A0A087X4Y7_POEFO Loading...

Solute carrier family 22 member 23

AlphaFold DB , UniProt , Accession A0A087X4Y7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 445 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M87.3Confident91.3Very high42 Ų4246.7 Ų46.721%0.20724%0.244CC..  0-67.20-167.653.2-178.100111.6V3 F4 G5 E24 C27 L28 I90 F93M1-V3 PolarHBondContact O-N 2.77Å; M1-F4 PolarHBondContact O-N 3.03Å; M1-G5 PolarHBondContact O-N 3.5Å; M1-E24 HydrophobicContact CE-CG 3.43Å; M1-E24 VanDerWaalsContact CE-CG 3.43Å; M1-E24 WeakPolarHBondContact CE-OE1 3.46Å; M1-E24 HydrophobicContact SD-CB 4.48Å; M1-E24 HydrophobicContact SD-CG 3.52Å; M1-E24 VanDerWaalsContact SD-CG 3.52Å; M1-C27 HydrophobicContact CB-CB 4.04Å; M1-C27 PolarHBondContact N-SG 3.14Å; M1-C27 HydrophobicContact SD-CB 4.23Å; M1-L28 HydrophobicContact CE-CB 4.43Å; M1-L28 HydrophobicContact CE-CD1 4.4Å; M1-L28 HydrophobicContact SD-CB 4.33Å; M1-I90 HydrophobicContact CE-CD1 3.75Å; M1-F93 HydrophobicContact CE-CE2 4.43Å; M1-F93 HydrophobicContact CG-CE1 4.48Å
2L90.7Very high91.3Very high44 Ų4452.7 Ų52.723%0.2328%0.283CS..Hα-helixtrans-54.7-49.1-174.8-165.2154000114.1L6 I90 V94 L97L2-L6 HydrophobicContact CD2-CD1 3.59Å; L2-L6 HydrophobicContact CD2-CG 4.48Å; L2-L6 HydrophobicContact CG-CD1 4.47Å; L2-L6 WeakPolarHBondContact O-CB 3.33Å; L2-L6 WeakPolarHBondContact O-CG 3.26Å; L2-L6 PolarHBondContact O-N 3.02Å; L2-I90 HydrophobicContact CG-CG2 4.31Å; L2-V94 HydrophobicContact CD1-CB 4.34Å; L2-V94 HydrophobicContact CD1-CG2 3.73Å; L2-L97 HydrophobicContact CD1-CD1 4.22Å; L2-L97 HydrophobicContact CD1-CG 4.48Å
3V91.6Very high91.5Very high102 Ų10256.4 Ų56.462%0.61830%0.303SS*.Hα-helixtrans-61.5-52.9178.8178.10000111.9M1 L6 S7M1-V3 PolarHBondContact O-N 2.77Å; V3-L6 PolarHBondContact O-N 2.77Å; V3-S7 WeakPolarHBondContact O-CB 3.34Å; V3-S7 PolarHBondContact O-N 3.1Å; V3-S7 PolarHBondContact O-OG 3.5Å
4F93.1Very high91.6Very high74 Ų7460.9 Ų60.933%0.32533%0.333SS..Hα-helixtrans-64.1-41.9179.5-68.4-62.3000112M1 L6 S7 V8 L20 F23M1-F4 PolarHBondContact O-N 3.03Å; F4-L6 PolarHBondContact O-N 3.33Å; F4-S7 WeakPolarHBondContact O-CB 2.9Å; F4-S7 PolarHBondContact O-N 3.38Å; F4-S7 VanDerWaalsContact O-N 3.16Å; F4-V8 WeakPolarHBondContact O-CG2 3.39Å; F4-V8 PolarHBondContact O-N 3.33Å; F4-L20 HydrophobicContact CD1-CD2 3.98Å; F4-F23 HydrophobicContact CD1-CB 3.97Å; F4-F23 HydrophobicContact CD2-CB 4.09Å; F4-F23 HydrophobicContact CE1-CB 4.08Å; F4-F23 HydrophobicContact CE1-CD2 4.47Å; F4-F23 HydrophobicContact CE1-CG 4.32Å; F4-F23 HydrophobicContact CE2-CB 4.2Å; F4-F23 HydrophobicContact CG-CB 3.99Å; F4-F23 HydrophobicContact CZ-CB 4.2Å; F4-F23 HydrophobicContact CZ-CG 4.39Å
5G90.5Very high91.8Very high0 Ų064 Ų640%036%0.355CS..Hα-helixtrans-64.7-38.6179.500000113.6M1 Q86M1-G5 PolarHBondContact O-N 3.5Å; G5-Q86 PolarHBondContact O-NE2 2.98Å
6L92.2Very high92Very high61 Ų6164.3 Ų64.332%0.31935%0.354SS..Hα-helixtrans-68.3-40.8170.4-73.9172.7000111.3L2 V3 F4 V8 A9 F10 I87 I90L2-L6 HydrophobicContact CD2-CD1 3.59Å; L2-L6 HydrophobicContact CD2-CG 4.48Å; L2-L6 HydrophobicContact CG-CD1 4.47Å; L2-L6 WeakPolarHBondContact O-CB 3.33Å; L2-L6 WeakPolarHBondContact O-CG 3.26Å; L2-L6 PolarHBondContact O-N 3.02Å; V3-L6 PolarHBondContact O-N 2.77Å; F4-L6 PolarHBondContact O-N 3.33Å; L6-V8 VanDerWaalsContact C-N 3.25Å; L6-V8 PolarHBondContact O-N 3.29Å; L6-A9 WeakPolarHBondContact O-CB 3.32Å; L6-A9 PolarHBondContact O-N 3.13Å; L6-F10 WeakPolarHBondContact O-CD2 3.29Å; L6-I87 HydrophobicContact CD2-CG1 4.42Å; L6-I87 HydrophobicContact CD2-CG2 4.48Å; L6-I90 HydrophobicContact CD2-CG2 4.36Å; L6-I90 HydrophobicContact CG-CG2 4.1Å
7S92.5Very high92.1Very high40 Ų4064.4 Ų64.428%0.2835%0.35SS..Hα-helixtrans-62.3-32.7178.5-56.30000112.4V3 F4 A9 F10 S11 L20V3-S7 WeakPolarHBondContact O-CB 3.34Å; V3-S7 PolarHBondContact O-N 3.1Å; V3-S7 PolarHBondContact O-OG 3.5Å; F4-S7 WeakPolarHBondContact O-CB 2.9Å; F4-S7 PolarHBondContact O-N 3.38Å; F4-S7 VanDerWaalsContact O-N 3.16Å; S7-A9 VanDerWaalsContact C-N 3.25Å; S7-A9 PolarHBondContact O-N 3Å; S7-F10 PolarHBondContact O-N 3.26Å; S7-F10 VanDerWaalsContact O-N 3.15Å; S7-S11 PolarHBondContact O-N 3.1Å; S7-L20 WeakPolarHBondContact O-CD1 3.39Å
8V93.1Very high92.2Very high0 Ų064.4 Ų64.40%036%0.356CS..Hα-helixtrans-58.8-37.3173.91700000111.2F4 L6 F10 S11 F17 L20 R21 Q86F4-V8 WeakPolarHBondContact O-CG2 3.39Å; F4-V8 PolarHBondContact O-N 3.33Å; L6-V8 VanDerWaalsContact C-N 3.25Å; L6-V8 PolarHBondContact O-N 3.29Å; V8-F10 PolarHBondContact O-N 2.6Å; V8-S11 WeakPolarHBondContact O-CB 3.04Å; V8-S11 PolarHBondContact O-N 3.32Å; V8-S11 PolarHBondContact O-OG 3.37Å; V8-S11 VanDerWaalsContact O-OG 3.11Å; V8-F17 HydrophobicContact CG1-CD2 4Å; V8-F17 HydrophobicContact CG1-CE2 3.79Å; V8-L20 HydrophobicContact CG2-CB 3.55Å; V8-R21 HydrophobicContact CG1-CG 4.41Å; V8-R21 HydrophobicContact CG2-CG 4.42Å; V8-Q86 HydrophobicContact CB-CG 4.31Å; V8-Q86 HydrophobicContact CG1-CG 4.08Å
9A90.5Very high92.4Very high1 Ų164.9 Ų64.91%0.00836%0.361CS..Hα-helixtrans-66.2-24.9179.600000112.6L6 S7 Q83 Q86 I87L6-A9 WeakPolarHBondContact O-CB 3.32Å; L6-A9 PolarHBondContact O-N 3.13Å; S7-A9 VanDerWaalsContact C-N 3.25Å; S7-A9 PolarHBondContact O-N 3Å; A9-Q83 HydrophobicContact CB-CB 4.46Å; A9-Q83 VanDerWaalsContact O-CG 3.25Å; A9-Q83 WeakPolarHBondContact O-CG 3.39Å; A9-Q83 PolarHBondContact O-NE2 3.18Å; A9-Q86 HydrophobicContact CB-CB 4.31Å; A9-Q86 HydrophobicContact CB-CG 4.2Å; A9-I87 HydrophobicContact CB-CD1 4.14Å; A9-I87 HydrophobicContact CB-CG1 3.74Å
10F90.1Very high92.5Very high136 Ų13662.8 Ų62.860%0.59635%0.349SS*.THydrogen-bonded Turntrans-101.614.5179.5-58.8-72.7000113.3L6 S7 V8 V12L6-F10 WeakPolarHBondContact O-CD2 3.29Å; S7-F10 PolarHBondContact O-N 3.26Å; S7-F10 VanDerWaalsContact O-N 3.15Å; V8-F10 PolarHBondContact O-N 2.6Å; F10-V12 PolarHBondContact O-N 3.38Å
11S92.6Very high92.6Very high14 Ų1464.2 Ų64.210%0.09835%0.349CS..  trans-70.9129.3-178.169.90000111.7S7 V8 F17S7-S11 PolarHBondContact O-N 3.1Å; V8-S11 WeakPolarHBondContact O-CB 3.04Å; V8-S11 PolarHBondContact O-N 3.32Å; V8-S11 PolarHBondContact O-OG 3.37Å; V8-S11 VanDerWaalsContact O-OG 3.11Å; S11-F17 WeakPolarHBondContact OG-CD2 3.47Å
12V91.8Very high92.9Very high118 Ų11868.9 Ų68.972%0.71537%0.368SS*.  trans-98.3-25.4-178.8-64.10000113.9F10 M16F10-V12 PolarHBondContact O-N 3.38Å; V12-M16 HydrophobicContact CG2-SD 4.11Å
13N93.7Very high93.1Very high101 Ų10171.2 Ų71.254%0.5438%0.377SS..SBendtrans-122.2150-175.9-68.8-28.1000111.1T15 M16 F17N13-T15 VanDerWaalsContact C-N 3.27Å; N13-T15 PolarHBondContact O-N 3.42Å; N13-M16 HydrophobicContact CB-CB 4.26Å; N13-M16 WeakPolarHBondContact O-CB 3.27Å; N13-M16 PolarHBondContact O-N 3.42Å; N13-M16 VanDerWaalsContact O-N 3.09Å; N13-F17 PolarHBondContact O-N 3.25Å
14V92.9Very high93.2Very high120 Ų12067.1 Ų67.173%0.72735%0.351SS*.Hα-helixtrans-59.2-37.7178178.40000112.1F17 S18V14-F17 PolarHBondContact O-N 3.22Å; V14-S18 WeakPolarHBondContact O-CB 3.49Å; V14-S18 PolarHBondContact O-N 2.82Å; V14-S18 PolarHBondContact O-OG 2.96Å
15T95.1Very high93.2Very high107 Ų10765.3 Ų65.366%0.65635%0.353SS*.Hα-helixtrans-64.4-43.7175.850.60000111.6N13 S18 T19N13-T15 VanDerWaalsContact C-N 3.27Å; N13-T15 PolarHBondContact O-N 3.42Å; T15-S18 PolarHBondContact O-N 3.4Å; T15-T19 WeakPolarHBondContact O-CB 3.46Å; T15-T19 VanDerWaalsContact O-CG2 3.28Å; T15-T19 WeakPolarHBondContact O-CG2 3.31Å; T15-T19 PolarHBondContact O-N 3.12Å; T15-T19 PolarHBondContact O-OG1 3.45Å
16M94.7Very high93.3Very high69 Ų6972.5 Ų72.534%0.3439%0.385SS..Hα-helixtrans-63.6-46.6174.8-178.9-179.8174.600111.1V12 N13 S18 T19 L20V12-M16 HydrophobicContact CG2-SD 4.11Å; N13-M16 HydrophobicContact CB-CB 4.26Å; N13-M16 WeakPolarHBondContact O-CB 3.27Å; N13-M16 PolarHBondContact O-N 3.42Å; N13-M16 VanDerWaalsContact O-N 3.09Å; M16-S18 PolarHBondContact O-N 3.45Å; M16-T19 WeakPolarHBondContact CA-OG1 3.35Å; M16-T19 PolarHBondContact O-N 3.06Å; M16-T19 PolarHBondContact O-OG1 3.17Å; M16-L20 HydrophobicContact CE-CD1 3.8Å; M16-L20 HydrophobicContact CG-CD1 3.7Å; M16-L20 HydrophobicContact CG-CG 4.36Å; M16-L20 WeakPolarHBondContact O-CB 3.29Å; M16-L20 WeakPolarHBondContact O-CG 3.37Å; M16-L20 PolarHBondContact O-N 2.96Å
17F93.6Very high93.3Very high65 Ų6571.2 Ų71.229%0.28538%0.38SS..Hα-helixtrans-57.7-49.1176.2179.7-97.8000111.5V8 S11 N13 V14 L20 R21 W82V8-F17 HydrophobicContact CG1-CD2 4Å; V8-F17 HydrophobicContact CG1-CE2 3.79Å; S11-F17 WeakPolarHBondContact OG-CD2 3.47Å; N13-F17 PolarHBondContact O-N 3.25Å; V14-F17 PolarHBondContact O-N 3.22Å; F17-L20 PolarHBondContact O-N 3.06Å; F17-R21 HydrophobicContact CD1-CG 4.14Å; F17-R21 HydrophobicContact CD2-CG 4.47Å; F17-R21 HydrophobicContact CE1-CG 3.87Å; F17-R21 HydrophobicContact CE2-CG 4.24Å; F17-R21 HydrophobicContact CG-CG 4.45Å; F17-R21 HydrophobicContact CZ-CG 3.94Å; F17-R21 VanDerWaalsContact CZ-NE 3.34Å; F17-R21 WeakPolarHBondContact O-CB 3.09Å; F17-R21 WeakPolarHBondContact O-CG 3.49Å; F17-R21 PolarHBondContact O-N 3.32Å; F17-W82 HydrophobicContact CD2-CZ3 4.38Å; F17-W82 HydrophobicContact CE2-CZ3 4.03Å
18S94.1Very high93.3Very high65 Ų6573.1 Ų73.146%0.45539%0.387SS..Hα-helixtrans-66-42.3-176.7-55.30000112.4V14 T15 M16 F22V14-S18 WeakPolarHBondContact O-CB 3.49Å; V14-S18 PolarHBondContact O-N 2.82Å; V14-S18 PolarHBondContact O-OG 2.96Å; T15-S18 PolarHBondContact O-N 3.4Å; M16-S18 PolarHBondContact O-N 3.45Å; S18-F22 PolarHBondContact O-N 3.07Å
19T95.6Very high93.2Very high75 Ų7576.1 Ų76.146%0.4641%0.411SS..Hα-helixtrans-67-42.5177.750.50000111.8T15 M16 F22 F23T15-T19 WeakPolarHBondContact O-CB 3.46Å; T15-T19 VanDerWaalsContact O-CG2 3.28Å; T15-T19 WeakPolarHBondContact O-CG2 3.31Å; T15-T19 PolarHBondContact O-N 3.12Å; T15-T19 PolarHBondContact O-OG1 3.45Å; M16-T19 WeakPolarHBondContact CA-OG1 3.35Å; M16-T19 PolarHBondContact O-N 3.06Å; M16-T19 PolarHBondContact O-OG1 3.17Å; T19-F22 WeakPolarHBondContact O-CB 3.42Å; T19-F22 PolarHBondContact O-N 2.98Å; T19-F23 WeakPolarHBondContact O-CD2 3.33Å; T19-F23 PolarHBondContact O-N 2.82Å; T19-F23 VanDerWaalsContact O-N 3.16Å
20L95.1Very high93.3Very high22 Ų2277.7 Ų77.712%0.11543%0.428CS..Hα-helixtrans-66-41.3176.7-69.4171.8000112.1F4 S7 V8 M16 F17 F22 F23 E24F4-L20 HydrophobicContact CD1-CD2 3.98Å; S7-L20 WeakPolarHBondContact O-CD1 3.39Å; V8-L20 HydrophobicContact CG2-CB 3.55Å; M16-L20 HydrophobicContact CE-CD1 3.8Å; M16-L20 HydrophobicContact CG-CD1 3.7Å; M16-L20 HydrophobicContact CG-CG 4.36Å; M16-L20 WeakPolarHBondContact O-CB 3.29Å; M16-L20 WeakPolarHBondContact O-CG 3.37Å; M16-L20 PolarHBondContact O-N 2.96Å; F17-L20 PolarHBondContact O-N 3.06Å; L20-F22 VanDerWaalsContact C-N 3.29Å; L20-F22 PolarHBondContact O-N 2.85Å; L20-F23 PolarHBondContact O-N 3.38Å; L20-E24 WeakPolarHBondContact O-CB 3.41Å; L20-E24 PolarHBondContact O-N 2.86Å
21R93.1Very high93.3Very high92 Ų9274.1 Ų74.135%0.34742%0.415SS..Hα-helixtrans-59.9-38173.2-76.7-67.8-166.9176.9-1.6112.5V8 F17 E24 G25V8-R21 HydrophobicContact CG1-CG 4.41Å; V8-R21 HydrophobicContact CG2-CG 4.42Å; F17-R21 HydrophobicContact CD1-CG 4.14Å; F17-R21 HydrophobicContact CD2-CG 4.47Å; F17-R21 HydrophobicContact CE1-CG 3.87Å; F17-R21 HydrophobicContact CE2-CG 4.24Å; F17-R21 HydrophobicContact CG-CG 4.45Å; F17-R21 HydrophobicContact CZ-CG 3.94Å; F17-R21 VanDerWaalsContact CZ-NE 3.34Å; F17-R21 WeakPolarHBondContact O-CB 3.09Å; F17-R21 WeakPolarHBondContact O-CG 3.49Å; F17-R21 PolarHBondContact O-N 3.32Å; R21-E24 VanDerWaalsContact CD-OE2 3.24Å; R21-E24 WeakPolarHBondContact CD-OE2 3.29Å; R21-E24 IonicContact CZ-OE2 2.96Å; R21-E24 IonicContact NE-OE2 3.85Å; R21-E24 IonicContact NH1-OE2 2.97Å; R21-E24 PolarHBondContact NH1-OE2 3.36Å; R21-E24 VanDerWaalsContact NH1-OE2 3.08Å; R21-E24 PolarHBondContact O-N 3.32Å; R21-G25 PolarHBondContact O-N 3.43Å
22F94.5Very high93.3Very high141 Ų14176 Ų7662%0.61843%0.431SS*.Hα-helixtrans-62.1-49.6174.9173.9-95.2000111.7S18 T19 L20 E24 G25 F26S18-F22 PolarHBondContact O-N 3.07Å; T19-F22 WeakPolarHBondContact O-CB 3.42Å; T19-F22 PolarHBondContact O-N 2.98Å; L20-F22 VanDerWaalsContact C-N 3.29Å; L20-F22 PolarHBondContact O-N 2.85Å; F22-E24 VanDerWaalsContact C-N 3.35Å; F22-E24 PolarHBondContact O-N 3.33Å; F22-G25 PolarHBondContact O-N 3.16Å; F22-F26 PolarHBondContact O-N 3.01Å
23F95.4Very high93.3Very high93 Ų9372.2 Ų72.241%0.40841%0.407SS..Hα-helixtrans-67.9-33.6178-72.1-64.9000113.1F4 T19 L20 C27F4-F23 HydrophobicContact CD1-CB 3.97Å; F4-F23 HydrophobicContact CD2-CB 4.09Å; F4-F23 HydrophobicContact CE1-CB 4.08Å; F4-F23 HydrophobicContact CE1-CD2 4.47Å; F4-F23 HydrophobicContact CE1-CG 4.32Å; F4-F23 HydrophobicContact CE2-CB 4.2Å; F4-F23 HydrophobicContact CG-CB 3.99Å; F4-F23 HydrophobicContact CZ-CB 4.2Å; F4-F23 HydrophobicContact CZ-CG 4.39Å; T19-F23 WeakPolarHBondContact O-CD2 3.33Å; T19-F23 PolarHBondContact O-N 2.82Å; T19-F23 VanDerWaalsContact O-N 3.16Å; L20-F23 PolarHBondContact O-N 3.38Å; F23-C27 WeakPolarHBondContact O-CB 3.43Å; F23-C27 PolarHBondContact O-N 2.65Å; F23-C27 PolarHBondContact O-SG 3.14Å
24E93.4Very high93.1Very high16 Ų1671 Ų718%0.07541%0.406CS..Hα-helixtrans-58.5-52170.3-174.5-172.4-158.600110.6M1 L20 R21 F22 F26 C27 L28 Q86M1-E24 HydrophobicContact CE-CG 3.43Å; M1-E24 VanDerWaalsContact CE-CG 3.43Å; M1-E24 WeakPolarHBondContact CE-OE1 3.46Å; M1-E24 HydrophobicContact SD-CB 4.48Å; M1-E24 HydrophobicContact SD-CG 3.52Å; M1-E24 VanDerWaalsContact SD-CG 3.52Å; L20-E24 WeakPolarHBondContact O-CB 3.41Å; L20-E24 PolarHBondContact O-N 2.86Å; R21-E24 VanDerWaalsContact CD-OE2 3.24Å; R21-E24 WeakPolarHBondContact CD-OE2 3.29Å; R21-E24 IonicContact CZ-OE2 2.96Å; R21-E24 IonicContact NE-OE2 3.85Å; R21-E24 IonicContact NH1-OE2 2.97Å; R21-E24 PolarHBondContact NH1-OE2 3.36Å; R21-E24 VanDerWaalsContact NH1-OE2 3.08Å; R21-E24 PolarHBondContact O-N 3.32Å; F22-E24 VanDerWaalsContact C-N 3.35Å; F22-E24 PolarHBondContact O-N 3.33Å; E24-F26 PolarHBondContact O-N 2.67Å; E24-C27 WeakPolarHBondContact O-CB 3.45Å; E24-C27 PolarHBondContact O-N 3.41Å; E24-L28 WeakPolarHBondContact O-CB 3.49Å; E24-L28 PolarHBondContact O-N 3.02Å; E24-Q86 PolarHBondContact OE1-NE2 3.4Å
25G92.4Very high93Very high36 Ų3668.7 Ų68.737%0.37139%0.389SS..Hα-helixtrans-60.7-41.8177.400000113.2R21 F22 C27 L28 A29R21-G25 PolarHBondContact O-N 3.43Å; F22-G25 PolarHBondContact O-N 3.16Å; G25-C27 PolarHBondContact O-N 3.06Å; G25-L28 PolarHBondContact O-N 3.34Å; G25-A29 PolarHBondContact O-N 3.17Å
26F92.9Very high92.8Very high151 Ų15165 Ų6566%0.66236%0.363SS*.Hα-helixtrans-58.9-47174178.3-95.2000111.9F22 E24 L28 A29 G30F22-F26 PolarHBondContact O-N 3.01Å; E24-F26 PolarHBondContact O-N 2.67Å; F26-L28 VanDerWaalsContact C-N 3.34Å; F26-L28 PolarHBondContact O-N 2.95Å; F26-A29 PolarHBondContact O-N 2.99Å; F26-G30 PolarHBondContact O-N 3.2Å; F26-G30 VanDerWaalsContact O-N 3.15Å
27C93Very high92.6Very high33 Ų3362.7 Ų62.722%0.22335%0.353CS..Hα-helixtrans-62.6-41.6176.2-70.60000112.1M1 F23 E24 G25 G30 L31M1-C27 HydrophobicContact CB-CB 4.04Å; M1-C27 PolarHBondContact N-SG 3.14Å; M1-C27 HydrophobicContact SD-CB 4.23Å; F23-C27 WeakPolarHBondContact O-CB 3.43Å; F23-C27 PolarHBondContact O-N 2.65Å; F23-C27 PolarHBondContact O-SG 3.14Å; E24-C27 WeakPolarHBondContact O-CB 3.45Å; E24-C27 PolarHBondContact O-N 3.41Å; G25-C27 PolarHBondContact O-N 3.06Å; C27-G30 PolarHBondContact O-N 3.42Å; C27-L31 WeakPolarHBondContact O-CB 3.21Å; C27-L31 PolarHBondContact O-N 3.08Å
28L91.4Very high92.4Very high81 Ų8161.4 Ų61.442%0.42435%0.349SS..Hα-helixtrans-64.5-41.1-179.8-176.864.4000111.5M1 E24 G25 F26 L31 A32 F93M1-L28 HydrophobicContact CE-CB 4.43Å; M1-L28 HydrophobicContact CE-CD1 4.4Å; M1-L28 HydrophobicContact SD-CB 4.33Å; E24-L28 WeakPolarHBondContact O-CB 3.49Å; E24-L28 PolarHBondContact O-N 3.02Å; G25-L28 PolarHBondContact O-N 3.34Å; F26-L28 VanDerWaalsContact C-N 3.34Å; F26-L28 PolarHBondContact O-N 2.95Å; L28-L31 PolarHBondContact O-N 3.42Å; L28-A32 VanDerWaalsContact O-CB 3.32Å; L28-A32 WeakPolarHBondContact O-CB 3.3Å; L28-A32 PolarHBondContact O-N 3.29Å; L28-F93 HydrophobicContact CD1-CZ 4.5Å
29A91.9Very high92.2Very high62 Ų6261.8 Ų61.851%0.51234%0.341SS..Hα-helixtrans-62-44.9175.400000111.8G25 F26 A32 L33G25-A29 PolarHBondContact O-N 3.17Å; F26-A29 PolarHBondContact O-N 2.99Å; A29-A32 PolarHBondContact O-N 2.67Å; A29-L33 WeakPolarHBondContact O-CB 3.29Å; A29-L33 PolarHBondContact O-N 3.35Å
30G92.1Very high91.7Very high35 Ų3558.2 Ų58.236%0.36132%0.319SS..Hα-helixtrans-60.7-46174.900000112.3F26 C27 L33 S34F26-G30 PolarHBondContact O-N 3.2Å; F26-G30 VanDerWaalsContact O-N 3.15Å; C27-G30 PolarHBondContact O-N 3.42Å; G30-L33 PolarHBondContact O-N 2.85Å; G30-S34 PolarHBondContact O-N 3.38Å; G30-S34 PolarHBondContact O-OG 3.02Å
31L90.9Very high91.3Very high61 Ų6157.7 Ų57.732%0.31932%0.316SS..Hα-helixtrans-62-45.3177.4-177.766.7000111.9C27 L28 L33 S34 L35 F93C27-L31 WeakPolarHBondContact O-CB 3.21Å; C27-L31 PolarHBondContact O-N 3.08Å; L28-L31 PolarHBondContact O-N 3.42Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 3.03Å; L31-S34 PolarHBondContact O-N 3.44Å; L31-L35 HydrophobicContact CD1-CD1 4.01Å; L31-L35 HydrophobicContact CD1-CG 4.1Å; L31-L35 HydrophobicContact CD2-CD1 4.49Å; L31-L35 HydrophobicContact CG-CD1 3.88Å; L31-L35 HydrophobicContact CG-CG 4.33Å; L31-L35 WeakPolarHBondContact O-CB 3.2Å; L31-L35 VanDerWaalsContact O-CG 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.45Å; L31-L35 PolarHBondContact O-N 3.32Å; L31-F93 HydrophobicContact CD2-CD1 4.02Å; L31-F93 HydrophobicContact CD2-CE1 3.48Å; L31-F93 VanDerWaalsContact CD2-CE1 3.48Å
32A90.7Very high90.9Very high53 Ų5357 Ų5744%0.43832%0.318SS..Hα-helixtrans-60.5-44.2178.500000111.5L28 A29 Y36L28-A32 VanDerWaalsContact O-CB 3.32Å; L28-A32 WeakPolarHBondContact O-CB 3.3Å; L28-A32 PolarHBondContact O-N 3.29Å; A29-A32 PolarHBondContact O-N 2.67Å; A32-Y36 VanDerWaalsContact O-CB 3.29Å; A32-Y36 WeakPolarHBondContact O-CB 3.38Å; A32-Y36 PolarHBondContact O-N 2.91Å
33L92.9Very high90.3Very high39 Ų3951.4 Ų51.420%0.20430%0.297CS..Hα-helixtrans-61.8-51.4176175.964000111.5A29 G30 L31 L35 Y36 V37 L310 L314A29-L33 WeakPolarHBondContact O-CB 3.29Å; A29-L33 PolarHBondContact O-N 3.35Å; G30-L33 PolarHBondContact O-N 2.85Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 3.03Å; L33-L35 PolarHBondContact O-N 3.31Å; L33-Y36 PolarHBondContact O-N 3.05Å; L33-V37 HydrophobicContact CD1-CG2 4.3Å; L33-V37 WeakPolarHBondContact O-CG2 3.37Å; L33-V37 PolarHBondContact O-N 3.42Å; L33-L310 HydrophobicContact CD1-CB 3.85Å; L33-L310 HydrophobicContact CD1-CD2 3.67Å; L33-L310 HydrophobicContact CD1-CG 3.72Å; L33-L314 HydrophobicContact CB-CD1 4.33Å; L33-L314 HydrophobicContact CD1-CD1 3.94Å
34S90.4Very high89.5Confident76 Ų7652.9 Ų52.953%0.53131%0.308SS..Hα-helixtrans-60.9-45.2-179-65.60000112.4G30 L31 Y36 V37 L38G30-S34 PolarHBondContact O-N 3.38Å; G30-S34 PolarHBondContact O-OG 3.02Å; L31-S34 PolarHBondContact O-N 3.44Å; S34-Y36 VanDerWaalsContact C-N 3.3Å; S34-Y36 PolarHBondContact O-N 3.5Å; S34-V37 PolarHBondContact O-N 3.42Å; S34-L38 VanDerWaalsContact O-CB 3.3Å; S34-L38 WeakPolarHBondContact O-CB 3.49Å; S34-L38 PolarHBondContact O-N 3.14Å
35L90Very high88.5Confident70 Ų7055.6 Ų55.637%0.36633%0.327SS..Hα-helixtrans-64.2-36.3177.8-72.3176.1000112.1L31 L33 R39L31-L35 HydrophobicContact CD1-CD1 4.01Å; L31-L35 HydrophobicContact CD1-CG 4.1Å; L31-L35 HydrophobicContact CD2-CD1 4.49Å; L31-L35 HydrophobicContact CG-CD1 3.88Å; L31-L35 HydrophobicContact CG-CG 4.33Å; L31-L35 WeakPolarHBondContact O-CB 3.2Å; L31-L35 VanDerWaalsContact O-CG 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.45Å; L31-L35 PolarHBondContact O-N 3.32Å; L33-L35 PolarHBondContact O-N 3.31Å; L35-R39 VanDerWaalsContact O-CB 3.31Å; L35-R39 WeakPolarHBondContact O-CB 3.15Å; L35-R39 PolarHBondContact O-N 2.94Å
36Y91.3Very high87.5Confident29 Ų2957.4 Ų57.411%0.11435%0.346CS..Hα-helixtrans-67.5-45.9177.8-165.7-78.5000111.7A32 L33 S34 R39 I40 T52 I294 F295 A298 L310A32-Y36 VanDerWaalsContact O-CB 3.29Å; A32-Y36 WeakPolarHBondContact O-CB 3.38Å; A32-Y36 PolarHBondContact O-N 2.91Å; L33-Y36 PolarHBondContact O-N 3.05Å; S34-Y36 VanDerWaalsContact C-N 3.3Å; S34-Y36 PolarHBondContact O-N 3.5Å; Y36-R39 PolarHBondContact O-N 3.48Å; Y36-I40 HydrophobicContact CD1-CD1 3.76Å; Y36-I40 HydrophobicContact CE1-CD1 3.21Å; Y36-I40 HydrophobicContact CE1-CG1 4.3Å; Y36-I40 PolarHBondContact O-N 3.31Å; Y36-T52 HydrophobicContact CE2-CG2 3.88Å; Y36-I294 HydrophobicContact CE1-CG2 4.24Å; Y36-I294 HydrophobicContact CE2-CG2 4.04Å; Y36-F295 VanDerWaalsContact OH-CA 3.25Å; Y36-F295 WeakPolarHBondContact OH-CA 3.4Å; Y36-F295 PolarHBondContact OH-N 2.84Å; Y36-A298 HydrophobicContact CD1-CB 4.47Å; Y36-A298 HydrophobicContact CE1-CB 3.72Å; Y36-L310 HydrophobicContact CD1-CD1 4.31Å; Y36-L310 HydrophobicContact CD1-CD2 3.25Å; Y36-L310 HydrophobicContact CD1-CG 4.39Å; Y36-L310 HydrophobicContact CE1-CD1 4.1Å; Y36-L310 HydrophobicContact CE1-CD2 3.84Å; Y36-L310 HydrophobicContact CG-CD2 3.98Å
37V90.4Very high87Confident22 Ų2257.7 Ų57.713%0.13334%0.342CS..Hα-helixtrans-61.1-50.6176.2174.10000110.6L33 S34 R39 I40 E41 R306 L310L33-V37 HydrophobicContact CD1-CG2 4.3Å; L33-V37 WeakPolarHBondContact O-CG2 3.37Å; L33-V37 PolarHBondContact O-N 3.42Å; S34-V37 PolarHBondContact O-N 3.42Å; V37-R39 VanDerWaalsContact C-N 3.28Å; V37-R39 PolarHBondContact O-N 2.91Å; V37-I40 PolarHBondContact O-N 3.25Å; V37-E41 HydrophobicContact CG1-CG 4.31Å; V37-E41 WeakPolarHBondContact CG1-OE1 3.41Å; V37-E41 WeakPolarHBondContact O-CB 3.33Å; V37-E41 WeakPolarHBondContact O-CG 3.42Å; V37-E41 PolarHBondContact O-N 3.25Å; V37-R306 HydrophobicContact CG2-CG 4.38Å; V37-L310 HydrophobicContact CG2-CD2 3.88Å
38L88.4Confident86.6Confident37 Ų3756.7 Ų56.719%0.19433%0.334CS..Hα-helixtrans-57.1-42.9-179.4-17567.4000111.4S34 I40 E41 L42S34-L38 VanDerWaalsContact O-CB 3.3Å; S34-L38 WeakPolarHBondContact O-CB 3.49Å; S34-L38 PolarHBondContact O-N 3.14Å; L38-I40 PolarHBondContact O-N 3.2Å; L38-E41 PolarHBondContact O-N 2.74Å; L38-L42 HydrophobicContact CD1-CD1 3.76Å; L38-L42 HydrophobicContact CD1-CG 3.99Å; L38-L42 HydrophobicContact CD2-CD1 4.3Å; L38-L42 HydrophobicContact CG-CD1 3.67Å; L38-L42 HydrophobicContact CG-CG 4.24Å; L38-L42 WeakPolarHBondContact O-CB 3.23Å; L38-L42 VanDerWaalsContact O-CG 3.27Å; L38-L42 WeakPolarHBondContact O-CG 3.37Å; L38-L42 PolarHBondContact O-N 3.08Å
39R89.6Confident86.4Confident73 Ų7354.4 Ų54.428%0.27532%0.321SS..Hα-helixtrans-57.8-50.8177.3-176-172.3-55.4147.85.6112.1L35 Y36 V37 E41 C43 M51L35-R39 VanDerWaalsContact O-CB 3.31Å; L35-R39 WeakPolarHBondContact O-CB 3.15Å; L35-R39 PolarHBondContact O-N 2.94Å; Y36-R39 PolarHBondContact O-N 3.48Å; V37-R39 VanDerWaalsContact C-N 3.28Å; V37-R39 PolarHBondContact O-N 2.91Å; R39-E41 VanDerWaalsContact C-N 3.28Å; R39-E41 PolarHBondContact O-N 3.2Å; R39-C43 WeakPolarHBondContact O-CB 3.01Å; R39-C43 PolarHBondContact O-N 3.09Å; R39-C43 VanDerWaalsContact O-N 3.14Å; R39-C43 PolarHBondContact O-SG 3.38Å; R39-M51 HydrophobicContact CG-CB 4.41Å
40I86.7Confident86.1Confident1 Ų153.7 Ų53.71%0.00531%0.312CS..Hα-helixtrans-68.4-32.8-176.5-70.9178.8000111.5Y36 V37 L38 R108 A298Y36-I40 HydrophobicContact CD1-CD1 3.76Å; Y36-I40 HydrophobicContact CE1-CD1 3.21Å; Y36-I40 HydrophobicContact CE1-CG1 4.3Å; Y36-I40 PolarHBondContact O-N 3.31Å; V37-I40 PolarHBondContact O-N 3.25Å; L38-I40 PolarHBondContact O-N 3.2Å; I40-R108 PolarHBondContact O-NH1 3.47Å; I40-A298 HydrophobicContact CD1-CB 3.36Å
41E86.6Confident85.9Confident11 Ų1155.8 Ų55.85%0.05131%0.313CS..Hα-helixtrans-77.1-36.6-178.8-70.6-176.1-179.700113.4V37 L38 R39 S106 R108 R306V37-E41 HydrophobicContact CG1-CG 4.31Å; V37-E41 WeakPolarHBondContact CG1-OE1 3.41Å; V37-E41 WeakPolarHBondContact O-CB 3.33Å; V37-E41 WeakPolarHBondContact O-CG 3.42Å; V37-E41 PolarHBondContact O-N 3.25Å; L38-E41 PolarHBondContact O-N 2.74Å; R39-E41 VanDerWaalsContact C-N 3.28Å; R39-E41 PolarHBondContact O-N 3.2Å; E41-S106 WeakPolarHBondContact CB-OG 3.3Å; E41-S106 WeakPolarHBondContact OE2-CB 3.38Å; E41-S106 PolarHBondContact OE2-OG 2.94Å; E41-R108 PolarHBondContact O-NH1 3.39Å; E41-R306 IonicContact OE1-CZ 3.98Å; E41-R306 IonicContact OE1-NH1 2.99Å; E41-R306 PolarHBondContact OE1-NH1 3.4Å
42L84.3Confident85.8Confident76 Ų7653.2 Ų53.240%0.39830%0.3SS..Hα-helixtrans-74.9-28.4175.7-68.7176.4000112.6L38 F103L38-L42 HydrophobicContact CD1-CD1 3.76Å; L38-L42 HydrophobicContact CD1-CG 3.99Å; L38-L42 HydrophobicContact CD2-CD1 4.3Å; L38-L42 HydrophobicContact CG-CD1 3.67Å; L38-L42 HydrophobicContact CG-CG 4.24Å; L38-L42 WeakPolarHBondContact O-CB 3.23Å; L38-L42 VanDerWaalsContact O-CG 3.27Å; L38-L42 WeakPolarHBondContact O-CG 3.37Å; L38-L42 PolarHBondContact O-N 3.08Å; L42-F103 HydrophobicContact CD1-CD1 4.18Å; L42-F103 HydrophobicContact CD1-CE1 4.39Å
43C82.4Confident85.8Confident24 Ų2451.1 Ų51.116%0.16228%0.281CS..SBendtrans-77.2144.9-178.8-67.30000113.4R39 R48 M51 R108R39-C43 WeakPolarHBondContact O-CB 3.01Å; R39-C43 PolarHBondContact O-N 3.09Å; R39-C43 VanDerWaalsContact O-N 3.14Å; R39-C43 PolarHBondContact O-SG 3.38Å; C43-R48 HydrophobicContact CB-CG 3.94Å; C43-M51 VanDerWaalsContact SG-CG 3.57Å; C43-R108 PolarHBondContact O-NH1 2.95Å; C43-R108 PolarHBondContact O-NH2 3.47Å
44L78.4Confident85.7Confident124 Ų12452.6 Ų52.665%0.64929%0.292SS*.  trans-66.6148.2167.2-71.7100.9000110.6G46 W47 R48L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 3.47Å; L44-G46 VanDerWaalsContact O-N 3.14Å; L44-W47 PolarHBondContact O-N 3.42Å; L44-R48 WeakPolarHBondContact O-CG 3.4Å; L44-R48 PolarHBondContact O-N 3.4Å
45P71.6Confident85.7Confident74 Ų7449.9 Ų49.948%0.48127%0.274SS..G310 helixtrans-47.8-44.7-175.7-2630.6000115.2W47P45-W47 VanDerWaalsContact C-N 3.3Å; P45-W47 PolarHBondContact O-N 3.41Å
46G72Confident85.7Confident73 Ų7347.7 Ų47.775%0.75327%0.265SS*.G310 helixtrans-66.9-26.1-17900000114.6L44L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 3.47Å; L44-G46 VanDerWaalsContact O-N 3.14Å
47W81.3Confident85.7Confident157 Ų15749.6 Ų49.660%0.59527%0.274SS*.G310 helixtrans-101.5-7.4-174.8-69.191.2000113.9L44 P45 F49 S50 M51L44-W47 PolarHBondContact O-N 3.42Å; P45-W47 VanDerWaalsContact C-N 3.3Å; P45-W47 PolarHBondContact O-N 3.41Å; W47-F49 VanDerWaalsContact C-N 3.35Å; W47-F49 PolarHBondContact O-N 3.21Å; W47-S50 PolarHBondContact O-N 3Å; W47-M51 HydrophobicContact CE3-CE 4.34Å; W47-M51 WeakPolarHBondContact O-CB 3.44Å; W47-M51 WeakPolarHBondContact O-CG 3.45Å; W47-M51 PolarHBondContact O-N 3.13Å
48R86.1Confident85.8Confident12 Ų1254.7 Ų54.75%0.04530%0.3CS..Hα-helixtrans-55.7-46.4-175.8-72.5174.6-173.8148.73.4113.2C43 L44 T52 R108 L364C43-R48 HydrophobicContact CB-CG 3.94Å; L44-R48 WeakPolarHBondContact O-CG 3.4Å; L44-R48 PolarHBondContact O-N 3.4Å; R48-T52 WeakPolarHBondContact O-CB 3.34Å; R48-T52 PolarHBondContact O-N 2.9Å; R48-T52 PolarHBondContact O-OG1 3.49Å; R48-R108 VanDerWaalsContact NH2-CZ 3.27Å; R48-L364 VanDerWaalsContact NH1-CG 3.34Å
49F85.4Confident85.8Confident34 Ų3460 Ų6015%0.14932%0.321CS..Hα-helixtrans-67.7-46.7-179.1179.3-96.5000111.2W47 M51 T52 M53 L221 V225 L292 F295W47-F49 VanDerWaalsContact C-N 3.35Å; W47-F49 PolarHBondContact O-N 3.21Å; F49-M51 PolarHBondContact O-N 3.37Å; F49-T52 PolarHBondContact O-N 3.29Å; F49-M53 HydrophobicContact CE1-CE 3.9Å; F49-M53 HydrophobicContact CE2-CE 3.87Å; F49-M53 HydrophobicContact CZ-CE 3.31Å; F49-M53 PolarHBondContact O-N 2.84Å; F49-L221 HydrophobicContact CZ-CB 4.32Å; F49-V225 HydrophobicContact CD2-CG1 4.11Å; F49-V225 HydrophobicContact CD2-CG2 4.43Å; F49-V225 HydrophobicContact CE1-CB 4.19Å; F49-V225 HydrophobicContact CE1-CG1 4.48Å; F49-V225 HydrophobicContact CE1-CG2 4.5Å; F49-V225 HydrophobicContact CE2-CB 4Å; F49-V225 HydrophobicContact CE2-CG1 4.05Å; F49-V225 HydrophobicContact CE2-CG2 3.6Å; F49-V225 HydrophobicContact CG-CG1 4.33Å; F49-V225 HydrophobicContact CZ-CB 3.79Å; F49-V225 HydrophobicContact CZ-CG1 4.23Å; F49-V225 HydrophobicContact CZ-CG2 3.62Å; F49-L292 HydrophobicContact CE2-CD2 4.44Å; F49-F295 HydrophobicContact CB-CE1 4.38Å; F49-F295 HydrophobicContact CB-CE2 4.19Å; F49-F295 HydrophobicContact CB-CZ 3.72Å; F49-F295 HydrophobicContact CD2-CD1 4.12Å; F49-F295 HydrophobicContact CD2-CD2 4.41Å; F49-F295 AromaticContact CD2-CE1 3.8Å; F49-F295 HydrophobicContact CD2-CE1 3.8Å; F49-F295 HydrophobicContact CD2-CE2 4.11Å; F49-F295 HydrophobicContact CD2-CG 4.41Å; F49-F295 AromaticContact CD2-CZ 3.8Å; F49-F295 HydrophobicContact CD2-CZ 3.8Å; F49-F295 HydrophobicContact CG-CZ 4.26Å
50S86.8Confident85.9Confident47 Ų4756.9 Ų56.933%0.32931%0.31SS..Hα-helixtrans-57.7-47.4176.9179.80000111.7W47 T52 M53 V54W47-S50 PolarHBondContact O-N 3Å; S50-T52 VanDerWaalsContact C-N 3.32Å; S50-T52 PolarHBondContact O-N 3.14Å; S50-M53 WeakPolarHBondContact O-CA 3.49Å; S50-M53 WeakPolarHBondContact O-CB 3.38Å; S50-M53 PolarHBondContact O-N 3.24Å; S50-V54 WeakPolarHBondContact O-CG2 3.25Å; S50-V54 PolarHBondContact O-N 3.01Å
51M88.1Confident86.1Confident78 Ų7858.6 Ų58.638%0.38433%0.328SS..Hα-helixtrans-65.3-34.8178.6-70.8-68.5156.800112.7R39 C43 W47 F49 M53 A55R39-M51 HydrophobicContact CG-CB 4.41Å; C43-M51 VanDerWaalsContact SG-CG 3.57Å; W47-M51 HydrophobicContact CE3-CE 4.34Å; W47-M51 WeakPolarHBondContact O-CB 3.44Å; W47-M51 WeakPolarHBondContact O-CG 3.45Å; W47-M51 PolarHBondContact O-N 3.13Å; F49-M51 PolarHBondContact O-N 3.37Å; M51-M53 VanDerWaalsContact C-N 3.31Å; M51-A55 PolarHBondContact O-N 3.14Å
52T88.4Confident86.2Confident8 Ų860.1 Ų60.15%0.04935%0.346CS..Hα-helixtrans-65-39.5172.5-550000110.8Y36 R48 F49 S50 A55 S56 F295Y36-T52 HydrophobicContact CE2-CG2 3.88Å; R48-T52 WeakPolarHBondContact O-CB 3.34Å; R48-T52 PolarHBondContact O-N 2.9Å; R48-T52 PolarHBondContact O-OG1 3.49Å; F49-T52 PolarHBondContact O-N 3.29Å; S50-T52 VanDerWaalsContact C-N 3.32Å; S50-T52 PolarHBondContact O-N 3.14Å; T52-A55 PolarHBondContact O-N 3.07Å; T52-S56 PolarHBondContact O-N 3.14Å; T52-S56 PolarHBondContact O-OG 3.43Å; T52-F295 HydrophobicContact CG2-CD2 4.11Å
53M90Very high86.4Confident8 Ų859.2 Ų59.24%0.03934%0.34CS..Hα-helixtrans-69.4-41.6178.5-157.762.366.600113.1F49 S50 M51 A55 S56 F57 C218 L221F49-M53 HydrophobicContact CE1-CE 3.9Å; F49-M53 HydrophobicContact CE2-CE 3.87Å; F49-M53 HydrophobicContact CZ-CE 3.31Å; F49-M53 PolarHBondContact O-N 2.84Å; S50-M53 WeakPolarHBondContact O-CA 3.49Å; S50-M53 WeakPolarHBondContact O-CB 3.38Å; S50-M53 PolarHBondContact O-N 3.24Å; M51-M53 VanDerWaalsContact C-N 3.31Å; M53-A55 PolarHBondContact O-N 3.29Å; M53-S56 WeakPolarHBondContact O-CA 3.28Å; M53-S56 WeakPolarHBondContact O-CB 3.43Å; M53-S56 PolarHBondContact O-N 3.36Å; M53-F57 HydrophobicContact CG-CD2 4Å; M53-F57 HydrophobicContact CG-CE2 3.58Å; M53-F57 HydrophobicContact CG-CZ 4.44Å; M53-F57 WeakPolarHBondContact O-CD2 3.39Å; M53-F57 PolarHBondContact O-N 2.97Å; M53-C218 HydrophobicContact CG-CB 4.41Å; M53-C218 HydrophobicContact SD-CB 3.63Å; M53-C218 VanDerWaalsContact SD-O 3.42Å; M53-L221 HydrophobicContact CE-CB 3.49Å; M53-L221 VanDerWaalsContact CE-CB 3.49Å; M53-L221 HydrophobicContact CE-CD1 4.01Å; M53-L221 HydrophobicContact CE-CG 4.42Å
54V91.4Very high86.8Confident71 Ų7161.1 Ų61.143%0.4335%0.348SS..Hα-helixtrans-54.6-44.5174170.50000110.5S50 F57 L58S50-V54 WeakPolarHBondContact O-CG2 3.25Å; S50-V54 PolarHBondContact O-N 3.01Å; V54-F57 WeakPolarHBondContact O-CB 3.04Å; V54-F57 PolarHBondContact O-N 3.18Å; V54-L58 HydrophobicContact CG1-CD1 4.45Å; V54-L58 WeakPolarHBondContact O-CG 3.42Å; V54-L58 PolarHBondContact O-N 3.49Å
55A90.8Very high87.3Confident18 Ų1860.7 Ų60.715%0.14935%0.346CS..Hα-helixtrans-69.4-32.9177.100000114M51 T52 M53 F57 L58 K59M51-A55 PolarHBondContact O-N 3.14Å; T52-A55 PolarHBondContact O-N 3.07Å; M53-A55 PolarHBondContact O-N 3.29Å; A55-F57 VanDerWaalsContact C-N 3.34Å; A55-L58 PolarHBondContact O-N 2.95Å; A55-K59 PolarHBondContact O-N 3.2Å
56S89.8Confident88.1Confident25 Ų2560.2 Ų60.218%0.17534%0.338CS..Hα-helixtrans-62.7-42.2170.4-63.60000111.1T52 M53 L58 K59 V60T52-S56 PolarHBondContact O-N 3.14Å; T52-S56 PolarHBondContact O-OG 3.43Å; M53-S56 WeakPolarHBondContact O-CA 3.28Å; M53-S56 WeakPolarHBondContact O-CB 3.43Å; M53-S56 PolarHBondContact O-N 3.36Å; S56-L58 PolarHBondContact O-N 3.35Å; S56-K59 WeakPolarHBondContact O-CB 3.45Å; S56-K59 PolarHBondContact O-N 3.2Å; S56-V60 WeakPolarHBondContact O-CG2 3.14Å; S56-V60 PolarHBondContact O-N 2.53Å
57F91Very high88.8Confident69 Ų6957.4 Ų57.430%0.30331%0.307SS..Hα-helixtrans-61.5-42.8173.5-76.9-64.6000112.3M53 V54 A55 K59 V60 G61 V215 C218 L219M53-F57 HydrophobicContact CG-CD2 4Å; M53-F57 HydrophobicContact CG-CE2 3.58Å; M53-F57 HydrophobicContact CG-CZ 4.44Å; M53-F57 WeakPolarHBondContact O-CD2 3.39Å; M53-F57 PolarHBondContact O-N 2.97Å; V54-F57 WeakPolarHBondContact O-CB 3.04Å; V54-F57 PolarHBondContact O-N 3.18Å; A55-F57 VanDerWaalsContact C-N 3.34Å; F57-K59 VanDerWaalsContact C-N 3.32Å; F57-K59 PolarHBondContact O-N 3.16Å; F57-V60 PolarHBondContact O-N 2.71Å; F57-G61 PolarHBondContact O-N 3.33Å; F57-V215 HydrophobicContact CE1-CG1 4.31Å; F57-C218 HydrophobicContact CD1-CB 4.1Å; F57-C218 HydrophobicContact CE1-CB 3.54Å; F57-C218 HydrophobicContact CE2-CB 4.06Å; F57-C218 HydrophobicContact CZ-CB 3.51Å; F57-L219 HydrophobicContact CE1-CD2 4.11Å; F57-L219 HydrophobicContact CE1-CG 4.06Å; F57-L219 HydrophobicContact CZ-CD2 3.67Å; F57-L219 HydrophobicContact CZ-CG 3.91Å
58L91.8Very high89Confident129 Ų12951.2 Ų51.268%0.67529%0.291SS*.Hα-helixtrans-60.7-41.6175-71.5172.1000111.9V54 A55 S56 G61 G62V54-L58 HydrophobicContact CG1-CD1 4.45Å; V54-L58 WeakPolarHBondContact O-CG 3.42Å; V54-L58 PolarHBondContact O-N 3.49Å; A55-L58 PolarHBondContact O-N 2.95Å; S56-L58 PolarHBondContact O-N 3.35Å; L58-G61 PolarHBondContact O-N 3.47Å; L58-G62 PolarHBondContact O-N 3.11Å
59K90.2Very high89Confident148 Ų14852 Ų5264%0.64330%0.298SS*.Hα-helixtrans-60.8-46.1175.2-176.8-172.6173.8-172.20111.5A55 S56 F57 G62 Q63A55-K59 PolarHBondContact O-N 3.2Å; S56-K59 WeakPolarHBondContact O-CB 3.45Å; S56-K59 PolarHBondContact O-N 3.2Å; F57-K59 VanDerWaalsContact C-N 3.32Å; F57-K59 PolarHBondContact O-N 3.16Å; K59-G62 PolarHBondContact O-N 3.47Å; K59-Q63 PolarHBondContact O-N 2.97Å
60V90.6Very high89.1Confident8 Ų852.1 Ų52.15%0.04831%0.305CS..Hα-helixtrans-69.4-35.5179179.80000111.6S56 F57 G62 Q63 L64 A214 V215S56-V60 WeakPolarHBondContact O-CG2 3.14Å; S56-V60 PolarHBondContact O-N 2.53Å; F57-V60 PolarHBondContact O-N 2.71Å; V60-G62 VanDerWaalsContact C-N 3.33Å; V60-G62 PolarHBondContact O-N 3.3Å; V60-Q63 WeakPolarHBondContact O-CB 3.38Å; V60-Q63 PolarHBondContact O-N 2.82Å; V60-Q63 VanDerWaalsContact O-N 3.15Å; V60-L64 HydrophobicContact CG1-CD1 4.33Å; V60-L64 WeakPolarHBondContact O-CG 3.22Å; V60-L64 PolarHBondContact O-N 2.99Å; V60-A214 HydrophobicContact CG1-CB 4.21Å; V60-A214 HydrophobicContact CG2-CB 3.71Å; V60-V215 HydrophobicContact CB-CG2 4.4Å; V60-V215 HydrophobicContact CG1-CG2 3.36Å
61G90.4Very high89Confident37 Ų3753.8 Ų53.838%0.38131%0.313SS..Hα-helixtrans-60.2-42.6171.700000112F57 L58 Q63 L64 L65F57-G61 PolarHBondContact O-N 3.33Å; L58-G61 PolarHBondContact O-N 3.47Å; G61-Q63 VanDerWaalsContact C-N 3.34Å; G61-Q63 PolarHBondContact O-N 3.24Å; G61-L64 PolarHBondContact O-N 3.32Å; G61-L65 WeakPolarHBondContact O-CB 3.3Å; G61-L65 PolarHBondContact O-N 3.2Å
62G90.3Very high88.9Confident42 Ų4256.4 Ų56.443%0.43333%0.328SS..Hα-helixtrans-61.6-40.2171.900000112.8L58 K59 V60 L65 M66L58-G62 PolarHBondContact O-N 3.11Å; K59-G62 PolarHBondContact O-N 3.47Å; V60-G62 VanDerWaalsContact C-N 3.33Å; V60-G62 PolarHBondContact O-N 3.3Å; G62-L65 PolarHBondContact O-N 3.41Å; G62-M66 PolarHBondContact O-N 3.49Å
63Q88.7Confident88.7Confident57 Ų5756.5 Ų56.527%0.26633%0.329SS..Hα-helixtrans-60.4-52.7173.2-168.5177.5-45.700110.4K59 V60 G61 L65 M66 Y207 A211K59-Q63 PolarHBondContact O-N 2.97Å; V60-Q63 WeakPolarHBondContact O-CB 3.38Å; V60-Q63 PolarHBondContact O-N 2.82Å; V60-Q63 VanDerWaalsContact O-N 3.15Å; G61-Q63 VanDerWaalsContact C-N 3.34Å; G61-Q63 PolarHBondContact O-N 3.24Å; Q63-L65 VanDerWaalsContact C-N 3.26Å; Q63-L65 PolarHBondContact O-N 3.01Å; Q63-M66 VanDerWaalsContact O-CB 3.29Å; Q63-M66 WeakPolarHBondContact O-CB 3.43Å; Q63-M66 PolarHBondContact O-N 3.3Å; Q63-M66 VanDerWaalsContact O-N 3.09Å; Q63-Y207 HydrophobicContact CG-CE1 3.99Å; Q63-Y207 HydrophobicContact CG-CE2 4.25Å; Q63-Y207 WeakPolarHBondContact CG-OH 3.2Å; Q63-Y207 WeakPolarHBondContact O-CE1 3.44Å; Q63-Y207 PolarHBondContact O-OH 3Å; Q63-A211 HydrophobicContact CG-CB 4.42Å
64L89.8Confident88.2Confident64 Ų6464.8 Ų64.834%0.33536%0.36SS..Hα-helixtrans-59.3-33.3179.3-73.5168.8000114V60 G61 M66 P67 Y208 A211 V215V60-L64 HydrophobicContact CG1-CD1 4.33Å; V60-L64 WeakPolarHBondContact O-CG 3.22Å; V60-L64 PolarHBondContact O-N 2.99Å; G61-L64 PolarHBondContact O-N 3.32Å; L64-M66 VanDerWaalsContact C-N 3.35Å; L64-P67 WeakPolarHBondContact O-CD 3.26Å; L64-Y208 HydrophobicContact CD2-CD1 3.86Å; L64-Y208 HydrophobicContact CD2-CE1 4.36Å; L64-A211 HydrophobicContact CD2-CB 3.38Å; L64-A211 HydrophobicContact CG-CB 3.84Å; L64-V215 HydrophobicContact CD1-CG2 4.26Å
65L89.2Confident87.4Confident115 Ų11569.5 Ų69.560%0.60238%0.377SS*.Hα-helixtrans-73.6-26.8179.2-173.765.2000112.7G61 G62 Q63 G68 V69G61-L65 WeakPolarHBondContact O-CB 3.3Å; G61-L65 PolarHBondContact O-N 3.2Å; G62-L65 PolarHBondContact O-N 3.41Å; Q63-L65 VanDerWaalsContact C-N 3.26Å; Q63-L65 PolarHBondContact O-N 3.01Å; L65-G68 PolarHBondContact O-N 2.94Å; L65-V69 HydrophobicContact CD2-CG2 4.34Å; L65-V69 HydrophobicContact CG-CG2 3.89Å; L65-V69 PolarHBondContact O-N 3.02Å
66M87.6Confident86.8Confident65 Ų6575.4 Ų75.432%0.3240%0.395SS..Hα-helixtrans-56.5-45.8-170.2-178.567.6-172.500114.5G62 Q63 L64 G68 V69 A70 L85 I89 Y207G62-M66 PolarHBondContact O-N 3.49Å; Q63-M66 VanDerWaalsContact O-CB 3.29Å; Q63-M66 WeakPolarHBondContact O-CB 3.43Å; Q63-M66 PolarHBondContact O-N 3.3Å; Q63-M66 VanDerWaalsContact O-N 3.09Å; L64-M66 VanDerWaalsContact C-N 3.35Å; M66-G68 VanDerWaalsContact C-N 3.3Å; M66-G68 PolarHBondContact O-N 3.31Å; M66-V69 PolarHBondContact O-N 2.79Å; M66-A70 PolarHBondContact O-N 2.92Å; M66-L85 HydrophobicContact CE-CD1 4.25Å; M66-L85 HydrophobicContact CE-CD2 4.04Å; M66-L85 HydrophobicContact CE-CG 4.34Å; M66-I89 HydrophobicContact CE-CD1 3.49Å; M66-I89 VanDerWaalsContact CE-CD1 3.49Å; M66-I89 HydrophobicContact SD-CD1 3.69Å; M66-I89 HydrophobicContact SD-CG1 4.28Å; M66-Y207 WeakPolarHBondContact CB-OH 3.43Å
67P86.7Confident85.7Confident13 Ų1379.7 Ų79.78%0.08442%0.422CS..Hα-helixtrans-63.5-35.5176.8-20.933.4000112.7L64 A70 T71 Y207 Y208L64-P67 WeakPolarHBondContact O-CD 3.26Å; P67-A70 WeakPolarHBondContact O-CB 3.31Å; P67-A70 PolarHBondContact O-N 3.34Å; P67-T71 WeakPolarHBondContact O-CG2 3.27Å; P67-T71 PolarHBondContact O-N 3.05Å; P67-T71 PolarHBondContact O-OG1 3.39Å; P67-Y207 HydrophobicContact CG-CD1 3.49Å; P67-Y207 VanDerWaalsContact CG-CD1 3.49Å; P67-Y207 HydrophobicContact CG-CE1 3.44Å; P67-Y207 VanDerWaalsContact CG-CE1 3.44Å; P67-Y207 HydrophobicContact CG-CG 4.37Å; P67-Y208 HydrophobicContact CG-CE1 4.33Å
68G85.6Confident84.5Confident27 Ų2783 Ų8328%0.27844%0.442SS..Hα-helixtrans-66.9-38.5176.300000112.4L65 M66 A70 T71 L72L65-G68 PolarHBondContact O-N 2.94Å; M66-G68 VanDerWaalsContact C-N 3.3Å; M66-G68 PolarHBondContact O-N 3.31Å; G68-A70 VanDerWaalsContact C-N 3.33Å; G68-T71 PolarHBondContact O-N 3.05Å; G68-T71 PolarHBondContact O-OG1 2.99Å; G68-L72 VanDerWaalsContact O-CG 3.29Å; G68-L72 WeakPolarHBondContact O-CG 3.31Å; G68-L72 PolarHBondContact O-N 2.96Å; G68-L72 VanDerWaalsContact O-N 3.15Å
69V87.6Confident83.2Confident30 Ų3078.7 Ų78.718%0.18243%0.429CS..Hα-helixtrans-66.5-39.3173.2177.90000110.5L65 M66 T71 L72 C73 L85 V88L65-V69 HydrophobicContact CD2-CG2 4.34Å; L65-V69 HydrophobicContact CG-CG2 3.89Å; L65-V69 PolarHBondContact O-N 3.02Å; M66-V69 PolarHBondContact O-N 2.79Å; V69-T71 PolarHBondContact O-N 3Å; V69-L72 PolarHBondContact O-N 3.09Å; V69-C73 PolarHBondContact O-N 3.35Å; V69-C73 PolarHBondContact O-SG 3.15Å; V69-L85 HydrophobicContact CG1-CD1 3.85Å; V69-V88 HydrophobicContact CG1-CG1 3.72Å
70A87.1Confident82.5Confident36 Ų3676.1 Ų76.130%0.29842%0.422SS..Hα-helixtrans-62.4-41.4177.200000112.6M66 P67 G68 C73 R74 L85M66-A70 PolarHBondContact O-N 2.92Å; P67-A70 WeakPolarHBondContact O-CB 3.31Å; P67-A70 PolarHBondContact O-N 3.34Å; G68-A70 VanDerWaalsContact C-N 3.33Å; A70-C73 PolarHBondContact O-N 3.39Å; A70-R74 PolarHBondContact O-N 3.41Å; A70-L85 HydrophobicContact CB-CD1 4.39Å; A70-L85 HydrophobicContact CB-CD2 4.13Å
71T84.5Confident82.1Confident81 Ų8179 Ų7950%0.49744%0.437SS..Hα-helixtrans-69.1-37177.156.30000112.6P67 G68 V69 R74P67-T71 WeakPolarHBondContact O-CG2 3.27Å; P67-T71 PolarHBondContact O-N 3.05Å; P67-T71 PolarHBondContact O-OG1 3.39Å; G68-T71 PolarHBondContact O-N 3.05Å; G68-T71 PolarHBondContact O-OG1 2.99Å; V69-T71 PolarHBondContact O-N 3Å; T71-R74 PolarHBondContact O-N 2.77Å
72L85.3Confident81.9Confident133 Ų13382.1 Ų82.170%0.69644%0.437SS*.Hα-helixtrans-64.1-40.6174-70.2171.8000111.9G68 V69 R74 H75G68-L72 VanDerWaalsContact O-CG 3.29Å; G68-L72 WeakPolarHBondContact O-CG 3.31Å; G68-L72 PolarHBondContact O-N 2.96Å; G68-L72 VanDerWaalsContact O-N 3.15Å; V69-L72 PolarHBondContact O-N 3.09Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 3.32Å; L72-H75 PolarHBondContact O-N 3.06Å
73C85Confident81.8Confident10 Ų1082.6 Ų82.67%0.06843%0.428CS..Hα-helixtrans-67.8-29.5178.5-65.30000112.6V69 A70 H75 W76 V84 L85V69-C73 PolarHBondContact O-N 3.35Å; V69-C73 PolarHBondContact O-SG 3.15Å; A70-C73 PolarHBondContact O-N 3.39Å; C73-H75 PolarHBondContact O-N 3.15Å; C73-W76 VanDerWaalsContact O-CB 3.24Å; C73-W76 WeakPolarHBondContact O-CB 3.39Å; C73-W76 PolarHBondContact O-N 2.78Å; C73-V84 HydrophobicContact CB-CG1 4.35Å; C73-L85 HydrophobicContact CB-CB 4.25Å
74R79.6Confident81.8Confident182 Ų18281 Ų8169%0.68742%0.422SS*.Hα-helixtrans-66.9-22.5177.3-169.7-179.3173.487-2.5113.7A70 T71 L72 W76 D81A70-R74 PolarHBondContact O-N 3.41Å; T71-R74 PolarHBondContact O-N 2.77Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 3.32Å; R74-W76 VanDerWaalsContact C-N 3.32Å; R74-D81 IonicContact NH1-OD2 2.99Å
75H74.6Confident81.8Confident171 Ų17179.5 Ų79.579%0.79241%0.414SS*.THydrogen-bonded Turntrans-92.36.5178.5-152.678.2000112.5L72 C73L72-H75 PolarHBondContact O-N 3.06Å; C73-H75 PolarHBondContact O-N 3.15Å
76W77.1Confident81.9Confident142 Ų14274.4 Ų74.454%0.53839%0.388SS..  trans-81.6127.7-175.6-169.3-98.8000111.7C73 R74 I78 V84C73-W76 VanDerWaalsContact O-CB 3.24Å; C73-W76 WeakPolarHBondContact O-CB 3.39Å; C73-W76 PolarHBondContact O-N 2.78Å; R74-W76 VanDerWaalsContact C-N 3.32Å; W76-I78 PolarHBondContact O-N 2.93Å; W76-V84 HydrophobicContact CB-CG1 4.42Å; W76-V84 HydrophobicContact CG-CG1 4.21Å
77P67.2Low82Confident114 Ų11474.5 Ų74.574%0.7439%0.389SS*.THydrogen-bonded Turntrans-79.7-6.3-169.126.3-32.1000116.4
78I65.6Low82.2Confident138 Ų13876.6 Ų76.671%0.70840%0.401SS*.THydrogen-bonded Turntrans-11911.8-160.1-68.4151.6000114.9W76W76-I78 PolarHBondContact O-N 2.93Å
79G64.9Low82.5Confident39 Ų3978.2 Ų78.240%0.40240%0.403SS..SBendtrans-175.5178.9174.200000114.9D81G79-D81 PolarHBondContact O-N 3.41Å
80D75.8Confident82.7Confident94 Ų9476.9 Ų76.950%0.50340%0.395SS..  trans-62.6129.6173-74-24.1000110.7W82 Q83 V84D80-W82 PolarHBondContact O-N 3.32Å; D80-Q83 HydrophobicContact CB-CG 4.07Å; D80-Q83 PolarHBondContact O-N 3.16Å; D80-V84 PolarHBondContact O-N 3.49Å
81D81.5Confident82.8Confident68 Ų6878.1 Ų78.136%0.36440%0.401SS..Hα-helixtrans-46.4-40.8-174.9-66-16.6000113.7R74 G79 L85R74-D81 IonicContact NH1-OD2 2.99Å; G79-D81 PolarHBondContact O-N 3.41Å; D81-L85 WeakPolarHBondContact O-CB 3.22Å; D81-L85 PolarHBondContact O-N 3.35Å
82W85.4Confident83Confident103 Ų10377.6 Ų77.639%0.3940%0.399SS..Hα-helixtrans-79-29.5-174.271.4-89.6000113.6F17 D80 Q86F17-W82 HydrophobicContact CD2-CZ3 4.38Å; F17-W82 HydrophobicContact CE2-CZ3 4.03Å; D80-W82 PolarHBondContact O-N 3.32Å; W82-Q86 PolarHBondContact O-N 3.44Å; W82-Q86 VanDerWaalsContact O-N 3.08Å
83Q89.3Confident83.1Confident52 Ų5273.8 Ų73.824%0.24338%0.377CS..Hα-helixtrans-72.9-44.1178.4-64-179.3-1300110.2A9 D80 L85 Q86 I87A9-Q83 HydrophobicContact CB-CB 4.46Å; A9-Q83 VanDerWaalsContact O-CG 3.25Å; A9-Q83 WeakPolarHBondContact O-CG 3.39Å; A9-Q83 PolarHBondContact O-NE2 3.18Å; D80-Q83 HydrophobicContact CB-CG 4.07Å; D80-Q83 PolarHBondContact O-N 3.16Å; Q83-L85 VanDerWaalsContact C-N 3.31Å; Q83-L85 PolarHBondContact O-N 3.13Å; Q83-Q86 WeakPolarHBondContact O-CB 3.45Å; Q83-Q86 PolarHBondContact O-N 3.06Å; Q83-I87 WeakPolarHBondContact O-CG1 3.14Å; Q83-I87 PolarHBondContact O-N 3.3Å
84V88.8Confident83.2Confident24 Ų2476.8 Ų76.815%0.14540%0.395CS..Hα-helixtrans-59.3-46.2175.2179.80000109.8C73 W76 D80 Q86 I87 V88C73-V84 HydrophobicContact CB-CG1 4.35Å; W76-V84 HydrophobicContact CB-CG1 4.42Å; W76-V84 HydrophobicContact CG-CG1 4.21Å; D80-V84 PolarHBondContact O-N 3.49Å; V84-Q86 VanDerWaalsContact C-N 3.34Å; V84-Q86 PolarHBondContact O-N 3.29Å; V84-I87 PolarHBondContact O-N 3.15Å; V84-V88 HydrophobicContact CG1-CG2 4.29Å; V84-V88 VanDerWaalsContact O-CG2 3.27Å; V84-V88 WeakPolarHBondContact O-CG2 3.19Å; V84-V88 PolarHBondContact O-N 3.13Å
85L89.9Confident83.5Confident32 Ų3274.4 Ų74.417%0.16840%0.395CS..Hα-helixtrans-57.4-44.7176-178.859.7000112.3M66 V69 A70 C73 D81 Q83 I87 V88 I89M66-L85 HydrophobicContact CE-CD1 4.25Å; M66-L85 HydrophobicContact CE-CD2 4.04Å; M66-L85 HydrophobicContact CE-CG 4.34Å; V69-L85 HydrophobicContact CG1-CD1 3.85Å; A70-L85 HydrophobicContact CB-CD1 4.39Å; A70-L85 HydrophobicContact CB-CD2 4.13Å; C73-L85 HydrophobicContact CB-CB 4.25Å; D81-L85 WeakPolarHBondContact O-CB 3.22Å; D81-L85 PolarHBondContact O-N 3.35Å; Q83-L85 VanDerWaalsContact C-N 3.31Å; Q83-L85 PolarHBondContact O-N 3.13Å; L85-I87 PolarHBondContact O-N 3.32Å; L85-V88 PolarHBondContact O-N 3.16Å; L85-I89 HydrophobicContact CD1-CD1 3.82Å; L85-I89 HydrophobicContact CD1-CG1 4.3Å; L85-I89 HydrophobicContact CG-CD1 3.82Å; L85-I89 WeakPolarHBondContact O-CD1 3.41Å; L85-I89 VanDerWaalsContact O-CG1 3.24Å; L85-I89 WeakPolarHBondContact O-CG1 3.36Å; L85-I89 PolarHBondContact O-N 3.06Å
86Q90.7Very high83.9Confident9 Ų970.7 Ų70.74%0.04238%0.379CS..Hα-helixtrans-61.5-44.3177.3-176.869.720.800111.6G5 V8 A9 E24 W82 Q83 V84 I89 I90G5-Q86 PolarHBondContact O-NE2 2.98Å; V8-Q86 HydrophobicContact CB-CG 4.31Å; V8-Q86 HydrophobicContact CG1-CG 4.08Å; A9-Q86 HydrophobicContact CB-CB 4.31Å; A9-Q86 HydrophobicContact CB-CG 4.2Å; E24-Q86 PolarHBondContact OE1-NE2 3.4Å; W82-Q86 PolarHBondContact O-N 3.44Å; W82-Q86 VanDerWaalsContact O-N 3.08Å; Q83-Q86 WeakPolarHBondContact O-CB 3.45Å; Q83-Q86 PolarHBondContact O-N 3.06Å; V84-Q86 VanDerWaalsContact C-N 3.34Å; V84-Q86 PolarHBondContact O-N 3.29Å; Q86-I89 PolarHBondContact O-N 3.27Å; Q86-I90 VanDerWaalsContact O-CG1 3.29Å; Q86-I90 WeakPolarHBondContact O-CG1 3.11Å; Q86-I90 PolarHBondContact O-N 3.5Å; Q86-I90 VanDerWaalsContact O-N 3.11Å
87I90.5Very high84.3Confident67 Ų6768.7 Ų68.734%0.34438%0.379SS..Hα-helixtrans-63.6-44.8177.7-66.3167.8000110.8L6 A9 Q83 V84 L85 I89 I90 S91L6-I87 HydrophobicContact CD2-CG1 4.42Å; L6-I87 HydrophobicContact CD2-CG2 4.48Å; A9-I87 HydrophobicContact CB-CD1 4.14Å; A9-I87 HydrophobicContact CB-CG1 3.74Å; Q83-I87 WeakPolarHBondContact O-CG1 3.14Å; Q83-I87 PolarHBondContact O-N 3.3Å; V84-I87 PolarHBondContact O-N 3.15Å; L85-I87 PolarHBondContact O-N 3.32Å; I87-I89 VanDerWaalsContact C-N 3.31Å; I87-I89 PolarHBondContact O-N 2.92Å; I87-I90 PolarHBondContact O-N 2.98Å; I87-S91 PolarHBondContact O-N 3.38Å
88V91.1Very high85.2Confident57 Ų5765.8 Ų65.835%0.34536%0.36SS..Hα-helixtrans-59.8-41.9179.4170.30000111V69 V84 L85 S91 P92V69-V88 HydrophobicContact CG1-CG1 3.72Å; V84-V88 HydrophobicContact CG1-CG2 4.29Å; V84-V88 VanDerWaalsContact O-CG2 3.27Å; V84-V88 WeakPolarHBondContact O-CG2 3.19Å; V84-V88 PolarHBondContact O-N 3.13Å; L85-V88 PolarHBondContact O-N 3.16Å; V88-S91 PolarHBondContact O-N 2.81Å; V88-S91 PolarHBondContact O-OG 2.85Å; V88-P92 WeakPolarHBondContact O-CD 3.5Å
89I90.9Very high85.9Confident61 Ų6163.6 Ų63.631%0.31334%0.343SS..Hα-helixtrans-70.1-32.2178.9-66.8161.8000112.3M66 L85 Q86 I87 P92M66-I89 HydrophobicContact CE-CD1 3.49Å; M66-I89 VanDerWaalsContact CE-CD1 3.49Å; M66-I89 HydrophobicContact SD-CD1 3.69Å; M66-I89 HydrophobicContact SD-CG1 4.28Å; L85-I89 HydrophobicContact CD1-CD1 3.82Å; L85-I89 HydrophobicContact CD1-CG1 4.3Å; L85-I89 HydrophobicContact CG-CD1 3.82Å; L85-I89 WeakPolarHBondContact O-CD1 3.41Å; L85-I89 VanDerWaalsContact O-CG1 3.24Å; L85-I89 WeakPolarHBondContact O-CG1 3.36Å; L85-I89 PolarHBondContact O-N 3.06Å; Q86-I89 PolarHBondContact O-N 3.27Å; I87-I89 VanDerWaalsContact C-N 3.31Å; I87-I89 PolarHBondContact O-N 2.92Å; I89-P92 WeakPolarHBondContact O-CD 3.44Å
90I91.7Very high86.7Confident2 Ų267.3 Ų67.31%0.0136%0.358CS..Hα-helixtrans-79.2-27.7178.2-64.7-64.6000112M1 L2 L6 Q86 I87 F93M1-I90 HydrophobicContact CE-CD1 3.75Å; L2-I90 HydrophobicContact CG-CG2 4.31Å; L6-I90 HydrophobicContact CD2-CG2 4.36Å; L6-I90 HydrophobicContact CG-CG2 4.1Å; Q86-I90 VanDerWaalsContact O-CG1 3.29Å; Q86-I90 WeakPolarHBondContact O-CG1 3.11Å; Q86-I90 PolarHBondContact O-N 3.5Å; Q86-I90 VanDerWaalsContact O-N 3.11Å; I87-I90 PolarHBondContact O-N 2.98Å; I90-F93 HydrophobicContact CD1-CD2 4.39Å; I90-F93 WeakPolarHBondContact O-CB 3.36Å; I90-F93 PolarHBondContact O-N 3.44Å
91S89.9Confident86.9Confident62 Ų6273.4 Ų73.443%0.43437%0.374SS..G310 helixtrans-51.9-40.1-176.776.50000115.3I87 V88 F93 V94I87-S91 PolarHBondContact O-N 3.38Å; V88-S91 PolarHBondContact O-N 2.81Å; V88-S91 PolarHBondContact O-OG 2.85Å; S91-F93 PolarHBondContact O-N 3.29Å; S91-V94 VanDerWaalsContact O-CB 3.27Å; S91-V94 WeakPolarHBondContact O-CB 3.3Å; S91-V94 VanDerWaalsContact O-CG2 3.31Å; S91-V94 WeakPolarHBondContact O-CG2 3.38Å; S91-V94 PolarHBondContact O-N 3.09Å
92P88.6Confident86.9Confident70 Ų7075.8 Ų75.846%0.45539%0.386SS..G310 helixtrans-68.3-20.4-179.6-18.435000112.8V88 I89 V94 L95V88-P92 WeakPolarHBondContact O-CD 3.5Å; I89-P92 WeakPolarHBondContact O-CD 3.44Å; P92-V94 PolarHBondContact O-N 3.45Å; P92-L95 WeakPolarHBondContact O-CB 3.43Å; P92-L95 PolarHBondContact O-N 3.5Å; P92-L95 VanDerWaalsContact O-N 3.16Å
93F87.1Confident86.5Confident52 Ų5274.8 Ų74.823%0.22838%0.384CS..G310 helixtrans-68.8-20.3174-69.7-81.1000112.7M1 L28 L31 I90 S91 L95 M96M1-F93 HydrophobicContact CE-CE2 4.43Å; M1-F93 HydrophobicContact CG-CE1 4.48Å; L28-F93 HydrophobicContact CD1-CZ 4.5Å; L31-F93 HydrophobicContact CD2-CD1 4.02Å; L31-F93 HydrophobicContact CD2-CE1 3.48Å; L31-F93 VanDerWaalsContact CD2-CE1 3.48Å; I90-F93 HydrophobicContact CD1-CD2 4.39Å; I90-F93 WeakPolarHBondContact O-CB 3.36Å; I90-F93 PolarHBondContact O-N 3.44Å; S91-F93 PolarHBondContact O-N 3.29Å; F93-L95 VanDerWaalsContact C-N 3.27Å; F93-L95 PolarHBondContact O-N 2.92Å; F93-M96 WeakPolarHBondContact O-CB 3.19Å; F93-M96 PolarHBondContact O-N 2.85Å; F93-M96 VanDerWaalsContact O-N 3.13Å
94V87.6Confident86Confident74 Ų7475.5 Ų75.545%0.44839%0.393SS..G310 helixtrans-62.5-40.3171.4-178.10000109.8L2 S91 P92 M96 L97L2-V94 HydrophobicContact CD1-CB 4.34Å; L2-V94 HydrophobicContact CD1-CG2 3.73Å; S91-V94 VanDerWaalsContact O-CB 3.27Å; S91-V94 WeakPolarHBondContact O-CB 3.3Å; S91-V94 VanDerWaalsContact O-CG2 3.31Å; S91-V94 WeakPolarHBondContact O-CG2 3.38Å; S91-V94 PolarHBondContact O-N 3.09Å; P92-V94 PolarHBondContact O-N 3.45Å; V94-M96 PolarHBondContact O-N 3Å; V94-L97 HydrophobicContact CG1-CD1 4.34Å; V94-L97 WeakPolarHBondContact O-CB 3.33Å; V94-L97 WeakPolarHBondContact O-CG 3.27Å; V94-L97 PolarHBondContact O-N 2.99Å
95L85.1Confident85.7Confident132 Ų13279.3 Ų79.369%0.69141%0.409SS*.G310 helixtrans-67.8-13.5177.1-56.6177.2000112.9P92 F93 P98P92-L95 WeakPolarHBondContact O-CB 3.43Å; P92-L95 PolarHBondContact O-N 3.5Å; P92-L95 VanDerWaalsContact O-N 3.16Å; F93-L95 VanDerWaalsContact C-N 3.27Å; F93-L95 PolarHBondContact O-N 2.92Å; L95-P98 VanDerWaalsContact O-CD 3.31Å; L95-P98 WeakPolarHBondContact O-CD 3.32Å
96M82.7Confident85.4Confident93 Ų9377.9 Ų77.946%0.45840%0.402SS..G310 helixtrans-88.5-7.4173.8-65.5-73.4112.600113.1F93 V94 Y99F93-M96 WeakPolarHBondContact O-CB 3.19Å; F93-M96 PolarHBondContact O-N 2.85Å; F93-M96 VanDerWaalsContact O-N 3.13Å; V94-M96 PolarHBondContact O-N 3Å; M96-Y99 HydrophobicContact CE-CD2 4.23Å; M96-Y99 HydrophobicContact CE-CE2 4.21Å; M96-Y99 WeakPolarHBondContact O-CB 3.49Å; M96-Y99 PolarHBondContact O-N 3.27Å; M96-Y99 HydrophobicContact SD-CD2 4.21Å; M96-Y99 HydrophobicContact SD-CE2 4.41Å
97L85.1Confident84.9Confident99 Ų9979.8 Ų79.852%0.51841%0.413SS..SBendtrans-63.5-42.7175.7-64175.2000113.8L2 V94 Y99 V100L2-L97 HydrophobicContact CD1-CD1 4.22Å; L2-L97 HydrophobicContact CD1-CG 4.48Å; V94-L97 HydrophobicContact CG1-CD1 4.34Å; V94-L97 WeakPolarHBondContact O-CB 3.33Å; V94-L97 WeakPolarHBondContact O-CG 3.27Å; V94-L97 PolarHBondContact O-N 2.99Å; L97-Y99 PolarHBondContact O-N 3.41Å; L97-Y99 VanDerWaalsContact O-N 3.13Å; L97-V100 PolarHBondContact O-N 2.89Å
98P86.2Confident84.4Confident53 Ų5379 Ų7934%0.34441%0.405SS..THydrogen-bonded Turntrans-63.6-19.7177.1-1628.9000113.1L95 V100 W101 I102L95-P98 VanDerWaalsContact O-CD 3.31Å; L95-P98 WeakPolarHBondContact O-CD 3.32Å; P98-V100 PolarHBondContact O-N 3.48Å; P98-W101 PolarHBondContact O-N 3.48Å; P98-I102 HydrophobicContact CB-CD1 3.98Å; P98-I102 WeakPolarHBondContact O-CG1 3.49Å; P98-I102 PolarHBondContact O-N 3Å; P98-I102 VanDerWaalsContact O-N 3.13Å
99Y82.1Confident84Confident92 Ų9280.4 Ų80.436%0.36140%0.404SS..Hα-helixtrans-59.6-30.9-178.4-128.1-103.6000112.1M96 L97 W101 I102 F103M96-Y99 HydrophobicContact CE-CD2 4.23Å; M96-Y99 HydrophobicContact CE-CE2 4.21Å; M96-Y99 WeakPolarHBondContact O-CB 3.49Å; M96-Y99 PolarHBondContact O-N 3.27Å; M96-Y99 HydrophobicContact SD-CD2 4.21Å; M96-Y99 HydrophobicContact SD-CE2 4.41Å; L97-Y99 PolarHBondContact O-N 3.41Å; L97-Y99 VanDerWaalsContact O-N 3.13Å; Y99-W101 PolarHBondContact O-N 3.48Å; Y99-I102 PolarHBondContact O-N 3.25Å; Y99-F103 HydrophobicContact CD1-CB 4.13Å; Y99-F103 AromaticContact CD1-CD2 3.31Å; Y99-F103 HydrophobicContact CD1-CD2 3.31Å; Y99-F103 AromaticContact CD1-CE2 3.85Å; Y99-F103 HydrophobicContact CD1-CE2 3.85Å; Y99-F103 AromaticContact CD1-CG 3.72Å; Y99-F103 HydrophobicContact CD1-CG 3.72Å; Y99-F103 HydrophobicContact CD2-CD2 4.07Å; Y99-F103 HydrophobicContact CD2-CE2 4.11Å; Y99-F103 HydrophobicContact CE1-CB 4.41Å; Y99-F103 AromaticContact CE1-CD1 3.99Å; Y99-F103 HydrophobicContact CE1-CD1 3.99Å; Y99-F103 AromaticContact CE1-CD2 3.13Å; Y99-F103 HydrophobicContact CE1-CD2 3.13Å; Y99-F103 HydrophobicContact CE1-CE1 4.03Å; Y99-F103 AromaticContact CE1-CE2 3.21Å; Y99-F103 HydrophobicContact CE1-CE2 3.21Å; Y99-F103 AromaticContact CE1-CG 3.55Å; Y99-F103 HydrophobicContact CE1-CG 3.55Å; Y99-F103 AromaticContact CE1-CZ 3.67Å; Y99-F103 HydrophobicContact CE1-CZ 3.67Å; Y99-F103 AromaticContact CE2-CD2 3.92Å; Y99-F103 HydrophobicContact CE2-CD2 3.92Å; Y99-F103 AromaticContact CE2-CE2 3.51Å; Y99-F103 HydrophobicContact CE2-CE2 3.51Å; Y99-F103 HydrophobicContact CE2-CZ 4.33Å; Y99-F103 AromaticContact CG-CD2 3.79Å; Y99-F103 HydrophobicContact CG-CD2 3.79Å; Y99-F103 HydrophobicContact CG-CE2 4.26Å; Y99-F103 AromaticContact CZ-CD2 3.47Å; Y99-F103 VanDerWaalsContact CZ-CD2 3.47Å; Y99-F103 AromaticContact CZ-CE2 3.01Å; Y99-F103 AromaticContact CZ-CZ 3.48Å; Y99-F103 VanDerWaalsContact CZ-CZ 3.48Å; Y99-F103 WeakPolarHBondContact O-CB 3.47Å; Y99-F103 PolarHBondContact O-N 3.22Å; Y99-F103 WeakPolarHBondContact OH-CE2 3.45Å; Y99-F103 WeakPolarHBondContact OH-CZ 3.44Å
100V79.8Confident83.5Confident118 Ų11877.7 Ų77.772%0.71539%0.39SS*.Hα-helixtrans-61.7-29.9176177.90000112.2L97 P98L97-V100 PolarHBondContact O-N 2.89Å; P98-V100 PolarHBondContact O-N 3.48Å
101W80.5Confident82.8Confident221 Ų22179.7 Ų79.784%0.83740%0.401SS*.Hα-helixtrans-94.1-28.7179.7-59.2-46.2000113.2P98 Y99P98-W101 PolarHBondContact O-N 3.48Å; Y99-W101 PolarHBondContact O-N 3.48Å
102I81.5Confident81.9Confident119 Ų11977.7 Ų77.761%0.6139%0.388SS*.Hα-helixtrans-86.8-40.6-174-63.9167.6000111.5P98 Y99P98-I102 HydrophobicContact CB-CD1 3.98Å; P98-I102 WeakPolarHBondContact O-CG1 3.49Å; P98-I102 PolarHBondContact O-N 3Å; P98-I102 VanDerWaalsContact O-N 3.13Å; Y99-I102 PolarHBondContact O-N 3.25Å
103F77.4Confident81.1Confident81 Ų8174.9 Ų74.936%0.35537%0.369SS..SBendtrans-86.3124.6-173.1-92.2-99.8000112.2L42 Y99L42-F103 HydrophobicContact CD1-CD1 4.18Å; L42-F103 HydrophobicContact CD1-CE1 4.39Å; Y99-F103 HydrophobicContact CD1-CB 4.13Å; Y99-F103 AromaticContact CD1-CD2 3.31Å; Y99-F103 HydrophobicContact CD1-CD2 3.31Å; Y99-F103 AromaticContact CD1-CE2 3.85Å; Y99-F103 HydrophobicContact CD1-CE2 3.85Å; Y99-F103 AromaticContact CD1-CG 3.72Å; Y99-F103 HydrophobicContact CD1-CG 3.72Å; Y99-F103 HydrophobicContact CD2-CD2 4.07Å; Y99-F103 HydrophobicContact CD2-CE2 4.11Å; Y99-F103 HydrophobicContact CE1-CB 4.41Å; Y99-F103 AromaticContact CE1-CD1 3.99Å; Y99-F103 HydrophobicContact CE1-CD1 3.99Å; Y99-F103 AromaticContact CE1-CD2 3.13Å; Y99-F103 HydrophobicContact CE1-CD2 3.13Å; Y99-F103 HydrophobicContact CE1-CE1 4.03Å; Y99-F103 AromaticContact CE1-CE2 3.21Å; Y99-F103 HydrophobicContact CE1-CE2 3.21Å; Y99-F103 AromaticContact CE1-CG 3.55Å; Y99-F103 HydrophobicContact CE1-CG 3.55Å; Y99-F103 AromaticContact CE1-CZ 3.67Å; Y99-F103 HydrophobicContact CE1-CZ 3.67Å; Y99-F103 AromaticContact CE2-CD2 3.92Å; Y99-F103 HydrophobicContact CE2-CD2 3.92Å; Y99-F103 AromaticContact CE2-CE2 3.51Å; Y99-F103 HydrophobicContact CE2-CE2 3.51Å; Y99-F103 HydrophobicContact CE2-CZ 4.33Å; Y99-F103 AromaticContact CG-CD2 3.79Å; Y99-F103 HydrophobicContact CG-CD2 3.79Å; Y99-F103 HydrophobicContact CG-CE2 4.26Å; Y99-F103 AromaticContact CZ-CD2 3.47Å; Y99-F103 VanDerWaalsContact CZ-CD2 3.47Å; Y99-F103 AromaticContact CZ-CE2 3.01Å; Y99-F103 AromaticContact CZ-CZ 3.48Å; Y99-F103 VanDerWaalsContact CZ-CZ 3.48Å; Y99-F103 WeakPolarHBondContact O-CB 3.47Å; Y99-F103 PolarHBondContact O-N 3.22Å; Y99-F103 WeakPolarHBondContact OH-CE2 3.45Å; Y99-F103 WeakPolarHBondContact OH-CZ 3.44Å
104P78.8Confident80.6Confident67 Ų6774 Ų7444%0.43537%0.366SS..PPolyproline II helixtrans-68.6148.3173.129.7-33.3000110.4M122P104-M122 HydrophobicContact CB-CE 3.67Å; P104-M122 HydrophobicContact CB-SD 4.12Å
105E82.5Confident80Confident104 Ų10473.2 Ų73.249%0.48636%0.357SS..PPolyproline II helixtrans-58.3157.1168.2-167.260.3-100.500111.2L107 W109 L110 M122E105-L107 PolarHBondContact O-N 3.45Å; E105-W109 HydrophobicContact CG-CE3 4.17Å; E105-W109 HydrophobicContact CG-CZ3 4.45Å; E105-L110 HydrophobicContact CB-CD1 4.28Å; E105-L110 HydrophobicContact CG-CD1 4.47Å; E105-L110 HydrophobicContact CG-CD2 4.4Å; E105-L110 HydrophobicContact CG-CG 4.26Å; E105-M122 HydrophobicContact CB-CE 4.09Å; E105-M122 WeakPolarHBondContact O-CE 3.3Å
106S83.9Confident79.7Confident2 Ų267.8 Ų67.81%0.01433%0.328CS..PPolyproline II helixtrans-61.5119.3175.9165.70000112.3E41 R108 W109 L110E41-S106 WeakPolarHBondContact CB-OG 3.3Å; E41-S106 WeakPolarHBondContact OE2-CB 3.38Å; E41-S106 PolarHBondContact OE2-OG 2.94Å; S106-R108 VanDerWaalsContact C-N 3.3Å; S106-R108 PolarHBondContact O-N 2.86Å; S106-R108 PolarHBondContact OG-N 3.37Å; S106-W109 PolarHBondContact O-N 3.41Å; S106-W109 PolarHBondContact OG-N 3.39Å; S106-W109 VanDerWaalsContact OG-N 3.11Å; S106-L110 WeakPolarHBondContact O-CG 3.42Å; S106-L110 PolarHBondContact O-N 2.94Å
107L80.3Confident79.5Confident50 Ų5070.7 Ų70.726%0.26234%0.338SS..Hα-helixtrans-61.4-38.9175.5-177.862.5000111.8E105 W109 L110 L111 M122 M123E105-L107 PolarHBondContact O-N 3.45Å; L107-W109 PolarHBondContact O-N 3.37Å; L107-L110 PolarHBondContact O-N 3.36Å; L107-L111 HydrophobicContact CD1-CD1 4.45Å; L107-L111 HydrophobicContact CD1-CG 4.47Å; L107-L111 HydrophobicContact CG-CD1 4.18Å; L107-L111 WeakPolarHBondContact O-CG 3.33Å; L107-L111 PolarHBondContact O-N 3.41Å; L107-M122 HydrophobicContact CB-SD 4.05Å; L107-M122 HydrophobicContact CD1-SD 4.27Å; L107-M123 HydrophobicContact CD1-CG 3.83Å; L107-M123 HydrophobicContact CD1-SD 4.37Å; L107-M123 HydrophobicContact CD2-CG 3.88Å
108R79.7Confident79.3Confident50 Ų5074.4 Ų74.419%0.18935%0.345CS..Hα-helixtrans-62.7-42.9178.2-68.8-176.5-178.5134.512.9111.3I40 E41 C43 R48 S106 L111 A112 T303I40-R108 PolarHBondContact O-NH1 3.47Å; E41-R108 PolarHBondContact O-NH1 3.39Å; C43-R108 PolarHBondContact O-NH1 2.95Å; C43-R108 PolarHBondContact O-NH2 3.47Å; R48-R108 VanDerWaalsContact NH2-CZ 3.27Å; S106-R108 VanDerWaalsContact C-N 3.3Å; S106-R108 PolarHBondContact O-N 2.86Å; S106-R108 PolarHBondContact OG-N 3.37Å; R108-L111 PolarHBondContact O-N 3.49Å; R108-A112 VanDerWaalsContact O-CB 3.25Å; R108-A112 WeakPolarHBondContact O-CB 3.38Å; R108-A112 PolarHBondContact O-N 2.93Å; R108-T303 HydrophobicContact CB-CG2 4.17Å
109W82.9Confident79Confident87 Ų8771.9 Ų71.933%0.3333%0.329SS..Hα-helixtrans-66.1-41.7176.5-179.286.6000111.7E105 S106 L107 L111 A112 T113E105-W109 HydrophobicContact CG-CE3 4.17Å; E105-W109 HydrophobicContact CG-CZ3 4.45Å; S106-W109 PolarHBondContact O-N 3.41Å; S106-W109 PolarHBondContact OG-N 3.39Å; S106-W109 VanDerWaalsContact OG-N 3.11Å; L107-W109 PolarHBondContact O-N 3.37Å; W109-L111 VanDerWaalsContact C-N 3.34Å; W109-L111 PolarHBondContact O-N 2.94Å; W109-A112 PolarHBondContact O-N 3.4Å; W109-T113 HydrophobicContact CD2-CG2 4.07Å; W109-T113 HydrophobicContact CG-CG2 4.36Å; W109-T113 HydrophobicContact CZ2-CG2 3.87Å; W109-T113 WeakPolarHBondContact O-CB 3.49Å; W109-T113 WeakPolarHBondContact O-CG2 3.34Å; W109-T113 PolarHBondContact O-N 3Å; W109-T113 PolarHBondContact O-OG1 3.42Å
110L79.8Confident78.9Confident3 Ų369.2 Ų69.22%0.01632%0.319CS..Hα-helixtrans-60.5-42.1177.6-73170.4000112.3E105 S106 L107 Q114 H115 R118 M122E105-L110 HydrophobicContact CB-CD1 4.28Å; E105-L110 HydrophobicContact CG-CD1 4.47Å; E105-L110 HydrophobicContact CG-CD2 4.4Å; E105-L110 HydrophobicContact CG-CG 4.26Å; S106-L110 WeakPolarHBondContact O-CG 3.42Å; S106-L110 PolarHBondContact O-N 2.94Å; L107-L110 PolarHBondContact O-N 3.36Å; L110-Q114 PolarHBondContact O-N 3.02Å; L110-H115 HydrophobicContact CD2-CB 3.84Å; L110-H115 PolarHBondContact O-N 2.92Å; L110-R118 HydrophobicContact CD1-CB 4.31Å; L110-R118 HydrophobicContact CD2-CB 3.9Å; L110-M122 HydrophobicContact CD1-CE 3.69Å; L110-M122 HydrophobicContact CD1-SD 4.14Å
111L76.8Confident79Confident45 Ų4565.7 Ų65.724%0.23630%0.302CS..Hα-helixtrans-68.6-47.6176.4-69170.4000111.5L107 R108 W109 T113 Q114 Y116 L145L107-L111 HydrophobicContact CD1-CD1 4.45Å; L107-L111 HydrophobicContact CD1-CG 4.47Å; L107-L111 HydrophobicContact CG-CD1 4.18Å; L107-L111 WeakPolarHBondContact O-CG 3.33Å; L107-L111 PolarHBondContact O-N 3.41Å; R108-L111 PolarHBondContact O-N 3.49Å; W109-L111 VanDerWaalsContact C-N 3.34Å; W109-L111 PolarHBondContact O-N 2.94Å; L111-T113 VanDerWaalsContact C-N 3.29Å; L111-T113 PolarHBondContact O-N 3.19Å; L111-Q114 PolarHBondContact O-N 3.3Å; L111-Q114 PolarHBondContact O-NE2 3.21Å; L111-Y116 HydrophobicContact CD2-CD1 4.44Å; L111-L145 HydrophobicContact CD2-CD1 4.14Å; L111-L145 HydrophobicContact CD2-CD2 4.16Å; L111-L145 HydrophobicContact CD2-CG 4.49Å
112A71.8Confident79.2Confident19 Ų1956.5 Ų56.516%0.15727%0.269CS..Hα-helixtrans-65.9-30.5-177.800000113.3R108 W109 Q114 T303 V304R108-A112 VanDerWaalsContact O-CB 3.25Å; R108-A112 WeakPolarHBondContact O-CB 3.38Å; R108-A112 PolarHBondContact O-N 2.93Å; W109-A112 PolarHBondContact O-N 3.4Å; A112-Q114 VanDerWaalsContact C-N 3.33Å; A112-T303 WeakPolarHBondContact CB-OG1 3.43Å; A112-V304 HydrophobicContact CB-CG1 3.67Å; A112-V304 WeakPolarHBondContact O-CG1 3.41Å
113T72.5Confident79.2Confident11 Ų1153.1 Ų53.17%0.06725%0.251CS..THydrogen-bonded Turntrans-90.16.5174.557.70000113.9W109 L111 H115 Q154W109-T113 HydrophobicContact CD2-CG2 4.07Å; W109-T113 HydrophobicContact CG-CG2 4.36Å; W109-T113 HydrophobicContact CZ2-CG2 3.87Å; W109-T113 WeakPolarHBondContact O-CB 3.49Å; W109-T113 WeakPolarHBondContact O-CG2 3.34Å; W109-T113 PolarHBondContact O-N 3Å; W109-T113 PolarHBondContact O-OG1 3.42Å; L111-T113 VanDerWaalsContact C-N 3.29Å; L111-T113 PolarHBondContact O-N 3.19Å; T113-H115 VanDerWaalsContact C-N 3.29Å; T113-H115 WeakPolarHBondContact CB-ND1 3.44Å; T113-H115 PolarHBondContact O-N 3.17Å; T113-H115 PolarHBondContact O-ND1 3.19Å; T113-H115 PolarHBondContact OG1-ND1 3.47Å; T113-Q154 PolarHBondContact O-N 3.43Å
114Q74.8Confident79.3Confident33 Ų3351.3 Ų51.315%0.15425%0.245CC..THydrogen-bonded Turntrans64.328.7175.8-49.9-78.3-69.900113.5L110 L111 A112 Y116 Q154L110-Q114 PolarHBondContact O-N 3.02Å; L111-Q114 PolarHBondContact O-N 3.3Å; L111-Q114 PolarHBondContact O-NE2 3.21Å; A112-Q114 VanDerWaalsContact C-N 3.33Å; Q114-Y116 HydrophobicContact CB-CD2 4.33Å; Q114-Y116 HydrophobicContact CB-CE2 3.84Å; Q114-Y116 VanDerWaalsContact CD-CZ 3.5Å; Q114-Y116 HydrophobicContact CG-CE2 4.37Å; Q114-Y116 PolarHBondContact NE2-OH 2.76Å; Q114-Y116 WeakPolarHBondContact O-CD2 3.39Å; Q114-Y116 PolarHBondContact O-N 2.88Å; Q114-Y116 PolarHBondContact OE1-OH 3.43Å; Q114-Q154 HydrophobicContact CG-CB 4.39Å; Q114-Q154 HydrophobicContact CG-CG 4.46Å
115H75.6Confident79.5Confident58 Ų5857.3 Ų57.327%0.26926%0.259SS..  trans-84.558173.8-70.493.6000111.5L110 T113 K117 R118 S119L110-H115 HydrophobicContact CD2-CB 3.84Å; L110-H115 PolarHBondContact O-N 2.92Å; T113-H115 VanDerWaalsContact C-N 3.29Å; T113-H115 WeakPolarHBondContact CB-ND1 3.44Å; T113-H115 PolarHBondContact O-N 3.17Å; T113-H115 PolarHBondContact O-ND1 3.19Å; T113-H115 PolarHBondContact OG1-ND1 3.47Å; H115-K117 VanDerWaalsContact C-N 3.29Å; H115-K117 PolarHBondContact O-N 3.16Å; H115-R118 PolarHBondContact O-N 3.29Å; H115-S119 PolarHBondContact O-N 3.29Å; H115-S119 VanDerWaalsContact O-N 3.12Å
116Y78.6Confident79.5Confident19 Ų1956.2 Ų56.28%0.07526%0.255CS..Hα-helixtrans-58.2-33.5-170.1-64.6-61.3000115L111 Q114 R118 S119 K120 L145 E148 K151L111-Y116 HydrophobicContact CD2-CD1 4.44Å; Q114-Y116 HydrophobicContact CB-CD2 4.33Å; Q114-Y116 HydrophobicContact CB-CE2 3.84Å; Q114-Y116 VanDerWaalsContact CD-CZ 3.5Å; Q114-Y116 HydrophobicContact CG-CE2 4.37Å; Q114-Y116 PolarHBondContact NE2-OH 2.76Å; Q114-Y116 WeakPolarHBondContact O-CD2 3.39Å; Q114-Y116 PolarHBondContact O-N 2.88Å; Q114-Y116 PolarHBondContact OE1-OH 3.43Å; Y116-R118 PolarHBondContact O-N 3.02Å; Y116-S119 VanDerWaalsContact CA-OG 3.27Å; Y116-S119 WeakPolarHBondContact CA-OG 3.34Å; Y116-S119 PolarHBondContact O-OG 2.91Å; Y116-K120 VanDerWaalsContact O-CB 3.29Å; Y116-K120 WeakPolarHBondContact O-CB 3.32Å; Y116-K120 PolarHBondContact O-N 2.99Å; Y116-L145 HydrophobicContact CD1-CD2 4.27Å; Y116-L145 HydrophobicContact CD1-CG 3.92Å; Y116-E148 HydrophobicContact CD2-CB 4.26Å; Y116-E148 VanDerWaalsContact CD2-O 3.26Å; Y116-E148 WeakPolarHBondContact CD2-O 3.4Å; Y116-E148 HydrophobicContact CE2-CB 3.9Å; Y116-K151 HydrophobicContact CE2-CB 4.45Å
117K78.8Confident79.3Confident153 Ų15356.9 Ų56.967%0.66526%0.261SS*.Hα-helixtrans-61.2-44.3176.5-69-178.6-179.4-176.10112.2H115 A121 L149H115-K117 VanDerWaalsContact C-N 3.29Å; H115-K117 PolarHBondContact O-N 3.16Å; K117-A121 PolarHBondContact O-N 2.93Å; K117-L149 HydrophobicContact CB-CD1 4.19Å; K117-L149 HydrophobicContact CG-CD1 3.4Å; K117-L149 HydrophobicContact CG-CD2 4.36Å; K117-L149 HydrophobicContact CG-CG 3.91Å
118R80.3Confident79.4Confident177 Ų17763.4 Ų63.467%0.66828%0.282SS*.Hα-helixtrans-76.8-38.7-178.2-74.4-173.3179.3-174.60.2111.4L110 H115 Y116 A121 M122L110-R118 HydrophobicContact CD1-CB 4.31Å; L110-R118 HydrophobicContact CD2-CB 3.9Å; H115-R118 PolarHBondContact O-N 3.29Å; Y116-R118 PolarHBondContact O-N 3.02Å; R118-A121 PolarHBondContact O-N 3.49Å; R118-M122 WeakPolarHBondContact O-CB 3.21Å; R118-M122 PolarHBondContact O-N 3.43Å
119S79.8Confident79.5Confident0 Ų069.5 Ų69.50%031%0.31CS..Hα-helixtrans-63.1-45.4175.458.80000111.5H115 Y116 A121 M122 M123 L145H115-S119 PolarHBondContact O-N 3.29Å; H115-S119 VanDerWaalsContact O-N 3.12Å; Y116-S119 VanDerWaalsContact CA-OG 3.27Å; Y116-S119 WeakPolarHBondContact CA-OG 3.34Å; Y116-S119 PolarHBondContact O-OG 2.91Å; S119-A121 PolarHBondContact O-N 3.15Å; S119-M122 WeakPolarHBondContact O-CB 3.37Å; S119-M122 PolarHBondContact O-N 2.92Å; S119-M122 VanDerWaalsContact O-N 3.14Å; S119-M123 WeakPolarHBondContact O-CG 3.49Å; S119-M123 PolarHBondContact O-N 2.9Å; S119-L145 WeakPolarHBondContact OG-CD2 3.45Å
120K79.9Confident79.5Confident37 Ų3770.4 Ų70.416%0.16132%0.322CS..Hα-helixtrans-56.1-48.9174.5177.6161.8-176.9171.50111.7Y116 M122 M123 L124 L142 L145 E146Y116-K120 VanDerWaalsContact O-CB 3.29Å; Y116-K120 WeakPolarHBondContact O-CB 3.32Å; Y116-K120 PolarHBondContact O-N 2.99Å; K120-M122 VanDerWaalsContact C-N 3.29Å; K120-M122 PolarHBondContact O-N 3Å; K120-M123 PolarHBondContact O-N 3.33Å; K120-L124 HydrophobicContact CG-CD1 4.08Å; K120-L124 WeakPolarHBondContact O-CB 3.33Å; K120-L124 VanDerWaalsContact O-CG 3.29Å; K120-L124 WeakPolarHBondContact O-CG 3.3Å; K120-L124 PolarHBondContact O-N 2.9Å; K120-L142 HydrophobicContact CB-CD2 4.4Å; K120-L142 HydrophobicContact CD-CD2 4.04Å; K120-L142 HydrophobicContact CG-CD2 3.64Å; K120-L145 HydrophobicContact CB-CD2 4.15Å; K120-E146 IonicContact NZ-OE1 3.84Å; K120-E146 PolarHBondContact NZ-OE1 3.06Å; K120-E146 IonicContact NZ-OE2 3.82Å; K120-E146 PolarHBondContact NZ-OE2 3.2Å
121A83.6Confident79.5Confident44 Ų4478.8 Ų78.836%0.36436%0.36SS..Hα-helixtrans-60.1-38.5177.900000112.7K117 R118 S119 R125K117-A121 PolarHBondContact O-N 2.93Å; R118-A121 PolarHBondContact O-N 3.49Å; S119-A121 PolarHBondContact O-N 3.15Å; A121-R125 VanDerWaalsContact O-CG 3.31Å; A121-R125 WeakPolarHBondContact O-CG 3.4Å; A121-R125 PolarHBondContact O-N 3.45Å; A121-R125 VanDerWaalsContact O-N 3.17Å
122M83.4Confident79.3Confident28 Ų2880 Ų8014%0.13837%0.37CS..Hα-helixtrans-69.9-46.4177.5-175175.1-67.300112.3P104 E105 L107 L110 R118 S119 K120 L124 R125 I126P104-M122 HydrophobicContact CB-CE 3.67Å; P104-M122 HydrophobicContact CB-SD 4.12Å; E105-M122 HydrophobicContact CB-CE 4.09Å; E105-M122 WeakPolarHBondContact O-CE 3.3Å; L107-M122 HydrophobicContact CB-SD 4.05Å; L107-M122 HydrophobicContact CD1-SD 4.27Å; L110-M122 HydrophobicContact CD1-CE 3.69Å; L110-M122 HydrophobicContact CD1-SD 4.14Å; R118-M122 WeakPolarHBondContact O-CB 3.21Å; R118-M122 PolarHBondContact O-N 3.43Å; S119-M122 WeakPolarHBondContact O-CB 3.37Å; S119-M122 PolarHBondContact O-N 2.92Å; S119-M122 VanDerWaalsContact O-N 3.14Å; K120-M122 VanDerWaalsContact C-N 3.29Å; K120-M122 PolarHBondContact O-N 3Å; M122-L124 VanDerWaalsContact C-N 3.32Å; M122-L124 PolarHBondContact O-N 2.79Å; M122-R125 WeakPolarHBondContact O-CB 3.31Å; M122-R125 PolarHBondContact O-N 2.86Å; M122-R125 VanDerWaalsContact O-N 3.16Å; M122-I126 HydrophobicContact CG-CD1 4.11Å; M122-I126 WeakPolarHBondContact O-CG1 3.24Å; M122-I126 PolarHBondContact O-N 2.92Å
123M81.1Confident78.9Confident47 Ų4785.2 Ų85.223%0.23240%0.395CS..Hα-helixtrans-59.3-43.4176.6-71.3177.469.300111.3L107 S119 K120 R125 I126 A127 V141 L145L107-M123 HydrophobicContact CD1-CG 3.83Å; L107-M123 HydrophobicContact CD1-SD 4.37Å; L107-M123 HydrophobicContact CD2-CG 3.88Å; S119-M123 WeakPolarHBondContact O-CG 3.49Å; S119-M123 PolarHBondContact O-N 2.9Å; K120-M123 PolarHBondContact O-N 3.33Å; M123-R125 VanDerWaalsContact C-N 3.34Å; M123-R125 PolarHBondContact O-N 3.36Å; M123-I126 PolarHBondContact O-N 2.89Å; M123-A127 WeakPolarHBondContact O-CB 3.37Å; M123-A127 PolarHBondContact O-N 3.31Å; M123-V141 HydrophobicContact CE-CG1 3.96Å; M123-L145 HydrophobicContact SD-CD2 4.43Å
124L81.5Confident78.2Confident44 Ų4487.6 Ų87.623%0.2341%0.406CS..Hα-helixtrans-61.1-40.4175.3-72.8173.3000112.6K120 M122 R128 M134 L142K120-L124 HydrophobicContact CG-CD1 4.08Å; K120-L124 WeakPolarHBondContact O-CB 3.33Å; K120-L124 VanDerWaalsContact O-CG 3.29Å; K120-L124 WeakPolarHBondContact O-CG 3.3Å; K120-L124 PolarHBondContact O-N 2.9Å; M122-L124 VanDerWaalsContact C-N 3.32Å; M122-L124 PolarHBondContact O-N 2.79Å; L124-R128 WeakPolarHBondContact O-CB 3.29Å; L124-R128 VanDerWaalsContact O-CG 3.29Å; L124-R128 WeakPolarHBondContact O-CG 3.2Å; L124-R128 PolarHBondContact O-N 3.09Å; L124-M134 HydrophobicContact CD2-CE 3.37Å; L124-L142 HydrophobicContact CD2-CD1 3.96Å; L124-L142 HydrophobicContact CD2-CD2 4.47Å; L124-L142 HydrophobicContact CG-CD2 4.45Å
125R82.9Confident77.4Confident192 Ų19291.4 Ų91.473%0.72543%0.432SS*.Hα-helixtrans-63.7-42.8175.8-74.3174.2-172.6-176.31.9111.7A121 M122 M123 K129A121-R125 VanDerWaalsContact O-CG 3.31Å; A121-R125 WeakPolarHBondContact O-CG 3.4Å; A121-R125 PolarHBondContact O-N 3.45Å; A121-R125 VanDerWaalsContact O-N 3.17Å; M122-R125 WeakPolarHBondContact O-CB 3.31Å; M122-R125 PolarHBondContact O-N 2.86Å; M122-R125 VanDerWaalsContact O-N 3.16Å; M123-R125 VanDerWaalsContact C-N 3.34Å; M123-R125 PolarHBondContact O-N 3.36Å; R125-K129 WeakPolarHBondContact O-CB 3.37Å; R125-K129 PolarHBondContact O-N 2.89Å; R125-K129 VanDerWaalsContact O-N 3.14Å
126I82.3Confident76.5Confident81 Ų8193.9 Ų93.942%0.41545%0.451SS..Hα-helixtrans-66.5-45.8178.3-65.5168.4000110.4M122 M123 R128 K129 N130M122-I126 HydrophobicContact CG-CD1 4.11Å; M122-I126 WeakPolarHBondContact O-CG1 3.24Å; M122-I126 PolarHBondContact O-N 2.92Å; M123-I126 PolarHBondContact O-N 2.89Å; I126-R128 PolarHBondContact O-N 3.42Å; I126-K129 PolarHBondContact O-N 3.32Å; I126-K129 VanDerWaalsContact O-N 3.14Å; I126-N130 WeakPolarHBondContact O-CB 3.41Å; I126-N130 PolarHBondContact O-N 3Å
127A80Confident75.2Confident16 Ų16101 Ų10113%0.13249%0.485CS..Hα-helixtrans-64.3-41.6-179.100000112.5M123 K129 N130 Q131 V132 M134M123-A127 WeakPolarHBondContact O-CB 3.37Å; M123-A127 PolarHBondContact O-N 3.31Å; A127-K129 VanDerWaalsContact C-N 3.32Å; A127-K129 PolarHBondContact O-N 2.71Å; A127-N130 CarbonylContact O-C 3.57Å; A127-N130 PolarHBondContact O-N 2.72Å; A127-Q131 PolarHBondContact O-N 3.27Å; A127-V132 PolarHBondContact O-N 3.19Å; A127-M134 HydrophobicContact CB-CE 4.41Å; A127-M134 HydrophobicContact CB-SD 3.33Å; A127-M134 WeakPolarHBondContact CB-SD 3.25Å
128R80.4Confident74Confident187 Ų18794.8 Ų94.871%0.70646%0.462SS*.Hα-helixtrans-59.7-41.3171.5-74.4-178.8-157.71773.7112.3L124 I126 N130 Q131L124-R128 WeakPolarHBondContact O-CB 3.29Å; L124-R128 VanDerWaalsContact O-CG 3.29Å; L124-R128 WeakPolarHBondContact O-CG 3.2Å; L124-R128 PolarHBondContact O-N 3.09Å; I126-R128 PolarHBondContact O-N 3.42Å; R128-N130 VanDerWaalsContact C-N 3.34Å; R128-Q131 PolarHBondContact O-N 3.01Å
129K82.7Confident72.8Confident179 Ų17988.9 Ų88.978%0.77845%0.448SS*.Hα-helixtrans-69.4-34180-168.6174.4-178.8179.80112.2R125 I126 A127 Q131R125-K129 WeakPolarHBondContact O-CB 3.37Å; R125-K129 PolarHBondContact O-N 2.89Å; R125-K129 VanDerWaalsContact O-N 3.14Å; I126-K129 PolarHBondContact O-N 3.32Å; I126-K129 VanDerWaalsContact O-N 3.14Å; A127-K129 VanDerWaalsContact C-N 3.32Å; A127-K129 PolarHBondContact O-N 2.71Å; K129-Q131 VanDerWaalsContact C-N 3.32Å
130N82.3Confident72Confident106 Ų10690.8 Ų90.857%0.56747%0.467SS*.THydrogen-bonded Turntrans-88.54179.1-67.9-6.2000113.5I126 A127 R128 V132I126-N130 WeakPolarHBondContact O-CB 3.41Å; I126-N130 PolarHBondContact O-N 3Å; A127-N130 CarbonylContact O-C 3.57Å; A127-N130 PolarHBondContact O-N 2.72Å; R128-N130 VanDerWaalsContact C-N 3.34Å; N130-V132 HydrophobicContact CB-CG2 3.9Å; N130-V132 PolarHBondContact O-N 3.11Å; N130-V132 VanDerWaalsContact O-N 3.14Å
131Q79.8Confident71.4Confident178 Ų17892.4 Ų92.483%0.83248%0.481SS*.THydrogen-bonded Turntrans50.336.4-178.7-56.7-177.39.100113.5A127 R128 K129A127-Q131 PolarHBondContact O-N 3.27Å; R128-Q131 PolarHBondContact O-N 3.01Å; K129-Q131 VanDerWaalsContact C-N 3.32Å
132V73.1Confident70.6Confident71 Ų7191.1 Ų91.143%0.4347%0.467SS..  trans-79.4131.1177.6179.20000108.9A127 N130 M134A127-V132 PolarHBondContact O-N 3.19Å; N130-V132 HydrophobicContact CB-CG2 3.9Å; N130-V132 PolarHBondContact O-N 3.11Å; N130-V132 VanDerWaalsContact O-N 3.14Å; V132-M134 PolarHBondContact O-N 3.37Å
133D62.6Low69.7Low129 Ų12992.3 Ų92.369%0.6948%0.482SS*.  trans-62.2110176.4-84.6-29000110.8T135D133-T135 PolarHBondContact O-N 3.42Å
134M59.7Low69.1Low61 Ų6194.3 Ų94.330%0.349%0.491SS..THydrogen-bonded Turntrans-72.7-7.9-173.8-67.7-62.1-53.600113.8L124 A127 V132 A138 L142L124-M134 HydrophobicContact CD2-CE 3.37Å; A127-M134 HydrophobicContact CB-CE 4.41Å; A127-M134 HydrophobicContact CB-SD 3.33Å; A127-M134 WeakPolarHBondContact CB-SD 3.25Å; V132-M134 PolarHBondContact O-N 3.37Å; M134-A138 HydrophobicContact CE-CB 3.83Å; M134-A138 HydrophobicContact SD-CB 4.02Å; M134-L142 HydrophobicContact CE-CD1 3.35Å
135T58.1Low68.4Low113 Ų11393 Ų9369%0.69348%0.484SS*.THydrogen-bonded Turntrans-86.2-26.1-168.748.30000113.9D133D133-T135 PolarHBondContact O-N 3.42Å
136T54.7Low67.6Low109 Ų10988.9 Ų88.967%0.66947%0.472SS*.THydrogen-bonded Turntrans-119.9-41.9-163.3-20.30000114.5
137E52.3Low66.8Low168 Ų16892.1 Ų92.179%0.78549%0.486SS*.THydrogen-bonded Turntrans-113.8-34.9-176.9-65.7-170.7162.800113.8S139E137-S139 VanDerWaalsContact C-N 3.25Å; E137-S139 PolarHBondContact O-N 3.25Å
138A53.2Low66.1Low23 Ų2392.4 Ų92.419%0.1949%0.485CS..Hα-helixtrans-71.7-22.217600000112.4M134 L142M134-A138 HydrophobicContact CE-CB 3.83Å; M134-A138 HydrophobicContact SD-CB 4.02Å; A138-L142 HydrophobicContact CB-CD1 4.1Å; A138-L142 WeakPolarHBondContact O-CB 3.47Å; A138-L142 VanDerWaalsContact O-CD1 3.3Å; A138-L142 WeakPolarHBondContact O-CD1 3.2Å; A138-L142 VanDerWaalsContact O-CG 3.29Å; A138-L142 WeakPolarHBondContact O-CG 3.24Å; A138-L142 PolarHBondContact O-N 2.88Å; A138-L142 VanDerWaalsContact O-N 3.08Å
139S55.3Low65.4Low54 Ų5485.7 Ų85.738%0.37846%0.462SS..Hα-helixtrans-67.2-37-175.267.60000112.8E137 A143E137-S139 VanDerWaalsContact C-N 3.25Å; E137-S139 PolarHBondContact O-N 3.25Å; S139-A143 WeakPolarHBondContact O-CB 3.47Å; S139-A143 PolarHBondContact O-N 3.38Å
140G64Low64.2Low39 Ų3985.5 Ų85.540%0.40246%0.464SS..Hα-helixtrans-63.5-54.317900000112.7L142 A143 E144G140-L142 VanDerWaalsContact C-N 3.32Å; G140-L142 PolarHBondContact O-N 3.16Å; G140-A143 PolarHBondContact O-N 3.07Å; G140-E144 PolarHBondContact O-N 3.41Å
141V65.7Low63.3Low72 Ų7284.8 Ų84.844%0.43646%0.456SS..Hα-helixtrans-64.8-36.9178.7-178.30000111.5M123 L145M123-V141 HydrophobicContact CE-CG1 3.96Å; V141-L145 HydrophobicContact CG1-CD1 4.23Å; V141-L145 WeakPolarHBondContact O-CD1 3.41Å; V141-L145 PolarHBondContact O-N 2.98Å; V141-L145 VanDerWaalsContact O-N 3.07Å
142L67.5Low62.3Low16 Ų1685.1 Ų85.18%0.08445%0.454CS..Hα-helixtrans-70.8-32.3176.6-79.4162.4000113K120 L124 M134 A138 G140 E146K120-L142 HydrophobicContact CB-CD2 4.4Å; K120-L142 HydrophobicContact CD-CD2 4.04Å; K120-L142 HydrophobicContact CG-CD2 3.64Å; L124-L142 HydrophobicContact CD2-CD1 3.96Å; L124-L142 HydrophobicContact CD2-CD2 4.47Å; L124-L142 HydrophobicContact CG-CD2 4.45Å; M134-L142 HydrophobicContact CE-CD1 3.35Å; A138-L142 HydrophobicContact CB-CD1 4.1Å; A138-L142 WeakPolarHBondContact O-CB 3.47Å; A138-L142 VanDerWaalsContact O-CD1 3.3Å; A138-L142 WeakPolarHBondContact O-CD1 3.2Å; A138-L142 VanDerWaalsContact O-CG 3.29Å; A138-L142 WeakPolarHBondContact O-CG 3.24Å; A138-L142 PolarHBondContact O-N 2.88Å; A138-L142 VanDerWaalsContact O-N 3.08Å; G140-L142 VanDerWaalsContact C-N 3.32Å; G140-L142 PolarHBondContact O-N 3.16Å; L142-E146 WeakPolarHBondContact O-CB 3.29Å; L142-E146 PolarHBondContact O-N 2.76Å
143A64.5Low61.7Low53 Ų5385 Ų8544%0.43846%0.455SS..Hα-helixtrans-72.3-40.917600000111.6S139 G140 L145 E146 Q147S139-A143 WeakPolarHBondContact O-CB 3.47Å; S139-A143 PolarHBondContact O-N 3.38Å; G140-A143 PolarHBondContact O-N 3.07Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 3.42Å; A143-E146 WeakPolarHBondContact O-CB 3.31Å; A143-E146 PolarHBondContact O-N 3.48Å; A143-E146 VanDerWaalsContact O-N 3.1Å; A143-Q147 PolarHBondContact O-N 3.44Å
144E68.3Low61.7Low90 Ų9085 Ų8542%0.42145%0.451SS..Hα-helixtrans-60.7-43.3171.1-73.1180178.200111.4G140 E146 Q147 E148G140-E144 PolarHBondContact O-N 3.41Å; E144-E146 PolarHBondContact O-N 3.05Å; E144-Q147 PolarHBondContact O-N 3.04Å; E144-E148 WeakPolarHBondContact O-CG 3.32Å; E144-E148 PolarHBondContact O-N 3.2Å
145L67.4Low61.8Low16 Ų1693.1 Ų93.18%0.08448%0.478CS..Hα-helixtrans-62.1-31.4173.3-107.284.5000113.2L111 Y116 S119 K120 M123 V141 A143 E148 L149L111-L145 HydrophobicContact CD2-CD1 4.14Å; L111-L145 HydrophobicContact CD2-CD2 4.16Å; L111-L145 HydrophobicContact CD2-CG 4.49Å; Y116-L145 HydrophobicContact CD1-CD2 4.27Å; Y116-L145 HydrophobicContact CD1-CG 3.92Å; S119-L145 WeakPolarHBondContact OG-CD2 3.45Å; K120-L145 HydrophobicContact CB-CD2 4.15Å; M123-L145 HydrophobicContact SD-CD2 4.43Å; V141-L145 HydrophobicContact CG1-CD1 4.23Å; V141-L145 WeakPolarHBondContact O-CD1 3.41Å; V141-L145 PolarHBondContact O-N 2.98Å; V141-L145 VanDerWaalsContact O-N 3.07Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 3.42Å; L145-E148 PolarHBondContact O-N 3.25Å; L145-L149 PolarHBondContact O-N 3.19Å; L145-L149 VanDerWaalsContact O-N 3.13Å
146E65.5Low62.2Low105 Ų10589.5 Ų89.549%0.49146%0.458SS..Hα-helixtrans-74.8-38-179.2-170138.7-126.100111.6K120 L142 A143 E144 E148 L149K120-E146 IonicContact NZ-OE1 3.84Å; K120-E146 PolarHBondContact NZ-OE1 3.06Å; K120-E146 IonicContact NZ-OE2 3.82Å; K120-E146 PolarHBondContact NZ-OE2 3.2Å; L142-E146 WeakPolarHBondContact O-CB 3.29Å; L142-E146 PolarHBondContact O-N 2.76Å; A143-E146 WeakPolarHBondContact O-CB 3.31Å; A143-E146 PolarHBondContact O-N 3.48Å; A143-E146 VanDerWaalsContact O-N 3.1Å; E144-E146 PolarHBondContact O-N 3.05Å; E146-E148 PolarHBondContact O-N 3Å; E146-L149 WeakPolarHBondContact O-CB 3.37Å; E146-L149 PolarHBondContact O-N 3.11Å
147Q66.1Low63Low150 Ų15087.5 Ų87.570%0.70145%0.447SS*.Hα-helixtrans-61.2-33.1172.3-166.8172.25.500111.9A143 E144A143-Q147 PolarHBondContact O-N 3.44Å; E144-Q147 PolarHBondContact O-N 3.04Å
148E64.9Low64.1Low22 Ų2284 Ų8410%0.10343%0.433CS..THydrogen-bonded Turntrans-96.5-2.7-174.6-69.9-72.2126.200114Y116 E144 L145 E146 H150 K151 L404Y116-E148 HydrophobicContact CD2-CB 4.26Å; Y116-E148 VanDerWaalsContact CD2-O 3.26Å; Y116-E148 WeakPolarHBondContact CD2-O 3.4Å; Y116-E148 HydrophobicContact CE2-CB 3.9Å; E144-E148 WeakPolarHBondContact O-CG 3.32Å; E144-E148 PolarHBondContact O-N 3.2Å; L145-E148 PolarHBondContact O-N 3.25Å; E146-E148 PolarHBondContact O-N 3Å; E148-H150 PolarHBondContact O-N 3.39Å; E148-K151 PolarHBondContact O-N 3.5Å; E148-K151 WeakPolarHBondContact OE1-CE 3.36Å; E148-K151 IonicContact OE1-NZ 2.77Å; E148-K151 PolarHBondContact OE1-NZ 2.92Å; E148-K151 VanDerWaalsContact OE1-NZ 3.1Å; E148-K151 WeakPolarHBondContact OE2-CD 3.4Å; E148-K151 WeakPolarHBondContact OE2-CE 3.25Å; E148-K151 IonicContact OE2-NZ 2.77Å; E148-K151 PolarHBondContact OE2-NZ 3.41Å; E148-L404 VanDerWaalsContact CD-CD2 3.4Å; E148-L404 HydrophobicContact CG-CD1 4.31Å; E148-L404 HydrophobicContact CG-CD2 3.75Å; E148-L404 HydrophobicContact CG-CG 4.38Å; E148-L404 VanDerWaalsContact OE1-CD2 3.32Å; E148-L404 WeakPolarHBondContact OE1-CD2 3.45Å
149L65.7Low65Low45 Ų4587.6 Ų87.624%0.23645%0.452CS..THydrogen-bonded Turntrans-59.4-22.3-176.2-160.266.4000113.8K117 L145 E146K117-L149 HydrophobicContact CB-CD1 4.19Å; K117-L149 HydrophobicContact CG-CD1 3.4Å; K117-L149 HydrophobicContact CG-CD2 4.36Å; K117-L149 HydrophobicContact CG-CG 3.91Å; L145-L149 PolarHBondContact O-N 3.19Å; L145-L149 VanDerWaalsContact O-N 3.13Å; E146-L149 WeakPolarHBondContact O-CB 3.37Å; E146-L149 PolarHBondContact O-N 3.11Å
150H57.6Low65.9Low175 Ų17590.7 Ų90.781%0.8146%0.459SS*.THydrogen-bonded Turntrans-84.1-11.3-179.7-68.3-75.4000113.8E148E148-H150 PolarHBondContact O-N 3.39Å
151K62.7Low66.6Low91 Ų9189 Ų8940%0.39644%0.44SS..SBendtrans-69.9136.1175.4-70.7-165.7-174.9157.80110.6Y116 E148Y116-K151 HydrophobicContact CE2-CB 4.45Å; E148-K151 PolarHBondContact O-N 3.5Å; E148-K151 WeakPolarHBondContact OE1-CE 3.36Å; E148-K151 IonicContact OE1-NZ 2.77Å; E148-K151 PolarHBondContact OE1-NZ 2.92Å; E148-K151 VanDerWaalsContact OE1-NZ 3.1Å; E148-K151 WeakPolarHBondContact OE2-CD 3.4Å; E148-K151 WeakPolarHBondContact OE2-CE 3.25Å; E148-K151 IonicContact OE2-NZ 2.77Å; E148-K151 PolarHBondContact OE2-NZ 3.41Å
152K59.3Low67.1Low185 Ų18590.8 Ų90.880%0.80445%0.446SS*.PPolyproline II helixtrans-69.8143.3176.1-74.1-176.5179.8177.60110Q154K152-Q154 PolarHBondContact O-N 3Å
153P60.1Low67.6Low69 Ų6994.9 Ų94.945%0.44848%0.476SS..PPolyproline II helixtrans-60.1125.917924.1-32.8000110.3
154Q63.9Low68.3Low130 Ų13093 Ų9361%0.60746%0.459SS*.PPolyproline II helixtrans-84.4126.5177.2-74.9-164.5-4.600110T113 Q114 K152T113-Q154 PolarHBondContact O-N 3.43Å; Q114-Q154 HydrophobicContact CG-CB 4.39Å; Q114-Q154 HydrophobicContact CG-CG 4.46Å; K152-Q154 PolarHBondContact O-N 3Å
155R62.2Low69Low231 Ų23198.8 Ų98.887%0.87248%0.477SS*.  trans-97.6109.2169.3-64.8-174.8-178.1-177.60.8108.6
156S66.2Low69.6Low37 Ų37100.3 Ų100.326%0.25949%0.485SS..  trans-82.7120.2170.1-69.60000108.9
157C71.3Confident70.5Confident67 Ų6795.3 Ų95.345%0.45346%0.462SS..  trans-77.8138.7174.4-175.80000109.7V159 K160C157-V159 PolarHBondContact O-N 3.27Å; C157-V159 VanDerWaalsContact O-N 3.14Å; C157-K160 HydrophobicContact CB-CG 4.48Å; C157-K160 WeakPolarHBondContact O-CB 3.45Å; C157-K160 PolarHBondContact O-N 3.32Å
158I74.1Confident71.6Confident95 Ų9591.9 Ų91.949%0.48744%0.442SS..THydrogen-bonded Turntrans-55.9-31.4175.9-60.9170.8000110.9K160 M161I158-K160 PolarHBondContact O-N 3.11Å; I158-M161 HydrophobicContact CG2-CE 4.33Å; I158-M161 WeakPolarHBondContact O-CB 3.2Å; I158-M161 PolarHBondContact O-N 3.08Å
159V72.7Confident72.7Confident98 Ų9895 Ų9559%0.59446%0.455SS*.Hα-helixtrans-61.2-28.2177.6-176.10000112.2C157 M161 M162C157-V159 PolarHBondContact O-N 3.27Å; C157-V159 VanDerWaalsContact O-N 3.14Å; V159-M161 PolarHBondContact O-N 3.06Å; V159-M162 WeakPolarHBondContact O-CB 3.44Å; V159-M162 PolarHBondContact O-N 2.86Å; V159-M162 VanDerWaalsContact O-N 3.08Å
160K75.4Confident73.8Confident118 Ų11893 Ų9351%0.51345%0.445SS..Hα-helixtrans-64.8-23173.9-66.4-177.1177.4178.70112.5C157 I158 M162 S163 T164 L368C157-K160 HydrophobicContact CB-CG 4.48Å; C157-K160 WeakPolarHBondContact O-CB 3.45Å; C157-K160 PolarHBondContact O-N 3.32Å; I158-K160 PolarHBondContact O-N 3.11Å; K160-M162 VanDerWaalsContact C-N 3.27Å; K160-M162 PolarHBondContact O-N 3.08Å; K160-S163 VanDerWaalsContact O-CB 3.23Å; K160-S163 WeakPolarHBondContact O-CB 3.27Å; K160-S163 PolarHBondContact O-N 3.44Å; K160-S163 VanDerWaalsContact O-N 3.09Å; K160-T164 PolarHBondContact O-N 3.14Å; K160-L368 HydrophobicContact CB-CD1 4.49Å
161M76.7Confident75.4Confident3 Ų384.6 Ų84.62%0.01541%0.406CS..Hα-helixtrans-62.1-36172.6-170.1174.371.300112I158 V159 S163 T164 L167 W168 I305I158-M161 HydrophobicContact CG2-CE 4.33Å; I158-M161 WeakPolarHBondContact O-CB 3.2Å; I158-M161 PolarHBondContact O-N 3.08Å; V159-M161 PolarHBondContact O-N 3.06Å; M161-S163 PolarHBondContact O-N 3.04Å; M161-T164 PolarHBondContact O-N 3.23Å; M161-T164 PolarHBondContact O-OG1 3.14Å; M161-L167 HydrophobicContact CG-CD2 4.04Å; M161-L167 HydrophobicContact CG-CG 4.35Å; M161-W168 HydrophobicContact CE-CE3 4.04Å; M161-W168 HydrophobicContact CE-CZ3 3.76Å; M161-I305 HydrophobicContact CB-CD1 3.8Å; M161-I305 HydrophobicContact CG-CD1 3.72Å; M161-I305 HydrophobicContact SD-CD1 4.05Å
162M77.9Confident76.9Confident110 Ų11083 Ų8354%0.54240%0.404SS..Hα-helixtrans-69.7-22.5176.7-62.7178.567.400111.9V159 K160 W168V159-M162 WeakPolarHBondContact O-CB 3.44Å; V159-M162 PolarHBondContact O-N 2.86Å; V159-M162 VanDerWaalsContact O-N 3.08Å; K160-M162 VanDerWaalsContact C-N 3.27Å; K160-M162 PolarHBondContact O-N 3.08Å; M162-W168 HydrophobicContact CB-CD2 4.43Å; M162-W168 HydrophobicContact CB-CE3 4.31Å; M162-W168 HydrophobicContact CE-CH2 4.17Å; M162-W168 HydrophobicContact CE-CZ2 4.03Å; M162-W168 HydrophobicContact CG-CD2 4.12Å; M162-W168 HydrophobicContact CG-CE3 3.68Å; M162-W168 HydrophobicContact CG-CH2 3.73Å; M162-W168 HydrophobicContact CG-CZ2 4.16Å; M162-W168 HydrophobicContact CG-CZ3 3.47Å; M162-W168 VanDerWaalsContact CG-CZ3 3.47Å; M162-W168 HydrophobicContact SD-CH2 4.18Å; M162-W168 HydrophobicContact SD-CZ3 4.43Å
163S77Confident78.4Confident103 Ų10375 Ų7572%0.7237%0.371SS*.Hα-helixtrans-75-27.7176.6-164.20000112.5K160 M161 R165K160-S163 VanDerWaalsContact O-CB 3.23Å; K160-S163 WeakPolarHBondContact O-CB 3.27Å; K160-S163 PolarHBondContact O-N 3.44Å; K160-S163 VanDerWaalsContact O-N 3.09Å; M161-S163 PolarHBondContact O-N 3.04Å; S163-R165 PolarHBondContact O-N 3.25Å
164T80.4Confident80Confident13 Ų1371.7 Ų71.78%0.0835%0.349CS..  trans-84.5104.7178.246.30000110.8K160 M161 N166 W168 L368K160-T164 PolarHBondContact O-N 3.14Å; M161-T164 PolarHBondContact O-N 3.23Å; M161-T164 PolarHBondContact O-OG1 3.14Å; T164-N166 PolarHBondContact O-N 3.25Å; T164-W168 VanDerWaalsContact O-CB 3.26Å; T164-W168 WeakPolarHBondContact O-CB 3.42Å; T164-W168 PolarHBondContact O-N 2.97Å; T164-L368 HydrophobicContact CG2-CD2 3.91Å
165R81.6Confident81.5Confident211 Ų21166.2 Ų66.280%0.79633%0.325SS*.Hα-helixtrans-61.5-43.8-169.4-170.4176.6-177.5179.30.6113.7S163 K169S163-R165 PolarHBondContact O-N 3.25Å; R165-K169 VanDerWaalsContact O-CB 3.31Å; R165-K169 WeakPolarHBondContact O-CB 3.49Å; R165-K169 PolarHBondContact O-N 3.47Å
166N81.5Confident83Confident49 Ų4958.3 Ų58.326%0.26230%0.302SS..Hα-helixtrans-70.5-46-177.4-71.3-26.3000112.1T164 K169 N170 E372T164-N166 PolarHBondContact O-N 3.25Å; N166-K169 PolarHBondContact O-N 3.25Å; N166-N170 VanDerWaalsContact O-CG 3.26Å; N166-N170 PolarHBondContact O-N 3.35Å; N166-N170 VanDerWaalsContact O-N 3.07Å; N166-N170 PolarHBondContact O-ND2 2.96Å; N166-E372 PolarHBondContact ND2-O 3Å
167L83.6Confident84.3Confident0 Ų056.6 Ų56.60%029%0.29CS..Hα-helixtrans-64-48.1178-179.561000110.9M161 K169 N170 I171 I300 P302 I305M161-L167 HydrophobicContact CG-CD2 4.04Å; M161-L167 HydrophobicContact CG-CG 4.35Å; L167-K169 VanDerWaalsContact C-N 3.32Å; L167-K169 PolarHBondContact O-N 3.48Å; L167-N170 PolarHBondContact O-N 3.17Å; L167-N170 VanDerWaalsContact O-N 3.16Å; L167-I171 HydrophobicContact CD1-CG1 4.3Å; L167-I171 WeakPolarHBondContact O-CG1 3.48Å; L167-I171 PolarHBondContact O-N 3.43Å; L167-I300 HydrophobicContact CD1-CG2 4.04Å; L167-P302 HydrophobicContact CD2-CG 3.92Å; L167-I305 HydrophobicContact CD2-CD1 3.74Å
168W88.4Confident85.4Confident78 Ų7853.4 Ų53.430%0.29527%0.268SS..Hα-helixtrans-57.9-44.7177.4-177-110000111.9M161 M162 T164 N170 I171 V172 L312M161-W168 HydrophobicContact CE-CE3 4.04Å; M161-W168 HydrophobicContact CE-CZ3 3.76Å; M162-W168 HydrophobicContact CB-CD2 4.43Å; M162-W168 HydrophobicContact CB-CE3 4.31Å; M162-W168 HydrophobicContact CE-CH2 4.17Å; M162-W168 HydrophobicContact CE-CZ2 4.03Å; M162-W168 HydrophobicContact CG-CD2 4.12Å; M162-W168 HydrophobicContact CG-CE3 3.68Å; M162-W168 HydrophobicContact CG-CH2 3.73Å; M162-W168 HydrophobicContact CG-CZ2 4.16Å; M162-W168 HydrophobicContact CG-CZ3 3.47Å; M162-W168 VanDerWaalsContact CG-CZ3 3.47Å; M162-W168 HydrophobicContact SD-CH2 4.18Å; M162-W168 HydrophobicContact SD-CZ3 4.43Å; T164-W168 VanDerWaalsContact O-CB 3.26Å; T164-W168 WeakPolarHBondContact O-CB 3.42Å; T164-W168 PolarHBondContact O-N 2.97Å; W168-N170 PolarHBondContact O-N 3.24Å; W168-I171 PolarHBondContact O-N 3.28Å; W168-V172 HydrophobicContact CD2-CG2 4.11Å; W168-V172 HydrophobicContact CG-CG2 4.35Å; W168-V172 HydrophobicContact CZ2-CG2 4.01Å; W168-V172 VanDerWaalsContact O-CG2 3.3Å; W168-V172 WeakPolarHBondContact O-CG2 3.39Å; W168-V172 PolarHBondContact O-N 3.33Å; W168-L312 HydrophobicContact CH2-CD2 3.96Å; W168-L312 HydrophobicContact CZ3-CD2 3.89Å
169K89Confident86.4Confident86 Ų8651.7 Ų51.737%0.37426%0.26SS..Hα-helixtrans-56-48.5175.1-173.4-169.675.1178.40111.7R165 N166 L167 I171 V172 V173R165-K169 VanDerWaalsContact O-CB 3.31Å; R165-K169 WeakPolarHBondContact O-CB 3.49Å; R165-K169 PolarHBondContact O-N 3.47Å; N166-K169 PolarHBondContact O-N 3.25Å; L167-K169 VanDerWaalsContact C-N 3.32Å; L167-K169 PolarHBondContact O-N 3.48Å; K169-I171 VanDerWaalsContact C-N 3.34Å; K169-I171 PolarHBondContact O-N 3.16Å; K169-V172 PolarHBondContact O-N 3.4Å; K169-V173 WeakPolarHBondContact O-CG2 3.29Å; K169-V173 PolarHBondContact O-N 3.39Å
170N88.9Confident87.4Confident3 Ų347.1 Ų47.12%0.01623%0.232CC..Hα-helixtrans-62.8-41.1-179.5-66.6-16.2000111.5N166 L167 W168 V173 L174 I300N166-N170 VanDerWaalsContact O-CG 3.26Å; N166-N170 PolarHBondContact O-N 3.35Å; N166-N170 VanDerWaalsContact O-N 3.07Å; N166-N170 PolarHBondContact O-ND2 2.96Å; L167-N170 PolarHBondContact O-N 3.17Å; L167-N170 VanDerWaalsContact O-N 3.16Å; W168-N170 PolarHBondContact O-N 3.24Å; N170-V173 PolarHBondContact O-N 2.95Å; N170-L174 VanDerWaalsContact O-CG 3.29Å; N170-L174 WeakPolarHBondContact O-CG 3.36Å; N170-L174 PolarHBondContact O-N 3.47Å; N170-L174 VanDerWaalsContact O-N 3.07Å; N170-I300 HydrophobicContact CB-CG2 4.38Å
171I91.2Very high88.3Confident0 Ų041.6 Ų41.60%021%0.209CC..Hα-helixtrans-66.7-43.7177.4-61.3-61.4000111.7L167 W168 K169 V173 L174 C175 T301 L312 V313L167-I171 HydrophobicContact CD1-CG1 4.3Å; L167-I171 WeakPolarHBondContact O-CG1 3.48Å; L167-I171 PolarHBondContact O-N 3.43Å; W168-I171 PolarHBondContact O-N 3.28Å; K169-I171 VanDerWaalsContact C-N 3.34Å; K169-I171 PolarHBondContact O-N 3.16Å; I171-V173 VanDerWaalsContact C-N 3.32Å; I171-V173 PolarHBondContact O-N 3.11Å; I171-L174 PolarHBondContact O-N 3.07Å; I171-C175 PolarHBondContact O-N 2.91Å; I171-C175 PolarHBondContact O-SG 3.45Å; I171-T301 HydrophobicContact CD1-CG2 3.27Å; I171-T301 HydrophobicContact CG1-CG2 4.33Å; I171-L312 HydrophobicContact CG2-CD2 3.89Å; I171-V313 HydrophobicContact CG2-CG2 4.47Å
172V92.8Very high89.1Confident56 Ų5642.9 Ų42.934%0.33921%0.214SC..Hα-helixtrans-59.4-44.6176.9169.90000110.7W168 K169 L174 C175 V176W168-V172 HydrophobicContact CD2-CG2 4.11Å; W168-V172 HydrophobicContact CG-CG2 4.35Å; W168-V172 HydrophobicContact CZ2-CG2 4.01Å; W168-V172 VanDerWaalsContact O-CG2 3.3Å; W168-V172 WeakPolarHBondContact O-CG2 3.39Å; W168-V172 PolarHBondContact O-N 3.33Å; K169-V172 PolarHBondContact O-N 3.4Å; V172-L174 VanDerWaalsContact C-N 3.33Å; V172-L174 PolarHBondContact O-N 3.14Å; V172-C175 WeakPolarHBondContact O-CB 3.27Å; V172-C175 PolarHBondContact O-N 3.32Å; V172-V176 WeakPolarHBondContact O-CG2 3.44Å; V172-V176 PolarHBondContact O-N 3.48Å
173V92.6Very high89.8Confident18 Ų1837.7 Ų37.711%0.10919%0.188CC..Hα-helixtrans-60.3-44.3176.4173.50000111.3K169 N170 I171 C175 V176 N177 C352 L353 L356K169-V173 WeakPolarHBondContact O-CG2 3.29Å; K169-V173 PolarHBondContact O-N 3.39Å; N170-V173 PolarHBondContact O-N 2.95Å; I171-V173 VanDerWaalsContact C-N 3.32Å; I171-V173 PolarHBondContact O-N 3.11Å; V173-C175 VanDerWaalsContact C-N 3.31Å; V173-C175 PolarHBondContact O-N 3.22Å; V173-V176 PolarHBondContact O-N 3.27Å; V173-N177 WeakPolarHBondContact O-CB 3.34Å; V173-N177 PolarHBondContact O-N 3.47Å; V173-C352 HydrophobicContact CB-CB 4.44Å; V173-C352 HydrophobicContact CG1-CB 3.63Å; V173-C352 HydrophobicContact CG2-CB 4Å; V173-L353 HydrophobicContact CG1-CD2 4.35Å; V173-L356 HydrophobicContact CB-CD1 3.75Å; V173-L356 HydrophobicContact CG1-CD1 3.36Å; V173-L356 HydrophobicContact CG1-CD2 4.46Å; V173-L356 HydrophobicContact CG2-CD1 4.18Å
174L93.3Very high90.5Very high0 Ų032.8 Ų32.80%015%0.154CC..Hα-helixtrans-66.5-32.1177.3-67.7166.4000112.8N170 I171 V172 S178 L234 S293 F296 C297 V313 L356N170-L174 VanDerWaalsContact O-CG 3.29Å; N170-L174 WeakPolarHBondContact O-CG 3.36Å; N170-L174 PolarHBondContact O-N 3.47Å; N170-L174 VanDerWaalsContact O-N 3.07Å; I171-L174 PolarHBondContact O-N 3.07Å; V172-L174 VanDerWaalsContact C-N 3.33Å; V172-L174 PolarHBondContact O-N 3.14Å; L174-S178 WeakPolarHBondContact O-CB 3.36Å; L174-S178 PolarHBondContact O-N 3.49Å; L174-L234 HydrophobicContact CD2-CD2 4.44Å; L174-S293 PolarHBondContact O-OG 3.39Å; L174-S293 VanDerWaalsContact O-OG 3.05Å; L174-F296 HydrophobicContact CD1-CD1 3.78Å; L174-F296 HydrophobicContact CD1-CE1 4.43Å; L174-F296 HydrophobicContact CD2-CB 4.23Å; L174-F296 HydrophobicContact CD2-CD1 3.65Å; L174-F296 HydrophobicContact CD2-CE1 4.31Å; L174-F296 HydrophobicContact CD2-CG 4.26Å; L174-F296 HydrophobicContact CG-CD1 4.27Å; L174-C297 HydrophobicContact CD1-CB 3.89Å; L174-V313 HydrophobicContact CB-CG2 4.07Å; L174-L356 HydrophobicContact CD2-CD2 3.77Å; L174-L356 HydrophobicContact CG-CD2 4.1Å
175C94.8Very high91.1Very high15 Ų1533.2 Ų33.210%0.10116%0.155CC..Hα-helixtrans-65.9-48.3175.1-68.50000111.1I171 V172 V173 N177 S178 L179 S316I171-C175 PolarHBondContact O-N 2.91Å; I171-C175 PolarHBondContact O-SG 3.45Å; V172-C175 WeakPolarHBondContact O-CB 3.27Å; V172-C175 PolarHBondContact O-N 3.32Å; V173-C175 VanDerWaalsContact C-N 3.31Å; V173-C175 PolarHBondContact O-N 3.22Å; C175-N177 VanDerWaalsContact C-N 3.33Å; C175-S178 PolarHBondContact O-N 2.94Å; C175-L179 VanDerWaalsContact O-CB 3.32Å; C175-L179 WeakPolarHBondContact O-CB 3.45Å; C175-L179 PolarHBondContact O-N 2.98Å; C175-S316 VanDerWaalsContact CA-OG 3.27Å; C175-S316 WeakPolarHBondContact CA-OG 3.4Å; C175-S316 WeakPolarHBondContact O-CB 3.19Å; C175-S316 PolarHBondContact O-OG 3.33Å
176V94.2Very high91.4Very high64 Ų6425.6 Ų25.639%0.38813%0.128SC..Hα-helixtrans-63.9-41177.9178.40000110.6V172 V173 L179 T180V172-V176 WeakPolarHBondContact O-CG2 3.44Å; V172-V176 PolarHBondContact O-N 3.48Å; V173-V176 PolarHBondContact O-N 3.27Å; V176-L179 PolarHBondContact O-N 2.93Å; V176-T180 WeakPolarHBondContact O-CB 3.5Å; V176-T180 PolarHBondContact O-N 2.81Å; V176-T180 PolarHBondContact O-OG1 3Å
177N93.8Very high91.7Very high1 Ų123.3 Ų23.31%0.00512%0.116CC..Hα-helixtrans-60.7-46.1175.9-176.384.8000112V173 C175 G181 M238 V289 S293V173-N177 WeakPolarHBondContact O-CB 3.34Å; V173-N177 PolarHBondContact O-N 3.47Å; C175-N177 VanDerWaalsContact C-N 3.33Å; N177-G181 PolarHBondContact O-N 3.07Å; N177-M238 WeakPolarHBondContact OD1-CE 3.25Å; N177-V289 WeakPolarHBondContact ND2-CG1 3.24Å; N177-S293 WeakPolarHBondContact ND2-CB 3.38Å; N177-S293 PolarHBondContact ND2-OG 3.09Å
178S94Very high92Very high0 Ų023.3 Ų23.30%012%0.116CC..Hα-helixtrans-70.5-39.3179-165.50000112.9L174 C175 G181 Y182 A317L174-S178 WeakPolarHBondContact O-CB 3.36Å; L174-S178 PolarHBondContact O-N 3.49Å; C175-S178 PolarHBondContact O-N 2.94Å; S178-G181 PolarHBondContact O-N 3.04Å; S178-Y182 WeakPolarHBondContact O-CD2 3.35Å; S178-Y182 PolarHBondContact O-N 3.36Å; S178-A317 WeakPolarHBondContact OG-CB 3.45Å
179L94.9Very high91.9Very high59 Ų5920.1 Ų20.131%0.30911%0.106SC..Hα-helixtrans-57.7-50.5173171.163.8000110.8C175 V176 G183 S316 F319 G320C175-L179 VanDerWaalsContact O-CB 3.32Å; C175-L179 WeakPolarHBondContact O-CB 3.45Å; C175-L179 PolarHBondContact O-N 2.98Å; V176-L179 PolarHBondContact O-N 2.93Å; L179-G183 PolarHBondContact O-N 3.39Å; L179-S316 WeakPolarHBondContact CD1-O 3.35Å; L179-F319 HydrophobicContact CD1-CB 3.77Å; L179-G320 VanDerWaalsContact CD1-N 3.32Å
180T94.3Very high91.6Very high2 Ų219 Ų191%0.01210%0.1CC..Hα-helixtrans-66.7-41.3-178.5-53.50000111.3V176 G183 I184 F342 C345 T346V176-T180 WeakPolarHBondContact O-CB 3.5Å; V176-T180 PolarHBondContact O-N 2.81Å; V176-T180 PolarHBondContact O-OG1 3Å; T180-G183 PolarHBondContact O-N 3Å; T180-I184 WeakPolarHBondContact O-CB 3.46Å; T180-I184 VanDerWaalsContact O-CG2 3.27Å; T180-I184 WeakPolarHBondContact O-CG2 3.25Å; T180-I184 PolarHBondContact O-N 3.43Å; T180-F342 HydrophobicContact CG2-CD1 4.39Å; T180-C345 HydrophobicContact CG2-CB 3.72Å; T180-T346 HydrophobicContact CG2-CG2 3.4Å
181G93.8Very high91.1Very high2 Ų220 Ų202%0.02111%0.107CC..Hα-helixtrans-60.5-51.3177.800000112.9N177 S178 H185 S290N177-G181 PolarHBondContact O-N 3.07Å; S178-G181 PolarHBondContact O-N 3.04Å; G181-H185 VanDerWaalsContact O-CB 3.3Å; G181-H185 WeakPolarHBondContact O-CB 3.14Å; G181-H185 PolarHBondContact O-N 3.47Å; G181-H185 VanDerWaalsContact O-N 3.14Å; G181-S290 WeakPolarHBondContact CA-OG 3.44Å
182Y92.6Very high90.4Very high31 Ų3121.4 Ų21.412%0.12211%0.114CC..Hα-helixtrans-70-35.9177.1-81.9-72.5000112.7S178 H186 S290 I294 A317 M321S178-Y182 WeakPolarHBondContact O-CD2 3.35Å; S178-Y182 PolarHBondContact O-N 3.36Å; Y182-H186 PolarHBondContact O-CD2 3.04Å; Y182-H186 PolarHBondContact O-N 3.42Å; Y182-S290 VanDerWaalsContact CE2-CB 3.45Å; Y182-S290 PolarHBondContact N-OG 3.42Å; Y182-I294 HydrophobicContact CE2-CD1 4.19Å; Y182-A317 HydrophobicContact CD2-CB 3.37Å; Y182-A317 HydrophobicContact CE2-CB 3.46Å; Y182-A317 VanDerWaalsContact CE2-CB 3.46Å; Y182-A317 HydrophobicContact CG-CB 4.36Å; Y182-M321 HydrophobicContact CD1-CG 4.03Å; Y182-M321 HydrophobicContact CG-CG 4.32Å
183G92.6Very high89.3Confident0 Ų021.5 Ų21.50%011%0.111CC..Hα-helixtrans-62.2-52.9176.800000112.5L179 T180 H185 H186 C187 G320L179-G183 PolarHBondContact O-N 3.39Å; T180-G183 PolarHBondContact O-N 3Å; G183-H185 VanDerWaalsContact C-N 3.31Å; G183-H185 PolarHBondContact O-N 3.1Å; G183-H186 PolarHBondContact O-N 3.18Å; G183-C187 PolarHBondContact O-N 2.82Å; G183-G320 WeakPolarHBondContact CA-O 3.5Å
184I93.1Very high87.8Confident0 Ų024 Ų240%012%0.124CC..Hα-helixtrans-68.8-30.4-178.3-154.2167.8000112.7T180 H186 C187 F188 T241 F342 T346T180-I184 WeakPolarHBondContact O-CB 3.46Å; T180-I184 VanDerWaalsContact O-CG2 3.27Å; T180-I184 WeakPolarHBondContact O-CG2 3.25Å; T180-I184 PolarHBondContact O-N 3.43Å; I184-H186 VanDerWaalsContact C-N 3.27Å; I184-H186 PolarHBondContact O-N 3.07Å; I184-C187 WeakPolarHBondContact O-CA 3.34Å; I184-C187 WeakPolarHBondContact O-CB 3.5Å; I184-C187 PolarHBondContact O-N 3.37Å; I184-F188 HydrophobicContact CB-CE2 4.42Å; I184-F188 HydrophobicContact CD1-CE2 4.06Å; I184-F188 HydrophobicContact CD1-CZ 4.2Å; I184-F188 HydrophobicContact CG1-CD2 4.22Å; I184-F188 HydrophobicContact CG1-CE2 3.71Å; I184-F188 HydrophobicContact CG1-CZ 4.18Å; I184-F188 HydrophobicContact CG2-CD2 4.46Å; I184-F188 HydrophobicContact CG2-CE2 4.07Å; I184-F188 WeakPolarHBondContact O-CD2 3.44Å; I184-F188 PolarHBondContact O-N 3.11Å; I184-T241 HydrophobicContact CD1-CG2 4.44Å; I184-T241 HydrophobicContact CG2-CG2 3.77Å; I184-F342 HydrophobicContact CB-CB 4.11Å; I184-F342 HydrophobicContact CD1-CB 4.29Å; I184-F342 HydrophobicContact CG1-CB 4.11Å; I184-T346 HydrophobicContact CD1-CG2 3.66Å; I184-T346 HydrophobicContact CG2-CG2 4.45Å
185H92.3Very high85.9Confident23 Ų2329.2 Ų29.211%0.10616%0.158CC..Hα-helixtrans-54.3-44.8173.1178.8-80.8000111.6G181 G183 C187 F188 A189 M283 S286G181-H185 VanDerWaalsContact O-CB 3.3Å; G181-H185 WeakPolarHBondContact O-CB 3.14Å; G181-H185 PolarHBondContact O-N 3.47Å; G181-H185 VanDerWaalsContact O-N 3.14Å; G183-H185 VanDerWaalsContact C-N 3.31Å; G183-H185 PolarHBondContact O-N 3.1Å; H185-C187 VanDerWaalsContact C-N 3.33Å; H185-C187 PolarHBondContact O-N 3.45Å; H185-F188 PolarHBondContact O-N 3.15Å; H185-A189 WeakPolarHBondContact O-CB 3.16Å; H185-A189 PolarHBondContact O-N 3.42Å; H185-M283 VanDerWaalsContact CD2-CG 3.4Å; H185-M283 WeakPolarHBondContact CD2-CG 3.4Å; H185-M283 PolarHBondContact CD2-O 3.18Å; H185-M283 WeakPolarHBondContact NE2-CG 3.42Å; H185-S286 WeakPolarHBondContact CA-OG 3.49Å; H185-S286 WeakPolarHBondContact CB-OG 3.45Å
186H88.6Confident83.7Confident51 Ų5137.4 Ų37.424%0.23620%0.195CC..Hα-helixtrans-70.8-28.4177.4-72.9-67.2000113.1Y182 G183 I184 A189 R190 A324Y182-H186 PolarHBondContact O-CD2 3.04Å; Y182-H186 PolarHBondContact O-N 3.42Å; G183-H186 PolarHBondContact O-N 3.18Å; I184-H186 VanDerWaalsContact C-N 3.27Å; I184-H186 PolarHBondContact O-N 3.07Å; H186-A189 PolarHBondContact O-N 3.42Å; H186-R190 PolarHBondContact O-N 3.45Å; H186-A324 HydrophobicContact CB-CB 4.16Å
187C87.6Confident81.4Confident0 Ų036.5 Ų36.50%019%0.194CC..Hα-helixtrans-66-40.3171.2-61.30000112.2G183 I184 H185 S191 M327 Y335 H339G183-C187 PolarHBondContact O-N 2.82Å; I184-C187 WeakPolarHBondContact O-CA 3.34Å; I184-C187 WeakPolarHBondContact O-CB 3.5Å; I184-C187 PolarHBondContact O-N 3.37Å; H185-C187 VanDerWaalsContact C-N 3.33Å; H185-C187 PolarHBondContact O-N 3.45Å; C187-S191 PolarHBondContact O-N 3.02Å; C187-S191 PolarHBondContact O-OG 3.45Å; C187-S191 VanDerWaalsContact O-OG 3.11Å; C187-M327 HydrophobicContact CB-CE 4.48Å; C187-Y335 PolarHBondContact O-OH 3.41Å; C187-H339 WeakPolarHBondContact CB-ND1 3.19Å
188F89.4Confident78.9Confident0 Ų043.9 Ų43.90%023%0.229CC..Hα-helixtrans-69.8-40.5173.1-68-57000112.3I184 H185 R190 S191 M192 T241 A244 Q248 G282 M283I184-F188 HydrophobicContact CB-CE2 4.42Å; I184-F188 HydrophobicContact CD1-CE2 4.06Å; I184-F188 HydrophobicContact CD1-CZ 4.2Å; I184-F188 HydrophobicContact CG1-CD2 4.22Å; I184-F188 HydrophobicContact CG1-CE2 3.71Å; I184-F188 HydrophobicContact CG1-CZ 4.18Å; I184-F188 HydrophobicContact CG2-CD2 4.46Å; I184-F188 HydrophobicContact CG2-CE2 4.07Å; I184-F188 WeakPolarHBondContact O-CD2 3.44Å; I184-F188 PolarHBondContact O-N 3.11Å; H185-F188 PolarHBondContact O-N 3.15Å; F188-R190 VanDerWaalsContact C-N 3.3Å; F188-R190 PolarHBondContact O-N 3.34Å; F188-S191 WeakPolarHBondContact O-CB 3.43Å; F188-S191 PolarHBondContact O-N 3Å; F188-M192 PolarHBondContact O-N 3.24Å; F188-T241 HydrophobicContact CE2-CG2 4.05Å; F188-A244 HydrophobicContact CE1-CB 4.38Å; F188-A244 HydrophobicContact CZ-CB 4.15Å; F188-Q248 HydrophobicContact CE1-CB 4.45Å; F188-G282 VanDerWaalsContact CD2-C 3.41Å; F188-M283 HydrophobicContact CB-CB 4.27Å
189A86.8Confident76.8Confident11 Ų1149.3 Ų49.39%0.09126%0.263CS..Hα-helixtrans-55.6-47.4174.700000111.4H185 H186 S191 M192 M193 M210 M283H185-A189 WeakPolarHBondContact O-CB 3.16Å; H185-A189 PolarHBondContact O-N 3.42Å; H186-A189 PolarHBondContact O-N 3.42Å; A189-S191 PolarHBondContact O-N 3.32Å; A189-M192 WeakPolarHBondContact O-CB 3.17Å; A189-M192 PolarHBondContact O-N 3.38Å; A189-M192 VanDerWaalsContact O-N 3.17Å; A189-M193 WeakPolarHBondContact O-CG 3.32Å; A189-M193 PolarHBondContact O-N 3.21Å; A189-M210 HydrophobicContact CB-CE 3.34Å; A189-M210 HydrophobicContact CB-SD 4.2Å; A189-M283 HydrophobicContact CB-CE 4.08Å
190R81.6Confident74.5Confident64 Ų6452.8 Ų52.824%0.24229%0.287CS..Hα-helixtrans-64.4-37.7177.7-168.3178.6-170.91006.4112.9H186 F188 M192 M193 M327 E328 Y335H186-R190 PolarHBondContact O-N 3.45Å; F188-R190 VanDerWaalsContact C-N 3.3Å; F188-R190 PolarHBondContact O-N 3.34Å; R190-M192 PolarHBondContact O-N 2.75Å; R190-M193 PolarHBondContact O-N 3.04Å; R190-M327 HydrophobicContact CB-CE 4.12Å; R190-E328 IonicContact CZ-OE2 2.68Å; R190-E328 VanDerWaalsContact CZ-OE2 3.29Å; R190-E328 IonicContact NH1-OE2 2.84Å; R190-E328 PolarHBondContact NH1-OE2 3.01Å; R190-E328 IonicContact NH2-OE2 3.87Å; R190-E328 PolarHBondContact NH2-OE2 3.32Å; R190-Y335 HydrophobicContact CB-CE2 4.27Å; R190-Y335 HydrophobicContact CG-CE2 4.41Å
191S79.9Confident72.1Confident24 Ų2456.5 Ų56.517%0.16832%0.318CS..Hα-helixtrans-62.8-27.4175.4-57.10000113.8C187 F188 A189 Q248 S279 Y335C187-S191 PolarHBondContact O-N 3.02Å; C187-S191 PolarHBondContact O-OG 3.45Å; C187-S191 VanDerWaalsContact O-OG 3.11Å; F188-S191 WeakPolarHBondContact O-CB 3.43Å; F188-S191 PolarHBondContact O-N 3Å; A189-S191 PolarHBondContact O-N 3.32Å; S191-Q248 PolarHBondContact OG-NE2 3.46Å; S191-S279 WeakPolarHBondContact CB-OG 3.31Å; S191-Y335 PolarHBondContact OG-OH 2.93Å
192M76.5Confident70.1Confident28 Ų2859.8 Ų59.814%0.13834%0.335CS..Hα-helixtrans-77.8-30177.3-170.3-176.380.600111.9F188 A189 R190 D194 T209 M210 I280 M283F188-M192 PolarHBondContact O-N 3.24Å; A189-M192 WeakPolarHBondContact O-CB 3.17Å; A189-M192 PolarHBondContact O-N 3.38Å; A189-M192 VanDerWaalsContact O-N 3.17Å; R190-M192 PolarHBondContact O-N 2.75Å; M192-D194 PolarHBondContact O-N 2.91Å; M192-T209 VanDerWaalsContact CE-OG1 3.32Å; M192-T209 WeakPolarHBondContact CE-OG1 3.33Å; M192-M210 HydrophobicContact CE-CE 3.73Å; M192-I280 HydrophobicContact SD-CG1 4.23Å; M192-M283 HydrophobicContact CE-CE 4.41Å; M192-M283 HydrophobicContact SD-CE 4.03Å
193M69.1Low68.4Low58 Ų5862.3 Ų62.329%0.28636%0.356SS..SBendtrans-81.394.4179.4-56.4-49.2173.900110.2A189 R190 P195 D206 M210A189-M193 WeakPolarHBondContact O-CG 3.32Å; A189-M193 PolarHBondContact O-N 3.21Å; R190-M193 PolarHBondContact O-N 3.04Å; M193-P195 WeakPolarHBondContact O-CD 3.26Å; M193-D206 HydrophobicContact CE-CB 3.44Å; M193-D206 VanDerWaalsContact CE-CB 3.44Å; M193-D206 HydrophobicContact SD-CB 3.67Å; M193-D206 VanDerWaalsContact SD-OD1 3.39Å; M193-M210 HydrophobicContact CE-CE 3.4Å; M193-M210 VanDerWaalsContact CE-CE 3.4Å
194D59.7Low67.1Low71 Ų7166.8 Ų66.838%0.3838%0.377SS..  trans-63.1124.4169.6-96.3-27.4000109.5M192 E196 R272M192-D194 PolarHBondContact O-N 2.91Å; D194-E196 PolarHBondContact O-N 3.37Å; D194-E196 VanDerWaalsContact O-N 3.14Å; D194-R272 IonicContact OD2-CZ 2.72Å; D194-R272 IonicContact OD2-NH1 3.18Å; D194-R272 PolarHBondContact OD2-NH1 3.03Å
195P54.3Low66.1Low110 Ų11070.2 Ų70.271%0.71440%0.398SS*.THydrogen-bonded Turntrans-65.3-10.8175.4-19.530.6000115M193M193-P195 WeakPolarHBondContact O-CD 3.26Å
196E48.3Very low65.3Low187 Ų18771.5 Ų71.587%0.87441%0.406SS*.THydrogen-bonded Turntrans-97.1-2-171.7-75.1-94.8138.800113.8D194D194-E196 PolarHBondContact O-N 3.37Å; D194-E196 VanDerWaalsContact O-N 3.14Å
197A46.2Very low65Low45 Ų4572.6 Ų72.637%0.37241%0.408SS..SBendtrans-90.8129.9-179.100000111.9L202A197-L202 HydrophobicContact CB-CD1 4.1Å; A197-L202 HydrophobicContact CB-CD2 3.59Å; A197-L202 HydrophobicContact CB-CG 4.39Å
198Q41.3Very low64.9Low156 Ų15677.3 Ų77.373%0.72943%0.427SS*.  trans-52.5140.4-166.8-155.9148.5-21.500115.1T200Q198-T200 PolarHBondContact O-N 3.08Å
199P50.9Low64.7Low113 Ų11379.8 Ų79.873%0.73444%0.442SS*.THydrogen-bonded Turntrans-73.8-15.2-155-1831.1000117.5
200T45.9Very low64.6Low132 Ų13281 Ų8181%0.8145%0.446SS*.THydrogen-bonded Turntrans-110.6-22.7-16041.10000115.8Q198Q198-T200 PolarHBondContact O-N 3.08Å
201A44.7Very low64.9Low80 Ų8078 Ų7866%0.66144%0.435SS*.THydrogen-bonded Turntrans-107.2-20.9178.400000113.9
202L51.3Low65.4Low71 Ų7178.6 Ų78.637%0.37245%0.445SS..Hα-helixtrans-84.2-21.2-178.4-10099.7000114.9A197 H204 T205 D206A197-L202 HydrophobicContact CB-CD1 4.1Å; A197-L202 HydrophobicContact CB-CD2 3.59Å; A197-L202 HydrophobicContact CB-CG 4.39Å; L202-H204 PolarHBondContact O-N 3.22Å; L202-H204 VanDerWaalsContact O-N 3.15Å; L202-T205 WeakPolarHBondContact O-CA 3.44Å; L202-T205 WeakPolarHBondContact O-CB 3.19Å; L202-T205 PolarHBondContact O-N 3.38Å; L202-D206 PolarHBondContact O-N 3.19Å; L202-D206 VanDerWaalsContact O-N 3.13Å
203C55.5Low66Low84 Ų8478 Ų7857%0.56844%0.442SS*.Hα-helixtrans-60.2-31.4-174.5-175.90000112.9
204H67Low67Low94 Ų9475.6 Ų75.644%0.43543%0.432SS..Hα-helixtrans-77.4-36.1173.8-73.525.7000112.2L202 D206 Y207 Y208L202-H204 PolarHBondContact O-N 3.22Å; L202-H204 VanDerWaalsContact O-N 3.15Å; H204-D206 VanDerWaalsContact C-N 3.32Å; H204-D206 PolarHBondContact O-N 3.04Å; H204-Y207 WeakPolarHBondContact O-CB 3.34Å; H204-Y207 PolarHBondContact O-N 2.77Å; H204-Y208 HydrophobicContact CB-CD2 4.22Å; H204-Y208 HydrophobicContact CB-CE2 3.96Å; H204-Y208 WeakPolarHBondContact O-CD2 3.2Å; H204-Y208 PolarHBondContact O-N 3.03Å
205T71.2Confident68.5Low72 Ų7274.2 Ų74.244%0.44243%0.425SS..Hα-helixtrans-60.3-42.2179-49.70000111.6L202 Y207 Y208 T209L202-T205 WeakPolarHBondContact O-CA 3.44Å; L202-T205 WeakPolarHBondContact O-CB 3.19Å; L202-T205 PolarHBondContact O-N 3.38Å; T205-Y207 VanDerWaalsContact C-N 3.33Å; T205-Y207 PolarHBondContact O-N 3.43Å; T205-Y208 PolarHBondContact O-N 3.32Å; T205-T209 HydrophobicContact CG2-CG2 4.5Å; T205-T209 VanDerWaalsContact O-CG2 3.27Å; T205-T209 WeakPolarHBondContact O-CG2 3.42Å; T205-T209 PolarHBondContact O-N 3.35Å; T205-T209 PolarHBondContact O-OG1 3.42Å; T205-T209 VanDerWaalsContact O-OG1 3.06Å
206D75.1Confident70.3Confident50 Ų5071 Ų7127%0.26741%0.409SS..Hα-helixtrans-64-38.2176.8-69.1-13.5000112.4M193 L202 H204 T209 M210M193-D206 HydrophobicContact CE-CB 3.44Å; M193-D206 VanDerWaalsContact CE-CB 3.44Å; M193-D206 HydrophobicContact SD-CB 3.67Å; M193-D206 VanDerWaalsContact SD-OD1 3.39Å; L202-D206 PolarHBondContact O-N 3.19Å; L202-D206 VanDerWaalsContact O-N 3.13Å; H204-D206 VanDerWaalsContact C-N 3.32Å; H204-D206 PolarHBondContact O-N 3.04Å; D206-T209 WeakPolarHBondContact CA-OG1 3.41Å; D206-T209 PolarHBondContact O-OG1 2.68Å; D206-M210 WeakPolarHBondContact O-CG 3.46Å; D206-M210 PolarHBondContact O-N 2.97Å
207Y82.3Confident72.4Confident75 Ų7562.1 Ų62.129%0.29437%0.367SS..Hα-helixtrans-67.9-43.3175-174-90000112.2Q63 M66 P67 H204 T205 A211Q63-Y207 HydrophobicContact CG-CE1 3.99Å; Q63-Y207 HydrophobicContact CG-CE2 4.25Å; Q63-Y207 WeakPolarHBondContact CG-OH 3.2Å; Q63-Y207 WeakPolarHBondContact O-CE1 3.44Å; Q63-Y207 PolarHBondContact O-OH 3Å; M66-Y207 WeakPolarHBondContact CB-OH 3.43Å; P67-Y207 HydrophobicContact CG-CD1 3.49Å; P67-Y207 VanDerWaalsContact CG-CD1 3.49Å; P67-Y207 HydrophobicContact CG-CE1 3.44Å; P67-Y207 VanDerWaalsContact CG-CE1 3.44Å; P67-Y207 HydrophobicContact CG-CG 4.37Å; H204-Y207 WeakPolarHBondContact O-CB 3.34Å; H204-Y207 PolarHBondContact O-N 2.77Å; T205-Y207 VanDerWaalsContact C-N 3.33Å; T205-Y207 PolarHBondContact O-N 3.43Å; Y207-A211 PolarHBondContact O-N 2.9Å; Y207-A211 VanDerWaalsContact O-N 3.1Å
208Y85.4Confident74.4Confident98 Ų9860.1 Ų60.138%0.38435%0.35SS..Hα-helixtrans-69.3-34.7177.9-72.5-59.7000112.9L64 P67 H204 T205 A211 G212L64-Y208 HydrophobicContact CD2-CD1 3.86Å; L64-Y208 HydrophobicContact CD2-CE1 4.36Å; P67-Y208 HydrophobicContact CG-CE1 4.33Å; H204-Y208 HydrophobicContact CB-CD2 4.22Å; H204-Y208 HydrophobicContact CB-CE2 3.96Å; H204-Y208 WeakPolarHBondContact O-CD2 3.2Å; H204-Y208 PolarHBondContact O-N 3.03Å; T205-Y208 PolarHBondContact O-N 3.32Å; Y208-A211 PolarHBondContact O-N 3.27Å; Y208-G212 PolarHBondContact O-N 3.37Å
209T85.1Confident76.8Confident52 Ų5257.7 Ų57.732%0.31934%0.342SS..Hα-helixtrans-65.7-44.2175.4500000111.3M192 T205 D206 A211 G212 I213M192-T209 VanDerWaalsContact CE-OG1 3.32Å; M192-T209 WeakPolarHBondContact CE-OG1 3.33Å; T205-T209 HydrophobicContact CG2-CG2 4.5Å; T205-T209 VanDerWaalsContact O-CG2 3.27Å; T205-T209 WeakPolarHBondContact O-CG2 3.42Å; T205-T209 PolarHBondContact O-N 3.35Å; T205-T209 PolarHBondContact O-OG1 3.42Å; T205-T209 VanDerWaalsContact O-OG1 3.06Å; D206-T209 WeakPolarHBondContact CA-OG1 3.41Å; D206-T209 PolarHBondContact O-OG1 2.68Å; T209-A211 VanDerWaalsContact C-N 3.33Å; T209-A211 PolarHBondContact O-N 3.39Å; T209-G212 PolarHBondContact O-N 2.88Å; T209-I213 VanDerWaalsContact O-CG1 3.31Å; T209-I213 WeakPolarHBondContact O-CG1 3.32Å; T209-I213 PolarHBondContact O-N 2.8Å
210M85.3Confident78.6Confident38 Ų3853.7 Ų53.719%0.18732%0.318CS..Hα-helixtrans-58.4-44.8172.9-68-70.316300112.2A189 M192 M193 D206 I213 A214 M283A189-M210 HydrophobicContact CB-CE 3.34Å; A189-M210 HydrophobicContact CB-SD 4.2Å; M192-M210 HydrophobicContact CE-CE 3.73Å; M193-M210 HydrophobicContact CE-CE 3.4Å; M193-M210 VanDerWaalsContact CE-CE 3.4Å; D206-M210 WeakPolarHBondContact O-CG 3.46Å; D206-M210 PolarHBondContact O-N 2.97Å; M210-I213 PolarHBondContact O-N 3.1Å; M210-A214 PolarHBondContact O-N 3.29Å; M210-M283 HydrophobicContact CE-CE 3.63Å; M210-M283 HydrophobicContact CE-SD 3.8Å; M210-M283 HydrophobicContact SD-CE 4Å; M210-M283 HydrophobicContact SD-SD 3.3Å
211A87.9Confident80.7Confident0 Ų047.4 Ų47.40%028%0.28CS..Hα-helixtrans-66-41.2177.600000111.9Q63 L64 Y207 Y208 T209 I213 A214 V215Q63-A211 HydrophobicContact CG-CB 4.42Å; L64-A211 HydrophobicContact CD2-CB 3.38Å; L64-A211 HydrophobicContact CG-CB 3.84Å; Y207-A211 PolarHBondContact O-N 2.9Å; Y207-A211 VanDerWaalsContact O-N 3.1Å; Y208-A211 PolarHBondContact O-N 3.27Å; T209-A211 VanDerWaalsContact C-N 3.33Å; T209-A211 PolarHBondContact O-N 3.39Å; A211-I213 PolarHBondContact O-N 3.26Å; A211-A214 WeakPolarHBondContact O-CB 3.43Å; A211-A214 PolarHBondContact O-N 3.47Å; A211-V215 WeakPolarHBondContact O-CG2 3.28Å; A211-V215 PolarHBondContact O-N 3.47Å
212G89.6Confident82.7Confident37 Ų3746.2 Ų46.238%0.38127%0.266SS..Hα-helixtrans-61.4-41.6175.700000112.5Y208 T209 A214 V215 A216Y208-G212 PolarHBondContact O-N 3.37Å; T209-G212 PolarHBondContact O-N 2.88Å; G212-A214 VanDerWaalsContact C-N 3.33Å; G212-A214 PolarHBondContact O-N 3.16Å; G212-V215 PolarHBondContact O-N 3.49Å; G212-A216 WeakPolarHBondContact O-CB 3.32Å; G212-A216 PolarHBondContact O-N 3.13Å
213I90Very high84.4Confident15 Ų1546.3 Ų46.38%0.07727%0.271CS..Hα-helixtrans-62.9-42174.2-68.7167.1000110.3T209 M210 A211 V215 A216 T217 I280 M283 F284T209-I213 VanDerWaalsContact O-CG1 3.31Å; T209-I213 WeakPolarHBondContact O-CG1 3.32Å; T209-I213 PolarHBondContact O-N 2.8Å; M210-I213 PolarHBondContact O-N 3.1Å; A211-I213 PolarHBondContact O-N 3.26Å; I213-V215 PolarHBondContact O-N 3.1Å; I213-A216 PolarHBondContact O-N 3.16Å; I213-T217 PolarHBondContact O-N 3.37Å; I213-T217 PolarHBondContact O-OG1 2.6Å; I213-I280 HydrophobicContact CD1-CG2 4.29Å; I213-I280 HydrophobicContact CG1-CG2 4.49Å; I213-M283 HydrophobicContact CB-SD 4.4Å; I213-M283 HydrophobicContact CD1-CB 4.41Å; I213-M283 HydrophobicContact CD1-CE 4Å; I213-M283 HydrophobicContact CD1-CG 4.27Å; I213-M283 HydrophobicContact CD1-SD 3.31Å; I213-M283 WeakPolarHBondContact CD1-SD 3.32Å; I213-M283 HydrophobicContact CG1-SD 4.42Å; I213-M283 HydrophobicContact CG2-CB 4.34Å; I213-M283 HydrophobicContact CG2-CG 4.02Å; I213-M283 HydrophobicContact CG2-SD 4.17Å; I213-F284 HydrophobicContact CG2-CB 4.08Å
214A89.5Confident85.8Confident8 Ų842.9 Ų42.97%0.06625%0.249CC..Hα-helixtrans-62.5-40.6175.800000112.8V60 M210 A211 G212 T217 C218V60-A214 HydrophobicContact CG1-CB 4.21Å; V60-A214 HydrophobicContact CG2-CB 3.71Å; M210-A214 PolarHBondContact O-N 3.29Å; A211-A214 WeakPolarHBondContact O-CB 3.43Å; A211-A214 PolarHBondContact O-N 3.47Å; G212-A214 VanDerWaalsContact C-N 3.33Å; G212-A214 PolarHBondContact O-N 3.16Å; A214-T217 PolarHBondContact O-N 3.37Å; A214-C218 PolarHBondContact O-N 3.34Å; A214-C218 PolarHBondContact O-SG 3.21Å
215V91.8Very high86.6Confident41 Ų4139.1 Ų39.125%0.24823%0.232CC..Hα-helixtrans-61.4-49.5172.7176.30000110.5F57 V60 L64 A211 G212 I213 T217 C218 L219F57-V215 HydrophobicContact CE1-CG1 4.31Å; V60-V215 HydrophobicContact CB-CG2 4.4Å; V60-V215 HydrophobicContact CG1-CG2 3.36Å; L64-V215 HydrophobicContact CD1-CG2 4.26Å; A211-V215 WeakPolarHBondContact O-CG2 3.28Å; A211-V215 PolarHBondContact O-N 3.47Å; G212-V215 PolarHBondContact O-N 3.49Å; I213-V215 PolarHBondContact O-N 3.1Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 3.26Å; V215-C218 PolarHBondContact O-N 3.27Å; V215-C218 VanDerWaalsContact O-N 3.12Å; V215-L219 HydrophobicContact CG1-CD1 4Å; V215-L219 HydrophobicContact CG1-CG 4.45Å; V215-L219 PolarHBondContact O-N 3.48Å
216A92.1Very high87.1Confident44 Ų4437.9 Ų37.936%0.36423%0.233SC..Hα-helixtrans-57.7-43.8179.600000111G212 I213 L219 A220 F284G212-A216 WeakPolarHBondContact O-CB 3.32Å; G212-A216 PolarHBondContact O-N 3.13Å; I213-A216 PolarHBondContact O-N 3.16Å; A216-L219 PolarHBondContact O-N 3.15Å; A216-A220 WeakPolarHBondContact O-CB 3.39Å; A216-A220 PolarHBondContact O-N 2.75Å; A216-F284 HydrophobicContact CB-CD2 4.24Å; A216-F284 HydrophobicContact CB-CE2 4.41Å
217T91.8Very high87.5Confident0 Ų042.2 Ų42.20%026%0.256CS..Hα-helixtrans-58.6-48.5174.4-60.90000111.7I213 A214 V215 L219 A220 L221 F284 H287 A288I213-T217 PolarHBondContact O-N 3.37Å; I213-T217 PolarHBondContact O-OG1 2.6Å; A214-T217 PolarHBondContact O-N 3.37Å; V215-T217 VanDerWaalsContact C-N 3.29Å; V215-T217 PolarHBondContact O-N 3.26Å; T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 3.02Å; T217-A220 PolarHBondContact O-N 3.24Å; T217-L221 HydrophobicContact CG2-CD1 3.85Å; T217-L221 HydrophobicContact CG2-CG 4.08Å; T217-L221 WeakPolarHBondContact O-CB 3.22Å; T217-L221 WeakPolarHBondContact O-CG 3.24Å; T217-L221 PolarHBondContact O-N 3.24Å; T217-F284 VanDerWaalsContact CA-CE2 3.47Å; T217-F284 WeakPolarHBondContact OG1-CD2 3.49Å; T217-F284 PolarHBondContact OG1-O 3.31Å; T217-H287 WeakPolarHBondContact CB-ND1 3.35Å; T217-H287 HydrophobicContact CG2-CB 4.29Å; T217-H287 WeakPolarHBondContact CG2-ND1 3.48Å; T217-A288 VanDerWaalsContact CG2-CA 3.49Å; T217-A288 HydrophobicContact CG2-CB 3.7Å
218C89.2Confident87.4Confident2 Ų242.9 Ų42.91%0.01426%0.263CS..Hα-helixtrans-60.1-41.7-179.9-66.30000111.9M53 F57 A214 V215 C222M53-C218 HydrophobicContact CG-CB 4.41Å; M53-C218 HydrophobicContact SD-CB 3.63Å; M53-C218 VanDerWaalsContact SD-O 3.42Å; F57-C218 HydrophobicContact CD1-CB 4.1Å; F57-C218 HydrophobicContact CE1-CB 3.54Å; F57-C218 HydrophobicContact CE2-CB 4.06Å; F57-C218 HydrophobicContact CZ-CB 3.51Å; A214-C218 PolarHBondContact O-N 3.34Å; A214-C218 PolarHBondContact O-SG 3.21Å; V215-C218 PolarHBondContact O-N 3.27Å; V215-C218 VanDerWaalsContact O-N 3.12Å; C218-C222 PolarHBondContact O-SG 3.44Å; C218-C222 VanDerWaalsContact O-SG 3.33Å
219L91.2Very high87.3Confident105 Ų10538.3 Ų38.355%0.5525%0.246SC..Hα-helixtrans-65.1-44.3176.9-70.8171.1000112.1F57 V215 A216 T217 C222 P223F57-L219 HydrophobicContact CE1-CD2 4.11Å; F57-L219 HydrophobicContact CE1-CG 4.06Å; F57-L219 HydrophobicContact CZ-CD2 3.67Å; F57-L219 HydrophobicContact CZ-CG 3.91Å; V215-L219 HydrophobicContact CG1-CD1 4Å; V215-L219 HydrophobicContact CG1-CG 4.45Å; V215-L219 PolarHBondContact O-N 3.48Å; A216-L219 PolarHBondContact O-N 3.15Å; T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 3.02Å; L219-C222 PolarHBondContact O-N 3.47Å; L219-P223 WeakPolarHBondContact O-CD 3.45Å
220A89.3Confident87.3Confident29 Ų2937.9 Ų37.924%0.2424%0.238CC..Hα-helixtrans-73.7-28.7-17800000113.7A216 T217 C222 P223 A224 F284A216-A220 WeakPolarHBondContact O-CB 3.39Å; A216-A220 PolarHBondContact O-N 2.75Å; T217-A220 PolarHBondContact O-N 3.24Å; A220-C222 PolarHBondContact O-N 2.9Å; A220-P223 VanDerWaalsContact O-CD 3.28Å; A220-P223 WeakPolarHBondContact O-CD 3.47Å; A220-P223 WeakPolarHBondContact O-CG 3.39Å; A220-A224 VanDerWaalsContact O-CB 3.23Å; A220-A224 WeakPolarHBondContact O-CB 3.26Å; A220-A224 PolarHBondContact O-N 2.94Å; A220-F284 HydrophobicContact CB-CE2 3.58Å; A220-F284 HydrophobicContact CB-CZ 3.33Å
221L89.5Confident87.3Confident1 Ų138 Ų381%0.00524%0.237CC..Hα-helixtrans-63.2-31.1174.9-78.5177.7000112.3F49 M53 T217 A224 V225 F237 A288 T291 L292F49-L221 HydrophobicContact CZ-CB 4.32Å; M53-L221 HydrophobicContact CE-CB 3.49Å; M53-L221 VanDerWaalsContact CE-CB 3.49Å; M53-L221 HydrophobicContact CE-CD1 4.01Å; M53-L221 HydrophobicContact CE-CG 4.42Å; T217-L221 HydrophobicContact CG2-CD1 3.85Å; T217-L221 HydrophobicContact CG2-CG 4.08Å; T217-L221 WeakPolarHBondContact O-CB 3.22Å; T217-L221 WeakPolarHBondContact O-CG 3.24Å; T217-L221 PolarHBondContact O-N 3.24Å; L221-A224 PolarHBondContact O-N 3.38Å; L221-V225 WeakPolarHBondContact O-CG2 3.42Å; L221-V225 PolarHBondContact O-N 3.04Å; L221-F237 HydrophobicContact CD2-CD2 4.27Å; L221-F237 HydrophobicContact CD2-CE2 3.74Å; L221-F237 HydrophobicContact CD2-CZ 4.35Å; L221-A288 HydrophobicContact CD2-CB 3.86Å; L221-A288 HydrophobicContact CG-CB 4.33Å; L221-T291 HydrophobicContact CD1-CG2 3.91Å; L221-L292 HydrophobicContact CD2-CD1 3.48Å; L221-L292 VanDerWaalsContact CD2-CD1 3.48Å; L221-L292 HydrophobicContact CD2-CD2 3.85Å; L221-L292 HydrophobicContact CD2-CG 3.48Å; L221-L292 VanDerWaalsContact CD2-CG 3.48Å
222C86.5Confident87.2Confident55 Ų5539.1 Ų39.137%0.37225%0.247SC..Hα-helixtrans-58.3-59.4179.9-65.50000113.8C218 L219 A220 G226C218-C222 PolarHBondContact O-SG 3.44Å; C218-C222 VanDerWaalsContact O-SG 3.33Å; L219-C222 PolarHBondContact O-N 3.47Å; A220-C222 PolarHBondContact O-N 2.9Å; C222-G226 PolarHBondContact O-N 2.94Å
223P87Confident87.2Confident73 Ų7337.3 Ų37.347%0.47423%0.229SC..Hα-helixtrans-69.4-35176.227.8-34.5000112.1L219 A220 V225 G226 L227L219-P223 WeakPolarHBondContact O-CD 3.45Å; A220-P223 VanDerWaalsContact O-CD 3.28Å; A220-P223 WeakPolarHBondContact O-CD 3.47Å; A220-P223 WeakPolarHBondContact O-CG 3.39Å; P223-V225 PolarHBondContact O-N 3.05Å; P223-G226 PolarHBondContact O-N 3.05Å; P223-L227 WeakPolarHBondContact O-CB 3.44Å; P223-L227 WeakPolarHBondContact O-CG 3.29Å; P223-L227 PolarHBondContact O-N 3.35Å
224A85.3Confident87.2Confident12 Ų1236.7 Ų36.710%0.09923%0.226CC..Hα-helixtrans-60.6-44-177.800000112.4A220 L221 M228 F237A220-A224 VanDerWaalsContact O-CB 3.23Å; A220-A224 WeakPolarHBondContact O-CB 3.26Å; A220-A224 PolarHBondContact O-N 2.94Å; L221-A224 PolarHBondContact O-N 3.38Å; A224-M228 WeakPolarHBondContact O-CB 3.42Å; A224-M228 PolarHBondContact O-N 3.5Å; A224-F237 HydrophobicContact CB-CE2 3.65Å; A224-F237 HydrophobicContact CB-CZ 3.65Å
225V83.9Confident87.4Confident14 Ų1438 Ų389%0.08523%0.232CC..Hα-helixtrans-71.2-34.1177.6174.20000111.9F49 L221 P223 G229 R230 L292F49-V225 HydrophobicContact CD2-CG1 4.11Å; F49-V225 HydrophobicContact CD2-CG2 4.43Å; F49-V225 HydrophobicContact CE1-CB 4.19Å; F49-V225 HydrophobicContact CE1-CG1 4.48Å; F49-V225 HydrophobicContact CE1-CG2 4.5Å; F49-V225 HydrophobicContact CE2-CB 4Å; F49-V225 HydrophobicContact CE2-CG1 4.05Å; F49-V225 HydrophobicContact CE2-CG2 3.6Å; F49-V225 HydrophobicContact CG-CG1 4.33Å; F49-V225 HydrophobicContact CZ-CB 3.79Å; F49-V225 HydrophobicContact CZ-CG1 4.23Å; F49-V225 HydrophobicContact CZ-CG2 3.62Å; L221-V225 WeakPolarHBondContact O-CG2 3.42Å; L221-V225 PolarHBondContact O-N 3.04Å; P223-V225 PolarHBondContact O-N 3.05Å; V225-G229 WeakPolarHBondContact O-CA 3.46Å; V225-G229 PolarHBondContact O-N 2.96Å; V225-R230 HydrophobicContact CG1-CG 3.92Å; V225-L292 HydrophobicContact CG2-CD2 3.51Å
226G80.6Confident87.4Confident46 Ų4638.1 Ų38.147%0.47423%0.232SC..Hα-helixtrans-65.3-45.2176.300000113C222 P223 R360C222-G226 PolarHBondContact O-N 2.94Å; P223-G226 PolarHBondContact O-N 3.05Å; G226-R360 PolarHBondContact O-NH2 3.14Å
227L83.1Confident87.6Confident141 Ų14136.8 Ų36.874%0.73822%0.219SC*.Hα-helixtrans-80.2-55-176.9-64.4172.2000112P223P223-L227 WeakPolarHBondContact O-CB 3.44Å; P223-L227 WeakPolarHBondContact O-CG 3.29Å; P223-L227 PolarHBondContact O-N 3.35Å
228M80.9Confident87.7Confident90 Ų9036.9 Ų36.944%0.44322%0.219SC..Hα-helixtrans-93.9-2.5-166.7-52.1-177.772.400113.4A224 G232 T236A224-M228 WeakPolarHBondContact O-CB 3.42Å; A224-M228 PolarHBondContact O-N 3.5Å; M228-G232 WeakPolarHBondContact O-CA 3.38Å; M228-T236 HydrophobicContact CE-CG2 3.88Å; M228-T236 WeakPolarHBondContact CE-OG1 3.44Å; M228-T236 HydrophobicContact SD-CG2 4.35Å
229G83.3Confident88Confident2 Ų239.9 Ų39.92%0.02123%0.234CC..Hα-helixtrans68.9-173.5-168.800000112V225 G233V225-G229 WeakPolarHBondContact O-CA 3.46Å; V225-G229 PolarHBondContact O-N 2.96Å; G229-G233 PolarHBondContact O-N 3.48Å
230R84.8Confident88.2Confident43 Ų4337.7 Ų37.716%0.16222%0.222CC..Hα-helixtrans-87.1-42.9-170-66162.5-178.4169.9-5.4111.3V225 L234 F296 E299 E358 P359V225-R230 HydrophobicContact CG1-CG 3.92Å; R230-L234 WeakPolarHBondContact O-CB 3.18Å; R230-L234 PolarHBondContact O-N 3.13Å; R230-L234 VanDerWaalsContact O-N 3.09Å; R230-F296 HydrophobicContact CB-CD2 4Å; R230-F296 HydrophobicContact CB-CE2 4.28Å; R230-E299 WeakPolarHBondContact CD-OE2 3.32Å; R230-E299 IonicContact CZ-OE1 3.6Å; R230-E299 IonicContact CZ-OE2 3.16Å; R230-E299 IonicContact NE-OE1 2.6Å; R230-E299 IonicContact NE-OE2 3.29Å; R230-E299 PolarHBondContact NE-OE2 3.04Å; R230-E299 VanDerWaalsContact NE-OE2 3.16Å; R230-E299 IonicContact NH1-OE1 2.88Å; R230-E299 PolarHBondContact NH1-OE1 3.05Å; R230-E299 IonicContact NH1-OE2 3.68Å; R230-E299 PolarHBondContact NH1-OE2 3.49Å; R230-E299 IonicContact NH2-OE1 3.66Å; R230-E299 PolarHBondContact NH2-OE1 3.47Å; R230-E299 IonicContact NH2-OE2 2.79Å; R230-E358 PolarHBondContact N-OE1 2.93Å; R230-P359 HydrophobicContact CB-CG 4.13Å; R230-P359 PolarHBondContact NH1-O 2.9Å
231R86.3Confident88.5Confident41 Ų4136.5 Ų36.516%0.15521%0.212CC..Hα-helixtrans-69.6-43.7175-173.1-169.3154.5155.9-2.2110.9L234 L235 F296 L354 L356 E358R231-L234 PolarHBondContact O-N 3.31Å; R231-L235 WeakPolarHBondContact O-CB 3.47Å; R231-L235 PolarHBondContact O-N 2.92Å; R231-F296 HydrophobicContact CB-CE2 4.31Å; R231-L354 PolarHBondContact NH2-O 2.94Å; R231-L356 WeakPolarHBondContact CD-O 3.22Å; R231-L356 VanDerWaalsContact CZ-O 3.31Å; R231-L356 PolarHBondContact NH1-O 3.32Å; R231-E358 WeakPolarHBondContact CB-OE2 3.37Å; R231-E358 PolarHBondContact N-OE1 2.7Å
232G85.3Confident88.8Confident22 Ų2236.6 Ų36.623%0.22721%0.213CC..Hα-helixtrans-59.6-48.7178.500000111.4M228 L234 L235 T236M228-G232 WeakPolarHBondContact O-CA 3.38Å; G232-L234 PolarHBondContact O-N 3.37Å; G232-L235 PolarHBondContact O-N 2.76Å; G232-T236 WeakPolarHBondContact O-CB 3.44Å; G232-T236 PolarHBondContact O-N 3.27Å; G232-T236 PolarHBondContact O-OG1 2.81Å
233G89.4Confident89.2Confident0 Ų038.7 Ų38.70%022%0.22CC..Hα-helixtrans-57.5-48.3173.800000112.8G229 L235 T236 F237G229-G233 PolarHBondContact O-N 3.48Å; G233-L235 VanDerWaalsContact C-N 3.34Å; G233-L235 PolarHBondContact O-N 3.16Å; G233-T236 PolarHBondContact O-N 2.66Å; G233-F237 WeakPolarHBondContact O-CD2 3.37Å; G233-F237 PolarHBondContact O-N 3.34Å
234L91.3Very high89.5Confident2 Ų235.4 Ų35.41%0.0120%0.199CC..Hα-helixtrans-59.4-43.9179.4-173.462000112.2L174 R230 R231 G232 M238 V289 L292 L353L174-L234 HydrophobicContact CD2-CD2 4.44Å; R230-L234 WeakPolarHBondContact O-CB 3.18Å; R230-L234 PolarHBondContact O-N 3.13Å; R230-L234 VanDerWaalsContact O-N 3.09Å; R231-L234 PolarHBondContact O-N 3.31Å; G232-L234 PolarHBondContact O-N 3.37Å; L234-M238 VanDerWaalsContact O-CB 3.25Å; L234-M238 WeakPolarHBondContact O-CB 3.5Å; L234-M238 PolarHBondContact O-N 3.37Å; L234-V289 HydrophobicContact CD1-CG1 4.14Å; L234-V289 WeakPolarHBondContact CD1-O 3.34Å; L234-L292 HydrophobicContact CD1-CB 3.86Å; L234-L353 HydrophobicContact CD2-CD1 4.31Å; L234-L353 HydrophobicContact CD2-CD2 3.47Å; L234-L353 VanDerWaalsContact CD2-CD2 3.47Å; L234-L353 HydrophobicContact CG-CD1 3.88Å; L234-L353 HydrophobicContact CG-CD2 4Å
235L92.6Very high89.9Confident36 Ų3634.8 Ų34.819%0.18819%0.194CC..Hα-helixtrans-67.8-43.4178.8-175.9139.4000111.9R231 G232 G233 M238 I239 L354R231-L235 WeakPolarHBondContact O-CB 3.47Å; R231-L235 PolarHBondContact O-N 2.92Å; G232-L235 PolarHBondContact O-N 2.76Å; G233-L235 VanDerWaalsContact C-N 3.34Å; G233-L235 PolarHBondContact O-N 3.16Å; L235-M238 PolarHBondContact O-N 2.98Å; L235-I239 HydrophobicContact CD2-CD1 3.48Å; L235-I239 VanDerWaalsContact CD2-CD1 3.48Å; L235-I239 HydrophobicContact CD2-CG1 4.46Å; L235-I239 HydrophobicContact CG-CD1 4.18Å; L235-I239 WeakPolarHBondContact O-CG1 3.36Å; L235-I239 PolarHBondContact O-N 3.22Å; L235-L354 HydrophobicContact CD1-CD2 3.46Å; L235-L354 VanDerWaalsContact CD1-CD2 3.46Å; L235-L354 HydrophobicContact CD1-CG 4.2Å
236T92.8Very high90.3Very high42 Ų4238 Ų3826%0.25821%0.21SC..Hα-helixtrans-64.3-48.7178.8-62.20000112.1M228 G232 G233 M238 I239 I240M228-T236 HydrophobicContact CE-CG2 3.88Å; M228-T236 WeakPolarHBondContact CE-OG1 3.44Å; M228-T236 HydrophobicContact SD-CG2 4.35Å; G232-T236 WeakPolarHBondContact O-CB 3.44Å; G232-T236 PolarHBondContact O-N 3.27Å; G232-T236 PolarHBondContact O-OG1 2.81Å; G233-T236 PolarHBondContact O-N 2.66Å; T236-M238 PolarHBondContact O-N 2.8Å; T236-I239 PolarHBondContact O-N 3.37Å; T236-I240 HydrophobicContact CG2-CD1 4.02Å; T236-I240 VanDerWaalsContact O-CG1 3.31Å; T236-I240 WeakPolarHBondContact O-CG1 3.47Å; T236-I240 PolarHBondContact O-N 3.13Å
237F94.8Very high90.8Very high17 Ų1739.9 Ų39.98%0.07521%0.209CC..Hα-helixtrans-64.1-33177.2-70-60.2000112L221 A224 G233 I240 T241 F284 A288 V289 L292L221-F237 HydrophobicContact CD2-CD2 4.27Å; L221-F237 HydrophobicContact CD2-CE2 3.74Å; L221-F237 HydrophobicContact CD2-CZ 4.35Å; A224-F237 HydrophobicContact CB-CE2 3.65Å; A224-F237 HydrophobicContact CB-CZ 3.65Å; G233-F237 WeakPolarHBondContact O-CD2 3.37Å; G233-F237 PolarHBondContact O-N 3.34Å; F237-I240 HydrophobicContact CD1-CD1 4.4Å; F237-I240 PolarHBondContact O-N 3.09Å; F237-T241 WeakPolarHBondContact O-CB 3.49Å; F237-T241 PolarHBondContact O-N 3.13Å; F237-T241 PolarHBondContact O-OG1 3.37Å; F237-F284 HydrophobicContact CD1-CE1 4.37Å; F237-F284 AromaticContact CE1-CE1 3.88Å; F237-F284 HydrophobicContact CE1-CE1 3.88Å; F237-F284 HydrophobicContact CE1-CZ 4.23Å; F237-A288 HydrophobicContact CB-CB 4.23Å; F237-A288 HydrophobicContact CD1-CB 3.96Å; F237-A288 HydrophobicContact CD2-CB 3.93Å; F237-A288 HydrophobicContact CE1-CB 4.29Å; F237-A288 HydrophobicContact CE2-CB 4.28Å; F237-A288 HydrophobicContact CG-CB 3.78Å; F237-A288 HydrophobicContact CZ-CB 4.44Å; F237-V289 HydrophobicContact CB-CG2 3.7Å; F237-L292 HydrophobicContact CD2-CD1 3.71Å; F237-L292 HydrophobicContact CE2-CD1 4.06Å
238M94.6Very high91.1Very high2 Ų233.1 Ų33.11%0.0117%0.174CC..Hα-helixtrans-68.9-40.7175.5-178.6157.6-84.300112.9N177 L234 L235 T236 I240 T241 A242 V289 C349 I350 L353N177-M238 WeakPolarHBondContact OD1-CE 3.25Å; L234-M238 VanDerWaalsContact O-CB 3.25Å; L234-M238 WeakPolarHBondContact O-CB 3.5Å; L234-M238 PolarHBondContact O-N 3.37Å; L235-M238 PolarHBondContact O-N 2.98Å; T236-M238 PolarHBondContact O-N 2.8Å; M238-I240 VanDerWaalsContact C-N 3.33Å; M238-T241 WeakPolarHBondContact O-CB 3.34Å; M238-T241 PolarHBondContact O-N 2.76Å; M238-A242 PolarHBondContact O-N 3.22Å; M238-V289 HydrophobicContact CB-CG2 4Å; M238-V289 HydrophobicContact CE-CG1 3.6Å; M238-C349 HydrophobicContact CE-CB 3.57Å; M238-C349 VanDerWaalsContact SD-C 3.58Å; M238-C349 HydrophobicContact SD-CB 3.21Å; M238-C349 WeakPolarHBondContact SD-CB 3.38Å; M238-I350 HydrophobicContact CB-CG1 4.45Å; M238-I350 HydrophobicContact CG-CD1 4.39Å; M238-I350 HydrophobicContact CG-CG1 3.56Å; M238-I350 HydrophobicContact SD-CG1 4.04Å; M238-L353 HydrophobicContact CB-CD1 4.04Å; M238-L353 HydrophobicContact CE-CD1 4.35Å; M238-L353 HydrophobicContact CG-CD1 4.29Å; M238-L353 HydrophobicContact SD-CD1 3.39Å; M238-L353 WeakPolarHBondContact SD-CD1 3.4Å; M238-L353 HydrophobicContact SD-CG 4.18Å
239I95.4Very high91.4Very high64 Ų6430.3 Ų30.333%0.32816%0.16SC..Hα-helixtrans-61.1-44.6173.2-69.6168.2000110.4L235 T236 T241 A242 L243 I350L235-I239 HydrophobicContact CD2-CD1 3.48Å; L235-I239 VanDerWaalsContact CD2-CD1 3.48Å; L235-I239 HydrophobicContact CD2-CG1 4.46Å; L235-I239 HydrophobicContact CG-CD1 4.18Å; L235-I239 WeakPolarHBondContact O-CG1 3.36Å; L235-I239 PolarHBondContact O-N 3.22Å; T236-I239 PolarHBondContact O-N 3.37Å; I239-T241 VanDerWaalsContact C-N 3.3Å; I239-T241 PolarHBondContact O-N 2.98Å; I239-A242 PolarHBondContact O-N 3.43Å; I239-L243 HydrophobicContact CG2-CD1 3.92Å; I239-L243 HydrophobicContact CG2-CG 4.33Å; I239-L243 WeakPolarHBondContact O-CG 3.3Å; I239-L243 PolarHBondContact O-N 3.17Å; I239-I350 HydrophobicContact CG1-CD1 4.04Å; I239-I350 HydrophobicContact CG1-CG1 4.38Å; I239-I350 HydrophobicContact CG1-CG2 4.44Å
240I95.6Very high91.4Very high60 Ų6031.9 Ų31.931%0.30818%0.176SC..Hα-helixtrans-59.5-43.6176.1-65.9166.2000110.5T236 F237 M238 A242 L243 A244 I281T236-I240 HydrophobicContact CG2-CD1 4.02Å; T236-I240 VanDerWaalsContact O-CG1 3.31Å; T236-I240 WeakPolarHBondContact O-CG1 3.47Å; T236-I240 PolarHBondContact O-N 3.13Å; F237-I240 HydrophobicContact CD1-CD1 4.4Å; F237-I240 PolarHBondContact O-N 3.09Å; M238-I240 VanDerWaalsContact C-N 3.33Å; I240-A242 PolarHBondContact O-N 3.49Å; I240-L243 PolarHBondContact O-N 3.42Å; I240-A244 WeakPolarHBondContact O-CB 3.02Å; I240-A244 PolarHBondContact O-N 3.15Å; I240-I281 HydrophobicContact CG2-CG2 3.81Å
241T95.3Very high91.3Very high3 Ų330.9 Ų30.92%0.01817%0.174CC..Hα-helixtrans-60.8-46177.3-540000111.2I184 F188 F237 M238 I239 A244 S245 S285 S286 T346I184-T241 HydrophobicContact CD1-CG2 4.44Å; I184-T241 HydrophobicContact CG2-CG2 3.77Å; F188-T241 HydrophobicContact CE2-CG2 4.05Å; F237-T241 WeakPolarHBondContact O-CB 3.49Å; F237-T241 PolarHBondContact O-N 3.13Å; F237-T241 PolarHBondContact O-OG1 3.37Å; M238-T241 WeakPolarHBondContact O-CB 3.34Å; M238-T241 PolarHBondContact O-N 2.76Å; I239-T241 VanDerWaalsContact C-N 3.3Å; I239-T241 PolarHBondContact O-N 2.98Å; T241-A244 PolarHBondContact O-N 3.03Å; T241-S245 WeakPolarHBondContact O-CB 3.23Å; T241-S245 PolarHBondContact O-N 2.96Å; T241-S285 WeakPolarHBondContact OG1-CB 3.33Å; T241-S285 PolarHBondContact OG1-OG 3.5Å; T241-S286 PolarHBondContact OG1-N 3.03Å; T241-T346 HydrophobicContact CG2-CG2 4.36Å
242A95.4Very high90.8Very high4 Ų431.2 Ų31.23%0.03318%0.179CC..Hα-helixtrans-64.2-46179.600000111.7M238 I239 I240 A244 S245 L246 L347 I350M238-A242 PolarHBondContact O-N 3.22Å; I239-A242 PolarHBondContact O-N 3.43Å; I240-A242 PolarHBondContact O-N 3.49Å; A242-A244 PolarHBondContact O-N 3.48Å; A242-S245 PolarHBondContact O-N 3.44Å; A242-S245 PolarHBondContact O-OG 3.49Å; A242-L246 WeakPolarHBondContact O-CG 3.27Å; A242-L246 PolarHBondContact O-N 3.38Å; A242-L347 HydrophobicContact CB-CD2 4.11Å; A242-I350 HydrophobicContact CB-CD1 3.77Å
243L95.3Very high90.3Very high98 Ų9833.5 Ų33.551%0.51319%0.186SC..Hα-helixtrans-60.9-45.2176.1-70.4172.9000111.7I239 I240 S245 L246 L247I239-L243 HydrophobicContact CG2-CD1 3.92Å; I239-L243 HydrophobicContact CG2-CG 4.33Å; I239-L243 WeakPolarHBondContact O-CG 3.3Å; I239-L243 PolarHBondContact O-N 3.17Å; I240-L243 PolarHBondContact O-N 3.42Å; L243-S245 VanDerWaalsContact C-N 3.3Å; L243-S245 PolarHBondContact O-N 3.24Å; L243-L246 PolarHBondContact O-N 2.96Å; L243-L247 WeakPolarHBondContact O-CB 3.39Å; L243-L247 VanDerWaalsContact O-CG 3.26Å; L243-L247 WeakPolarHBondContact O-CG 3.21Å; L243-L247 PolarHBondContact O-N 3.26Å
244A94.4Very high89.4Confident4 Ų437.6 Ų37.63%0.03321%0.207CC..Hα-helixtrans-59.8-41.2175.800000111.6F188 I240 T241 A242 Q248F188-A244 HydrophobicContact CE1-CB 4.38Å; F188-A244 HydrophobicContact CZ-CB 4.15Å; I240-A244 WeakPolarHBondContact O-CB 3.02Å; I240-A244 PolarHBondContact O-N 3.15Å; T241-A244 PolarHBondContact O-N 3.03Å; A242-A244 PolarHBondContact O-N 3.48Å; A244-Q248 VanDerWaalsContact O-CB 3.24Å; A244-Q248 WeakPolarHBondContact O-CB 3.32Å; A244-Q248 PolarHBondContact O-N 3.32Å
245S93.2Very high88.2Confident0 Ų040.7 Ų40.70%022%0.223CC..Hα-helixtrans-66.6-41.4177.574.60000113T241 A242 L243 Q248 L249T241-S245 WeakPolarHBondContact O-CB 3.23Å; T241-S245 PolarHBondContact O-N 2.96Å; A242-S245 PolarHBondContact O-N 3.44Å; A242-S245 PolarHBondContact O-OG 3.49Å; L243-S245 VanDerWaalsContact C-N 3.3Å; L243-S245 PolarHBondContact O-N 3.24Å; S245-Q248 PolarHBondContact O-N 2.97Å; S245-L249 VanDerWaalsContact O-CB 3.31Å; S245-L249 WeakPolarHBondContact O-CB 3.39Å; S245-L249 PolarHBondContact O-N 3.37Å
246L92.3Very high86.8Confident80 Ų8042 Ų4242%0.41925%0.245SC..Hα-helixtrans-67.9-41.7178.9-71.4173.9000111.6A242 L243 L249 G250 L347A242-L246 WeakPolarHBondContact O-CG 3.27Å; A242-L246 PolarHBondContact O-N 3.38Å; L243-L246 PolarHBondContact O-N 2.96Å; L246-L249 PolarHBondContact O-N 3.3Å; L246-G250 PolarHBondContact O-N 3.25Å; L246-L347 HydrophobicContact CD1-CD2 4.45Å
247L91.1Very high85.3Confident86 Ų8647.1 Ų47.145%0.4526%0.264SS..Hα-helixtrans-63.5-43.9175.5-71.4169.8000111.2L243 G250 L251 F278L243-L247 WeakPolarHBondContact O-CB 3.39Å; L243-L247 VanDerWaalsContact O-CG 3.26Å; L243-L247 WeakPolarHBondContact O-CG 3.21Å; L243-L247 PolarHBondContact O-N 3.26Å; L247-G250 PolarHBondContact O-N 3.26Å; L247-L251 WeakPolarHBondContact O-CG 2.78Å; L247-L251 PolarHBondContact O-N 2.88Å; L247-F278 HydrophobicContact CB-CD2 4.19Å; L247-F278 HydrophobicContact CB-CE2 4.26Å; L247-F278 HydrophobicContact CB-CG 4.33Å; L247-F278 HydrophobicContact CB-CZ 4.47Å; L247-F278 HydrophobicContact CD1-CD1 4.09Å; L247-F278 HydrophobicContact CD1-CE1 3.73Å; L247-F278 HydrophobicContact CD1-CZ 4.03Å
248Q88.3Confident83.4Confident0 Ų052.5 Ų52.50%029%0.285CS..Hα-helixtrans-60.6-45.9175.4-171.583.4-35.600111.9F188 S191 A244 S245 L251 L252 S275 S279F188-Q248 HydrophobicContact CE1-CB 4.45Å; S191-Q248 PolarHBondContact OG-NE2 3.46Å; A244-Q248 VanDerWaalsContact O-CB 3.24Å; A244-Q248 WeakPolarHBondContact O-CB 3.32Å; A244-Q248 PolarHBondContact O-N 3.32Å; S245-Q248 PolarHBondContact O-N 2.97Å; Q248-L251 PolarHBondContact O-N 2.78Å; Q248-L252 HydrophobicContact CG-CD1 4.27Å; Q248-L252 WeakPolarHBondContact O-CG 3.49Å; Q248-L252 PolarHBondContact O-N 3.05Å; Q248-S275 PolarHBondContact NE2-OG 2.9Å; Q248-S275 PolarHBondContact OE1-O 3.3Å; Q248-S275 PolarHBondContact OE1-OG 3.22Å; Q248-S279 PolarHBondContact NE2-OG 3.26Å
249L87.5Confident81.4Confident31 Ų3157 Ų5716%0.16232%0.316CS..Hα-helixtrans-66.3-38179.4-169.669.6000112.1S245 L246 L252 N253 F336 V340S245-L249 VanDerWaalsContact O-CB 3.31Å; S245-L249 WeakPolarHBondContact O-CB 3.39Å; S245-L249 PolarHBondContact O-N 3.37Å; L246-L249 PolarHBondContact O-N 3.3Å; L249-L252 PolarHBondContact O-N 2.93Å; L249-N253 PolarHBondContact O-N 3.41Å; L249-F336 HydrophobicContact CD1-CD2 3.79Å; L249-F336 HydrophobicContact CD1-CE2 3.39Å; L249-F336 HydrophobicContact CD1-CZ 4.04Å; L249-F336 HydrophobicContact CG-CE2 4.23Å; L249-V340 HydrophobicContact CD1-CG2 3.69Å; L249-V340 HydrophobicContact CD2-CG2 3.83Å; L249-V340 HydrophobicContact CG-CG2 4.39Å
250G84.7Confident79.4Confident34 Ų3461.7 Ų61.735%0.35134%0.341SS..Hα-helixtrans-60.6-45.7173.100000112L246 L247 N253 L254L246-G250 PolarHBondContact O-N 3.25Å; L247-G250 PolarHBondContact O-N 3.26Å; G250-N253 PolarHBondContact O-N 3.05Å; G250-L254 WeakPolarHBondContact O-CD1 3.48Å; G250-L254 WeakPolarHBondContact O-CG 3.29Å; G250-L254 PolarHBondContact O-N 2.97Å
251L81.4Confident77.3Confident23 Ų2368.4 Ų68.412%0.1236%0.362CS..Hα-helixtrans-62.5-42.6175.4-73.5168.7000112.3L247 Q248 N253 L254 I255 F274 F278L247-L251 WeakPolarHBondContact O-CG 2.78Å; L247-L251 PolarHBondContact O-N 2.88Å; Q248-L251 PolarHBondContact O-N 2.78Å; L251-N253 VanDerWaalsContact C-N 3.34Å; L251-N253 PolarHBondContact O-N 3.03Å; L251-L254 WeakPolarHBondContact O-CB 3.49Å; L251-L254 PolarHBondContact O-N 2.89Å; L251-I255 WeakPolarHBondContact O-CD1 3.29Å; L251-I255 WeakPolarHBondContact O-CG1 3.38Å; L251-I255 PolarHBondContact O-N 3.43Å; L251-F274 HydrophobicContact CD1-CB 4.31Å; L251-F278 HydrophobicContact CD1-CD2 3.55Å; L251-F278 HydrophobicContact CD1-CE2 3.74Å
252L75.2Confident75.2Confident48 Ų4876.5 Ų76.525%0.25140%0.399SS..Hα-helixtrans-61.9-39.4176.5-74.5163.4000112.3Q248 L249 I255 G256 Y335Q248-L252 HydrophobicContact CG-CD1 4.27Å; Q248-L252 WeakPolarHBondContact O-CG 3.49Å; Q248-L252 PolarHBondContact O-N 3.05Å; L249-L252 PolarHBondContact O-N 2.93Å; L252-I255 PolarHBondContact O-N 2.94Å; L252-G256 PolarHBondContact O-N 3.43Å; L252-Y335 HydrophobicContact CD1-CE1 3.83Å; L252-Y335 HydrophobicContact CD2-CE1 4.46Å
253N76.5Confident73.3Confident70 Ų7083.1 Ų83.137%0.37443%0.434SS..Hα-helixtrans-67-39.8175.9-161.8-54.7000111.8L249 G250 L251 K257L249-N253 PolarHBondContact O-N 3.41Å; G250-N253 PolarHBondContact O-N 3.05Å; L251-N253 VanDerWaalsContact C-N 3.34Å; L251-N253 PolarHBondContact O-N 3.03Å; N253-K257 PolarHBondContact O-N 2.92Å; N253-K257 VanDerWaalsContact O-N 3.16Å; N253-K257 VanDerWaalsContact OD1-CE 3.31Å; N253-K257 WeakPolarHBondContact OD1-CE 3.45Å
254L69.3Low71.7Confident86 Ų8680.8 Ų80.845%0.4542%0.424SS..Hα-helixtrans-63.3-47.1175-75.7156.9000111.2G250 L251 G256 K257 Y258G250-L254 WeakPolarHBondContact O-CD1 3.48Å; G250-L254 WeakPolarHBondContact O-CG 3.29Å; G250-L254 PolarHBondContact O-N 2.97Å; L251-L254 WeakPolarHBondContact O-CB 3.49Å; L251-L254 PolarHBondContact O-N 2.89Å; L254-G256 PolarHBondContact O-N 3.38Å; L254-K257 PolarHBondContact O-N 3.41Å; L254-Y258 HydrophobicContact CD2-CD2 4.14Å; L254-Y258 HydrophobicContact CD2-CE2 3.83Å; L254-Y258 WeakPolarHBondContact O-CB 3.5Å; L254-Y258 VanDerWaalsContact O-CD2 3.29Å; L254-Y258 WeakPolarHBondContact O-CD2 3.44Å; L254-Y258 PolarHBondContact O-N 3.2Å
255I66Low70.3Confident66 Ų6685.9 Ų85.934%0.33846%0.455SS..Hα-helixtrans-61.1-45.6178.2-67.3158.7000110.6L251 L252 K257 S259L251-I255 WeakPolarHBondContact O-CD1 3.29Å; L251-I255 WeakPolarHBondContact O-CG1 3.38Å; L251-I255 PolarHBondContact O-N 3.43Å; L252-I255 PolarHBondContact O-N 2.94Å; I255-K257 VanDerWaalsContact C-N 3.34Å; I255-K257 PolarHBondContact O-N 3.06Å; I255-S259 WeakPolarHBondContact O-CB 3.35Å; I255-S259 PolarHBondContact O-N 3.23Å
256G64Low68.9Low63 Ų6392.1 Ų92.165%0.64949%0.488SS*.Hα-helixtrans-63.4-32.3179.900000114.8L252 L254L252-G256 PolarHBondContact O-N 3.43Å; L254-G256 PolarHBondContact O-N 3.38Å
257K62.1Low67.7Low151 Ų15193 Ų9366%0.65749%0.485SS*.Hα-helixtrans-87.6-33.6179.5-75-178.2178.6174.20114N253 L254 I255N253-K257 PolarHBondContact O-N 2.92Å; N253-K257 VanDerWaalsContact O-N 3.16Å; N253-K257 VanDerWaalsContact OD1-CE 3.31Å; N253-K257 WeakPolarHBondContact OD1-CE 3.45Å; L254-K257 PolarHBondContact O-N 3.41Å; I255-K257 VanDerWaalsContact C-N 3.34Å; I255-K257 PolarHBondContact O-N 3.06Å
258Y53Low66.7Low130 Ų13092.6 Ų92.651%0.5148%0.483SS..Hα-helixtrans-96.1-6.7-172.7-75-85.1000114.5L254 L260 R261L254-Y258 HydrophobicContact CD2-CD2 4.14Å; L254-Y258 HydrophobicContact CD2-CE2 3.83Å; L254-Y258 WeakPolarHBondContact O-CB 3.5Å; L254-Y258 VanDerWaalsContact O-CD2 3.29Å; L254-Y258 WeakPolarHBondContact O-CD2 3.44Å; L254-Y258 PolarHBondContact O-N 3.2Å; Y258-L260 PolarHBondContact O-N 3.32Å; Y258-R261 PolarHBondContact O-N 3.23Å
259S53.7Low65.9Low95 Ų9595 Ų9566%0.66450%0.498SS*.THydrogen-bonded Turntrans-57.6-11.3172.7-171.90000114I255I255-S259 WeakPolarHBondContact O-CB 3.35Å; I255-S259 PolarHBondContact O-N 3.23Å
260L53.9Low65.3Low163 Ų16397.3 Ų97.385%0.85351%0.511SS*.THydrogen-bonded Turntrans-94.5-4.9-178.4-140.891.9000114.9Y258Y258-L260 PolarHBondContact O-N 3.32Å
261R49.8Very low65Low201 Ų20197.4 Ų97.476%0.75850%0.503SS*.SBendtrans-124.9107.8-174.8-155.683.2-172.5178.94.3111.4Y258 D263Y258-R261 PolarHBondContact O-N 3.23Å; R261-D263 PolarHBondContact O-N 3.04Å
262H52Low64.8Low173 Ų173102.5 Ų102.580%0.80152%0.52SS*.SBendtrans-43.8111.6178.6-95.1-90.7000114.2
263D55.4Low65.2Low143 Ų143107.3 Ų107.377%0.76554%0.54SS*.  trans172.763.1148.6-91.1-16.1000106.9R261R261-D263 PolarHBondContact O-N 3.04Å
264T60.9Low65.6Low49 Ų49109.1 Ų109.130%0.30154%0.544SS..  trans-95.1-41-144.141.60000114.4L266 R267 D268T264-L266 PolarHBondContact O-N 3.44Å; T264-R267 PolarHBondContact O-N 3.42Å; T264-D268 WeakPolarHBondContact O-CB 3.47Å; T264-D268 PolarHBondContact O-N 3.29Å
265V65.8Low66.4Low112 Ų112105.8 Ų105.868%0.67953%0.528SS*.Hα-helixtrans-68.2-43.6-163.4-174.20000114.7T269V265-T269 VanDerWaalsContact O-CG2 3.29Å; V265-T269 WeakPolarHBondContact O-CG2 3.46Å; V265-T269 PolarHBondContact O-N 3Å; V265-T269 VanDerWaalsContact O-N 3.13Å; V265-T269 PolarHBondContact O-OG1 3.19Å
266L63.6Low67.4Low131 Ų131104.9 Ų104.969%0.68653%0.525SS*.Hα-helixtrans-74.7-36.9-178.2-171.267.4000112.1T264 T269 L270T264-L266 PolarHBondContact O-N 3.44Å; L266-T269 WeakPolarHBondContact CA-OG1 3.13Å; L266-T269 PolarHBondContact O-OG1 3.39Å; L266-L270 HydrophobicContact CG-CD1 4.39Å; L266-L270 WeakPolarHBondContact O-CB 3.49Å; L266-L270 WeakPolarHBondContact O-CG 3.43Å; L266-L270 PolarHBondContact O-N 3.24Å; L266-L270 VanDerWaalsContact O-N 3.07Å
267R67.3Low68.6Low98 Ų98103.9 Ų103.937%0.3751%0.511SS..Hα-helixtrans-71.1-38.2178.3-171.416765-173.9-3.3111.3T264 L270 N271T264-R267 PolarHBondContact O-N 3.42Å; R267-L270 PolarHBondContact O-N 3.4Å; R267-N271 VanDerWaalsContact O-CB 3.29Å; R267-N271 WeakPolarHBondContact O-CB 3.13Å; R267-N271 PolarHBondContact O-N 3.46Å; R267-N271 PolarHBondContact O-ND2 3.49Å
268D70.1Confident70Confident77 Ų7799 Ų9941%0.41249%0.49SS..Hα-helixtrans-68.4-39.3177.3-66.1-19.8000111.4T264 R272T264-D268 WeakPolarHBondContact O-CB 3.47Å; T264-D268 PolarHBondContact O-N 3.29Å; D268-R272 VanDerWaalsContact O-CB 3.23Å; D268-R272 WeakPolarHBondContact O-CB 3.46Å; D268-R272 PolarHBondContact O-N 3.48Å
269T71.8Confident71.8Confident50 Ų5092.9 Ų92.931%0.30747%0.466SS..Hα-helixtrans-68.2-38.6175.650.10000113.1V265 L266 K273V265-T269 VanDerWaalsContact O-CG2 3.29Å; V265-T269 WeakPolarHBondContact O-CG2 3.46Å; V265-T269 PolarHBondContact O-N 3Å; V265-T269 VanDerWaalsContact O-N 3.13Å; V265-T269 PolarHBondContact O-OG1 3.19Å; L266-T269 WeakPolarHBondContact CA-OG1 3.13Å; L266-T269 PolarHBondContact O-OG1 3.39Å; T269-K273 WeakPolarHBondContact O-CG 3.45Å; T269-K273 PolarHBondContact O-N 3.49Å; T269-K273 VanDerWaalsContact O-N 3.15Å
270L74.4Confident73.6Confident81 Ų8191.8 Ų91.842%0.42445%0.452SS..Hα-helixtrans-67.4-48.8174.4-75172.7000111.8L266 R267 R272 K273 F274L266-L270 HydrophobicContact CG-CD1 4.39Å; L266-L270 WeakPolarHBondContact O-CB 3.49Å; L266-L270 WeakPolarHBondContact O-CG 3.43Å; L266-L270 PolarHBondContact O-N 3.24Å; L266-L270 VanDerWaalsContact O-N 3.07Å; R267-L270 PolarHBondContact O-N 3.4Å; L270-R272 VanDerWaalsContact C-N 3.25Å; L270-R272 PolarHBondContact O-N 3.3Å; L270-K273 PolarHBondContact O-N 2.9Å; L270-K273 VanDerWaalsContact O-N 3.16Å; L270-F274 HydrophobicContact CB-CE2 4.39Å; L270-F274 WeakPolarHBondContact O-CD2 3.35Å; L270-F274 PolarHBondContact O-N 3.09Å
271N78.2Confident75.5Confident36 Ų3687.9 Ų87.919%0.19343%0.431CS..Hα-helixtrans-58.4-38.7177.5-73.8-22000111.9R267 F274 S275R267-N271 VanDerWaalsContact O-CB 3.29Å; R267-N271 WeakPolarHBondContact O-CB 3.13Å; R267-N271 PolarHBondContact O-N 3.46Å; R267-N271 PolarHBondContact O-ND2 3.49Å; N271-F274 PolarHBondContact O-N 3.46Å; N271-S275 WeakPolarHBondContact O-CB 3.21Å; N271-S275 PolarHBondContact O-N 2.92Å
272R77.1Confident77.6Confident129 Ų12978.3 Ų78.349%0.48740%0.395SS..Hα-helixtrans-64-45.6175.9-171.1168.969.1110.2-0.6112.2D194 D268 L270 F274 S275 V276D194-R272 IonicContact OD2-CZ 2.72Å; D194-R272 IonicContact OD2-NH1 3.18Å; D194-R272 PolarHBondContact OD2-NH1 3.03Å; D268-R272 VanDerWaalsContact O-CB 3.23Å; D268-R272 WeakPolarHBondContact O-CB 3.46Å; D268-R272 PolarHBondContact O-N 3.48Å; L270-R272 VanDerWaalsContact C-N 3.25Å; L270-R272 PolarHBondContact O-N 3.3Å; R272-F274 VanDerWaalsContact C-N 3.33Å; R272-F274 PolarHBondContact O-N 3.14Å; R272-S275 PolarHBondContact O-N 2.81Å; R272-V276 WeakPolarHBondContact O-CG2 3.47Å; R272-V276 PolarHBondContact O-N 3.31Å
273K83.3Confident79.5Confident150 Ų15070.1 Ų70.165%0.65236%0.357SS*.Hα-helixtrans-59.8-42.7176.1-73.5177.4-178.9-177.60112T269 L270 A277T269-K273 WeakPolarHBondContact O-CG 3.45Å; T269-K273 PolarHBondContact O-N 3.49Å; T269-K273 VanDerWaalsContact O-N 3.15Å; L270-K273 PolarHBondContact O-N 2.9Å; L270-K273 VanDerWaalsContact O-N 3.16Å; K273-A277 WeakPolarHBondContact O-CB 3.38Å; K273-A277 PolarHBondContact O-N 3.42Å
274F86.2Confident81.4Confident108 Ų10865.6 Ų65.647%0.47433%0.331SS..Hα-helixtrans-65.9-42.5175.9-70.9-61.7000112.3L251 L270 N271 R272 V276 A277 F278L251-F274 HydrophobicContact CD1-CB 4.31Å; L270-F274 HydrophobicContact CB-CE2 4.39Å; L270-F274 WeakPolarHBondContact O-CD2 3.35Å; L270-F274 PolarHBondContact O-N 3.09Å; N271-F274 PolarHBondContact O-N 3.46Å; R272-F274 VanDerWaalsContact C-N 3.33Å; R272-F274 PolarHBondContact O-N 3.14Å; F274-V276 PolarHBondContact O-N 3.26Å; F274-A277 PolarHBondContact O-N 3.35Å; F274-F278 HydrophobicContact CB-CD2 4.43Å; F274-F278 HydrophobicContact CB-CE2 4.06Å; F274-F278 WeakPolarHBondContact O-CD2 3.37Å; F274-F278 WeakPolarHBondContact O-CG 3.39Å; F274-F278 PolarHBondContact O-N 2.92Å
275S85.8Confident83Confident15 Ų1563.3 Ų63.311%0.10532%0.316CS..Hα-helixtrans-62.1-42.5177-175.70000112.2Q248 N271 R272 A277 F278 S279Q248-S275 PolarHBondContact NE2-OG 2.9Å; Q248-S275 PolarHBondContact OE1-O 3.3Å; Q248-S275 PolarHBondContact OE1-OG 3.22Å; N271-S275 WeakPolarHBondContact O-CB 3.21Å; N271-S275 PolarHBondContact O-N 2.92Å; R272-S275 PolarHBondContact O-N 2.81Å; S275-A277 PolarHBondContact O-N 3.39Å; S275-F278 PolarHBondContact O-N 2.79Å; S275-S279 WeakPolarHBondContact O-CB 3.35Å; S275-S279 PolarHBondContact O-N 3.47Å; S275-S279 PolarHBondContact O-OG 3.46Å
276V86.3Confident84.4Confident47 Ų4758 Ų5829%0.28528%0.284SS..Hα-helixtrans-62.4-44.3174.41730000110.8R272 F274 F278 S279 I280R272-V276 WeakPolarHBondContact O-CG2 3.47Å; R272-V276 PolarHBondContact O-N 3.31Å; F274-V276 PolarHBondContact O-N 3.26Å; V276-F278 PolarHBondContact O-N 3.32Å; V276-S279 WeakPolarHBondContact O-CB 3.46Å; V276-S279 PolarHBondContact O-N 3.06Å; V276-I280 HydrophobicContact CG1-CD1 3.86Å; V276-I280 HydrophobicContact CG1-CG1 4.47Å; V276-I280 WeakPolarHBondContact O-CG1 3.39Å; V276-I280 PolarHBondContact O-N 3.48Å
277A89.6Confident85.8Confident42 Ų4253.1 Ų53.135%0.34726%0.258SS..Hα-helixtrans-60.4-47.3178.100000112.4K273 F274 S275 S279 I280 I281K273-A277 WeakPolarHBondContact O-CB 3.38Å; K273-A277 PolarHBondContact O-N 3.42Å; F274-A277 PolarHBondContact O-N 3.35Å; S275-A277 PolarHBondContact O-N 3.39Å; A277-S279 VanDerWaalsContact C-N 3.31Å; A277-S279 PolarHBondContact O-N 3.29Å; A277-I280 PolarHBondContact O-N 3.3Å; A277-I281 WeakPolarHBondContact O-CG1 3.21Å; A277-I281 PolarHBondContact O-N 2.91Å; A277-I281 VanDerWaalsContact O-N 3.07Å
278F91.4Very high87.1Confident50 Ų5048.5 Ų48.522%0.21924%0.24CC..Hα-helixtrans-66-33.5176.4-63.9-47000112.4L247 L251 F274 S275 V276 G282L247-F278 HydrophobicContact CB-CD2 4.19Å; L247-F278 HydrophobicContact CB-CE2 4.26Å; L247-F278 HydrophobicContact CB-CG 4.33Å; L247-F278 HydrophobicContact CB-CZ 4.47Å; L247-F278 HydrophobicContact CD1-CD1 4.09Å; L247-F278 HydrophobicContact CD1-CE1 3.73Å; L247-F278 HydrophobicContact CD1-CZ 4.03Å; L251-F278 HydrophobicContact CD1-CD2 3.55Å; L251-F278 HydrophobicContact CD1-CE2 3.74Å; F274-F278 HydrophobicContact CB-CD2 4.43Å; F274-F278 HydrophobicContact CB-CE2 4.06Å; F274-F278 WeakPolarHBondContact O-CD2 3.37Å; F274-F278 WeakPolarHBondContact O-CG 3.39Å; F274-F278 PolarHBondContact O-N 2.92Å; S275-F278 PolarHBondContact O-N 2.79Å; V276-F278 PolarHBondContact O-N 3.32Å; F278-G282 PolarHBondContact O-N 2.94Å
279S90.8Very high88.2Confident0 Ų044.9 Ų44.90%022%0.221CC..Hα-helixtrans-62.7-45.8173.9-540000111.8S191 Q248 S275 V276 A277 G282 M283S191-S279 WeakPolarHBondContact CB-OG 3.31Å; Q248-S279 PolarHBondContact NE2-OG 3.26Å; S275-S279 WeakPolarHBondContact O-CB 3.35Å; S275-S279 PolarHBondContact O-N 3.47Å; S275-S279 PolarHBondContact O-OG 3.46Å; V276-S279 WeakPolarHBondContact O-CB 3.46Å; V276-S279 PolarHBondContact O-N 3.06Å; A277-S279 VanDerWaalsContact C-N 3.31Å; A277-S279 PolarHBondContact O-N 3.29Å; S279-G282 PolarHBondContact O-N 2.87Å; S279-M283 WeakPolarHBondContact O-CB 3.4Å; S279-M283 PolarHBondContact O-N 3.1Å
280I91.6Very high89.2Confident73 Ų7342.5 Ų42.537%0.37421%0.206SC..Hα-helixtrans-64.7-45.4179.5-66.7166.7000110.3M192 I213 V276 A277 M283 F284M192-I280 HydrophobicContact SD-CG1 4.23Å; I213-I280 HydrophobicContact CD1-CG2 4.29Å; I213-I280 HydrophobicContact CG1-CG2 4.49Å; V276-I280 HydrophobicContact CG1-CD1 3.86Å; V276-I280 HydrophobicContact CG1-CG1 4.47Å; V276-I280 WeakPolarHBondContact O-CG1 3.39Å; V276-I280 PolarHBondContact O-N 3.48Å; A277-I280 PolarHBondContact O-N 3.3Å; I280-M283 PolarHBondContact O-N 3.46Å; I280-F284 WeakPolarHBondContact O-CB 3.46Å; I280-F284 PolarHBondContact O-N 2.86Å
281I93.9Very high90Very high81 Ų8139.8 Ų39.842%0.41519%0.193SC..Hα-helixtrans-63-44177.1-65.4166.7000110.8I240 A277 S285I240-I281 HydrophobicContact CG2-CG2 3.81Å; A277-I281 WeakPolarHBondContact O-CG1 3.21Å; A277-I281 PolarHBondContact O-N 2.91Å; A277-I281 VanDerWaalsContact O-N 3.07Å; I281-S285 WeakPolarHBondContact O-CB 3.12Å; I281-S285 PolarHBondContact O-N 3.42Å; I281-S285 PolarHBondContact O-OG 3.4Å
282G93.6Very high90.7Very high0 Ų038.2 Ų38.20%019%0.185CC..Hα-helixtrans-64.2-39.6177.400000112.6F188 F278 S279 S285 S286F188-G282 VanDerWaalsContact CD2-C 3.41Å; F278-G282 PolarHBondContact O-N 2.94Å; S279-G282 PolarHBondContact O-N 2.87Å; G282-S285 WeakPolarHBondContact CA-OG 3.33Å; G282-S285 PolarHBondContact O-OG 3.34Å; G282-S285 VanDerWaalsContact O-OG 3.12Å; G282-S286 WeakPolarHBondContact O-CB 3.35Å; G282-S286 PolarHBondContact O-N 3.36Å; G282-S286 PolarHBondContact O-OG 3.17Å
283M92.6Very high91.4Very high0 Ų032.1 Ų32.10%016%0.162CC..Hα-helixtrans-67.8-48177.7-167.6-175.5-47.200111.6H185 F188 A189 M192 M210 I213 S279 I280 S285 S286 H287H185-M283 VanDerWaalsContact CD2-CG 3.4Å; H185-M283 WeakPolarHBondContact CD2-CG 3.4Å; H185-M283 PolarHBondContact CD2-O 3.18Å; H185-M283 WeakPolarHBondContact NE2-CG 3.42Å; F188-M283 HydrophobicContact CB-CB 4.27Å; A189-M283 HydrophobicContact CB-CE 4.08Å; M192-M283 HydrophobicContact CE-CE 4.41Å; M192-M283 HydrophobicContact SD-CE 4.03Å; M210-M283 HydrophobicContact CE-CE 3.63Å; M210-M283 HydrophobicContact CE-SD 3.8Å; M210-M283 HydrophobicContact SD-CE 4Å; M210-M283 HydrophobicContact SD-SD 3.3Å; I213-M283 HydrophobicContact CB-SD 4.4Å; I213-M283 HydrophobicContact CD1-CB 4.41Å; I213-M283 HydrophobicContact CD1-CE 4Å; I213-M283 HydrophobicContact CD1-CG 4.27Å; I213-M283 HydrophobicContact CD1-SD 3.31Å; I213-M283 WeakPolarHBondContact CD1-SD 3.32Å; I213-M283 HydrophobicContact CG1-SD 4.42Å; I213-M283 HydrophobicContact CG2-CB 4.34Å; I213-M283 HydrophobicContact CG2-CG 4.02Å; I213-M283 HydrophobicContact CG2-SD 4.17Å; S279-M283 WeakPolarHBondContact O-CB 3.4Å; S279-M283 PolarHBondContact O-N 3.1Å; I280-M283 PolarHBondContact O-N 3.46Å; M283-S285 VanDerWaalsContact C-N 3.34Å; M283-S285 PolarHBondContact O-N 3.15Å; M283-S286 WeakPolarHBondContact CA-OG 3.43Å; M283-S286 PolarHBondContact O-N 3.43Å; M283-S286 PolarHBondContact O-OG 3.47Å; M283-H287 VanDerWaalsContact O-CB 3.32Å; M283-H287 WeakPolarHBondContact O-CB 3.48Å; M283-H287 PolarHBondContact O-N 3.09Å
284F94.6Very high91.9Very high49 Ų4925.6 Ų25.622%0.21513%0.134CC..Hα-helixtrans-56.9-47.4175.4163.3-92.7000112I213 A216 T217 A220 F237 I280 A288I213-F284 HydrophobicContact CG2-CB 4.08Å; A216-F284 HydrophobicContact CB-CD2 4.24Å; A216-F284 HydrophobicContact CB-CE2 4.41Å; T217-F284 VanDerWaalsContact CA-CE2 3.47Å; T217-F284 WeakPolarHBondContact OG1-CD2 3.49Å; T217-F284 PolarHBondContact OG1-O 3.31Å; A220-F284 HydrophobicContact CB-CE2 3.58Å; A220-F284 HydrophobicContact CB-CZ 3.33Å; F237-F284 HydrophobicContact CD1-CE1 4.37Å; F237-F284 AromaticContact CE1-CE1 3.88Å; F237-F284 HydrophobicContact CE1-CE1 3.88Å; F237-F284 HydrophobicContact CE1-CZ 4.23Å; I280-F284 WeakPolarHBondContact O-CB 3.46Å; I280-F284 PolarHBondContact O-N 2.86Å; F284-A288 WeakPolarHBondContact O-CB 3.38Å; F284-A288 PolarHBondContact O-N 3.34Å; F284-A288 VanDerWaalsContact O-N 3.08Å
285S95.1Very high92.1Very high0 Ų020.7 Ų20.70%011%0.113CC..Hα-helixtrans-71.5-41.5-177.653.60000112.5T241 I281 G282 M283 H287 A288 V289T241-S285 WeakPolarHBondContact OG1-CB 3.33Å; T241-S285 PolarHBondContact OG1-OG 3.5Å; I281-S285 WeakPolarHBondContact O-CB 3.12Å; I281-S285 PolarHBondContact O-N 3.42Å; I281-S285 PolarHBondContact O-OG 3.4Å; G282-S285 WeakPolarHBondContact CA-OG 3.33Å; G282-S285 PolarHBondContact O-OG 3.34Å; G282-S285 VanDerWaalsContact O-OG 3.12Å; M283-S285 VanDerWaalsContact C-N 3.34Å; M283-S285 PolarHBondContact O-N 3.15Å; S285-H287 PolarHBondContact O-N 3.46Å; S285-A288 WeakPolarHBondContact O-CB 3.44Å; S285-A288 PolarHBondContact O-N 3.33Å; S285-V289 WeakPolarHBondContact O-CG2 3.46Å; S285-V289 PolarHBondContact O-N 3.15Å
286S94.8Very high92.3Very high0 Ų020.1 Ų20.10%011%0.108CC..Hα-helixtrans-65.6-36.417657.20000113.1H185 T241 G282 M283 A288 V289 S290H185-S286 WeakPolarHBondContact CA-OG 3.49Å; H185-S286 WeakPolarHBondContact CB-OG 3.45Å; T241-S286 PolarHBondContact OG1-N 3.03Å; G282-S286 WeakPolarHBondContact O-CB 3.35Å; G282-S286 PolarHBondContact O-N 3.36Å; G282-S286 PolarHBondContact O-OG 3.17Å; M283-S286 WeakPolarHBondContact CA-OG 3.43Å; M283-S286 PolarHBondContact O-N 3.43Å; M283-S286 PolarHBondContact O-OG 3.47Å; S286-A288 VanDerWaalsContact C-N 3.35Å; S286-V289 PolarHBondContact O-N 3.21Å; S286-S290 WeakPolarHBondContact O-CB 3.06Å; S286-S290 PolarHBondContact O-N 2.99Å; S286-S290 PolarHBondContact O-OG 3.48Å
287H93.8Very high92.5Very high30 Ų3017.9 Ų17.914%0.13910%0.095CC..Hα-helixtrans-65.8-38.9172.2-170.6-106.6000111.5T217 M283 S285 S290 T291T217-H287 WeakPolarHBondContact CB-ND1 3.35Å; T217-H287 HydrophobicContact CG2-CB 4.29Å; T217-H287 WeakPolarHBondContact CG2-ND1 3.48Å; M283-H287 VanDerWaalsContact O-CB 3.32Å; M283-H287 WeakPolarHBondContact O-CB 3.48Å; M283-H287 PolarHBondContact O-N 3.09Å; S285-H287 PolarHBondContact O-N 3.46Å; H287-S290 PolarHBondContact O-N 3.15Å; H287-T291 WeakPolarHBondContact O-CB 3.19Å; H287-T291 PolarHBondContact O-N 3.37Å; H287-T291 PolarHBondContact O-OG1 3.47Å
288A93.8Very high92.5Very high0 Ų015.9 Ų15.90%08%0.078CC..Hα-helixtrans-62.7-48.5175.300000111.5T217 L221 F237 F284 S285 S286 S290 T291 L292T217-A288 VanDerWaalsContact CG2-CA 3.49Å; T217-A288 HydrophobicContact CG2-CB 3.7Å; L221-A288 HydrophobicContact CD2-CB 3.86Å; L221-A288 HydrophobicContact CG-CB 4.33Å; F237-A288 HydrophobicContact CB-CB 4.23Å; F237-A288 HydrophobicContact CD1-CB 3.96Å; F237-A288 HydrophobicContact CD2-CB 3.93Å; F237-A288 HydrophobicContact CE1-CB 4.29Å; F237-A288 HydrophobicContact CE2-CB 4.28Å; F237-A288 HydrophobicContact CG-CB 3.78Å; F237-A288 HydrophobicContact CZ-CB 4.44Å; F284-A288 WeakPolarHBondContact O-CB 3.38Å; F284-A288 PolarHBondContact O-N 3.34Å; F284-A288 VanDerWaalsContact O-N 3.08Å; S285-A288 WeakPolarHBondContact O-CB 3.44Å; S285-A288 PolarHBondContact O-N 3.33Å; S286-A288 VanDerWaalsContact C-N 3.35Å; A288-S290 VanDerWaalsContact C-N 3.32Å; A288-S290 PolarHBondContact O-N 3.43Å; A288-T291 PolarHBondContact O-N 2.94Å; A288-L292 WeakPolarHBondContact O-CB 3.21Å; A288-L292 WeakPolarHBondContact O-CG 3.37Å; A288-L292 PolarHBondContact O-N 3.28Å
289V94.2Very high92.3Very high1 Ų113.9 Ų13.91%0.0067%0.07CC..Hα-helixtrans-54.8-48.7175.6166.90000110.9N177 L234 F237 M238 S285 S286 L292 S293N177-V289 WeakPolarHBondContact ND2-CG1 3.24Å; L234-V289 HydrophobicContact CD1-CG1 4.14Å; L234-V289 WeakPolarHBondContact CD1-O 3.34Å; F237-V289 HydrophobicContact CB-CG2 3.7Å; M238-V289 HydrophobicContact CB-CG2 4Å; M238-V289 HydrophobicContact CE-CG1 3.6Å; S285-V289 WeakPolarHBondContact O-CG2 3.46Å; S285-V289 PolarHBondContact O-N 3.15Å; S286-V289 PolarHBondContact O-N 3.21Å; V289-L292 PolarHBondContact O-N 2.96Å; V289-S293 WeakPolarHBondContact O-CB 3.45Å; V289-S293 PolarHBondContact O-N 3.27Å
290S92.7Very high92Very high0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-63.9-45.3-176.5-58.60000111.9G181 Y182 S286 H287 A288 S293 I294G181-S290 WeakPolarHBondContact CA-OG 3.44Å; Y182-S290 VanDerWaalsContact CE2-CB 3.45Å; Y182-S290 PolarHBondContact N-OG 3.42Å; S286-S290 WeakPolarHBondContact O-CB 3.06Å; S286-S290 PolarHBondContact O-N 2.99Å; S286-S290 PolarHBondContact O-OG 3.48Å; H287-S290 PolarHBondContact O-N 3.15Å; A288-S290 VanDerWaalsContact C-N 3.32Å; A288-S290 PolarHBondContact O-N 3.43Å; S290-S293 WeakPolarHBondContact O-CB 2.98Å; S290-S293 PolarHBondContact O-N 3.04Å; S290-I294 WeakPolarHBondContact O-CG1 3.48Å; S290-I294 PolarHBondContact O-N 3.22Å
291T91.6Very high91.7Very high24 Ų2410.4 Ų10.415%0.1475%0.052CC..Hα-helixtrans-64.9-45.2178.2-570000111.5L221 H287 A288 S293 I294 F295L221-T291 HydrophobicContact CD1-CG2 3.91Å; H287-T291 WeakPolarHBondContact O-CB 3.19Å; H287-T291 PolarHBondContact O-N 3.37Å; H287-T291 PolarHBondContact O-OG1 3.47Å; A288-T291 PolarHBondContact O-N 2.94Å; T291-S293 VanDerWaalsContact C-N 3.33Å; T291-S293 PolarHBondContact O-N 3.07Å; T291-I294 PolarHBondContact O-N 2.98Å; T291-F295 PolarHBondContact O-N 3.49Å; T291-F295 VanDerWaalsContact O-N 3.1Å
292L91.4Very high91.2Very high4 Ų46.6 Ų6.62%0.0213%0.032CC..Hα-helixtrans-64.8-36.4177-75.1175.7000112.3F49 L221 V225 L234 F237 A288 V289 I294 F295 F296F49-L292 HydrophobicContact CE2-CD2 4.44Å; L221-L292 HydrophobicContact CD2-CD1 3.48Å; L221-L292 VanDerWaalsContact CD2-CD1 3.48Å; L221-L292 HydrophobicContact CD2-CD2 3.85Å; L221-L292 HydrophobicContact CD2-CG 3.48Å; L221-L292 VanDerWaalsContact CD2-CG 3.48Å; V225-L292 HydrophobicContact CG2-CD2 3.51Å; L234-L292 HydrophobicContact CD1-CB 3.86Å; F237-L292 HydrophobicContact CD2-CD1 3.71Å; F237-L292 HydrophobicContact CE2-CD1 4.06Å; A288-L292 WeakPolarHBondContact O-CB 3.21Å; A288-L292 WeakPolarHBondContact O-CG 3.37Å; A288-L292 PolarHBondContact O-N 3.28Å; V289-L292 PolarHBondContact O-N 2.96Å; L292-I294 PolarHBondContact O-N 2.84Å; L292-F295 PolarHBondContact O-N 3.18Å; L292-F296 WeakPolarHBondContact O-CB 3.25Å; L292-F296 PolarHBondContact O-N 2.96Å
293S92.9Very high90.6Very high0 Ų06.7 Ų6.70%03%0.033CC..Hα-helixtrans-59.2-45.5176.5-1580000112.1L174 N177 V289 S290 T291 C297L174-S293 PolarHBondContact O-OG 3.39Å; L174-S293 VanDerWaalsContact O-OG 3.05Å; N177-S293 WeakPolarHBondContact ND2-CB 3.38Å; N177-S293 PolarHBondContact ND2-OG 3.09Å; V289-S293 WeakPolarHBondContact O-CB 3.45Å; V289-S293 PolarHBondContact O-N 3.27Å; S290-S293 WeakPolarHBondContact O-CB 2.98Å; S290-S293 PolarHBondContact O-N 3.04Å; T291-S293 VanDerWaalsContact C-N 3.33Å; T291-S293 PolarHBondContact O-N 3.07Å; S293-C297 WeakPolarHBondContact O-CB 3.28Å; S293-C297 PolarHBondContact O-N 3.29Å
294I92.6Very high90Very high13 Ų138 Ų87%0.0674%0.04CC..Hα-helixtrans-65.7-42.8178.4-64.2165.1000109.9Y36 Y182 S290 T291 L292 C297 A298 L310 V313 L314Y36-I294 HydrophobicContact CE1-CG2 4.24Å; Y36-I294 HydrophobicContact CE2-CG2 4.04Å; Y182-I294 HydrophobicContact CE2-CD1 4.19Å; S290-I294 WeakPolarHBondContact O-CG1 3.48Å; S290-I294 PolarHBondContact O-N 3.22Å; T291-I294 PolarHBondContact O-N 2.98Å; L292-I294 PolarHBondContact O-N 2.84Å; I294-C297 PolarHBondContact O-N 3.33Å; I294-A298 PolarHBondContact O-N 2.86Å; I294-L310 HydrophobicContact CG2-CD1 3.63Å; I294-V313 HydrophobicContact CG1-CG1 4.14Å; I294-L314 HydrophobicContact CD1-CD2 3.75Å; I294-L314 HydrophobicContact CG1-CD2 4.11Å; I294-L314 HydrophobicContact CG2-CD2 4.05Å
295F90.9Very high89.5Confident5 Ų55.9 Ų5.92%0.0223%0.031CC..Hα-helixtrans-62.6-48.3176.6-175.6-100000112.6Y36 F49 T52 T291 L292 C297 A298 E299Y36-F295 VanDerWaalsContact OH-CA 3.25Å; Y36-F295 WeakPolarHBondContact OH-CA 3.4Å; Y36-F295 PolarHBondContact OH-N 2.84Å; F49-F295 HydrophobicContact CB-CE1 4.38Å; F49-F295 HydrophobicContact CB-CE2 4.19Å; F49-F295 HydrophobicContact CB-CZ 3.72Å; F49-F295 HydrophobicContact CD2-CD1 4.12Å; F49-F295 HydrophobicContact CD2-CD2 4.41Å; F49-F295 AromaticContact CD2-CE1 3.8Å; F49-F295 HydrophobicContact CD2-CE1 3.8Å; F49-F295 HydrophobicContact CD2-CE2 4.11Å; F49-F295 HydrophobicContact CD2-CG 4.41Å; F49-F295 AromaticContact CD2-CZ 3.8Å; F49-F295 HydrophobicContact CD2-CZ 3.8Å; F49-F295 HydrophobicContact CG-CZ 4.26Å; T52-F295 HydrophobicContact CG2-CD2 4.11Å; T291-F295 PolarHBondContact O-N 3.49Å; T291-F295 VanDerWaalsContact O-N 3.1Å; L292-F295 PolarHBondContact O-N 3.18Å; F295-C297 VanDerWaalsContact C-N 3.3Å; F295-C297 PolarHBondContact O-N 3Å; F295-A298 PolarHBondContact O-N 3.37Å; F295-A298 VanDerWaalsContact O-N 3.16Å; F295-E299 HydrophobicContact CE1-CG 4.3Å; F295-E299 WeakPolarHBondContact CE1-OE1 3.4Å; F295-E299 WeakPolarHBondContact CE1-OE2 3.44Å; F295-E299 HydrophobicContact CZ-CG 4.31Å; F295-E299 WeakPolarHBondContact CZ-OE1 3.32Å; F295-E299 PolarHBondContact O-N 3.33Å
296F89.6Confident89.2Confident3 Ų35.9 Ų5.91%0.0133%0.031CC..Hα-helixtrans-61.4-39.1178.2-164.9-84.9000111.8L174 R230 R231 L292 A298 E299 I300 L356 P357 P359L174-F296 HydrophobicContact CD1-CD1 3.78Å; L174-F296 HydrophobicContact CD1-CE1 4.43Å; L174-F296 HydrophobicContact CD2-CB 4.23Å; L174-F296 HydrophobicContact CD2-CD1 3.65Å; L174-F296 HydrophobicContact CD2-CE1 4.31Å; L174-F296 HydrophobicContact CD2-CG 4.26Å; L174-F296 HydrophobicContact CG-CD1 4.27Å; R230-F296 HydrophobicContact CB-CD2 4Å; R230-F296 HydrophobicContact CB-CE2 4.28Å; R231-F296 HydrophobicContact CB-CE2 4.31Å; L292-F296 WeakPolarHBondContact O-CB 3.25Å; L292-F296 PolarHBondContact O-N 2.96Å; F296-A298 PolarHBondContact O-N 3.17Å; F296-E299 PolarHBondContact O-N 3.43Å; F296-I300 HydrophobicContact CD1-CD1 3.53Å; F296-I300 HydrophobicContact CD1-CG1 4.08Å; F296-I300 HydrophobicContact CE1-CD1 3Å; F296-I300 HydrophobicContact CE1-CG1 3.97Å; F296-I300 HydrophobicContact CZ-CD1 3.71Å; F296-I300 PolarHBondContact O-N 3.46Å; F296-I300 VanDerWaalsContact O-N 3.11Å; F296-L356 HydrophobicContact CD1-CD2 3.97Å; F296-L356 HydrophobicContact CE1-CB 4.25Å; F296-L356 HydrophobicContact CE1-CD2 3.27Å; F296-L356 HydrophobicContact CE1-CG 3.97Å; F296-L356 HydrophobicContact CZ-CB 4.11Å; F296-L356 HydrophobicContact CZ-CD2 3.82Å; F296-L356 HydrophobicContact CZ-CG 4.34Å; F296-P357 VanDerWaalsContact CZ-O 3.28Å; F296-P357 WeakPolarHBondContact CZ-O 3.47Å; F296-P359 HydrophobicContact CD2-CG 3.78Å; F296-P359 HydrophobicContact CE2-CG 3.43Å; F296-P359 VanDerWaalsContact CE2-CG 3.43Å; F296-P359 HydrophobicContact CZ-CG 4.02Å
297C90.8Very high88.9Confident0 Ų07.2 Ų7.20%05%0.045CC..Hα-helixtrans-59.4-44.9174-179.80000112.2L174 S293 I294 F295 E299 I300 T301 L310 V313L174-C297 HydrophobicContact CD1-CB 3.89Å; S293-C297 WeakPolarHBondContact O-CB 3.28Å; S293-C297 PolarHBondContact O-N 3.29Å; I294-C297 PolarHBondContact O-N 3.33Å; F295-C297 VanDerWaalsContact C-N 3.3Å; F295-C297 PolarHBondContact O-N 3Å; C297-E299 PolarHBondContact O-N 3.44Å; C297-I300 PolarHBondContact O-N 3.34Å; C297-T301 WeakPolarHBondContact O-CB 3.47Å; C297-T301 VanDerWaalsContact O-CG2 3.25Å; C297-T301 WeakPolarHBondContact O-CG2 3.23Å; C297-T301 PolarHBondContact O-N 3.27Å; C297-T301 PolarHBondContact O-OG1 2.91Å; C297-L310 HydrophobicContact CB-CD1 4.49Å; C297-V313 HydrophobicContact CB-CB 4.45Å; C297-V313 HydrophobicContact CB-CG2 3.97Å; C297-V313 WeakPolarHBondContact SG-CG2 3.4Å
298A89.5Confident88.7Confident0 Ų06.6 Ų6.60%05%0.047CC..Hα-helixtrans-66.5-23.1-178.500000113.8Y36 I40 I294 F295 F296 R306 L310Y36-A298 HydrophobicContact CD1-CB 4.47Å; Y36-A298 HydrophobicContact CE1-CB 3.72Å; I40-A298 HydrophobicContact CD1-CB 3.36Å; I294-A298 PolarHBondContact O-N 2.86Å; F295-A298 PolarHBondContact O-N 3.37Å; F295-A298 VanDerWaalsContact O-N 3.16Å; F296-A298 PolarHBondContact O-N 3.17Å; A298-R306 PolarHBondContact O-NE 3.23Å; A298-L310 HydrophobicContact CB-CD1 4.28Å
299E86.6Confident88.6Confident9 Ų96.6 Ų6.64%0.0425%0.047CC..Hα-helixtrans-88.8-32.9178.4-66.1-173.1138.700113.6R230 F295 F296 C297 L364 P365R230-E299 WeakPolarHBondContact CD-OE2 3.32Å; R230-E299 IonicContact CZ-OE1 3.6Å; R230-E299 IonicContact CZ-OE2 3.16Å; R230-E299 IonicContact NE-OE1 2.6Å; R230-E299 IonicContact NE-OE2 3.29Å; R230-E299 PolarHBondContact NE-OE2 3.04Å; R230-E299 VanDerWaalsContact NE-OE2 3.16Å; R230-E299 IonicContact NH1-OE1 2.88Å; R230-E299 PolarHBondContact NH1-OE1 3.05Å; R230-E299 IonicContact NH1-OE2 3.68Å; R230-E299 PolarHBondContact NH1-OE2 3.49Å; R230-E299 IonicContact NH2-OE1 3.66Å; R230-E299 PolarHBondContact NH2-OE1 3.47Å; R230-E299 IonicContact NH2-OE2 2.79Å; F295-E299 HydrophobicContact CE1-CG 4.3Å; F295-E299 WeakPolarHBondContact CE1-OE1 3.4Å; F295-E299 WeakPolarHBondContact CE1-OE2 3.44Å; F295-E299 HydrophobicContact CZ-CG 4.31Å; F295-E299 WeakPolarHBondContact CZ-OE1 3.32Å; F295-E299 PolarHBondContact O-N 3.33Å; F296-E299 PolarHBondContact O-N 3.43Å; C297-E299 PolarHBondContact O-N 3.44Å; E299-L364 HydrophobicContact CB-CD2 4.48Å; E299-P365 VanDerWaalsContact O-CD 3.24Å; E299-P365 WeakPolarHBondContact O-CD 3.29Å
300I84.8Confident88.5Confident0 Ų06.5 Ų6.50%05%0.047CC..Hα-helixtrans-79.1-29176.3-67.7-166000112L167 N170 F296 C297 P357 P365 F374L167-I300 HydrophobicContact CD1-CG2 4.04Å; N170-I300 HydrophobicContact CB-CG2 4.38Å; F296-I300 HydrophobicContact CD1-CD1 3.53Å; F296-I300 HydrophobicContact CD1-CG1 4.08Å; F296-I300 HydrophobicContact CE1-CD1 3Å; F296-I300 HydrophobicContact CE1-CG1 3.97Å; F296-I300 HydrophobicContact CZ-CD1 3.71Å; F296-I300 PolarHBondContact O-N 3.46Å; F296-I300 VanDerWaalsContact O-N 3.11Å; C297-I300 PolarHBondContact O-N 3.34Å; I300-P357 HydrophobicContact CD1-CG 4.43Å; I300-P365 VanDerWaalsContact O-CG 3.3Å; I300-P365 WeakPolarHBondContact O-CG 3.29Å; I300-F374 HydrophobicContact CD1-CD1 4.35Å; I300-F374 HydrophobicContact CD1-CE1 3.73Å; I300-F374 HydrophobicContact CG1-CD1 4.41Å; I300-F374 HydrophobicContact CG1-CE1 3.73Å; I300-F374 HydrophobicContact CG1-CZ 4.27Å; I300-F374 HydrophobicContact CG2-CD1 4.32Å; I300-F374 HydrophobicContact CG2-CE1 4.47Å
301T85.6Confident88.6Confident0 Ų07.6 Ų7.60%06%0.057CC..SBendtrans-75.6131.7-177.646.60000112I171 C297 R306I171-T301 HydrophobicContact CD1-CG2 3.27Å; I171-T301 HydrophobicContact CG1-CG2 4.33Å; C297-T301 WeakPolarHBondContact O-CB 3.47Å; C297-T301 VanDerWaalsContact O-CG2 3.25Å; C297-T301 WeakPolarHBondContact O-CG2 3.23Å; C297-T301 PolarHBondContact O-N 3.27Å; C297-T301 PolarHBondContact O-OG1 2.91Å; T301-R306 PolarHBondContact O-NE 2.92Å; T301-R306 PolarHBondContact O-NH2 3.41Å; T301-R306 WeakPolarHBondContact OG1-CG 3.31Å
302P83.1Confident88.7Confident0 Ų09.6 Ų9.60%07%0.067CC..  trans-68.3145.7178.413.8-13.7000112L167 V304 I305 R306 P365 S367L167-P302 HydrophobicContact CD2-CG 3.92Å; P302-V304 HydrophobicContact CB-CG2 4.27Å; P302-V304 PolarHBondContact O-N 3.05Å; P302-V304 VanDerWaalsContact O-N 3.09Å; P302-I305 HydrophobicContact CB-CG1 4.5Å; P302-I305 HydrophobicContact CG-CD1 3.82Å; P302-I305 HydrophobicContact CG-CG1 3.7Å; P302-I305 CarbonylContact O-C 3.51Å; P302-I305 PolarHBondContact O-N 3.49Å; P302-R306 WeakPolarHBondContact O-CA 3.33Å; P302-R306 WeakPolarHBondContact O-CB 3.32Å; P302-R306 PolarHBondContact O-N 3.41Å; P302-P365 WeakPolarHBondContact CA-O 3.41Å; P302-P365 HydrophobicContact CB-CB 4.09Å; P302-P365 HydrophobicContact CB-CG 4.42Å; P302-S367 VanDerWaalsContact CB-O 3.3Å; P302-S367 WeakPolarHBondContact CB-O 2.96Å
303T82.7Confident88.8Confident3 Ų39.4 Ų9.42%0.0187%0.066CC..THydrogen-bonded Turntrans-48.7-40.8-175.953.10000113R108 A112 I305 P365 E366R108-T303 HydrophobicContact CB-CG2 4.17Å; A112-T303 WeakPolarHBondContact CB-OG1 3.43Å; T303-I305 VanDerWaalsContact C-N 3.27Å; T303-I305 PolarHBondContact O-N 3.37Å; T303-P365 PolarHBondContact N-O 2.64Å; T303-E366 HydrophobicContact CG2-CG 4.47Å; T303-E366 WeakPolarHBondContact OG1-CA 3.27Å; T303-E366 PolarHBondContact OG1-O 3.41Å
304V78.6Confident88.9Confident26 Ų2612 Ų1216%0.1588%0.079CC..THydrogen-bonded Turntrans-60.7-29-179.3-69.10000114.9A112 P302 L368A112-V304 HydrophobicContact CB-CG1 3.67Å; A112-V304 WeakPolarHBondContact O-CG1 3.41Å; P302-V304 HydrophobicContact CB-CG2 4.27Å; P302-V304 PolarHBondContact O-N 3.05Å; P302-V304 VanDerWaalsContact O-N 3.09Å; V304-L368 HydrophobicContact CG2-CG 4.43Å
305I84.3Confident89Confident5 Ų513.6 Ų13.63%0.02610%0.095CC..THydrogen-bonded Turntrans-130.38.9-175.359.3178.4000112.8M161 L167 P302 T303 G307 G308 G309 L368M161-I305 HydrophobicContact CB-CD1 3.8Å; M161-I305 HydrophobicContact CG-CD1 3.72Å; M161-I305 HydrophobicContact SD-CD1 4.05Å; L167-I305 HydrophobicContact CD2-CD1 3.74Å; P302-I305 HydrophobicContact CB-CG1 4.5Å; P302-I305 HydrophobicContact CG-CD1 3.82Å; P302-I305 HydrophobicContact CG-CG1 3.7Å; P302-I305 CarbonylContact O-C 3.51Å; P302-I305 PolarHBondContact O-N 3.49Å; T303-I305 VanDerWaalsContact C-N 3.27Å; T303-I305 PolarHBondContact O-N 3.37Å; I305-G307 VanDerWaalsContact C-N 3.3Å; I305-G307 PolarHBondContact O-N 3.08Å; I305-G308 WeakPolarHBondContact O-CA 3.44Å; I305-G308 PolarHBondContact O-N 3.18Å; I305-G309 PolarHBondContact O-N 3.2Å; I305-L368 HydrophobicContact CD1-CD2 3.58Å; I305-L368 HydrophobicContact CD1-CG 4.2Å
306R89Confident89.2Confident0 Ų014.1 Ų14.10%010%0.099CC..Hα-helixtrans-53.6-46.6-179175173-61122.48.5112.2V37 E41 A298 T301 P302 G308 G309 L310V37-R306 HydrophobicContact CG2-CG 4.38Å; E41-R306 IonicContact OE1-CZ 3.98Å; E41-R306 IonicContact OE1-NH1 2.99Å; E41-R306 PolarHBondContact OE1-NH1 3.4Å; A298-R306 PolarHBondContact O-NE 3.23Å; T301-R306 PolarHBondContact O-NE 2.92Å; T301-R306 PolarHBondContact O-NH2 3.41Å; T301-R306 WeakPolarHBondContact OG1-CG 3.31Å; P302-R306 WeakPolarHBondContact O-CA 3.33Å; P302-R306 WeakPolarHBondContact O-CB 3.32Å; P302-R306 PolarHBondContact O-N 3.41Å; R306-G308 PolarHBondContact O-N 2.98Å; R306-G309 PolarHBondContact O-N 3.2Å; R306-L310 WeakPolarHBondContact O-CB 3.39Å; R306-L310 PolarHBondContact O-N 3.02Å
307G89.2Confident89.4Confident28 Ų2814.1 Ų14.129%0.28910%0.1SC..Hα-helixtrans-56.7-39.117600000112.7I305 G311I305-G307 VanDerWaalsContact C-N 3.3Å; I305-G307 PolarHBondContact O-N 3.08Å; G307-G311 WeakPolarHBondContact O-CA 3.42Å; G307-G311 PolarHBondContact O-N 2.99Å
308G89.5Confident89.4Confident17 Ų1715.3 Ų15.318%0.17511%0.112CC..Hα-helixtrans-69.3-47.9177.400000113.2I305 R306 G311 L312I305-G308 WeakPolarHBondContact O-CA 3.44Å; I305-G308 PolarHBondContact O-N 3.18Å; R306-G308 PolarHBondContact O-N 2.98Å; G308-G311 PolarHBondContact O-N 2.68Å; G308-L312 PolarHBondContact O-N 3.48Å
309G90.6Very high89.5Confident0 Ų022 Ų220%014%0.141CC..Hα-helixtrans-65.9-44.2179.500000112.8I305 R306 G311 L312 V313I305-G309 PolarHBondContact O-N 3.2Å; R306-G309 PolarHBondContact O-N 3.2Å; G309-G311 VanDerWaalsContact C-N 3.34Å; G309-L312 PolarHBondContact O-N 3.5Å; G309-V313 PolarHBondContact O-N 3.41Å
310L93.2Very high89.8Confident0 Ų021.5 Ų21.50%014%0.139CC..Hα-helixtrans-65-39.5174.6-17566.3000111.6L33 Y36 V37 I294 C297 A298 R306 L312 V313 L314L33-L310 HydrophobicContact CD1-CB 3.85Å; L33-L310 HydrophobicContact CD1-CD2 3.67Å; L33-L310 HydrophobicContact CD1-CG 3.72Å; Y36-L310 HydrophobicContact CD1-CD1 4.31Å; Y36-L310 HydrophobicContact CD1-CD2 3.25Å; Y36-L310 HydrophobicContact CD1-CG 4.39Å; Y36-L310 HydrophobicContact CE1-CD1 4.1Å; Y36-L310 HydrophobicContact CE1-CD2 3.84Å; Y36-L310 HydrophobicContact CG-CD2 3.98Å; V37-L310 HydrophobicContact CG2-CD2 3.88Å; I294-L310 HydrophobicContact CG2-CD1 3.63Å; C297-L310 HydrophobicContact CB-CD1 4.49Å; A298-L310 HydrophobicContact CB-CD1 4.28Å; R306-L310 WeakPolarHBondContact O-CB 3.39Å; R306-L310 PolarHBondContact O-N 3.02Å; L310-L312 VanDerWaalsContact C-N 3.3Å; L310-L312 PolarHBondContact O-N 3.48Å; L310-V313 PolarHBondContact O-N 3.28Å; L310-L314 HydrophobicContact CG-CD1 4.14Å; L310-L314 HydrophobicContact CG-CG 4.46Å; L310-L314 WeakPolarHBondContact O-CB 3.28Å; L310-L314 WeakPolarHBondContact O-CG 3.04Å; L310-L314 PolarHBondContact O-N 2.92Å
311G93.6Very high90Very high22 Ų2226 Ų2623%0.22716%0.161CC..Hα-helixtrans-58.9-39.917400000112.6G307 G308 G309 L314 A315G307-G311 WeakPolarHBondContact O-CA 3.42Å; G307-G311 PolarHBondContact O-N 2.99Å; G308-G311 PolarHBondContact O-N 2.68Å; G309-G311 VanDerWaalsContact C-N 3.34Å; G311-L314 PolarHBondContact O-N 3.31Å; G311-A315 VanDerWaalsContact O-CB 3.32Å; G311-A315 WeakPolarHBondContact O-CB 3.23Å; G311-A315 PolarHBondContact O-N 2.98Å
312L93.8Very high90.3Very high66 Ų6630.3 Ų30.335%0.34618%0.183SC..Hα-helixtrans-66.1-42.3177.2-170.264.5000112.3W168 I171 G308 G309 L310 A315 S316W168-L312 HydrophobicContact CH2-CD2 3.96Å; W168-L312 HydrophobicContact CZ3-CD2 3.89Å; I171-L312 HydrophobicContact CG2-CD2 3.89Å; G308-L312 PolarHBondContact O-N 3.48Å; G309-L312 PolarHBondContact O-N 3.5Å; L310-L312 VanDerWaalsContact C-N 3.3Å; L310-L312 PolarHBondContact O-N 3.48Å; L312-A315 PolarHBondContact O-N 3.49Å; L312-S316 PolarHBondContact O-N 3.34Å
313V94.8Very high90.5Very high0 Ų030.6 Ų30.60%019%0.185CC..Hα-helixtrans-68-39.1176.2175.70000111.6I171 L174 I294 C297 G309 L310 A315 S316 A317I171-V313 HydrophobicContact CG2-CG2 4.47Å; L174-V313 HydrophobicContact CB-CG2 4.07Å; I294-V313 HydrophobicContact CG1-CG1 4.14Å; C297-V313 HydrophobicContact CB-CB 4.45Å; C297-V313 HydrophobicContact CB-CG2 3.97Å; C297-V313 WeakPolarHBondContact SG-CG2 3.4Å; G309-V313 PolarHBondContact O-N 3.41Å; L310-V313 PolarHBondContact O-N 3.28Å; V313-A315 VanDerWaalsContact C-N 3.33Å; V313-S316 PolarHBondContact O-N 2.86Å; V313-S316 PolarHBondContact O-OG 2.89Å; V313-A317 WeakPolarHBondContact O-CB 3.36Å; V313-A317 PolarHBondContact O-N 3.15Å
314L94.3Very high90.6Very high54 Ų5432 Ų3228%0.28320%0.198SC..Hα-helixtrans-67.4-34.4174.4-71.6174.8000112.1L33 I294 L310 G311 A317 G318L33-L314 HydrophobicContact CB-CD1 4.33Å; L33-L314 HydrophobicContact CD1-CD1 3.94Å; I294-L314 HydrophobicContact CD1-CD2 3.75Å; I294-L314 HydrophobicContact CG1-CD2 4.11Å; I294-L314 HydrophobicContact CG2-CD2 4.05Å; L310-L314 HydrophobicContact CG-CD1 4.14Å; L310-L314 HydrophobicContact CG-CG 4.46Å; L310-L314 WeakPolarHBondContact O-CB 3.28Å; L310-L314 WeakPolarHBondContact O-CG 3.04Å; L310-L314 PolarHBondContact O-N 2.92Å; G311-L314 PolarHBondContact O-N 3.31Å; L314-A317 WeakPolarHBondContact O-CB 3.31Å; L314-A317 PolarHBondContact O-N 3.05Å; L314-G318 PolarHBondContact O-N 3Å
315A94.5Very high90.9Very high48 Ų4834.3 Ų34.340%0.39721%0.213SC..Hα-helixtrans-65.6-43.3173.300000111.2G311 L312 V313 A317 G318 F319G311-A315 VanDerWaalsContact O-CB 3.32Å; G311-A315 WeakPolarHBondContact O-CB 3.23Å; G311-A315 PolarHBondContact O-N 2.98Å; L312-A315 PolarHBondContact O-N 3.49Å; V313-A315 VanDerWaalsContact C-N 3.33Å; A315-A317 VanDerWaalsContact C-N 3.35Å; A315-A317 PolarHBondContact O-N 2.73Å; A315-G318 WeakPolarHBondContact O-CA 3.42Å; A315-G318 PolarHBondContact O-N 2.9Å; A315-F319 WeakPolarHBondContact O-CD2 3.37Å; A315-F319 PolarHBondContact O-N 3.03Å
316S94.9Very high91Very high15 Ų1537.9 Ų37.911%0.10523%0.231CC..Hα-helixtrans-65.5-36.9176.378.30000112.5C175 L179 L312 V313 G318 F319 G320C175-S316 VanDerWaalsContact CA-OG 3.27Å; C175-S316 WeakPolarHBondContact CA-OG 3.4Å; C175-S316 WeakPolarHBondContact O-CB 3.19Å; C175-S316 PolarHBondContact O-OG 3.33Å; L179-S316 WeakPolarHBondContact CD1-O 3.35Å; L312-S316 PolarHBondContact O-N 3.34Å; V313-S316 PolarHBondContact O-N 2.86Å; V313-S316 PolarHBondContact O-OG 2.89Å; S316-G318 VanDerWaalsContact C-N 3.3Å; S316-G318 PolarHBondContact O-N 3.44Å; S316-F319 PolarHBondContact O-N 3.07Å; S316-G320 PolarHBondContact O-N 2.71Å
317A93.3Very high90.5Very high4 Ų438.1 Ų38.13%0.03323%0.232CC..Hα-helixtrans-57.1-43.8167.600000112S178 Y182 V313 L314 A315 F319 G320 M321S178-A317 WeakPolarHBondContact OG-CB 3.45Å; Y182-A317 HydrophobicContact CD2-CB 3.37Å; Y182-A317 HydrophobicContact CE2-CB 3.46Å; Y182-A317 VanDerWaalsContact CE2-CB 3.46Å; Y182-A317 HydrophobicContact CG-CB 4.36Å; V313-A317 WeakPolarHBondContact O-CB 3.36Å; V313-A317 PolarHBondContact O-N 3.15Å; L314-A317 WeakPolarHBondContact O-CB 3.31Å; L314-A317 PolarHBondContact O-N 3.05Å; A315-A317 VanDerWaalsContact C-N 3.35Å; A315-A317 PolarHBondContact O-N 2.73Å; A317-F319 PolarHBondContact O-N 3.34Å; A317-G320 WeakPolarHBondContact O-CA 3.31Å; A317-G320 PolarHBondContact O-N 3.4Å; A317-M321 PolarHBondContact O-N 3.34Å
318G91.9Very high89.9Confident24 Ų2442.6 Ų42.625%0.24725%0.246CC..Hα-helixtrans-55.5-47.1173.800000112.9L314 A315 S316 G320 M321 L322L314-G318 PolarHBondContact O-N 3Å; A315-G318 WeakPolarHBondContact O-CA 3.42Å; A315-G318 PolarHBondContact O-N 2.9Å; S316-G318 VanDerWaalsContact C-N 3.3Å; S316-G318 PolarHBondContact O-N 3.44Å; G318-G320 VanDerWaalsContact C-N 3.27Å; G318-G320 PolarHBondContact O-N 2.98Å; G318-M321 WeakPolarHBondContact O-CB 3.33Å; G318-M321 PolarHBondContact O-N 3.21Å; G318-M321 VanDerWaalsContact O-N 3.15Å; G318-L322 PolarHBondContact O-N 2.9Å
319F92.1Very high89.4Confident140 Ų14048.9 Ų48.961%0.61427%0.274SS*.Hα-helixtrans-60.6-36.1173.2-75.9-72.3000112.4L179 A315 S316 A317 M321 L322L179-F319 HydrophobicContact CD1-CB 3.77Å; A315-F319 WeakPolarHBondContact O-CD2 3.37Å; A315-F319 PolarHBondContact O-N 3.03Å; S316-F319 PolarHBondContact O-N 3.07Å; A317-F319 PolarHBondContact O-N 3.34Å; F319-M321 VanDerWaalsContact C-N 3.34Å; F319-M321 PolarHBondContact O-N 3.5Å; F319-L322 HydrophobicContact CD1-CD1 4Å; F319-L322 WeakPolarHBondContact O-CB 3.36Å; F319-L322 PolarHBondContact O-N 3.26Å
320G91.5Very high88.5Confident0 Ų054.1 Ų54.10%030%0.299CS..Hα-helixtrans-61.6-41.3174.100000112.5L179 G183 S316 A317 G318 L322 T323L179-G320 VanDerWaalsContact CD1-N 3.32Å; G183-G320 WeakPolarHBondContact CA-O 3.5Å; S316-G320 PolarHBondContact O-N 2.71Å; A317-G320 WeakPolarHBondContact O-CA 3.31Å; A317-G320 PolarHBondContact O-N 3.4Å; G318-G320 VanDerWaalsContact C-N 3.27Å; G318-G320 PolarHBondContact O-N 2.98Å; G320-L322 VanDerWaalsContact C-N 3.29Å; G320-L322 PolarHBondContact O-N 2.93Å; G320-T323 WeakPolarHBondContact O-CB 3.24Å; G320-T323 PolarHBondContact O-N 3.33Å; G320-T323 VanDerWaalsContact O-N 3.16Å; G320-T323 PolarHBondContact O-OG1 2.91Å
321M90.8Very high87Confident95 Ų9560.3 Ų60.347%0.46833%0.332SS..Hα-helixtrans-65.6-28.4176.8-67-172.7-70.600113.3Y182 A317 G318 F319 T323 A324Y182-M321 HydrophobicContact CD1-CG 4.03Å; Y182-M321 HydrophobicContact CG-CG 4.32Å; A317-M321 PolarHBondContact O-N 3.34Å; G318-M321 WeakPolarHBondContact O-CB 3.33Å; G318-M321 PolarHBondContact O-N 3.21Å; G318-M321 VanDerWaalsContact O-N 3.15Å; F319-M321 VanDerWaalsContact C-N 3.34Å; F319-M321 PolarHBondContact O-N 3.5Å; M321-T323 PolarHBondContact O-N 2.88Å; M321-T323 VanDerWaalsContact O-N 3.13Å; M321-A324 PolarHBondContact O-N 3.25Å
322L90.2Very high85.3Confident89 Ų8965.2 Ų65.247%0.46635%0.349SS..THydrogen-bonded Turntrans-64.2-14.4175-64.5176.7000113.3G318 F319 G320 A324 P325 I326G318-L322 PolarHBondContact O-N 2.9Å; F319-L322 HydrophobicContact CD1-CD1 4Å; F319-L322 WeakPolarHBondContact O-CB 3.36Å; F319-L322 PolarHBondContact O-N 3.26Å; G320-L322 VanDerWaalsContact C-N 3.29Å; G320-L322 PolarHBondContact O-N 2.93Å; L322-A324 PolarHBondContact O-N 3.24Å; L322-P325 WeakPolarHBondContact O-CD 3.42Å; L322-P325 VanDerWaalsContact O-CG 3.26Å; L322-P325 WeakPolarHBondContact O-CG 3.5Å; L322-I326 HydrophobicContact CB-CD1 4.35Å; L322-I326 WeakPolarHBondContact O-CD1 3.39Å; L322-I326 WeakPolarHBondContact O-CG1 3.31Å; L322-I326 PolarHBondContact O-N 3.35Å
323T87.2Confident83.8Confident7 Ų771.8 Ų71.84%0.04338%0.375CS..Hα-helixtrans-57.2-35.4173-52.70000111.9G320 M321 I326 M327 F342G320-T323 WeakPolarHBondContact O-CB 3.24Å; G320-T323 PolarHBondContact O-N 3.33Å; G320-T323 VanDerWaalsContact O-N 3.16Å; G320-T323 PolarHBondContact O-OG1 2.91Å; M321-T323 PolarHBondContact O-N 2.88Å; M321-T323 VanDerWaalsContact O-N 3.13Å; T323-I326 PolarHBondContact O-N 3.3Å; T323-M327 HydrophobicContact CG2-CE 4.49Å; T323-M327 VanDerWaalsContact O-CB 3.25Å; T323-M327 WeakPolarHBondContact O-CB 3.34Å; T323-M327 PolarHBondContact O-N 3.21Å; T323-F342 HydrophobicContact CG2-CD2 4.32Å; T323-F342 HydrophobicContact CG2-CE2 3.48Å; T323-F342 VanDerWaalsContact CG2-CE2 3.48Å; T323-F342 HydrophobicContact CG2-CZ 4.05Å; T323-F342 WeakPolarHBondContact OG1-CZ 3.42Å
324A84.6Confident82.7Confident33 Ų3372.2 Ų72.227%0.27338%0.379SS..Hα-helixtrans-60.5-57.9-179.600000113.2H186 M321 L322 I326 M327 E328H186-A324 HydrophobicContact CB-CB 4.16Å; M321-A324 PolarHBondContact O-N 3.25Å; L322-A324 PolarHBondContact O-N 3.24Å; A324-I326 VanDerWaalsContact C-N 3.33Å; A324-I326 PolarHBondContact O-N 3.44Å; A324-M327 PolarHBondContact O-N 3.39Å; A324-E328 PolarHBondContact O-N 3.03Å
325P86.9Confident82Confident74 Ų7471.3 Ų71.348%0.48137%0.372SS..Hα-helixtrans-65.2-32.917824-34.3000113.3L322 M327 E328 L329L322-P325 WeakPolarHBondContact O-CD 3.42Å; L322-P325 VanDerWaalsContact O-CG 3.26Å; L322-P325 WeakPolarHBondContact O-CG 3.5Å; P325-M327 VanDerWaalsContact C-N 3.3Å; P325-M327 PolarHBondContact O-N 3.23Å; P325-E328 PolarHBondContact O-N 3.28Å; P325-L329 PolarHBondContact O-N 3.38Å
326I84.8Confident81.5Confident79 Ų7973.7 Ų73.741%0.40537%0.374SS..Hα-helixtrans-62.3-40.9176.5-68167.4000111L322 T323 A324 E328 L329 H330L322-I326 HydrophobicContact CB-CD1 4.35Å; L322-I326 WeakPolarHBondContact O-CD1 3.39Å; L322-I326 WeakPolarHBondContact O-CG1 3.31Å; L322-I326 PolarHBondContact O-N 3.35Å; T323-I326 PolarHBondContact O-N 3.3Å; A324-I326 VanDerWaalsContact C-N 3.33Å; A324-I326 PolarHBondContact O-N 3.44Å; I326-E328 VanDerWaalsContact C-N 3.33Å; I326-L329 PolarHBondContact O-N 3.01Å; I326-H330 PolarHBondContact O-N 3.35Å
327M78.4Confident81Confident5 Ų578.1 Ų78.13%0.02540%0.395CS..Hα-helixtrans-71.1-29.7-179.3-165.6147.257.400112.7C187 R190 T323 A324 P325 Y335 H338C187-M327 HydrophobicContact CB-CE 4.48Å; R190-M327 HydrophobicContact CB-CE 4.12Å; T323-M327 HydrophobicContact CG2-CE 4.49Å; T323-M327 VanDerWaalsContact O-CB 3.25Å; T323-M327 WeakPolarHBondContact O-CB 3.34Å; T323-M327 PolarHBondContact O-N 3.21Å; A324-M327 PolarHBondContact O-N 3.39Å; P325-M327 VanDerWaalsContact C-N 3.3Å; P325-M327 PolarHBondContact O-N 3.23Å; M327-Y335 HydrophobicContact CE-CD2 4.49Å; M327-Y335 HydrophobicContact CG-CD2 4.15Å; M327-Y335 HydrophobicContact SD-CD2 3.45Å; M327-Y335 WeakPolarHBondContact SD-CD2 3.36Å; M327-Y335 HydrophobicContact SD-CE2 3.94Å; M327-H338 HydrophobicContact SD-CB 4.37Å
328E77.7Confident80.7Confident122 Ų12279.8 Ų79.857%0.5740%0.402SS*.Hα-helixtrans-71.8-42.9172.8-16657.5-148.500111.8R190 A324 P325 I326 H330 N331R190-E328 IonicContact CZ-OE2 2.68Å; R190-E328 VanDerWaalsContact CZ-OE2 3.29Å; R190-E328 IonicContact NH1-OE2 2.84Å; R190-E328 PolarHBondContact NH1-OE2 3.01Å; R190-E328 IonicContact NH2-OE2 3.87Å; R190-E328 PolarHBondContact NH2-OE2 3.32Å; A324-E328 PolarHBondContact O-N 3.03Å; P325-E328 PolarHBondContact O-N 3.28Å; I326-E328 VanDerWaalsContact C-N 3.33Å; E328-H330 VanDerWaalsContact C-N 3.28Å; E328-H330 PolarHBondContact O-N 2.96Å; E328-N331 PolarHBondContact O-N 3.05Å
329L79.5Confident80.6Confident149 Ų14978.6 Ų78.678%0.7839%0.391SS*.Hα-helixtrans-63.7-32.3-179.5-169.566.1000113P325 I326 N331P325-L329 PolarHBondContact O-N 3.38Å; I326-L329 PolarHBondContact O-N 3.01Å; L329-N331 PolarHBondContact O-N 3.46Å
330H70Confident80.5Confident111 Ų11174 Ų7451%0.51437%0.374SS..THydrogen-bonded Turntrans-80.312.5-177.9-99.288.1000115.4I326 E328 Q332 K333I326-H330 PolarHBondContact O-N 3.35Å; E328-H330 VanDerWaalsContact C-N 3.28Å; E328-H330 PolarHBondContact O-N 2.96Å; H330-Q332 PolarHBondContact O-N 3.29Å; H330-K333 PolarHBondContact O-N 3.27Å
331N62.7Low80.6Confident129 Ų12978 Ų7869%0.6939%0.394SS*.THydrogen-bonded Turntrans37.163.5171.2-157.79.1000114E328 L329 K333E328-N331 PolarHBondContact O-N 3.05Å; L329-N331 PolarHBondContact O-N 3.46Å; N331-K333 PolarHBondContact O-N 2.9Å
332Q58.1Low80.6Confident125 Ų12574.7 Ų74.758%0.58438%0.377SS*.THydrogen-bonded Turntrans66.6-32.1175.8-55.8-167.3-9.500118H330 G334 Y335H330-Q332 PolarHBondContact O-N 3.29Å; Q332-G334 VanDerWaalsContact C-N 3.25Å; Q332-G334 PolarHBondContact O-N 2.67Å; Q332-Y335 PolarHBondContact O-N 3.18Å
333K62.6Low80.7Confident205 Ų20570.6 Ų70.689%0.89136%0.356SS*.THydrogen-bonded Turntrans-64.5-27.5-175.2-68.3-177.2-178.2178.10113.7H330 N331H330-K333 PolarHBondContact O-N 3.27Å; N331-K333 PolarHBondContact O-N 2.9Å
334G70.1Confident81.1Confident9 Ų973.6 Ų73.69%0.09338%0.377CS..THydrogen-bonded Turntrans-86.1-10.7-179.800000115.5Q332 F336 L337 H338Q332-G334 VanDerWaalsContact C-N 3.25Å; Q332-G334 PolarHBondContact O-N 2.67Å; G334-F336 PolarHBondContact O-N 3.15Å; G334-L337 PolarHBondContact O-N 3.3Å; G334-H338 PolarHBondContact O-N 3.36Å; G334-H338 PolarHBondContact O-ND1 3.12Å
335Y80.3Confident81.5Confident34 Ų3473.9 Ų73.913%0.13338%0.377CS..Hα-helixtrans-59.9-49.8-169.6171.6-99.4000112.9C187 R190 S191 L252 M327 Q332 L337 H338 H339C187-Y335 PolarHBondContact O-OH 3.41Å; R190-Y335 HydrophobicContact CB-CE2 4.27Å; R190-Y335 HydrophobicContact CG-CE2 4.41Å; S191-Y335 PolarHBondContact OG-OH 2.93Å; L252-Y335 HydrophobicContact CD1-CE1 3.83Å; L252-Y335 HydrophobicContact CD2-CE1 4.46Å; M327-Y335 HydrophobicContact CE-CD2 4.49Å; M327-Y335 HydrophobicContact CG-CD2 4.15Å; M327-Y335 HydrophobicContact SD-CD2 3.45Å; M327-Y335 WeakPolarHBondContact SD-CD2 3.36Å; M327-Y335 HydrophobicContact SD-CE2 3.94Å; Q332-Y335 PolarHBondContact O-N 3.18Å; Y335-L337 VanDerWaalsContact C-N 3.31Å; Y335-L337 PolarHBondContact O-N 3.1Å; Y335-H338 PolarHBondContact O-N 2.94Å; Y335-H339 PolarHBondContact O-N 3.18Å
336F83.3Confident81.8Confident99 Ų9970.4 Ų70.443%0.43435%0.354SS..Hα-helixtrans-58.9-44.6-179.5179.9-99.1000111.3L249 G334 H339 V340L249-F336 HydrophobicContact CD1-CD2 3.79Å; L249-F336 HydrophobicContact CD1-CE2 3.39Å; L249-F336 HydrophobicContact CD1-CZ 4.04Å; L249-F336 HydrophobicContact CG-CE2 4.23Å; G334-F336 PolarHBondContact O-N 3.15Å; F336-H339 PolarHBondContact O-N 3.36Å; F336-V340 HydrophobicContact CD1-CG2 4.17Å; F336-V340 HydrophobicContact CE1-CG2 3.85Å; F336-V340 HydrophobicContact CE2-CG2 4.43Å; F336-V340 HydrophobicContact CZ-CG2 3.99Å; F336-V340 VanDerWaalsContact O-CG2 3.23Å; F336-V340 WeakPolarHBondContact O-CG2 3.41Å; F336-V340 PolarHBondContact O-N 3.13Å
337L84.9Confident82.3Confident107 Ų10770.2 Ų70.256%0.5635%0.353SS*.Hα-helixtrans-63.7-44.4179.6-175.863.8000112G334 Y335 H339 V340 I341G334-L337 PolarHBondContact O-N 3.3Å; Y335-L337 VanDerWaalsContact C-N 3.31Å; Y335-L337 PolarHBondContact O-N 3.1Å; L337-H339 VanDerWaalsContact C-N 3.34Å; L337-H339 PolarHBondContact O-N 3.46Å; L337-V340 PolarHBondContact O-N 3.22Å; L337-I341 HydrophobicContact CD1-CD1 4.33Å; L337-I341 HydrophobicContact CG-CD1 3.98Å; L337-I341 VanDerWaalsContact O-CG1 3.28Å; L337-I341 WeakPolarHBondContact O-CG1 3.39Å; L337-I341 PolarHBondContact O-N 2.84Å
338H87.6Confident83Confident39 Ų3975.1 Ų75.118%0.18138%0.379CS..Hα-helixtrans-61.3-43.9177.3-75.575.4000111.3M327 G334 Y335 V340 I341 F342M327-H338 HydrophobicContact SD-CB 4.37Å; G334-H338 PolarHBondContact O-N 3.36Å; G334-H338 PolarHBondContact O-ND1 3.12Å; Y335-H338 PolarHBondContact O-N 2.94Å; H338-V340 PolarHBondContact O-N 2.8Å; H338-I341 PolarHBondContact O-N 3.25Å; H338-F342 VanDerWaalsContact O-CD2 3.23Å; H338-F342 WeakPolarHBondContact O-CD2 3.43Å; H338-F342 PolarHBondContact O-N 3.39Å
339H88.8Confident83.7Confident0 Ų069.4 Ų69.40%035%0.352CS..Hα-helixtrans-62.6-42.2178.1-15999.2000112C187 Y335 F336 L337 F342 A343C187-H339 WeakPolarHBondContact CB-ND1 3.19Å; Y335-H339 PolarHBondContact O-N 3.18Å; F336-H339 PolarHBondContact O-N 3.36Å; L337-H339 VanDerWaalsContact C-N 3.34Å; L337-H339 PolarHBondContact O-N 3.46Å; H339-F342 PolarHBondContact O-N 2.86Å; H339-A343 VanDerWaalsContact O-CB 3.32Å; H339-A343 WeakPolarHBondContact O-CB 3.38Å; H339-A343 PolarHBondContact O-N 2.93Å
340V91.1Very high84.3Confident42 Ų4263.8 Ų63.826%0.25532%0.323SS..Hα-helixtrans-60.5-47175.9173.30000111.1L249 F336 L337 H338 F342 A343 C344L249-V340 HydrophobicContact CD1-CG2 3.69Å; L249-V340 HydrophobicContact CD2-CG2 3.83Å; L249-V340 HydrophobicContact CG-CG2 4.39Å; F336-V340 HydrophobicContact CD1-CG2 4.17Å; F336-V340 HydrophobicContact CE1-CG2 3.85Å; F336-V340 HydrophobicContact CE2-CG2 4.43Å; F336-V340 HydrophobicContact CZ-CG2 3.99Å; F336-V340 VanDerWaalsContact O-CG2 3.23Å; F336-V340 WeakPolarHBondContact O-CG2 3.41Å; F336-V340 PolarHBondContact O-N 3.13Å; L337-V340 PolarHBondContact O-N 3.22Å; H338-V340 PolarHBondContact O-N 2.8Å; V340-F342 PolarHBondContact O-N 3.27Å; V340-A343 PolarHBondContact O-N 3.2Å; V340-C344 PolarHBondContact O-N 3.28Å; V340-C344 PolarHBondContact O-SG 2.94Å; V340-C344 VanDerWaalsContact O-SG 3.36Å
341I92.4Very high85.3Confident85 Ų8563.5 Ų63.544%0.43632%0.324SS..Hα-helixtrans-59.2-50.3-179.9-68.2164.6000110.1L337 H338 A343 C344 C345L337-I341 HydrophobicContact CD1-CD1 4.33Å; L337-I341 HydrophobicContact CG-CD1 3.98Å; L337-I341 VanDerWaalsContact O-CG1 3.28Å; L337-I341 WeakPolarHBondContact O-CG1 3.39Å; L337-I341 PolarHBondContact O-N 2.84Å; H338-I341 PolarHBondContact O-N 3.25Å; I341-A343 PolarHBondContact O-N 3.06Å; I341-C344 PolarHBondContact O-N 2.85Å; I341-C345 PolarHBondContact O-N 2.91Å; I341-C345 PolarHBondContact O-SG 3.45Å
342F92.3Very high86.5Confident25 Ų2559.6 Ų59.611%0.1131%0.307CS..Hα-helixtrans-66.6-35.4179.6-77.3-67.1000112.8T180 I184 T323 H338 H339 V340 C345 T346T180-F342 HydrophobicContact CG2-CD1 4.39Å; I184-F342 HydrophobicContact CB-CB 4.11Å; I184-F342 HydrophobicContact CD1-CB 4.29Å; I184-F342 HydrophobicContact CG1-CB 4.11Å; T323-F342 HydrophobicContact CG2-CD2 4.32Å; T323-F342 HydrophobicContact CG2-CE2 3.48Å; T323-F342 VanDerWaalsContact CG2-CE2 3.48Å; T323-F342 HydrophobicContact CG2-CZ 4.05Å; T323-F342 WeakPolarHBondContact OG1-CZ 3.42Å; H338-F342 VanDerWaalsContact O-CD2 3.23Å; H338-F342 WeakPolarHBondContact O-CD2 3.43Å; H338-F342 PolarHBondContact O-N 3.39Å; H339-F342 PolarHBondContact O-N 2.86Å; V340-F342 PolarHBondContact O-N 3.27Å; F342-C345 WeakPolarHBondContact O-CB 3.33Å; F342-C345 PolarHBondContact O-N 2.9Å; F342-T346 WeakPolarHBondContact O-CG2 3.41Å; F342-T346 PolarHBondContact O-N 3.03Å
343A92.5Very high87.9Confident3 Ų353.8 Ų53.83%0.02528%0.279CS..Hα-helixtrans-61-46.9173.300000111.3H339 V340 I341 C345 T346 L347H339-A343 VanDerWaalsContact O-CB 3.32Å; H339-A343 WeakPolarHBondContact O-CB 3.38Å; H339-A343 PolarHBondContact O-N 2.93Å; V340-A343 PolarHBondContact O-N 3.2Å; I341-A343 PolarHBondContact O-N 3.06Å; A343-C345 VanDerWaalsContact C-N 3.33Å; A343-C345 PolarHBondContact O-N 3.37Å; A343-T346 PolarHBondContact O-N 3.18Å; A343-T346 VanDerWaalsContact O-N 3.15Å; A343-T346 PolarHBondContact O-OG1 3.41Å; A343-L347 PolarHBondContact O-N 2.81Å
344C93.9Very high89Confident70 Ų7048.3 Ų48.347%0.47326%0.259SS..Hα-helixtrans-60-42.5173.8-67.30000112V340 I341 T346 L347 L348V340-C344 PolarHBondContact O-N 3.28Å; V340-C344 PolarHBondContact O-SG 2.94Å; V340-C344 VanDerWaalsContact O-SG 3.36Å; I341-C344 PolarHBondContact O-N 2.85Å; C344-T346 VanDerWaalsContact C-N 3.33Å; C344-T346 PolarHBondContact O-N 3.25Å; C344-L347 PolarHBondContact O-N 3.38Å; C344-L348 PolarHBondContact O-N 2.75Å; C344-L348 VanDerWaalsContact O-N 3.09Å
345C93.6Very high89.4Confident40 Ų4051.9 Ų51.927%0.2728%0.276SS..Hα-helixtrans-60.9-39174.9-69.60000112.2T180 I341 F342 A343 L347 L348 C349T180-C345 HydrophobicContact CG2-CB 3.72Å; I341-C345 PolarHBondContact O-N 2.91Å; I341-C345 PolarHBondContact O-SG 3.45Å; F342-C345 WeakPolarHBondContact O-CB 3.33Å; F342-C345 PolarHBondContact O-N 2.9Å; A343-C345 VanDerWaalsContact C-N 3.33Å; A343-C345 PolarHBondContact O-N 3.37Å; C345-L347 VanDerWaalsContact C-N 3.34Å; C345-L347 PolarHBondContact O-N 3.31Å; C345-L348 PolarHBondContact O-N 3.17Å; C345-C349 WeakPolarHBondContact O-CB 3.38Å; C345-C349 PolarHBondContact O-N 3.17Å; C345-C349 PolarHBondContact O-SG 3.27Å
346T93.7Very high89.3Confident1 Ų150.3 Ų50.31%0.00627%0.27CS..Hα-helixtrans-63.7-39.7176.861.30000112.1T180 I184 T241 F342 A343 C344 C349 I350T180-T346 HydrophobicContact CG2-CG2 3.4Å; I184-T346 HydrophobicContact CD1-CG2 3.66Å; I184-T346 HydrophobicContact CG2-CG2 4.45Å; T241-T346 HydrophobicContact CG2-CG2 4.36Å; F342-T346 WeakPolarHBondContact O-CG2 3.41Å; F342-T346 PolarHBondContact O-N 3.03Å; A343-T346 PolarHBondContact O-N 3.18Å; A343-T346 VanDerWaalsContact O-N 3.15Å; A343-T346 PolarHBondContact O-OG1 3.41Å; C344-T346 VanDerWaalsContact C-N 3.33Å; C344-T346 PolarHBondContact O-N 3.25Å; T346-C349 WeakPolarHBondContact O-CB 3.34Å; T346-C349 PolarHBondContact O-N 2.82Å; T346-I350 WeakPolarHBondContact O-CG1 3.26Å; T346-I350 PolarHBondContact O-N 3.11Å
347L93.9Very high88.9Confident75 Ų7545.9 Ų45.939%0.39325%0.251SS..Hα-helixtrans-63.7-42.6176.2-66.2174.6000111.6A242 L246 A343 C344 C345 C349 I350 I351A242-L347 HydrophobicContact CB-CD2 4.11Å; L246-L347 HydrophobicContact CD1-CD2 4.45Å; A343-L347 PolarHBondContact O-N 2.81Å; C344-L347 PolarHBondContact O-N 3.38Å; C345-L347 VanDerWaalsContact C-N 3.34Å; C345-L347 PolarHBondContact O-N 3.31Å; L347-C349 VanDerWaalsContact C-N 3.34Å; L347-I350 HydrophobicContact CD2-CD1 4.39Å; L347-I350 PolarHBondContact O-N 2.95Å; L347-I351 PolarHBondContact O-N 3.12Å
348L93.3Very high88.3Confident108 Ų10844 Ų4457%0.56524%0.239SC*.Hα-helixtrans-63.8-40173.7-68.8173.3000111.7C344 C345 I350 I351 C352C344-L348 PolarHBondContact O-N 2.75Å; C344-L348 VanDerWaalsContact O-N 3.09Å; C345-L348 PolarHBondContact O-N 3.17Å; L348-I350 VanDerWaalsContact C-N 3.31Å; L348-I350 PolarHBondContact O-N 2.97Å; L348-I351 WeakPolarHBondContact O-CB 3.31Å; L348-I351 PolarHBondContact O-N 2.99Å; L348-C352 PolarHBondContact O-N 2.95Å; L348-C352 PolarHBondContact O-SG 3.49Å
349C92.9Very high87.1Confident1 Ų142.3 Ų42.31%0.00723%0.232CC..Hα-helixtrans-61-38.9176.9-68.40000111.9M238 C345 T346 L347 I351 C352 L353M238-C349 HydrophobicContact CE-CB 3.57Å; M238-C349 VanDerWaalsContact SD-C 3.58Å; M238-C349 HydrophobicContact SD-CB 3.21Å; M238-C349 WeakPolarHBondContact SD-CB 3.38Å; C345-C349 WeakPolarHBondContact O-CB 3.38Å; C345-C349 PolarHBondContact O-N 3.17Å; C345-C349 PolarHBondContact O-SG 3.27Å; T346-C349 WeakPolarHBondContact O-CB 3.34Å; T346-C349 PolarHBondContact O-N 2.82Å; L347-C349 VanDerWaalsContact C-N 3.34Å; C349-I351 VanDerWaalsContact C-N 3.29Å; C349-I351 PolarHBondContact O-N 2.63Å; C349-C352 CarbonylContact O-C 3.6Å; C349-C352 PolarHBondContact O-N 3.41Å; C349-C352 VanDerWaalsContact O-N 3.13Å; C349-L353 WeakPolarHBondContact O-CB 3.38Å; C349-L353 VanDerWaalsContact O-CG 3.29Å; C349-L353 WeakPolarHBondContact O-CG 3.23Å; C349-L353 PolarHBondContact O-N 2.92Å
350I93.1Very high85.7Confident32 Ų3249.2 Ų49.216%0.16426%0.258CS..Hα-helixtrans-55.8-46.9175.3-67.4167.9000110.4M238 I239 A242 T346 L347 L348 L353 L354M238-I350 HydrophobicContact CB-CG1 4.45Å; M238-I350 HydrophobicContact CG-CD1 4.39Å; M238-I350 HydrophobicContact CG-CG1 3.56Å; M238-I350 HydrophobicContact SD-CG1 4.04Å; I239-I350 HydrophobicContact CG1-CD1 4.04Å; I239-I350 HydrophobicContact CG1-CG1 4.38Å; I239-I350 HydrophobicContact CG1-CG2 4.44Å; A242-I350 HydrophobicContact CB-CD1 3.77Å; T346-I350 WeakPolarHBondContact O-CG1 3.26Å; T346-I350 PolarHBondContact O-N 3.11Å; L347-I350 HydrophobicContact CD2-CD1 4.39Å; L347-I350 PolarHBondContact O-N 2.95Å; L348-I350 VanDerWaalsContact C-N 3.31Å; L348-I350 PolarHBondContact O-N 2.97Å; I350-L353 PolarHBondContact O-N 3.42Å; I350-L354 PolarHBondContact O-N 2.9Å
351I91.1Very high84Confident104 Ų10450.6 Ų50.653%0.53328%0.281SS..Hα-helixtrans-62.2-47.7178.1-59171.3000109.4L347 L348 C349 L353 L354 L355L347-I351 PolarHBondContact O-N 3.12Å; L348-I351 WeakPolarHBondContact O-CB 3.31Å; L348-I351 PolarHBondContact O-N 2.99Å; C349-I351 VanDerWaalsContact C-N 3.29Å; C349-I351 PolarHBondContact O-N 2.63Å; I351-L353 VanDerWaalsContact C-N 3.33Å; I351-L353 PolarHBondContact O-N 3.45Å; I351-L354 WeakPolarHBondContact O-CB 3.36Å; I351-L354 PolarHBondContact O-N 3.43Å; I351-L354 VanDerWaalsContact O-N 3.15Å; I351-L355 VanDerWaalsContact O-CD1 3.26Å; I351-L355 WeakPolarHBondContact O-CD1 3.08Å
352C88Confident82.5Confident48 Ų4849.6 Ų49.632%0.32427%0.274SS..Hα-helixtrans-61-37.2179.3-65.10000113.4V173 L348 C349 L354 L355 L356V173-C352 HydrophobicContact CB-CB 4.44Å; V173-C352 HydrophobicContact CG1-CB 3.63Å; V173-C352 HydrophobicContact CG2-CB 4Å; L348-C352 PolarHBondContact O-N 2.95Å; L348-C352 PolarHBondContact O-SG 3.49Å; C349-C352 CarbonylContact O-C 3.6Å; C349-C352 PolarHBondContact O-N 3.41Å; C349-C352 VanDerWaalsContact O-N 3.13Å; C352-L354 PolarHBondContact O-N 3.21Å; C352-L355 WeakPolarHBondContact O-CB 3.47Å; C352-L355 PolarHBondContact O-N 3.43Å; C352-L355 VanDerWaalsContact O-N 3.09Å; C352-L356 WeakPolarHBondContact O-CD1 3.36Å
353L87.5Confident80.8Confident3 Ų352.8 Ų52.82%0.01630%0.298CS..Hα-helixtrans-65-26.6177.5-73.4-178000112.9V173 L234 M238 C349 I350 I351 L355 L356V173-L353 HydrophobicContact CG1-CD2 4.35Å; L234-L353 HydrophobicContact CD2-CD1 4.31Å; L234-L353 HydrophobicContact CD2-CD2 3.47Å; L234-L353 VanDerWaalsContact CD2-CD2 3.47Å; L234-L353 HydrophobicContact CG-CD1 3.88Å; L234-L353 HydrophobicContact CG-CD2 4Å; M238-L353 HydrophobicContact CB-CD1 4.04Å; M238-L353 HydrophobicContact CE-CD1 4.35Å; M238-L353 HydrophobicContact CG-CD1 4.29Å; M238-L353 HydrophobicContact SD-CD1 3.39Å; M238-L353 WeakPolarHBondContact SD-CD1 3.4Å; M238-L353 HydrophobicContact SD-CG 4.18Å; C349-L353 WeakPolarHBondContact O-CB 3.38Å; C349-L353 VanDerWaalsContact O-CG 3.29Å; C349-L353 WeakPolarHBondContact O-CG 3.23Å; C349-L353 PolarHBondContact O-N 2.92Å; I350-L353 PolarHBondContact O-N 3.42Å; I351-L353 VanDerWaalsContact C-N 3.33Å; I351-L353 PolarHBondContact O-N 3.45Å; L353-L355 PolarHBondContact O-N 3Å; L353-L356 HydrophobicContact CD2-CD2 4.02Å; L353-L356 PolarHBondContact O-N 2.91Å; L353-L356 VanDerWaalsContact O-N 3.16Å
354L83.7Confident79.4Confident89 Ų8953.3 Ų53.347%0.46630%0.3SS..Hα-helixtrans-65.2-22.8174.3-66.1171.6000112.7R231 L235 I350 I351 C352 L356R231-L354 PolarHBondContact NH2-O 2.94Å; L235-L354 HydrophobicContact CD1-CD2 3.46Å; L235-L354 VanDerWaalsContact CD1-CD2 3.46Å; L235-L354 HydrophobicContact CD1-CG 4.2Å; I350-L354 PolarHBondContact O-N 2.9Å; I351-L354 WeakPolarHBondContact O-CB 3.36Å; I351-L354 PolarHBondContact O-N 3.43Å; I351-L354 VanDerWaalsContact O-N 3.15Å; C352-L354 PolarHBondContact O-N 3.21Å; L354-L356 VanDerWaalsContact C-N 3.34Å
355L79.9Confident78.1Confident84 Ų8450.4 Ų50.444%0.4428%0.28SS..THydrogen-bonded Turntrans-81.6-9.2176.8-67.799.3000113.6I351 C352 L353I351-L355 VanDerWaalsContact O-CD1 3.26Å; I351-L355 WeakPolarHBondContact O-CD1 3.08Å; C352-L355 WeakPolarHBondContact O-CB 3.47Å; C352-L355 PolarHBondContact O-N 3.43Å; C352-L355 VanDerWaalsContact O-N 3.09Å; L353-L355 PolarHBondContact O-N 3Å
356L78.8Confident76.6Confident1 Ų152.5 Ų52.51%0.00529%0.286CS..SBendtrans-79.6133.7-175.9-94.764.4000112.3V173 L174 R231 F296 C352 L353 L354V173-L356 HydrophobicContact CB-CD1 3.75Å; V173-L356 HydrophobicContact CG1-CD1 3.36Å; V173-L356 HydrophobicContact CG1-CD2 4.46Å; V173-L356 HydrophobicContact CG2-CD1 4.18Å; L174-L356 HydrophobicContact CD2-CD2 3.77Å; L174-L356 HydrophobicContact CG-CD2 4.1Å; R231-L356 WeakPolarHBondContact CD-O 3.22Å; R231-L356 VanDerWaalsContact CZ-O 3.31Å; R231-L356 PolarHBondContact NH1-O 3.32Å; F296-L356 HydrophobicContact CD1-CD2 3.97Å; F296-L356 HydrophobicContact CE1-CB 4.25Å; F296-L356 HydrophobicContact CE1-CD2 3.27Å; F296-L356 HydrophobicContact CE1-CG 3.97Å; F296-L356 HydrophobicContact CZ-CB 4.11Å; F296-L356 HydrophobicContact CZ-CD2 3.82Å; F296-L356 HydrophobicContact CZ-CG 4.34Å; C352-L356 WeakPolarHBondContact O-CD1 3.36Å; L353-L356 HydrophobicContact CD2-CD2 4.02Å; L353-L356 PolarHBondContact O-N 2.91Å; L353-L356 VanDerWaalsContact O-N 3.16Å; L354-L356 VanDerWaalsContact C-N 3.34Å
357P73.1Confident75.2Confident6 Ų654.2 Ų54.24%0.03930%0.298CS..PPolyproline II helixtrans-65.4150.1170.224.2-30.9000112.2F296 I300 P359 F374F296-P357 VanDerWaalsContact CZ-O 3.28Å; F296-P357 WeakPolarHBondContact CZ-O 3.47Å; I300-P357 HydrophobicContact CD1-CG 4.43Å; P357-P359 WeakPolarHBondContact O-CD 3.45Å; P357-F374 HydrophobicContact CB-CD1 3.99Å; P357-F374 HydrophobicContact CB-CE1 3.81Å; P357-F374 HydrophobicContact CG-CD1 3.43Å; P357-F374 VanDerWaalsContact CG-CD1 3.43Å; P357-F374 HydrophobicContact CG-CE1 3.45Å; P357-F374 VanDerWaalsContact CG-CE1 3.45Å
358E72.9Confident73.7Confident67 Ų6752.3 Ų52.331%0.31329%0.288SS..PPolyproline II helixtrans-80.7123.1174.2-179.172.6-130.800110R230 R231 R360R230-E358 PolarHBondContact N-OE1 2.93Å; R231-E358 WeakPolarHBondContact CB-OE2 3.37Å; R231-E358 PolarHBondContact N-OE1 2.7Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 HydrophobicContact CG-CB 3.78Å; E358-R360 PolarHBondContact O-N 3.17Å
359P62.8Low72Confident5 Ų550 Ų503%0.03228%0.284CS..  trans-86.44.1-179.732.2-32.7000114.7R230 F296 P357 G361 F374R230-P359 HydrophobicContact CB-CG 4.13Å; R230-P359 PolarHBondContact NH1-O 2.9Å; F296-P359 HydrophobicContact CD2-CG 3.78Å; F296-P359 HydrophobicContact CE2-CG 3.43Å; F296-P359 VanDerWaalsContact CE2-CG 3.43Å; F296-P359 HydrophobicContact CZ-CG 4.02Å; P357-P359 WeakPolarHBondContact O-CD 3.45Å; P359-G361 PolarHBondContact O-N 3.2Å; P359-F374 HydrophobicContact CB-CZ 3.96Å
360R59.6Low70.4Confident144 Ų14453 Ų5354%0.54330%0.3SS..THydrogen-bonded Turntrans-65.3125.2-176.3-168.2175.9-176.2152.15.6110.9G226 E358 Q362G226-R360 PolarHBondContact O-NH2 3.14Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 HydrophobicContact CG-CB 3.78Å; E358-R360 PolarHBondContact O-N 3.17Å; R360-Q362 VanDerWaalsContact C-N 3.35Å; R360-Q362 PolarHBondContact O-N 2.76Å
361G55.7Low68.8Low71 Ų7151.6 Ų51.673%0.73229%0.293SS*.THydrogen-bonded Turntrans82.6-0.1172.500000116.1P359P359-G361 PolarHBondContact O-N 3.2Å
362Q59.3Low67.4Low65 Ų6551 Ų5130%0.30429%0.288SS..PPolyproline II helixtrans-95.3145.3-179.9-60.6-166.26.300112.1R360 F374R360-Q362 VanDerWaalsContact C-N 3.35Å; R360-Q362 PolarHBondContact O-N 2.76Å; Q362-F374 HydrophobicContact CB-CE2 4.39Å
363P58.1Low66.1Low92 Ų9253.8 Ų53.860%0.59730%0.304SS*.PPolyproline II helixtrans-62.8159.7171.827.8-33.7000110.8
364L61.8Low64.8Low14 Ų1454.6 Ų54.67%0.07331%0.307CS..PPolyproline II helixtrans-65.7136.1175.1-76.1164.4000108.6R48 E299 E366R48-L364 VanDerWaalsContact NH1-CG 3.34Å; E299-L364 HydrophobicContact CB-CD2 4.48Å; L364-E366 PolarHBondContact O-N 3.33Å
365P67.3Low63.6Low8 Ų854.1 Ų54.15%0.05231%0.308CS..PPolyproline II helixtrans-62131.817023.4-27.2000108.9E299 I300 P302 T303 D370E299-P365 VanDerWaalsContact O-CD 3.24Å; E299-P365 WeakPolarHBondContact O-CD 3.29Å; I300-P365 VanDerWaalsContact O-CG 3.3Å; I300-P365 WeakPolarHBondContact O-CG 3.29Å; P302-P365 WeakPolarHBondContact CA-O 3.41Å; P302-P365 HydrophobicContact CB-CB 4.09Å; P302-P365 HydrophobicContact CB-CG 4.42Å; T303-P365 PolarHBondContact N-O 2.64Å; P365-D370 HydrophobicContact CB-CB 3.82Å
366E61.3Low62.2Low85 Ų8556 Ų5640%0.39731%0.309SS..  trans-102.8-32.9179.3-60.3-163.2156.700110.4T303 L364 D370T303-E366 HydrophobicContact CG2-CG 4.47Å; T303-E366 WeakPolarHBondContact OG1-CA 3.27Å; T303-E366 PolarHBondContact OG1-O 3.41Å; L364-E366 PolarHBondContact O-N 3.33Å; E366-D370 PolarHBondContact N-OD2 2.97Å
367S65.9Low60.7Low37 Ų3763.5 Ų63.526%0.25934%0.344SS..SBendtrans-111.1162.5180940000113.3P302 A369 D370 G371P302-S367 VanDerWaalsContact CB-O 3.3Å; P302-S367 WeakPolarHBondContact CB-O 2.96Å; S367-A369 VanDerWaalsContact C-N 3.29Å; S367-A369 PolarHBondContact O-N 2.92Å; S367-A369 PolarHBondContact OG-N 3.07Å; S367-D370 PolarHBondContact N-OD2 3.45Å; S367-D370 PolarHBondContact O-N 3.22Å; S367-D370 PolarHBondContact OG-N 2.9Å; S367-D370 PolarHBondContact OG-OD1 3.49Å; S367-D370 PolarHBondContact OG-OD2 3.39Å; S367-G371 PolarHBondContact O-N 2.97Å
368L61.7Low59.1Low35 Ų3568.1 Ų68.118%0.18337%0.373CS..Hα-helixtrans-63.1-34172.6-88.4147.4000112.3K160 T164 V304 I305 G371 E372K160-L368 HydrophobicContact CB-CD1 4.49Å; T164-L368 HydrophobicContact CG2-CD2 3.91Å; V304-L368 HydrophobicContact CG2-CG 4.43Å; I305-L368 HydrophobicContact CD1-CD2 3.58Å; I305-L368 HydrophobicContact CD1-CG 4.2Å; L368-G371 PolarHBondContact O-N 3.04Å; L368-E372 PolarHBondContact O-N 3.45Å; L368-E372 VanDerWaalsContact O-N 3.15Å
369A57.6Low57.6Low58 Ų5872.5 Ų72.548%0.47940%0.398SS..Hα-helixtrans-67.5-38.4178.700000111.1S367 G371 E372 T373S367-A369 VanDerWaalsContact C-N 3.29Å; S367-A369 PolarHBondContact O-N 2.92Å; S367-A369 PolarHBondContact OG-N 3.07Å; A369-G371 VanDerWaalsContact C-N 3.28Å; A369-G371 PolarHBondContact O-N 3.32Å; A369-E372 PolarHBondContact O-N 3.5Å; A369-E372 VanDerWaalsContact O-N 3.15Å; A369-T373 PolarHBondContact O-N 3.18Å; A369-T373 PolarHBondContact O-OG1 3.34Å
370D60.2Low56.6Low66 Ų6677.2 Ų77.235%0.35342%0.422SS..Hα-helixtrans-60.2-42.9175.2-48.8-9.6000110.3P365 E366 S367 E372 T373 F374P365-D370 HydrophobicContact CB-CB 3.82Å; E366-D370 PolarHBondContact N-OD2 2.97Å; S367-D370 PolarHBondContact N-OD2 3.45Å; S367-D370 PolarHBondContact O-N 3.22Å; S367-D370 PolarHBondContact OG-N 2.9Å; S367-D370 PolarHBondContact OG-OD1 3.49Å; S367-D370 PolarHBondContact OG-OD2 3.39Å; D370-E372 VanDerWaalsContact C-N 3.31Å; D370-E372 PolarHBondContact O-N 2.91Å; D370-T373 PolarHBondContact O-N 3.02Å; D370-F374 PolarHBondContact O-N 3.5Å; D370-F374 VanDerWaalsContact O-N 3.11Å
371G59.2Low55.5Low1 Ų177.7 Ų77.71%0.0143%0.43CS..Hα-helixtrans-66.7-27.4177.800000114.2S367 L368 A369S367-G371 PolarHBondContact O-N 2.97Å; L368-G371 PolarHBondContact O-N 3.04Å; A369-G371 VanDerWaalsContact C-N 3.28Å; A369-G371 PolarHBondContact O-N 3.32Å
372E61.9Low54.8Low91 Ų9178.8 Ų78.843%0.42542%0.424SS..Hα-helixtrans-79.4-34.3176.1-175.8164.1-152.100112.6N166 L368 A369 D370 F374N166-E372 PolarHBondContact ND2-O 3Å; L368-E372 PolarHBondContact O-N 3.45Å; L368-E372 VanDerWaalsContact O-N 3.15Å; A369-E372 PolarHBondContact O-N 3.5Å; A369-E372 VanDerWaalsContact O-N 3.15Å; D370-E372 VanDerWaalsContact C-N 3.31Å; D370-E372 PolarHBondContact O-N 2.91Å; E372-F374 PolarHBondContact O-N 3.37Å
373T60Low54Low108 Ų10878.7 Ų78.766%0.66344%0.441SS*.Hα-helixtrans-75.4-17.5177.1-39.10000111.8A369 D370 T375A369-T373 PolarHBondContact O-N 3.18Å; A369-T373 PolarHBondContact O-OG1 3.34Å; D370-T373 PolarHBondContact O-N 3.02Å; T373-T375 PolarHBondContact O-N 2.9Å; T373-T375 PolarHBondContact O-OG1 3.4Å
374F60.4Low53.2Low19 Ų1979.5 Ų79.58%0.08344%0.436CS..  trans-67.176174.7-157.1-96.1000111.9I300 P357 P359 Q362 D370 E372I300-F374 HydrophobicContact CD1-CD1 4.35Å; I300-F374 HydrophobicContact CD1-CE1 3.73Å; I300-F374 HydrophobicContact CG1-CD1 4.41Å; I300-F374 HydrophobicContact CG1-CE1 3.73Å; I300-F374 HydrophobicContact CG1-CZ 4.27Å; I300-F374 HydrophobicContact CG2-CD1 4.32Å; I300-F374 HydrophobicContact CG2-CE1 4.47Å; P357-F374 HydrophobicContact CB-CD1 3.99Å; P357-F374 HydrophobicContact CB-CE1 3.81Å; P357-F374 HydrophobicContact CG-CD1 3.43Å; P357-F374 VanDerWaalsContact CG-CD1 3.43Å; P357-F374 HydrophobicContact CG-CE1 3.45Å; P357-F374 VanDerWaalsContact CG-CE1 3.45Å; P359-F374 HydrophobicContact CB-CZ 3.96Å; Q362-F374 HydrophobicContact CB-CE2 4.39Å; D370-F374 PolarHBondContact O-N 3.5Å; D370-F374 VanDerWaalsContact O-N 3.11Å; E372-F374 PolarHBondContact O-N 3.37Å
375T57.7Low52.2Low79 Ų7983.7 Ų83.749%0.48546%0.456SS..  trans-109.2158.9-179.453.90000110.7T373 Q377T373-T375 PolarHBondContact O-N 2.9Å; T373-T375 PolarHBondContact O-OG1 3.4Å; T375-Q377 PolarHBondContact O-N 3.16Å; T375-Q377 VanDerWaalsContact O-N 3.11Å
376R50.9Low50.8Low124 Ų12490 Ų9047%0.46848%0.484SS..  trans-62.5116176177.9-178.7177.9-121.13.1108.3T378R376-T378 PolarHBondContact O-N 2.96Å; R376-T378 VanDerWaalsContact O-N 3.15Å
377Q48Very low49.8Very low158 Ų15892.8 Ų92.874%0.73850%0.501SS*.  trans-64.2115.9165.3-73-179.8-12.800108T375T375-Q377 PolarHBondContact O-N 3.16Å; T375-Q377 VanDerWaalsContact O-N 3.11Å
378T38.4Very low48.6Very low104 Ų10496.1 Ų96.164%0.63852%0.515SS*.  trans-60.2135.5169.8-15.90000107.5R376 L380R376-T378 PolarHBondContact O-N 2.96Å; R376-T378 VanDerWaalsContact O-N 3.15Å; T378-L380 VanDerWaalsContact C-N 3.29Å; T378-L380 PolarHBondContact O-N 3.33Å
379L42.2Very low47.4Very low159 Ų15999.8 Ų99.883%0.83253%0.534SS*.  trans-59.591.3176-71.3166.2000109.1
380L42.4Very low46.2Very low103 Ų103101.9 Ų101.954%0.53954%0.541SS..  trans-81147170-78.2165000109.4T378T378-L380 VanDerWaalsContact C-N 3.29Å; T378-L380 PolarHBondContact O-N 3.33Å
381H36.4Very low44.8Very low154 Ų154105.2 Ų105.271%0.71355%0.553SS**  trans-51150.7-173.2-99.3-97.9000113.1G383 E384H381-G383 PolarHBondContact O-N 3.02Å; H381-E384 PolarHBondContact O-N 2.84Å; H381-E384 VanDerWaalsContact O-N 3.13Å
382P40.8Very low43.5Very low95 Ų95111.2 Ų111.262%0.61758%0.576SS**THydrogen-bonded Turntrans-55.4-19.9-176.6-23.432.1000115.3
383G41.9Very low41.9Very low63 Ų63115 Ų11565%0.64959%0.593SS**THydrogen-bonded Turntrans-75.6-24.6179.900000115.5H381H381-G383 PolarHBondContact O-N 3.02Å
384E40.8Very low40.4Very low108 Ų108120.1 Ų120.151%0.50560%0.601SS.*THydrogen-bonded Turntrans-93.6-10.7-178.8-68.1-169.5147.700113.3H381 L387 L388H381-E384 PolarHBondContact O-N 2.84Å; H381-E384 VanDerWaalsContact O-N 3.13Å; E384-L387 PolarHBondContact O-N 2.94Å; E384-L388 PolarHBondContact O-N 3.47Å
385Q41.2Very low38.9Very low102 Ų102121.2 Ų121.248%0.47761%0.607SS.*Hα-helixtrans-69.2-33.9-178.9-68.3-177.7-16.800112.7L388 L389Q385-L388 PolarHBondContact O-N 3.15Å; Q385-L389 WeakPolarHBondContact O-CB 3.39Å; Q385-L389 PolarHBondContact O-N 3.25Å
386H37.8Very low37.8Very low140 Ų140127.9 Ų127.965%0.64863%0.625SS**Hα-helixtrans-70.1-35.1178-84.2-67.4000113L388 L389 V390H386-L388 VanDerWaalsContact C-N 3.31Å; H386-L388 PolarHBondContact O-N 3.16Å; H386-L389 PolarHBondContact O-N 3.42Å; H386-V390 VanDerWaalsContact O-CG2 3.31Å; H386-V390 WeakPolarHBondContact O-CG2 3.22Å; H386-V390 PolarHBondContact O-N 3.04Å; H386-V390 VanDerWaalsContact O-N 3.1Å
387L39.5Very low36.9Very low145 Ų145124.9 Ų124.976%0.75962%0.623SS**Hα-helixtrans-69.8-30.2176.7-115.1107.5000112.3E384 K391E384-L387 PolarHBondContact O-N 2.94Å; L387-K391 PolarHBondContact O-N 3.23Å
388L41.2Very low36.2Very low106 Ų106123.9 Ų123.956%0.55561%0.613SS**Hα-helixtrans-81-35.4175.6-69.7173.5000112.7E384 Q385 H386 K391 Y392E384-L388 PolarHBondContact O-N 3.47Å; Q385-L388 PolarHBondContact O-N 3.15Å; H386-L388 VanDerWaalsContact C-N 3.31Å; H386-L388 PolarHBondContact O-N 3.16Å; L388-K391 WeakPolarHBondContact O-CB 3.29Å; L388-K391 PolarHBondContact O-N 3.05Å; L388-Y392 WeakPolarHBondContact O-CB 3.05Å; L388-Y392 PolarHBondContact O-N 3.3Å
389L36.7Very low36.2Very low112 Ų112123.7 Ų123.759%0.58661%0.611SS**Hα-helixtrans-65.5-42.1174.7-90.1160.3000112.3Q385 H386 K391 Y392 E393Q385-L389 WeakPolarHBondContact O-CB 3.39Å; Q385-L389 PolarHBondContact O-N 3.25Å; H386-L389 PolarHBondContact O-N 3.42Å; L389-K391 PolarHBondContact O-N 3.41Å; L389-Y392 PolarHBondContact O-N 2.96Å; L389-Y392 VanDerWaalsContact O-N 3.14Å; L389-E393 PolarHBondContact O-N 2.89Å
390V32.4Very low35.8Very low103 Ų103120.5 Ų120.562%0.62459%0.592SS**Hα-helixtrans-64.8-27.3173.91730000111.7H386H386-V390 VanDerWaalsContact O-CG2 3.31Å; H386-V390 WeakPolarHBondContact O-CG2 3.22Å; H386-V390 PolarHBondContact O-N 3.04Å; H386-V390 VanDerWaalsContact O-N 3.1Å
391K30.9Very low35.4Very low136 Ų136120.9 Ų120.959%0.59159%0.594SS**Hα-helixtrans-77.7-34.3173.8-153.2169.8-174.11760112.1L387 L388 L389L387-K391 PolarHBondContact O-N 3.23Å; L388-K391 WeakPolarHBondContact O-CB 3.29Å; L388-K391 PolarHBondContact O-N 3.05Å; L389-K391 PolarHBondContact O-N 3.41Å
392Y32.3Very low35.6Very low127 Ų127116.2 Ų116.250%0.49858%0.577SS.*Hα-helixtrans-78.3-31-176.5-143.3-98.5000113.5L388 L389 R394 D395L388-Y392 WeakPolarHBondContact O-CB 3.05Å; L388-Y392 PolarHBondContact O-N 3.3Å; L389-Y392 PolarHBondContact O-N 2.96Å; L389-Y392 VanDerWaalsContact O-N 3.14Å; Y392-R394 PolarHBondContact O-N 2.88Å; Y392-D395 PolarHBondContact O-N 3.25Å; Y392-D395 VanDerWaalsContact O-N 3.09Å
393E27.7Very low35.5Very low169 Ų169116.4 Ų116.479%0.7958%0.578SS**THydrogen-bonded Turntrans-68.1-18.1178.1-146.1168.7-158.500112.6L389L389-E393 PolarHBondContact O-N 2.89Å
394R28.8Very low35.4Very low217 Ų217116.6 Ų116.682%0.81956%0.564SS**THydrogen-bonded Turntrans-93.2-6.5171.8-83.4-177.4173.2172.7-1.2114.9Y392 S397Y392-R394 PolarHBondContact O-N 2.88Å; R394-S397 PolarHBondContact O-OG 3Å
395D28.8Very low35.3Very low41 Ų41116.2 Ų116.222%0.21956%0.562CS.*G310 helixtrans-97.321-167.4-96.4-24.9000114.8Y392 S397 R398Y392-D395 PolarHBondContact O-N 3.25Å; Y392-D395 VanDerWaalsContact O-N 3.09Å; D395-S397 PolarHBondContact O-N 3.18Å; D395-R398 HydrophobicContact CB-CG 4.28Å; D395-R398 PolarHBondContact O-N 3.35Å; D395-R398 WeakPolarHBondContact OD1-CG 3.49Å; D395-R398 IonicContact OD1-CZ 2.87Å; D395-R398 IonicContact OD1-NE 3.1Å; D395-R398 PolarHBondContact OD1-NE 3.35Å; D395-R398 IonicContact OD1-NH2 2.68Å; D395-R398 IonicContact OD2-CZ 3.08Å; D395-R398 IonicContact OD2-NE 2.6Å; D395-R398 PolarHBondContact OD2-NE 3.46Å; D395-R398 IonicContact OD2-NH2 3.88Å; D395-R398 PolarHBondContact OD2-NH2 3.44Å
396Y34.4Very low35.1Very low219 Ų219118.5 Ų118.586%0.85958%0.577SS**G310 helixtrans-66.4-6.4159.3-79-79.4000112.8
397S33Very low35.1Very low61 Ų61117.8 Ų117.843%0.42758%0.582SS.*G310 helixtrans-81.2-5.7173.948.80000113.8R394 D395 V399 H400R394-S397 PolarHBondContact O-OG 3Å; D395-S397 PolarHBondContact O-N 3.18Å; S397-V399 PolarHBondContact O-N 3.13Å; S397-H400 PolarHBondContact O-CD2 3.07Å; S397-H400 PolarHBondContact O-N 2.91Å
398R32.8Very low34.9Very low138 Ų138114.4 Ų114.452%0.52158%0.575SS.*G310 helixtrans-80.429.3-178.8-67.3-162.6-170.8-172.615.6116.3D395 H400 D401D395-R398 HydrophobicContact CB-CG 4.28Å; D395-R398 PolarHBondContact O-N 3.35Å; D395-R398 WeakPolarHBondContact OD1-CG 3.49Å; D395-R398 IonicContact OD1-CZ 2.87Å; D395-R398 IonicContact OD1-NE 3.1Å; D395-R398 PolarHBondContact OD1-NE 3.35Å; D395-R398 IonicContact OD1-NH2 2.68Å; D395-R398 IonicContact OD2-CZ 3.08Å; D395-R398 IonicContact OD2-NE 2.6Å; D395-R398 PolarHBondContact OD2-NE 3.46Å; D395-R398 IonicContact OD2-NH2 3.88Å; D395-R398 PolarHBondContact OD2-NH2 3.44Å; R398-H400 PolarHBondContact O-N 3.47Å; R398-D401 WeakPolarHBondContact CD-OD2 3.42Å; R398-D401 IonicContact NH1-OD2 3.8Å
399V38.3Very low34.6Very low100 Ų100113.7 Ų113.761%0.60658%0.575SS**G310 helixtrans-65.9-19.3155.1178.20000110.3S397 D401 T402S397-V399 PolarHBondContact O-N 3.13Å; V399-D401 VanDerWaalsContact C-N 3.3Å; V399-D401 PolarHBondContact O-N 2.94Å; V399-T402 PolarHBondContact O-OG1 3.23Å; V399-T402 VanDerWaalsContact O-OG1 3.05Å
400H33.5Very low34.3Very low92 Ų92112.1 Ų112.143%0.42659%0.586SS.*G310 helixtrans-70.8-10.8179.1-60.2-48.8000115.8S397 R398 H405S397-H400 PolarHBondContact O-CD2 3.07Å; S397-H400 PolarHBondContact O-N 2.91Å; R398-H400 PolarHBondContact O-N 3.47Å; H400-H405 PolarHBondContact O-CD2 2.9Å
401D35.1Very low34.2Very low111 Ų111110.9 Ų110.959%0.59460%0.595SS**G310 helixtrans-95.416.1-178.6-74.2-22.6000114R398 V399R398-D401 WeakPolarHBondContact CD-OD2 3.42Å; R398-D401 IonicContact NH1-OD2 3.8Å; V399-D401 VanDerWaalsContact C-N 3.3Å; V399-D401 PolarHBondContact O-N 2.94Å
402T39.3Very low34.2Very low56 Ų56108.2 Ų108.234%0.34460%0.598SS.*SBendtrans-64.9161161.231.40000109.8V399 L404 H405V399-T402 PolarHBondContact O-OG1 3.23Å; V399-T402 VanDerWaalsContact O-OG1 3.05Å; T402-L404 PolarHBondContact O-N 3.22Å; T402-L404 WeakPolarHBondContact OG1-CD1 3.38Å; T402-H405 PolarHBondContact O-N 2.96Å
403P39.1Very low34.2Very low99 Ų99107.7 Ų107.764%0.64361%0.608SS**THydrogen-bonded Turntrans-59.37.5177.123.3-33.7000115.2
404L39.2Very low34.3Very low67 Ų67104 Ų10435%0.35161%0.607SS.*THydrogen-bonded Turntrans-61.1-30.7167.9-99145.6000114.5E148 T402E148-L404 VanDerWaalsContact CD-CD2 3.4Å; E148-L404 HydrophobicContact CG-CD1 4.31Å; E148-L404 HydrophobicContact CG-CD2 3.75Å; E148-L404 HydrophobicContact CG-CG 4.38Å; E148-L404 VanDerWaalsContact OE1-CD2 3.32Å; E148-L404 WeakPolarHBondContact OE1-CD2 3.45Å; T402-L404 PolarHBondContact O-N 3.22Å; T402-L404 WeakPolarHBondContact OG1-CD1 3.38Å
405H39.5Very low34.4Very low99 Ų9997.7 Ų97.746%0.45860%0.601SS.*SBendtrans-99.7-17.4-171.8-112.5-70.7000116.7H400 T402 T407 A408H400-H405 PolarHBondContact O-CD2 2.9Å; T402-H405 PolarHBondContact O-N 2.96Å; H405-T407 VanDerWaalsContact C-N 3.28Å; H405-T407 PolarHBondContact O-N 2.95Å; H405-A408 PolarHBondContact O-N 3.47Å
406L36.3Very low34.4Very low151 Ų151100.7 Ų100.779%0.79162%0.62SS**THydrogen-bonded Turntrans-73.6-15.1-176-101145.7000114.3
407T37.3Very low34.2Very low124 Ų12494.1 Ų94.176%0.76161%0.611SS**THydrogen-bonded Turntrans-95-6.9177.444.90000114H405H405-T407 VanDerWaalsContact C-N 3.28Å; H405-T407 PolarHBondContact O-N 2.95Å
408A35.4Very low34Very low75 Ų7596.9 Ų96.962%0.6263%0.626SS**THydrogen-bonded Turntrans-97.8-17.4-175.800000114.4H405H405-A408 PolarHBondContact O-N 3.47Å
409T35.4Very low33.9Very low90 Ų9094.5 Ų94.555%0.55264%0.635SS**SBendtrans-112.215.2-177.148.60000114.2G411T409-G411 PolarHBondContact O-N 3.42Å; T409-G411 VanDerWaalsContact O-N 3.14Å
410G30.3Very low33.4Very low79 Ų7997.4 Ų97.481%0.81465%0.647SS**THydrogen-bonded Turntrans-73.88.8176.400000115.9
411G31.7Very low33.2Very low78 Ų7897.5 Ų97.580%0.80466%0.663SS**THydrogen-bonded Turntrans-126.2-7.1-170.800000117.5T409T409-G411 PolarHBondContact O-N 3.42Å; T409-G411 VanDerWaalsContact O-N 3.14Å
412A30.5Very low33Very low79 Ų7996.4 Ų96.465%0.65367%0.669SS**SBendtrans-133.31.8-166.100000116.9
413T32.6Very low32.4Very low117 Ų117100.5 Ų100.572%0.71869%0.694SS**SBendtrans-106.313-176.546.10000114.7
414A29.6Very low31.8Very low92 Ų92101.5 Ų101.576%0.7670%0.701SS**SBendtrans-91.1-10.3173.600000114.1
415A29.8Very low31.2Very low84 Ų84103.4 Ų103.469%0.69473%0.726SS**SBendtrans-106.5-10.5-172.200000115.3
416V30.3Very low30.5Very low103 Ų103103.2 Ų103.262%0.62474%0.736SS**SBendtrans-104.1-16-175.8-176.80000112.6T418V416-T418 VanDerWaalsContact C-N 3.28Å; V416-T418 PolarHBondContact O-N 3.27Å
417A28.4Very low29.9Very low82 Ų82106.8 Ų106.868%0.67874%0.74SS**THydrogen-bonded Turntrans-75-12.7179.500000114.2
418T30.4Very low29.4Very low119 Ų119104.6 Ų104.673%0.7374%0.735SS**THydrogen-bonded Turntrans-97-5-174-170000114.1V416V416-T418 VanDerWaalsContact C-N 3.28Å; V416-T418 PolarHBondContact O-N 3.27Å
419A29.4Very low28.9Very low87 Ų87109.3 Ų109.372%0.71975%0.749SS**SBendtrans-102.5-8-174.800000115
420L28.7Very low28.4Very low162 Ų162108.9 Ų108.985%0.84876%0.755SS**SBendtrans-104.43.6-176.8-83.8157.4000114.2
421A28.5Very low28.2Very low94 Ų94111.9 Ų111.978%0.77776%0.757SS**SBendtrans-98.314.8-174.800000115
422A30.3Very low27.8Very low87 Ų87112.3 Ų112.372%0.71976%0.761SS**  trans-138.570.8-173.900000114.2
423V26.9Very low27.5Very low142 Ų142112.3 Ų112.386%0.86177%0.77SS**  trans-150.6122.8147.1-175.10000108.8
424P27.1Very low27.2Very low121 Ų121115.5 Ų115.579%0.78678%0.776SS**  trans-88.1155.3-175.733.6-31.6000113.8
425A27Very low27.1Very low106 Ų106118 Ų11888%0.87678%0.782SS**  trans-69.1141.3179.300000113.5
426S23.9Very low27Very low95 Ų95121.5 Ų121.566%0.66479%0.787SS**  trans-163.2130.8160.456.30000113.1
427Y25.2Very low26.7Very low226 Ų226119.7 Ų119.789%0.88679%0.789SS**  trans75.6147.8164-62.5-83.3000119.6
428A25.3Very low26.6Very low79 Ų79124 Ų12465%0.65380%0.801SS**  cis172.9138.7-36.400000105.5
429L25.1Very low26.5Very low174 Ų174123.5 Ų123.591%0.91180%0.801SS**  trans11.9129.1153.1-79.7132.9000120.3
430A24.5Very low26.4Very low81 Ų81124.2 Ų124.267%0.66981%0.807SS**  156.2134107.600000115.2
431T26Very low26.7Very low141 Ų141124.2 Ų124.287%0.86581%0.806SS**  trans63.5113.4140.457.20000122.7
432G23.7Very low26.8Very low87 Ų87123.4 Ų123.490%0.89780%0.799SS**  84.6131.110700000120.1
433G24.8Very low26.7Very low80 Ų80127.5 Ų127.583%0.82581%0.809SS**  trans140.4105.8151.800000116.3
434E25.4Very low26.7Very low184 Ų184124.3 Ų124.386%0.8681%0.805SS**  trans-55.2160.1161.7-71.3164.9112.800112.9
435V27.6Very low26.9Very low144 Ų144129.1 Ų129.187%0.87383%0.832SS**  -178.2140.51201580000110.7
436I27.9Very low26.9Very low158 Ų158130.3 Ų130.381%0.8183%0.829SS**  trans-80.4145.2-175-68.1160.9000112.2
437G25.2Very low27.1Very low64 Ų64132.2 Ų132.266%0.6684%0.838SS**  trans86.3122.2141.200000118.8
438N26.3Very low27.2Very low173 Ų173126.9 Ų126.993%0.92584%0.835SS**  -176155.794.7-118.1-13.4000114.5
439C27.6Very low27.3Very low108 Ų108129.8 Ų129.873%0.7385%0.846SS**  trans-73.1151.1-179.6-164.70000113.5
440A28.6Very low27.4Very low102 Ų102127 Ų12784%0.84384%0.842SS**  trans-166.3123.4139.600000111.9
441I33.3Very low27.6Very low162 Ų162130.1 Ų130.183%0.83185%0.853SS**  trans-102.1154.4171.5-84.6-177.8000108.9
442A31Very low27.7Very low78 Ų78129.3 Ų129.365%0.64585%0.853SS**  trans88.7108.6152.900000120.9
443N27.8Very low28Very low173 Ų173132.5 Ų132.593%0.92585%0.849SS**  55.7126.9117.6-65.2-7.1000121.3
444G26.7Very low28.3Very low74 Ų74136.9 Ų136.976%0.76385%0.851SS**  trans178.893152.200000111.9
445V32.1Very low28.5Very low223 Ų223132.6 Ų132.6100%1.35285%0.851SS**  159.40125.11700000109.2

Retrieved 445 of 445 residues in 439.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).