218 HydrophobicContact CG-CG 4.39Å; R214-L218 VanDerWaalsContact O-CG 3.3Å; R214-L218 WeakPolarHBondContact O-CG 3.33Å; R214-L218 PolarHBondContact O-N 3.13Å; W215-L218 PolarHBondContact O-N 3.24Å; W215-L218 VanDerWaalsContact O-N 3.11Å; L218-T220 VanDerWaalsContact C-N 3.26Å; L218-T220 PolarHBondContact O-N 3.3Å; L218-R221 WeakPolarHBondContact O-CA 3.44Å; L218-R221 WeakPolarHBondContact O-CB 3.04Å; L218-R221 PolarHBondContact O-N 3.28Å
219V92.6Very high91.5Very high13 Ų1369.3 Ų69.38%0.07934%0.339CS..Hα-helixtrans-57.7-37.6-174.567.70000112.9F124 A195 P196 F198 W215 R221 V222F124-V219 HydrophobicContact CE1-CG1 4.41Å; A195-V219 HydrophobicContact CB-CG2 4.08Å; P196-V219 HydrophobicContact CB-CG2 4.49Å; P196-V219 HydrophobicContact CG-CG2 3.91Å; F198-V219 HydrophobicContact CE1-CB 4.41Å; W215-V219 HydrophobicContact CE3-CB 4.43Å; W215-V219 HydrophobicContact CE3-CG1 4.32Å; W215-V219 HydrophobicContact CH2-CB 4.28Å; W215-V219 HydrophobicContact CH2-CG1 4.36Å; W215-V219 HydrophobicContact CH2-CG2 4.02Å; W215-V219 HydrophobicContact CZ2-CB 4.43Å; W215-V219 HydrophobicContact CZ2-CG2 4.13Å; W215-V219 HydrophobicContact CZ3-CB 4.28Å; W215-V219 HydrophobicContact CZ3-CG1 4.01Å; W215-V219 HydrophobicContact CZ3-CG2 4.48Å; W215-V219 PolarHBondContact O-N 3.47Å; V219-R221 PolarHBondContact O-N 3.03Å; V219-V222 PolarHBondContact O-N 3.09Å
220T89.9Confident92.4Very high122 Ų12269 Ų6975%0.74833%0.328SS*.THydrogen-bonded Turntrans-70.2-11178.256.40000113.5L218L218-T220 VanDerWaalsContact C-N 3.26Å; L218-T220 PolarHBondContact O-N 3.3Å
221R91.3Very high92.8Very high189 Ų18970.6 Ų70.671%0.71334%0.337SS*.THydrogen-bonded Turntrans-101.5-0.9-177.9-56.5179.563.5-170.4-0.5113.4L218 V219 P223L218-R221 WeakPolarHBondContact O-CA 3.44Å; L218-R221 WeakPolarHBondContact O-CB 3.04Å; L218-R221 PolarHBondContact O-N 3.28Å; V219-R221 PolarHBondContact O-N 3.03Å; R221-P223 VanDerWaalsContact O-CD 3.26Å; R221-P223 WeakPolarHBondContact O-CD 3.49Å
222V92.6Very high93.1Very high14 Ų1470 Ų709%0.08533%0.327CS..  trans-80.6110.8-179.3-177.80000108.3R2 A195 F198 V219 Y226R2-V222 PolarHBondContact NH1-O 3.4Å; A195-V222 HydrophobicContact CB-CB 3.78Å; A195-V222 HydrophobicContact CB-CG1 4.1Å; A195-V222 HydrophobicContact CB-CG2 4.27Å; F198-V222 HydrophobicContact CB-CG2 3.93Å; F198-V222 HydrophobicContact CD1-CG2 4.14Å; F198-V222 HydrophobicContact CG-CG2 4.1Å; V219-V222 PolarHBondContact O-N 3.09Å; V222-Y226 HydrophobicContact CG1-CD1 3.77Å; V222-Y226 HydrophobicContact CG1-CG 4.19Å
223P93.5Very high93.3Very high49 Ų4969.6 Ų69.632%0.31833%0.328SS..  trans-74.2163.7-177.928.7-30.3000112.1R2 R221 Y226R2-P223 VanDerWaalsContact CD-O 3.26Å; R2-P223 WeakPolarHBondContact CD-O 3.37Å; R221-P223 VanDerWaalsContact O-CD 3.26Å; R221-P223 WeakPolarHBondContact O-CD 3.49Å; P223-Y226 HydrophobicContact CG-CD2 4.37Å; P223-Y226 HydrophobicContact CG-CG 4.49Å; P223-Y226 WeakPolarHBondContact O-CB 3.4Å; P223-Y226 PolarHBondContact O-N 2.98Å
224Y94.9Very high93.3Very high52 Ų5263.9 Ų63.920%0.20431%0.311CS..THydrogen-bonded Turntrans-57.6149.3171.6-62.4-57000111.5H3 G4 E5 R6 D9 Y226H3-Y224 AromaticContact CE1-CE1 3.87Å; H3-Y224 WeakPolarHBondContact O-CD1 3.19Å; G4-Y224 WeakPolarHBondContact O-CD1 3.43Å; E5-Y224 HydrophobicContact CB-CD2 4.07Å; E5-Y224 HydrophobicContact CB-CE2 3.91Å; E5-Y224 HydrophobicContact CG-CE2 4.09Å; R6-Y224 HydrophobicContact CG-CE1 4.43Å; D9-Y224 WeakPolarHBondContact CB-OH 3.47Å; D9-Y224 PolarHBondContact OD2-OH 3.16Å; Y224-Y226 PolarHBondContact O-N 2.74Å
225L96Very high93.1Very high7 Ų761.1 Ų61.14%0.03732%0.317CS..THydrogen-bonded Turntrans56.310.6-179.6-53.1176.2000114.7M1 R2 H3 A65 V68 T93 C227M1-L225 HydrophobicContact SD-CD2 4.46Å; R2-L225 WeakPolarHBondContact O-CA 3.21Å; R2-L225 PolarHBondContact O-N 2.7Å; H3-L225 PolarHBondContact O-N 2.87Å; A65-L225 HydrophobicContact CB-CD2 4.18Å; V68-L225 HydrophobicContact CG2-CB 4.36Å; V68-L225 HydrophobicContact CG2-CD1 3.87Å; T93-L225 HydrophobicContact CG2-CD2 3.65Å; L225-C227 PolarHBondContact O-N 3.23Å
226Y93.4Very high92.8Very high84 Ų8467.1 Ų67.133%0.32935%0.349SS..  trans-56.4133.9172.1176.7-107.5000110.5M1 R2 V222 P223 Y224 I228M1-Y226 CarbonylContact C-O 3.34Å; M1-Y226 WeakPolarHBondContact CA-O 3.47Å; R2-Y226 PolarHBondContact N-O 3.09Å; V222-Y226 HydrophobicContact CG1-CD1 3.77Å; V222-Y226 HydrophobicContact CG1-CG 4.19Å; P223-Y226 HydrophobicContact CG-CD2 4.37Å; P223-Y226 HydrophobicContact CG-CG 4.49Å; P223-Y226 WeakPolarHBondContact O-CB 3.4Å; P223-Y226 PolarHBondContact O-N 2.98Å; Y224-Y226 PolarHBondContact O-N 2.74Å; Y226-I228 HydrophobicContact CD1-CG1 4.15Å; Y226-I228 HydrophobicContact CE1-CD1 3.72Å; Y226-I228 HydrophobicContact CE1-CG1 3.25Å
227C94.2Very high92.8Very high14 Ų1465.7 Ų65.710%0.09535%0.346CS..  trans-123140-179.9-1630000110.8L225 P243L225-C227 PolarHBondContact O-N 3.23Å; C227-P243 HydrophobicContact CB-CB 3.89Å; C227-P243 HydrophobicContact CB-CG 4.35Å
228I93.2Very high93Very high43 Ų4363.8 Ų63.822%0.22133%0.328CS..  trans-120133167.6-47.9172.3000105.6F198 Y226 Y230 M240F198-I228 WeakPolarHBondContact O-CD1 3.39Å; Y226-I228 HydrophobicContact CD1-CG1 4.15Å; Y226-I228 HydrophobicContact CE1-CD1 3.72Å; Y226-I228 HydrophobicContact CE1-CG1 3.25Å; I228-Y230 HydrophobicContact CB-CE2 4.07Å; I228-Y230 HydrophobicContact CG2-CD2 4.1Å; I228-Y230 HydrophobicContact CG2-CE2 3.3Å; I228-M240 HydrophobicContact CG2-CE 3.98Å; I228-M240 HydrophobicContact CG2-CG 4.27Å; I228-M240 HydrophobicContact CG2-SD 4.34Å
229M95.2Very high93Very high56 Ų5664.9 Ų64.928%0.27633%0.332SS..EExtended strand (participates in β ladder)trans-116.7142.4179-176.6173.6177.700110.1D231 M240 R241 P243 P244M229-D231 WeakPolarHBondContact CE-OD1 3.33Å; M229-M240 WeakPolarHBondContact O-CA 3.45Å; M229-R241 HydrophobicContact CB-CB 4.49Å; M229-R241 HydrophobicContact CG-CB 4.29Å; M229-R241 PolarHBondContact O-N 2.79Å; M229-R241 HydrophobicContact SD-CB 4.44Å; M229-P243 HydrophobicContact CB-CB 4.35Å; M229-P244 HydrophobicContact SD-CG 4.44Å
230Y95.4Very high93Very high25 Ų2569 Ų6910%0.09835%0.352CS..EExtended strand (participates in β ladder)trans-134.2140.4173.8-61.4-94.9000109.2F201 N202 I228 E239 M240F201-Y230 HydrophobicContact CB-CD2 3.94Å; F201-Y230 HydrophobicContact CB-CE2 3.49Å; F201-Y230 VanDerWaalsContact CB-CE2 3.49Å; F201-Y230 AromaticContact CD1-CD1 3.79Å; F201-Y230 HydrophobicContact CD1-CD1 3.79Å; F201-Y230 AromaticContact CD1-CD2 3.23Å; F201-Y230 HydrophobicContact CD1-CD2 3.23Å; F201-Y230 HydrophobicContact CD1-CE1 4.08Å; F201-Y230 AromaticContact CD1-CE2 3.57Å; F201-Y230 HydrophobicContact CD1-CE2 3.57Å; F201-Y230 AromaticContact CD1-CG 3.35Å; F201-Y230 HydrophobicContact CD1-CG 3.35Å; F201-Y230 AromaticContact CD1-CZ 3.97Å; F201-Y230 HydrophobicContact CD2-CD2 4.45Å; F201-Y230 HydrophobicContact CE1-CD1 4.14Å; F201-Y230 AromaticContact CE1-CD2 3.8Å; F201-Y230 HydrophobicContact CE1-CD2 3.8Å; F201-Y230 AromaticContact CE1-CG 3.56Å; F201-Y230 HydrophobicContact CE1-CG 3.56Å; F201-Y230 AromaticContact CG-CD2 3.62Å; F201-Y230 HydrophobicContact CG-CD2 3.62Å; F201-Y230 AromaticContact CG-CE2 3.72Å; F201-Y230 HydrophobicContact CG-CE2 3.72Å; F201-Y230 HydrophobicContact CG-CG 4.21Å; N202-Y230 PolarHBondContact OD1-OH 2.94Å; N202-Y230 VanDerWaalsContact OD1-OH 3.09Å; I228-Y230 HydrophobicContact CB-CE2 4.07Å; I228-Y230 HydrophobicContact CG2-CD2 4.1Å; I228-Y230 HydrophobicContact CG2-CE2 3.3Å; Y230-E239 CarbonylContact C-O 3.55Å; Y230-E239 VanDerWaalsContact CA-O 3.26Å; Y230-E239 WeakPolarHBondContact CA-O 3.34Å; Y230-M240 HydrophobicContact CD1-CB 4.06Å; Y230-M240 HydrophobicContact CE1-CB 3.96Å; Y230-M240 HydrophobicContact CE1-CE 3.87Å; Y230-M240 HydrophobicContact CE1-CG 4.3Å; Y230-M240 WeakPolarHBondContact OH-CE 3.4Å
231D94.9Very high93.2Very high54 Ų5468.2 Ų68.229%0.28934%0.335SS..EExtended strand (participates in β ladder)trans-107.3136.4171.2-69.1-12.9000109.7M229 V233 W238 E239 R241M229-D231 WeakPolarHBondContact CE-OD1 3.33Å; D231-V233 HydrophobicContact CB-CG1 4.18Å; D231-V233 PolarHBondContact O-N 2.98Å; D231-W238 VanDerWaalsContact C-CE3 3.5Å; D231-W238 CarbonylContact O-C 3.6Å; D231-W238 VanDerWaalsContact O-CA 3.3Å; D231-W238 WeakPolarHBondContact O-CA 3.22Å; D231-E239 PolarHBondContact N-O 2.94Å; D231-E239 PolarHBondContact O-N 3.07Å; D231-R241 HydrophobicContact CB-CG 4.26Å; D231-R241 WeakPolarHBondContact OD2-CG 3.43Å; D231-R241 IonicContact OD2-CZ 3.94Å; D231-R241 IonicContact OD2-NE 2.95Å; D231-R241 PolarHBondContact OD2-NE 3.35Å
232E94.6Very high93.3Very high81 Ų8164.5 Ų64.538%0.37934%0.335SS..EExtended strand (participates in β ladder)trans-79.795.2164.4-168.8173.2-155.900108.9S234 N236 K237 W238E232-S234 VanDerWaalsContact C-N 3.34Å; E232-S234 VanDerWaalsContact CG-O 3.24Å; E232-S234 WeakPolarHBondContact CG-O 3.33Å; E232-N236 PolarHBondContact OE1-N 2.96Å; E232-K237 CarbonylContact C-O 3.57Å; E232-K237 WeakPolarHBondContact CA-O 3.45Å; E232-W238 HydrophobicContact CB-CD2 3.93Å; E232-W238 HydrophobicContact CB-CE3 3.86Å; E232-W238 HydrophobicContact CB-CH2 3.69Å; E232-W238 HydrophobicContact CB-CZ2 3.74Å; E232-W238 HydrophobicContact CB-CZ3 3.75Å; E232-W238 HydrophobicContact CG-CD2 4.37Å; E232-W238 HydrophobicContact CG-CZ2 4.07Å; E232-W238 VanDerWaalsContact N-CE3 3.34Å
233V93.8Very high93.3Very high60 Ų6065 Ų6536%0.36434%0.339SS..EExtended strand (participates in β ladder)trans-79.1-21.5-176.2-63.50000112.7D231 K237 E239D231-V233 HydrophobicContact CB-CG1 4.18Å; D231-V233 PolarHBondContact O-N 2.98Å; V233-K237 HydrophobicContact CG2-CB 4.28Å; V233-K237 HydrophobicContact CG2-CD 3.84Å; V233-K237 HydrophobicContact CG2-CG 3.97Å; V233-K237 WeakPolarHBondContact CG2-O 3.32Å; V233-K237 PolarHBondContact N-O 3.1Å; V233-E239 HydrophobicContact CG1-CB 4.11Å; V233-E239 HydrophobicContact CG1-CG 4.19Å; V233-E239 HydrophobicContact CG2-CG 3.85Å
234S91.4Very high93.3Very high63 Ų6364.7 Ų64.744%0.44134%0.337SS..EExtended strand (participates in β ladder)trans-157.4163.7169.764.40000108.1E232 N236 K237E232-S234 VanDerWaalsContact C-N 3.34Å; E232-S234 VanDerWaalsContact CG-O 3.24Å; E232-S234 WeakPolarHBondContact CG-O 3.33Å; S234-N236 PolarHBondContact O-N 3.48Å; S234-N236 VanDerWaalsContact O-N 3.12Å; S234-K237 WeakPolarHBondContact O-CA 3.38Å; S234-K237 WeakPolarHBondContact O-CB 3.38Å; S234-K237 PolarHBondContact O-N 3.09Å; S234-K237 WeakPolarHBondContact OG-CB 3.38Å
235S89Confident93.1Very high104 Ų10463.2 Ų63.273%0.72733%0.334SS*.THydrogen-bonded Turntrans-46.3121.2-177.1-177.40000112.4K237S235-K237 PolarHBondContact O-N 3.2Å; S235-K237 VanDerWaalsContact O-N 3.15Å
236N85.6Confident92.6Very high126 Ų12667 Ų6767%0.67436%0.36SS*.THydrogen-bonded Turntrans59.712.2-176.7-62-58.8000116.3E232 S234E232-N236 PolarHBondContact OE1-N 2.96Å; S234-N236 PolarHBondContact O-N 3.48Å; S234-N236 VanDerWaalsContact O-N 3.12Å
237K92.6Very high91.7Very high106 Ų10665.7 Ų65.746%0.46136%0.363SS..EExtended strand (participates in β ladder)trans-109.2111.2176.3-170.8-173.6170.5-149.80110.1E232 V233 S234 S235 E239E232-K237 CarbonylContact C-O 3.57Å; E232-K237 WeakPolarHBondContact CA-O 3.45Å; V233-K237 HydrophobicContact CG2-CB 4.28Å; V233-K237 HydrophobicContact CG2-CD 3.84Å; V233-K237 HydrophobicContact CG2-CG 3.97Å; V233-K237 WeakPolarHBondContact CG2-O 3.32Å; V233-K237 PolarHBondContact N-O 3.1Å; S234-K237 WeakPolarHBondContact O-CA 3.38Å; S234-K237 WeakPolarHBondContact O-CB 3.38Å; S234-K237 PolarHBondContact O-N 3.09Å; S234-K237 WeakPolarHBondContact OG-CB 3.38Å; S235-K237 PolarHBondContact O-N 3.2Å; S235-K237 VanDerWaalsContact O-N 3.15Å; K237-E239 VanDerWaalsContact CE-OE1 3.24Å; K237-E239 WeakPolarHBondContact CE-OE1 3.47Å; K237-E239 IonicContact NZ-OE1 3.17Å; K237-E239 PolarHBondContact NZ-OE1 2.87Å
238W94.8Very high90.9Very high33 Ų3370 Ų7013%0.12538%0.38CS..EExtended strand (participates in β ladder)trans-110.6126-176.8-63.784.9000112.4M180 F201 Y204 R205 D231 E232M180-W238 HydrophobicContact CE-CH2 3.68Å; M180-W238 HydrophobicContact CE-CZ2 3.96Å; F201-W238 HydrophobicContact CE1-CB 4.13Å; F201-W238 AromaticContact CE1-CD2 3.75Å; F201-W238 HydrophobicContact CE1-CD2 3.75Å; F201-W238 AromaticContact CE1-CE3 3.7Å; F201-W238 HydrophobicContact CE1-CE3 3.7Å; F201-W238 AromaticContact CE1-CG 3.95Å; F201-W238 HydrophobicContact CE1-CG 3.95Å; F201-W238 HydrophobicContact CE1-CZ3 4.37Å; F201-W238 AromaticContact CZ-CD2 3.78Å; F201-W238 HydrophobicContact CZ-CD2 3.78Å; F201-W238 AromaticContact CZ-CE3 3.61Å; F201-W238 HydrophobicContact CZ-CE3 3.61Å; F201-W238 HydrophobicContact CZ-CG 4.4Å; F201-W238 HydrophobicContact CZ-CH2 4.19Å; F201-W238 HydrophobicContact CZ-CZ2 4.35Å; F201-W238 AromaticContact CZ-CZ3 3.82Å; F201-W238 HydrophobicContact CZ-CZ3 3.82Å; Y204-W238 HydrophobicContact CE1-CZ2 4.37Å; Y204-W238 AromaticContact CE1-NE1 3.89Å; R205-W238 HydrophobicContact CB-CB 3.93Å; R205-W238 HydrophobicContact CB-CG 4.23Å; R205-W238 PolarHBondContact NH1-O 3.04Å; D231-W238 VanDerWaalsContact C-CE3 3.5Å; D231-W238 CarbonylContact O-C 3.6Å; D231-W238 VanDerWaalsContact O-CA 3.3Å; D231-W238 WeakPolarHBondContact O-CA 3.22Å; E232-W238 HydrophobicContact CB-CD2 3.93Å; E232-W238 HydrophobicContact CB-CE3 3.86Å; E232-W238 HydrophobicContact CB-CH2 3.69Å; E232-W238 HydrophobicContact CB-CZ2 3.74Å; E232-W238 HydrophobicContact CB-CZ3 3.75Å; E232-W238 HydrophobicContact CG-CD2 4.37Å; E232-W238 HydrophobicContact CG-CZ2 4.07Å; E232-W238 VanDerWaalsContact N-CE3 3.34Å
239E94.7Very high90.3Very high67 Ų6772.5 Ų72.531%0.31340%0.399SS..EExtended strand (participates in β ladder)trans-114.1137.1177.2-67.9-177.3-175.400110.5Y230 D231 V233 K237 R241Y230-E239 CarbonylContact C-O 3.55Å; Y230-E239 VanDerWaalsContact CA-O 3.26Å; Y230-E239 WeakPolarHBondContact CA-O 3.34Å; D231-E239 PolarHBondContact N-O 2.94Å; D231-E239 PolarHBondContact O-N 3.07Å; V233-E239 HydrophobicContact CG1-CB 4.11Å; V233-E239 HydrophobicContact CG1-CG 4.19Å; V233-E239 HydrophobicContact CG2-CG 3.85Å; K237-E239 VanDerWaalsContact CE-OE1 3.24Å; K237-E239 WeakPolarHBondContact CE-OE1 3.47Å; K237-E239 IonicContact NZ-OE1 3.17Å; K237-E239 PolarHBondContact NZ-OE1 2.87Å; E239-R241 IonicContact OE2-NH2 3.83Å
240M93.2Very high89.7Confident101 Ų10173.5 Ų73.550%0.49840%0.4SS..EExtended strand (participates in β ladder)trans-72.4138.5177.8-173.3-177.5-68.900110.2I228 M229 Y230I228-M240 HydrophobicContact CG2-CE 3.98Å; I228-M240 HydrophobicContact CG2-CG 4.27Å; I228-M240 HydrophobicContact CG2-SD 4.34Å; M229-M240 WeakPolarHBondContact O-CA 3.45Å; Y230-M240 HydrophobicContact CD1-CB 4.06Å; Y230-M240 HydrophobicContact CE1-CB 3.96Å; Y230-M240 HydrophobicContact CE1-CE 3.87Å; Y230-M240 HydrophobicContact CE1-CG 4.3Å; Y230-M240 WeakPolarHBondContact OH-CE 3.4Å
241R93.4Very high89Confident104 Ų10479.5 Ų79.539%0.39243%0.434SS..EExtended strand (participates in β ladder)trans-123.6156.2174.3-63.6-61.4-170.8-163.6-12.1111.3M229 D231 E239M229-R241 HydrophobicContact CB-CB 4.49Å; M229-R241 HydrophobicContact CG-CB 4.29Å; M229-R241 PolarHBondContact O-N 2.79Å; M229-R241 HydrophobicContact SD-CB 4.44Å; D231-R241 HydrophobicContact CB-CG 4.26Å; D231-R241 WeakPolarHBondContact OD2-CG 3.43Å; D231-R241 IonicContact OD2-CZ 3.94Å; D231-R241 IonicContact OD2-NE 2.95Å; D231-R241 PolarHBondContact OD2-NE 3.35Å; E239-R241 IonicContact OE2-NH2 3.83Å
242P92.6Very high88.2Confident111 Ų11182.1 Ų82.172%0.72146%0.456SS*.  trans-57.4129.4164.5-20.132.6000109.6
243P93.9Very high87.5Confident25 Ų2585.8 Ų85.816%0.16248%0.479CS..  trans-66.2152.4172.930.9-36.2000110C227 M229 V245C227-P243 HydrophobicContact CB-CB 3.89Å; C227-P243 HydrophobicContact CB-CG 4.35Å; M229-P243 HydrophobicContact CB-CB 4.35Å; P243-V245 PolarHBondContact O-N 3.01Å
244P92.6Very high86.7Confident43 Ų4388.2 Ų88.228%0.27949%0.49SS..SBendtrans-56.9-38.4178.2-25.133.8000112.8F72 L75 A77 M229F72-P244 HydrophobicContact CD1-CB 4.34Å; F72-P244 HydrophobicContact CD1-CG 4.13Å; F72-P244 HydrophobicContact CE1-CB 4.25Å; F72-P244 HydrophobicContact CE1-CG 3.76Å; F72-P244 HydrophobicContact CZ-CB 4.34Å; F72-P244 HydrophobicContact CZ-CG 4.1Å; L75-P244 HydrophobicContact CD1-CB 4.36Å; L75-P244 WeakPolarHBondContact CD1-O 3.5Å; A77-P244 HydrophobicContact CB-CB 3.6Å; A77-P244 HydrophobicContact CB-CG 3.4Å; A77-P244 VanDerWaalsContact CB-CG 3.4Å; M229-P244 HydrophobicContact SD-CG 4.44Å
245V91.8Very high86Confident21 Ų2188.5 Ų88.513%0.12750%0.496CS..SBendtrans-119.1117.6175.5-1730000108V68 E71 F72 L75 P243V68-V245 HydrophobicContact CG1-CB 4.36Å; V68-V245 HydrophobicContact CG1-CG1 4.33Å; V68-V245 HydrophobicContact CG2-CG1 4.42Å; E71-V245 HydrophobicContact CB-CG2 3.77Å; E71-V245 HydrophobicContact CG-CG1 4.36Å; E71-V245 HydrophobicContact CG-CG2 3.51Å; F72-V245 HydrophobicContact CD2-CB 3.93Å; F72-V245 HydrophobicContact CD2-CG2 3.36Å; F72-V245 HydrophobicContact CE2-CB 3.71Å; F72-V245 HydrophobicContact CE2-CG2 3.67Å; F72-V245 HydrophobicContact CG-CG2 4.32Å; L75-V245 HydrophobicContact CD1-CG2 4.11Å; P243-V245 PolarHBondContact O-N 3.01Å
246C85.5Confident85.5Confident87 Ų8791.9 Ų91.959%0.58849%0.494SS*.  trans-71.4173.6171.7-70.80000111F248C246-F248 PolarHBondContact O-N 2.91Å
247S73.8Confident85.3Confident55 Ų5589.7 Ų89.739%0.38548%0.482SS..  trans-51.6140.5177.555.10000111.6P249S247-P249 WeakPolarHBondContact O-CD 3.39Å
248F76.8Confident84.9Confident104 Ų10493.5 Ų93.546%0.45649%0.494SS..  trans-109.372.8174.4-176.3-155.1000109.8T64 C246T64-F248 HydrophobicContact CG2-CD1 4.09Å; T64-F248 HydrophobicContact CG2-CE1 3.82Å; C246-F248 PolarHBondContact O-N 2.91Å
249P79.9Confident84.5Confident96 Ų9699 Ų9962%0.62352%0.519SS*.  trans-75.2142-178.532.9-35.5000110.7S247S247-P249 WeakPolarHBondContact O-CD 3.39Å
250Y83Confident83.9Confident78 Ų7898.6 Ų98.631%0.30652%0.52SS..  trans-144.2147.5165.757.3-86.5000107.2E5 T64E5-Y250 WeakPolarHBondContact CB-OH 3.27Å; E5-Y250 WeakPolarHBondContact OE2-CE2 3.48Å; E5-Y250 PolarHBondContact OE2-OH 3.27Å; T64-Y250 HydrophobicContact CG2-CD1 4.48Å; T64-Y250 HydrophobicContact CG2-CE1 3.75Å
251D81.7Confident83.2Confident150 Ų15098.2 Ų98.280%0.80253%0.525SS*.PPolyproline II helixtrans-76.8158.8-178.4-69.3-36.9000111.5N253D251-N253 PolarHBondContact O-N 2.85Å
252S77.7Confident82.1Confident109 Ų10997.4 Ų97.476%0.76255%0.549SS*.PPolyproline II helixtrans-57.2132.3169.252.10000109.8
253N79.3Confident80.6Confident158 Ų15899.8 Ų99.885%0.84555%0.548SS*.PPolyproline II helixtrans-100.4118.5176.3-172.731.4000109.4D251D251-N253 PolarHBondContact O-N 2.85Å
254D78.7Confident78.7Confident112 Ų112108.9 Ų108.960%0.59960%0.595SS**PPolyproline II helixtrans-66.1145.1-176.6-70.4-36000112Y256D254-Y256 PolarHBondContact O-N 3.09Å
255A75.8Confident78Confident68 Ų68112.2 Ų112.256%0.56261%0.611SS**PPolyproline II helixtrans-72.8122.3173.500000110
256Y78.5Confident77.3Confident176 Ų176117 Ų11769%0.6964%0.636SS**PPolyproline II helixtrans-84.3118.4175.3178.2-108000111.4D254 W258D254-Y256 PolarHBondContact O-N 3.09Å; Y256-W258 HydrophobicContact CD1-CB 4.2Å; Y256-W258 VanDerWaalsContact CE1-CA 3.5Å; Y256-W258 HydrophobicContact CE1-CB 3.6Å
257N80.3Confident76.9Confident80 Ų80118.7 Ų118.743%0.42864%0.639SS.*  trans-95.399.7170.7-172.4-8.6000111.4K259 T260N257-K259 PolarHBondContact O-N 3.03Å; N257-K259 WeakPolarHBondContact OD1-CB 3.42Å; N257-K259 PolarHBondContact OD1-N 3.2Å; N257-T260 PolarHBondContact ND2-OG1 3.09Å; N257-T260 CarbonylContact O-C 3.46Å; N257-T260 VanDerWaalsContact O-C 3.25Å; N257-T260 PolarHBondContact O-N 3.21Å; N257-T260 VanDerWaalsContact O-N 3.09Å
258W84.3Confident77Confident186 Ų186122.4 Ų122.471%0.70565%0.654SS**THydrogen-bonded Turntrans-63.2-22.3179.971.3-94.9000114.1Y256 T260Y256-W258 HydrophobicContact CD1-CB 4.2Å; Y256-W258 VanDerWaalsContact CE1-CA 3.5Å; Y256-W258 HydrophobicContact CE1-CB 3.6Å; W258-T260 VanDerWaalsContact C-N 3.28Å
259K86.6Confident77.1Confident149 Ų149123.6 Ų123.665%0.64867%0.666SS**THydrogen-bonded Turntrans-75.4-21177.5-64.3-177.7178.6176.10112.2N257N257-K259 PolarHBondContact O-N 3.03Å; N257-K259 WeakPolarHBondContact OD1-CB 3.42Å; N257-K259 PolarHBondContact OD1-N 3.2Å
260T82.4Confident76.9Confident57 Ų57125.4 Ų125.435%0.3567%0.669SS.*SBendtrans-136.866.5-179.956.10000110.2N257 W258 G262 K263N257-T260 PolarHBondContact ND2-OG1 3.09Å; N257-T260 CarbonylContact O-C 3.46Å; N257-T260 VanDerWaalsContact O-C 3.25Å; N257-T260 PolarHBondContact O-N 3.21Å; N257-T260 VanDerWaalsContact O-N 3.09Å; W258-T260 VanDerWaalsContact C-N 3.28Å; T260-G262 PolarHBondContact O-N 3.18Å; T260-K263 PolarHBondContact O-N 3.19Å
261P78.9Confident76.4Confident93 Ų93128.8 Ų128.860%0.60470%0.695SS**THydrogen-bonded Turntrans-57.1126.2179.124.8-32.9000109.9
262G69.9Low76Confident87 Ų87127.2 Ų127.290%0.89769%0.687SS**THydrogen-bonded Turntrans91.2-0.8177.800000116.3T260T260-G262 PolarHBondContact O-N 3.18Å
263K60.5Low75.9Confident161 Ų161128.7 Ų128.770%0.768%0.68SS**  trans-99.5117.3163.9-72.4-171.8176.4-176.80109.1T260T260-K263 PolarHBondContact O-N 3.19Å
264L55.7Low75.6Confident217 Ų217126 Ų126100%1.13667%0.665SS**  trans-66.90157.3-71.8168.5000109.1

Retrieved 264 of 264 residues in 197.3 ms (Link to these results)

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