A0A5K4F5D0_SCHMA Loading...

25 kDa integral membrane protein

AlphaFold DB , UniProt , Accession A0A5K4F5D0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 238 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
1M41.6Very low59Low119 Ų11989.8 Ų89.859%0.58647%0.473SS*.  082.80-175.6172.1170.600107.3N80 K217M1-N80 PolarHBondContact O-ND2 2.94Å; M1-N80 PolarHBondContact O-OD1 2.99Å; M1-K217 HydrophobicContact CE-CG 4.13Å
2N37.7Very low61.2Low108 Ų10892.8 Ų92.858%0.57848%0.479SS*.  trans-65.4153.7170.3-58.6-22000107P4 K220N2-P4 WeakPolarHBondContact O-CD 3.48Å; N2-K220 PolarHBondContact O-NZ 2.89Å
3L52Low63.3Low61 Ų6190.9 Ų90.932%0.31947%0.47SS..  trans-97.361.6172.7-157.782.5000109.8I5L3-I5 PolarHBondContact O-N 3.24Å
4P46.1Very low65.1Low111 Ų11185.9 Ų85.972%0.72144%0.443SS*.THydrogen-bonded Turntrans-75.421178.736.9-37.4000112.1N2N2-P4 WeakPolarHBondContact O-CD 3.48Å
5I51.1Low66.8Low67 Ų6784 Ų8434%0.34444%0.436SS..THydrogen-bonded Turntrans-104.8-12.1-161.9-55.9162.2000111.6L3 G7 S216L3-I5 PolarHBondContact O-N 3.24Å; I5-G7 VanDerWaalsContact C-N 3.34Å; I5-G7 PolarHBondContact O-N 3.25Å; I5-S216 WeakPolarHBondContact CD1-OG 3.5Å
6L54.1Low68.3Low46 Ų4686.9 Ų86.924%0.24145%0.445CS..SBendtrans-80.791.7174.6-144.263.3000107T11 F14 M212L6-T11 PolarHBondContact O-OG1 3.42Å; L6-F14 HydrophobicContact CD2-CB 4.27Å; L6-M212 HydrophobicContact CD1-CE 4.15Å
7G63.6Low69.8Low43 Ų4384.8 Ų84.844%0.44343%0.432SS..  trans-47.5153.4173.200000110.3I5 H9 S10 T11I5-G7 VanDerWaalsContact C-N 3.34Å; I5-G7 PolarHBondContact O-N 3.25Å; G7-H9 CarbonylContact O-C 3.54Å; G7-H9 PolarHBondContact O-N 3.38Å; G7-S10 PolarHBondContact O-N 3.34Å; G7-T11 PolarHBondContact O-N 3.17Å
8R68.9Low71.1Confident201 Ų20180.1 Ų80.176%0.75841%0.408SS*.Hα-helixtrans-45.7-32.7-172.8-171175.1-1701752114.2K12R8-K12 WeakPolarHBondContact O-CG 3.47Å; R8-K12 PolarHBondContact O-N 3.48Å
9H72.4Confident72.3Confident158 Ų15879.1 Ų79.173%0.73141%0.408SS*.Hα-helixtrans-67.5-46.7175.4-67.3-80.7000113.4G7 T11 K12 L13G7-H9 CarbonylContact O-C 3.54Å; G7-H9 PolarHBondContact O-N 3.38Å; H9-T11 PolarHBondContact O-N 3.48Å; H9-K12 PolarHBondContact O-N 3.42Å; H9-L13 PolarHBondContact O-N 3.07Å
10S78.9Confident73.4Confident31 Ų3177.6 Ų77.622%0.21740%0.4CS..Hα-helixtrans-70.1-32.2-175.8-58.60000112.1G7 L13 F14G7-S10 PolarHBondContact O-N 3.34Å; S10-L13 PolarHBondContact O-N 3.4Å; S10-F14 PolarHBondContact O-N 3.36Å
11T82.8Confident74.5Confident43 Ų4373.9 Ų73.926%0.26438%0.381SS..Hα-helixtrans-68.3-42.1173.4-52.30000112L6 G7 H9 L13 F14 V15 I75L6-T11 PolarHBondContact O-OG1 3.42Å; G7-T11 PolarHBondContact O-N 3.17Å; H9-T11 PolarHBondContact O-N 3.48Å; T11-L13 VanDerWaalsContact C-N 3.29Å; T11-L13 PolarHBondContact O-N 3.22Å; T11-F14 PolarHBondContact O-N 3.01Å; T11-V15 WeakPolarHBondContact O-CG2 3.35Å; T11-V15 PolarHBondContact O-N 3.11Å; T11-I75 HydrophobicContact CG2-CD1 4.21Å; T11-I75 HydrophobicContact CG2-CG2 4.2Å
12K85.8Confident77.2Confident126 Ų12670.1 Ų70.155%0.54836%0.363SS..Hα-helixtrans-60.1-42.1174.2-72.5175.7178.9-175.60111.2R8 H9 V15 F16R8-K12 WeakPolarHBondContact O-CG 3.47Å; R8-K12 PolarHBondContact O-N 3.48Å; H9-K12 PolarHBondContact O-N 3.42Å; K12-V15 PolarHBondContact O-N 2.95Å; K12-F16 WeakPolarHBondContact O-CB 3.49Å; K12-F16 PolarHBondContact O-N 3.29Å
13L87.4Confident80Confident68 Ų6868.2 Ų68.236%0.35636%0.356SS..Hα-helixtrans-62.5-44.4177-172.464.8000111.7H9 S10 T11 F16 F17 F208H9-L13 PolarHBondContact O-N 3.07Å; S10-L13 PolarHBondContact O-N 3.4Å; T11-L13 VanDerWaalsContact C-N 3.29Å; T11-L13 PolarHBondContact O-N 3.22Å; L13-F16 WeakPolarHBondContact O-CB 2.84Å; L13-F16 PolarHBondContact O-N 3.4Å; L13-F17 HydrophobicContact CD1-CD2 3.96Å; L13-F17 HydrophobicContact CD1-CE2 3.49Å; L13-F17 VanDerWaalsContact CD1-CE2 3.49Å; L13-F17 HydrophobicContact CD1-CZ 4.46Å; L13-F17 HydrophobicContact CD2-CE2 4.29Å; L13-F17 HydrophobicContact CG-CD2 3.89Å; L13-F17 HydrophobicContact CG-CE2 3.7Å; L13-F17 VanDerWaalsContact O-CD2 3.28Å; L13-F17 WeakPolarHBondContact O-CD2 3.32Å; L13-F17 PolarHBondContact O-N 3Å; L13-F208 HydrophobicContact CD2-CE1 4.03Å; L13-F208 HydrophobicContact CD2-CZ 4.22Å
14F88.8Confident82Confident21 Ų2167.6 Ų67.69%0.09235%0.351CS..Hα-helixtrans-59-48.8175.8-179.7-79.5000111.7L6 S10 T11 F16 F17 N18 I75 M83 H86 Y205L6-F14 HydrophobicContact CD2-CB 4.27Å; S10-F14 PolarHBondContact O-N 3.36Å; T11-F14 PolarHBondContact O-N 3.01Å; F14-F16 VanDerWaalsContact C-N 3.32Å; F14-F16 PolarHBondContact O-N 3.39Å; F14-F17 PolarHBondContact O-N 2.99Å; F14-N18 VanDerWaalsContact CD1-ND2 3.26Å; F14-N18 WeakPolarHBondContact CD1-ND2 3.31Å; F14-N18 WeakPolarHBondContact CE1-ND2 3.48Å; F14-N18 WeakPolarHBondContact CZ-ND2 3Å; F14-N18 PolarHBondContact O-N 3Å; F14-N18 PolarHBondContact O-ND2 2.95Å; F14-I75 HydrophobicContact CD1-CD1 3.21Å; F14-I75 HydrophobicContact CD1-CG1 3.97Å; F14-I75 HydrophobicContact CE1-CD1 3.47Å; F14-I75 VanDerWaalsContact CE1-CD1 3.47Å; F14-I75 HydrophobicContact CE1-CG1 3.8Å; F14-I75 HydrophobicContact CG-CD1 4.21Å; F14-M83 HydrophobicContact CE2-SD 4.43Å; F14-M83 HydrophobicContact CZ-CE 4.42Å; F14-M83 HydrophobicContact CZ-SD 4.01Å; F14-H86 AromaticContact CE2-NE2 3.87Å; F14-H86 AromaticContact CZ-CD2 3.83Å; F14-H86 AromaticContact CZ-NE2 3.72Å; F14-Y205 HydrophobicContact CD2-CE2 4.28Å; F14-Y205 WeakPolarHBondContact CD2-OH 3.33Å; F14-Y205 WeakPolarHBondContact CE2-OH 3.41Å; F14-Y205 WeakPolarHBondContact CZ-OH 3.42Å
15V90.5Very high84.5Confident57 Ų5762.3 Ų62.335%0.34532%0.316SS..Hα-helixtrans-61.5-43.2178.6173.60000110.6T11 K12 F17 N18 C19 I75T11-V15 WeakPolarHBondContact O-CG2 3.35Å; T11-V15 PolarHBondContact O-N 3.11Å; K12-V15 PolarHBondContact O-N 2.95Å; V15-F17 PolarHBondContact O-N 3.24Å; V15-N18 PolarHBondContact O-N 3.09Å; V15-C19 PolarHBondContact O-N 3.06Å; V15-C19 PolarHBondContact O-SG 2.98Å; V15-I75 HydrophobicContact CG2-CD1 3.53Å
16F91.9Very high86.7Confident131 Ų13163.9 Ų63.958%0.57532%0.324SS*.Hα-helixtrans-57.1-49.9177173.1-98.9000112.4K12 L13 F14 N18 C19 L20K12-F16 WeakPolarHBondContact O-CB 3.49Å; K12-F16 PolarHBondContact O-N 3.29Å; L13-F16 WeakPolarHBondContact O-CB 2.84Å; L13-F16 PolarHBondContact O-N 3.4Å; F14-F16 VanDerWaalsContact C-N 3.32Å; F14-F16 PolarHBondContact O-N 3.39Å; F16-N18 PolarHBondContact O-N 3.12Å; F16-C19 PolarHBondContact O-N 3.5Å; F16-L20 WeakPolarHBondContact O-CB 3.29Å; F16-L20 PolarHBondContact O-N 3.39Å
17F93Very high88.8Confident51 Ų5164.9 Ų64.922%0.22433%0.329CS..Hα-helixtrans-64.3-39177.6-82-68.6000112.7L13 F14 V15 L20 F21 Y205L13-F17 HydrophobicContact CD1-CD2 3.96Å; L13-F17 HydrophobicContact CD1-CE2 3.49Å; L13-F17 VanDerWaalsContact CD1-CE2 3.49Å; L13-F17 HydrophobicContact CD1-CZ 4.46Å; L13-F17 HydrophobicContact CD2-CE2 4.29Å; L13-F17 HydrophobicContact CG-CD2 3.89Å; L13-F17 HydrophobicContact CG-CE2 3.7Å; L13-F17 VanDerWaalsContact O-CD2 3.28Å; L13-F17 WeakPolarHBondContact O-CD2 3.32Å; L13-F17 PolarHBondContact O-N 3Å; F14-F17 PolarHBondContact O-N 2.99Å; V15-F17 PolarHBondContact O-N 3.24Å; F17-L20 HydrophobicContact CD1-CD2 4.22Å; F17-L20 WeakPolarHBondContact O-CB 3.29Å; F17-L20 PolarHBondContact O-N 3.34Å; F17-F21 HydrophobicContact CB-CE2 4.38Å; F17-F21 HydrophobicContact CB-CZ 4.34Å; F17-F21 HydrophobicContact CD1-CE1 4.4Å; F17-F21 HydrophobicContact CD1-CZ 4.36Å; F17-F21 WeakPolarHBondContact O-CB 3.27Å; F17-F21 WeakPolarHBondContact O-CD1 3.33Å; F17-F21 WeakPolarHBondContact O-CD2 3.38Å; F17-F21 WeakPolarHBondContact O-CG 3.46Å; F17-F21 PolarHBondContact O-N 3.14Å; F17-Y205 HydrophobicContact CB-CD2 3.72Å; F17-Y205 HydrophobicContact CB-CE2 3.83Å; F17-Y205 HydrophobicContact CD2-CD2 4.07Å; F17-Y205 AromaticContact CG-CD2 3.89Å; F17-Y205 HydrophobicContact CG-CD2 3.89Å; F17-Y205 HydrophobicContact CG-CE2 4.41Å
18N93.6Very high90.4Very high0 Ų062.9 Ų62.90%031%0.308CS..Hα-helixtrans-64.2-41.9176.3-82.5-89.8000111.9F14 V15 F16 L20 F21 I22 T68 I72 H86 Y205F14-N18 VanDerWaalsContact CD1-ND2 3.26Å; F14-N18 WeakPolarHBondContact CD1-ND2 3.31Å; F14-N18 WeakPolarHBondContact CE1-ND2 3.48Å; F14-N18 WeakPolarHBondContact CZ-ND2 3Å; F14-N18 PolarHBondContact O-N 3Å; F14-N18 PolarHBondContact O-ND2 2.95Å; V15-N18 PolarHBondContact O-N 3.09Å; F16-N18 PolarHBondContact O-N 3.12Å; N18-L20 VanDerWaalsContact C-N 3.32Å; N18-L20 PolarHBondContact O-N 3.04Å; N18-F21 PolarHBondContact O-N 3.41Å; N18-I22 WeakPolarHBondContact O-CG1 3.49Å; N18-I22 PolarHBondContact O-N 2.9Å; N18-T68 WeakPolarHBondContact OD1-CA 3.47Å; N18-I72 HydrophobicContact CB-CG1 4.3Å; N18-H86 PolarHBondContact OD1-CE1 3.26Å; N18-Y205 PolarHBondContact ND2-OH 2.77Å; N18-Y205 VanDerWaalsContact ND2-OH 3.15Å
19C94.1Very high91.8Very high61 Ų6154.7 Ų54.741%0.41228%0.279SS..Hα-helixtrans-60.6-43172.3-68.40000111.4V15 F16 F21 I22 T23V15-C19 PolarHBondContact O-N 3.06Å; V15-C19 PolarHBondContact O-SG 2.98Å; F16-C19 PolarHBondContact O-N 3.5Å; C19-F21 VanDerWaalsContact C-N 3.32Å; C19-F21 PolarHBondContact O-N 3.34Å; C19-I22 PolarHBondContact O-N 3Å; C19-T23 WeakPolarHBondContact O-CG2 2.87Å; C19-T23 PolarHBondContact O-N 3.02Å
20L94.7Very high93.1Very high48 Ų4849.6 Ų49.625%0.25127%0.265SS..Hα-helixtrans-60-42.8175.9-175.466.7000111.5F16 F17 N18 I22 T23 F24F16-L20 WeakPolarHBondContact O-CB 3.29Å; F16-L20 PolarHBondContact O-N 3.39Å; F17-L20 HydrophobicContact CD1-CD2 4.22Å; F17-L20 WeakPolarHBondContact O-CB 3.29Å; F17-L20 PolarHBondContact O-N 3.34Å; N18-L20 VanDerWaalsContact C-N 3.32Å; N18-L20 PolarHBondContact O-N 3.04Å; L20-I22 PolarHBondContact O-N 2.98Å; L20-T23 PolarHBondContact O-N 2.98Å; L20-T23 VanDerWaalsContact O-N 3.16Å; L20-T23 PolarHBondContact O-OG1 3.08Å; L20-F24 HydrophobicContact CD1-CD2 4.06Å; L20-F24 HydrophobicContact CD1-CE2 3.52Å; L20-F24 HydrophobicContact CD1-CZ 4.22Å; L20-F24 HydrophobicContact CD2-CE2 3.9Å; L20-F24 HydrophobicContact CG-CD2 3.76Å; L20-F24 HydrophobicContact CG-CE2 3.46Å; L20-F24 VanDerWaalsContact CG-CE2 3.46Å; L20-F24 VanDerWaalsContact O-CD2 3.26Å; L20-F24 WeakPolarHBondContact O-CD2 3.25Å; L20-F24 PolarHBondContact O-N 3.46Å
21F96.2Very high93.9Very high0 Ų051 Ų510%027%0.267CS..Hα-helixtrans-66.5-36.5177.8-64.7-13.8000112.9F17 N18 C19 T23 F24 G25 T68 L90 F198 I201 H202 Y205F17-F21 HydrophobicContact CB-CE2 4.38Å; F17-F21 HydrophobicContact CB-CZ 4.34Å; F17-F21 HydrophobicContact CD1-CE1 4.4Å; F17-F21 HydrophobicContact CD1-CZ 4.36Å; F17-F21 WeakPolarHBondContact O-CB 3.27Å; F17-F21 WeakPolarHBondContact O-CD1 3.33Å; F17-F21 WeakPolarHBondContact O-CD2 3.38Å; F17-F21 WeakPolarHBondContact O-CG 3.46Å; F17-F21 PolarHBondContact O-N 3.14Å; N18-F21 PolarHBondContact O-N 3.41Å; C19-F21 VanDerWaalsContact C-N 3.32Å; C19-F21 PolarHBondContact O-N 3.34Å; F21-T23 VanDerWaalsContact C-N 3.33Å; F21-T23 PolarHBondContact O-N 3.41Å; F21-F24 PolarHBondContact O-N 3.38Å; F21-G25 PolarHBondContact O-N 3.27Å; F21-T68 HydrophobicContact CB-CG2 3.43Å; F21-T68 VanDerWaalsContact CB-CG2 3.43Å; F21-T68 HydrophobicContact CD2-CG2 4.04Å; F21-T68 HydrophobicContact CG-CG2 4.26Å; F21-L90 HydrophobicContact CD2-CD1 4.11Å; F21-L90 HydrophobicContact CE2-CD1 4.07Å; F21-F198 HydrophobicContact CB-CE2 4.22Å; F21-F198 HydrophobicContact CB-CZ 4.2Å; F21-F198 HydrophobicContact CD1-CD2 4.48Å; F21-F198 AromaticContact CD1-CE2 3.57Å; F21-F198 HydrophobicContact CD1-CE2 3.57Å; F21-F198 HydrophobicContact CD1-CZ 4.34Å; F21-F198 HydrophobicContact CE1-CE2 4.21Å; F21-F198 HydrophobicContact CG-CE2 4.11Å; F21-F198 HydrophobicContact CG-CZ 4.46Å; F21-I201 HydrophobicContact CE1-CG2 3.71Å; F21-I201 HydrophobicContact CZ-CG2 4.36Å; F21-H202 AromaticContact CD2-CD2 3.9Å; F21-H202 AromaticContact CD2-NE2 3.96Å; F21-H202 AromaticContact CE1-CD2 3.79Å; F21-H202 AromaticContact CE2-CD2 3.71Å; F21-H202 AromaticContact CG-NE2 3.85Å; F21-H202 AromaticContact CZ-CD2 3.63Å; F21-Y205 AromaticContact CE2-CD1 3.61Å; F21-Y205 HydrophobicContact CE2-CD1 3.61Å; F21-Y205 HydrophobicContact CE2-CD2 4.05Å; F21-Y205 AromaticContact CE2-CE1 3.95Å; F21-Y205 HydrophobicContact CE2-CE1 3.95Å; F21-Y205 HydrophobicContact CE2-CE2 4.36Å; F21-Y205 AromaticContact CE2-CG 3.65Å; F21-Y205 HydrophobicContact CE2-CG 3.65Å; F21-Y205 HydrophobicContact CZ-CD1 4.05Å; F21-Y205 HydrophobicContact CZ-CD2 4.19Å; F21-Y205 AromaticContact CZ-CG 3.7Å; F21-Y205 HydrophobicContact CZ-CG 3.7Å
22I97.4Very high94.7Very high40 Ų4049 Ų4921%0.20525%0.254CS..Hα-helixtrans-59.1-47.1170.4-68.1167.7000109.9N18 C19 L20 F24 G25 I26 T68 I72N18-I22 WeakPolarHBondContact O-CG1 3.49Å; N18-I22 PolarHBondContact O-N 2.9Å; C19-I22 PolarHBondContact O-N 3Å; L20-I22 PolarHBondContact O-N 2.98Å; I22-F24 PolarHBondContact O-N 2.97Å; I22-G25 PolarHBondContact O-N 3.11Å; I22-I26 HydrophobicContact CG2-CD1 4.03Å; I22-I26 WeakPolarHBondContact O-CG1 3.38Å; I22-I26 PolarHBondContact O-N 3.09Å; I22-T68 WeakPolarHBondContact CG1-OG1 3.28Å; I22-I72 HydrophobicContact CD1-CD1 4.05Å
23T96.3Very high95.2Very high69 Ų6947.3 Ų47.342%0.42325%0.249SC..Hα-helixtrans-62.1-43.5179.662.40000112.3C19 L20 F21 I26 I27C19-T23 WeakPolarHBondContact O-CG2 2.87Å; C19-T23 PolarHBondContact O-N 3.02Å; L20-T23 PolarHBondContact O-N 2.98Å; L20-T23 VanDerWaalsContact O-N 3.16Å; L20-T23 PolarHBondContact O-OG1 3.08Å; F21-T23 VanDerWaalsContact C-N 3.33Å; F21-T23 PolarHBondContact O-N 3.41Å; T23-I26 PolarHBondContact O-N 3.34Å; T23-I27 WeakPolarHBondContact O-CG1 3.26Å; T23-I27 PolarHBondContact O-N 3.29Å; T23-I27 VanDerWaalsContact O-N 3.1Å
24F95.3Very high95.7Very high48 Ų4848.6 Ų48.621%0.21125%0.252CS..Hα-helixtrans-65.4-41.6175.8-78-59.2000112.6L20 F21 I22 I26 I27 V28 F198 I201L20-F24 HydrophobicContact CD1-CD2 4.06Å; L20-F24 HydrophobicContact CD1-CE2 3.52Å; L20-F24 HydrophobicContact CD1-CZ 4.22Å; L20-F24 HydrophobicContact CD2-CE2 3.9Å; L20-F24 HydrophobicContact CG-CD2 3.76Å; L20-F24 HydrophobicContact CG-CE2 3.46Å; L20-F24 VanDerWaalsContact CG-CE2 3.46Å; L20-F24 VanDerWaalsContact O-CD2 3.26Å; L20-F24 WeakPolarHBondContact O-CD2 3.25Å; L20-F24 PolarHBondContact O-N 3.46Å; F21-F24 PolarHBondContact O-N 3.38Å; I22-F24 PolarHBondContact O-N 2.97Å; F24-I26 VanDerWaalsContact C-N 3.3Å; F24-I26 PolarHBondContact O-N 3.26Å; F24-I27 HydrophobicContact CD1-CD1 4.42Å; F24-I27 PolarHBondContact O-N 3.34Å; F24-I27 VanDerWaalsContact O-N 3.12Å; F24-V28 WeakPolarHBondContact O-CG2 3.16Å; F24-V28 PolarHBondContact O-N 3.45Å; F24-F198 HydrophobicContact CB-CD1 4.33Å; F24-F198 HydrophobicContact CB-CD2 3.69Å; F24-F198 HydrophobicContact CB-CE1 4.13Å; F24-F198 HydrophobicContact CB-CE2 3.45Å; F24-F198 VanDerWaalsContact CB-CE2 3.45Å; F24-F198 HydrophobicContact CB-CG 4.15Å; F24-F198 HydrophobicContact CB-CZ 3.68Å; F24-F198 AromaticContact CD2-CD2 3.93Å; F24-F198 HydrophobicContact CD2-CD2 3.93Å; F24-F198 AromaticContact CD2-CE2 3.93Å; F24-F198 HydrophobicContact CD2-CE2 3.93Å; F24-F198 AromaticContact CG-CD2 3.91Å; F24-F198 HydrophobicContact CG-CD2 3.91Å; F24-F198 HydrophobicContact CG-CE2 4Å; F24-I201 HydrophobicContact CE2-CD1 4.09Å; F24-I201 HydrophobicContact CZ-CD1 4.24Å
25G97.5Very high96.1Very high0 Ų047.6 Ų47.60%025%0.248CC..Hα-helixtrans-55.8-44.8174.900000112.1F21 I22 V28 I29F21-G25 PolarHBondContact O-N 3.27Å; I22-G25 PolarHBondContact O-N 3.11Å; G25-V28 PolarHBondContact O-N 3.37Å; G25-I29 WeakPolarHBondContact O-CD1 3.34Å; G25-I29 VanDerWaalsContact O-CG1 3.24Å; G25-I29 WeakPolarHBondContact O-CG1 3.48Å; G25-I29 PolarHBondContact O-N 3.11Å
26I98.3Very high96.4Very high99 Ų9946.2 Ų46.251%0.50824%0.24SC..Hα-helixtrans-62.5-44.1175.9-65.7167.2000111.2I22 T23 F24 I29 A30 I65I22-I26 HydrophobicContact CG2-CD1 4.03Å; I22-I26 WeakPolarHBondContact O-CG1 3.38Å; I22-I26 PolarHBondContact O-N 3.09Å; T23-I26 PolarHBondContact O-N 3.34Å; F24-I26 VanDerWaalsContact C-N 3.3Å; F24-I26 PolarHBondContact O-N 3.26Å; I26-I29 PolarHBondContact O-N 3.17Å; I26-A30 WeakPolarHBondContact O-CB 3.27Å; I26-A30 PolarHBondContact O-N 3.45Å; I26-I65 HydrophobicContact CG1-CD1 3.8Å
27I97.9Very high96.6Very high67 Ų6744 Ų4434%0.34424%0.238SC..Hα-helixtrans-61.2-48.3178.4-68.4165.5000110.4T23 F24 I29 A30 F31 L194T23-I27 WeakPolarHBondContact O-CG1 3.26Å; T23-I27 PolarHBondContact O-N 3.29Å; T23-I27 VanDerWaalsContact O-N 3.1Å; F24-I27 HydrophobicContact CD1-CD1 4.42Å; F24-I27 PolarHBondContact O-N 3.34Å; F24-I27 VanDerWaalsContact O-N 3.12Å; I27-I29 VanDerWaalsContact C-N 3.34Å; I27-I29 PolarHBondContact O-N 3.23Å; I27-A30 PolarHBondContact O-N 2.83Å; I27-F31 HydrophobicContact CG2-CD2 3.84Å; I27-F31 HydrophobicContact CG2-CE2 4.01Å; I27-F31 WeakPolarHBondContact O-CD2 3.5Å; I27-F31 PolarHBondContact O-N 3.31Å; I27-L194 HydrophobicContact CG2-CD1 4.25Å; I27-L194 HydrophobicContact CG2-CD2 4.4Å
28V97.4Very high96.7Very high2 Ų245.6 Ų45.61%0.01225%0.245CC..Hα-helixtrans-61.3-43179.7173.70000111F24 G25 A30 F31 G32 A57 L191 F198F24-V28 WeakPolarHBondContact O-CG2 3.16Å; F24-V28 PolarHBondContact O-N 3.45Å; G25-V28 PolarHBondContact O-N 3.37Å; V28-A30 PolarHBondContact O-N 3.43Å; V28-F31 PolarHBondContact O-N 2.78Å; V28-G32 PolarHBondContact O-N 3.03Å; V28-A57 HydrophobicContact CG1-CB 3.87Å; V28-A57 WeakPolarHBondContact CG1-O 3.07Å; V28-L191 HydrophobicContact CG1-CD1 4.27Å; V28-F198 HydrophobicContact CG2-CD1 4.47Å
29I98.4Very high96.8Very high29 Ų2946 Ų4615%0.14925%0.247CC..Hα-helixtrans-59.1-47.6174.2-70.8165000110.9G25 I26 I27 F31 G32 M33 T58 I65G25-I29 WeakPolarHBondContact O-CD1 3.34Å; G25-I29 VanDerWaalsContact O-CG1 3.24Å; G25-I29 WeakPolarHBondContact O-CG1 3.48Å; G25-I29 PolarHBondContact O-N 3.11Å; I26-I29 PolarHBondContact O-N 3.17Å; I27-I29 VanDerWaalsContact C-N 3.34Å; I27-I29 PolarHBondContact O-N 3.23Å; I29-F31 PolarHBondContact O-N 3.47Å; I29-G32 PolarHBondContact O-N 3.46Å; I29-M33 HydrophobicContact CG2-CE 3.56Å; I29-M33 HydrophobicContact CG2-SD 4.27Å; I29-M33 WeakPolarHBondContact O-CG 3.3Å; I29-M33 PolarHBondContact O-N 2.97Å; I29-T58 HydrophobicContact CG2-CG2 4.4Å; I29-I65 HydrophobicContact CD1-CD1 3.59Å
30A98.2Very high96.9Very high51 Ų5149.8 Ų49.842%0.42126%0.256SS..Hα-helixtrans-60.5-46.7-178.900000111.7I26 I27 V28 K34I26-A30 WeakPolarHBondContact O-CB 3.27Å; I26-A30 PolarHBondContact O-N 3.45Å; I27-A30 PolarHBondContact O-N 2.83Å; V28-A30 PolarHBondContact O-N 3.43Å; A30-K34 VanDerWaalsContact O-CB 3.31Å; A30-K34 WeakPolarHBondContact O-CB 3.34Å; A30-K34 PolarHBondContact O-N 3.41Å; A30-K34 VanDerWaalsContact O-N 3.09Å
31F97.4Very high96.9Very high61 Ų6155.7 Ų55.727%0.26828%0.275SS..Hα-helixtrans-69.4-36.1176.6-83.1-86.7000112.8I27 V28 I29 M33 K34 I190 L191 L194I27-F31 HydrophobicContact CG2-CD2 3.84Å; I27-F31 HydrophobicContact CG2-CE2 4.01Å; I27-F31 WeakPolarHBondContact O-CD2 3.5Å; I27-F31 PolarHBondContact O-N 3.31Å; V28-F31 PolarHBondContact O-N 2.78Å; I29-F31 PolarHBondContact O-N 3.47Å; F31-M33 VanDerWaalsContact C-N 3.32Å; F31-M33 PolarHBondContact O-N 2.97Å; F31-K34 PolarHBondContact O-N 2.91Å; F31-I190 HydrophobicContact CD1-CG2 3.82Å; F31-I190 HydrophobicContact CE1-CD1 4.49Å; F31-I190 HydrophobicContact CE1-CG2 3.79Å; F31-I190 HydrophobicContact CG-CG2 4.49Å; F31-I190 HydrophobicContact CZ-CG2 4.45Å; F31-L191 HydrophobicContact CB-CD1 4.25Å; F31-L194 HydrophobicContact CB-CD1 4.23Å; F31-L194 HydrophobicContact CD2-CD1 3.87Å; F31-L194 HydrophobicContact CE2-CD1 4.4Å; F31-L194 HydrophobicContact CG-CD1 3.99Å
32G97.7Very high96.9Very high0 Ų056 Ų560%028%0.276CS..Hα-helixtrans-61.2-37.6175.900000112.9V28 I29 P36 F54V28-G32 PolarHBondContact O-N 3.03Å; I29-G32 PolarHBondContact O-N 3.46Å; G32-P36 WeakPolarHBondContact O-CD 3.45Å; G32-P36 VanDerWaalsContact O-CG 3.26Å; G32-P36 WeakPolarHBondContact O-CG 3.43Å; G32-F54 WeakPolarHBondContact O-CD1 3.38Å
33M97.7Very high96.9Very high90 Ų9060.4 Ų60.444%0.44329%0.294SS..Hα-helixtrans-89.6-20.4179.6-63.5-168.8-56.500114.2I29 F31 L35 P36 T37 T58I29-M33 HydrophobicContact CG2-CE 3.56Å; I29-M33 HydrophobicContact CG2-SD 4.27Å; I29-M33 WeakPolarHBondContact O-CG 3.3Å; I29-M33 PolarHBondContact O-N 2.97Å; F31-M33 VanDerWaalsContact C-N 3.32Å; F31-M33 PolarHBondContact O-N 2.97Å; M33-L35 PolarHBondContact O-N 3.41Å; M33-P36 WeakPolarHBondContact O-CD 3.12Å; M33-T37 WeakPolarHBondContact O-CB 3.5Å; M33-T37 VanDerWaalsContact O-CG2 3.23Å; M33-T37 WeakPolarHBondContact O-CG2 3.48Å; M33-T37 PolarHBondContact O-N 3.46Å; M33-T37 PolarHBondContact O-OG1 3.46Å; M33-T58 HydrophobicContact CG-CG2 3.69Å; M33-T58 HydrophobicContact SD-CG2 4.08Å
34K97.8Very high96.9Very high95 Ų9563 Ų6341%0.41330%0.296SS..Hα-helixtrans-63.6-41.1-172.1-173.5161.2176.3-173.60114.1A30 F31 T37 K38 Y187A30-K34 VanDerWaalsContact O-CB 3.31Å; A30-K34 WeakPolarHBondContact O-CB 3.34Å; A30-K34 PolarHBondContact O-N 3.41Å; A30-K34 VanDerWaalsContact O-N 3.09Å; F31-K34 PolarHBondContact O-N 2.91Å; K34-T37 PolarHBondContact O-OG1 3.37Å; K34-K38 WeakPolarHBondContact O-CG 3.12Å; K34-K38 PolarHBondContact O-N 3.43Å; K34-Y187 HydrophobicContact CB-CE1 4.12Å; K34-Y187 HydrophobicContact CD-CE1 3.74Å; K34-Y187 VanDerWaalsContact CE-OH 3.28Å; K34-Y187 WeakPolarHBondContact CE-OH 3.26Å; K34-Y187 HydrophobicContact CG-CE1 3.71Å
35L96.7Very high96.9Very high0 Ų060.7 Ų60.70%029%0.286CS..Hα-helixtrans-74.4-50.3175.8-17977.8000112.1M33 T37 K38 L39 F54 L183 V184 Y187M33-L35 PolarHBondContact O-N 3.41Å; L35-T37 VanDerWaalsContact C-N 3.28Å; L35-T37 PolarHBondContact O-N 3.41Å; L35-K38 WeakPolarHBondContact O-CB 3.36Å; L35-K38 PolarHBondContact O-N 2.94Å; L35-L39 HydrophobicContact CD1-CD1 4.21Å; L35-L39 HydrophobicContact CD1-CD2 4.49Å; L35-L39 HydrophobicContact CD1-CG 4.12Å; L35-L39 HydrophobicContact CD2-CD1 4.01Å; L35-L39 HydrophobicContact CG-CD1 3.81Å; L35-L39 HydrophobicContact CG-CG 4.07Å; L35-L39 PolarHBondContact O-N 2.99Å; L35-F54 HydrophobicContact CB-CD1 4.1Å; L35-F54 HydrophobicContact CB-CE1 3.68Å; L35-F54 HydrophobicContact CB-CZ 4.06Å; L35-F54 HydrophobicContact CD2-CD1 4.39Å; L35-F54 HydrophobicContact CD2-CD2 4.11Å; L35-F54 HydrophobicContact CD2-CE1 3.71Å; L35-F54 HydrophobicContact CD2-CE2 3.38Å; L35-F54 HydrophobicContact CD2-CZ 3.15Å; L35-F54 HydrophobicContact CG-CE1 4.34Å; L35-F54 HydrophobicContact CG-CZ 4.23Å; L35-L183 HydrophobicContact CD1-CD2 3.8Å; L35-L183 HydrophobicContact CD1-CG 3.82Å; L35-V184 HydrophobicContact CD1-CG2 4.27Å; L35-V184 HydrophobicContact CD2-CB 4.05Å; L35-V184 HydrophobicContact CD2-CG1 3.97Å; L35-V184 HydrophobicContact CD2-CG2 3.73Å; L35-Y187 HydrophobicContact CB-CD1 4.4Å; L35-Y187 HydrophobicContact CB-CD2 4.4Å; L35-Y187 HydrophobicContact CB-CG 4.04Å; L35-Y187 HydrophobicContact CD1-CD2 3.94Å; L35-Y187 HydrophobicContact CD1-CG 4.37Å
36P96.6Very high96.7Very high28 Ų2861 Ų6118%0.18229%0.287CS..Hα-helixtrans-50-45.5175.9-31.134.8000113.9G32 M33 K38 L39 F40 I50 F54G32-P36 WeakPolarHBondContact O-CD 3.45Å; G32-P36 VanDerWaalsContact O-CG 3.26Å; G32-P36 WeakPolarHBondContact O-CG 3.43Å; M33-P36 WeakPolarHBondContact O-CD 3.12Å; P36-K38 VanDerWaalsContact C-N 3.32Å; P36-K38 PolarHBondContact O-N 3.47Å; P36-L39 PolarHBondContact O-N 3.43Å; P36-F40 WeakPolarHBondContact O-CB 3.48Å; P36-F40 PolarHBondContact O-N 2.93Å; P36-I50 HydrophobicContact CB-CD1 3.84Å; P36-I50 HydrophobicContact CG-CD1 4.32Å; P36-I50 HydrophobicContact CG-CG2 4.19Å; P36-F54 HydrophobicContact CG-CB 3.73Å; P36-F54 HydrophobicContact CG-CD1 4.39Å; P36-F54 HydrophobicContact CG-CG 4.16Å
37T96.7Very high96.4Very high86 Ų8661.7 Ų61.753%0.52829%0.289SS..Hα-helixtrans-64.2-34.6178.950.90000112.8M33 K34 L35M33-T37 WeakPolarHBondContact O-CB 3.5Å; M33-T37 VanDerWaalsContact O-CG2 3.23Å; M33-T37 WeakPolarHBondContact O-CG2 3.48Å; M33-T37 PolarHBondContact O-N 3.46Å; M33-T37 PolarHBondContact O-OG1 3.46Å; K34-T37 PolarHBondContact O-OG1 3.37Å; L35-T37 VanDerWaalsContact C-N 3.28Å; L35-T37 PolarHBondContact O-N 3.41Å
38K95.7Very high96.1Very high84 Ų8459.5 Ų59.537%0.36528%0.28SS..Hα-helixtrans-68.7-48172.2-75-174.1176.2-144.70111.9K34 L35 P36 F40 R41K34-K38 WeakPolarHBondContact O-CG 3.12Å; K34-K38 PolarHBondContact O-N 3.43Å; L35-K38 WeakPolarHBondContact O-CB 3.36Å; L35-K38 PolarHBondContact O-N 2.94Å; P36-K38 VanDerWaalsContact C-N 3.32Å; P36-K38 PolarHBondContact O-N 3.47Å; K38-F40 VanDerWaalsContact C-N 3.27Å; K38-F40 PolarHBondContact O-N 3.31Å; K38-R41 WeakPolarHBondContact O-CB 3.46Å; K38-R41 PolarHBondContact O-N 2.82Å
39L95.8Very high95.8Very high9 Ų964.7 Ų64.75%0.04731%0.312CS..Hα-helixtrans-66.9-28.8-178.5-66.2179.8000112.5L35 P36 R41 Y42 K43 L46 I50 F111 L180 V184L35-L39 HydrophobicContact CD1-CD1 4.21Å; L35-L39 HydrophobicContact CD1-CD2 4.49Å; L35-L39 HydrophobicContact CD1-CG 4.12Å; L35-L39 HydrophobicContact CD2-CD1 4.01Å; L35-L39 HydrophobicContact CG-CD1 3.81Å; L35-L39 HydrophobicContact CG-CG 4.07Å; L35-L39 PolarHBondContact O-N 2.99Å; P36-L39 PolarHBondContact O-N 3.43Å; L39-R41 PolarHBondContact O-N 3.19Å; L39-R41 VanDerWaalsContact O-N 3.12Å; L39-Y42 CarbonylContact O-C 3.6Å; L39-Y42 PolarHBondContact O-N 3.16Å; L39-K43 PolarHBondContact O-N 2.91Å; L39-L46 HydrophobicContact CD2-CD1 4.07Å; L39-I50 HydrophobicContact CD1-CG1 4.35Å; L39-F111 HydrophobicContact CD1-CE2 3.78Å; L39-F111 HydrophobicContact CD1-CZ 3.81Å; L39-F111 HydrophobicContact CD2-CZ 4.3Å; L39-L180 HydrophobicContact CD2-CD2 3.81Å; L39-V184 HydrophobicContact CD1-CG2 4.17Å
40F95.6Very high95.5Very high140 Ų14065.9 Ų65.961%0.61432%0.319SS*.G310 helixtrans-57.1-28177.1-171.3-99.2000113.2P36 K38 Y42 K43P36-F40 WeakPolarHBondContact O-CB 3.48Å; P36-F40 PolarHBondContact O-N 2.93Å; K38-F40 VanDerWaalsContact C-N 3.27Å; K38-F40 PolarHBondContact O-N 3.31Å; F40-Y42 PolarHBondContact O-N 3.05Å; F40-K43 HydrophobicContact CD2-CD 4.19Å; F40-K43 HydrophobicContact CE2-CD 3.9Å; F40-K43 WeakPolarHBondContact O-CB 3.5Å; F40-K43 PolarHBondContact O-N 3.41Å
41R95.3Very high95.4Very high171 Ų17163.6 Ų63.665%0.64530%0.299SS*.G310 helixtrans-66-18.7175.7-61.8-177.3177.6-171-2.7113.9K38 L39K38-R41 WeakPolarHBondContact O-CB 3.46Å; K38-R41 PolarHBondContact O-N 2.82Å; L39-R41 PolarHBondContact O-N 3.19Å; L39-R41 VanDerWaalsContact O-N 3.12Å
42Y96.3Very high95.3Very high6 Ų664.1 Ų64.12%0.02431%0.309CS..G310 helixtrans-117.120.2-178-46.7-67.7000111.4L39 F40 R44 I45 L46 E135 N138 L139 F143L39-Y42 CarbonylContact O-C 3.6Å; L39-Y42 PolarHBondContact O-N 3.16Å; F40-Y42 PolarHBondContact O-N 3.05Å; Y42-R44 PolarHBondContact O-N 3.36Å; Y42-I45 WeakPolarHBondContact O-CG1 3.22Å; Y42-I45 PolarHBondContact O-N 3.31Å; Y42-L46 WeakPolarHBondContact O-CB 3.4Å; Y42-L46 PolarHBondContact O-N 3.47Å; Y42-E135 VanDerWaalsContact CA-OE2 3.23Å; Y42-E135 WeakPolarHBondContact CA-OE2 3.48Å; Y42-N138 HydrophobicContact CE1-CB 4.3Å; Y42-N138 VanDerWaalsContact CE1-ND2 3.32Å; Y42-N138 WeakPolarHBondContact CE1-ND2 3.25Å; Y42-N138 PolarHBondContact OH-ND2 2.94Å; Y42-L139 HydrophobicContact CD1-CB 3.87Å; Y42-L139 HydrophobicContact CD1-CD1 3.88Å; Y42-L139 HydrophobicContact CD1-CG 4.43Å; Y42-L139 HydrophobicContact CD2-CD1 3.85Å; Y42-L139 HydrophobicContact CE1-CB 3.69Å; Y42-L139 HydrophobicContact CE1-CD1 3.84Å; Y42-L139 HydrophobicContact CE1-CG 4.4Å; Y42-L139 HydrophobicContact CE2-CD1 3.82Å; Y42-L139 HydrophobicContact CG-CD1 3.87Å; Y42-F143 AromaticContact CE2-CE2 3.77Å; Y42-F143 HydrophobicContact CE2-CE2 3.77Å; Y42-F143 AromaticContact CZ-CE2 3.96Å
43K96Very high95.2Very high133 Ų13364.1 Ų64.158%0.57831%0.309SS*.Hα-helixtrans-58.3-33.7-173.2179-179.3175.5-175.90112.2L39 F40 Q47L39-K43 PolarHBondContact O-N 2.91Å; F40-K43 HydrophobicContact CD2-CD 4.19Å; F40-K43 HydrophobicContact CE2-CD 3.9Å; F40-K43 WeakPolarHBondContact O-CB 3.5Å; F40-K43 PolarHBondContact O-N 3.41Å; K43-Q47 PolarHBondContact O-N 3.44Å
44R95.8Very high95.2Very high124 Ų12459.9 Ų59.947%0.46829%0.288SS..Hα-helixtrans-73.2-35.9-176-63.8-176.3-74.4-94.5-3.8112.1Y42 Y132 E135Y42-R44 PolarHBondContact O-N 3.36Å; R44-Y132 HydrophobicContact CB-CD1 4.36Å; R44-Y132 HydrophobicContact CB-CE1 4.08Å; R44-E135 WeakPolarHBondContact CB-OE1 3.42Å; R44-E135 WeakPolarHBondContact CB-OE2 3.39Å; R44-E135 WeakPolarHBondContact CG-OE1 3.5Å; R44-E135 IonicContact CZ-OE1 2.83Å; R44-E135 PolarHBondContact N-OE2 3.34Å; R44-E135 VanDerWaalsContact N-OE2 3.12Å; R44-E135 IonicContact NE-OE1 2.8Å; R44-E135 PolarHBondContact NE-OE1 3.44Å; R44-E135 IonicContact NH1-OE1 3.63Å; R44-E135 IonicContact NH2-OE1 2.86Å; R44-E135 PolarHBondContact NH2-OE1 3.09Å
45I96.9Very high95.2Very high0 Ų059 Ų590%029%0.292CS..Hα-helixtrans-90.4-29.1179.565.6175.3000113.6Y42 S118 L119 S122 Y132 E135 F136 L139Y42-I45 WeakPolarHBondContact O-CG1 3.22Å; Y42-I45 PolarHBondContact O-N 3.31Å; I45-S118 CarbonylContact O-C 3.45Å; I45-L119 HydrophobicContact CB-CD2 4.43Å; I45-L119 HydrophobicContact CD1-CD2 4.03Å; I45-L119 HydrophobicContact CG1-CD2 4.17Å; I45-S122 PolarHBondContact O-OG 3.02Å; I45-Y132 HydrophobicContact CG2-CD1 4.03Å; I45-Y132 HydrophobicContact CG2-CD2 4.48Å; I45-Y132 HydrophobicContact CG2-CG 3.94Å; I45-E135 HydrophobicContact CD1-CB 3.92Å; I45-E135 HydrophobicContact CG1-CB 4.21Å; I45-E135 HydrophobicContact CG2-CB 3.94Å; I45-E135 PolarHBondContact N-OE2 3.36Å; I45-E135 VanDerWaalsContact N-OE2 3.13Å; I45-F136 HydrophobicContact CB-CD2 4.4Å; I45-F136 HydrophobicContact CB-CE2 4.25Å; I45-F136 HydrophobicContact CD1-CD2 4.05Å; I45-F136 HydrophobicContact CD1-CE2 4.31Å; I45-F136 HydrophobicContact CD1-CG 4.16Å; I45-F136 HydrophobicContact CG2-CD2 3.97Å; I45-F136 HydrophobicContact CG2-CE2 4.21Å; I45-L139 HydrophobicContact CD1-CB 4.4Å; I45-L139 HydrophobicContact CD1-CD2 3.82Å
46L93.6Very high95.2Very high5 Ų561 Ų613%0.02631%0.305CS..Hα-helixtrans-82.6-37.2-177.6-74.8173.7000113.3L39 Y42 A48 A115 S118 L119 L180L39-L46 HydrophobicContact CD2-CD1 4.07Å; Y42-L46 WeakPolarHBondContact O-CB 3.4Å; Y42-L46 PolarHBondContact O-N 3.47Å; L46-A48 HydrophobicContact CB-CB 4.43Å; L46-A48 WeakPolarHBondContact O-CA 3.44Å; L46-A48 VanDerWaalsContact O-CB 3.32Å; L46-A48 WeakPolarHBondContact O-CB 3.46Å; L46-A48 PolarHBondContact O-N 3.32Å; L46-A115 HydrophobicContact CD2-CB 3.99Å; L46-S118 WeakPolarHBondContact O-CB 3.36Å; L46-S118 PolarHBondContact O-OG 3.09Å; L46-L119 HydrophobicContact CD2-CD1 3.86Å; L46-L119 HydrophobicContact CD2-CD2 3.92Å; L46-L119 HydrophobicContact CD2-CG 3.81Å; L46-L180 HydrophobicContact CD1-CD1 3.78Å; L46-L180 HydrophobicContact CD2-CD1 3.22Å; L46-L180 HydrophobicContact CG-CD1 4.06Å
47Q92.1Very high95.2Very high114 Ų11459.7 Ų59.753%0.53330%0.296SS..  trans40.521.6-174.6-57.9-171.5-4100115.1K43K43-Q47 PolarHBondContact O-N 3.44Å
48A90.1Very high95.3Very high21 Ų2156.9 Ų56.917%0.17428%0.279CS..PPolyproline II helixtrans-100.1140.2-167.400000111.4L46 I50 F111 E114 A115L46-A48 HydrophobicContact CB-CB 4.43Å; L46-A48 WeakPolarHBondContact O-CA 3.44Å; L46-A48 VanDerWaalsContact O-CB 3.32Å; L46-A48 WeakPolarHBondContact O-CB 3.46Å; L46-A48 PolarHBondContact O-N 3.32Å; A48-I50 PolarHBondContact O-N 3Å; A48-F111 HydrophobicContact CB-CD2 3.88Å; A48-F111 HydrophobicContact CB-CE2 3.85Å; A48-E114 HydrophobicContact CB-CB 4.05Å; A48-E114 HydrophobicContact CB-CG 3.94Å; A48-A115 HydrophobicContact CB-CB 3.98Å
49T90.8Very high95.4Very high111 Ų11158.8 Ų58.868%0.68129%0.287SS*.PPolyproline II helixtrans-74.4118175.5-55.60000109.8F111T49-F111 WeakPolarHBondContact O-CD2 3.3Å
50I92.9Very high95.4Very high55 Ų5558.3 Ų58.328%0.28229%0.285SS..PPolyproline II helixtrans-57.8140.8176.6-63166.6000109.6P36 L39 A48 F54P36-I50 HydrophobicContact CB-CD1 3.84Å; P36-I50 HydrophobicContact CG-CD1 4.32Å; P36-I50 HydrophobicContact CG-CG2 4.19Å; L39-I50 HydrophobicContact CD1-CG1 4.35Å; A48-I50 PolarHBondContact O-N 3Å; I50-F54 HydrophobicContact CG2-CB 3.95Å; I50-F54 HydrophobicContact CG2-CD2 3.68Å; I50-F54 HydrophobicContact CG2-CG 4.08Å
51P95.2Very high95.5Very high2 Ų251.7 Ų51.71%0.01326%0.255CS..PPolyproline II helixtrans-52.8137.7177.3-29.837.4000113.1I53 F54 P55 D109 F111 V184P51-I53 HydrophobicContact CB-CG2 4.14Å; P51-I53 PolarHBondContact O-N 3Å; P51-F54 HydrophobicContact CB-CD2 3.93Å; P51-F54 HydrophobicContact CB-CE2 3.95Å; P51-F54 HydrophobicContact CG-CD2 4.27Å; P51-F54 HydrophobicContact CG-CE2 4.01Å; P51-F54 WeakPolarHBondContact O-CD2 3.42Å; P51-F54 PolarHBondContact O-N 3.28Å; P51-P55 WeakPolarHBondContact O-CD 3.08Å; P51-D109 HydrophobicContact CB-CB 4.26Å; P51-D109 HydrophobicContact CG-CB 4.18Å; P51-F111 HydrophobicContact CG-CB 3.86Å; P51-F111 HydrophobicContact CG-CG 4.23Å; P51-V184 HydrophobicContact CG-CG1 3.71Å
52P95.2Very high95.7Very high73 Ų7346.2 Ų46.247%0.47424%0.244SC..THydrogen-bonded Turntrans-57.1-25.6-175.1-27.535000115.1F54 P55 T56P52-F54 PolarHBondContact O-N 3.16Å; P52-P55 WeakPolarHBondContact O-CD 3.38Å; P52-P55 VanDerWaalsContact O-CG 3.32Å; P52-P55 WeakPolarHBondContact O-CG 3.41Å; P52-T56 VanDerWaalsContact O-CB 3.32Å; P52-T56 WeakPolarHBondContact O-CB 3.4Å; P52-T56 PolarHBondContact O-N 3.36Å; P52-T56 PolarHBondContact O-OG1 3.48Å
53I96.7Very high95.7Very high0 Ų047.8 Ų47.80%025%0.252CS..Hα-helixtrans-55.3-36.5178.6-168.1170.7000113.4P51 A57 I100 S104 K188 L191 I192P51-I53 HydrophobicContact CB-CG2 4.14Å; P51-I53 PolarHBondContact O-N 3Å; I53-A57 WeakPolarHBondContact O-CB 3.44Å; I53-A57 PolarHBondContact O-N 2.83Å; I53-I100 HydrophobicContact CB-CD1 4.39Å; I53-I100 HydrophobicContact CB-CG1 4.05Å; I53-I100 HydrophobicContact CG1-CG1 3.86Å; I53-S104 WeakPolarHBondContact CB-OG 3.24Å; I53-S104 WeakPolarHBondContact CD1-OG 3.42Å; I53-K188 HydrophobicContact CD1-CG 4.45Å; I53-K188 HydrophobicContact CG2-CG 4.23Å; I53-L191 HydrophobicContact CD1-CB 4.08Å; I53-L191 HydrophobicContact CD1-CD2 4.17Å; I53-L191 HydrophobicContact CD1-CG 4.05Å; I53-L191 HydrophobicContact CG1-CD2 3.74Å; I53-L191 HydrophobicContact CG1-CG 4.03Å; I53-L191 HydrophobicContact CG2-CD2 4.37Å; I53-I192 HydrophobicContact CD1-CD1 4.47Å; I53-I192 HydrophobicContact CD1-CG1 3.54Å
54F97.6Very high95.7Very high1 Ų141.4 Ų41.40%0.00422%0.224CC..Hα-helixtrans-66.8-56.6-176.8-66.2-76.1000112.7G32 L35 P36 I50 P51 P52 T58 V184 K188 L191G32-F54 WeakPolarHBondContact O-CD1 3.38Å; L35-F54 HydrophobicContact CB-CD1 4.1Å; L35-F54 HydrophobicContact CB-CE1 3.68Å; L35-F54 HydrophobicContact CB-CZ 4.06Å; L35-F54 HydrophobicContact CD2-CD1 4.39Å; L35-F54 HydrophobicContact CD2-CD2 4.11Å; L35-F54 HydrophobicContact CD2-CE1 3.71Å; L35-F54 HydrophobicContact CD2-CE2 3.38Å; L35-F54 HydrophobicContact CD2-CZ 3.15Å; L35-F54 HydrophobicContact CG-CE1 4.34Å; L35-F54 HydrophobicContact CG-CZ 4.23Å; P36-F54 HydrophobicContact CG-CB 3.73Å; P36-F54 HydrophobicContact CG-CD1 4.39Å; P36-F54 HydrophobicContact CG-CG 4.16Å; I50-F54 HydrophobicContact CG2-CB 3.95Å; I50-F54 HydrophobicContact CG2-CD2 3.68Å; I50-F54 HydrophobicContact CG2-CG 4.08Å; P51-F54 HydrophobicContact CB-CD2 3.93Å; P51-F54 HydrophobicContact CB-CE2 3.95Å; P51-F54 HydrophobicContact CG-CD2 4.27Å; P51-F54 HydrophobicContact CG-CE2 4.01Å; P51-F54 WeakPolarHBondContact O-CD2 3.42Å; P51-F54 PolarHBondContact O-N 3.28Å; P52-F54 PolarHBondContact O-N 3.16Å; F54-T58 WeakPolarHBondContact O-CB 3.4Å; F54-T58 PolarHBondContact O-N 2.65Å; F54-T58 VanDerWaalsContact O-N 3.1Å; F54-T58 PolarHBondContact O-OG1 2.8Å; F54-V184 HydrophobicContact CE2-CG1 4.35Å; F54-K188 HydrophobicContact CZ-CB 4.28Å; F54-L191 HydrophobicContact CD1-CD2 3.93Å; F54-L191 HydrophobicContact CE1-CD2 4.12Å
55P97Very high95.8Very high75 Ų7537.6 Ų37.649%0.48721%0.213SC..Hα-helixtrans-64.6-39.1175.624.3-33.4000112.3P51 P52 T58 F59P51-P55 WeakPolarHBondContact O-CD 3.08Å; P52-P55 WeakPolarHBondContact O-CD 3.38Å; P52-P55 VanDerWaalsContact O-CG 3.32Å; P52-P55 WeakPolarHBondContact O-CG 3.41Å; P55-T58 PolarHBondContact O-N 2.84Å; P55-F59 WeakPolarHBondContact O-CB 3.48Å; P55-F59 PolarHBondContact O-N 3.25Å
56T97.1Very high95.8Very high44 Ų4442.3 Ų42.327%0.2724%0.238SC..Hα-helixtrans-65.2-42-179.8-59.50000112.4P52 F59 S60 I96 I100P52-T56 VanDerWaalsContact O-CB 3.32Å; P52-T56 WeakPolarHBondContact O-CB 3.4Å; P52-T56 PolarHBondContact O-N 3.36Å; P52-T56 PolarHBondContact O-OG1 3.48Å; T56-F59 PolarHBondContact O-N 3.41Å; T56-S60 PolarHBondContact O-N 3Å; T56-I96 HydrophobicContact CG2-CG2 3.73Å; T56-I100 HydrophobicContact CG2-CB 3.9Å; T56-I100 HydrophobicContact CG2-CD1 3.96Å; T56-I100 HydrophobicContact CG2-CG1 3.8Å; T56-I100 HydrophobicContact CG2-CG2 4.32Å
57A97.2Very high96Very high0 Ų042.1 Ų42.10%024%0.236CC..Hα-helixtrans-68.1-37.8176.100000112V28 I53 F59 S60 G61 L191V28-A57 HydrophobicContact CG1-CB 3.87Å; V28-A57 WeakPolarHBondContact CG1-O 3.07Å; I53-A57 WeakPolarHBondContact O-CB 3.44Å; I53-A57 PolarHBondContact O-N 2.83Å; A57-F59 VanDerWaalsContact C-N 3.3Å; A57-F59 PolarHBondContact O-N 3.01Å; A57-S60 PolarHBondContact O-N 3.17Å; A57-S60 PolarHBondContact O-OG 3.14Å; A57-S60 VanDerWaalsContact O-OG 3.09Å; A57-G61 PolarHBondContact O-N 3.16Å; A57-L191 HydrophobicContact CB-CD1 3.79Å; A57-L191 HydrophobicContact CB-CD2 3.72Å; A57-L191 HydrophobicContact CB-CG 3.91Å
58T98Very high96.1Very high27 Ų2736.7 Ų36.717%0.16621%0.211CC..Hα-helixtrans-61.2-42.5174.6-54.80000111I29 M33 F54 P55 S62I29-T58 HydrophobicContact CG2-CG2 4.4Å; M33-T58 HydrophobicContact CG-CG2 3.69Å; M33-T58 HydrophobicContact SD-CG2 4.08Å; F54-T58 WeakPolarHBondContact O-CB 3.4Å; F54-T58 PolarHBondContact O-N 2.65Å; F54-T58 VanDerWaalsContact O-N 3.1Å; F54-T58 PolarHBondContact O-OG1 2.8Å; P55-T58 PolarHBondContact O-N 2.84Å; T58-S62 PolarHBondContact O-N 2.93Å; T58-S62 PolarHBondContact O-OG 3.45Å
59F98Very high96.4Very high123 Ų12338.2 Ų38.254%0.53922%0.22SC..Hα-helixtrans-64.8-47.6174.1177.6-103.6000112.5P55 T56 A57 G61 S62 L63 I96P55-F59 WeakPolarHBondContact O-CB 3.48Å; P55-F59 PolarHBondContact O-N 3.25Å; T56-F59 PolarHBondContact O-N 3.41Å; A57-F59 VanDerWaalsContact C-N 3.3Å; A57-F59 PolarHBondContact O-N 3.01Å; F59-G61 PolarHBondContact O-N 2.92Å; F59-S62 WeakPolarHBondContact O-CB 3.46Å; F59-S62 PolarHBondContact O-N 3.31Å; F59-L63 HydrophobicContact CE1-CD2 4.37Å; F59-L63 PolarHBondContact O-N 3.23Å; F59-I96 HydrophobicContact CE1-CD1 4.37Å
60S96.7Very high96.5Very high0 Ų034.5 Ų34.50%020%0.196CC..Hα-helixtrans-63.8-40.8-178.774.30000112.2T56 A57 S62 L63 S64T56-S60 PolarHBondContact O-N 3Å; A57-S60 PolarHBondContact O-N 3.17Å; A57-S60 PolarHBondContact O-OG 3.14Å; A57-S60 VanDerWaalsContact O-OG 3.09Å; S60-S62 VanDerWaalsContact C-N 3.32Å; S60-S62 PolarHBondContact O-N 3.32Å; S60-L63 PolarHBondContact O-N 3.27Å; S60-S64 WeakPolarHBondContact O-CB 3.47Å; S60-S64 PolarHBondContact O-N 3.39Å
61G97.7Very high96.4Very high0 Ų031.9 Ų31.90%018%0.182CC..Hα-helixtrans-62.3-39174.900000112.3A57 F59 S64 I65A57-G61 PolarHBondContact O-N 3.16Å; F59-G61 PolarHBondContact O-N 2.92Å; G61-S64 WeakPolarHBondContact O-CB 3.39Å; G61-S64 PolarHBondContact O-N 2.94Å; G61-I65 WeakPolarHBondContact O-CG1 3.47Å; G61-I65 PolarHBondContact O-N 3.34Å; G61-I65 VanDerWaalsContact O-N 3.12Å
62S98.1Very high96.3Very high57 Ų5734.3 Ų34.340%0.39920%0.195SC..Hα-helixtrans-66.9-42.3176.8-56.30000111.5T58 F59 S60 S64 I65 L66T58-S62 PolarHBondContact O-N 2.93Å; T58-S62 PolarHBondContact O-OG 3.45Å; F59-S62 WeakPolarHBondContact O-CB 3.46Å; F59-S62 PolarHBondContact O-N 3.31Å; S60-S62 VanDerWaalsContact C-N 3.32Å; S60-S62 PolarHBondContact O-N 3.32Å; S62-S64 VanDerWaalsContact C-N 3.33Å; S62-I65 PolarHBondContact O-N 3.48Å; S62-L66 PolarHBondContact O-N 2.91Å; S62-L66 VanDerWaalsContact O-N 3.1Å
63L97.2Very high96Very high38 Ų3835.1 Ų35.120%0.19920%0.195CC..Hα-helixtrans-65.5-36.3175.8-174.261000111.9F59 S60 L66 A67 I92 V93 I96F59-L63 HydrophobicContact CE1-CD2 4.37Å; F59-L63 PolarHBondContact O-N 3.23Å; S60-L63 PolarHBondContact O-N 3.27Å; L63-L66 PolarHBondContact O-N 3.27Å; L63-A67 WeakPolarHBondContact O-CB 3.16Å; L63-A67 PolarHBondContact O-N 3.14Å; L63-I92 HydrophobicContact CD2-CG2 4.44Å; L63-V93 HydrophobicContact CB-CG2 3.93Å; L63-V93 HydrophobicContact CD2-CG2 3.68Å; L63-V93 HydrophobicContact CG-CG2 3.57Å; L63-I96 HydrophobicContact CD2-CD1 4.41Å
64S96.2Very high95.5Very high0 Ų035.1 Ų35.10%020%0.195CC..Hα-helixtrans-62-45174.6-174.90000112.1S60 G61 S62 L66 A67 T68 F198S60-S64 WeakPolarHBondContact O-CB 3.47Å; S60-S64 PolarHBondContact O-N 3.39Å; G61-S64 WeakPolarHBondContact O-CB 3.39Å; G61-S64 PolarHBondContact O-N 2.94Å; S62-S64 VanDerWaalsContact C-N 3.33Å; S64-L66 VanDerWaalsContact C-N 3.33Å; S64-L66 PolarHBondContact O-N 2.94Å; S64-A67 PolarHBondContact O-N 3.47Å; S64-T68 VanDerWaalsContact O-CG2 3.28Å; S64-T68 WeakPolarHBondContact O-CG2 3.43Å; S64-T68 PolarHBondContact O-N 3.2Å; S64-T68 PolarHBondContact O-OG1 3.14Å; S64-F198 WeakPolarHBondContact OG-CZ 3.47Å
65I98Very high95Very high43 Ų4337.2 Ų37.222%0.22121%0.205CC..Hα-helixtrans-61.3-43.3175.2-65.5169.5000110.5I26 I29 G61 S62 T68 C69I26-I65 HydrophobicContact CG1-CD1 3.8Å; I29-I65 HydrophobicContact CD1-CD1 3.59Å; G61-I65 WeakPolarHBondContact O-CG1 3.47Å; G61-I65 PolarHBondContact O-N 3.34Å; G61-I65 VanDerWaalsContact O-N 3.12Å; S62-I65 PolarHBondContact O-N 3.48Å; I65-T68 WeakPolarHBondContact CA-OG1 3.32Å; I65-T68 PolarHBondContact O-N 3.22Å; I65-T68 PolarHBondContact O-OG1 2.99Å; I65-C69 WeakPolarHBondContact O-CB 3.31Å; I65-C69 PolarHBondContact O-N 2.84Å; I65-C69 PolarHBondContact O-SG 2.79Å
66L97Very high94.4Very high100 Ų10039.6 Ų39.652%0.52421%0.213SC..Hα-helixtrans-63.2-46.7176.7-178.461.9000111.8S62 L63 S64 T68 C69 I70S62-L66 PolarHBondContact O-N 2.91Å; S62-L66 VanDerWaalsContact O-N 3.1Å; L63-L66 PolarHBondContact O-N 3.27Å; S64-L66 VanDerWaalsContact C-N 3.33Å; S64-L66 PolarHBondContact O-N 2.94Å; L66-T68 VanDerWaalsContact C-N 3.3Å; L66-T68 PolarHBondContact O-N 3.46Å; L66-C69 PolarHBondContact O-N 2.82Å; L66-I70 HydrophobicContact CD1-CD1 4.43Å; L66-I70 HydrophobicContact CG-CD1 4.11Å; L66-I70 VanDerWaalsContact O-CG1 3.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.38Å; L66-I70 PolarHBondContact O-N 3.11Å
67A96.3Very high93.8Very high0 Ų041.5 Ų41.50%022%0.222CC..Hα-helixtrans-59.6-40.2179.900000112L63 S64 I70 G71 H86 T89 L90L63-A67 WeakPolarHBondContact O-CB 3.16Å; L63-A67 PolarHBondContact O-N 3.14Å; S64-A67 PolarHBondContact O-N 3.47Å; A67-I70 WeakPolarHBondContact O-CB 3.46Å; A67-I70 PolarHBondContact O-N 3.37Å; A67-G71 PolarHBondContact O-N 2.94Å; A67-H86 PolarHBondContact O-ND1 3.46Å; A67-T89 VanDerWaalsContact CB-OG1 3.29Å; A67-T89 WeakPolarHBondContact CB-OG1 3.29Å; A67-L90 HydrophobicContact CB-CD2 3.85Å; A67-L90 HydrophobicContact CB-CG 4.04Å
68T96Very high93Very high0 Ų048 Ų480%025%0.252CS..Hα-helixtrans-73.4-38.1179.250.30000112.4N18 F21 I22 S64 I65 L66 I70 G71 I72 L90N18-T68 WeakPolarHBondContact OD1-CA 3.47Å; F21-T68 HydrophobicContact CB-CG2 3.43Å; F21-T68 VanDerWaalsContact CB-CG2 3.43Å; F21-T68 HydrophobicContact CD2-CG2 4.04Å; F21-T68 HydrophobicContact CG-CG2 4.26Å; I22-T68 WeakPolarHBondContact CG1-OG1 3.28Å; S64-T68 VanDerWaalsContact O-CG2 3.28Å; S64-T68 WeakPolarHBondContact O-CG2 3.43Å; S64-T68 PolarHBondContact O-N 3.2Å; S64-T68 PolarHBondContact O-OG1 3.14Å; I65-T68 WeakPolarHBondContact CA-OG1 3.32Å; I65-T68 PolarHBondContact O-N 3.22Å; I65-T68 PolarHBondContact O-OG1 2.99Å; L66-T68 VanDerWaalsContact C-N 3.3Å; L66-T68 PolarHBondContact O-N 3.46Å; T68-I70 VanDerWaalsContact C-N 3.32Å; T68-I70 PolarHBondContact O-N 3.27Å; T68-G71 WeakPolarHBondContact O-CA 3.33Å; T68-G71 PolarHBondContact O-N 3.34Å; T68-I72 WeakPolarHBondContact O-CG1 3.28Å; T68-I72 PolarHBondContact O-N 3.32Å; T68-L90 HydrophobicContact CG2-CD2 4.4Å
69C94.8Very high92.1Very high54 Ų5455.1 Ų55.137%0.36528%0.276SS..Hα-helixtrans-57.9-44.7169.1-73.30000111.6I65 L66 G71 I72 L73I65-C69 WeakPolarHBondContact O-CB 3.31Å; I65-C69 PolarHBondContact O-N 2.84Å; I65-C69 PolarHBondContact O-SG 2.79Å; L66-C69 PolarHBondContact O-N 2.82Å; C69-G71 VanDerWaalsContact C-N 3.27Å; C69-G71 PolarHBondContact O-N 3.15Å; C69-I72 PolarHBondContact O-N 3.07Å; C69-L73 WeakPolarHBondContact O-CG 3.32Å; C69-L73 PolarHBondContact O-N 3.04Å
70I93.6Very high91.3Very high32 Ų3250.5 Ų50.516%0.16426%0.257CS..Hα-helixtrans-59.3-40.4173.4-66.6166.1000110.6L66 A67 T68 L73 G74 I82 L85 H86L66-I70 HydrophobicContact CD1-CD1 4.43Å; L66-I70 HydrophobicContact CG-CD1 4.11Å; L66-I70 VanDerWaalsContact O-CG1 3.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.38Å; L66-I70 PolarHBondContact O-N 3.11Å; A67-I70 WeakPolarHBondContact O-CB 3.46Å; A67-I70 PolarHBondContact O-N 3.37Å; T68-I70 VanDerWaalsContact C-N 3.32Å; T68-I70 PolarHBondContact O-N 3.27Å; I70-L73 PolarHBondContact O-N 3.43Å; I70-G74 PolarHBondContact O-N 2.91Å; I70-I82 HydrophobicContact CG2-CG2 3.72Å; I70-I82 VanDerWaalsContact O-CG2 3.31Å; I70-I82 WeakPolarHBondContact O-CG2 3.41Å; I70-L85 HydrophobicContact CD1-CD2 4.3Å; I70-L85 HydrophobicContact CG2-CB 4.39Å; I70-L85 HydrophobicContact CG2-CD2 4.02Å; I70-L85 HydrophobicContact CG2-CG 4.15Å; I70-H86 HydrophobicContact CG2-CB 4.27Å
71G91.7Very high90.9Very high0 Ų057.8 Ų57.80%029%0.293CS..Hα-helixtrans-60.3-46.2176.100000113.2A67 T68 C69 G74 I75 H86A67-G71 PolarHBondContact O-N 2.94Å; T68-G71 WeakPolarHBondContact O-CA 3.33Å; T68-G71 PolarHBondContact O-N 3.34Å; C69-G71 VanDerWaalsContact C-N 3.27Å; C69-G71 PolarHBondContact O-N 3.15Å; G71-G74 WeakPolarHBondContact O-CA 3.38Å; G71-G74 PolarHBondContact O-N 3.32Å; G71-G74 VanDerWaalsContact O-N 3.14Å; G71-I75 PolarHBondContact O-N 3.39Å; G71-H86 VanDerWaalsContact CA-CG 3.49Å; G71-H86 WeakPolarHBondContact CA-ND1 2.94Å
72I91.5Very high90.5Very high54 Ų5459.9 Ų59.928%0.27730%0.303SS..Hα-helixtrans-63.5-44.6176.8-64.2167.2000110.6N18 I22 T68 C69 G74 I75 L76N18-I72 HydrophobicContact CB-CG1 4.3Å; I22-I72 HydrophobicContact CD1-CD1 4.05Å; T68-I72 WeakPolarHBondContact O-CG1 3.28Å; T68-I72 PolarHBondContact O-N 3.32Å; C69-I72 PolarHBondContact O-N 3.07Å; I72-G74 PolarHBondContact O-N 3Å; I72-I75 PolarHBondContact O-N 2.81Å; I72-I75 VanDerWaalsContact O-N 3.14Å; I72-L76 PolarHBondContact O-N 2.86Å
73L90.3Very high90Very high90 Ų9058.7 Ų58.747%0.47129%0.292SS..Hα-helixtrans-61.5-32.7173.7-68.4172.7000112.2C69 I70 I75 L76 N77C69-L73 WeakPolarHBondContact O-CG 3.32Å; C69-L73 PolarHBondContact O-N 3.04Å; I70-L73 PolarHBondContact O-N 3.43Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 PolarHBondContact O-N 3.17Å; L73-L76 PolarHBondContact O-N 3.49Å; L73-N77 VanDerWaalsContact O-CB 3.32Å; L73-N77 WeakPolarHBondContact O-CB 3.48Å; L73-N77 PolarHBondContact O-N 3.45Å; L73-N77 PolarHBondContact O-ND2 3.18Å
74G86.4Confident89.6Confident0 Ų060.8 Ų60.80%030%0.298CS..Hα-helixtrans-61.4-37.6174.800000112.6I70 G71 I72 E78 I82 M83I70-G74 PolarHBondContact O-N 2.91Å; G71-G74 WeakPolarHBondContact O-CA 3.38Å; G71-G74 PolarHBondContact O-N 3.32Å; G71-G74 VanDerWaalsContact O-N 3.14Å; I72-G74 PolarHBondContact O-N 3Å; G74-E78 PolarHBondContact O-N 2.93Å; G74-I82 VanDerWaalsContact CA-CG2 3.46Å; G74-M83 WeakPolarHBondContact O-CE 3.48Å
75I85.2Confident89.5Confident45 Ų4565 Ų6523%0.23132%0.32CS..Hα-helixtrans-66.2-51173.9-61.2175.4000109.6T11 F14 V15 G71 I72 L73 N77 E78 M83T11-I75 HydrophobicContact CG2-CD1 4.21Å; T11-I75 HydrophobicContact CG2-CG2 4.2Å; F14-I75 HydrophobicContact CD1-CD1 3.21Å; F14-I75 HydrophobicContact CD1-CG1 3.97Å; F14-I75 HydrophobicContact CE1-CD1 3.47Å; F14-I75 VanDerWaalsContact CE1-CD1 3.47Å; F14-I75 HydrophobicContact CE1-CG1 3.8Å; F14-I75 HydrophobicContact CG-CD1 4.21Å; V15-I75 HydrophobicContact CG2-CD1 3.53Å; G71-I75 PolarHBondContact O-N 3.39Å; I72-I75 PolarHBondContact O-N 2.81Å; I72-I75 VanDerWaalsContact O-N 3.14Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 PolarHBondContact O-N 3.17Å; I75-N77 VanDerWaalsContact C-N 3.33Å; I75-N77 PolarHBondContact O-N 3.44Å; I75-E78 PolarHBondContact O-N 2.98Å; I75-M83 HydrophobicContact CB-CE 4.18Å; I75-M83 HydrophobicContact CG1-CE 3.53Å; I75-M83 VanDerWaalsContact N-CE 3.26Å
76L84.5Confident89.3Confident125 Ų12563 Ų6365%0.65431%0.31SS*.Hα-helixtrans-63.9-37.6-173.9-64.5175.3000112.9I72 L73I72-L76 PolarHBondContact O-N 2.86Å; L73-L76 PolarHBondContact O-N 3.49Å
77N84.5Confident89.1Confident84 Ų8458.7 Ų58.745%0.44929%0.287SS..Hα-helixtrans-86.6-8.8-177.7-68.7-34000113.3L73 I75 R79 I82L73-N77 VanDerWaalsContact O-CB 3.32Å; L73-N77 WeakPolarHBondContact O-CB 3.48Å; L73-N77 PolarHBondContact O-N 3.45Å; L73-N77 PolarHBondContact O-ND2 3.18Å; I75-N77 VanDerWaalsContact C-N 3.33Å; I75-N77 PolarHBondContact O-N 3.44Å; N77-R79 HydrophobicContact CB-CG 4.04Å; N77-R79 WeakPolarHBondContact O-CG 3.16Å; N77-R79 PolarHBondContact O-N 3.35Å; N77-I82 HydrophobicContact CB-CD1 3.9Å
78E80.6Confident89Confident137 Ų13762.2 Ų62.264%0.6431%0.311SS*.THydrogen-bonded Turntrans51.524.8-175.7-56.8-174.4-178.900114.1G74 I75G74-E78 PolarHBondContact O-N 2.93Å; I75-E78 PolarHBondContact O-N 2.98Å
79R79.5Confident89Confident175 Ų17563.3 Ų63.366%0.6632%0.318SS*.  trans-97.3115.6-178.6-59.6-56.1-176.5159.61.5110.8N77 M81 I82 M83N77-R79 HydrophobicContact CB-CG 4.04Å; N77-R79 WeakPolarHBondContact O-CG 3.16Å; N77-R79 PolarHBondContact O-N 3.35Å; R79-M81 PolarHBondContact O-N 2.99Å; R79-I82 HydrophobicContact CB-CB 4.46Å; R79-I82 HydrophobicContact CB-CD1 3.88Å; R79-I82 HydrophobicContact CB-CG1 3.92Å; R79-I82 HydrophobicContact CG-CD1 4.18Å; R79-I82 PolarHBondContact O-N 3.48Å; R79-M83 PolarHBondContact O-N 3.25Å
80N81.5Confident89Confident26 Ų2660.8 Ų60.814%0.13930%0.301CS..Hα-helixtrans-55.5-36.2175.6-67.82.9000113.8M1 I82 M83 Y84M1-N80 PolarHBondContact O-ND2 2.94Å; M1-N80 PolarHBondContact O-OD1 2.99Å; N80-I82 PolarHBondContact O-N 3.26Å; N80-M83 WeakPolarHBondContact O-CB 3.34Å; N80-M83 PolarHBondContact O-N 3.3Å; N80-M83 VanDerWaalsContact O-N 3.11Å; N80-Y84 HydrophobicContact CB-CD2 4.31Å; N80-Y84 HydrophobicContact CB-CE2 3.96Å; N80-Y84 WeakPolarHBondContact O-CD2 3.1Å; N80-Y84 PolarHBondContact O-N 2.72Å
81M88.3Confident89.1Confident154 Ų15461 Ų6176%0.75930%0.304SS*.Hα-helixtrans-59.8-37.3179.9-69.1-59.5-128.900111.9R79 Y84 L85R79-M81 PolarHBondContact O-N 2.99Å; M81-Y84 PolarHBondContact O-N 3.44Å; M81-L85 PolarHBondContact O-N 2.89Å
82I89.1Confident89.4Confident43 Ų4365.5 Ų65.522%0.22133%0.327CS..Hα-helixtrans-69.9-37.7177.5-56.7178.5000110.2I70 G74 N77 R79 N80 L85 H86I70-I82 HydrophobicContact CG2-CG2 3.72Å; I70-I82 VanDerWaalsContact O-CG2 3.31Å; I70-I82 WeakPolarHBondContact O-CG2 3.41Å; G74-I82 VanDerWaalsContact CA-CG2 3.46Å; N77-I82 HydrophobicContact CB-CD1 3.9Å; R79-I82 HydrophobicContact CB-CB 4.46Å; R79-I82 HydrophobicContact CB-CD1 3.88Å; R79-I82 HydrophobicContact CB-CG1 3.92Å; R79-I82 HydrophobicContact CG-CD1 4.18Å; R79-I82 PolarHBondContact O-N 3.48Å; N80-I82 PolarHBondContact O-N 3.26Å; I82-L85 WeakPolarHBondContact O-CB 3.39Å; I82-L85 PolarHBondContact O-N 3.03Å; I82-H86 PolarHBondContact O-N 3.44Å
83M87.4Confident89.7Confident33 Ų3362.9 Ų62.916%0.16331%0.313CS..Hα-helixtrans-64-42.6174-67.5-59.8-163.800112.8F14 G74 I75 R79 N80 L85 H86 L87F14-M83 HydrophobicContact CE2-SD 4.43Å; F14-M83 HydrophobicContact CZ-CE 4.42Å; F14-M83 HydrophobicContact CZ-SD 4.01Å; G74-M83 WeakPolarHBondContact O-CE 3.48Å; I75-M83 HydrophobicContact CB-CE 4.18Å; I75-M83 HydrophobicContact CG1-CE 3.53Å; I75-M83 VanDerWaalsContact N-CE 3.26Å; R79-M83 PolarHBondContact O-N 3.25Å; N80-M83 WeakPolarHBondContact O-CB 3.34Å; N80-M83 PolarHBondContact O-N 3.3Å; N80-M83 VanDerWaalsContact O-N 3.11Å; M83-L85 VanDerWaalsContact C-N 3.33Å; M83-H86 WeakPolarHBondContact O-CB 3.22Å; M83-H86 PolarHBondContact O-N 3.32Å; M83-L87 WeakPolarHBondContact O-CG 3.39Å; M83-L87 PolarHBondContact O-N 2.63Å
84Y90Very high90Very high81 Ų8160.5 Ų60.532%0.31830%0.3SS..Hα-helixtrans-64.2-40.4175-68.7-58.5000111.3N80 M81 H86 L87 C88 I213N80-Y84 HydrophobicContact CB-CD2 4.31Å; N80-Y84 HydrophobicContact CB-CE2 3.96Å; N80-Y84 WeakPolarHBondContact O-CD2 3.1Å; N80-Y84 PolarHBondContact O-N 2.72Å; M81-Y84 PolarHBondContact O-N 3.44Å; Y84-H86 VanDerWaalsContact C-N 3.33Å; Y84-H86 PolarHBondContact O-N 2.94Å; Y84-L87 PolarHBondContact O-N 3.07Å; Y84-C88 WeakPolarHBondContact O-CB 3.15Å; Y84-C88 PolarHBondContact O-N 3.29Å; Y84-C88 PolarHBondContact O-SG 3.03Å; Y84-I213 HydrophobicContact CE1-CD1 4.49Å
85L92.6Very high90.5Very high89 Ų8965.5 Ų65.547%0.46633%0.326SS..Hα-helixtrans-59.6-43.5174.4-179.262.7000111.8I70 M81 I82 M83 C88 T89I70-L85 HydrophobicContact CD1-CD2 4.3Å; I70-L85 HydrophobicContact CG2-CB 4.39Å; I70-L85 HydrophobicContact CG2-CD2 4.02Å; I70-L85 HydrophobicContact CG2-CG 4.15Å; M81-L85 PolarHBondContact O-N 2.89Å; I82-L85 WeakPolarHBondContact O-CB 3.39Å; I82-L85 PolarHBondContact O-N 3.03Å; M83-L85 VanDerWaalsContact C-N 3.33Å; L85-C88 PolarHBondContact O-N 3.44Å; L85-T89 HydrophobicContact CD1-CG2 4.09Å; L85-T89 WeakPolarHBondContact O-CB 3.47Å; L85-T89 WeakPolarHBondContact O-CG2 3.45Å; L85-T89 PolarHBondContact O-N 2.98Å; L85-T89 PolarHBondContact O-OG1 3.27Å
86H93.4Very high91.1Very high0 Ų065.3 Ų65.30%033%0.325CS..Hα-helixtrans-57.2-49.9173.6164.873000112.3F14 N18 A67 I70 G71 I82 M83 Y84 T89 L90 Y205F14-H86 AromaticContact CE2-NE2 3.87Å; F14-H86 AromaticContact CZ-CD2 3.83Å; F14-H86 AromaticContact CZ-NE2 3.72Å; N18-H86 PolarHBondContact OD1-CE1 3.26Å; A67-H86 PolarHBondContact O-ND1 3.46Å; I70-H86 HydrophobicContact CG2-CB 4.27Å; G71-H86 VanDerWaalsContact CA-CG 3.49Å; G71-H86 WeakPolarHBondContact CA-ND1 2.94Å; I82-H86 PolarHBondContact O-N 3.44Å; M83-H86 WeakPolarHBondContact O-CB 3.22Å; M83-H86 PolarHBondContact O-N 3.32Å; Y84-H86 VanDerWaalsContact C-N 3.33Å; Y84-H86 PolarHBondContact O-N 2.94Å; H86-T89 PolarHBondContact O-N 3.41Å; H86-T89 PolarHBondContact O-OG1 3.49Å; H86-L90 WeakPolarHBondContact CE1-CD1 3.45Å; H86-L90 WeakPolarHBondContact NE2-CD1 3.31Å; H86-L90 PolarHBondContact O-N 2.88Å; H86-Y205 AromaticContact NE2-CE1 3.67Å; H86-Y205 AromaticContact NE2-CZ 3.67Å; H86-Y205 PolarHBondContact NE2-OH 3.11Å
87L93.3Very high91.6Very high10 Ų1059.4 Ų59.45%0.05229%0.294CS..Hα-helixtrans-65.5-41.6-180-65.9174.8000112.5M83 Y84 T91 Y205 L206 I213M83-L87 WeakPolarHBondContact O-CG 3.39Å; M83-L87 PolarHBondContact O-N 2.63Å; Y84-L87 PolarHBondContact O-N 3.07Å; L87-T91 WeakPolarHBondContact O-CB 3.32Å; L87-T91 PolarHBondContact O-N 3.48Å; L87-T91 PolarHBondContact O-OG1 3.16Å; L87-Y205 HydrophobicContact CD2-CE1 4.35Å; L87-L206 HydrophobicContact CB-CD2 4.44Å; L87-L206 HydrophobicContact CD2-CD2 3.82Å; L87-I213 HydrophobicContact CD1-CD1 3.49Å; L87-I213 VanDerWaalsContact CD1-CD1 3.49Å
88C95.2Very high92.1Very high75 Ų7558.4 Ų58.451%0.50729%0.288SS..Hα-helixtrans-62.7-46.5176.9-70.90000111.5Y84 L85 T91 I92Y84-C88 WeakPolarHBondContact O-CB 3.15Å; Y84-C88 PolarHBondContact O-N 3.29Å; Y84-C88 PolarHBondContact O-SG 3.03Å; L85-C88 PolarHBondContact O-N 3.44Å; C88-T91 WeakPolarHBondContact O-CB 3.43Å; C88-T91 PolarHBondContact O-N 2.94Å; C88-I92 WeakPolarHBondContact O-CG1 3.12Å; C88-I92 PolarHBondContact O-N 3.32Å; C88-I92 VanDerWaalsContact O-N 3.07Å
89T95.4Very high92.8Very high23 Ų2353.7 Ų53.714%0.14128%0.276CS..Hα-helixtrans-66-41.6179.749.50000112.2A67 L85 H86 T91 I92 V93A67-T89 VanDerWaalsContact CB-OG1 3.29Å; A67-T89 WeakPolarHBondContact CB-OG1 3.29Å; L85-T89 HydrophobicContact CD1-CG2 4.09Å; L85-T89 WeakPolarHBondContact O-CB 3.47Å; L85-T89 WeakPolarHBondContact O-CG2 3.45Å; L85-T89 PolarHBondContact O-N 2.98Å; L85-T89 PolarHBondContact O-OG1 3.27Å; H86-T89 PolarHBondContact O-N 3.41Å; H86-T89 PolarHBondContact O-OG1 3.49Å; T89-T91 VanDerWaalsContact C-N 3.33Å; T89-T91 PolarHBondContact O-N 3.4Å; T89-I92 PolarHBondContact O-N 3.03Å; T89-V93 WeakPolarHBondContact O-CG2 3.43Å; T89-V93 PolarHBondContact O-N 2.82Å
90L95.5Very high93.6Very high0 Ų046.1 Ų46.10%025%0.248CC..Hα-helixtrans-64.1-35.6172.7-80-173.5000113.2F21 A67 T68 H86 I92 V93 M94 Y205 L206F21-L90 HydrophobicContact CD2-CD1 4.11Å; F21-L90 HydrophobicContact CE2-CD1 4.07Å; A67-L90 HydrophobicContact CB-CD2 3.85Å; A67-L90 HydrophobicContact CB-CG 4.04Å; T68-L90 HydrophobicContact CG2-CD2 4.4Å; H86-L90 WeakPolarHBondContact CE1-CD1 3.45Å; H86-L90 WeakPolarHBondContact NE2-CD1 3.31Å; H86-L90 PolarHBondContact O-N 2.88Å; L90-I92 VanDerWaalsContact C-N 3.31Å; L90-I92 PolarHBondContact O-N 3.29Å; L90-V93 PolarHBondContact O-N 3.23Å; L90-M94 WeakPolarHBondContact O-CB 3.35Å; L90-M94 PolarHBondContact O-N 3.38Å; L90-Y205 HydrophobicContact CD1-CD1 4.11Å; L90-Y205 HydrophobicContact CD1-CE1 3.64Å; L90-L206 HydrophobicContact CB-CD2 4.13Å
91T96.1Very high94.2Very high38 Ų3844.9 Ų44.923%0.23324%0.242CC..Hα-helixtrans-62.4-41.9175-57.80000110.8L87 C88 T89 M94 I95L87-T91 WeakPolarHBondContact O-CB 3.32Å; L87-T91 PolarHBondContact O-N 3.48Å; L87-T91 PolarHBondContact O-OG1 3.16Å; C88-T91 WeakPolarHBondContact O-CB 3.43Å; C88-T91 PolarHBondContact O-N 2.94Å; T89-T91 VanDerWaalsContact C-N 3.33Å; T89-T91 PolarHBondContact O-N 3.4Å; T91-M94 PolarHBondContact O-N 2.83Å; T91-I95 HydrophobicContact CG2-CD1 4.17Å; T91-I95 VanDerWaalsContact O-CG1 3.32Å; T91-I95 WeakPolarHBondContact O-CG1 3.33Å; T91-I95 PolarHBondContact O-N 2.98Å; T91-I95 VanDerWaalsContact O-N 3.09Å
92I97.1Very high94.5Very high93 Ų9339.5 Ų39.548%0.47722%0.22SC..Hα-helixtrans-63.4-45.4175.4-66.6165.2000110.8L63 C88 T89 L90 M94 I95 I96L63-I92 HydrophobicContact CD2-CG2 4.44Å; C88-I92 WeakPolarHBondContact O-CG1 3.12Å; C88-I92 PolarHBondContact O-N 3.32Å; C88-I92 VanDerWaalsContact O-N 3.07Å; T89-I92 PolarHBondContact O-N 3.03Å; L90-I92 VanDerWaalsContact C-N 3.31Å; L90-I92 PolarHBondContact O-N 3.29Å; I92-M94 VanDerWaalsContact C-N 3.34Å; I92-M94 PolarHBondContact O-N 3.3Å; I92-I95 PolarHBondContact O-N 3.07Å; I92-I96 HydrophobicContact CG2-CD1 3.88Å; I92-I96 HydrophobicContact CG2-CG1 4.49Å; I92-I96 WeakPolarHBondContact O-CG1 3.34Å; I92-I96 PolarHBondContact O-N 3.45Å
93V97.1Very high94.8Very high0 Ų039.4 Ų39.40%022%0.223CC..Hα-helixtrans-57.3-47176.6170.40000111.1L63 T89 L90 I95 I96 E97L63-V93 HydrophobicContact CB-CG2 3.93Å; L63-V93 HydrophobicContact CD2-CG2 3.68Å; L63-V93 HydrophobicContact CG-CG2 3.57Å; T89-V93 WeakPolarHBondContact O-CG2 3.43Å; T89-V93 PolarHBondContact O-N 2.82Å; L90-V93 PolarHBondContact O-N 3.23Å; V93-I95 VanDerWaalsContact C-N 3.33Å; V93-I95 PolarHBondContact O-N 3.37Å; V93-I96 PolarHBondContact O-N 3.1Å; V93-I96 VanDerWaalsContact O-N 3.16Å; V93-E97 HydrophobicContact CG1-CG 4.34Å; V93-E97 VanDerWaalsContact CG1-OE1 3.32Å; V93-E97 WeakPolarHBondContact CG1-OE1 3.4Å; V93-E97 WeakPolarHBondContact O-CG 3.36Å; V93-E97 PolarHBondContact O-N 2.95Å
94M96.2Very high95.1Very high39 Ų3938.1 Ų38.119%0.19222%0.217CC..Hα-helixtrans-58.2-44.4178.1-178-165.373.200112L90 T91 I92 I96 E97 I98 H202 G203 L206L90-M94 WeakPolarHBondContact O-CB 3.35Å; L90-M94 PolarHBondContact O-N 3.38Å; T91-M94 PolarHBondContact O-N 2.83Å; I92-M94 VanDerWaalsContact C-N 3.34Å; I92-M94 PolarHBondContact O-N 3.3Å; M94-I96 VanDerWaalsContact C-N 3.34Å; M94-I96 PolarHBondContact O-N 3.39Å; M94-E97 PolarHBondContact O-N 3.46Å; M94-I98 HydrophobicContact CG-CD1 3.91Å; M94-I98 WeakPolarHBondContact O-CG1 3.45Å; M94-I98 PolarHBondContact O-N 3.49Å; M94-H202 HydrophobicContact CB-CB 4.08Å; M94-H202 HydrophobicContact CG-CB 4.1Å; M94-G203 VanDerWaalsContact SD-CA 3.54Å; M94-L206 HydrophobicContact SD-CD1 3.98Å
95I97.4Very high95.2Very high106 Ų10641.3 Ų41.354%0.54423%0.232SC..Hα-helixtrans-62.9-43177.6-67.5164000110.6T91 I92 V93 G99T91-I95 HydrophobicContact CG2-CD1 4.17Å; T91-I95 VanDerWaalsContact O-CG1 3.32Å; T91-I95 WeakPolarHBondContact O-CG1 3.33Å; T91-I95 PolarHBondContact O-N 2.98Å; T91-I95 VanDerWaalsContact O-N 3.09Å; I92-I95 PolarHBondContact O-N 3.07Å; V93-I95 VanDerWaalsContact C-N 3.33Å; V93-I95 PolarHBondContact O-N 3.37Å; I95-G99 WeakPolarHBondContact O-CA 3.19Å; I95-G99 PolarHBondContact O-N 3.44Å
96I97.2Very high95Very high41 Ų4144.2 Ų44.221%0.2125%0.248CC..Hα-helixtrans-61.4-46.1177-68167.6000110.6T56 F59 L63 I92 V93 M94 G99 I100T56-I96 HydrophobicContact CG2-CG2 3.73Å; F59-I96 HydrophobicContact CE1-CD1 4.37Å; L63-I96 HydrophobicContact CD2-CD1 4.41Å; I92-I96 HydrophobicContact CG2-CD1 3.88Å; I92-I96 HydrophobicContact CG2-CG1 4.49Å; I92-I96 WeakPolarHBondContact O-CG1 3.34Å; I92-I96 PolarHBondContact O-N 3.45Å; V93-I96 PolarHBondContact O-N 3.1Å; V93-I96 VanDerWaalsContact O-N 3.16Å; M94-I96 VanDerWaalsContact C-N 3.34Å; M94-I96 PolarHBondContact O-N 3.39Å; I96-G99 PolarHBondContact O-N 3.3Å; I96-I100 WeakPolarHBondContact O-CB 3.43Å; I96-I100 VanDerWaalsContact O-CG2 3.24Å; I96-I100 WeakPolarHBondContact O-CG2 3.33Å; I96-I100 PolarHBondContact O-N 2.98Å
97E95.6Very high94.8Very high0 Ų050.2 Ų50.20%028%0.277CS..Hα-helixtrans-63.8-48-177.6-75.1170.3172.800112.7V93 M94 G99 I100 A101 C195 F198 G199 H202V93-E97 HydrophobicContact CG1-CG 4.34Å; V93-E97 VanDerWaalsContact CG1-OE1 3.32Å; V93-E97 WeakPolarHBondContact CG1-OE1 3.4Å; V93-E97 WeakPolarHBondContact O-CG 3.36Å; V93-E97 PolarHBondContact O-N 2.95Å; M94-E97 PolarHBondContact O-N 3.46Å; E97-G99 VanDerWaalsContact C-N 3.34Å; E97-I100 WeakPolarHBondContact O-CG2 3.37Å; E97-A101 WeakPolarHBondContact O-CB 3.35Å; E97-A101 PolarHBondContact O-N 3.37Å; E97-C195 HydrophobicContact CB-CB 4.34Å; E97-F198 VanDerWaalsContact CD-CD1 3.44Å; E97-F198 WeakPolarHBondContact OE1-CD1 3.3Å; E97-F198 WeakPolarHBondContact OE1-CE1 2.93Å; E97-F198 WeakPolarHBondContact OE2-CD1 3.29Å; E97-G199 PolarHBondContact OE2-N 3.12Å; E97-H202 IonicContact OE1-CE1 2.64Å; E97-H202 IonicContact OE2-CE1 3.87Å; E97-H202 PolarHBondContact OE2-CE1 3.12Å; E97-H202 IonicContact OE2-ND1 2.98Å; E97-H202 PolarHBondContact OE2-ND1 3.27Å
98I95.5Very high94.4Very high64 Ų6459.7 Ų59.733%0.32832%0.318SS..Hα-helixtrans-66.8-41.7177.3-64.6172.3000109.9M94 S102M94-I98 HydrophobicContact CG-CD1 3.91Å; M94-I98 WeakPolarHBondContact O-CG1 3.45Å; M94-I98 PolarHBondContact O-N 3.49Å; I98-S102 WeakPolarHBondContact O-CB 3.32Å; I98-S102 PolarHBondContact O-N 2.9Å; I98-S102 PolarHBondContact O-OG 2.86Å
99G96.1Very high93.8Very high38 Ų3857.6 Ų57.639%0.39230%0.302SS..Hα-helixtrans-61.4-49.7179.200000112.3I95 I96 E97 S102 S103I95-G99 WeakPolarHBondContact O-CA 3.19Å; I95-G99 PolarHBondContact O-N 3.44Å; I96-G99 PolarHBondContact O-N 3.3Å; E97-G99 VanDerWaalsContact C-N 3.34Å; G99-S102 PolarHBondContact O-N 3.49Å; G99-S103 WeakPolarHBondContact O-CB 3.47Å; G99-S103 PolarHBondContact O-N 3.35Å; G99-S103 PolarHBondContact O-OG 2.97Å; G99-S103 VanDerWaalsContact O-OG 3.13Å
100I95.3Very high93.6Very high15 Ų1564.2 Ų64.28%0.07733%0.331CS..Hα-helixtrans-70.1-37.3-179.7-165.863.7000112.1I53 T56 I96 E97 S103 S104I53-I100 HydrophobicContact CB-CD1 4.39Å; I53-I100 HydrophobicContact CB-CG1 4.05Å; I53-I100 HydrophobicContact CG1-CG1 3.86Å; T56-I100 HydrophobicContact CG2-CB 3.9Å; T56-I100 HydrophobicContact CG2-CD1 3.96Å; T56-I100 HydrophobicContact CG2-CG1 3.8Å; T56-I100 HydrophobicContact CG2-CG2 4.32Å; I96-I100 WeakPolarHBondContact O-CB 3.43Å; I96-I100 VanDerWaalsContact O-CG2 3.24Å; I96-I100 WeakPolarHBondContact O-CG2 3.33Å; I96-I100 PolarHBondContact O-N 2.98Å; E97-I100 WeakPolarHBondContact O-CG2 3.37Å; I100-S103 WeakPolarHBondContact CA-OG 3.22Å; I100-S103 PolarHBondContact O-OG 3.41Å; I100-S104 WeakPolarHBondContact O-CB 3.46Å; I100-S104 PolarHBondContact O-N 2.98Å; I100-S104 PolarHBondContact O-OG 3.24Å
101A95.3Very high93.4Very high0 Ų064.5 Ų64.50%033%0.332CS..Hα-helixtrans-66.3-41.7177.500000111.1E97 K105 I192 C195 F196E97-A101 WeakPolarHBondContact O-CB 3.35Å; E97-A101 PolarHBondContact O-N 3.37Å; A101-K105 WeakPolarHBondContact O-CB 3.35Å; A101-K105 PolarHBondContact O-N 3.47Å; A101-K105 VanDerWaalsContact O-N 3.07Å; A101-I192 HydrophobicContact CB-CG2 4.35Å; A101-C195 HydrophobicContact CB-CB 3.99Å; A101-F196 HydrophobicContact CB-CD1 4.29Å; A101-F196 HydrophobicContact CB-CD2 3.55Å; A101-F196 HydrophobicContact CB-CE1 4.2Å; A101-F196 HydrophobicContact CB-CE2 3.45Å; A101-F196 VanDerWaalsContact CB-CE2 3.45Å; A101-F196 HydrophobicContact CB-CG 3.97Å; A101-F196 HydrophobicContact CB-CZ 3.79Å
102S94.7Very high93.2Very high42 Ų4266 Ų6629%0.29434%0.336SS..Hα-helixtrans-68-49.5177.2-57.10000111.9I98 G99 S104 K105 L106I98-S102 WeakPolarHBondContact O-CB 3.32Å; I98-S102 PolarHBondContact O-N 2.9Å; I98-S102 PolarHBondContact O-OG 2.86Å; G99-S102 PolarHBondContact O-N 3.49Å; S102-S104 VanDerWaalsContact C-N 3.3Å; S102-S104 PolarHBondContact O-N 2.77Å; S102-K105 PolarHBondContact O-N 2.94Å; S102-K105 VanDerWaalsContact O-N 3.14Å; S102-L106 WeakPolarHBondContact O-CG 3.49Å; S102-L106 PolarHBondContact O-N 2.95Å
103S94.5Very high93.1Very high40 Ų4066.4 Ų66.428%0.2834%0.343SS..Hα-helixtrans-61.2-41.3178.467.90000111.1G99 I100 K105 L106 M107G99-S103 WeakPolarHBondContact O-CB 3.47Å; G99-S103 PolarHBondContact O-N 3.35Å; G99-S103 PolarHBondContact O-OG 2.97Å; G99-S103 VanDerWaalsContact O-OG 3.13Å; I100-S103 WeakPolarHBondContact CA-OG 3.22Å; I100-S103 PolarHBondContact O-OG 3.41Å; S103-K105 VanDerWaalsContact C-N 3.29Å; S103-K105 PolarHBondContact O-N 3.13Å; S103-L106 PolarHBondContact O-N 3.5Å; S103-M107 WeakPolarHBondContact O-CA 3.38Å; S103-M107 WeakPolarHBondContact O-CB 3.43Å; S103-M107 VanDerWaalsContact O-CG 3.25Å; S103-M107 WeakPolarHBondContact O-CG 3.37Å; S103-M107 PolarHBondContact O-N 3.46Å
104S93.8Very high93Very high6 Ų669.4 Ų69.44%0.04236%0.357CS..Hα-helixtrans-66-30.9177.5-61.90000113I53 I100 S102 K188I53-S104 WeakPolarHBondContact CB-OG 3.24Å; I53-S104 WeakPolarHBondContact CD1-OG 3.42Å; I100-S104 WeakPolarHBondContact O-CB 3.46Å; I100-S104 PolarHBondContact O-N 2.98Å; I100-S104 PolarHBondContact O-OG 3.24Å; S102-S104 VanDerWaalsContact C-N 3.3Å; S102-S104 PolarHBondContact O-N 2.77Å; S104-K188 WeakPolarHBondContact O-CE 3.4Å; S104-K188 PolarHBondContact O-NZ 3.28Å
105K90.8Very high93Very high149 Ų14967.6 Ų67.665%0.64835%0.348SS*.Hα-helixtrans-73.2-37.8175.8-175.462.5177.5-175.50112A101 S102 S103A101-K105 WeakPolarHBondContact O-CB 3.35Å; A101-K105 PolarHBondContact O-N 3.47Å; A101-K105 VanDerWaalsContact O-N 3.07Å; S102-K105 PolarHBondContact O-N 2.94Å; S102-K105 VanDerWaalsContact O-N 3.14Å; S103-K105 VanDerWaalsContact C-N 3.29Å; S103-K105 PolarHBondContact O-N 3.13Å
106L90.2Very high92.9Very high150 Ų15065.5 Ų65.579%0.78534%0.336SS*.Hα-helixtrans-91.4-31.1-172.5-61.6174.9000113.3S102 S103S102-L106 WeakPolarHBondContact O-CG 3.49Å; S102-L106 PolarHBondContact O-N 2.95Å; S103-L106 PolarHBondContact O-N 3.5Å
107M87.7Confident92.9Very high126 Ų12671.1 Ų71.162%0.62135%0.354SS*.SBendtrans-96.3135.7-174.1-58.1-179.57400111.4S103S103-M107 WeakPolarHBondContact O-CA 3.38Å; S103-M107 WeakPolarHBondContact O-CB 3.43Å; S103-M107 VanDerWaalsContact O-CG 3.25Å; S103-M107 WeakPolarHBondContact O-CG 3.37Å; S103-M107 PolarHBondContact O-N 3.46Å
108K85.4Confident92.9Very high208 Ų20871.1 Ų71.190%0.90435%0.354SS*.PPolyproline II helixtrans-77.3125.9168.1-69.7-178179.7178.20108.9
109D83.1Confident93Very high32 Ų3268 Ų6817%0.17134%0.339CS..PPolyproline II helixtrans-77.6143.2174.6-55.6-68.7000110.6P51 F111 K188P51-D109 HydrophobicContact CB-CB 4.26Å; P51-D109 HydrophobicContact CG-CB 4.18Å; D109-F111 HydrophobicContact CB-CB 4.4Å; D109-F111 PolarHBondContact O-N 3.33Å; D109-K188 WeakPolarHBondContact OD2-CE 3.09Å; D109-K188 IonicContact OD2-NZ 3.49Å; D109-K188 PolarHBondContact OD2-NZ 2.94Å
110Q90Very high93.1Very high162 Ų16268 Ų6876%0.75733%0.33SS*.THydrogen-bonded Turntrans-72.6-9.6175-65.6-177.9-3900113.2F112 T113 E114Q110-F112 VanDerWaalsContact C-N 3.29Å; Q110-F112 PolarHBondContact O-N 3.44Å; Q110-T113 PolarHBondContact O-N 3.43Å; Q110-E114 PolarHBondContact O-N 3.46Å
111F92.4Very high93.1Very high6 Ų671 Ų713%0.02634%0.344CS..Hα-helixtrans-51.6-46.5-177.6175.4-93.8000112.3L39 A48 T49 P51 D109 E114 A115 V184L39-F111 HydrophobicContact CD1-CE2 3.78Å; L39-F111 HydrophobicContact CD1-CZ 3.81Å; L39-F111 HydrophobicContact CD2-CZ 4.3Å; A48-F111 HydrophobicContact CB-CD2 3.88Å; A48-F111 HydrophobicContact CB-CE2 3.85Å; T49-F111 WeakPolarHBondContact O-CD2 3.3Å; P51-F111 HydrophobicContact CG-CB 3.86Å; P51-F111 HydrophobicContact CG-CG 4.23Å; D109-F111 HydrophobicContact CB-CB 4.4Å; D109-F111 PolarHBondContact O-N 3.33Å; F111-E114 PolarHBondContact O-N 3.4Å; F111-A115 HydrophobicContact CE1-CB 4.2Å; F111-A115 HydrophobicContact CZ-CB 4.24Å; F111-A115 WeakPolarHBondContact O-CB 3.43Å; F111-A115 PolarHBondContact O-N 3.43Å; F111-V184 HydrophobicContact CD1-CB 4.3Å; F111-V184 HydrophobicContact CD1-CG1 4.18Å; F111-V184 HydrophobicContact CD1-CG2 3.83Å; F111-V184 HydrophobicContact CE1-CB 4.17Å; F111-V184 HydrophobicContact CE1-CG1 4.48Å; F111-V184 HydrophobicContact CE1-CG2 3.28Å; F111-V184 HydrophobicContact CZ-CG2 3.71Å
112F92.3Very high93.2Very high68 Ų6871.1 Ų71.130%0.29835%0.345SS..Hα-helixtrans-65-47.8-177.1176.6-119.1000112Q110 E114 A115 H116 A177 N181Q110-F112 VanDerWaalsContact C-N 3.29Å; Q110-F112 PolarHBondContact O-N 3.44Å; F112-E114 VanDerWaalsContact C-N 3.33Å; F112-E114 PolarHBondContact O-N 2.96Å; F112-A115 PolarHBondContact O-N 2.92Å; F112-H116 WeakPolarHBondContact O-CB 3.34Å; F112-H116 PolarHBondContact O-N 3.4Å; F112-A177 HydrophobicContact CE2-CB 4.24Å; F112-N181 HydrophobicContact CD2-CB 3.6Å; F112-N181 HydrophobicContact CE2-CB 3.88Å; F112-N181 HydrophobicContact CG-CB 4.43Å
113T94.5Very high93.3Very high102 Ų10269.3 Ų69.363%0.62633%0.332SS*.Hα-helixtrans-60.3-44.1178.9-52.90000111.4Q110 R117Q110-T113 PolarHBondContact O-N 3.43Å; T113-R117 WeakPolarHBondContact O-CB 3.45Å; T113-R117 PolarHBondContact O-N 2.89Å
114E95Very high93.4Very high64 Ų6472.6 Ų72.630%0.29934%0.343SS..Hα-helixtrans-70-45-179.8-171.953.9-130.700111.8A48 Q110 F111 F112 H116 R117 S118A48-E114 HydrophobicContact CB-CB 4.05Å; A48-E114 HydrophobicContact CB-CG 3.94Å; Q110-E114 PolarHBondContact O-N 3.46Å; F111-E114 PolarHBondContact O-N 3.4Å; F112-E114 VanDerWaalsContact C-N 3.33Å; F112-E114 PolarHBondContact O-N 2.96Å; E114-H116 VanDerWaalsContact C-N 3.32Å; E114-H116 PolarHBondContact O-N 3.16Å; E114-R117 PolarHBondContact O-N 3.35Å; E114-S118 VanDerWaalsContact O-CB 3.29Å; E114-S118 WeakPolarHBondContact O-CB 3.29Å; E114-S118 PolarHBondContact O-N 3.48Å; E114-S118 PolarHBondContact O-OG 2.91Å; E114-S118 PolarHBondContact OE1-OG 3.07Å
115A95.3Very high93.5Very high1 Ų177.6 Ų77.61%0.00836%0.364CS..Hα-helixtrans-60-44.3176.300000111.1L46 A48 F111 F112 S118 L119L46-A115 HydrophobicContact CD2-CB 3.99Å; A48-A115 HydrophobicContact CB-CB 3.98Å; F111-A115 HydrophobicContact CE1-CB 4.2Å; F111-A115 HydrophobicContact CZ-CB 4.24Å; F111-A115 WeakPolarHBondContact O-CB 3.43Å; F111-A115 PolarHBondContact O-N 3.43Å; F112-A115 PolarHBondContact O-N 2.92Å; A115-S118 PolarHBondContact O-N 3.26Å; A115-L119 VanDerWaalsContact O-CB 3.3Å; A115-L119 WeakPolarHBondContact O-CB 3.47Å; A115-L119 WeakPolarHBondContact O-CG 3.38Å; A115-L119 PolarHBondContact O-N 3.02Å
116H96Very high93.8Very high61 Ų6170.7 Ų70.728%0.28233%0.334SS..Hα-helixtrans-61-47.8176.5174.6-83.3000111.6F112 E114 N120 N149 A177F112-H116 WeakPolarHBondContact O-CB 3.34Å; F112-H116 PolarHBondContact O-N 3.4Å; E114-H116 VanDerWaalsContact C-N 3.32Å; E114-H116 PolarHBondContact O-N 3.16Å; H116-N120 PolarHBondContact CE1-ND2 3.3Å; H116-N120 PolarHBondContact ND1-ND2 3.39Å; H116-N120 PolarHBondContact NE2-ND2 3.01Å; H116-N120 WeakPolarHBondContact O-CB 3.09Å; H116-N120 PolarHBondContact O-N 2.72Å; H116-N120 VanDerWaalsContact O-N 3.08Å; H116-N120 PolarHBondContact O-ND2 3.5Å; H116-N149 PolarHBondContact CD2-OD1 2.64Å; H116-N149 VanDerWaalsContact NE2-CG 3.29Å; H116-N149 PolarHBondContact NE2-ND2 2.99Å; H116-N149 PolarHBondContact NE2-OD1 3.24Å; H116-A177 HydrophobicContact CB-CB 4.03Å
117R96.7Very high94.1Very high159 Ų15969 Ų6960%0.632%0.317SS*.Hα-helixtrans-60.5-48.4177.6-177-173.1173.393.21.1111.4T113 E114 N120 M121T113-R117 WeakPolarHBondContact O-CB 3.45Å; T113-R117 PolarHBondContact O-N 2.89Å; E114-R117 PolarHBondContact O-N 3.35Å; R117-N120 PolarHBondContact O-N 2.94Å; R117-M121 HydrophobicContact CG-CE 4.13Å; R117-M121 WeakPolarHBondContact O-CG 3.1Å; R117-M121 PolarHBondContact O-N 3.25Å; R117-M121 VanDerWaalsContact O-N 3.09Å
118S96.9Very high94.5Very high0 Ų068.5 Ų68.50%032%0.321CS..Hα-helixtrans-66.5-44.2-177-73.90000112.4I45 L46 E114 A115 N120 M121 S122I45-S118 CarbonylContact O-C 3.45Å; L46-S118 WeakPolarHBondContact O-CB 3.36Å; L46-S118 PolarHBondContact O-OG 3.09Å; E114-S118 VanDerWaalsContact O-CB 3.29Å; E114-S118 WeakPolarHBondContact O-CB 3.29Å; E114-S118 PolarHBondContact O-N 3.48Å; E114-S118 PolarHBondContact O-OG 2.91Å; E114-S118 PolarHBondContact OE1-OG 3.07Å; A115-S118 PolarHBondContact O-N 3.26Å; S118-N120 VanDerWaalsContact C-N 3.31Å; S118-N120 PolarHBondContact O-N 3.03Å; S118-M121 PolarHBondContact O-N 3.07Å; S118-M121 VanDerWaalsContact O-N 3.09Å; S118-S122 WeakPolarHBondContact O-CB 3.24Å; S118-S122 PolarHBondContact O-N 2.88Å; S118-S122 PolarHBondContact O-OG 3.06Å
119L97.6Very high95.1Very high0 Ų061.1 Ų61.10%029%0.292CS..Hα-helixtrans-60.8-40.5174.1-71.7170.6000111.9I45 L46 A115 M121 S122 V123 F136 L139 A148 C176 A177 L180I45-L119 HydrophobicContact CB-CD2 4.43Å; I45-L119 HydrophobicContact CD1-CD2 4.03Å; I45-L119 HydrophobicContact CG1-CD2 4.17Å; L46-L119 HydrophobicContact CD2-CD1 3.86Å; L46-L119 HydrophobicContact CD2-CD2 3.92Å; L46-L119 HydrophobicContact CD2-CG 3.81Å; A115-L119 VanDerWaalsContact O-CB 3.3Å; A115-L119 WeakPolarHBondContact O-CB 3.47Å; A115-L119 WeakPolarHBondContact O-CG 3.38Å; A115-L119 PolarHBondContact O-N 3.02Å; L119-M121 VanDerWaalsContact C-N 3.28Å; L119-M121 PolarHBondContact O-N 3.39Å; L119-S122 PolarHBondContact O-N 2.88Å; L119-V123 WeakPolarHBondContact O-CB 3.42Å; L119-V123 PolarHBondContact O-N 3.14Å; L119-F136 HydrophobicContact CB-CZ 4.4Å; L119-F136 HydrophobicContact CD2-CE1 4.01Å; L119-F136 HydrophobicContact CD2-CE2 4.37Å; L119-F136 HydrophobicContact CD2-CZ 3.67Å; L119-L139 HydrophobicContact CD2-CD2 4.03Å; L119-A148 HydrophobicContact CB-CB 3.67Å; L119-C176 HydrophobicContact CD1-CB 4.21Å; L119-A177 HydrophobicContact CD1-CB 4.09Å; L119-L180 HydrophobicContact CD1-CD1 4.18Å
120N96.9Very high95.7Very high38 Ų3865 Ų6520%0.20331%0.312CS..Hα-helixtrans-63.6-31.2175.4-86.9-61.2000113.1H116 R117 S118 V123 Q124 A148 N149H116-N120 PolarHBondContact CE1-ND2 3.3Å; H116-N120 PolarHBondContact ND1-ND2 3.39Å; H116-N120 PolarHBondContact NE2-ND2 3.01Å; H116-N120 WeakPolarHBondContact O-CB 3.09Å; H116-N120 PolarHBondContact O-N 2.72Å; H116-N120 VanDerWaalsContact O-N 3.08Å; H116-N120 PolarHBondContact O-ND2 3.5Å; R117-N120 PolarHBondContact O-N 2.94Å; S118-N120 VanDerWaalsContact C-N 3.31Å; S118-N120 PolarHBondContact O-N 3.03Å; N120-V123 WeakPolarHBondContact O-CG1 3.47Å; N120-Q124 WeakPolarHBondContact O-CG 2.97Å; N120-Q124 PolarHBondContact O-NE2 3.28Å; N120-A148 HydrophobicContact CB-CB 4.25Å; N120-A148 WeakPolarHBondContact OD1-CB 3.37Å; N120-N149 PolarHBondContact ND2-ND2 2.82Å; N120-N149 PolarHBondContact OD1-ND2 2.72Å
121M96.4Very high96Very high77 Ų7760 Ų6038%0.37929%0.294SS..Hα-helixtrans-78.1-40.5173.6-67.8-174.7-62.600111.4R117 S118 L119 Q124R117-M121 HydrophobicContact CG-CE 4.13Å; R117-M121 WeakPolarHBondContact O-CG 3.1Å; R117-M121 PolarHBondContact O-N 3.25Å; R117-M121 VanDerWaalsContact O-N 3.09Å; S118-M121 PolarHBondContact O-N 3.07Å; S118-M121 VanDerWaalsContact O-N 3.09Å; L119-M121 VanDerWaalsContact C-N 3.28Å; L119-M121 PolarHBondContact O-N 3.39Å; M121-Q124 PolarHBondContact O-N 3.48Å
122S96.4Very high96.3Very high3 Ų361.3 Ų61.32%0.02130%0.299CS..Hα-helixtrans-71.6-32.2-177-66.50000112.7I45 S118 L119 Q124 K125 Y126 Y132I45-S122 PolarHBondContact O-OG 3.02Å; S118-S122 WeakPolarHBondContact O-CB 3.24Å; S118-S122 PolarHBondContact O-N 2.88Å; S118-S122 PolarHBondContact O-OG 3.06Å; L119-S122 PolarHBondContact O-N 2.88Å; S122-Q124 VanDerWaalsContact C-N 3.26Å; S122-Q124 PolarHBondContact O-N 3.13Å; S122-K125 CarbonylContact O-C 3.57Å; S122-K125 PolarHBondContact O-N 3.38Å; S122-Y126 PolarHBondContact O-N 2.94Å; S122-Y132 WeakPolarHBondContact OG-CE2 3.17Å
123V96.7Very high96.5Very high4 Ų460.1 Ų60.12%0.02429%0.294CS..Hα-helixtrans-61.5-35.7177.177.50000111.4L119 N120 K125 Y126 F136 D153 Y154 Q159L119-V123 WeakPolarHBondContact O-CB 3.42Å; L119-V123 PolarHBondContact O-N 3.14Å; N120-V123 WeakPolarHBondContact O-CG1 3.47Å; V123-K125 PolarHBondContact O-N 3.18Å; V123-Y126 WeakPolarHBondContact O-CB 3.15Å; V123-Y126 PolarHBondContact O-N 3.4Å; V123-F136 HydrophobicContact CB-CE2 4.42Å; V123-F136 HydrophobicContact CB-CZ 4.03Å; V123-F136 HydrophobicContact CG2-CZ 4.46Å; V123-D153 HydrophobicContact CG1-CB 4.21Å; V123-D153 HydrophobicContact CG2-CB 4.32Å; V123-Y154 HydrophobicContact CG2-CD1 3.88Å; V123-Y154 HydrophobicContact CG2-CD2 4.43Å; V123-Y154 HydrophobicContact CG2-CE1 3.4Å; V123-Y154 HydrophobicContact CG2-CE2 4.01Å; V123-Y154 HydrophobicContact CG2-CG 4.37Å; V123-Y154 VanDerWaalsContact CG2-CZ 3.47Å; V123-Q159 PolarHBondContact O-OE1 3.12Å
124Q96.3Very high96.7Very high109 Ų10960.1 Ų60.151%0.50929%0.288SS..Hα-helixtrans-63.9-27.2177.3-52.3-178.55.900112.3N120 M121 S122 V157 Q159N120-Q124 WeakPolarHBondContact O-CG 2.97Å; N120-Q124 PolarHBondContact O-NE2 3.28Å; M121-Q124 PolarHBondContact O-N 3.48Å; S122-Q124 VanDerWaalsContact C-N 3.26Å; S122-Q124 PolarHBondContact O-N 3.13Å; Q124-V157 HydrophobicContact CG-CG1 4.11Å; Q124-Q159 PolarHBondContact O-NE2 3.05Å
125K96.3Very high96.8Very high111 Ų11157.5 Ų57.548%0.48328%0.276SS..THydrogen-bonded Turntrans-988.9179.5-62.4-176.6-177.9178.70112.8S122 V123 W127 T128 N129 Y132S122-K125 CarbonylContact O-C 3.57Å; S122-K125 PolarHBondContact O-N 3.38Å; V123-K125 PolarHBondContact O-N 3.18Å; K125-W127 PolarHBondContact O-N 2.87Å; K125-T128 WeakPolarHBondContact CA-OG1 3.34Å; K125-T128 PolarHBondContact O-N 2.98Å; K125-T128 PolarHBondContact O-OG1 3.44Å; K125-N129 HydrophobicContact CB-CB 4.33Å; K125-N129 WeakPolarHBondContact O-CB 3.25Å; K125-N129 PolarHBondContact O-N 3.12Å; K125-Y132 HydrophobicContact CB-CD2 3.82Å; K125-Y132 HydrophobicContact CB-CE2 4.16Å; K125-Y132 HydrophobicContact CD-CE2 4.08Å
126Y97.2Very high96.9Very high4 Ų457.5 Ų57.52%0.01628%0.276CS..THydrogen-bonded Turntrans-55.9-49.5-175.7174.3-85.1000112.1S122 V123 Q133 F136 D137 Y154 P162S122-Y126 PolarHBondContact O-N 2.94Å; V123-Y126 WeakPolarHBondContact O-CB 3.15Å; V123-Y126 PolarHBondContact O-N 3.4Å; Y126-Q133 HydrophobicContact CD1-CG 4.47Å; Y126-Q133 HydrophobicContact CD2-CG 4.37Å; Y126-Q133 HydrophobicContact CE1-CG 3.86Å; Y126-Q133 HydrophobicContact CE2-CB 4.41Å; Y126-Q133 HydrophobicContact CE2-CG 3.77Å; Y126-Q133 VanDerWaalsContact CZ-CG 3.46Å; Y126-Q133 WeakPolarHBondContact O-CB 3.5Å; Y126-Q133 WeakPolarHBondContact OH-CG 3.48Å; Y126-F136 HydrophobicContact CD2-CB 3.7Å; Y126-F136 HydrophobicContact CD2-CD2 4.31Å; Y126-F136 HydrophobicContact CD2-CG 4.1Å; Y126-F136 HydrophobicContact CE2-CB 3.77Å; Y126-D137 PolarHBondContact OH-OD1 3.19Å; Y126-Y154 HydrophobicContact CD1-CE1 4.01Å; Y126-Y154 HydrophobicContact CD2-CE1 4.12Å; Y126-Y154 AromaticContact CG-CE1 3.71Å; Y126-Y154 HydrophobicContact CG-CE1 3.71Å; Y126-P162 HydrophobicContact CD1-CG 4Å; Y126-P162 HydrophobicContact CD2-CG 4.31Å; Y126-P162 HydrophobicContact CE1-CB 4.08Å; Y126-P162 HydrophobicContact CE1-CG 3.45Å; Y126-P162 VanDerWaalsContact CE1-CG 3.45Å; Y126-P162 HydrophobicContact CE2-CB 4.23Å; Y126-P162 HydrophobicContact CE2-CG 3.75Å; Y126-P162 HydrophobicContact CG-CG 4.42Å; Y126-P162 WeakPolarHBondContact OH-CB 3.47Å
127W96.4Very high97Very high115 Ų11556.3 Ų56.344%0.43627%0.272SS..THydrogen-bonded Turntrans-83.4-9.6-178.8-68.1106.4000114.6K125 L160K125-W127 PolarHBondContact O-N 2.87Å; W127-L160 HydrophobicContact CZ2-CB 4.08Å; W127-L160 PolarHBondContact NE1-O 3.26Å
128T96.7Very high97.1Very high115 Ų11552 Ų5271%0.70626%0.261SS*.THydrogen-bonded Turntrans-107.2-13.7-177.156.70000113.2K125K125-T128 WeakPolarHBondContact CA-OG1 3.34Å; K125-T128 PolarHBondContact O-N 2.98Å; K125-T128 PolarHBondContact O-OG1 3.44Å
129N97.3Very high97.1Very high52 Ų5252 Ų5228%0.27826%0.261SS..  trans-127.6104.6179.9-173.7-41.2000110.6K125 C131 Y132 Q133K125-N129 HydrophobicContact CB-CB 4.33Å; K125-N129 WeakPolarHBondContact O-CB 3.25Å; K125-N129 PolarHBondContact O-N 3.12Å; N129-C131 VanDerWaalsContact C-N 3.25Å; N129-C131 PolarHBondContact O-N 3.04Å; N129-C131 WeakPolarHBondContact OD1-CB 3.31Å; N129-C131 PolarHBondContact OD1-N 2.99Å; N129-Y132 HydrophobicContact CB-CD2 4.31Å; N129-Y132 HydrophobicContact CB-CG 4.06Å; N129-Y132 WeakPolarHBondContact O-CB 3.28Å; N129-Y132 PolarHBondContact O-N 3.41Å; N129-Y132 PolarHBondContact OD1-N 3.1Å; N129-Y132 VanDerWaalsContact OD1-N 3.11Å; N129-Q133 PolarHBondContact O-N 3.39Å
130L97Very high97.2Very high114 Ų11452 Ų5260%0.59726%0.261SS*.Hα-helixtrans-57-36.6-178.7-174.964000112.9Y132 Q133 M134L130-Y132 VanDerWaalsContact C-N 3.33Å; L130-Y132 PolarHBondContact O-N 3.37Å; L130-Q133 WeakPolarHBondContact O-CB 3.44Å; L130-Q133 PolarHBondContact O-N 3.12Å; L130-M134 HydrophobicContact CG-CE 4.29Å; L130-M134 WeakPolarHBondContact O-CG 3.5Å; L130-M134 PolarHBondContact O-N 2.85Å
131C96.9Very high97.2Very high56 Ų5656 Ų5638%0.37828%0.276SS..Hα-helixtrans-67.2-34.9177.8-670000112.4N129 E135N129-C131 VanDerWaalsContact C-N 3.25Å; N129-C131 PolarHBondContact O-N 3.04Å; N129-C131 WeakPolarHBondContact OD1-CB 3.31Å; N129-C131 PolarHBondContact OD1-N 2.99Å; C131-E135 PolarHBondContact O-N 2.8Å
132Y97.2Very high97.2Very high34 Ų3455.5 Ų55.513%0.13328%0.278CS..Hα-helixtrans-73.5-41.6174.9-74.213.4000110.5R44 I45 S122 K125 N129 L130 M134 E135 F136R44-Y132 HydrophobicContact CB-CD1 4.36Å; R44-Y132 HydrophobicContact CB-CE1 4.08Å; I45-Y132 HydrophobicContact CG2-CD1 4.03Å; I45-Y132 HydrophobicContact CG2-CD2 4.48Å; I45-Y132 HydrophobicContact CG2-CG 3.94Å; S122-Y132 WeakPolarHBondContact OG-CE2 3.17Å; K125-Y132 HydrophobicContact CB-CD2 3.82Å; K125-Y132 HydrophobicContact CB-CE2 4.16Å; K125-Y132 HydrophobicContact CD-CE2 4.08Å; N129-Y132 HydrophobicContact CB-CD2 4.31Å; N129-Y132 HydrophobicContact CB-CG 4.06Å; N129-Y132 WeakPolarHBondContact O-CB 3.28Å; N129-Y132 PolarHBondContact O-N 3.41Å; N129-Y132 PolarHBondContact OD1-N 3.1Å; N129-Y132 VanDerWaalsContact OD1-N 3.11Å; L130-Y132 VanDerWaalsContact C-N 3.33Å; L130-Y132 PolarHBondContact O-N 3.37Å; Y132-M134 PolarHBondContact O-N 3.31Å; Y132-E135 PolarHBondContact O-N 3.44Å; Y132-F136 WeakPolarHBondContact O-CB 3.26Å; Y132-F136 PolarHBondContact O-N 2.86Å
133Q97.6Very high97.2Very high44 Ų4457.3 Ų57.321%0.20629%0.285CS..Hα-helixtrans-53.7-51.4175.5-163.9-177.2-10.500111.4Y126 N129 L130 E135 F136 D137Y126-Q133 HydrophobicContact CD1-CG 4.47Å; Y126-Q133 HydrophobicContact CD2-CG 4.37Å; Y126-Q133 HydrophobicContact CE1-CG 3.86Å; Y126-Q133 HydrophobicContact CE2-CB 4.41Å; Y126-Q133 HydrophobicContact CE2-CG 3.77Å; Y126-Q133 VanDerWaalsContact CZ-CG 3.46Å; Y126-Q133 WeakPolarHBondContact O-CB 3.5Å; Y126-Q133 WeakPolarHBondContact OH-CG 3.48Å; N129-Q133 PolarHBondContact O-N 3.39Å; L130-Q133 WeakPolarHBondContact O-CB 3.44Å; L130-Q133 PolarHBondContact O-N 3.12Å; Q133-E135 PolarHBondContact O-N 2.92Å; Q133-F136 PolarHBondContact O-N 3.3Å; Q133-D137 WeakPolarHBondContact O-CB 3.44Å; Q133-D137 VanDerWaalsContact O-CG 3.3Å; Q133-D137 PolarHBondContact O-N 3.44Å
134M97.7Very high97.3Very high101 Ų10162.3 Ų62.350%0.49831%0.308SS..Hα-helixtrans-61.5-42179.8-70.6-175.4-66.700113L130 Y132 N138L130-M134 HydrophobicContact CG-CE 4.29Å; L130-M134 WeakPolarHBondContact O-CG 3.5Å; L130-M134 PolarHBondContact O-N 2.85Å; Y132-M134 PolarHBondContact O-N 3.31Å; M134-N138 WeakPolarHBondContact O-CB 3.34Å; M134-N138 PolarHBondContact O-N 3.21Å; M134-N138 VanDerWaalsContact O-N 3.15Å
135E97.9Very high97.4Very high10 Ų1057.1 Ų57.15%0.04728%0.284CS..Hα-helixtrans-69.2-42177.7-76.5-167.7-169.300112Y42 R44 I45 C131 Y132 Q133 N138 L139Y42-E135 VanDerWaalsContact CA-OE2 3.23Å; Y42-E135 WeakPolarHBondContact CA-OE2 3.48Å; R44-E135 WeakPolarHBondContact CB-OE1 3.42Å; R44-E135 WeakPolarHBondContact CB-OE2 3.39Å; R44-E135 WeakPolarHBondContact CG-OE1 3.5Å; R44-E135 IonicContact CZ-OE1 2.83Å; R44-E135 PolarHBondContact N-OE2 3.34Å; R44-E135 VanDerWaalsContact N-OE2 3.12Å; R44-E135 IonicContact NE-OE1 2.8Å; R44-E135 PolarHBondContact NE-OE1 3.44Å; R44-E135 IonicContact NH1-OE1 3.63Å; R44-E135 IonicContact NH2-OE1 2.86Å; R44-E135 PolarHBondContact NH2-OE1 3.09Å; I45-E135 HydrophobicContact CD1-CB 3.92Å; I45-E135 HydrophobicContact CG1-CB 4.21Å; I45-E135 HydrophobicContact CG2-CB 3.94Å; I45-E135 PolarHBondContact N-OE2 3.36Å; I45-E135 VanDerWaalsContact N-OE2 3.13Å; C131-E135 PolarHBondContact O-N 2.8Å; Y132-E135 PolarHBondContact O-N 3.44Å; Q133-E135 PolarHBondContact O-N 2.92Å; E135-N138 PolarHBondContact O-N 3.45Å; E135-L139 VanDerWaalsContact O-CB 3.3Å; E135-L139 WeakPolarHBondContact O-CB 3.42Å; E135-L139 PolarHBondContact O-N 3.23Å
136F97.4Very high97.5Very high0 Ų051.8 Ų51.80%026%0.261CS..Hα-helixtrans-63.5-44.9175.2-103.9-73.4000111.5I45 L119 V123 Y126 Y132 Q133 N138 L139 Q140I45-F136 HydrophobicContact CB-CD2 4.4Å; I45-F136 HydrophobicContact CB-CE2 4.25Å; I45-F136 HydrophobicContact CD1-CD2 4.05Å; I45-F136 HydrophobicContact CD1-CE2 4.31Å; I45-F136 HydrophobicContact CD1-CG 4.16Å; I45-F136 HydrophobicContact CG2-CD2 3.97Å; I45-F136 HydrophobicContact CG2-CE2 4.21Å; L119-F136 HydrophobicContact CB-CZ 4.4Å; L119-F136 HydrophobicContact CD2-CE1 4.01Å; L119-F136 HydrophobicContact CD2-CE2 4.37Å; L119-F136 HydrophobicContact CD2-CZ 3.67Å; V123-F136 HydrophobicContact CB-CE2 4.42Å; V123-F136 HydrophobicContact CB-CZ 4.03Å; V123-F136 HydrophobicContact CG2-CZ 4.46Å; Y126-F136 HydrophobicContact CD2-CB 3.7Å; Y126-F136 HydrophobicContact CD2-CD2 4.31Å; Y126-F136 HydrophobicContact CD2-CG 4.1Å; Y126-F136 HydrophobicContact CE2-CB 3.77Å; Y132-F136 WeakPolarHBondContact O-CB 3.26Å; Y132-F136 PolarHBondContact O-N 2.86Å; Q133-F136 PolarHBondContact O-N 3.3Å; F136-N138 VanDerWaalsContact C-N 3.27Å; F136-N138 PolarHBondContact O-N 2.95Å; F136-L139 PolarHBondContact O-N 3.44Å; F136-L139 VanDerWaalsContact O-N 3.12Å; F136-Q140 HydrophobicContact CD1-CG 4.19Å; F136-Q140 VanDerWaalsContact O-CB 3.32Å; F136-Q140 WeakPolarHBondContact O-CB 3.32Å; F136-Q140 WeakPolarHBondContact O-CG 3.43Å; F136-Q140 PolarHBondContact O-N 3.5Å
137D98.2Very high97.5Very high36 Ų3651.6 Ų51.619%0.19326%0.26CS..Hα-helixtrans-57.5-44.3178.2-81.2-13.3000111.6Y126 Q133 K141 S164Y126-D137 PolarHBondContact OH-OD1 3.19Å; Q133-D137 WeakPolarHBondContact O-CB 3.44Å; Q133-D137 VanDerWaalsContact O-CG 3.3Å; Q133-D137 PolarHBondContact O-N 3.44Å; D137-K141 WeakPolarHBondContact O-CB 3.4Å; D137-K141 WeakPolarHBondContact O-CG 3.44Å; D137-K141 PolarHBondContact O-N 3.06Å; D137-K141 VanDerWaalsContact O-N 3.15Å; D137-S164 WeakPolarHBondContact OD1-CB 3.06Å; D137-S164 PolarHBondContact OD1-OG 3Å
138N97.7Very high97.5Very high69 Ų6946.1 Ų46.137%0.36924%0.239SC..Hα-helixtrans-67.3-42.7176.1-173.954.7000111.8Y42 M134 E135 F136 T142Y42-N138 HydrophobicContact CE1-CB 4.3Å; Y42-N138 VanDerWaalsContact CE1-ND2 3.32Å; Y42-N138 WeakPolarHBondContact CE1-ND2 3.25Å; Y42-N138 PolarHBondContact OH-ND2 2.94Å; M134-N138 WeakPolarHBondContact O-CB 3.34Å; M134-N138 PolarHBondContact O-N 3.21Å; M134-N138 VanDerWaalsContact O-N 3.15Å; E135-N138 PolarHBondContact O-N 3.45Å; F136-N138 VanDerWaalsContact C-N 3.27Å; F136-N138 PolarHBondContact O-N 2.95Å; N138-T142 WeakPolarHBondContact O-CB 3.46Å; N138-T142 PolarHBondContact O-N 3.24Å; N138-T142 PolarHBondContact O-OG1 2.86Å
139L98Very high97.6Very high0 Ų043.4 Ų43.40%022%0.221CC..Hα-helixtrans-61.3-50.6179.3-175.573.4000111.4Y42 I45 L119 E135 F136 T142 F143 C176 L180Y42-L139 HydrophobicContact CD1-CB 3.87Å; Y42-L139 HydrophobicContact CD1-CD1 3.88Å; Y42-L139 HydrophobicContact CD1-CG 4.43Å; Y42-L139 HydrophobicContact CD2-CD1 3.85Å; Y42-L139 HydrophobicContact CE1-CB 3.69Å; Y42-L139 HydrophobicContact CE1-CD1 3.84Å; Y42-L139 HydrophobicContact CE1-CG 4.4Å; Y42-L139 HydrophobicContact CE2-CD1 3.82Å; Y42-L139 HydrophobicContact CG-CD1 3.87Å; I45-L139 HydrophobicContact CD1-CB 4.4Å; I45-L139 HydrophobicContact CD1-CD2 3.82Å; L119-L139 HydrophobicContact CD2-CD2 4.03Å; E135-L139 VanDerWaalsContact O-CB 3.3Å; E135-L139 WeakPolarHBondContact O-CB 3.42Å; E135-L139 PolarHBondContact O-N 3.23Å; F136-L139 PolarHBondContact O-N 3.44Å; F136-L139 VanDerWaalsContact O-N 3.12Å; L139-T142 PolarHBondContact O-N 3.34Å; L139-F143 HydrophobicContact CD1-CD2 3.51Å; L139-F143 HydrophobicContact CD1-CE2 3.7Å; L139-F143 HydrophobicContact CG-CD2 4.26Å; L139-F143 WeakPolarHBondContact O-CD2 3.19Å; L139-F143 PolarHBondContact O-N 2.98Å; L139-C176 HydrophobicContact CD2-CB 3.74Å; L139-C176 HydrophobicContact CG-CB 4.42Å; L139-L180 HydrophobicContact CD1-CD1 4.14Å; L139-L180 HydrophobicContact CD1-CD2 4Å; L139-L180 HydrophobicContact CD1-CG 4.27Å; L139-L180 HydrophobicContact CD2-CD1 4.34Å
140Q98.2Very high97.5Very high0 Ų042.6 Ų42.60%022%0.219CC..Hα-helixtrans-63.9-42.9-176.9-69-176.5140.300111.8F136 H144 C145 Y154 S164 C165F136-Q140 HydrophobicContact CD1-CG 4.19Å; F136-Q140 VanDerWaalsContact O-CB 3.32Å; F136-Q140 WeakPolarHBondContact O-CB 3.32Å; F136-Q140 WeakPolarHBondContact O-CG 3.43Å; F136-Q140 PolarHBondContact O-N 3.5Å; Q140-H144 VanDerWaalsContact O-CA 3.27Å; Q140-H144 WeakPolarHBondContact O-CA 3.41Å; Q140-H144 PolarHBondContact O-N 2.82Å; Q140-C145 WeakPolarHBondContact CA-O 3.32Å; Q140-C145 WeakPolarHBondContact CB-O 3.4Å; Q140-C145 VanDerWaalsContact CG-O 3.3Å; Q140-C145 WeakPolarHBondContact CG-O 3.45Å; Q140-C145 PolarHBondContact O-N 2.65Å; Q140-Y154 PolarHBondContact OE1-OH 2.91Å; Q140-S164 PolarHBondContact NE2-OG 2.91Å; Q140-C165 HydrophobicContact CB-CB 3.91Å; Q140-C165 HydrophobicContact CG-CB 4.1Å
141K97.4Very high97.5Very high121 Ų12138.3 Ų38.353%0.52620%0.199SC..Hα-helixtrans-66.4-41.3174.1-71.1174.4-174.7174.90112.3D137 S164D137-K141 WeakPolarHBondContact O-CB 3.4Å; D137-K141 WeakPolarHBondContact O-CG 3.44Å; D137-K141 PolarHBondContact O-N 3.06Å; D137-K141 VanDerWaalsContact O-N 3.15Å; K141-S164 WeakPolarHBondContact CG-O 3.23Å
142T97.1Very high97.5Very high68 Ų6837.5 Ų37.542%0.41719%0.193SC..Hα-helixtrans-70.7-37.8-175.4-61.70000112.3N138 L139N138-T142 WeakPolarHBondContact O-CB 3.46Å; N138-T142 PolarHBondContact O-N 3.24Å; N138-T142 PolarHBondContact O-OG1 2.86Å; L139-T142 PolarHBondContact O-N 3.34Å
143F97.1Very high97.5Very high40 Ų4036.8 Ų36.818%0.17519%0.192CC..Hα-helixtrans-112.78-173.2-63.4-70.8000114.1Y42 L139 C145 A179 L180 L183Y42-F143 AromaticContact CE2-CE2 3.77Å; Y42-F143 HydrophobicContact CE2-CE2 3.77Å; Y42-F143 AromaticContact CZ-CE2 3.96Å; L139-F143 HydrophobicContact CD1-CD2 3.51Å; L139-F143 HydrophobicContact CD1-CE2 3.7Å; L139-F143 HydrophobicContact CG-CD2 4.26Å; L139-F143 WeakPolarHBondContact O-CD2 3.19Å; L139-F143 PolarHBondContact O-N 2.98Å; F143-C145 PolarHBondContact O-N 2.94Å; F143-A179 HydrophobicContact CB-CB 4.11Å; F143-L180 HydrophobicContact CE2-CD2 4.19Å; F143-L183 HydrophobicContact CE1-CD1 4.13Å; F143-L183 HydrophobicContact CE1-CD2 3.61Å; F143-L183 HydrophobicContact CE1-CG 4.35Å; F143-L183 HydrophobicContact CZ-CD2 3.57Å
144H97.7Very high97.4Very high109 Ų10934.7 Ų34.751%0.50518%0.182SC..THydrogen-bonded Turntrans49.348.4179.8-57-68.4000112Q140 Y172Q140-H144 VanDerWaalsContact O-CA 3.27Å; Q140-H144 WeakPolarHBondContact O-CA 3.41Å; Q140-H144 PolarHBondContact O-N 2.82Å; H144-Y172 VanDerWaalsContact C-CD2 3.43Å; H144-Y172 HydrophobicContact CB-CD1 3.83Å; H144-Y172 HydrophobicContact CB-CD2 4.43Å; H144-Y172 HydrophobicContact CB-CE1 3.62Å; H144-Y172 HydrophobicContact CB-CE2 4.28Å; H144-Y172 HydrophobicContact CB-CG 4.25Å; H144-Y172 AromaticContact CG-CE1 3.98Å; H144-Y172 AromaticContact ND1-CE1 3.61Å; H144-Y172 AromaticContact ND1-CZ 3.35Å; H144-Y172 VanDerWaalsContact ND1-CZ 3.35Å; H144-Y172 PolarHBondContact ND1-OH 3.01Å; H144-Y172 VanDerWaalsContact O-CB 3.27Å; H144-Y172 WeakPolarHBondContact O-CB 3.13Å; H144-Y172 VanDerWaalsContact O-CG 3.25Å
145C98.2Very high97.2Very high0 Ų033 Ų330%018%0.18CC..  trans-121.5159.3-179.165.70000110.6Q140 F143 C165 L174 C176 A179Q140-C145 WeakPolarHBondContact CA-O 3.32Å; Q140-C145 WeakPolarHBondContact CB-O 3.4Å; Q140-C145 VanDerWaalsContact CG-O 3.3Å; Q140-C145 WeakPolarHBondContact CG-O 3.45Å; Q140-C145 PolarHBondContact O-N 2.65Å; F143-C145 PolarHBondContact O-N 2.94Å; C145-C165 WeakPolarHBondContact O-CB 3.08Å; C145-L174 CarbonylContact C-O 3.45Å; C145-L174 WeakPolarHBondContact CA-O 3.32Å; C145-L174 WeakPolarHBondContact CB-O 3.47Å; C145-C176 HydrophobicContact CB-CB 3.91Å; C145-C176 WeakPolarHBondContact CB-SG 3.2Å; C145-C176 WeakPolarHBondContact SG-CA 3.2Å; C145-C176 WeakPolarHBondContact SG-CB 3.46Å; C145-C176 CovalentContact SG-SG 2.05Å; C145-C176 PolarHBondContact SG-SG 3.15Å; C145-A179 HydrophobicContact CB-CB 3.89Å
146C98.2Very high97.1Very high0 Ų039.3 Ų39.30%021%0.209CC..  trans-137.2132.2175-1660000112S150 S151 C165 L174C146-S150 CarbonylContact O-C 3.54Å; C146-S150 VanDerWaalsContact O-CA 3.29Å; C146-S150 WeakPolarHBondContact O-CA 3.16Å; C146-S151 PolarHBondContact O-N 2.77Å; C146-C165 HydrophobicContact CB-CB 3.36Å; C146-C165 WeakPolarHBondContact CB-SG 3.42Å; C146-C165 WeakPolarHBondContact SG-CB 3.31Å; C146-C165 CovalentContact SG-SG 2.04Å; C146-C165 PolarHBondContact SG-SG 2.84Å; C146-L174 PolarHBondContact N-O 2.77Å
147G97.5Very high96.8Very high0 Ų042 Ų420%023%0.226CC..SBendtrans67.6-169-177.600000112.7C176G147-C176 WeakPolarHBondContact O-CB 3.22Å; G147-C176 PolarHBondContact O-N 2.92Å; G147-C176 VanDerWaalsContact O-N 3.1Å; G147-C176 PolarHBondContact O-SG 2.95Å
148A97.2Very high96.7Very high0 Ų049.9 Ų49.90%026%0.258CS..SBendtrans-78.1-52.2174.100000110.3L119 N120 D153 G175 C176 A177L119-A148 HydrophobicContact CB-CB 3.67Å; N120-A148 HydrophobicContact CB-CB 4.25Å; N120-A148 WeakPolarHBondContact OD1-CB 3.37Å; A148-D153 WeakPolarHBondContact CA-OD2 3.05Å; A148-D153 WeakPolarHBondContact CB-OD2 3.27Å; A148-D153 PolarHBondContact N-OD2 3.27Å; A148-G175 CarbonylContact O-C 3.06Å; A148-C176 PolarHBondContact O-N 3.13Å; A148-C176 VanDerWaalsContact O-N 3.11Å; A148-A177 VanDerWaalsContact O-CB 3.29Å; A148-A177 WeakPolarHBondContact O-CB 3.35Å; A148-A177 PolarHBondContact O-N 3.33Å
149N97.2Very high96.5Very high58 Ų5848.5 Ų48.531%0.3125%0.249SC..SBendtrans-105.7-42179.5-73.2-48.8000112.4H116 N120 D153 G175H116-N149 PolarHBondContact CD2-OD1 2.64Å; H116-N149 VanDerWaalsContact NE2-CG 3.29Å; H116-N149 PolarHBondContact NE2-ND2 2.99Å; H116-N149 PolarHBondContact NE2-OD1 3.24Å; N120-N149 PolarHBondContact ND2-ND2 2.82Å; N120-N149 PolarHBondContact OD1-ND2 2.72Å; N149-D153 PolarHBondContact N-OD2 3.45Å; N149-G175 VanDerWaalsContact C-CA 3.48Å; N149-G175 WeakPolarHBondContact O-CA 3.4Å; N149-G175 PolarHBondContact O-N 3.43Å
150S97Very high96.4Very high34 Ų3455 Ų5524%0.23828%0.283CS..  trans-163.1173.9176.680.50000110.9C146 S152 D153C146-S150 CarbonylContact O-C 3.54Å; C146-S150 VanDerWaalsContact O-CA 3.29Å; C146-S150 WeakPolarHBondContact O-CA 3.16Å; S150-S152 PolarHBondContact O-N 3.44Å; S150-S152 VanDerWaalsContact O-N 3.1Å; S150-S152 WeakPolarHBondContact OG-CB 3.44Å; S150-S152 PolarHBondContact OG-N 3.09Å; S150-S152 VanDerWaalsContact OG-N 3.12Å; S150-S152 PolarHBondContact OG-OG 2.77Å; S150-D153 PolarHBondContact N-OD2 2.82Å; S150-D153 WeakPolarHBondContact O-CB 3.36Å; S150-D153 PolarHBondContact O-N 3.35Å; S150-D153 VanDerWaalsContact O-N 3.11Å
151S96.1Very high96.3Very high25 Ų2558 Ų5818%0.17530%0.299CS..THydrogen-bonded Turntrans-59.8-20173.360.90000114C146 D153 Y154C146-S151 PolarHBondContact O-N 2.77Å; S151-D153 PolarHBondContact O-N 3.49Å; S151-Y154 PolarHBondContact O-N 3.43Å
152S96.2Very high96.2Very high38 Ų3852.3 Ų52.327%0.26628%0.275SS..Hα-helixtrans-66-22.7177.576.30000112.3S150 Y154 S155 H156S150-S152 PolarHBondContact O-N 3.44Å; S150-S152 VanDerWaalsContact O-N 3.1Å; S150-S152 WeakPolarHBondContact OG-CB 3.44Å; S150-S152 PolarHBondContact OG-N 3.09Å; S150-S152 VanDerWaalsContact OG-N 3.12Å; S150-S152 PolarHBondContact OG-OG 2.77Å; S152-Y154 PolarHBondContact O-N 3.2Å; S152-S155 WeakPolarHBondContact CA-OG 3.46Å; S152-S155 CarbonylContact O-C 3.51Å; S152-S155 WeakPolarHBondContact O-CA 3.27Å; S152-S155 PolarHBondContact O-N 3.4Å; S152-S155 PolarHBondContact O-OG 2.85Å; S152-H156 VanDerWaalsContact C-CD2 3.41Å; S152-H156 PolarHBondContact O-CD2 3.2Å; S152-H156 PolarHBondContact O-N 3.28Å; S152-H156 PolarHBondContact OG-CD2 2.97Å; S152-H156 PolarHBondContact OG-NE2 3.2Å
153D97Very high96.2Very high19 Ų1954.8 Ų54.810%0.10229%0.29CS..Hα-helixtrans-54.5-39.4179.7-64.1-20.3000112V123 A148 N149 S150 S151V123-D153 HydrophobicContact CG1-CB 4.21Å; V123-D153 HydrophobicContact CG2-CB 4.32Å; A148-D153 WeakPolarHBondContact CA-OD2 3.05Å; A148-D153 WeakPolarHBondContact CB-OD2 3.27Å; A148-D153 PolarHBondContact N-OD2 3.27Å; N149-D153 PolarHBondContact N-OD2 3.45Å; S150-D153 PolarHBondContact N-OD2 2.82Å; S150-D153 WeakPolarHBondContact O-CB 3.36Å; S150-D153 PolarHBondContact O-N 3.35Å; S150-D153 VanDerWaalsContact O-N 3.11Å; S151-D153 PolarHBondContact O-N 3.49Å
154Y96.7Very high96.2Very high0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-65.5-46.8174.4-67.5-72.9000111.7V123 Y126 Q140 S151 S152 H156 V157 K158 Q159 P162V123-Y154 HydrophobicContact CG2-CD1 3.88Å; V123-Y154 HydrophobicContact CG2-CD2 4.43Å; V123-Y154 HydrophobicContact CG2-CE1 3.4Å; V123-Y154 HydrophobicContact CG2-CE2 4.01Å; V123-Y154 HydrophobicContact CG2-CG 4.37Å; V123-Y154 VanDerWaalsContact CG2-CZ 3.47Å; Y126-Y154 HydrophobicContact CD1-CE1 4.01Å; Y126-Y154 HydrophobicContact CD2-CE1 4.12Å; Y126-Y154 AromaticContact CG-CE1 3.71Å; Y126-Y154 HydrophobicContact CG-CE1 3.71Å; Q140-Y154 PolarHBondContact OE1-OH 2.91Å; S151-Y154 PolarHBondContact O-N 3.43Å; S152-Y154 PolarHBondContact O-N 3.2Å; Y154-H156 VanDerWaalsContact C-N 3.3Å; Y154-H156 PolarHBondContact O-N 3.1Å; Y154-V157 CarbonylContact O-C 3.52Å; Y154-V157 VanDerWaalsContact O-CG2 3.32Å; Y154-V157 WeakPolarHBondContact O-CG2 3.45Å; Y154-V157 PolarHBondContact O-N 3.35Å; Y154-K158 PolarHBondContact O-N 2.87Å; Y154-Q159 CarbonylContact C-O 3.59Å; Y154-Q159 HydrophobicContact CD1-CB 4.34Å; Y154-Q159 WeakPolarHBondContact O-CB 3.32Å; Y154-Q159 PolarHBondContact O-N 2.93Å; Y154-P162 HydrophobicContact CD1-CG 4.3Å; Y154-P162 HydrophobicContact CE1-CG 3.69Å; Y154-P162 VanDerWaalsContact CE2-CD 3.43Å; Y154-P162 HydrophobicContact CE2-CG 3.95Å; Y154-P162 VanDerWaalsContact CZ-CD 3.49Å; Y154-P162 VanDerWaalsContact CZ-CG 3.49Å
155S93.9Very high96.1Very high67 Ų6747.8 Ų47.847%0.46926%0.258SS..Hα-helixtrans-64.4-34-179.969.40000112.7S152 V157 K158S152-S155 WeakPolarHBondContact CA-OG 3.46Å; S152-S155 CarbonylContact O-C 3.51Å; S152-S155 WeakPolarHBondContact O-CA 3.27Å; S152-S155 PolarHBondContact O-N 3.4Å; S152-S155 PolarHBondContact O-OG 2.85Å; S155-V157 PolarHBondContact O-N 3.36Å; S155-K158 PolarHBondContact O-N 3.36Å
156H94.2Very high96Very high141 Ų14150.1 Ų50.165%0.65327%0.27SS*.Hα-helixtrans-62.3-30.8177-71.3-52.1000112.5S152 Y154S152-H156 VanDerWaalsContact C-CD2 3.41Å; S152-H156 PolarHBondContact O-CD2 3.2Å; S152-H156 PolarHBondContact O-N 3.28Å; S152-H156 PolarHBondContact OG-CD2 2.97Å; S152-H156 PolarHBondContact OG-NE2 3.2Å; Y154-H156 VanDerWaalsContact C-N 3.3Å; Y154-H156 PolarHBondContact O-N 3.1Å
157V93Very high95.7Very high56 Ų5653.9 Ų53.934%0.33930%0.297SS..THydrogen-bonded Turntrans-100.519173.6-62.60000113.2Q124 Y154 S155 Q159Q124-V157 HydrophobicContact CG-CG1 4.11Å; Y154-V157 CarbonylContact O-C 3.52Å; Y154-V157 VanDerWaalsContact O-CG2 3.32Å; Y154-V157 WeakPolarHBondContact O-CG2 3.45Å; Y154-V157 PolarHBondContact O-N 3.35Å; S155-V157 PolarHBondContact O-N 3.36Å; V157-Q159 HydrophobicContact CG2-CB 4.08Å; V157-Q159 HydrophobicContact CG2-CG 3.76Å; V157-Q159 PolarHBondContact O-N 3.33Å
158K94.6Very high95.5Very high203 Ų20357.2 Ų57.288%0.88333%0.331SS*.THydrogen-bonded Turntrans56.534.5178.8-55.3179.4-179.41790113.5Y154 S155Y154-K158 PolarHBondContact O-N 2.87Å; S155-K158 PolarHBondContact O-N 3.36Å
159Q94Very high95.1Very high39 Ų3964.9 Ų64.918%0.18237%0.37CS..PPolyproline II helixtrans-103.4150.3177.2-71.4177.84.100111V123 Q124 Y154 V157V123-Q159 PolarHBondContact O-OE1 3.12Å; Q124-Q159 PolarHBondContact O-NE2 3.05Å; Y154-Q159 CarbonylContact C-O 3.59Å; Y154-Q159 HydrophobicContact CD1-CB 4.34Å; Y154-Q159 WeakPolarHBondContact O-CB 3.32Å; Y154-Q159 PolarHBondContact O-N 2.93Å; V157-Q159 HydrophobicContact CG2-CB 4.08Å; V157-Q159 HydrophobicContact CG2-CG 3.76Å; V157-Q159 PolarHBondContact O-N 3.33Å
160L95Very high95.1Very high136 Ų13669.5 Ų69.571%0.71239%0.387SS*.PPolyproline II helixtrans-68.9142.2171.5-69.3166.4000109.9W127 P162W127-L160 HydrophobicContact CZ2-CB 4.08Å; W127-L160 PolarHBondContact NE1-O 3.26Å; L160-P162 WeakPolarHBondContact O-CD 3.11Å
161I96.1Very high95Very high65 Ų6570.2 Ų70.233%0.33339%0.391SS..PPolyproline II helixtrans-68126.4172.5-61.7173.4000108.3C165 L166 P171I161-C165 WeakPolarHBondContact CG2-SG 3.17Å; I161-L166 HydrophobicContact CG2-CD2 3.8Å; I161-P171 HydrophobicContact CG2-CB 4.33Å
162P96.7Very high95.1Very high1 Ų171.1 Ų71.11%0.00639%0.391CS..PPolyproline II helixtrans-63.7143179.1-28.139.2000113.6Y126 Y154 L160 S164 C165Y126-P162 HydrophobicContact CD1-CG 4Å; Y126-P162 HydrophobicContact CD2-CG 4.31Å; Y126-P162 HydrophobicContact CE1-CB 4.08Å; Y126-P162 HydrophobicContact CE1-CG 3.45Å; Y126-P162 VanDerWaalsContact CE1-CG 3.45Å; Y126-P162 HydrophobicContact CE2-CB 4.23Å; Y126-P162 HydrophobicContact CE2-CG 3.75Å; Y126-P162 HydrophobicContact CG-CG 4.42Å; Y126-P162 WeakPolarHBondContact OH-CB 3.47Å; Y154-P162 HydrophobicContact CD1-CG 4.3Å; Y154-P162 HydrophobicContact CE1-CG 3.69Å; Y154-P162 VanDerWaalsContact CE2-CD 3.43Å; Y154-P162 HydrophobicContact CE2-CG 3.95Å; Y154-P162 VanDerWaalsContact CZ-CD 3.49Å; Y154-P162 VanDerWaalsContact CZ-CG 3.49Å; L160-P162 WeakPolarHBondContact O-CD 3.11Å; P162-S164 WeakPolarHBondContact CB-OG 3.38Å; P162-S164 PolarHBondContact O-N 3.36Å; P162-C165 PolarHBondContact O-N 3.49Å; P162-C165 VanDerWaalsContact O-N 3.17Å
163T96.1Very high95Very high120 Ų12075 Ų7574%0.73642%0.419SS*.G310 helixtrans-63.2-22.7173.254.40000112.9C165 L166T163-C165 PolarHBondContact O-N 3.45Å; T163-L166 HydrophobicContact CG2-CD1 4.49Å; T163-L166 PolarHBondContact O-N 3.22Å
164S96.7Very high95Very high2 Ų277.1 Ų77.11%0.01443%0.429CS..G310 helixtrans-66.3-20176.557.80000114.4D137 Q140 K141 P162D137-S164 WeakPolarHBondContact OD1-CB 3.06Å; D137-S164 PolarHBondContact OD1-OG 3Å; Q140-S164 PolarHBondContact NE2-OG 2.91Å; K141-S164 WeakPolarHBondContact CG-O 3.23Å; P162-S164 WeakPolarHBondContact CB-OG 3.38Å; P162-S164 PolarHBondContact O-N 3.36Å
165C96.4Very high95.1Very high0 Ų077.1 Ų77.10%043%0.43CS..G310 helixtrans-108.315.217888.80000113.6Q140 C145 C146 I161 P162 T163 P171 Y172Q140-C165 HydrophobicContact CB-CB 3.91Å; Q140-C165 HydrophobicContact CG-CB 4.1Å; C145-C165 WeakPolarHBondContact O-CB 3.08Å; C146-C165 HydrophobicContact CB-CB 3.36Å; C146-C165 WeakPolarHBondContact CB-SG 3.42Å; C146-C165 WeakPolarHBondContact SG-CB 3.31Å; C146-C165 CovalentContact SG-SG 2.04Å; C146-C165 PolarHBondContact SG-SG 2.84Å; I161-C165 WeakPolarHBondContact CG2-SG 3.17Å; P162-C165 PolarHBondContact O-N 3.49Å; P162-C165 VanDerWaalsContact O-N 3.17Å; T163-C165 PolarHBondContact O-N 3.45Å; C165-P171 WeakPolarHBondContact O-CA 3.29Å; C165-Y172 VanDerWaalsContact C-CD2 3.43Å; C165-Y172 HydrophobicContact CB-CD2 4.19Å; C165-Y172 WeakPolarHBondContact O-CD2 3.19Å; C165-Y172 PolarHBondContact O-N 3.49Å
166L96.3Very high95.3Very high48 Ų4874 Ų7425%0.25141%0.407SS..EExtended strand (participates in β ladder)trans-100.5137.4177.6-55.9180000111.4I161 T163 K170 P171I161-L166 HydrophobicContact CG2-CD2 3.8Å; T163-L166 HydrophobicContact CG2-CD1 4.49Å; T163-L166 PolarHBondContact O-N 3.22Å; L166-K170 CarbonylContact C-O 3.47Å; L166-K170 WeakPolarHBondContact CA-O 3.1Å; L166-P171 HydrophobicContact CD2-CB 3.92Å
167S93Very high95.4Very high80 Ų8067.3 Ų67.356%0.55938%0.377SS*.EExtended strand (participates in β ladder)trans-101.794.8163.61790000108.5I169 K170S167-I169 PolarHBondContact O-N 2.99Å; S167-K170 PolarHBondContact N-O 2.84Å; S167-K170 PolarHBondContact O-N 3.04Å
168G91.8Very high95.5Very high70 Ų7067.6 Ų67.672%0.72238%0.376SS*.THydrogen-bonded Turntrans67.8-114.3-165.300000109.9
169I90Very high95.7Very high160 Ų16058.3 Ų58.382%0.82134%0.338SS*.THydrogen-bonded Turntrans-100.4-7.2177.462.6171.5000113.8S167S167-I169 PolarHBondContact O-N 2.99Å
170K95.7Very high95.8Very high155 Ų15556.5 Ų56.567%0.67433%0.329SS*.EExtended strand (participates in β ladder)trans-101131.4-174.6-66.1-174.3179.8-178.30110.4L166 S167L166-K170 CarbonylContact C-O 3.47Å; L166-K170 WeakPolarHBondContact CA-O 3.1Å; S167-K170 PolarHBondContact N-O 2.84Å; S167-K170 PolarHBondContact O-N 3.04Å
171P96.7Very high95.8Very high49 Ų4952 Ų5232%0.31831%0.306SS..EExtended strand (participates in β ladder)trans-67.4150.9173.328-33000111.5I161 C165 L166I161-P171 HydrophobicContact CG2-CB 4.33Å; C165-P171 WeakPolarHBondContact O-CA 3.29Å; L166-P171 HydrophobicContact CD2-CB 3.92Å
172Y96.8Very high95.8Very high45 Ų4554 Ų5418%0.17632%0.316CS..PPolyproline II helixtrans-60.5136.9168.2-62.2-61.8000110.5H144 C165H144-Y172 VanDerWaalsContact C-CD2 3.43Å; H144-Y172 HydrophobicContact CB-CD1 3.83Å; H144-Y172 HydrophobicContact CB-CD2 4.43Å; H144-Y172 HydrophobicContact CB-CE1 3.62Å; H144-Y172 HydrophobicContact CB-CE2 4.28Å; H144-Y172 HydrophobicContact CB-CG 4.25Å; H144-Y172 AromaticContact CG-CE1 3.98Å; H144-Y172 AromaticContact ND1-CE1 3.61Å; H144-Y172 AromaticContact ND1-CZ 3.35Å; H144-Y172 VanDerWaalsContact ND1-CZ 3.35Å; H144-Y172 PolarHBondContact ND1-OH 3.01Å; H144-Y172 VanDerWaalsContact O-CB 3.27Å; H144-Y172 WeakPolarHBondContact O-CB 3.13Å; H144-Y172 VanDerWaalsContact O-CG 3.25Å; C165-Y172 VanDerWaalsContact C-CD2 3.43Å; C165-Y172 HydrophobicContact CB-CD2 4.19Å; C165-Y172 WeakPolarHBondContact O-CD2 3.19Å; C165-Y172 PolarHBondContact O-N 3.49Å
173S94.6Very high95.7Very high120 Ų12055.2 Ų55.284%0.83932%0.323SS*.SBendtrans-79.7-20179.557.70000113.5
174L97.2Very high95.7Very high62 Ų6249.6 Ų49.633%0.32529%0.288SS..SBendtrans-84129.6-178-175.165000110.7C145 C146 D178 A179C145-L174 CarbonylContact C-O 3.45Å; C145-L174 WeakPolarHBondContact CA-O 3.32Å; C145-L174 WeakPolarHBondContact CB-O 3.47Å; C146-L174 PolarHBondContact N-O 2.77Å; L174-D178 HydrophobicContact CD1-CB 3.88Å; L174-A179 HydrophobicContact CD2-CB 3.72Å; L174-A179 HydrophobicContact CG-CB 4.17Å
175G97.6Very high95.6Very high1 Ų153.2 Ų53.21%0.0131%0.305CS..  trans-71.9148.1170.800000112.6A148 N149 A177 D178 A179A148-G175 CarbonylContact O-C 3.06Å; N149-G175 VanDerWaalsContact C-CA 3.48Å; N149-G175 WeakPolarHBondContact O-CA 3.4Å; N149-G175 PolarHBondContact O-N 3.43Å; G175-A177 VanDerWaalsContact C-N 3.29Å; G175-A177 PolarHBondContact O-N 3.45Å; G175-D178 PolarHBondContact O-N 3.02Å; G175-A179 PolarHBondContact O-N 3.08Å
176C98Very high95.6Very high0 Ų060 Ų600%033%0.331CS..Hα-helixtrans-69.9-24.8-179.2-65.50000113.8L119 L139 C145 G147 A148 L180L119-C176 HydrophobicContact CD1-CB 4.21Å; L139-C176 HydrophobicContact CD2-CB 3.74Å; L139-C176 HydrophobicContact CG-CB 4.42Å; C145-C176 HydrophobicContact CB-CB 3.91Å; C145-C176 WeakPolarHBondContact CB-SG 3.2Å; C145-C176 WeakPolarHBondContact SG-CA 3.2Å; C145-C176 WeakPolarHBondContact SG-CB 3.46Å; C145-C176 CovalentContact SG-SG 2.05Å; C145-C176 PolarHBondContact SG-SG 3.15Å; G147-C176 WeakPolarHBondContact O-CB 3.22Å; G147-C176 PolarHBondContact O-N 2.92Å; G147-C176 VanDerWaalsContact O-N 3.1Å; G147-C176 PolarHBondContact O-SG 2.95Å; A148-C176 PolarHBondContact O-N 3.13Å; A148-C176 VanDerWaalsContact O-N 3.11Å; C176-L180 WeakPolarHBondContact O-CB 3.32Å; C176-L180 VanDerWaalsContact O-CG 3.31Å; C176-L180 WeakPolarHBondContact O-CG 3.48Å; C176-L180 PolarHBondContact O-N 3.48Å; C176-L180 VanDerWaalsContact O-N 3.08Å
177A97.1Very high95.7Very high1 Ų158.6 Ų58.61%0.00832%0.323CS..Hα-helixtrans-63.1-45.3172.200000111.1F112 H116 L119 A148 G175 L180 N181F112-A177 HydrophobicContact CE2-CB 4.24Å; H116-A177 HydrophobicContact CB-CB 4.03Å; L119-A177 HydrophobicContact CD1-CB 4.09Å; A148-A177 VanDerWaalsContact O-CB 3.29Å; A148-A177 WeakPolarHBondContact O-CB 3.35Å; A148-A177 PolarHBondContact O-N 3.33Å; G175-A177 VanDerWaalsContact C-N 3.29Å; G175-A177 PolarHBondContact O-N 3.45Å; A177-L180 PolarHBondContact O-N 3Å; A177-N181 PolarHBondContact O-N 3.28Å
178D96.2Very high95.8Very high62 Ų6255.2 Ų55.233%0.33230%0.298SS..Hα-helixtrans-70-41.9178.4-70.8-29.4000112.1L174 G175 L180 N181 I182L174-D178 HydrophobicContact CD1-CB 3.88Å; G175-D178 PolarHBondContact O-N 3.02Å; D178-L180 VanDerWaalsContact C-N 3.27Å; D178-L180 PolarHBondContact O-N 3.24Å; D178-N181 WeakPolarHBondContact O-CB 3.36Å; D178-N181 PolarHBondContact O-N 3.24Å; D178-N181 VanDerWaalsContact O-N 3.13Å; D178-I182 WeakPolarHBondContact O-CG1 3.44Å; D178-I182 PolarHBondContact O-N 2.99Å
179A97.1Very high96.1Very high9 Ų954.9 Ų54.97%0.07428%0.282CS..Hα-helixtrans-56.9-42.9175.700000111.8F143 C145 L174 G175 L183F143-A179 HydrophobicContact CB-CB 4.11Å; C145-A179 HydrophobicContact CB-CB 3.89Å; L174-A179 HydrophobicContact CD2-CB 3.72Å; L174-A179 HydrophobicContact CG-CB 4.17Å; G175-A179 PolarHBondContact O-N 3.08Å; A179-L183 PolarHBondContact O-N 2.67Å; A179-L183 VanDerWaalsContact O-N 3.12Å
180L96.7Very high96.4Very high1 Ų149.2 Ų49.21%0.00525%0.253CS..Hα-helixtrans-70.6-37.9175.7-72.7173.1000112.6L39 L46 L119 L139 F143 C176 A177 D178 I182 L183 V184L39-L180 HydrophobicContact CD2-CD2 3.81Å; L46-L180 HydrophobicContact CD1-CD1 3.78Å; L46-L180 HydrophobicContact CD2-CD1 3.22Å; L46-L180 HydrophobicContact CG-CD1 4.06Å; L119-L180 HydrophobicContact CD1-CD1 4.18Å; L139-L180 HydrophobicContact CD1-CD1 4.14Å; L139-L180 HydrophobicContact CD1-CD2 4Å; L139-L180 HydrophobicContact CD1-CG 4.27Å; L139-L180 HydrophobicContact CD2-CD1 4.34Å; F143-L180 HydrophobicContact CE2-CD2 4.19Å; C176-L180 WeakPolarHBondContact O-CB 3.32Å; C176-L180 VanDerWaalsContact O-CG 3.31Å; C176-L180 WeakPolarHBondContact O-CG 3.48Å; C176-L180 PolarHBondContact O-N 3.48Å; C176-L180 VanDerWaalsContact O-N 3.08Å; A177-L180 PolarHBondContact O-N 3Å; D178-L180 VanDerWaalsContact C-N 3.27Å; D178-L180 PolarHBondContact O-N 3.24Å; L180-I182 PolarHBondContact O-N 3.24Å; L180-L183 HydrophobicContact CD2-CD2 4.24Å; L180-L183 WeakPolarHBondContact O-CB 3.22Å; L180-L183 PolarHBondContact O-N 3.24Å; L180-V184 WeakPolarHBondContact O-CB 3.32Å; L180-V184 WeakPolarHBondContact O-CG2 3.3Å; L180-V184 PolarHBondContact O-N 3.41Å
181N94.6Very high96.5Very high40 Ų4041.9 Ų41.921%0.21422%0.221CC..Hα-helixtrans-58.7-48.1174.3-17333.9000111F112 A177 D178 L183 V184 Q185F112-N181 HydrophobicContact CD2-CB 3.6Å; F112-N181 HydrophobicContact CE2-CB 3.88Å; F112-N181 HydrophobicContact CG-CB 4.43Å; A177-N181 PolarHBondContact O-N 3.28Å; D178-N181 WeakPolarHBondContact O-CB 3.36Å; D178-N181 PolarHBondContact O-N 3.24Å; D178-N181 VanDerWaalsContact O-N 3.13Å; N181-L183 VanDerWaalsContact C-N 3.3Å; N181-L183 PolarHBondContact O-N 3.32Å; N181-V184 PolarHBondContact O-N 3.02Å; N181-Q185 WeakPolarHBondContact O-CB 3.21Å; N181-Q185 VanDerWaalsContact O-CG 3.25Å; N181-Q185 WeakPolarHBondContact O-CG 3.23Å; N181-Q185 PolarHBondContact O-N 3.25Å; N181-Q185 PolarHBondContact OD1-NE2 2.97Å
182I95.5Very high96.5Very high109 Ų10940.2 Ų40.256%0.55921%0.209SC*.Hα-helixtrans-56.8-46.1176.5-67.2165.1000110.6D178 L180 Y186D178-I182 WeakPolarHBondContact O-CG1 3.44Å; D178-I182 PolarHBondContact O-N 2.99Å; L180-I182 PolarHBondContact O-N 3.24Å; I182-Y186 WeakPolarHBondContact O-CB 3.34Å; I182-Y186 PolarHBondContact O-N 2.94Å
183L95.8Very high96.6Very high26 Ų2645.5 Ų45.514%0.13623%0.23CC..Hα-helixtrans-60.4-49.4177-179.172.8000112.1L35 F143 A179 L180 N181 Y186 Y187L35-L183 HydrophobicContact CD1-CD2 3.8Å; L35-L183 HydrophobicContact CD1-CG 3.82Å; F143-L183 HydrophobicContact CE1-CD1 4.13Å; F143-L183 HydrophobicContact CE1-CD2 3.61Å; F143-L183 HydrophobicContact CE1-CG 4.35Å; F143-L183 HydrophobicContact CZ-CD2 3.57Å; A179-L183 PolarHBondContact O-N 2.67Å; A179-L183 VanDerWaalsContact O-N 3.12Å; L180-L183 HydrophobicContact CD2-CD2 4.24Å; L180-L183 WeakPolarHBondContact O-CB 3.22Å; L180-L183 PolarHBondContact O-N 3.24Å; N181-L183 VanDerWaalsContact C-N 3.3Å; N181-L183 PolarHBondContact O-N 3.32Å; L183-Y186 WeakPolarHBondContact O-CB 3.39Å; L183-Y186 PolarHBondContact O-N 3.39Å; L183-Y187 HydrophobicContact CD1-CD2 4.07Å; L183-Y187 HydrophobicContact CD1-CE2 3.75Å; L183-Y187 HydrophobicContact CG-CD2 4.36Å; L183-Y187 HydrophobicContact CG-CE2 4.45Å; L183-Y187 WeakPolarHBondContact O-CD2 3.12Å; L183-Y187 PolarHBondContact O-N 2.95Å
184V95.9Very high96.7Very high2 Ų241.6 Ų41.61%0.01220%0.199CC..Hα-helixtrans-64.4-44.1-178.3172.60000110.7L35 L39 P51 F54 F111 L180 N181 Y186 Y187 K188L35-V184 HydrophobicContact CD1-CG2 4.27Å; L35-V184 HydrophobicContact CD2-CB 4.05Å; L35-V184 HydrophobicContact CD2-CG1 3.97Å; L35-V184 HydrophobicContact CD2-CG2 3.73Å; L39-V184 HydrophobicContact CD1-CG2 4.17Å; P51-V184 HydrophobicContact CG-CG1 3.71Å; F54-V184 HydrophobicContact CE2-CG1 4.35Å; F111-V184 HydrophobicContact CD1-CB 4.3Å; F111-V184 HydrophobicContact CD1-CG1 4.18Å; F111-V184 HydrophobicContact CD1-CG2 3.83Å; F111-V184 HydrophobicContact CE1-CB 4.17Å; F111-V184 HydrophobicContact CE1-CG1 4.48Å; F111-V184 HydrophobicContact CE1-CG2 3.28Å; F111-V184 HydrophobicContact CZ-CG2 3.71Å; L180-V184 WeakPolarHBondContact O-CB 3.32Å; L180-V184 WeakPolarHBondContact O-CG2 3.3Å; L180-V184 PolarHBondContact O-N 3.41Å; N181-V184 PolarHBondContact O-N 3.02Å; V184-Y186 VanDerWaalsContact C-N 3.33Å; V184-Y186 PolarHBondContact O-N 3.26Å; V184-Y187 PolarHBondContact O-N 2.94Å; V184-K188 WeakPolarHBondContact O-CB 3.41Å; V184-K188 PolarHBondContact O-N 3.49Å
185Q95.4Very high96.6Very high77 Ų7738.6 Ų38.636%0.3618%0.184SC..Hα-helixtrans-59.9-44.5176.6-68.7-56.7-25.400111.2N181 Y187 K188 T189N181-Q185 WeakPolarHBondContact O-CB 3.21Å; N181-Q185 VanDerWaalsContact O-CG 3.25Å; N181-Q185 WeakPolarHBondContact O-CG 3.23Å; N181-Q185 PolarHBondContact O-N 3.25Å; N181-Q185 PolarHBondContact OD1-NE2 2.97Å; Q185-Y187 PolarHBondContact O-N 2.87Å; Q185-K188 PolarHBondContact O-N 2.93Å; Q185-T189 WeakPolarHBondContact O-CB 3.43Å; Q185-T189 PolarHBondContact O-N 3.1Å; Q185-T189 PolarHBondContact O-OG1 3.28Å
186Y96.5Very high96.5Very high142 Ų14241.8 Ų41.856%0.55720%0.198SC*.Hα-helixtrans-55.2-50.9177.1173.2-98000112.5I182 L183 V184 T189 I190I182-Y186 WeakPolarHBondContact O-CB 3.34Å; I182-Y186 PolarHBondContact O-N 2.94Å; L183-Y186 WeakPolarHBondContact O-CB 3.39Å; L183-Y186 PolarHBondContact O-N 3.39Å; V184-Y186 VanDerWaalsContact C-N 3.33Å; V184-Y186 PolarHBondContact O-N 3.26Å; Y186-T189 PolarHBondContact O-N 3.3Å; Y186-I190 HydrophobicContact CD1-CD1 4.1Å; Y186-I190 HydrophobicContact CD2-CD1 4.49Å; Y186-I190 HydrophobicContact CE1-CD1 3.52Å; Y186-I190 HydrophobicContact CE2-CD1 3.98Å; Y186-I190 VanDerWaalsContact CZ-CD1 3.46Å; Y186-I190 WeakPolarHBondContact O-CG1 3.3Å; Y186-I190 PolarHBondContact O-N 2.87Å
187Y97.3Very high96.4Very high20 Ų2044.1 Ų44.18%0.07821%0.214CC..Hα-helixtrans-69-38.8179-83.5-85.6000112.8K34 L35 L183 V184 Q185 I190 L191K34-Y187 HydrophobicContact CB-CE1 4.12Å; K34-Y187 HydrophobicContact CD-CE1 3.74Å; K34-Y187 VanDerWaalsContact CE-OH 3.28Å; K34-Y187 WeakPolarHBondContact CE-OH 3.26Å; K34-Y187 HydrophobicContact CG-CE1 3.71Å; L35-Y187 HydrophobicContact CB-CD1 4.4Å; L35-Y187 HydrophobicContact CB-CD2 4.4Å; L35-Y187 HydrophobicContact CB-CG 4.04Å; L35-Y187 HydrophobicContact CD1-CD2 3.94Å; L35-Y187 HydrophobicContact CD1-CG 4.37Å; L183-Y187 HydrophobicContact CD1-CD2 4.07Å; L183-Y187 HydrophobicContact CD1-CE2 3.75Å; L183-Y187 HydrophobicContact CG-CD2 4.36Å; L183-Y187 HydrophobicContact CG-CE2 4.45Å; L183-Y187 WeakPolarHBondContact O-CD2 3.12Å; L183-Y187 PolarHBondContact O-N 2.95Å; V184-Y187 PolarHBondContact O-N 2.94Å; Q185-Y187 PolarHBondContact O-N 2.87Å; Y187-I190 PolarHBondContact O-N 2.05Å; Y187-L191 WeakPolarHBondContact O-CB 3.35Å; Y187-L191 PolarHBondContact O-N 3.32Å
188K96.3Very high96.2Very high9 Ų944.1 Ų44.14%0.03921%0.214CC..Hα-helixtrans-60.3-46.2176.1176.2178.3179.4-169.80110.8I53 F54 S104 D109 V184 Q185 L191 I192I53-K188 HydrophobicContact CD1-CG 4.45Å; I53-K188 HydrophobicContact CG2-CG 4.23Å; F54-K188 HydrophobicContact CZ-CB 4.28Å; S104-K188 WeakPolarHBondContact O-CE 3.4Å; S104-K188 PolarHBondContact O-NZ 3.28Å; D109-K188 WeakPolarHBondContact OD2-CE 3.09Å; D109-K188 IonicContact OD2-NZ 3.49Å; D109-K188 PolarHBondContact OD2-NZ 2.94Å; V184-K188 WeakPolarHBondContact O-CB 3.41Å; V184-K188 PolarHBondContact O-N 3.49Å; Q185-K188 PolarHBondContact O-N 2.93Å; K188-L191 PolarHBondContact O-N 2.91Å; K188-I192 HydrophobicContact CG-CD1 3.91Å; K188-I192 HydrophobicContact CG-CG1 4.47Å; K188-I192 VanDerWaalsContact O-CG1 3.29Å; K188-I192 WeakPolarHBondContact O-CG1 3.29Å; K188-I192 PolarHBondContact O-N 2.86Å
189T96.8Very high96.2Very high62 Ų6241.2 Ų41.238%0.3820%0.198SC..Hα-helixtrans-60.4-46.8178.8-64.20000111.7Q185 Y186 L191 I192 Y193Q185-T189 WeakPolarHBondContact O-CB 3.43Å; Q185-T189 PolarHBondContact O-N 3.1Å; Q185-T189 PolarHBondContact O-OG1 3.28Å; Y186-T189 PolarHBondContact O-N 3.3Å; T189-L191 VanDerWaalsContact C-N 3.3Å; T189-L191 PolarHBondContact O-N 3.11Å; T189-I192 PolarHBondContact O-N 3.38Å; T189-Y193 HydrophobicContact CG2-CD2 3.79Å; T189-Y193 HydrophobicContact CG2-CE2 3.44Å; T189-Y193 VanDerWaalsContact CG2-CE2 3.44Å; T189-Y193 WeakPolarHBondContact O-CD2 3.48Å; T189-Y193 PolarHBondContact O-N 3.42Å; T189-Y193 VanDerWaalsContact O-N 3.13Å
190I97.1Very high96.1Very high41 Ų4146.1 Ų46.121%0.2122%0.222CC..Hα-helixtrans-57.5-47175.9-68.5168.9000110.7F31 Y186 Y187 I192 Y193 L194F31-I190 HydrophobicContact CD1-CG2 3.82Å; F31-I190 HydrophobicContact CE1-CD1 4.49Å; F31-I190 HydrophobicContact CE1-CG2 3.79Å; F31-I190 HydrophobicContact CG-CG2 4.49Å; F31-I190 HydrophobicContact CZ-CG2 4.45Å; Y186-I190 HydrophobicContact CD1-CD1 4.1Å; Y186-I190 HydrophobicContact CD2-CD1 4.49Å; Y186-I190 HydrophobicContact CE1-CD1 3.52Å; Y186-I190 HydrophobicContact CE2-CD1 3.98Å; Y186-I190 VanDerWaalsContact CZ-CD1 3.46Å; Y186-I190 WeakPolarHBondContact O-CG1 3.3Å; Y186-I190 PolarHBondContact O-N 2.87Å; Y187-I190 PolarHBondContact O-N 2.05Å; I190-I192 PolarHBondContact O-N 3.34Å; I190-Y193 PolarHBondContact O-N 3.42Å; I190-L194 HydrophobicContact CG2-CD1 3.87Å; I190-L194 HydrophobicContact CG2-CG 4.3Å; I190-L194 WeakPolarHBondContact O-CG 3.4Å; I190-L194 PolarHBondContact O-N 3.47Å
191L97.2Very high96Very high1 Ų148.5 Ų48.51%0.00523%0.234CC..Hα-helixtrans-65.5-38.5-177.4-16556.1000112.2V28 F31 I53 F54 A57 Y187 K188 T189 Y193 L194 C195V28-L191 HydrophobicContact CG1-CD1 4.27Å; F31-L191 HydrophobicContact CB-CD1 4.25Å; I53-L191 HydrophobicContact CD1-CB 4.08Å; I53-L191 HydrophobicContact CD1-CD2 4.17Å; I53-L191 HydrophobicContact CD1-CG 4.05Å; I53-L191 HydrophobicContact CG1-CD2 3.74Å; I53-L191 HydrophobicContact CG1-CG 4.03Å; I53-L191 HydrophobicContact CG2-CD2 4.37Å; F54-L191 HydrophobicContact CD1-CD2 3.93Å; F54-L191 HydrophobicContact CE1-CD2 4.12Å; A57-L191 HydrophobicContact CB-CD1 3.79Å; A57-L191 HydrophobicContact CB-CD2 3.72Å; A57-L191 HydrophobicContact CB-CG 3.91Å; Y187-L191 WeakPolarHBondContact O-CB 3.35Å; Y187-L191 PolarHBondContact O-N 3.32Å; K188-L191 PolarHBondContact O-N 2.91Å; T189-L191 VanDerWaalsContact C-N 3.3Å; T189-L191 PolarHBondContact O-N 3.11Å; L191-Y193 PolarHBondContact O-N 2.83Å; L191-L194 PolarHBondContact O-N 2.77Å; L191-C195 WeakPolarHBondContact O-CB 3.37Å; L191-C195 PolarHBondContact O-N 3.03Å; L191-C195 PolarHBondContact O-SG 3.34Å; L191-C195 VanDerWaalsContact O-SG 3.34Å
192I97.5Very high95.9Very high14 Ų1446.6 Ų46.67%0.07222%0.224CC..Hα-helixtrans-57.7-49.1172.8-72168.5000110.7I53 A101 K188 T189 I190 C195 F196I53-I192 HydrophobicContact CD1-CD1 4.47Å; I53-I192 HydrophobicContact CD1-CG1 3.54Å; A101-I192 HydrophobicContact CB-CG2 4.35Å; K188-I192 HydrophobicContact CG-CD1 3.91Å; K188-I192 HydrophobicContact CG-CG1 4.47Å; K188-I192 VanDerWaalsContact O-CG1 3.29Å; K188-I192 WeakPolarHBondContact O-CG1 3.29Å; K188-I192 PolarHBondContact O-N 2.86Å; T189-I192 PolarHBondContact O-N 3.38Å; I190-I192 PolarHBondContact O-N 3.34Å; I192-C195 PolarHBondContact O-N 3Å; I192-F196 HydrophobicContact CG2-CD2 3.66Å; I192-F196 HydrophobicContact CG2-CE2 3.73Å; I192-F196 WeakPolarHBondContact O-CD2 3.45Å; I192-F196 PolarHBondContact O-N 3.07Å
193Y97.4Very high95.9Very high157 Ų15742.6 Ų42.662%0.61621%0.21SC*.Hα-helixtrans-64.2-42.2179.2-76-65.7000112.3T189 I190 L191 F196 S197T189-Y193 HydrophobicContact CG2-CD2 3.79Å; T189-Y193 HydrophobicContact CG2-CE2 3.44Å; T189-Y193 VanDerWaalsContact CG2-CE2 3.44Å; T189-Y193 WeakPolarHBondContact O-CD2 3.48Å; T189-Y193 PolarHBondContact O-N 3.42Å; T189-Y193 VanDerWaalsContact O-N 3.13Å; I190-Y193 PolarHBondContact O-N 3.42Å; L191-Y193 PolarHBondContact O-N 2.83Å; Y193-F196 PolarHBondContact O-N 3.42Å; Y193-S197 WeakPolarHBondContact O-CB 3.41Å; Y193-S197 PolarHBondContact O-N 3.27Å; Y193-S197 PolarHBondContact O-OG 3.33Å
194L96.7Very high95.8Very high37 Ų3745.8 Ų45.819%0.19423%0.23CC..Hα-helixtrans-58.8-52175.4-72.5173.8000111I27 F31 I190 L191 F196 S197 F198I27-L194 HydrophobicContact CG2-CD1 4.25Å; I27-L194 HydrophobicContact CG2-CD2 4.4Å; F31-L194 HydrophobicContact CB-CD1 4.23Å; F31-L194 HydrophobicContact CD2-CD1 3.87Å; F31-L194 HydrophobicContact CE2-CD1 4.4Å; F31-L194 HydrophobicContact CG-CD1 3.99Å; I190-L194 HydrophobicContact CG2-CD1 3.87Å; I190-L194 HydrophobicContact CG2-CG 4.3Å; I190-L194 WeakPolarHBondContact O-CG 3.4Å; I190-L194 PolarHBondContact O-N 3.47Å; L191-L194 PolarHBondContact O-N 2.77Å; L194-F196 PolarHBondContact O-N 3.34Å; L194-S197 PolarHBondContact O-N 3.3Å; L194-S197 PolarHBondContact O-OG 3.32Å; L194-F198 VanDerWaalsContact O-CB 3.31Å; L194-F198 WeakPolarHBondContact O-CB 3.21Å; L194-F198 PolarHBondContact O-N 3.17Å
195C96.7Very high95.7Very high0 Ų046 Ų460%023%0.231CC..Hα-helixtrans-62.2-40.6179.9-70.30000112.9E97 A101 L191 I192 G199E97-C195 HydrophobicContact CB-CB 4.34Å; A101-C195 HydrophobicContact CB-CB 3.99Å; L191-C195 WeakPolarHBondContact O-CB 3.37Å; L191-C195 PolarHBondContact O-N 3.03Å; L191-C195 PolarHBondContact O-SG 3.34Å; L191-C195 VanDerWaalsContact O-SG 3.34Å; I192-C195 PolarHBondContact O-N 3Å; C195-G199 PolarHBondContact O-N 2.88Å
196F95.7Very high95.7Very high68 Ų6842.6 Ų42.630%0.29822%0.215SC..Hα-helixtrans-64.5-48175.2-89.6-60.4000112.2A101 I192 Y193 L194 F198 G199 I200A101-F196 HydrophobicContact CB-CD1 4.29Å; A101-F196 HydrophobicContact CB-CD2 3.55Å; A101-F196 HydrophobicContact CB-CE1 4.2Å; A101-F196 HydrophobicContact CB-CE2 3.45Å; A101-F196 VanDerWaalsContact CB-CE2 3.45Å; A101-F196 HydrophobicContact CB-CG 3.97Å; A101-F196 HydrophobicContact CB-CZ 3.79Å; I192-F196 HydrophobicContact CG2-CD2 3.66Å; I192-F196 HydrophobicContact CG2-CE2 3.73Å; I192-F196 WeakPolarHBondContact O-CD2 3.45Å; I192-F196 PolarHBondContact O-N 3.07Å; Y193-F196 PolarHBondContact O-N 3.42Å; L194-F196 PolarHBondContact O-N 3.34Å; F196-F198 VanDerWaalsContact C-N 3.28Å; F196-F198 PolarHBondContact O-N 3.15Å; F196-G199 PolarHBondContact O-N 2.99Å; F196-I200 VanDerWaalsContact O-CG1 3.3Å; F196-I200 WeakPolarHBondContact O-CG1 3.34Å; F196-I200 PolarHBondContact O-N 3.12Å
197S94.8Very high95.5Very high49 Ų4941 Ų4134%0.34322%0.215SC..Hα-helixtrans-59.8-43.3179.567.40000111.1Y193 L194 I200 I201Y193-S197 WeakPolarHBondContact O-CB 3.41Å; Y193-S197 PolarHBondContact O-N 3.27Å; Y193-S197 PolarHBondContact O-OG 3.33Å; L194-S197 PolarHBondContact O-N 3.3Å; L194-S197 PolarHBondContact O-OG 3.32Å; S197-I200 PolarHBondContact O-N 2.77Å; S197-I201 VanDerWaalsContact O-CG1 3.25Å; S197-I201 WeakPolarHBondContact O-CG1 3.44Å; S197-I201 PolarHBondContact O-N 3.26Å; S197-I201 VanDerWaalsContact O-N 3.14Å
198F93.6Very high95.1Very high1 Ų144.2 Ų44.20%0.00423%0.23CC..Hα-helixtrans-70.5-42.5-178.9-168.8-146.7000112.3F21 F24 V28 S64 E97 L194 F196 I200 I201 H202F21-F198 HydrophobicContact CB-CE2 4.22Å; F21-F198 HydrophobicContact CB-CZ 4.2Å; F21-F198 HydrophobicContact CD1-CD2 4.48Å; F21-F198 AromaticContact CD1-CE2 3.57Å; F21-F198 HydrophobicContact CD1-CE2 3.57Å; F21-F198 HydrophobicContact CD1-CZ 4.34Å; F21-F198 HydrophobicContact CE1-CE2 4.21Å; F21-F198 HydrophobicContact CG-CE2 4.11Å; F21-F198 HydrophobicContact CG-CZ 4.46Å; F24-F198 HydrophobicContact CB-CD1 4.33Å; F24-F198 HydrophobicContact CB-CD2 3.69Å; F24-F198 HydrophobicContact CB-CE1 4.13Å; F24-F198 HydrophobicContact CB-CE2 3.45Å; F24-F198 VanDerWaalsContact CB-CE2 3.45Å; F24-F198 HydrophobicContact CB-CG 4.15Å; F24-F198 HydrophobicContact CB-CZ 3.68Å; F24-F198 AromaticContact CD2-CD2 3.93Å; F24-F198 HydrophobicContact CD2-CD2 3.93Å; F24-F198 AromaticContact CD2-CE2 3.93Å; F24-F198 HydrophobicContact CD2-CE2 3.93Å; F24-F198 AromaticContact CG-CD2 3.91Å; F24-F198 HydrophobicContact CG-CD2 3.91Å; F24-F198 HydrophobicContact CG-CE2 4Å; V28-F198 HydrophobicContact CG2-CD1 4.47Å; S64-F198 WeakPolarHBondContact OG-CZ 3.47Å; E97-F198 VanDerWaalsContact CD-CD1 3.44Å; E97-F198 WeakPolarHBondContact OE1-CD1 3.3Å; E97-F198 WeakPolarHBondContact OE1-CE1 2.93Å; E97-F198 WeakPolarHBondContact OE2-CD1 3.29Å; L194-F198 VanDerWaalsContact O-CB 3.31Å; L194-F198 WeakPolarHBondContact O-CB 3.21Å; L194-F198 PolarHBondContact O-N 3.17Å; F196-F198 VanDerWaalsContact C-N 3.28Å; F196-F198 PolarHBondContact O-N 3.15Å; F198-I200 VanDerWaalsContact C-N 3.31Å; F198-I200 PolarHBondContact O-N 2.8Å; F198-I201 PolarHBondContact O-N 3.3Å; F198-I201 VanDerWaalsContact O-N 3.17Å; F198-H202 AromaticContact CD1-CE1 3.72Å; F198-H202 AromaticContact CD2-CE1 3.95Å; F198-H202 AromaticContact CE1-CE1 3.22Å; F198-H202 WeakPolarHBondContact CE1-CE1 3.5Å; F198-H202 AromaticContact CE1-NE2 3.81Å; F198-H202 AromaticContact CE2-CD2 3.95Å; F198-H202 AromaticContact CE2-CE1 3.48Å; F198-H202 VanDerWaalsContact CE2-CE1 3.48Å; F198-H202 WeakPolarHBondContact CE2-CE1 3.4Å; F198-H202 AromaticContact CE2-NE2 3.34Å; F198-H202 VanDerWaalsContact CE2-NE2 3.34Å; F198-H202 WeakPolarHBondContact CE2-NE2 3.41Å; F198-H202 AromaticContact CZ-CE1 3.1Å; F198-H202 WeakPolarHBondContact CZ-CE1 3.39Å; F198-H202 AromaticContact CZ-NE2 3.16Å; F198-H202 WeakPolarHBondContact CZ-NE2 3.03Å; F198-H202 PolarHBondContact O-N 2.91Å
199G94.7Very high94.8Very high1 Ų144.5 Ų44.51%0.0123%0.233CC..Hα-helixtrans-59.3-38.5174.400000113.1E97 C195 F196 H202 G203E97-G199 PolarHBondContact OE2-N 3.12Å; C195-G199 PolarHBondContact O-N 2.88Å; F196-G199 PolarHBondContact O-N 2.99Å; G199-H202 PolarHBondContact O-N 3.33Å; G199-G203 PolarHBondContact O-N 3.1Å
200I94.9Very high94.3Very high112 Ų11246.2 Ų46.257%0.57424%0.236SC*.Hα-helixtrans-65.9-45.9175-67.3165.4000110.8F196 S197 F198 H202 G203 V204F196-I200 VanDerWaalsContact O-CG1 3.3Å; F196-I200 WeakPolarHBondContact O-CG1 3.34Å; F196-I200 PolarHBondContact O-N 3.12Å; S197-I200 PolarHBondContact O-N 2.77Å; F198-I200 VanDerWaalsContact C-N 3.31Å; F198-I200 PolarHBondContact O-N 2.8Å; I200-H202 VanDerWaalsContact C-N 3.32Å; I200-H202 PolarHBondContact O-N 3.29Å; I200-G203 PolarHBondContact O-N 3.33Å; I200-G203 VanDerWaalsContact O-N 3.16Å; I200-V204 WeakPolarHBondContact O-CG2 3.47Å; I200-V204 PolarHBondContact O-N 3.43Å
201I94.7Very high93.8Very high51 Ų5148.8 Ų48.826%0.26225%0.249SC..Hα-helixtrans-62.4-42.5178.7-60.4164.2000110.2F21 F24 S197 F198 G203 V204 Y205F21-I201 HydrophobicContact CE1-CG2 3.71Å; F21-I201 HydrophobicContact CZ-CG2 4.36Å; F24-I201 HydrophobicContact CE2-CD1 4.09Å; F24-I201 HydrophobicContact CZ-CD1 4.24Å; S197-I201 VanDerWaalsContact O-CG1 3.25Å; S197-I201 WeakPolarHBondContact O-CG1 3.44Å; S197-I201 PolarHBondContact O-N 3.26Å; S197-I201 VanDerWaalsContact O-N 3.14Å; F198-I201 PolarHBondContact O-N 3.3Å; F198-I201 VanDerWaalsContact O-N 3.17Å; I201-G203 PolarHBondContact O-N 2.04Å; I201-V204 PolarHBondContact O-N 3.28Å; I201-Y205 WeakPolarHBondContact O-CB 3.43Å; I201-Y205 PolarHBondContact O-N 3.01Å
202H93.8Very high93.1Very high0 Ų051.4 Ų51.40%026%0.262CS..Hα-helixtrans-56.7-47.7172-79.3153.8000111.7F21 M94 E97 F198 G199 I200 V204 Y205 L206F21-H202 AromaticContact CD2-CD2 3.9Å; F21-H202 AromaticContact CD2-NE2 3.96Å; F21-H202 AromaticContact CE1-CD2 3.79Å; F21-H202 AromaticContact CE2-CD2 3.71Å; F21-H202 AromaticContact CG-NE2 3.85Å; F21-H202 AromaticContact CZ-CD2 3.63Å; M94-H202 HydrophobicContact CB-CB 4.08Å; M94-H202 HydrophobicContact CG-CB 4.1Å; E97-H202 IonicContact OE1-CE1 2.64Å; E97-H202 IonicContact OE2-CE1 3.87Å; E97-H202 PolarHBondContact OE2-CE1 3.12Å; E97-H202 IonicContact OE2-ND1 2.98Å; E97-H202 PolarHBondContact OE2-ND1 3.27Å; F198-H202 AromaticContact CD1-CE1 3.72Å; F198-H202 AromaticContact CD2-CE1 3.95Å; F198-H202 AromaticContact CE1-CE1 3.22Å; F198-H202 WeakPolarHBondContact CE1-CE1 3.5Å; F198-H202 AromaticContact CE1-NE2 3.81Å; F198-H202 AromaticContact CE2-CD2 3.95Å; F198-H202 AromaticContact CE2-CE1 3.48Å; F198-H202 VanDerWaalsContact CE2-CE1 3.48Å; F198-H202 WeakPolarHBondContact CE2-CE1 3.4Å; F198-H202 AromaticContact CE2-NE2 3.34Å; F198-H202 VanDerWaalsContact CE2-NE2 3.34Å; F198-H202 WeakPolarHBondContact CE2-NE2 3.41Å; F198-H202 AromaticContact CZ-CE1 3.1Å; F198-H202 WeakPolarHBondContact CZ-CE1 3.39Å; F198-H202 AromaticContact CZ-NE2 3.16Å; F198-H202 WeakPolarHBondContact CZ-NE2 3.03Å; F198-H202 PolarHBondContact O-N 2.91Å; G199-H202 PolarHBondContact O-N 3.33Å; I200-H202 VanDerWaalsContact C-N 3.32Å; I200-H202 PolarHBondContact O-N 3.29Å; H202-V204 VanDerWaalsContact C-N 3.35Å; H202-V204 PolarHBondContact O-N 2.69Å; H202-Y205 PolarHBondContact O-N 3.24Å; H202-L206 WeakPolarHBondContact O-CB 3.36Å; H202-L206 VanDerWaalsContact O-CG 3.27Å; H202-L206 WeakPolarHBondContact O-CG 3.38Å; H202-L206 PolarHBondContact O-N 3.38Å
203G94.3Very high92.4Very high25 Ų2552.3 Ų52.326%0.25827%0.267SS..Hα-helixtrans-58.1-44.2178.900000113M94 G199 I200 I201 L206 L207M94-G203 VanDerWaalsContact SD-CA 3.54Å; G199-G203 PolarHBondContact O-N 3.1Å; I200-G203 PolarHBondContact O-N 3.33Å; I200-G203 VanDerWaalsContact O-N 3.16Å; I201-G203 PolarHBondContact O-N 2.04Å; G203-L206 PolarHBondContact O-N 3.32Å; G203-L207 WeakPolarHBondContact O-CB 3.46Å; G203-L207 PolarHBondContact O-N 3.08Å
204V94.6Very high91.6Very high92 Ų9248.1 Ų48.156%0.55826%0.26SS*.Hα-helixtrans-64-45.5176.9174.10000111.3I200 I201 H202 L207 F208I200-V204 WeakPolarHBondContact O-CG2 3.47Å; I200-V204 PolarHBondContact O-N 3.43Å; I201-V204 PolarHBondContact O-N 3.28Å; H202-V204 VanDerWaalsContact C-N 3.35Å; H202-V204 PolarHBondContact O-N 2.69Å; V204-L207 PolarHBondContact O-N 3.43Å; V204-F208 WeakPolarHBondContact O-CB 3.35Å; V204-F208 PolarHBondContact O-N 2.88Å
205Y94.8Very high90.7Very high6 Ų651.8 Ų51.82%0.02428%0.278CS..Hα-helixtrans-62.3-43.6177.5167.8-93.8000112.6F14 F17 N18 F21 H86 L87 L90 I201 H202 F208 S209F14-Y205 HydrophobicContact CD2-CE2 4.28Å; F14-Y205 WeakPolarHBondContact CD2-OH 3.33Å; F14-Y205 WeakPolarHBondContact CE2-OH 3.41Å; F14-Y205 WeakPolarHBondContact CZ-OH 3.42Å; F17-Y205 HydrophobicContact CB-CD2 3.72Å; F17-Y205 HydrophobicContact CB-CE2 3.83Å; F17-Y205 HydrophobicContact CD2-CD2 4.07Å; F17-Y205 AromaticContact CG-CD2 3.89Å; F17-Y205 HydrophobicContact CG-CD2 3.89Å; F17-Y205 HydrophobicContact CG-CE2 4.41Å; N18-Y205 PolarHBondContact ND2-OH 2.77Å; N18-Y205 VanDerWaalsContact ND2-OH 3.15Å; F21-Y205 AromaticContact CE2-CD1 3.61Å; F21-Y205 HydrophobicContact CE2-CD1 3.61Å; F21-Y205 HydrophobicContact CE2-CD2 4.05Å; F21-Y205 AromaticContact CE2-CE1 3.95Å; F21-Y205 HydrophobicContact CE2-CE1 3.95Å; F21-Y205 HydrophobicContact CE2-CE2 4.36Å; F21-Y205 AromaticContact CE2-CG 3.65Å; F21-Y205 HydrophobicContact CE2-CG 3.65Å; F21-Y205 HydrophobicContact CZ-CD1 4.05Å; F21-Y205 HydrophobicContact CZ-CD2 4.19Å; F21-Y205 AromaticContact CZ-CG 3.7Å; F21-Y205 HydrophobicContact CZ-CG 3.7Å; H86-Y205 AromaticContact NE2-CE1 3.67Å; H86-Y205 AromaticContact NE2-CZ 3.67Å; H86-Y205 PolarHBondContact NE2-OH 3.11Å; L87-Y205 HydrophobicContact CD2-CE1 4.35Å; L90-Y205 HydrophobicContact CD1-CD1 4.11Å; L90-Y205 HydrophobicContact CD1-CE1 3.64Å; I201-Y205 WeakPolarHBondContact O-CB 3.43Å; I201-Y205 PolarHBondContact O-N 3.01Å; H202-Y205 PolarHBondContact O-N 3.24Å; Y205-F208 PolarHBondContact O-N 3.45Å; Y205-S209 WeakPolarHBondContact O-CB 3.41Å; Y205-S209 PolarHBondContact O-N 3.27Å; Y205-S209 PolarHBondContact O-OG 2.74Å
206L93.9Very high89.7Confident7 Ų752.4 Ų52.44%0.03728%0.283CS..Hα-helixtrans-64.1-46.5177.6-73.1170.9000110.4L87 L90 M94 H202 G203 F208 S209 F210L87-L206 HydrophobicContact CB-CD2 4.44Å; L87-L206 HydrophobicContact CD2-CD2 3.82Å; L90-L206 HydrophobicContact CB-CD2 4.13Å; M94-L206 HydrophobicContact SD-CD1 3.98Å; H202-L206 WeakPolarHBondContact O-CB 3.36Å; H202-L206 VanDerWaalsContact O-CG 3.27Å; H202-L206 WeakPolarHBondContact O-CG 3.38Å; H202-L206 PolarHBondContact O-N 3.38Å; G203-L206 PolarHBondContact O-N 3.32Å; L206-F208 PolarHBondContact O-N 2.84Å; L206-S209 WeakPolarHBondContact O-CB 3.49Å; L206-S209 PolarHBondContact O-N 3.23Å; L206-S209 VanDerWaalsContact O-N 3.16Å; L206-F210 HydrophobicContact CB-CD2 4.36Å; L206-F210 HydrophobicContact CB-CE2 4.31Å; L206-F210 WeakPolarHBondContact O-CD2 3.41Å; L206-F210 PolarHBondContact O-N 3.02Å
207L92.4Very high88.6Confident107 Ų10754 Ų5456%0.5629%0.289SS*.Hα-helixtrans-56.9-49.1176.6178.963000111.4G203 V204 S209 F210 L211G203-L207 WeakPolarHBondContact O-CB 3.46Å; G203-L207 PolarHBondContact O-N 3.08Å; V204-L207 PolarHBondContact O-N 3.43Å; L207-S209 VanDerWaalsContact C-N 3.32Å; L207-S209 PolarHBondContact O-N 3.21Å; L207-F210 PolarHBondContact O-N 3.01Å; L207-L211 HydrophobicContact CD1-CD1 4.26Å; L207-L211 HydrophobicContact CD1-CG 4.3Å; L207-L211 HydrophobicContact CG-CD1 4.12Å; L207-L211 VanDerWaalsContact O-CG 3.29Å; L207-L211 WeakPolarHBondContact O-CG 3.39Å; L207-L211 PolarHBondContact O-N 3.38Å
208F90.2Very high87.7Confident89 Ų8957.4 Ų57.439%0.3930%0.302SS..Hα-helixtrans-59-45176.5179.7-100.6000111.6L13 V204 Y205 L206 F210 L211 M212L13-F208 HydrophobicContact CD2-CE1 4.03Å; L13-F208 HydrophobicContact CD2-CZ 4.22Å; V204-F208 WeakPolarHBondContact O-CB 3.35Å; V204-F208 PolarHBondContact O-N 2.88Å; Y205-F208 PolarHBondContact O-N 3.45Å; L206-F208 PolarHBondContact O-N 2.84Å; F208-F210 PolarHBondContact O-N 2.89Å; F208-L211 PolarHBondContact O-N 3.22Å; F208-M212 HydrophobicContact CD1-CG 4.27Å; F208-M212 HydrophobicContact CE1-CG 3.87Å; F208-M212 HydrophobicContact CE2-CG 4.17Å; F208-M212 HydrophobicContact CE2-SD 4.34Å; F208-M212 HydrophobicContact CZ-CG 3.82Å; F208-M212 HydrophobicContact CZ-SD 4.07Å; F208-M212 VanDerWaalsContact O-CG 3.27Å; F208-M212 WeakPolarHBondContact O-CG 3.33Å; F208-M212 PolarHBondContact O-N 3.19Å
209S88.9Confident86.4Confident14 Ų1459.6 Ų59.610%0.09833%0.325CS..Hα-helixtrans-62.4-42.8178.6-60.40000112.2Y205 L206 L207 M212 I213Y205-S209 WeakPolarHBondContact O-CB 3.41Å; Y205-S209 PolarHBondContact O-N 3.27Å; Y205-S209 PolarHBondContact O-OG 2.74Å; L206-S209 WeakPolarHBondContact O-CB 3.49Å; L206-S209 PolarHBondContact O-N 3.23Å; L206-S209 VanDerWaalsContact O-N 3.16Å; L207-S209 VanDerWaalsContact C-N 3.32Å; L207-S209 PolarHBondContact O-N 3.21Å; S209-M212 PolarHBondContact O-N 2.52Å; S209-I213 VanDerWaalsContact O-CG1 3.29Å; S209-I213 WeakPolarHBondContact O-CG1 3.45Å; S209-I213 PolarHBondContact O-N 2.76Å
210F85.8Confident84.9Confident99 Ų9963 Ų6343%0.43434%0.34SS..Hα-helixtrans-64.4-46176.2-81.2-65000112.1L206 L207 F208 M212 I213 C214L206-F210 HydrophobicContact CB-CD2 4.36Å; L206-F210 HydrophobicContact CB-CE2 4.31Å; L206-F210 WeakPolarHBondContact O-CD2 3.41Å; L206-F210 PolarHBondContact O-N 3.02Å; L207-F210 PolarHBondContact O-N 3.01Å; F208-F210 PolarHBondContact O-N 2.89Å; F210-M212 VanDerWaalsContact C-N 3.32Å; F210-M212 PolarHBondContact O-N 2.94Å; F210-I213 PolarHBondContact O-N 3.15Å; F210-C214 PolarHBondContact O-N 2.82Å; F210-C214 PolarHBondContact O-SG 3.39Å
211L87Confident83.4Confident94 Ų9462.9 Ų62.949%0.49234%0.339SS..Hα-helixtrans-58.8-44.1177.1-70.6173.1000111.5L207 F208 I213 C214 I215L207-L211 HydrophobicContact CD1-CD1 4.26Å; L207-L211 HydrophobicContact CD1-CG 4.3Å; L207-L211 HydrophobicContact CG-CD1 4.12Å; L207-L211 VanDerWaalsContact O-CG 3.29Å; L207-L211 WeakPolarHBondContact O-CG 3.39Å; L207-L211 PolarHBondContact O-N 3.38Å; F208-L211 PolarHBondContact O-N 3.22Å; L211-I213 PolarHBondContact O-N 2.87Å; L211-C214 PolarHBondContact O-N 3.09Å; L211-I215 WeakPolarHBondContact O-CG1 3.35Å; L211-I215 PolarHBondContact O-N 3.35Å
212M83.2Confident81.6Confident57 Ų5762 Ų6228%0.28134%0.343SS..Hα-helixtrans-62.3-40.4176.7-71.4-62.7-64.200112.5L6 F208 S209 F210 S216L6-M212 HydrophobicContact CD1-CE 4.15Å; F208-M212 HydrophobicContact CD1-CG 4.27Å; F208-M212 HydrophobicContact CE1-CG 3.87Å; F208-M212 HydrophobicContact CE2-CG 4.17Å; F208-M212 HydrophobicContact CE2-SD 4.34Å; F208-M212 HydrophobicContact CZ-CG 3.82Å; F208-M212 HydrophobicContact CZ-SD 4.07Å; F208-M212 VanDerWaalsContact O-CG 3.27Å; F208-M212 WeakPolarHBondContact O-CG 3.33Å; F208-M212 PolarHBondContact O-N 3.19Å; S209-M212 PolarHBondContact O-N 2.52Å; F210-M212 VanDerWaalsContact C-N 3.32Å; F210-M212 PolarHBondContact O-N 2.94Å; M212-S216 VanDerWaalsContact O-CB 3.31Å; M212-S216 WeakPolarHBondContact O-CB 3.13Å; M212-S216 PolarHBondContact O-N 2.87Å; M212-S216 VanDerWaalsContact O-N 3.08Å
213I82Confident79.9Confident33 Ų3365.1 Ų65.117%0.16936%0.364CS..Hα-helixtrans-65.2-41.6175.8-70166.2000111.2Y84 L87 S209 F210 L211 S216 K217Y84-I213 HydrophobicContact CE1-CD1 4.49Å; L87-I213 HydrophobicContact CD1-CD1 3.49Å; L87-I213 VanDerWaalsContact CD1-CD1 3.49Å; S209-I213 VanDerWaalsContact O-CG1 3.29Å; S209-I213 WeakPolarHBondContact O-CG1 3.45Å; S209-I213 PolarHBondContact O-N 2.76Å; F210-I213 PolarHBondContact O-N 3.15Å; L211-I213 PolarHBondContact O-N 2.87Å; I213-S216 PolarHBondContact O-N 3.43Å; I213-K217 PolarHBondContact O-N 3.43Å; I213-K217 VanDerWaalsContact O-N 3.09Å
214C80.4Confident78.2Confident69 Ų6967.2 Ų67.247%0.46638%0.375SS..Hα-helixtrans-63.2-49178-70.90000112F210 L211 S216 K217 I218F210-C214 PolarHBondContact O-N 2.82Å; F210-C214 PolarHBondContact O-SG 3.39Å; L211-C214 PolarHBondContact O-N 3.09Å; C214-S216 VanDerWaalsContact C-N 3.3Å; C214-S216 PolarHBondContact O-N 3.28Å; C214-K217 PolarHBondContact O-N 3.13Å; C214-K217 VanDerWaalsContact O-N 3.11Å; C214-I218 WeakPolarHBondContact O-CG1 3.43Å; C214-I218 PolarHBondContact O-N 2.86Å; C214-I218 VanDerWaalsContact O-N 3.11Å
215I78.4Confident76.6Confident114 Ų11469.1 Ų69.159%0.58538%0.378SS*.Hα-helixtrans-59-43.7177.7-67.2166.6000110.6L211 K217 I218 G219L211-I215 WeakPolarHBondContact O-CG1 3.35Å; L211-I215 PolarHBondContact O-N 3.35Å; I215-K217 VanDerWaalsContact C-N 3.31Å; I215-K217 PolarHBondContact O-N 3.12Å; I215-I218 PolarHBondContact O-N 2.8Å; I215-G219 PolarHBondContact O-N 3.5Å
216S74.8Confident74.9Confident13 Ų1372.8 Ų72.89%0.09140%0.401CS..Hα-helixtrans-59.3-38.1176.3153.90000113.1I5 M212 I213 C214 K220I5-S216 WeakPolarHBondContact CD1-OG 3.5Å; M212-S216 VanDerWaalsContact O-CB 3.31Å; M212-S216 WeakPolarHBondContact O-CB 3.13Å; M212-S216 PolarHBondContact O-N 2.87Å; M212-S216 VanDerWaalsContact O-N 3.08Å; I213-S216 PolarHBondContact O-N 3.43Å; C214-S216 VanDerWaalsContact C-N 3.3Å; C214-S216 PolarHBondContact O-N 3.28Å; S216-K220 PolarHBondContact O-N 3.37Å
217K74.4Confident73.2Confident101 Ų10176.3 Ų76.344%0.43943%0.426SS..Hα-helixtrans-69.3-42.2177.2-76.9-175.6179-177.50111.8M1 I213 C214 I215 K220 I221M1-K217 HydrophobicContact CE-CG 4.13Å; I213-K217 PolarHBondContact O-N 3.43Å; I213-K217 VanDerWaalsContact O-N 3.09Å; C214-K217 PolarHBondContact O-N 3.13Å; C214-K217 VanDerWaalsContact O-N 3.11Å; I215-K217 VanDerWaalsContact C-N 3.31Å; I215-K217 PolarHBondContact O-N 3.12Å; K217-K220 PolarHBondContact O-N 3.18Å; K217-I221 WeakPolarHBondContact O-CG1 3.45Å; K217-I221 PolarHBondContact O-N 2.85Å
218I75.6Confident71.6Confident121 Ų12174.8 Ų74.862%0.62142%0.423SS*.Hα-helixtrans-62.8-45.2178.7-64.4166000110.7C214 I215 K220 I221 G222C214-I218 WeakPolarHBondContact O-CG1 3.43Å; C214-I218 PolarHBondContact O-N 2.86Å; C214-I218 VanDerWaalsContact O-N 3.11Å; I215-I218 PolarHBondContact O-N 2.8Å; I218-K220 VanDerWaalsContact C-N 3.27Å; I218-K220 PolarHBondContact O-N 3.35Å; I218-I221 PolarHBondContact O-N 3.21Å; I218-I221 VanDerWaalsContact O-N 3.14Å; I218-G222 PolarHBondContact O-N 3.31Å
219G64.9Low70.3Confident47 Ų4773.9 Ų73.949%0.48543%0.427SS..Hα-helixtrans-59.3-36178.500000113.6I215 S223I215-G219 PolarHBondContact O-N 3.5Å; G219-S223 PolarHBondContact O-N 2.82Å; G219-S223 PolarHBondContact O-OG 3.09Å
220K62.9Low69Low72 Ų7278 Ų7831%0.31345%0.448SS..Hα-helixtrans-71.6-36.4175.6-75.8-175.1178.1171.30113.5N2 S216 K217 I218 S223 S224N2-K220 PolarHBondContact O-NZ 2.89Å; S216-K220 PolarHBondContact O-N 3.37Å; K217-K220 PolarHBondContact O-N 3.18Å; I218-K220 VanDerWaalsContact C-N 3.27Å; I218-K220 PolarHBondContact O-N 3.35Å; K220-S223 WeakPolarHBondContact CA-OG 3.45Å; K220-S223 PolarHBondContact O-OG 3.03Å; K220-S223 VanDerWaalsContact O-OG 3.06Å; K220-S224 VanDerWaalsContact O-CB 3.32Å; K220-S224 WeakPolarHBondContact O-CB 3.4Å; K220-S224 PolarHBondContact O-N 3.46Å
221I64.3Low67.7Low110 Ų11079.7 Ų79.756%0.56446%0.458SS*.Hα-helixtrans-65.2-45.1175.8-66.2164.2000109.2K217 I218 S224 Q225K217-I221 WeakPolarHBondContact O-CG1 3.45Å; K217-I221 PolarHBondContact O-N 2.85Å; I218-I221 PolarHBondContact O-N 3.21Å; I218-I221 VanDerWaalsContact O-N 3.14Å; I221-S224 PolarHBondContact O-N 2.86Å; I221-Q225 PolarHBondContact O-N 3.06Å
222G57.2Low66.3Low32 Ų3279.1 Ų79.133%0.3346%0.458SS..Hα-helixtrans-59.7-48.7175.500000112.9I218 S224 Q225 T226I218-G222 PolarHBondContact O-N 3.31Å; G222-S224 VanDerWaalsContact C-N 3.32Å; G222-S224 PolarHBondContact O-N 3.38Å; G222-Q225 PolarHBondContact O-N 3.27Å; G222-T226 PolarHBondContact O-N 3.17Å; G222-T226 PolarHBondContact O-OG1 3.37Å; G222-T226 VanDerWaalsContact O-OG1 3.07Å
223S57.3Low65.1Low65 Ų6583.7 Ų83.746%0.45548%0.477SS..Hα-helixtrans-65.1-35.2178.365.20000113G219 K220 Q225 T226 C227G219-S223 PolarHBondContact O-N 2.82Å; G219-S223 PolarHBondContact O-OG 3.09Å; K220-S223 WeakPolarHBondContact CA-OG 3.45Å; K220-S223 PolarHBondContact O-OG 3.03Å; K220-S223 VanDerWaalsContact O-OG 3.06Å; S223-Q225 VanDerWaalsContact C-N 3.35Å; S223-T226 PolarHBondContact O-N 2.67Å; S223-C227 PolarHBondContact O-N 2.92Å
224S59.3Low64Low70 Ų7086.9 Ų86.949%0.4950%0.498SS..Hα-helixtrans-66.6-37.9176.1-163.40000111.4K220 I221 G222 C228K220-S224 VanDerWaalsContact O-CB 3.32Å; K220-S224 WeakPolarHBondContact O-CB 3.4Å; K220-S224 PolarHBondContact O-N 3.46Å; I221-S224 PolarHBondContact O-N 2.86Å; G222-S224 VanDerWaalsContact C-N 3.32Å; G222-S224 PolarHBondContact O-N 3.38Å; S224-C228 PolarHBondContact O-N 3.48Å; S224-C228 VanDerWaalsContact O-N 3.09Å; S224-C228 PolarHBondContact O-SG 3.37Å; S224-C228 VanDerWaalsContact O-SG 3.39Å
225Q59.9Low62.9Low131 Ų13188.2 Ų88.261%0.61250%0.504SS*.Hα-helixtrans-67.6-39174-84.1-178.3-41.600112.5I221 G222 S223 C228 S229I221-Q225 PolarHBondContact O-N 3.06Å; G222-Q225 PolarHBondContact O-N 3.27Å; S223-Q225 VanDerWaalsContact C-N 3.35Å; Q225-C228 PolarHBondContact O-N 3.11Å; Q225-S229 PolarHBondContact O-N 3.22Å; Q225-S229 PolarHBondContact O-OG 3.28Å
226T61Low62Low83 Ų8389.4 Ų89.451%0.50951%0.511SS..Hα-helixtrans-63.6-46175.2-47.70000111.2G222 S223 C228 S229 D230G222-T226 PolarHBondContact O-N 3.17Å; G222-T226 PolarHBondContact O-OG1 3.37Å; G222-T226 VanDerWaalsContact O-OG1 3.07Å; S223-T226 PolarHBondContact O-N 2.67Å; T226-C228 VanDerWaalsContact C-N 3.34Å; T226-C228 PolarHBondContact O-N 2.94Å; T226-S229 PolarHBondContact O-N 3.43Å; T226-S229 VanDerWaalsContact O-N 3.11Å; T226-D230 PolarHBondContact O-N 3Å
227C56.9Low61.1Low82 Ų8297.2 Ų97.255%0.55455%0.547SS*.Hα-helixtrans-60.1-40.9176-79.90000112.9S223 S229 Q231S223-C227 PolarHBondContact O-N 2.92Å; C227-S229 VanDerWaalsContact C-N 3.32Å; C227-S229 PolarHBondContact O-N 3.02Å; C227-Q231 WeakPolarHBondContact O-CG 3.32Å; C227-Q231 PolarHBondContact O-N 3.36Å; C227-Q231 VanDerWaalsContact O-N 3.12Å
228C60Low59.8Low74 Ų74102.6 Ų102.650%0.558%0.58SS.*Hα-helixtrans-66.6-34.1175.7-72.30000112.5S224 Q225 T226 T232S224-C228 PolarHBondContact O-N 3.48Å; S224-C228 VanDerWaalsContact O-N 3.09Å; S224-C228 PolarHBondContact O-SG 3.37Å; S224-C228 VanDerWaalsContact O-SG 3.39Å; Q225-C228 PolarHBondContact O-N 3.11Å; T226-C228 VanDerWaalsContact C-N 3.34Å; T226-C228 PolarHBondContact O-N 2.94Å; C228-T232 PolarHBondContact O-N 3.01Å; C228-T232 PolarHBondContact O-OG1 3.03Å
229S61.9Low59Low70 Ų70101.7 Ų101.749%0.4958%0.578SS.*Hα-helixtrans-75.6-32.7179.6-57.10000113.1Q225 T226 C227 T232 K233Q225-S229 PolarHBondContact O-N 3.22Å; Q225-S229 PolarHBondContact O-OG 3.28Å; T226-S229 PolarHBondContact O-N 3.43Å; T226-S229 VanDerWaalsContact O-N 3.11Å; C227-S229 VanDerWaalsContact C-N 3.32Å; C227-S229 PolarHBondContact O-N 3.02Å; S229-T232 WeakPolarHBondContact CA-OG1 3.42Å; S229-T232 PolarHBondContact O-OG1 3.38Å; S229-K233 PolarHBondContact O-N 3.07Å
230D60.6Low58.7Low100 Ų100104.5 Ų104.554%0.53558%0.583SS.*Hα-helixtrans-71-37.1172.9-81.9-22.6000111.3T226 K233 T234T226-D230 PolarHBondContact O-N 3Å; D230-K233 PolarHBondContact O-N 2.92Å; D230-T234 PolarHBondContact O-N 3.21Å; D230-T234 PolarHBondContact O-OG1 2.86Å
231Q58.5Low58.4Low135 Ų135106.3 Ų106.363%0.63160%0.598SS**Hα-helixtrans-65.6-37.8176.6-79.7-171.7-31.300113.2C227 T234 T235C227-Q231 WeakPolarHBondContact O-CG 3.32Å; C227-Q231 PolarHBondContact O-N 3.36Å; C227-Q231 VanDerWaalsContact O-N 3.12Å; Q231-T234 PolarHBondContact O-N 3.27Å; Q231-T234 PolarHBondContact O-OG1 3.21Å; Q231-T235 PolarHBondContact O-N 2.97Å; Q231-T235 PolarHBondContact O-OG1 3.19Å
232T58.3Low58.1Low82 Ų82106.1 Ų106.150%0.50360%0.6SS.*Hα-helixtrans-68-34.8175.627.70000112.6C228 S229 T234 T235C228-T232 PolarHBondContact O-N 3.01Å; C228-T232 PolarHBondContact O-OG1 3.03Å; S229-T232 WeakPolarHBondContact CA-OG1 3.42Å; S229-T232 PolarHBondContact O-OG1 3.38Å; T232-T234 VanDerWaalsContact C-N 3.35Å; T232-T234 PolarHBondContact O-N 3.28Å; T232-T235 PolarHBondContact O-N 3.25Å; T232-T235 PolarHBondContact O-OG1 2.84Å
233K58.5Low58.1Low154 Ų154110.8 Ų110.867%0.6762%0.617SS**Hα-helixtrans-65-36.3175-86.3-176.2177.2179.60113.1S229 D230 T235S229-K233 PolarHBondContact O-N 3.07Å; D230-K233 PolarHBondContact O-N 2.92Å; K233-T235 VanDerWaalsContact C-N 3.32Å; K233-T235 PolarHBondContact O-N 3.29Å
234T58.4Low58.2Low99 Ų99113.8 Ų113.861%0.60763%0.627SS**Hα-helixtrans-73.3-19.7178.240.30000114.4D230 Q231 T232D230-T234 PolarHBondContact O-N 3.21Å; D230-T234 PolarHBondContact O-OG1 2.86Å; Q231-T234 PolarHBondContact O-N 3.27Å; Q231-T234 PolarHBondContact O-OG1 3.21Å; T232-T234 VanDerWaalsContact C-N 3.35Å; T232-T234 PolarHBondContact O-N 3.28Å
235T58.3Low58.1Low98 Ų98116.9 Ų116.960%0.60164%0.637SS**Hα-helixtrans-86.8-12.517739.50000114.3Q231 T232 K233Q231-T235 PolarHBondContact O-N 2.97Å; Q231-T235 PolarHBondContact O-OG1 3.19Å; T232-T235 PolarHBondContact O-N 3.25Å; T232-T235 PolarHBondContact O-OG1 2.84Å; K233-T235 VanDerWaalsContact C-N 3.32Å; K233-T235 PolarHBondContact O-N 3.29Å
236D59.3Low58Low138 Ų138115.8 Ų115.874%0.73864%0.639SS**SBendtrans-92.73.1178.9-73-26.2000112.9
237E55.1Low57.7Low178 Ų178118.6 Ų118.683%0.83265%0.65SS**  trans-112.88.3-176.9-124.4167.3-175.800114.9
238D46.6Very low57.8Low213 Ų213121.9 Ų121.9100%1.13966%0.659SS**  trans-109.20168.6-77-29.6000111.4

Retrieved 238 of 238 residues in 438.4 ms (Link to these results)

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