A0A096LZA2_POEFO Loading...

FERM and PDZ domain containing 3

AlphaFold DB , UniProt , Accession A0A096LZA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,194 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.6Low82.3Confident208 Ų20892.6 Ų92.6100%1.02546%0.463SS*.  0154.50-71.8-166.9-91.800109.8
2K70.5Confident82.8Confident180 Ų18094.1 Ų94.178%0.78346%0.464SS*.  trans-118.799-178.9-175.5173-175169.40110.2
3C80.5Confident83.3Confident112 Ų11290.4 Ų90.476%0.75745%0.447SS*.  trans-77.3137.3176.1-59.40000110.3
4L79.6Confident83.9Confident102 Ų10284.1 Ų84.153%0.53442%0.416SS..  trans-128.5119.4176.3-65.7176.6000109.2R6L4-R6 HydrophobicContact CB-CG 4.29Å; L4-R6 PolarHBondContact O-N 2.96Å
5F87.6Confident84.5Confident169 Ų16979.1 Ų79.174%0.74139%0.393SS*.  trans-61.8134.2160.3-175.8-102.9000108.4Y27F5-Y27 HydrophobicContact CD1-CE1 4.05Å; F5-Y27 HydrophobicContact CD1-CE2 4.3Å; F5-Y27 AromaticContact CD1-CZ 3.73Å; F5-Y27 HydrophobicContact CE1-CE1 4.06Å; F5-Y27 PolarHBondContact O-OH 2.9Å
6R88.5Confident84.9Confident59 Ų5977.3 Ų77.322%0.22339%0.386CS..  trans-153152-179.6-72.8-17960.785.7-8.1109.7L4 C8 Q31 D35L4-R6 HydrophobicContact CB-CG 4.29Å; L4-R6 PolarHBondContact O-N 2.96Å; R6-C8 PolarHBondContact O-N 2.64Å; R6-Q31 VanDerWaalsContact CA-OE1 3.24Å; R6-D35 IonicContact CZ-OD1 3.58Å; R6-D35 IonicContact CZ-OD2 3.16Å; R6-D35 VanDerWaalsContact CZ-OD2 3.28Å; R6-D35 IonicContact NH1-OD1 3.47Å; R6-D35 PolarHBondContact NH1-OD1 2.95Å; R6-D35 IonicContact NH1-OD2 3.26Å; R6-D35 PolarHBondContact NH1-OD2 2.83Å; R6-D35 IonicContact NH2-OD1 3.61Å; R6-D35 IonicContact NH2-OD2 3.43Å; R6-D35 PolarHBondContact NH2-OD2 3.16Å
7V89.9Confident85.3Confident32 Ų3274.7 Ų74.719%0.19437%0.373CS..  trans-75.4108.2162.8178.90000107.8F9 F10 Y27 L28 Q31V7-F9 WeakPolarHBondContact CG1-O 3.03Å; V7-F10 WeakPolarHBondContact O-CE2 3.46Å; V7-Y27 HydrophobicContact CG2-CD1 3.83Å; V7-Y27 HydrophobicContact CG2-CE1 4.09Å; V7-L28 HydrophobicContact CB-CD1 3.98Å; V7-L28 HydrophobicContact CG1-CD1 3.99Å; V7-L28 HydrophobicContact CG2-CB 4.5Å; V7-L28 HydrophobicContact CG2-CD1 4.36Å; V7-Q31 PolarHBondContact O-NE2 3.36Å
8C86.5Confident85.8Confident42 Ų4272.2 Ų72.228%0.28436%0.361SS..  trans-90.8-35.1175.4-620000112.4R6R6-C8 PolarHBondContact O-N 2.64Å
9F89.9Confident86.3Confident70 Ų7076.9 Ų76.931%0.30737%0.374SS..SBendtrans-98.8108.6179.3-52.9-72.5000109.7V7 L226 Y230 L233 F939V7-F9 WeakPolarHBondContact CG1-O 3.03Å; F9-L226 HydrophobicContact CD1-CD1 4.25Å; F9-L226 HydrophobicContact CE1-CD1 3.98Å; F9-Y230 HydrophobicContact CB-CD1 4.31Å; F9-Y230 HydrophobicContact CB-CE1 3.83Å; F9-Y230 HydrophobicContact CD1-CD1 4.02Å; F9-Y230 HydrophobicContact CD1-CD2 4.26Å; F9-Y230 AromaticContact CD1-CE1 4Å; F9-Y230 HydrophobicContact CD1-CE1 4Å; F9-Y230 HydrophobicContact CD1-CE2 4.25Å; F9-Y230 HydrophobicContact CD1-CG 4.14Å; F9-Y230 HydrophobicContact CG-CE1 4.44Å; F9-L233 HydrophobicContact CB-CD2 3.79Å; F9-F939 HydrophobicContact CZ-CE2 4.11Å
10F90.3Very high86.6Confident23 Ų2382.9 Ų82.910%0.10139%0.393CS..  trans-83.7147.1-175.6-81.5-118.5000111.5V7 L28 F139 G140 P162 Y230V7-F10 WeakPolarHBondContact O-CE2 3.46Å; F10-L28 HydrophobicContact CD1-CD1 4.05Å; F10-L28 HydrophobicContact CE1-CD1 3.66Å; F10-L28 HydrophobicContact CZ-CD1 3.97Å; F10-F139 AromaticContact CD1-CE1 3.96Å; F10-F139 HydrophobicContact CD1-CE1 3.96Å; F10-F139 HydrophobicContact CD1-CZ 4.19Å; F10-F139 HydrophobicContact CE1-CD1 4.5Å; F10-F139 AromaticContact CE1-CE1 3.83Å; F10-F139 HydrophobicContact CE1-CE1 3.83Å; F10-F139 HydrophobicContact CE1-CE2 4.05Å; F10-F139 AromaticContact CE1-CZ 3.58Å; F10-F139 HydrophobicContact CE1-CZ 3.58Å; F10-G140 VanDerWaalsContact CD1-CA 3.49Å; F10-P162 HydrophobicContact CB-CG 3.97Å; F10-P162 VanDerWaalsContact O-CB 3.29Å; F10-P162 WeakPolarHBondContact O-CB 3.15Å; F10-P162 WeakPolarHBondContact O-CG 3.39Å; F10-Y230 PolarHBondContact N-OH 3.29Å
11P89.3Confident86.9Confident22 Ų2282.2 Ų82.214%0.14339%0.392CS..  trans-69.2156.3171.832.4-37.2000111L17 L28P11-L17 HydrophobicContact CB-CB 4.14Å; P11-L17 HydrophobicContact CG-CB 4.03Å; P11-L17 HydrophobicContact CG-CD2 4.08Å; P11-L28 HydrophobicContact CG-CD2 4Å
12K88Confident88.9Confident110 Ų11076.1 Ų76.148%0.47837%0.368SS..SBendtrans-68.5-43.3173.4-65.6-174.6179.6-1760111.9N134 P162 F234K12-N134 PolarHBondContact O-ND2 2.75Å; K12-P162 VanDerWaalsContact CE-O 3.27Å; K12-P162 WeakPolarHBondContact CE-O 3.28Å; K12-P162 HydrophobicContact CG-CB 4.05Å; K12-F234 HydrophobicContact CD-CE1 4.5Å; K12-F234 HydrophobicContact CD-CZ 4.49Å; K12-F234 HydrophobicContact CG-CE1 4.21Å; K12-F234 HydrophobicContact CG-CZ 3.94Å
13D89.7Confident90Very high46 Ų4669.4 Ų69.425%0.24635%0.345CS..SBendtrans-122123.5169.2176.813.3000109.7A15 D16D13-A15 PolarHBondContact O-N 2.89Å; D13-A15 VanDerWaalsContact O-N 3.13Å; D13-A15 WeakPolarHBondContact OD1-CB 3.41Å; D13-A15 PolarHBondContact OD1-N 3.16Å; D13-A15 VanDerWaalsContact OD2-CB 3.28Å; D13-A15 WeakPolarHBondContact OD2-CB 3.13Å; D13-D16 WeakPolarHBondContact O-CB 3.42Å; D13-D16 PolarHBondContact O-N 3.4Å
14P91.4Very high90.6Very high2 Ų265.3 Ų65.31%0.01332%0.32CS..Hα-helixtrans-54.4-24.5170-26.935.3000114.6L17 L18 F25 L127 M130 N134P14-L17 PolarHBondContact O-N 3.31Å; P14-L18 PolarHBondContact O-N 3.48Å; P14-F25 HydrophobicContact CB-CD2 4.48Å; P14-F25 HydrophobicContact CB-CE2 4.03Å; P14-F25 WeakPolarHBondContact O-CD2 3.11Å; P14-L127 HydrophobicContact CB-CD1 4.22Å; P14-M130 HydrophobicContact CB-CB 3.8Å; P14-M130 HydrophobicContact CG-CB 4Å; P14-N134 HydrophobicContact CG-CB 4.18Å
15A92.9Very high91.4Very high9 Ų960.5 Ų60.57%0.07430%0.295CS..Hα-helixtrans-75.3-24.5175.800000113.6D13 R19 L127D13-A15 PolarHBondContact O-N 2.89Å; D13-A15 VanDerWaalsContact O-N 3.13Å; D13-A15 WeakPolarHBondContact OD1-CB 3.41Å; D13-A15 PolarHBondContact OD1-N 3.16Å; D13-A15 VanDerWaalsContact OD2-CB 3.28Å; D13-A15 WeakPolarHBondContact OD2-CB 3.13Å; A15-R19 WeakPolarHBondContact O-CB 3.44Å; A15-R19 WeakPolarHBondContact O-CG 3.39Å; A15-R19 PolarHBondContact O-N 3.48Å; A15-R19 VanDerWaalsContact O-N 3.1Å; A15-R19 PolarHBondContact O-NE 2.99Å; A15-L127 HydrophobicContact CB-CD1 3.87Å; A15-L127 HydrophobicContact CB-CD2 4.16Å
16D91.6Very high91.7Very high50 Ų5054.1 Ų54.127%0.26727%0.267SS..Hα-helixtrans-66-43.6167.5-90.7-44.3000110.6D13 R19 R20D13-D16 WeakPolarHBondContact O-CB 3.42Å; D13-D16 PolarHBondContact O-N 3.4Å; D16-R19 VanDerWaalsContact CG-NH2 3.33Å; D16-R19 PolarHBondContact O-N 3.42Å; D16-R19 IonicContact OD1-CZ 3.32Å; D16-R19 IonicContact OD1-NH1 3.41Å; D16-R19 PolarHBondContact OD1-NH1 3.17Å; D16-R19 IonicContact OD1-NH2 3.01Å; D16-R19 PolarHBondContact OD1-NH2 3.44Å; D16-R19 IonicContact OD2-NH2 2.79Å; D16-R20 VanDerWaalsContact O-CG 3.3Å; D16-R20 WeakPolarHBondContact O-CG 3.46Å; D16-R20 PolarHBondContact O-N 3.22Å; D16-R20 IonicContact OD1-NH2 2.74Å
17L92Very high92.1Very high34 Ų3455.3 Ų55.318%0.17827%0.272CS..Hα-helixtrans-63-47.5177.1-173.662.5000110.6P11 P14 R19 R20 D21 A24 F25 L28P11-L17 HydrophobicContact CB-CB 4.14Å; P11-L17 HydrophobicContact CG-CB 4.03Å; P11-L17 HydrophobicContact CG-CD2 4.08Å; P14-L17 PolarHBondContact O-N 3.31Å; L17-R19 PolarHBondContact O-N 3.35Å; L17-R20 PolarHBondContact O-N 3.42Å; L17-R20 VanDerWaalsContact O-N 3.09Å; L17-D21 CarbonylContact O-C 3.56Å; L17-D21 PolarHBondContact O-N 2.83Å; L17-D21 VanDerWaalsContact O-O 3.1Å; L17-A24 HydrophobicContact CD1-CB 3.98Å; L17-A24 HydrophobicContact CD2-CB 4.46Å; L17-A24 HydrophobicContact CG-CB 4.44Å; L17-F25 HydrophobicContact CD2-CB 4.35Å; L17-F25 HydrophobicContact CG-CB 4.13Å; L17-L28 HydrophobicContact CD2-CB 4.24Å; L17-L28 HydrophobicContact CD2-CD2 3.6Å
18L94.4Very high92.3Very high29 Ų2953.8 Ų53.815%0.15226%0.263CS..Hα-helixtrans-58.7-32.7176.2178.655.9000113.4P14 P22 F25 L123 L127P14-L18 PolarHBondContact O-N 3.48Å; L18-P22 HydrophobicContact CD1-CB 4.2Å; L18-F25 HydrophobicContact CB-CB 4.18Å; L18-F25 HydrophobicContact CB-CD1 4.27Å; L18-F25 HydrophobicContact CB-CD2 3.75Å; L18-F25 HydrophobicContact CB-CE2 4.21Å; L18-F25 HydrophobicContact CB-CG 3.78Å; L18-F25 HydrophobicContact CD1-CB 4.32Å; L18-F25 HydrophobicContact CD1-CD1 3.73Å; L18-F25 HydrophobicContact CD1-CE1 4.25Å; L18-F25 HydrophobicContact CD1-CG 4Å; L18-F25 HydrophobicContact CD2-CE1 4.33Å; L18-F25 HydrophobicContact CD2-CZ 4.39Å; L18-F25 HydrophobicContact CG-CD1 4.38Å; L18-F25 HydrophobicContact CG-CG 4.37Å; L18-L123 HydrophobicContact CD1-CD1 3.89Å; L18-L123 HydrophobicContact CD1-CD2 4.35Å; L18-L123 HydrophobicContact CD1-CG 4.46Å; L18-L123 HydrophobicContact CD2-CD1 4.25Å; L18-L123 HydrophobicContact CD2-CG 4.25Å; L18-L127 HydrophobicContact CD2-CB 4.45Å; L18-L127 HydrophobicContact CD2-CD1 4.44Å; L18-L127 HydrophobicContact CD2-CD2 4.24Å
19R94.1Very high92.7Very high162 Ų16252 Ų5261%0.61125%0.25SS*.Hα-helixtrans-76.7-27.1176.3-81.2-176.4-79.899.6-0.8113.9A15 D16 L17A15-R19 WeakPolarHBondContact O-CB 3.44Å; A15-R19 WeakPolarHBondContact O-CG 3.39Å; A15-R19 PolarHBondContact O-N 3.48Å; A15-R19 VanDerWaalsContact O-N 3.1Å; A15-R19 PolarHBondContact O-NE 2.99Å; D16-R19 VanDerWaalsContact CG-NH2 3.33Å; D16-R19 PolarHBondContact O-N 3.42Å; D16-R19 IonicContact OD1-CZ 3.32Å; D16-R19 IonicContact OD1-NH1 3.41Å; D16-R19 PolarHBondContact OD1-NH1 3.17Å; D16-R19 IonicContact OD1-NH2 3.01Å; D16-R19 PolarHBondContact OD1-NH2 3.44Å; D16-R19 IonicContact OD2-NH2 2.79Å; L17-R19 PolarHBondContact O-N 3.35Å
20R92.5Very high92.9Very high197 Ų19750.2 Ų50.274%0.74324%0.244SC*.Hα-helixtrans-94.8-44.1-177.5-66.3173.9-167.1-165.33.9112.6D16 L17D16-R20 VanDerWaalsContact O-CG 3.3Å; D16-R20 WeakPolarHBondContact O-CG 3.46Å; D16-R20 PolarHBondContact O-N 3.22Å; D16-R20 IonicContact OD1-NH2 2.74Å; L17-R20 PolarHBondContact O-N 3.42Å; L17-R20 VanDerWaalsContact O-N 3.09Å
21D94.1Very high93.1Very high69 Ų6949.5 Ų49.537%0.36924%0.241SC..  trans-147.396.1-178.7-176.7-11.3000110.4L17 A23 A24 F25L17-D21 CarbonylContact O-C 3.56Å; L17-D21 PolarHBondContact O-N 2.83Å; L17-D21 VanDerWaalsContact O-O 3.1Å; D21-A23 PolarHBondContact O-N 3.26Å; D21-A23 WeakPolarHBondContact OD1-CA 3.26Å; D21-A23 VanDerWaalsContact OD1-CB 3.32Å; D21-A23 WeakPolarHBondContact OD1-CB 3.42Å; D21-A23 PolarHBondContact OD1-N 2.9Å; D21-A24 HydrophobicContact CB-CB 3.97Å; D21-A24 VanDerWaalsContact CG-CB 3.45Å; D21-A24 PolarHBondContact O-N 3.42Å; D21-A24 PolarHBondContact OD1-N 3.41Å; D21-A24 WeakPolarHBondContact OD2-CB 3.43Å; D21-F25 PolarHBondContact O-N 2.81Å
22P93.6Very high93.3Very high80 Ų8048.5 Ų48.552%0.51923%0.234SC..Hα-helixtrans-61.1-25.5174.2-23.733.8000114.4L18 E26L18-P22 HydrophobicContact CD1-CB 4.2Å; P22-E26 WeakPolarHBondContact O-CB 3.43Å; P22-E26 PolarHBondContact O-N 3.26Å
23A93.5Very high93.5Very high38 Ų3845.9 Ų45.931%0.31422%0.221SC..Hα-helixtrans-78.3-43.7-179.600000111.4D21 F25 E26 Y27 L962D21-A23 PolarHBondContact O-N 3.26Å; D21-A23 WeakPolarHBondContact OD1-CA 3.26Å; D21-A23 VanDerWaalsContact OD1-CB 3.32Å; D21-A23 WeakPolarHBondContact OD1-CB 3.42Å; D21-A23 PolarHBondContact OD1-N 2.9Å; A23-F25 VanDerWaalsContact C-N 3.3Å; A23-F25 PolarHBondContact O-N 3.17Å; A23-E26 PolarHBondContact O-N 3.33Å; A23-Y27 WeakPolarHBondContact O-CB 3.26Å; A23-Y27 PolarHBondContact O-N 2.83Å; A23-L962 HydrophobicContact CB-CD1 3.74Å
24A93.5Very high93.6Very high27 Ų2746.9 Ų46.922%0.22323%0.226CC..Hα-helixtrans-63.5-36.2169.900000111.9L17 D21 L28L17-A24 HydrophobicContact CD1-CB 3.98Å; L17-A24 HydrophobicContact CD2-CB 4.46Å; L17-A24 HydrophobicContact CG-CB 4.44Å; D21-A24 HydrophobicContact CB-CB 3.97Å; D21-A24 VanDerWaalsContact CG-CB 3.45Å; D21-A24 PolarHBondContact O-N 3.42Å; D21-A24 PolarHBondContact OD1-N 3.41Å; D21-A24 WeakPolarHBondContact OD2-CB 3.43Å; A24-L28 VanDerWaalsContact O-CB 3.25Å; A24-L28 WeakPolarHBondContact O-CB 3.45Å; A24-L28 PolarHBondContact O-N 3.08Å
25F95.9Very high93.5Very high1 Ų147 Ų470%0.00423%0.227CC..Hα-helixtrans-62.7-47.1171.7174.3-90.9000112.4P14 L17 L18 D21 A23 Y27 L28 Y29 L123 K126 L127 M130P14-F25 HydrophobicContact CB-CD2 4.48Å; P14-F25 HydrophobicContact CB-CE2 4.03Å; P14-F25 WeakPolarHBondContact O-CD2 3.11Å; L17-F25 HydrophobicContact CD2-CB 4.35Å; L17-F25 HydrophobicContact CG-CB 4.13Å; L18-F25 HydrophobicContact CB-CB 4.18Å; L18-F25 HydrophobicContact CB-CD1 4.27Å; L18-F25 HydrophobicContact CB-CD2 3.75Å; L18-F25 HydrophobicContact CB-CE2 4.21Å; L18-F25 HydrophobicContact CB-CG 3.78Å; L18-F25 HydrophobicContact CD1-CB 4.32Å; L18-F25 HydrophobicContact CD1-CD1 3.73Å; L18-F25 HydrophobicContact CD1-CE1 4.25Å; L18-F25 HydrophobicContact CD1-CG 4Å; L18-F25 HydrophobicContact CD2-CE1 4.33Å; L18-F25 HydrophobicContact CD2-CZ 4.39Å; L18-F25 HydrophobicContact CG-CD1 4.38Å; L18-F25 HydrophobicContact CG-CG 4.37Å; D21-F25 PolarHBondContact O-N 2.81Å; A23-F25 VanDerWaalsContact C-N 3.3Å; A23-F25 PolarHBondContact O-N 3.17Å; F25-Y27 VanDerWaalsContact C-N 3.33Å; F25-Y27 PolarHBondContact O-N 3.28Å; F25-L28 PolarHBondContact O-N 2.94Å; F25-Y29 PolarHBondContact O-N 3.5Å; F25-L123 HydrophobicContact CD1-CD1 4.5Å; F25-L123 HydrophobicContact CE1-CD1 4.15Å; F25-K126 HydrophobicContact CE1-CB 3.95Å; F25-K126 HydrophobicContact CZ-CB 4.17Å; F25-L127 HydrophobicContact CE2-CD1 3.99Å; F25-L127 HydrophobicContact CZ-CB 4.26Å; F25-L127 HydrophobicContact CZ-CD1 4.26Å; F25-M130 HydrophobicContact CE2-CB 4.27Å; F25-M130 HydrophobicContact CE2-CG 3.97Å; F25-M130 HydrophobicContact CZ-CG 4.05Å
26E94.9Very high93.3Very high35 Ų3547 Ų4716%0.16423%0.226CC..Hα-helixtrans-60.8-44.2177.5-177.162.1-145.900111.3P22 A23 Y29 I30 K126 L962P22-E26 WeakPolarHBondContact O-CB 3.43Å; P22-E26 PolarHBondContact O-N 3.26Å; A23-E26 PolarHBondContact O-N 3.33Å; E26-Y29 PolarHBondContact O-N 3.27Å; E26-I30 HydrophobicContact CG-CD1 4.09Å; E26-I30 WeakPolarHBondContact O-CG1 3.15Å; E26-I30 PolarHBondContact O-N 2.62Å; E26-K126 IonicContact OE1-NZ 2.73Å; E26-K126 PolarHBondContact OE1-NZ 2.8Å; E26-K126 VanDerWaalsContact OE2-CD 3.32Å; E26-K126 WeakPolarHBondContact OE2-CD 3.15Å; E26-K126 IonicContact OE2-NZ 2.66Å; E26-K126 PolarHBondContact OE2-NZ 3.08Å; E26-L962 HydrophobicContact CG-CD2 4.22Å
27Y95.8Very high93.2Very high84 Ų8446.6 Ų46.633%0.32922%0.223SC..Hα-helixtrans-62.5-43.9176.1-176.9-90.1000112F5 V7 A23 F25 Y29 I30 Q31F5-Y27 HydrophobicContact CD1-CE1 4.05Å; F5-Y27 HydrophobicContact CD1-CE2 4.3Å; F5-Y27 AromaticContact CD1-CZ 3.73Å; F5-Y27 HydrophobicContact CE1-CE1 4.06Å; F5-Y27 PolarHBondContact O-OH 2.9Å; V7-Y27 HydrophobicContact CG2-CD1 3.83Å; V7-Y27 HydrophobicContact CG2-CE1 4.09Å; A23-Y27 WeakPolarHBondContact O-CB 3.26Å; A23-Y27 PolarHBondContact O-N 2.83Å; F25-Y27 VanDerWaalsContact C-N 3.33Å; F25-Y27 PolarHBondContact O-N 3.28Å; Y27-Y29 VanDerWaalsContact C-N 3.34Å; Y27-Y29 PolarHBondContact O-N 2.92Å; Y27-I30 PolarHBondContact O-N 3.45Å; Y27-Q31 WeakPolarHBondContact O-CB 3.19Å; Y27-Q31 PolarHBondContact O-N 2.77Å
28L94.5Very high92.9Very high0 Ų050 Ų500%024%0.237CC..Hα-helixtrans-62.6-38.5175.3179.862.1000112.1V7 F10 P11 L17 A24 F25 S32 M130V7-L28 HydrophobicContact CB-CD1 3.98Å; V7-L28 HydrophobicContact CG1-CD1 3.99Å; V7-L28 HydrophobicContact CG2-CB 4.5Å; V7-L28 HydrophobicContact CG2-CD1 4.36Å; F10-L28 HydrophobicContact CD1-CD1 4.05Å; F10-L28 HydrophobicContact CE1-CD1 3.66Å; F10-L28 HydrophobicContact CZ-CD1 3.97Å; P11-L28 HydrophobicContact CG-CD2 4Å; L17-L28 HydrophobicContact CD2-CB 4.24Å; L17-L28 HydrophobicContact CD2-CD2 3.6Å; A24-L28 VanDerWaalsContact O-CB 3.25Å; A24-L28 WeakPolarHBondContact O-CB 3.45Å; A24-L28 PolarHBondContact O-N 3.08Å; F25-L28 PolarHBondContact O-N 2.94Å; L28-S32 VanDerWaalsContact O-CB 3.27Å; L28-S32 WeakPolarHBondContact O-CB 3.43Å; L28-S32 PolarHBondContact O-N 3.44Å; L28-S32 PolarHBondContact O-OG 2.87Å; L28-M130 HydrophobicContact CD2-CE 3.84Å; L28-M130 HydrophobicContact CG-CE 3.71Å
29Y95.7Very high92.4Very high5 Ų551.8 Ų51.82%0.0224%0.244CC..Hα-helixtrans-62.3-48.1172.8165.5-101.4000111.4F25 E26 Y27 Q31 S32 R33 I60 K126 Y129 M130F25-Y29 PolarHBondContact O-N 3.5Å; E26-Y29 PolarHBondContact O-N 3.27Å; Y27-Y29 VanDerWaalsContact C-N 3.34Å; Y27-Y29 PolarHBondContact O-N 2.92Å; Y29-Q31 PolarHBondContact O-N 2.04Å; Y29-S32 PolarHBondContact O-N 2.74Å; Y29-R33 WeakPolarHBondContact O-CB 3.49Å; Y29-R33 PolarHBondContact O-N 3.22Å; Y29-I60 HydrophobicContact CE2-CD1 3.93Å; Y29-I60 WeakPolarHBondContact OH-CD1 3.47Å; Y29-K126 HydrophobicContact CD1-CD 3.7Å; Y29-K126 HydrophobicContact CD1-CG 3.93Å; Y29-K126 HydrophobicContact CD2-CB 4.02Å; Y29-K126 HydrophobicContact CD2-CG 4.06Å; Y29-K126 HydrophobicContact CE1-CD 3.88Å; Y29-K126 HydrophobicContact CE1-CG 3.85Å; Y29-K126 HydrophobicContact CE2-CB 4.28Å; Y29-K126 HydrophobicContact CE2-CG 3.99Å; Y29-K126 HydrophobicContact CG-CB 4.16Å; Y29-K126 HydrophobicContact CG-CD 4.13Å; Y29-K126 HydrophobicContact CG-CG 4.04Å; Y29-Y129 AromaticContact CD2-CD1 3.79Å; Y29-Y129 HydrophobicContact CD2-CD1 3.79Å; Y29-Y129 HydrophobicContact CD2-CE1 4.34Å; Y29-Y129 HydrophobicContact CD2-CG 4.34Å; Y29-Y129 AromaticContact CE2-CD1 3.63Å; Y29-Y129 HydrophobicContact CE2-CD1 3.63Å; Y29-Y129 HydrophobicContact CE2-CD2 4.44Å; Y29-Y129 HydrophobicContact CE2-CE1 4.1Å; Y29-Y129 AromaticContact CE2-CG 3.84Å; Y29-Y129 HydrophobicContact CE2-CG 3.84Å; Y29-M130 HydrophobicContact CD2-CG 4.35Å; Y29-M130 HydrophobicContact CD2-SD 4.38Å
30I94.3Very high91.8Very high32 Ų3249.3 Ų49.316%0.16424%0.235CC..Hα-helixtrans-61.8-45.6178.3-66.9163.8000110.9E26 Y27 N34 I960E26-I30 HydrophobicContact CG-CD1 4.09Å; E26-I30 WeakPolarHBondContact O-CG1 3.15Å; E26-I30 PolarHBondContact O-N 2.62Å; Y27-I30 PolarHBondContact O-N 3.45Å; I30-N34 WeakPolarHBondContact O-CB 3.43Å; I30-N34 PolarHBondContact O-N 3.22Å; I30-N34 PolarHBondContact O-ND2 3.18Å; I30-N34 PolarHBondContact O-OD1 3.01Å; I30-I960 HydrophobicContact CD1-CD1 4.11Å
31Q93.7Very high90.9Very high8 Ų841.2 Ų41.24%0.03721%0.205CC..Hα-helixtrans-56.3-57.3174.8175.6177.5-57.700110.9R6 V7 Y27 Y29 R33 N34 D35R6-Q31 VanDerWaalsContact CA-OE1 3.24Å; V7-Q31 PolarHBondContact O-NE2 3.36Å; Y27-Q31 WeakPolarHBondContact O-CB 3.19Å; Y27-Q31 PolarHBondContact O-N 2.77Å; Y29-Q31 PolarHBondContact O-N 2.04Å; Q31-R33 VanDerWaalsContact C-N 3.33Å; Q31-R33 PolarHBondContact O-N 3.35Å; Q31-N34 PolarHBondContact O-N 2.94Å; Q31-N34 VanDerWaalsContact O-N 3.15Å; Q31-D35 WeakPolarHBondContact CG-OD2 3.33Å; Q31-D35 VanDerWaalsContact O-CG 3.26Å; Q31-D35 PolarHBondContact O-N 3.35Å
32S92.7Very high89.3Confident0 Ų043.5 Ų43.50%023%0.226CC..Hα-helixtrans-61.1-42.3-175.2-54.50000111.5L28 Y29 D35 V36 F139L28-S32 VanDerWaalsContact O-CB 3.27Å; L28-S32 WeakPolarHBondContact O-CB 3.43Å; L28-S32 PolarHBondContact O-N 3.44Å; L28-S32 PolarHBondContact O-OG 2.87Å; Y29-S32 PolarHBondContact O-N 2.74Å; S32-D35 PolarHBondContact O-N 3.46Å; S32-V36 WeakPolarHBondContact O-CG2 3.36Å; S32-V36 PolarHBondContact O-N 2.87Å; S32-F139 WeakPolarHBondContact OG-CZ 3.47Å
33R92.9Very high87.9Confident56 Ų5642.4 Ų42.421%0.21122%0.215CC..Hα-helixtrans-59.3-46.4175-179.3-157.674.5158-4.4112.3Y29 Q31 D35 V36 I37 H57 Y129Y29-R33 WeakPolarHBondContact O-CB 3.49Å; Y29-R33 PolarHBondContact O-N 3.22Å; Q31-R33 VanDerWaalsContact C-N 3.33Å; Q31-R33 PolarHBondContact O-N 3.35Å; R33-D35 VanDerWaalsContact C-N 3.33Å; R33-V36 PolarHBondContact O-N 2.89Å; R33-I37 WeakPolarHBondContact O-CG1 3.19Å; R33-I37 PolarHBondContact O-N 2.82Å; R33-I37 VanDerWaalsContact O-N 3.12Å; R33-H57 PolarHBondContact NH1-NE2 3.42Å; R33-Y129 WeakPolarHBondContact CA-OH 3.4Å; R33-Y129 HydrophobicContact CB-CE1 4.19Å
34N91.2Very high86.7Confident67 Ų6748.5 Ų48.536%0.35824%0.242SC..Hα-helixtrans-66.2-38178.5-65.5-2.4000111.2I30 Q31 V36 I37 K38I30-N34 WeakPolarHBondContact O-CB 3.43Å; I30-N34 PolarHBondContact O-N 3.22Å; I30-N34 PolarHBondContact O-ND2 3.18Å; I30-N34 PolarHBondContact O-OD1 3.01Å; Q31-N34 PolarHBondContact O-N 2.94Å; Q31-N34 VanDerWaalsContact O-N 3.15Å; N34-V36 VanDerWaalsContact C-N 3.35Å; N34-I37 PolarHBondContact O-N 2.79Å; N34-K38 WeakPolarHBondContact O-CB 3.34Å; N34-K38 WeakPolarHBondContact O-CG 3.17Å; N34-K38 PolarHBondContact O-N 3.13Å
35D89.4Confident85.9Confident4 Ų449.3 Ų49.32%0.02124%0.24CC..Hα-helixtrans-69.1-29.9177.2-64.9-34.1000112.6R6 Q31 S32 R33 E39 R40 F41R6-D35 IonicContact CZ-OD1 3.58Å; R6-D35 IonicContact CZ-OD2 3.16Å; R6-D35 VanDerWaalsContact CZ-OD2 3.28Å; R6-D35 IonicContact NH1-OD1 3.47Å; R6-D35 PolarHBondContact NH1-OD1 2.95Å; R6-D35 IonicContact NH1-OD2 3.26Å; R6-D35 PolarHBondContact NH1-OD2 2.83Å; R6-D35 IonicContact NH2-OD1 3.61Å; R6-D35 IonicContact NH2-OD2 3.43Å; R6-D35 PolarHBondContact NH2-OD2 3.16Å; Q31-D35 WeakPolarHBondContact CG-OD2 3.33Å; Q31-D35 VanDerWaalsContact O-CG 3.26Å; Q31-D35 PolarHBondContact O-N 3.35Å; S32-D35 PolarHBondContact O-N 3.46Å; R33-D35 VanDerWaalsContact C-N 3.33Å; D35-E39 PolarHBondContact O-N 3.46Å; D35-R40 HydrophobicContact CB-CB 4.17Å; D35-R40 PolarHBondContact O-N 2.78Å; D35-R40 WeakPolarHBondContact OD1-CD 3.38Å; D35-R40 IonicContact OD1-CZ 3Å; D35-R40 IonicContact OD1-NE 2.93Å; D35-R40 IonicContact OD1-NH1 2.7Å; D35-R40 PolarHBondContact OD1-NH1 3.2Å; D35-F41 HydrophobicContact CB-CE2 3.76Å; D35-F41 HydrophobicContact CB-CZ 3.99Å
36V89.4Confident85.2Confident8 Ų856.7 Ų56.75%0.04827%0.272CS..Hα-helixtrans-68.3-49.6170.9170.70000111.7S32 R33 N34 K38 E39 F41 W45 P87 L133S32-V36 WeakPolarHBondContact O-CG2 3.36Å; S32-V36 PolarHBondContact O-N 2.87Å; R33-V36 PolarHBondContact O-N 2.89Å; N34-V36 VanDerWaalsContact C-N 3.35Å; V36-K38 VanDerWaalsContact C-N 3.28Å; V36-K38 PolarHBondContact O-N 3.03Å; V36-E39 PolarHBondContact O-N 3.35Å; V36-E39 VanDerWaalsContact O-N 3.15Å; V36-F41 HydrophobicContact CG2-CD2 4.26Å; V36-F41 HydrophobicContact CG2-CE2 3.82Å; V36-W45 HydrophobicContact CG1-CZ3 4.19Å; V36-W45 HydrophobicContact CG2-CH2 3.8Å; V36-W45 HydrophobicContact CG2-CZ3 3.78Å; V36-P87 HydrophobicContact CG1-CG 4.37Å; V36-L133 HydrophobicContact CG2-CD1 4.23Å; V36-L133 HydrophobicContact CG2-CD2 3.87Å
37I88.8Confident84.7Confident43 Ų4357.5 Ų57.522%0.22128%0.281CS..Hα-helixtrans-65.7-33.8-178.8-63-64.2000111.3R33 N34 E39 F85R33-I37 WeakPolarHBondContact O-CG1 3.19Å; R33-I37 PolarHBondContact O-N 2.82Å; R33-I37 VanDerWaalsContact O-N 3.12Å; N34-I37 PolarHBondContact O-N 2.79Å; I37-E39 VanDerWaalsContact C-N 3.31Å; I37-E39 PolarHBondContact O-N 3.41Å; I37-F85 VanDerWaalsContact CD1-C 3.44Å
38K86.5Confident84.3Confident106 Ų10657.2 Ų57.246%0.46129%0.285SS..THydrogen-bonded Turntrans-88.916175-62-161.6174.2-152.70114.4N34 V36 R40 E955N34-K38 WeakPolarHBondContact O-CB 3.34Å; N34-K38 WeakPolarHBondContact O-CG 3.17Å; N34-K38 PolarHBondContact O-N 3.13Å; V36-K38 VanDerWaalsContact C-N 3.28Å; V36-K38 PolarHBondContact O-N 3.03Å; K38-R40 HydrophobicContact CB-CG 4.3Å; K38-R40 PolarHBondContact O-N 3.33Å; K38-E955 WeakPolarHBondContact CE-OE1 3.45Å; K38-E955 IonicContact NZ-OE1 3.24Å; K38-E955 PolarHBondContact NZ-OE1 3.33Å; K38-E955 IonicContact NZ-OE2 3.67Å; K38-E955 PolarHBondContact NZ-OE2 3.15Å
39E84.4Confident84.1Confident65 Ų6558.2 Ų58.230%0.30429%0.291SS..THydrogen-bonded Turntrans52.328.5171.4-63.4177.9155.400115D35 V36 I37 F41 P87 L88 T89D35-E39 PolarHBondContact O-N 3.46Å; V36-E39 PolarHBondContact O-N 3.35Å; V36-E39 VanDerWaalsContact O-N 3.15Å; I37-E39 VanDerWaalsContact C-N 3.31Å; I37-E39 PolarHBondContact O-N 3.41Å; E39-F41 PolarHBondContact O-N 3.32Å; E39-F41 VanDerWaalsContact O-N 3.11Å; E39-P87 HydrophobicContact CG-CB 3.68Å; E39-P87 WeakPolarHBondContact OE1-CB 3.45Å; E39-L88 PolarHBondContact OE1-N 2.97Å; E39-T89 VanDerWaalsContact OE1-CB 3.31Å; E39-T89 WeakPolarHBondContact OE1-CB 3.47Å; E39-T89 WeakPolarHBondContact OE1-CG2 3.13Å; E39-T89 PolarHBondContact OE1-N 3.15Å; E39-T89 PolarHBondContact OE1-OG1 3.1Å; E39-T89 WeakPolarHBondContact OE2-CG2 3.41Å
40R80.2Confident83.8Confident111 Ų11158.6 Ų58.642%0.41929%0.294SS..  trans-71.9-5.7-175.7-73.7174.2157.8-168.6-9.6114.4D35 K38D35-R40 HydrophobicContact CB-CB 4.17Å; D35-R40 PolarHBondContact O-N 2.78Å; D35-R40 WeakPolarHBondContact OD1-CD 3.38Å; D35-R40 IonicContact OD1-CZ 3Å; D35-R40 IonicContact OD1-NE 2.93Å; D35-R40 IonicContact OD1-NH1 2.7Å; D35-R40 PolarHBondContact OD1-NH1 3.2Å; K38-R40 HydrophobicContact CB-CG 4.3Å; K38-R40 PolarHBondContact O-N 3.33Å
41F74.6Confident83.7Confident27 Ų2757.5 Ų57.512%0.11829%0.289CS..SBendtrans-94.498.1167.1-53.7-78000106.8D35 V36 E39 M43 W45 F139D35-F41 HydrophobicContact CB-CE2 3.76Å; D35-F41 HydrophobicContact CB-CZ 3.99Å; V36-F41 HydrophobicContact CG2-CD2 4.26Å; V36-F41 HydrophobicContact CG2-CE2 3.82Å; E39-F41 PolarHBondContact O-N 3.32Å; E39-F41 VanDerWaalsContact O-N 3.11Å; F41-M43 PolarHBondContact O-N 3.02Å; F41-W45 HydrophobicContact CB-CH2 4.3Å; F41-W45 HydrophobicContact CB-CZ2 3.5Å; F41-W45 VanDerWaalsContact CB-CZ2 3.5Å; F41-W45 HydrophobicContact CD1-CZ2 4.19Å; F41-W45 AromaticContact CD2-CH2 3.52Å; F41-W45 HydrophobicContact CD2-CH2 3.52Å; F41-W45 AromaticContact CD2-CZ2 3.58Å; F41-W45 HydrophobicContact CD2-CZ2 3.58Å; F41-W45 AromaticContact CE2-CH2 4Å; F41-W45 HydrophobicContact CE2-CH2 4Å; F41-W45 HydrophobicContact CE2-CZ2 4.36Å; F41-W45 AromaticContact CG-CH2 3.94Å; F41-W45 HydrophobicContact CG-CH2 3.94Å; F41-W45 AromaticContact CG-CZ2 3.47Å; F41-W45 HydrophobicContact CG-CZ2 3.47Å; F41-W45 VanDerWaalsContact CG-CZ2 3.47Å; F41-F139 AromaticContact CE1-CD2 3.87Å; F41-F139 HydrophobicContact CE1-CD2 3.87Å; F41-F139 HydrophobicContact CE1-CE2 4.34Å; F41-F139 AromaticContact CZ-CD2 3.84Å; F41-F139 HydrophobicContact CZ-CD2 3.84Å; F41-F139 AromaticContact CZ-CE2 3.91Å; F41-F139 HydrophobicContact CZ-CE2 3.91Å
42S60.1Low83.7Confident117 Ų11761.9 Ų61.982%0.81831%0.305SS*.  trans-70.654.5-173-45.30000113.7
43M64.8Low83.7Confident56 Ų5662 Ų6228%0.27631%0.305SS..SBendtrans-146.2135-174.8-70.5-174.166.500111.4F41 W45 P138 L172F41-M43 PolarHBondContact O-N 3.02Å; M43-W45 PolarHBondContact O-N 2.79Å; M43-P138 HydrophobicContact SD-CB 3.93Å; M43-P138 HydrophobicContact SD-CG 3.62Å; M43-L172 HydrophobicContact CE-CB 3.89Å; M43-L172 HydrophobicContact CE-CD2 3.79Å; M43-L172 HydrophobicContact CE-CG 4.41Å; M43-L172 HydrophobicContact SD-CD2 3.77Å
44D68.6Low83.8Confident166 Ų16659.5 Ų59.589%0.88830%0.297SS*.  trans-64.792.6172.7-56.6-56.5000111.4
45W76.1Confident83.9Confident45 Ų4556.3 Ų56.317%0.1728%0.28CS..  trans-71.4139174.7-69.44.8000110.4V36 F41 M43 S47 L53 L133 L136V36-W45 HydrophobicContact CG1-CZ3 4.19Å; V36-W45 HydrophobicContact CG2-CH2 3.8Å; V36-W45 HydrophobicContact CG2-CZ3 3.78Å; F41-W45 HydrophobicContact CB-CH2 4.3Å; F41-W45 HydrophobicContact CB-CZ2 3.5Å; F41-W45 VanDerWaalsContact CB-CZ2 3.5Å; F41-W45 HydrophobicContact CD1-CZ2 4.19Å; F41-W45 AromaticContact CD2-CH2 3.52Å; F41-W45 HydrophobicContact CD2-CH2 3.52Å; F41-W45 AromaticContact CD2-CZ2 3.58Å; F41-W45 HydrophobicContact CD2-CZ2 3.58Å; F41-W45 AromaticContact CE2-CH2 4Å; F41-W45 HydrophobicContact CE2-CH2 4Å; F41-W45 HydrophobicContact CE2-CZ2 4.36Å; F41-W45 AromaticContact CG-CH2 3.94Å; F41-W45 HydrophobicContact CG-CH2 3.94Å; F41-W45 AromaticContact CG-CZ2 3.47Å; F41-W45 HydrophobicContact CG-CZ2 3.47Å; F41-W45 VanDerWaalsContact CG-CZ2 3.47Å; M43-W45 PolarHBondContact O-N 2.79Å; W45-S47 PolarHBondContact O-N 3.13Å; W45-S47 VanDerWaalsContact O-N 3.13Å; W45-L53 HydrophobicContact CE3-CD1 4.05Å; W45-L53 HydrophobicContact CZ3-CD1 3.56Å; W45-L133 HydrophobicContact CH2-CD2 3.43Å; W45-L133 VanDerWaalsContact CH2-CD2 3.43Å; W45-L133 HydrophobicContact CZ2-CD2 4.47Å; W45-L133 HydrophobicContact CZ3-CD2 3.69Å; W45-L136 HydrophobicContact CD2-CD1 3.88Å; W45-L136 HydrophobicContact CE3-CD1 4.02Å; W45-L136 HydrophobicContact CH2-CD1 3.76Å; W45-L136 HydrophobicContact CZ2-CD1 3.59Å; W45-L136 HydrophobicContact CZ3-CD1 3.97Å
46K80.9Confident84.2Confident155 Ų15556.1 Ų56.167%0.67428%0.279SS*.  trans-54.8122.2173.7-68173.8-177.3169.10108.2D48 V49 T50K46-D48 PolarHBondContact O-N 3.01Å; K46-V49 HydrophobicContact CB-CG2 4.35Å; K46-V49 WeakPolarHBondContact O-CA 3.35Å; K46-V49 WeakPolarHBondContact O-CB 3.44Å; K46-V49 PolarHBondContact O-N 3.33Å; K46-T50 PolarHBondContact O-N 2.85Å
47S85Confident84.5Confident52 Ų5256.3 Ų56.336%0.36428%0.279SS..Hα-helixtrans-54.5-30.3-168.8550000114.3W45 V49 T50 L51W45-S47 PolarHBondContact O-N 3.13Å; W45-S47 VanDerWaalsContact O-N 3.13Å; S47-V49 PolarHBondContact O-N 3.17Å; S47-T50 PolarHBondContact O-N 3.46Å; S47-L51 WeakPolarHBondContact O-CB 3.14Å; S47-L51 WeakPolarHBondContact O-CG 3.49Å; S47-L51 PolarHBondContact O-N 2.84Å
48D87.5Confident84.7Confident78 Ų7854.2 Ų54.242%0.41727%0.269SS..Hα-helixtrans-62.5-33.5172.3174.575.2000114.1K46 R52K46-D48 PolarHBondContact O-N 3.01Å; D48-R52 WeakPolarHBondContact O-CB 3.36Å; D48-R52 VanDerWaalsContact O-CG 3.3Å; D48-R52 WeakPolarHBondContact O-CG 3.49Å; D48-R52 PolarHBondContact O-N 3.09Å; D48-R52 IonicContact OD1-NE 2.65Å; D48-R52 IonicContact OD2-CZ 3.45Å; D48-R52 IonicContact OD2-NE 2.62Å; D48-R52 PolarHBondContact OD2-NE 3.23Å; D48-R52 IonicContact OD2-NH2 2.69Å; D48-R52 PolarHBondContact OD2-NH2 3.17Å
49V89.4Confident85.1Confident21 Ų2149.3 Ų49.313%0.12725%0.247CC..Hα-helixtrans-67-48.4171.6179.30000109.8K46 S47 L51 R52 L53 I132 L136K46-V49 HydrophobicContact CB-CG2 4.35Å; K46-V49 WeakPolarHBondContact O-CA 3.35Å; K46-V49 WeakPolarHBondContact O-CB 3.44Å; K46-V49 PolarHBondContact O-N 3.33Å; S47-V49 PolarHBondContact O-N 3.17Å; V49-L51 VanDerWaalsContact C-N 3.31Å; V49-L51 PolarHBondContact O-N 3.37Å; V49-R52 PolarHBondContact O-N 3.41Å; V49-R52 VanDerWaalsContact O-N 3.11Å; V49-L53 HydrophobicContact CG1-CD1 4.11Å; V49-L53 WeakPolarHBondContact O-CG 3.47Å; V49-L53 PolarHBondContact O-N 3.46Å; V49-I132 HydrophobicContact CG1-CG2 3.97Å; V49-L136 HydrophobicContact CG1-CD1 4.39Å; V49-L136 HydrophobicContact CG1-CD2 4.34Å
50T89.3Confident85.5Confident14 Ų1446.4 Ų46.49%0.08623%0.233CC..Hα-helixtrans-59.8-41.5178-47.70000111.5K46 S47 L53 A54 P87 L90K46-T50 PolarHBondContact O-N 2.85Å; S47-T50 PolarHBondContact O-N 3.46Å; T50-L53 PolarHBondContact O-N 2.97Å; T50-A54 VanDerWaalsContact O-CB 3.29Å; T50-A54 WeakPolarHBondContact O-CB 3.48Å; T50-A54 PolarHBondContact O-N 2.97Å; T50-P87 HydrophobicContact CG2-CG 3.68Å; T50-L90 HydrophobicContact CG2-CD1 4.13Å; T50-L90 HydrophobicContact CG2-CD2 4.2Å
51L91.8Very high86.2Confident8 Ų842.5 Ų42.54%0.04222%0.222CC..Hα-helixtrans-65.4-38.2174.2-72.1166.2000112.6S47 V49 A55 L90 V99 L103 L106S47-L51 WeakPolarHBondContact O-CB 3.14Å; S47-L51 WeakPolarHBondContact O-CG 3.49Å; S47-L51 PolarHBondContact O-N 2.84Å; V49-L51 VanDerWaalsContact C-N 3.31Å; V49-L51 PolarHBondContact O-N 3.37Å; L51-A55 VanDerWaalsContact O-CB 3.23Å; L51-A55 WeakPolarHBondContact O-CB 3.49Å; L51-A55 PolarHBondContact O-N 3.41Å; L51-L90 HydrophobicContact CD2-CD2 4.05Å; L51-L90 HydrophobicContact CG-CD2 4.45Å; L51-V99 HydrophobicContact CD2-CB 4.29Å; L51-V99 HydrophobicContact CD2-CG1 3.82Å; L51-V99 HydrophobicContact CD2-CG2 4.37Å; L51-L103 HydrophobicContact CD2-CD2 4.01Å; L51-L103 HydrophobicContact CD2-CG 4.05Å; L51-L106 HydrophobicContact CB-CD1 4.29Å
52R93.3Very high87Confident101 Ų10141.4 Ų41.438%0.38122%0.218SC..Hα-helixtrans-66-42.3174.1-78.3-169.2-93167.5-4.8112.2D48 V49 L56 L106 I132D48-R52 WeakPolarHBondContact O-CB 3.36Å; D48-R52 VanDerWaalsContact O-CG 3.3Å; D48-R52 WeakPolarHBondContact O-CG 3.49Å; D48-R52 PolarHBondContact O-N 3.09Å; D48-R52 IonicContact OD1-NE 2.65Å; D48-R52 IonicContact OD2-CZ 3.45Å; D48-R52 IonicContact OD2-NE 2.62Å; D48-R52 PolarHBondContact OD2-NE 3.23Å; D48-R52 IonicContact OD2-NH2 2.69Å; D48-R52 PolarHBondContact OD2-NH2 3.17Å; V49-R52 PolarHBondContact O-N 3.41Å; V49-R52 VanDerWaalsContact O-N 3.11Å; R52-L56 WeakPolarHBondContact O-CB 3.37Å; R52-L56 WeakPolarHBondContact O-CG 3.4Å; R52-L56 PolarHBondContact O-N 3.05Å; R52-L106 HydrophobicContact CG-CD1 3.95Å; R52-L106 HydrophobicContact CG-CD2 3.83Å; R52-I132 HydrophobicContact CB-CD1 4.41Å
53L94.1Very high88.4Confident2 Ų236.5 Ų36.51%0.0118%0.183CC..Hα-helixtrans-65.2-47174.4-68.5171.7000111.7W45 V49 T50 A55 L56 H57 Y129 I132 L133W45-L53 HydrophobicContact CE3-CD1 4.05Å; W45-L53 HydrophobicContact CZ3-CD1 3.56Å; V49-L53 HydrophobicContact CG1-CD1 4.11Å; V49-L53 WeakPolarHBondContact O-CG 3.47Å; V49-L53 PolarHBondContact O-N 3.46Å; T50-L53 PolarHBondContact O-N 2.97Å; L53-A55 PolarHBondContact O-N 3.26Å; L53-L56 PolarHBondContact O-N 2.96Å; L53-H57 PolarHBondContact O-N 2.97Å; L53-Y129 HydrophobicContact CB-CD2 4.29Å; L53-Y129 HydrophobicContact CB-CE2 3.75Å; L53-Y129 HydrophobicContact CD2-CD1 4.36Å; L53-Y129 HydrophobicContact CD2-CD2 3.69Å; L53-Y129 HydrophobicContact CD2-CE1 4.39Å; L53-Y129 HydrophobicContact CD2-CE2 3.72Å; L53-Y129 HydrophobicContact CD2-CG 4.01Å; L53-Y129 HydrophobicContact CG-CE2 4.32Å; L53-Y129 VanDerWaalsContact O-CE2 3.3Å; L53-Y129 WeakPolarHBondContact O-CE2 3.39Å; L53-I132 HydrophobicContact CD2-CB 4Å; L53-I132 HydrophobicContact CD2-CG2 3.74Å; L53-I132 HydrophobicContact CG-CG2 4.01Å; L53-L133 HydrophobicContact CD1-CD2 3.64Å; L53-L133 HydrophobicContact CD1-CG 4.29Å; L53-L133 HydrophobicContact CD2-CD2 4.22Å; L53-L133 HydrophobicContact CD2-CG 3.94Å
54A93.9Very high89.6Confident4 Ų437.1 Ų37.13%0.03319%0.193CC..Hα-helixtrans-59.9-45.8176.600000112.5T50 L56 H57 I58 F85 L86 L103T50-A54 VanDerWaalsContact O-CB 3.29Å; T50-A54 WeakPolarHBondContact O-CB 3.48Å; T50-A54 PolarHBondContact O-N 2.97Å; A54-L56 VanDerWaalsContact C-N 3.31Å; A54-L56 PolarHBondContact O-N 2.83Å; A54-H57 PolarHBondContact O-N 2.84Å; A54-I58 WeakPolarHBondContact O-CG1 3.35Å; A54-I58 PolarHBondContact O-N 2.93Å; A54-F85 WeakPolarHBondContact CB-O 3.39Å; A54-L86 HydrophobicContact CB-CD2 3.54Å; A54-L103 HydrophobicContact CB-CD2 4.01Å
55A94.9Very high90.6Very high0 Ų032 Ų320%017%0.174CC..Hα-helixtrans-62.8-36.6176.400000112.3L51 L53 Y59 L103 L106 L107 Y110L51-A55 VanDerWaalsContact O-CB 3.23Å; L51-A55 WeakPolarHBondContact O-CB 3.49Å; L51-A55 PolarHBondContact O-N 3.41Å; L53-A55 PolarHBondContact O-N 3.26Å; A55-Y59 WeakPolarHBondContact O-CB 3.35Å; A55-Y59 PolarHBondContact O-N 3.18Å; A55-L103 HydrophobicContact CB-CD2 3.92Å; A55-L106 HydrophobicContact CB-CB 3.55Å; A55-L106 HydrophobicContact CB-CD1 3.91Å; A55-L106 HydrophobicContact CB-CG 4.38Å; A55-L107 HydrophobicContact CB-CG 4.48Å; A55-L107 VanDerWaalsContact O-CD2 3.27Å; A55-L107 WeakPolarHBondContact O-CD2 3.34Å; A55-Y110 HydrophobicContact CB-CE2 3.88Å
56L95.1Very high91.1Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-68.2-42.2171.9-79.3168.8000112.4R52 L53 A54 Y59 I60 Y110 Q128 Y129 I132R52-L56 WeakPolarHBondContact O-CB 3.37Å; R52-L56 WeakPolarHBondContact O-CG 3.4Å; R52-L56 PolarHBondContact O-N 3.05Å; L53-L56 PolarHBondContact O-N 2.96Å; A54-L56 VanDerWaalsContact C-N 3.31Å; A54-L56 PolarHBondContact O-N 2.83Å; L56-Y59 WeakPolarHBondContact O-CB 3.5Å; L56-Y59 PolarHBondContact O-N 2.79Å; L56-I60 HydrophobicContact CB-CD1 4.45Å; L56-I60 WeakPolarHBondContact O-CB 3.41Å; L56-I60 VanDerWaalsContact O-CD1 3.26Å; L56-I60 WeakPolarHBondContact O-CD1 3.43Å; L56-I60 WeakPolarHBondContact O-CG1 3.45Å; L56-I60 PolarHBondContact O-N 2.95Å; L56-Y110 HydrophobicContact CD2-CD1 3.98Å; L56-Y110 HydrophobicContact CD2-CD2 4.05Å; L56-Y110 HydrophobicContact CD2-CE1 3.76Å; L56-Y110 HydrophobicContact CD2-CE2 3.83Å; L56-Y110 HydrophobicContact CD2-CG 4.15Å; L56-Y110 HydrophobicContact CG-CD2 4.4Å; L56-Y110 HydrophobicContact CG-CE1 4.18Å; L56-Y110 HydrophobicContact CG-CE2 3.74Å; L56-Q128 HydrophobicContact CD1-CB 4.33Å; L56-Q128 HydrophobicContact CD1-CG 4.01Å; L56-Q128 HydrophobicContact CD2-CB 4.49Å; L56-Y129 HydrophobicContact CB-CD2 3.9Å; L56-I132 HydrophobicContact CD1-CD1 3.62Å
57H94.9Very high91.1Very high11 Ų1130.8 Ų30.85%0.05118%0.176CC..Hα-helixtrans-60.4-48176.1-179.4-158.1000111R33 L53 A54 Y59 I60 T61 P84 F85 Y129R33-H57 PolarHBondContact NH1-NE2 3.42Å; L53-H57 PolarHBondContact O-N 2.97Å; A54-H57 PolarHBondContact O-N 2.84Å; H57-Y59 VanDerWaalsContact C-N 3.33Å; H57-Y59 PolarHBondContact O-N 2.72Å; H57-I60 PolarHBondContact O-N 2.9Å; H57-T61 PolarHBondContact CD2-OG1 2.99Å; H57-T61 VanDerWaalsContact CD2-OG1 3.29Å; H57-T61 PolarHBondContact NE2-OG1 2.05Å; H57-T61 WeakPolarHBondContact O-CB 3.44Å; H57-T61 PolarHBondContact O-N 3.16Å; H57-T61 PolarHBondContact O-OG1 3.01Å; H57-P84 PolarHBondContact CE1-O 3.09Å; H57-F85 HydrophobicContact CB-CD1 4.37Å; H57-F85 AromaticContact CE1-CD1 3.64Å; H57-F85 AromaticContact CG-CD1 3.77Å; H57-F85 AromaticContact ND1-CD1 3.5Å; H57-Y129 HydrophobicContact CB-CE2 4.31Å
58I94.5Very high90.8Very high0 Ų035.9 Ų35.90%020%0.199CC..Hα-helixtrans-56.4-47.7172.7-66.7165.6000110.6A54 I60 V62 I71 L73 V76 F85 L103 L107A54-I58 WeakPolarHBondContact O-CG1 3.35Å; A54-I58 PolarHBondContact O-N 2.93Å; I58-I60 PolarHBondContact O-N 3.41Å; I58-V62 HydrophobicContact CG2-CG2 4.22Å; I58-V62 WeakPolarHBondContact O-CB 3.2Å; I58-V62 VanDerWaalsContact O-CG2 3.27Å; I58-V62 WeakPolarHBondContact O-CG2 3.47Å; I58-V62 PolarHBondContact O-N 3.07Å; I58-I71 HydrophobicContact CG2-CG2 4.49Å; I58-L73 HydrophobicContact CD1-CD1 4.21Å; I58-V76 HydrophobicContact CG2-CB 4.4Å; I58-V76 HydrophobicContact CG2-CG1 3.93Å; I58-V76 HydrophobicContact CG2-CG2 3.86Å; I58-F85 HydrophobicContact CB-CD1 4.24Å; I58-F85 HydrophobicContact CB-CE1 4.49Å; I58-F85 HydrophobicContact CD1-CB 4.03Å; I58-F85 HydrophobicContact CD1-CG 4.17Å; I58-F85 HydrophobicContact CG1-CB 3.67Å; I58-F85 HydrophobicContact CG1-CD1 3.4Å; I58-F85 HydrophobicContact CG1-CD2 3.96Å; I58-F85 HydrophobicContact CG1-CE1 3.98Å; I58-F85 HydrophobicContact CG1-CE2 4.46Å; I58-F85 HydrophobicContact CG1-CG 3.39Å; I58-F85 HydrophobicContact CG1-CZ 4.47Å; I58-L103 HydrophobicContact CD1-CD1 4.43Å; I58-L107 HydrophobicContact CB-CD2 4.13Å; I58-L107 HydrophobicContact CG2-CD1 3.93Å; I58-L107 HydrophobicContact CG2-CD2 3.82Å
59Y93.6Very high90.4Very high2 Ų235.3 Ų35.31%0.00819%0.194CC..Hα-helixtrans-59.9-47.6-179.4-178.2-93.4000112.4A55 L56 H57 S63 I71 Y110 Q111 V120A55-Y59 WeakPolarHBondContact O-CB 3.35Å; A55-Y59 PolarHBondContact O-N 3.18Å; L56-Y59 WeakPolarHBondContact O-CB 3.5Å; L56-Y59 PolarHBondContact O-N 2.79Å; H57-Y59 VanDerWaalsContact C-N 3.33Å; H57-Y59 PolarHBondContact O-N 2.72Å; Y59-S63 WeakPolarHBondContact O-CB 3.3Å; Y59-S63 PolarHBondContact O-N 3.11Å; Y59-S63 PolarHBondContact O-OG 3.49Å; Y59-I71 HydrophobicContact CD2-CD1 3.67Å; Y59-I71 HydrophobicContact CE2-CD1 3.97Å; Y59-I71 HydrophobicContact CG-CD1 4.42Å; Y59-Y110 PolarHBondContact OH-O 3.27Å; Y59-Q111 HydrophobicContact CD2-CG 4.36Å; Y59-Q111 HydrophobicContact CE2-CG 3.81Å; Y59-V120 HydrophobicContact CE1-CB 3.99Å; Y59-V120 HydrophobicContact CE1-CG1 4.43Å; Y59-V120 VanDerWaalsContact CE1-O 3.22Å; Y59-V120 WeakPolarHBondContact CE1-O 3.48Å; Y59-V120 PolarHBondContact OH-N 3.36Å; Y59-V120 VanDerWaalsContact OH-N 3.15Å; Y59-V120 PolarHBondContact OH-O 3.48Å
60I94.2Very high90.1Very high4 Ų441.5 Ų41.52%0.02122%0.219CC..Hα-helixtrans-64.5-50.1-179.4-65.7156.2000110.2Y29 L56 H57 I58 S64 K126Y29-I60 HydrophobicContact CE2-CD1 3.93Å; Y29-I60 WeakPolarHBondContact OH-CD1 3.47Å; L56-I60 HydrophobicContact CB-CD1 4.45Å; L56-I60 WeakPolarHBondContact O-CB 3.41Å; L56-I60 VanDerWaalsContact O-CD1 3.26Å; L56-I60 WeakPolarHBondContact O-CD1 3.43Å; L56-I60 WeakPolarHBondContact O-CG1 3.45Å; L56-I60 PolarHBondContact O-N 2.95Å; H57-I60 PolarHBondContact O-N 2.9Å; I58-I60 PolarHBondContact O-N 3.41Å; I60-S64 VanDerWaalsContact O-CB 3.31Å; I60-S64 WeakPolarHBondContact O-CB 3.2Å; I60-S64 PolarHBondContact O-N 2.81Å; I60-S64 PolarHBondContact O-OG 3.15Å; I60-K126 HydrophobicContact CD1-CG 3.97Å; I60-K126 HydrophobicContact CG1-CG 4.31Å; I60-K126 HydrophobicContact CG2-CD 4.35Å; I60-K126 HydrophobicContact CG2-CG 3.81Å
61T93.1Very high90.1Very high30 Ų3041.5 Ų41.518%0.18422%0.218CC..Hα-helixtrans-62.2-50-177.8-64.60000111.2H57 S64 A65 W80 F85H57-T61 PolarHBondContact CD2-OG1 2.99Å; H57-T61 VanDerWaalsContact CD2-OG1 3.29Å; H57-T61 PolarHBondContact NE2-OG1 2.05Å; H57-T61 WeakPolarHBondContact O-CB 3.44Å; H57-T61 PolarHBondContact O-N 3.16Å; H57-T61 PolarHBondContact O-OG1 3.01Å; T61-S64 PolarHBondContact O-N 3.33Å; T61-A65 WeakPolarHBondContact O-CB 3.27Å; T61-A65 PolarHBondContact O-N 2.87Å; T61-W80 HydrophobicContact CG2-CZ3 4.48Å; T61-F85 HydrophobicContact CG2-CE1 4.22Å; T61-F85 HydrophobicContact CG2-CZ 4.4Å
62V92.1Very high90Very high4 Ų443.9 Ų43.92%0.02424%0.236CC..Hα-helixtrans-71-36.4-178.4-176.90000111.8I58 S64 A65 R66 I71 V76I58-V62 HydrophobicContact CG2-CG2 4.22Å; I58-V62 WeakPolarHBondContact O-CB 3.2Å; I58-V62 VanDerWaalsContact O-CG2 3.27Å; I58-V62 WeakPolarHBondContact O-CG2 3.47Å; I58-V62 PolarHBondContact O-N 3.07Å; V62-S64 VanDerWaalsContact C-N 3.3Å; V62-S64 PolarHBondContact O-N 3.12Å; V62-A65 PolarHBondContact O-N 3.14Å; V62-R66 WeakPolarHBondContact O-CA 3.21Å; V62-R66 PolarHBondContact O-N 2.85Å; V62-I71 HydrophobicContact CB-CD1 4.06Å; V62-I71 HydrophobicContact CB-CG1 4.26Å; V62-I71 HydrophobicContact CB-CG2 4.38Å; V62-I71 HydrophobicContact CG1-CD1 4.16Å; V62-I71 HydrophobicContact CG1-CG1 3.82Å; V62-I71 HydrophobicContact CG1-CG2 4.23Å; V62-V76 HydrophobicContact CG2-CG2 3.84Å
63S90.3Very high90Very high13 Ų1339.5 Ų39.59%0.09122%0.22CC..Hα-helixtrans-67-31.7174.7-59.10000112.6Y59 P67 I71Y59-S63 WeakPolarHBondContact O-CB 3.3Å; Y59-S63 PolarHBondContact O-N 3.11Å; Y59-S63 PolarHBondContact O-OG 3.49Å; S63-P67 WeakPolarHBondContact O-CA 3.48Å; S63-P67 WeakPolarHBondContact O-CB 3.38Å; S63-I71 WeakPolarHBondContact OG-CD1 3.41Å
64S89.5Confident89.8Confident70 Ų7047.6 Ų47.649%0.4926%0.255SS..Hα-helixtrans-75.4-40.5177-54.60000111.4I60 T61 V62I60-S64 VanDerWaalsContact O-CB 3.31Å; I60-S64 WeakPolarHBondContact O-CB 3.2Å; I60-S64 PolarHBondContact O-N 2.81Å; I60-S64 PolarHBondContact O-OG 3.15Å; T61-S64 PolarHBondContact O-N 3.33Å; V62-S64 VanDerWaalsContact C-N 3.3Å; V62-S64 PolarHBondContact O-N 3.12Å
65A89Confident89.6Confident59 Ų5950.3 Ų50.349%0.48827%0.267SS..Hα-helixtrans-74.7-32.8177.700000113.4T61 V62 W80T61-A65 WeakPolarHBondContact O-CB 3.27Å; T61-A65 PolarHBondContact O-N 2.87Å; V62-A65 PolarHBondContact O-N 3.14Å; A65-W80 HydrophobicContact CB-CZ2 4.3Å
66R86.9Confident89.4Confident92 Ų9250.4 Ų50.435%0.34727%0.267SS..  trans-144.462.3-169.8-55.8-171.1179.4-136.8-3.9112.8V62 N68 Q69 E79V62-R66 WeakPolarHBondContact O-CA 3.21Å; V62-R66 PolarHBondContact O-N 2.85Å; R66-N68 PolarHBondContact O-N 3.41Å; R66-Q69 HydrophobicContact CB-CB 4.05Å; R66-Q69 PolarHBondContact O-N 2.77Å; R66-E79 IonicContact CZ-OE1 2.7Å; R66-E79 VanDerWaalsContact CZ-OE1 3.26Å; R66-E79 IonicContact CZ-OE2 2.66Å; R66-E79 IonicContact NE-OE1 2.75Å; R66-E79 PolarHBondContact NE-OE1 3.16Å; R66-E79 VanDerWaalsContact NE-OE1 3.15Å; R66-E79 IonicContact NE-OE2 3.34Å; R66-E79 PolarHBondContact NE-OE2 2.89Å; R66-E79 IonicContact NH1-OE2 3.28Å; R66-E79 IonicContact NH2-OE1 3.74Å; R66-E79 PolarHBondContact NH2-OE1 2.9Å; R66-E79 IonicContact NH2-OE2 2.69Å; R66-E79 PolarHBondContact NH2-OE2 2.95Å
67P80.4Confident89.2Confident81 Ų8154.9 Ų54.953%0.52629%0.288SS..THydrogen-bonded Turntrans-55.9-31.9-168.519.7-33.4000115.4S63 K119S63-P67 WeakPolarHBondContact O-CA 3.48Å; S63-P67 WeakPolarHBondContact O-CB 3.38Å; P67-K119 PolarHBondContact O-NZ 2.92Å
68N78.8Confident89Confident159 Ų15963.3 Ų63.385%0.8533%0.325SS*.THydrogen-bonded Turntrans-85.5-16.1-178.7-66.7-21.8000113.9R66R66-N68 PolarHBondContact O-N 3.41Å
69Q79.9Confident88.8Confident67 Ų6766.9 Ų66.931%0.31334%0.341SS..SBendtrans-75.8157-178.3-163.5172.5-36.700111.5R66 K119R66-Q69 HydrophobicContact CB-CB 4.05Å; R66-Q69 PolarHBondContact O-N 2.77Å; Q69-K119 PolarHBondContact O-NZ 2.75Å; Q69-K119 VanDerWaalsContact O-NZ 3.08Å
70K83.5Confident88.5Confident150 Ų15071.8 Ų71.865%0.65236%0.36SS*.PPolyproline II helixtrans-87.6126.4166.6-170.7170.9-172.8162.70109.3
71I89Confident88.3Confident14 Ų1472.9 Ų72.97%0.07237%0.373CS..PPolyproline II helixtrans-80.7127.6-177.5-50.5177.1000108.6I58 Y59 V62 S63 V76 L107 Q111I58-I71 HydrophobicContact CG2-CG2 4.49Å; Y59-I71 HydrophobicContact CD2-CD1 3.67Å; Y59-I71 HydrophobicContact CE2-CD1 3.97Å; Y59-I71 HydrophobicContact CG-CD1 4.42Å; V62-I71 HydrophobicContact CB-CD1 4.06Å; V62-I71 HydrophobicContact CB-CG1 4.26Å; V62-I71 HydrophobicContact CB-CG2 4.38Å; V62-I71 HydrophobicContact CG1-CD1 4.16Å; V62-I71 HydrophobicContact CG1-CG1 3.82Å; V62-I71 HydrophobicContact CG1-CG2 4.23Å; S63-I71 WeakPolarHBondContact OG-CD1 3.41Å; I71-V76 HydrophobicContact CG2-CG2 4.13Å; I71-L107 HydrophobicContact CG2-CD1 4.44Å; I71-L107 HydrophobicContact CG2-CD2 4.31Å; I71-Q111 PolarHBondContact O-NE2 3.06Å
72S90Very high88.1Confident59 Ų5972.7 Ų72.741%0.41337%0.37SS..  trans-138.6137.417371.40000109.6K74 H75 V76S72-K74 VanDerWaalsContact C-N 3.32Å; S72-K74 PolarHBondContact O-N 2.73Å; S72-H75 WeakPolarHBondContact O-CB 3.45Å; S72-H75 PolarHBondContact O-N 3.3Å; S72-V76 PolarHBondContact O-N 2.91Å
73L92.4Very high87.8Confident8 Ų879.7 Ų79.74%0.04240%0.403CS..Hα-helixtrans-58.9-43.3-170.4-168.469.3000112.2I58 H75 V76 E77 L82 C100 L103 S104 L107I58-L73 HydrophobicContact CD1-CD1 4.21Å; L73-H75 PolarHBondContact O-N 2.74Å; L73-H75 VanDerWaalsContact O-N 3.08Å; L73-V76 PolarHBondContact O-N 3.09Å; L73-E77 VanDerWaalsContact O-CB 3.27Å; L73-E77 WeakPolarHBondContact O-CB 3.47Å; L73-E77 PolarHBondContact O-N 3.06Å; L73-L82 HydrophobicContact CD1-CD2 3.68Å; L73-L82 HydrophobicContact CG-CD2 4.27Å; L73-C100 HydrophobicContact CD2-CB 3.65Å; L73-C100 VanDerWaalsContact CD2-O 3.29Å; L73-C100 WeakPolarHBondContact CD2-O 3.28Å; L73-L103 HydrophobicContact CD1-CB 4.08Å; L73-L103 HydrophobicContact CD1-CD1 4.22Å; L73-L103 HydrophobicContact CD2-CB 4.04Å; L73-L103 HydrophobicContact CD2-CD1 4.48Å; L73-S104 WeakPolarHBondContact CB-OG 3.48Å; L73-L107 HydrophobicContact CD1-CD1 4Å
74K89.9Confident87.8Confident173 Ų17382.2 Ų82.275%0.75242%0.419SS*.Hα-helixtrans-54.9-27.8175.6-64.6-170.1175.5-1690114.5S72 K78S72-K74 VanDerWaalsContact C-N 3.32Å; S72-K74 PolarHBondContact O-N 2.73Å; K74-K78 WeakPolarHBondContact O-CB 3.29Å; K74-K78 PolarHBondContact O-N 3.23Å
75H89.4Confident87.9Confident61 Ų6179.1 Ų79.128%0.28240%0.397SS..Hα-helixtrans-83.2-38.9177.2-174.785.3000111.1S72 L73 K78 E79S72-H75 WeakPolarHBondContact O-CB 3.45Å; S72-H75 PolarHBondContact O-N 3.3Å; L73-H75 PolarHBondContact O-N 2.74Å; L73-H75 VanDerWaalsContact O-N 3.08Å; H75-K78 PolarHBondContact O-N 3.26Å; H75-E79 IonicContact CD2-OE2 2.95Å; H75-E79 PolarHBondContact CD2-OE2 3.4Å; H75-E79 IonicContact CE1-OE2 3.14Å; H75-E79 IonicContact NE2-OE2 3.07Å; H75-E79 PolarHBondContact NE2-OE2 2.84Å; H75-E79 WeakPolarHBondContact O-CB 3.26Å; H75-E79 PolarHBondContact O-N 3.49Å
76V91.3Very high87.9Confident2 Ų276.6 Ų76.61%0.01238%0.375CS..Hα-helixtrans-63.8-50.4174.5-177.70000110.7I58 V62 I71 S72 L73 K78 E79 W80 G81 F85I58-V76 HydrophobicContact CG2-CB 4.4Å; I58-V76 HydrophobicContact CG2-CG1 3.93Å; I58-V76 HydrophobicContact CG2-CG2 3.86Å; V62-V76 HydrophobicContact CG2-CG2 3.84Å; I71-V76 HydrophobicContact CG2-CG2 4.13Å; S72-V76 PolarHBondContact O-N 2.91Å; L73-V76 PolarHBondContact O-N 3.09Å; V76-K78 PolarHBondContact O-N 2.96Å; V76-E79 PolarHBondContact O-N 3.34Å; V76-E79 VanDerWaalsContact O-N 3.11Å; V76-W80 HydrophobicContact CG1-CB 4.36Å; V76-W80 PolarHBondContact O-N 2.99Å; V76-G81 PolarHBondContact O-N 3.45Å; V76-F85 HydrophobicContact CG1-CE2 3.97Å; V76-F85 HydrophobicContact CG1-CZ 4.35Å
77E90.4Very high87.8Confident94 Ų9472.6 Ų72.644%0.43936%0.361SS..Hα-helixtrans-51.5-38.4174.8-175.5-176.5172.700112.4L73 G81 L82L73-E77 VanDerWaalsContact O-CB 3.27Å; L73-E77 WeakPolarHBondContact O-CB 3.47Å; L73-E77 PolarHBondContact O-N 3.06Å; E77-G81 WeakPolarHBondContact O-CA 3.27Å; E77-G81 PolarHBondContact O-N 2.86Å; E77-L82 HydrophobicContact CB-CD2 4.23Å; E77-L82 HydrophobicContact CB-CG 4.24Å; E77-L82 HydrophobicContact CG-CD1 4.34Å; E77-L82 HydrophobicContact CG-CG 4.25Å
78K91.1Very high87.7Confident188 Ų18874.8 Ų74.882%0.81737%0.367SS*.Hα-helixtrans-80.4-30.4178.4-178.3174.6177.3-178.80114.7K74 H75 V76K74-K78 WeakPolarHBondContact O-CB 3.29Å; K74-K78 PolarHBondContact O-N 3.23Å; H75-K78 PolarHBondContact O-N 3.26Å; V76-K78 PolarHBondContact O-N 2.96Å
79E89.9Confident87.6Confident74 Ų7471.2 Ų71.235%0.34635%0.351SS..Hα-helixtrans-97.7-33.4-174.7-178.5-177.7166.900113.2R66 H75 V76R66-E79 IonicContact CZ-OE1 2.7Å; R66-E79 VanDerWaalsContact CZ-OE1 3.26Å; R66-E79 IonicContact CZ-OE2 2.66Å; R66-E79 IonicContact NE-OE1 2.75Å; R66-E79 PolarHBondContact NE-OE1 3.16Å; R66-E79 VanDerWaalsContact NE-OE1 3.15Å; R66-E79 IonicContact NE-OE2 3.34Å; R66-E79 PolarHBondContact NE-OE2 2.89Å; R66-E79 IonicContact NH1-OE2 3.28Å; R66-E79 IonicContact NH2-OE1 3.74Å; R66-E79 PolarHBondContact NH2-OE1 2.9Å; R66-E79 IonicContact NH2-OE2 2.69Å; R66-E79 PolarHBondContact NH2-OE2 2.95Å; H75-E79 IonicContact CD2-OE2 2.95Å; H75-E79 PolarHBondContact CD2-OE2 3.4Å; H75-E79 IonicContact CE1-OE2 3.14Å; H75-E79 IonicContact NE2-OE2 3.07Å; H75-E79 PolarHBondContact NE2-OE2 2.84Å; H75-E79 WeakPolarHBondContact O-CB 3.26Å; H75-E79 PolarHBondContact O-N 3.49Å; V76-E79 PolarHBondContact O-N 3.34Å; V76-E79 VanDerWaalsContact O-N 3.11Å
80W88.3Confident87.4Confident105 Ų10568.3 Ų68.340%0.39834%0.338SS..THydrogen-bonded Turntrans-126-12.1-171.6-57.784.9000113.6T61 A65 V76 F85T61-W80 HydrophobicContact CG2-CZ3 4.48Å; A65-W80 HydrophobicContact CB-CZ2 4.3Å; V76-W80 HydrophobicContact CG1-CB 4.36Å; V76-W80 PolarHBondContact O-N 2.99Å; W80-F85 HydrophobicContact CB-CE2 3.75Å; W80-F85 HydrophobicContact CB-CZ 4.09Å; W80-F85 HydrophobicContact CG-CE2 4.5Å; W80-F85 HydrophobicContact CG-CZ 4.39Å
81G89Confident86.9Confident28 Ų2865.6 Ų65.629%0.28933%0.33SS..  trans69.8-177.7-163.400000112.7V76 E77V76-G81 PolarHBondContact O-N 3.45Å; E77-G81 WeakPolarHBondContact O-CA 3.27Å; E77-G81 PolarHBondContact O-N 2.86Å
82L88.4Confident86.1Confident26 Ų2670.3 Ų70.314%0.13636%0.362CS..SBendtrans-108.2-23.5172.8-62-178.6000112.8L73 E77 F85 L86L73-L82 HydrophobicContact CD1-CD2 3.68Å; L73-L82 HydrophobicContact CG-CD2 4.27Å; E77-L82 HydrophobicContact CB-CD2 4.23Å; E77-L82 HydrophobicContact CB-CG 4.24Å; E77-L82 HydrophobicContact CG-CD1 4.34Å; E77-L82 HydrophobicContact CG-CG 4.25Å; L82-F85 PolarHBondContact O-N 3.47Å; L82-L86 HydrophobicContact CB-CD1 3.96Å; L82-L86 WeakPolarHBondContact O-CG 3.37Å; L82-L86 PolarHBondContact O-N 2.95Å
83E87.3Confident85.1Confident150 Ų15072.5 Ų72.570%0.70137%0.373SS*.G310 helixtrans-51-44.4178175.6178.3-158.600114F85 L86E83-F85 PolarHBondContact O-N 3.34Å; E83-L86 PolarHBondContact O-N 3Å
84P89.5Confident84.5Confident67 Ų6773.3 Ų73.344%0.43538%0.378SS..G310 helixtrans-66.5-5.1178.2-21.635.2000115.3H57H57-P84 PolarHBondContact CE1-O 3.09Å
85F91.4Very high84.1Confident4 Ų473.1 Ų73.12%0.01838%0.377CS..G310 helixtrans-118.1-8.2-176-53.5-83.4000113.8I37 A54 H57 I58 T61 V76 W80 L82 E83I37-F85 VanDerWaalsContact CD1-C 3.44Å; A54-F85 WeakPolarHBondContact CB-O 3.39Å; H57-F85 HydrophobicContact CB-CD1 4.37Å; H57-F85 AromaticContact CE1-CD1 3.64Å; H57-F85 AromaticContact CG-CD1 3.77Å; H57-F85 AromaticContact ND1-CD1 3.5Å; I58-F85 HydrophobicContact CB-CD1 4.24Å; I58-F85 HydrophobicContact CB-CE1 4.49Å; I58-F85 HydrophobicContact CD1-CB 4.03Å; I58-F85 HydrophobicContact CD1-CG 4.17Å; I58-F85 HydrophobicContact CG1-CB 3.67Å; I58-F85 HydrophobicContact CG1-CD1 3.4Å; I58-F85 HydrophobicContact CG1-CD2 3.96Å; I58-F85 HydrophobicContact CG1-CE1 3.98Å; I58-F85 HydrophobicContact CG1-CE2 4.46Å; I58-F85 HydrophobicContact CG1-CG 3.39Å; I58-F85 HydrophobicContact CG1-CZ 4.47Å; T61-F85 HydrophobicContact CG2-CE1 4.22Å; T61-F85 HydrophobicContact CG2-CZ 4.4Å; V76-F85 HydrophobicContact CG1-CE2 3.97Å; V76-F85 HydrophobicContact CG1-CZ 4.35Å; W80-F85 HydrophobicContact CB-CE2 3.75Å; W80-F85 HydrophobicContact CB-CZ 4.09Å; W80-F85 HydrophobicContact CG-CE2 4.5Å; W80-F85 HydrophobicContact CG-CZ 4.39Å; L82-F85 PolarHBondContact O-N 3.47Å; E83-F85 PolarHBondContact O-N 3.34Å
86L88.3Confident83.8Confident7 Ų776.2 Ų76.24%0.03739%0.392CS..SBendtrans-125130.6-173-59.7178.1000110.9A54 L82 E83 L90 L91 V99 L103A54-L86 HydrophobicContact CB-CD2 3.54Å; L82-L86 HydrophobicContact CB-CD1 3.96Å; L82-L86 WeakPolarHBondContact O-CG 3.37Å; L82-L86 PolarHBondContact O-N 2.95Å; E83-L86 PolarHBondContact O-N 3Å; L86-L90 HydrophobicContact CD2-CD2 3.89Å; L86-L91 HydrophobicContact CD1-CD2 4.28Å; L86-V99 HydrophobicContact CD1-CG1 4.11Å; L86-L103 HydrophobicContact CD2-CD1 4.13Å
87P84.9Confident83.5Confident8 Ų884.6 Ų84.65%0.05243%0.428CS..  trans-61.8144.9168.1-22.435.3000111.8V36 E39 T50 T89 L90V36-P87 HydrophobicContact CG1-CG 4.37Å; E39-P87 HydrophobicContact CG-CB 3.68Å; E39-P87 WeakPolarHBondContact OE1-CB 3.45Å; T50-P87 HydrophobicContact CG2-CG 3.68Å; P87-T89 VanDerWaalsContact C-N 3.29Å; P87-T89 PolarHBondContact O-N 3.02Å; P87-L90 WeakPolarHBondContact O-CB 3.46Å; P87-L90 PolarHBondContact O-N 3.26Å; P87-L90 VanDerWaalsContact O-N 3.11Å
88L78.4Confident83.4Confident126 Ų12684.4 Ų84.466%0.6643%0.43SS*.THydrogen-bonded Turntrans-62.3-33.9-170.7-63.1174.5000112.8E39 L90 P92E39-L88 PolarHBondContact OE1-N 2.97Å; L88-L90 PolarHBondContact O-N 3.4Å; L88-P92 VanDerWaalsContact O-CD 3.23Å; L88-P92 WeakPolarHBondContact O-CD 3.47Å
89T77.4Confident83.3Confident84 Ų8475.5 Ų75.552%0.51539%0.391SS..THydrogen-bonded Turntrans-69.3-14177.757.60000114.6E39 P87 T93E39-T89 VanDerWaalsContact OE1-CB 3.31Å; E39-T89 WeakPolarHBondContact OE1-CB 3.47Å; E39-T89 WeakPolarHBondContact OE1-CG2 3.13Å; E39-T89 PolarHBondContact OE1-N 3.15Å; E39-T89 PolarHBondContact OE1-OG1 3.1Å; E39-T89 WeakPolarHBondContact OE2-CG2 3.41Å; P87-T89 VanDerWaalsContact C-N 3.29Å; P87-T89 PolarHBondContact O-N 3.02Å; T89-T93 WeakPolarHBondContact O-CG2 3.41Å; T89-T93 PolarHBondContact O-OG1 3.15Å
90L76Confident83.3Confident6 Ų673.1 Ų73.13%0.03138%0.383CS..Hα-helixtrans-74.4-33.1-175.5-166.871.5000113.1T50 L51 L86 P87 L88 T93 V94T50-L90 HydrophobicContact CG2-CD1 4.13Å; T50-L90 HydrophobicContact CG2-CD2 4.2Å; L51-L90 HydrophobicContact CD2-CD2 4.05Å; L51-L90 HydrophobicContact CG-CD2 4.45Å; L86-L90 HydrophobicContact CD2-CD2 3.89Å; P87-L90 WeakPolarHBondContact O-CB 3.46Å; P87-L90 PolarHBondContact O-N 3.26Å; P87-L90 VanDerWaalsContact O-N 3.11Å; L88-L90 PolarHBondContact O-N 3.4Å; L90-T93 WeakPolarHBondContact CA-OG1 3.45Å; L90-T93 PolarHBondContact O-N 3.01Å; L90-T93 PolarHBondContact O-OG1 3.46Å; L90-T93 VanDerWaalsContact O-OG1 3.14Å; L90-V94 HydrophobicContact CD1-CG2 4.36Å; L90-V94 PolarHBondContact O-N 3.22Å
91L72.1Confident83.5Confident93 Ų9375.1 Ų75.149%0.48739%0.394SS..Hα-helixtrans-74.8-38.4-176.9-63.3175.9000113.4L86 T93L86-L91 HydrophobicContact CD1-CD2 4.28Å; L91-T93 VanDerWaalsContact C-N 3.33Å
92P72.1Confident83.7Confident114 Ų11475.8 Ų75.874%0.7440%0.395SS*.Hα-helixtrans-63.5-34.2168.7-25.635.3000113.9L88L88-P92 VanDerWaalsContact O-CD 3.23Å; L88-P92 WeakPolarHBondContact O-CD 3.47Å
93T69.1Low83.9Confident104 Ų10474.6 Ų74.664%0.63839%0.388SS*.Hα-helixtrans-87.4-27.5-172.252.90000114.1T89 L90 L91T89-T93 WeakPolarHBondContact O-CG2 3.41Å; T89-T93 PolarHBondContact O-OG1 3.15Å; L90-T93 WeakPolarHBondContact CA-OG1 3.45Å; L90-T93 PolarHBondContact O-N 3.01Å; L90-T93 PolarHBondContact O-OG1 3.46Å; L90-T93 VanDerWaalsContact O-OG1 3.14Å; L91-T93 VanDerWaalsContact C-N 3.33Å
94V79.3Confident84.2Confident25 Ų2569.3 Ų69.315%0.15237%0.368CS..SBendtrans-130.1123.6-179.3-172.50000111L90 E96 N98 V99L90-V94 HydrophobicContact CD1-CG2 4.36Å; L90-V94 PolarHBondContact O-N 3.22Å; V94-E96 PolarHBondContact O-N 3.19Å; V94-E96 VanDerWaalsContact O-N 3.11Å; V94-N98 HydrophobicContact CG1-CB 4.17Å; V94-V99 HydrophobicContact CB-CG2 3.81Å; V94-V99 HydrophobicContact CG1-CG2 3.71Å
95K82.8Confident84.3Confident170 Ų17072 Ų7274%0.73938%0.375SS*.  trans-48.7120.5174.6-67.1-176.4-179.8179.20110.7K97 N98 V99K95-K97 VanDerWaalsContact C-N 3.25Å; K95-K97 PolarHBondContact O-N 2.81Å; K95-N98 WeakPolarHBondContact O-CA 3.43Å; K95-N98 VanDerWaalsContact O-CB 3.31Å; K95-N98 WeakPolarHBondContact O-CB 3.5Å; K95-N98 PolarHBondContact O-N 3.22Å; K95-V99 PolarHBondContact O-N 3.14Å
96E83.8Confident84.4Confident125 Ų12573.2 Ų73.258%0.58438%0.381SS*.Hα-helixtrans-42.3-45-178.6-179.5-168.6-142.700114.1V94 N98 V99 C100V94-E96 PolarHBondContact O-N 3.19Å; V94-E96 VanDerWaalsContact O-N 3.11Å; E96-N98 PolarHBondContact O-N 3.37Å; E96-N98 VanDerWaalsContact O-N 3.17Å; E96-V99 WeakPolarHBondContact O-CB 3.18Å; E96-V99 PolarHBondContact O-N 3.45Å; E96-C100 PolarHBondContact O-N 2.91Å
97K84.6Confident84.6Confident178 Ų17873 Ų7377%0.77438%0.38SS*.Hα-helixtrans-57.2-32.2177.3-64.4-178-178.8177.70113.4K95 K101K95-K97 VanDerWaalsContact C-N 3.25Å; K95-K97 PolarHBondContact O-N 2.81Å; K97-K101 WeakPolarHBondContact O-CB 3.43Å; K97-K101 PolarHBondContact O-N 3.2Å
98N87.2Confident84.8Confident90 Ų9079.4 Ų79.448%0.48141%0.407SS..Hα-helixtrans-78.6-42.3175-65.5-7.3000111.2V94 K95 E96 C100 K101 S102V94-N98 HydrophobicContact CG1-CB 4.17Å; K95-N98 WeakPolarHBondContact O-CA 3.43Å; K95-N98 VanDerWaalsContact O-CB 3.31Å; K95-N98 WeakPolarHBondContact O-CB 3.5Å; K95-N98 PolarHBondContact O-N 3.22Å; E96-N98 PolarHBondContact O-N 3.37Å; E96-N98 VanDerWaalsContact O-N 3.17Å; N98-C100 PolarHBondContact O-N 3.37Å; N98-K101 PolarHBondContact O-N 3.14Å; N98-S102 WeakPolarHBondContact O-CB 3.45Å; N98-S102 PolarHBondContact O-N 3.16Å; N98-S102 PolarHBondContact O-OG 3.26Å
99V88.9Confident85.3Confident1 Ų176.8 Ų76.81%0.00640%0.396CS..Hα-helixtrans-52.7-55.2172.2172.10000109.8L51 L86 V94 K95 E96 K101 S102 L103L51-V99 HydrophobicContact CD2-CB 4.29Å; L51-V99 HydrophobicContact CD2-CG1 3.82Å; L51-V99 HydrophobicContact CD2-CG2 4.37Å; L86-V99 HydrophobicContact CD1-CG1 4.11Å; V94-V99 HydrophobicContact CB-CG2 3.81Å; V94-V99 HydrophobicContact CG1-CG2 3.71Å; K95-V99 PolarHBondContact O-N 3.14Å; E96-V99 WeakPolarHBondContact O-CB 3.18Å; E96-V99 PolarHBondContact O-N 3.45Å; V99-K101 VanDerWaalsContact C-N 3.32Å; V99-K101 PolarHBondContact O-N 2.94Å; V99-S102 PolarHBondContact O-N 3.41Å; V99-L103 HydrophobicContact CG1-CD1 3.74Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; V99-L103 WeakPolarHBondContact O-CB 3.47Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.38Å; V99-L103 PolarHBondContact O-N 2.87Å
100C90.5Very high85.8Confident25 Ų2573.4 Ų73.417%0.16938%0.375CS..Hα-helixtrans-65.4-31.4-178.7-66.90000113.2L73 E96 N98 S104L73-C100 HydrophobicContact CD2-CB 3.65Å; L73-C100 VanDerWaalsContact CD2-O 3.29Å; L73-C100 WeakPolarHBondContact CD2-O 3.28Å; E96-C100 PolarHBondContact O-N 2.91Å; N98-C100 PolarHBondContact O-N 3.37Å; C100-S104 WeakPolarHBondContact O-CB 3.49Å; C100-S104 PolarHBondContact O-N 3.24Å; C100-S104 PolarHBondContact O-OG 2.99Å
101K92.4Very high86.2Confident146 Ų14673.4 Ų73.464%0.63537%0.374SS*.Hα-helixtrans-66.6-49.1172-174.7-177.3178.2-173.90111.4K97 N98 V99 S104 Q105K97-K101 WeakPolarHBondContact O-CB 3.43Å; K97-K101 PolarHBondContact O-N 3.2Å; N98-K101 PolarHBondContact O-N 3.14Å; V99-K101 VanDerWaalsContact C-N 3.32Å; V99-K101 PolarHBondContact O-N 2.94Å; K101-S104 PolarHBondContact O-N 3.35Å; K101-Q105 PolarHBondContact O-N 3.03Å
102S92.6Very high86.6Confident43 Ų4373.9 Ų73.930%0.30137%0.374SS..Hα-helixtrans-65.6-46.4-179.3-64.70000112.2N98 V99 S104 Q105 L106N98-S102 WeakPolarHBondContact O-CB 3.45Å; N98-S102 PolarHBondContact O-N 3.16Å; N98-S102 PolarHBondContact O-OG 3.26Å; V99-S102 PolarHBondContact O-N 3.41Å; S102-S104 VanDerWaalsContact C-N 3.31Å; S102-S104 PolarHBondContact O-N 2.88Å; S102-Q105 WeakPolarHBondContact O-CB 3.28Å; S102-Q105 PolarHBondContact O-N 3.1Å; S102-Q105 VanDerWaalsContact O-N 3.07Å; S102-L106 WeakPolarHBondContact O-CG 3.05Å; S102-L106 PolarHBondContact O-N 2.94Å
103L93.6Very high86.6Confident0 Ų069.8 Ų69.80%035%0.347CS..Hα-helixtrans-58-44173.1-66.5175.1000111.1L51 A54 A55 I58 L73 L86 V99 Q105 L106 L107L51-L103 HydrophobicContact CD2-CD2 4.01Å; L51-L103 HydrophobicContact CD2-CG 4.05Å; A54-L103 HydrophobicContact CB-CD2 4.01Å; A55-L103 HydrophobicContact CB-CD2 3.92Å; I58-L103 HydrophobicContact CD1-CD1 4.43Å; L73-L103 HydrophobicContact CD1-CB 4.08Å; L73-L103 HydrophobicContact CD1-CD1 4.22Å; L73-L103 HydrophobicContact CD2-CB 4.04Å; L73-L103 HydrophobicContact CD2-CD1 4.48Å; L86-L103 HydrophobicContact CD2-CD1 4.13Å; V99-L103 HydrophobicContact CG1-CD1 3.74Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; V99-L103 WeakPolarHBondContact O-CB 3.47Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.38Å; V99-L103 PolarHBondContact O-N 2.87Å; L103-Q105 PolarHBondContact O-N 2.86Å; L103-L106 PolarHBondContact O-N 3.42Å; L103-L107 VanDerWaalsContact O-CB 3.29Å; L103-L107 WeakPolarHBondContact O-CB 3.42Å; L103-L107 VanDerWaalsContact O-CG 3.22Å; L103-L107 WeakPolarHBondContact O-CG 3.29Å; L103-L107 PolarHBondContact O-N 3.08Å
104S93.1Very high86.3Confident40 Ų4070.3 Ų70.328%0.2835%0.352SS..Hα-helixtrans-65.6-23.1176.6-65.20000114.2L73 C100 K101 S102 K108L73-S104 WeakPolarHBondContact CB-OG 3.48Å; C100-S104 WeakPolarHBondContact O-CB 3.49Å; C100-S104 PolarHBondContact O-N 3.24Å; C100-S104 PolarHBondContact O-OG 2.99Å; K101-S104 PolarHBondContact O-N 3.35Å; S102-S104 VanDerWaalsContact C-N 3.31Å; S102-S104 PolarHBondContact O-N 2.88Å; S104-K108 WeakPolarHBondContact O-CD 3.37Å; S104-K108 VanDerWaalsContact O-CG 3.29Å; S104-K108 WeakPolarHBondContact O-CG 3.36Å
105Q92.9Very high85.3Confident124 Ų12475.8 Ų75.858%0.57939%0.388SS*.Hα-helixtrans-81.1-50.6174-178.7170.5-23.700110.5K101 S102 L103 L107 K108 T109K101-Q105 PolarHBondContact O-N 3.03Å; S102-Q105 WeakPolarHBondContact O-CB 3.28Å; S102-Q105 PolarHBondContact O-N 3.1Å; S102-Q105 VanDerWaalsContact O-N 3.07Å; L103-Q105 PolarHBondContact O-N 2.86Å; Q105-L107 PolarHBondContact O-N 3.34Å; Q105-K108 WeakPolarHBondContact O-CB 3.39Å; Q105-K108 PolarHBondContact O-N 3.22Å; Q105-T109 PolarHBondContact O-N 3.44Å; Q105-T109 VanDerWaalsContact O-N 3.17Å; Q105-T109 PolarHBondContact O-OG1 2.91Å
106L92.4Very high84.1Confident28 Ų2871.4 Ų71.415%0.14738%0.379CS..Hα-helixtrans-59.5-43.8178.6-68.6166.5000112.3L51 R52 A55 S102 L103 K108 T109 Y110L51-L106 HydrophobicContact CB-CD1 4.29Å; R52-L106 HydrophobicContact CG-CD1 3.95Å; R52-L106 HydrophobicContact CG-CD2 3.83Å; A55-L106 HydrophobicContact CB-CB 3.55Å; A55-L106 HydrophobicContact CB-CD1 3.91Å; A55-L106 HydrophobicContact CB-CG 4.38Å; S102-L106 WeakPolarHBondContact O-CG 3.05Å; S102-L106 PolarHBondContact O-N 2.94Å; L103-L106 PolarHBondContact O-N 3.42Å; L106-K108 PolarHBondContact O-N 3.19Å; L106-T109 WeakPolarHBondContact O-CB 3.44Å; L106-T109 PolarHBondContact O-N 2.93Å; L106-Y110 HydrophobicContact CB-CE2 4.03Å; L106-Y110 WeakPolarHBondContact O-CD2 3.46Å; L106-Y110 PolarHBondContact O-N 3.35Å
107L92.3Very high83Confident3 Ų367.2 Ų67.22%0.01637%0.37CS..Hα-helixtrans-63.1-25.3175.9-72171.5000113.5A55 I58 I71 L73 L103 Q105 Q111A55-L107 HydrophobicContact CB-CG 4.48Å; A55-L107 VanDerWaalsContact O-CD2 3.27Å; A55-L107 WeakPolarHBondContact O-CD2 3.34Å; I58-L107 HydrophobicContact CB-CD2 4.13Å; I58-L107 HydrophobicContact CG2-CD1 3.93Å; I58-L107 HydrophobicContact CG2-CD2 3.82Å; I71-L107 HydrophobicContact CG2-CD1 4.44Å; I71-L107 HydrophobicContact CG2-CD2 4.31Å; L73-L107 HydrophobicContact CD1-CD1 4Å; L103-L107 VanDerWaalsContact O-CB 3.29Å; L103-L107 WeakPolarHBondContact O-CB 3.42Å; L103-L107 VanDerWaalsContact O-CG 3.22Å; L103-L107 WeakPolarHBondContact O-CG 3.29Å; L103-L107 PolarHBondContact O-N 3.08Å; Q105-L107 PolarHBondContact O-N 3.34Å; L107-Q111 VanDerWaalsContact O-CG 3.32Å; L107-Q111 WeakPolarHBondContact O-CG 3.31Å; L107-Q111 PolarHBondContact O-N 2.93Å; L107-Q111 PolarHBondContact O-NE2 3.45Å
108K90.2Very high82.2Confident143 Ų14364.6 Ų64.662%0.62236%0.364SS*.Hα-helixtrans-74.2-43.1170.9-70.5168.3-175.7178.90110.7S104 Q105 L106 Y110 Q111 H112S104-K108 WeakPolarHBondContact O-CD 3.37Å; S104-K108 VanDerWaalsContact O-CG 3.29Å; S104-K108 WeakPolarHBondContact O-CG 3.36Å; Q105-K108 WeakPolarHBondContact O-CB 3.39Å; Q105-K108 PolarHBondContact O-N 3.22Å; L106-K108 PolarHBondContact O-N 3.19Å; K108-Y110 PolarHBondContact O-N 3.16Å; K108-Q111 PolarHBondContact O-N 2.88Å; K108-H112 PolarHBondContact O-N 3.34Å
109T88.7Confident81.6Confident70 Ų7064.6 Ų64.643%0.42936%0.36SS..Hα-helixtrans-59.3-43.5178.3-49.60000112.2Q105 L106 Q111 H112 P113Q105-T109 PolarHBondContact O-N 3.44Å; Q105-T109 VanDerWaalsContact O-N 3.17Å; Q105-T109 PolarHBondContact O-OG1 2.91Å; L106-T109 WeakPolarHBondContact O-CB 3.44Å; L106-T109 PolarHBondContact O-N 2.93Å; T109-Q111 VanDerWaalsContact C-N 3.33Å; T109-Q111 PolarHBondContact O-N 3.47Å; T109-H112 CarbonylContact O-C 3.27Å; T109-H112 VanDerWaalsContact O-C 3.27Å; T109-H112 PolarHBondContact O-N 2.96Å; T109-P113 WeakPolarHBondContact O-CA 3.3Å; T109-P113 VanDerWaalsContact O-N 3.14Å
110Y87.4Confident81.1Confident14 Ų1465.4 Ų65.46%0.05537%0.365CS..Hα-helixtrans-71.8-24.1178.3-56.9-48.1000113.9A55 L56 Y59 L106 K108 V120A55-Y110 HydrophobicContact CB-CE2 3.88Å; L56-Y110 HydrophobicContact CD2-CD1 3.98Å; L56-Y110 HydrophobicContact CD2-CD2 4.05Å; L56-Y110 HydrophobicContact CD2-CE1 3.76Å; L56-Y110 HydrophobicContact CD2-CE2 3.83Å; L56-Y110 HydrophobicContact CD2-CG 4.15Å; L56-Y110 HydrophobicContact CG-CD2 4.4Å; L56-Y110 HydrophobicContact CG-CE1 4.18Å; L56-Y110 HydrophobicContact CG-CE2 3.74Å; Y59-Y110 PolarHBondContact OH-O 3.27Å; L106-Y110 HydrophobicContact CB-CE2 4.03Å; L106-Y110 WeakPolarHBondContact O-CD2 3.46Å; L106-Y110 PolarHBondContact O-N 3.35Å; K108-Y110 PolarHBondContact O-N 3.16Å; Y110-V120 WeakPolarHBondContact O-CG2 3.12Å; Y110-V120 PolarHBondContact O-N 3.32Å
111Q85.3Confident81.1Confident6 Ų668 Ų683%0.02838%0.381CS..Hα-helixtrans-78.8-29.2173.4-75.7176.494.300113.2Y59 I71 L107 K108 T109Y59-Q111 HydrophobicContact CD2-CG 4.36Å; Y59-Q111 HydrophobicContact CE2-CG 3.81Å; I71-Q111 PolarHBondContact O-NE2 3.06Å; L107-Q111 VanDerWaalsContact O-CG 3.32Å; L107-Q111 WeakPolarHBondContact O-CG 3.31Å; L107-Q111 PolarHBondContact O-N 2.93Å; L107-Q111 PolarHBondContact O-NE2 3.45Å; K108-Q111 PolarHBondContact O-N 2.88Å; T109-Q111 VanDerWaalsContact C-N 3.33Å; T109-Q111 PolarHBondContact O-N 3.47Å
112H79.4Confident80.9Confident103 Ų10363.2 Ų63.248%0.47737%0.365SS..SBendtrans-139.269.6-176.8-60.7-59.3000111.1K108 T109 P114K108-H112 PolarHBondContact O-N 3.34Å; T109-H112 CarbonylContact O-C 3.27Å; T109-H112 VanDerWaalsContact O-C 3.27Å; T109-H112 PolarHBondContact O-N 2.96Å; H112-P114 WeakPolarHBondContact O-CD 3.21Å
113P72.4Confident80.9Confident27 Ų2765.4 Ų65.418%0.17537%0.373CS..  trans-68128.8178.128.5-35.7000111.3T109 S116 G117 N118 V120T109-P113 WeakPolarHBondContact O-CA 3.3Å; T109-P113 VanDerWaalsContact O-N 3.14Å; P113-S116 PolarHBondContact O-N 3.2Å; P113-G117 PolarHBondContact O-N 3.27Å; P113-N118 WeakPolarHBondContact CD-O 3.27Å; P113-N118 WeakPolarHBondContact CG-O 3.33Å; P113-V120 HydrophobicContact CB-CG2 4.43Å; P113-V120 HydrophobicContact CG-CG2 3.96Å
114P62.3Low80.8Confident115 Ų11569.8 Ų69.875%0.74739%0.393SS*.THydrogen-bonded Turntrans-67.7146.8165.8-16.431.1000110.6H112H112-P114 WeakPolarHBondContact O-CD 3.21Å
115P58.6Low80.8Confident140 Ų14067.9 Ų67.991%0.90938%0.38SS*.THydrogen-bonded Turncis-90-9.3-3.636.2-35.4000113.9
116S57Low80.9Confident78 Ų7863.3 Ų63.355%0.54536%0.358SS..THydrogen-bonded Turntrans-88.2-10.5-162.755.70000115.7P113 N118P113-S116 PolarHBondContact O-N 3.2Å; S116-N118 PolarHBondContact O-N 3.33Å
117G61.2Low81Confident38 Ų3862.4 Ų62.439%0.39235%0.354SS..  trans70.2-21.1170.100000116.8P113P113-G117 PolarHBondContact O-N 3.27Å
118N67.8Low81.1Confident123 Ų12365.7 Ų65.766%0.65837%0.369SS*.SBendtrans-69.4136.5179.1-70.3-34.2000111.8P113 S116 V120P113-N118 WeakPolarHBondContact CD-O 3.27Å; P113-N118 WeakPolarHBondContact CG-O 3.33Å; S116-N118 PolarHBondContact O-N 3.33Å; N118-V120 PolarHBondContact O-N 3.05Å
119K73.8Confident81.4Confident89 Ų8959 Ų5939%0.38734%0.34SS..PPolyproline II helixtrans-52135.4175-61.1-171.5-171.7-173.40110.7P67 Q69 P121P67-K119 PolarHBondContact O-NZ 2.92Å; Q69-K119 PolarHBondContact O-NZ 2.75Å; Q69-K119 VanDerWaalsContact O-NZ 3.08Å; K119-P121 WeakPolarHBondContact O-CD 3.39Å
120V80.1Confident81.7Confident18 Ų1855.6 Ų55.611%0.10932%0.319CS..PPolyproline II helixtrans-61.7124.7173.1176.70000109.4Y59 Y110 P113 N118 Q124Y59-V120 HydrophobicContact CE1-CB 3.99Å; Y59-V120 HydrophobicContact CE1-CG1 4.43Å; Y59-V120 VanDerWaalsContact CE1-O 3.22Å; Y59-V120 WeakPolarHBondContact CE1-O 3.48Å; Y59-V120 PolarHBondContact OH-N 3.36Å; Y59-V120 VanDerWaalsContact OH-N 3.15Å; Y59-V120 PolarHBondContact OH-O 3.48Å; Y110-V120 WeakPolarHBondContact O-CG2 3.12Å; Y110-V120 PolarHBondContact O-N 3.32Å; P113-V120 HydrophobicContact CB-CG2 4.43Å; P113-V120 HydrophobicContact CG-CG2 3.96Å; N118-V120 PolarHBondContact O-N 3.05Å; V120-Q124 HydrophobicContact CG1-CB 3.85Å; V120-Q124 HydrophobicContact CG1-CG 3.87Å
121P88.8Confident81.9Confident79 Ų7959.9 Ų59.951%0.51334%0.335SS..PPolyproline II helixtrans-60.1145.3176.7-26.235.4000111.7K119 L123 Q124 G125K119-P121 WeakPolarHBondContact O-CD 3.39Å; P121-L123 PolarHBondContact O-N 3.24Å; P121-L123 VanDerWaalsContact O-N 3.13Å; P121-Q124 HydrophobicContact CB-CB 4.29Å; P121-Q124 HydrophobicContact CG-CB 4.48Å; P121-Q124 WeakPolarHBondContact O-CA 3.36Å; P121-Q124 WeakPolarHBondContact O-CB 3.25Å; P121-Q124 PolarHBondContact O-N 2.87Å; P121-G125 PolarHBondContact O-N 2.96Å
122P90.2Very high82.2Confident46 Ų4660.7 Ų60.730%0.29934%0.339SS..Hα-helixtrans-54.4-37.9-177.4-27.734.8000113.8G125 K126P122-G125 WeakPolarHBondContact O-CA 3.36Å; P122-G125 PolarHBondContact O-N 2.71Å; P122-K126 WeakPolarHBondContact O-CG 3.32Å; P122-K126 PolarHBondContact O-N 2.96Å
123L91.7Very high82.8Confident89 Ų8955.8 Ų55.847%0.46632%0.317SS..Hα-helixtrans-64.1-41.3175.4-175.661.7000112.7L18 F25 P121 G125 K126 L127L18-L123 HydrophobicContact CD1-CD1 3.89Å; L18-L123 HydrophobicContact CD1-CD2 4.35Å; L18-L123 HydrophobicContact CD1-CG 4.46Å; L18-L123 HydrophobicContact CD2-CD1 4.25Å; L18-L123 HydrophobicContact CD2-CG 4.25Å; F25-L123 HydrophobicContact CD1-CD1 4.5Å; F25-L123 HydrophobicContact CE1-CD1 4.15Å; P121-L123 PolarHBondContact O-N 3.24Å; P121-L123 VanDerWaalsContact O-N 3.13Å; L123-G125 VanDerWaalsContact C-N 3.28Å; L123-G125 PolarHBondContact O-N 3.4Å; L123-K126 PolarHBondContact O-N 2.88Å; L123-L127 PolarHBondContact O-N 3.35Å
124Q91.4Very high83.6Confident92 Ų9255.5 Ų55.543%0.4331%0.314SS..Hα-helixtrans-66.6-33.4174.1-174.367.11.500111.2V120 P121 L127 Q128V120-Q124 HydrophobicContact CG1-CB 3.85Å; V120-Q124 HydrophobicContact CG1-CG 3.87Å; P121-Q124 HydrophobicContact CB-CB 4.29Å; P121-Q124 HydrophobicContact CG-CB 4.48Å; P121-Q124 WeakPolarHBondContact O-CA 3.36Å; P121-Q124 WeakPolarHBondContact O-CB 3.25Å; P121-Q124 PolarHBondContact O-N 2.87Å; Q124-L127 PolarHBondContact O-N 2.69Å; Q124-Q128 WeakPolarHBondContact O-CB 3.34Å; Q124-Q128 PolarHBondContact O-N 3.44Å
125G93.3Very high84.6Confident0 Ų055.7 Ų55.70%031%0.309CS..Hα-helixtrans-61.1-46.3169.600000112.5P121 P122 L123 L127 Q128 Y129P121-G125 PolarHBondContact O-N 2.96Å; P122-G125 WeakPolarHBondContact O-CA 3.36Å; P122-G125 PolarHBondContact O-N 2.71Å; L123-G125 VanDerWaalsContact C-N 3.28Å; L123-G125 PolarHBondContact O-N 3.4Å; G125-L127 VanDerWaalsContact C-N 3.35Å; G125-L127 PolarHBondContact O-N 3.11Å; G125-Q128 PolarHBondContact O-N 3.04Å; G125-Y129 WeakPolarHBondContact O-CB 3.44Å; G125-Y129 PolarHBondContact O-N 3.13Å
126K95.6Very high85.8Confident28 Ų2850.4 Ų50.412%0.12227%0.273CS..Hα-helixtrans-60.6-42.8174.1-65179.8-167.9-172.70111.5F25 E26 Y29 I60 P122 L123 Q128 Y129 M130F25-K126 HydrophobicContact CE1-CB 3.95Å; F25-K126 HydrophobicContact CZ-CB 4.17Å; E26-K126 IonicContact OE1-NZ 2.73Å; E26-K126 PolarHBondContact OE1-NZ 2.8Å; E26-K126 VanDerWaalsContact OE2-CD 3.32Å; E26-K126 WeakPolarHBondContact OE2-CD 3.15Å; E26-K126 IonicContact OE2-NZ 2.66Å; E26-K126 PolarHBondContact OE2-NZ 3.08Å; Y29-K126 HydrophobicContact CD1-CD 3.7Å; Y29-K126 HydrophobicContact CD1-CG 3.93Å; Y29-K126 HydrophobicContact CD2-CB 4.02Å; Y29-K126 HydrophobicContact CD2-CG 4.06Å; Y29-K126 HydrophobicContact CE1-CD 3.88Å; Y29-K126 HydrophobicContact CE1-CG 3.85Å; Y29-K126 HydrophobicContact CE2-CB 4.28Å; Y29-K126 HydrophobicContact CE2-CG 3.99Å; Y29-K126 HydrophobicContact CG-CB 4.16Å; Y29-K126 HydrophobicContact CG-CD 4.13Å; Y29-K126 HydrophobicContact CG-CG 4.04Å; I60-K126 HydrophobicContact CD1-CG 3.97Å; I60-K126 HydrophobicContact CG1-CG 4.31Å; I60-K126 HydrophobicContact CG2-CD 4.35Å; I60-K126 HydrophobicContact CG2-CG 3.81Å; P122-K126 WeakPolarHBondContact O-CG 3.32Å; P122-K126 PolarHBondContact O-N 2.96Å; L123-K126 PolarHBondContact O-N 2.88Å; K126-Q128 PolarHBondContact O-N 2.86Å; K126-Y129 WeakPolarHBondContact O-CB 3.2Å; K126-Y129 PolarHBondContact O-N 3.01Å; K126-M130 WeakPolarHBondContact O-CG 3.32Å; K126-M130 PolarHBondContact O-N 3.03Å
127L94.6Very high86.5Confident10 Ų1047.3 Ų47.35%0.05225%0.251CS..Hα-helixtrans-64.7-38.8176.3-175.160.8000112.3P14 A15 L18 F25 L123 Q124 G125 M130 R131P14-L127 HydrophobicContact CB-CD1 4.22Å; A15-L127 HydrophobicContact CB-CD1 3.87Å; A15-L127 HydrophobicContact CB-CD2 4.16Å; L18-L127 HydrophobicContact CD2-CB 4.45Å; L18-L127 HydrophobicContact CD2-CD1 4.44Å; L18-L127 HydrophobicContact CD2-CD2 4.24Å; F25-L127 HydrophobicContact CE2-CD1 3.99Å; F25-L127 HydrophobicContact CZ-CB 4.26Å; F25-L127 HydrophobicContact CZ-CD1 4.26Å; L123-L127 PolarHBondContact O-N 3.35Å; Q124-L127 PolarHBondContact O-N 2.69Å; G125-L127 VanDerWaalsContact C-N 3.35Å; G125-L127 PolarHBondContact O-N 3.11Å; L127-M130 PolarHBondContact O-N 2.94Å; L127-R131 WeakPolarHBondContact O-CB 3.31Å; L127-R131 VanDerWaalsContact O-CG 3.31Å; L127-R131 WeakPolarHBondContact O-CG 3.37Å; L127-R131 PolarHBondContact O-N 3.1Å
128Q93.9Very high87Confident71 Ų7146.2 Ų46.233%0.33224%0.237SC..Hα-helixtrans-66.3-40.3174.3-171.1173.510.500112.2L56 Q124 G125 K126 R131 I132L56-Q128 HydrophobicContact CD1-CB 4.33Å; L56-Q128 HydrophobicContact CD1-CG 4.01Å; L56-Q128 HydrophobicContact CD2-CB 4.49Å; Q124-Q128 WeakPolarHBondContact O-CB 3.34Å; Q124-Q128 PolarHBondContact O-N 3.44Å; G125-Q128 PolarHBondContact O-N 3.04Å; K126-Q128 PolarHBondContact O-N 2.86Å; Q128-R131 PolarHBondContact O-N 3.01Å; Q128-I132 HydrophobicContact CG-CD1 4.31Å; Q128-I132 WeakPolarHBondContact O-CG1 3.48Å; Q128-I132 PolarHBondContact O-N 3.41Å
129Y95.4Very high87.7Confident2 Ų240.5 Ų40.51%0.00821%0.206CC..Hα-helixtrans-59.9-49.1174.3-175.5-84.3000110.9Y29 R33 L53 L56 H57 G125 K126 R131 I132 L133Y29-Y129 AromaticContact CD2-CD1 3.79Å; Y29-Y129 HydrophobicContact CD2-CD1 3.79Å; Y29-Y129 HydrophobicContact CD2-CE1 4.34Å; Y29-Y129 HydrophobicContact CD2-CG 4.34Å; Y29-Y129 AromaticContact CE2-CD1 3.63Å; Y29-Y129 HydrophobicContact CE2-CD1 3.63Å; Y29-Y129 HydrophobicContact CE2-CD2 4.44Å; Y29-Y129 HydrophobicContact CE2-CE1 4.1Å; Y29-Y129 AromaticContact CE2-CG 3.84Å; Y29-Y129 HydrophobicContact CE2-CG 3.84Å; R33-Y129 WeakPolarHBondContact CA-OH 3.4Å; R33-Y129 HydrophobicContact CB-CE1 4.19Å; L53-Y129 HydrophobicContact CB-CD2 4.29Å; L53-Y129 HydrophobicContact CB-CE2 3.75Å; L53-Y129 HydrophobicContact CD2-CD1 4.36Å; L53-Y129 HydrophobicContact CD2-CD2 3.69Å; L53-Y129 HydrophobicContact CD2-CE1 4.39Å; L53-Y129 HydrophobicContact CD2-CE2 3.72Å; L53-Y129 HydrophobicContact CD2-CG 4.01Å; L53-Y129 HydrophobicContact CG-CE2 4.32Å; L53-Y129 VanDerWaalsContact O-CE2 3.3Å; L53-Y129 WeakPolarHBondContact O-CE2 3.39Å; L56-Y129 HydrophobicContact CB-CD2 3.9Å; H57-Y129 HydrophobicContact CB-CE2 4.31Å; G125-Y129 WeakPolarHBondContact O-CB 3.44Å; G125-Y129 PolarHBondContact O-N 3.13Å; K126-Y129 WeakPolarHBondContact O-CB 3.2Å; K126-Y129 PolarHBondContact O-N 3.01Å; Y129-R131 VanDerWaalsContact C-N 3.31Å; Y129-R131 PolarHBondContact O-N 2.79Å; Y129-I132 PolarHBondContact O-N 3.04Å; Y129-L133 HydrophobicContact CD1-CD1 3.84Å; Y129-L133 HydrophobicContact CE1-CD1 3.45Å; Y129-L133 VanDerWaalsContact CE1-CD1 3.45Å; Y129-L133 HydrophobicContact CE1-CG 4.37Å; Y129-L133 PolarHBondContact O-N 3.19Å; Y129-L133 VanDerWaalsContact O-N 3.12Å
130M94.8Very high88.1Confident0 Ų036.6 Ų36.60%019%0.191CC..Hα-helixtrans-64.7-31.5177.5-70-56.1-58.400113.3P14 F25 L28 Y29 K126 L127 L133 N134 F139P14-M130 HydrophobicContact CB-CB 3.8Å; P14-M130 HydrophobicContact CG-CB 4Å; F25-M130 HydrophobicContact CE2-CB 4.27Å; F25-M130 HydrophobicContact CE2-CG 3.97Å; F25-M130 HydrophobicContact CZ-CG 4.05Å; L28-M130 HydrophobicContact CD2-CE 3.84Å; L28-M130 HydrophobicContact CG-CE 3.71Å; Y29-M130 HydrophobicContact CD2-CG 4.35Å; Y29-M130 HydrophobicContact CD2-SD 4.38Å; K126-M130 WeakPolarHBondContact O-CG 3.32Å; K126-M130 PolarHBondContact O-N 3.03Å; L127-M130 PolarHBondContact O-N 2.94Å; M130-L133 HydrophobicContact SD-CD1 4.43Å; M130-N134 WeakPolarHBondContact O-CB 3.36Å; M130-N134 PolarHBondContact O-N 2.89Å; M130-F139 HydrophobicContact CE-CE1 3.99Å; M130-F139 HydrophobicContact CE-CZ 3.72Å
131R92.6Very high88.5Confident103 Ų10336 Ų3639%0.38919%0.188SC..Hα-helixtrans-69.8-46.9173.9-78.5172.3173.3176.3-3.7112.6L127 Q128 Y129 L133 N134 D135L127-R131 WeakPolarHBondContact O-CB 3.31Å; L127-R131 VanDerWaalsContact O-CG 3.31Å; L127-R131 WeakPolarHBondContact O-CG 3.37Å; L127-R131 PolarHBondContact O-N 3.1Å; Q128-R131 PolarHBondContact O-N 3.01Å; Y129-R131 VanDerWaalsContact C-N 3.31Å; Y129-R131 PolarHBondContact O-N 2.79Å; R131-L133 PolarHBondContact O-N 3.39Å; R131-N134 CarbonylContact O-C 3.52Å; R131-N134 WeakPolarHBondContact O-CA 3.44Å; R131-N134 PolarHBondContact O-N 3.04Å; R131-D135 VanDerWaalsContact O-CG 3.29Å; R131-D135 PolarHBondContact O-N 3.2Å
132I92.3Very high88.5Confident23 Ų2333.5 Ų33.512%0.11817%0.17CC..Hα-helixtrans-58.7-35.1176-68.3169.7000111V49 R52 L53 L56 Q128 Y129V49-I132 HydrophobicContact CG1-CG2 3.97Å; R52-I132 HydrophobicContact CB-CD1 4.41Å; L53-I132 HydrophobicContact CD2-CB 4Å; L53-I132 HydrophobicContact CD2-CG2 3.74Å; L53-I132 HydrophobicContact CG-CG2 4.01Å; L56-I132 HydrophobicContact CD1-CD1 3.62Å; Q128-I132 HydrophobicContact CG-CD1 4.31Å; Q128-I132 WeakPolarHBondContact O-CG1 3.48Å; Q128-I132 PolarHBondContact O-N 3.41Å; Y129-I132 PolarHBondContact O-N 3.04Å
133L90.5Very high88.5Confident0 Ų033.4 Ų33.40%017%0.167CC..Hα-helixtrans-69-45.3170-72.9176.9000112.6V36 W45 L53 Y129 M130 R131 D135 L136 F139V36-L133 HydrophobicContact CG2-CD1 4.23Å; V36-L133 HydrophobicContact CG2-CD2 3.87Å; W45-L133 HydrophobicContact CH2-CD2 3.43Å; W45-L133 VanDerWaalsContact CH2-CD2 3.43Å; W45-L133 HydrophobicContact CZ2-CD2 4.47Å; W45-L133 HydrophobicContact CZ3-CD2 3.69Å; L53-L133 HydrophobicContact CD1-CD2 3.64Å; L53-L133 HydrophobicContact CD1-CG 4.29Å; L53-L133 HydrophobicContact CD2-CD2 4.22Å; L53-L133 HydrophobicContact CD2-CG 3.94Å; Y129-L133 HydrophobicContact CD1-CD1 3.84Å; Y129-L133 HydrophobicContact CE1-CD1 3.45Å; Y129-L133 VanDerWaalsContact CE1-CD1 3.45Å; Y129-L133 HydrophobicContact CE1-CG 4.37Å; Y129-L133 PolarHBondContact O-N 3.19Å; Y129-L133 VanDerWaalsContact O-N 3.12Å; M130-L133 HydrophobicContact SD-CD1 4.43Å; R131-L133 PolarHBondContact O-N 3.39Å; L133-D135 PolarHBondContact O-N 2.84Å; L133-L136 HydrophobicContact CD2-CD1 4.14Å; L133-L136 WeakPolarHBondContact O-CB 3.48Å; L133-L136 PolarHBondContact O-N 2.94Å; L133-F139 VanDerWaalsContact C-CD1 3.49Å; L133-F139 HydrophobicContact CB-CD1 3.87Å; L133-F139 HydrophobicContact CB-CD2 3.81Å; L133-F139 HydrophobicContact CB-CE1 3.77Å; L133-F139 HydrophobicContact CB-CE2 3.74Å; L133-F139 HydrophobicContact CB-CG 3.86Å; L133-F139 HydrophobicContact CB-CZ 3.69Å; L133-F139 HydrophobicContact CD1-CD2 4.41Å; L133-F139 HydrophobicContact CD1-CE2 3.73Å; L133-F139 HydrophobicContact CD1-CZ 3.92Å; L133-F139 HydrophobicContact CD2-CD2 4.2Å; L133-F139 HydrophobicContact CD2-CE2 4.31Å; L133-F139 HydrophobicContact CG-CD2 4.38Å; L133-F139 HydrophobicContact CG-CE2 4.15Å; L133-F139 HydrophobicContact CG-CZ 4.39Å; L133-F139 WeakPolarHBondContact O-CB 3.42Å; L133-F139 WeakPolarHBondContact O-CD1 3.49Å; L133-F139 VanDerWaalsContact O-CG 3.29Å; L133-F139 WeakPolarHBondContact O-CG 3.29Å
134N88.8Confident88.5Confident21 Ų2129.3 Ų29.311%0.11215%0.145CC..Hα-helixtrans-63.7-18.6178-157.147.9000114K12 P14 M130 R131 L136 F139 R163K12-N134 PolarHBondContact O-ND2 2.75Å; P14-N134 HydrophobicContact CG-CB 4.18Å; M130-N134 WeakPolarHBondContact O-CB 3.36Å; M130-N134 PolarHBondContact O-N 2.89Å; R131-N134 CarbonylContact O-C 3.52Å; R131-N134 WeakPolarHBondContact O-CA 3.44Å; R131-N134 PolarHBondContact O-N 3.04Å; N134-L136 VanDerWaalsContact C-N 3.27Å; N134-F139 HydrophobicContact CB-CD1 4.49Å; N134-R163 PolarHBondContact O-NE 3.21Å; N134-R163 PolarHBondContact O-NH1 3.43Å; N134-R163 PolarHBondContact O-NH2 2.79Å; N134-R163 VanDerWaalsContact O-NH2 3.08Å; N134-R163 PolarHBondContact OD1-NH1 2.88Å
135D85.1Confident88.5Confident120 Ų12029 Ų2964%0.64214%0.144SC*.THydrogen-bonded Turntrans-77-11.1172.1-62.9-29.9000112.9R131 L133R131-D135 VanDerWaalsContact O-CG 3.29Å; R131-D135 PolarHBondContact O-N 3.2Å; L133-D135 PolarHBondContact O-N 2.84Å
136L83.8Confident88.4Confident29 Ų2929.7 Ų29.715%0.15215%0.148CC..SBendtrans-87.9134.2177.9-55.8177.4000111.4W45 V49 L133 N134 F139 R163W45-L136 HydrophobicContact CD2-CD1 3.88Å; W45-L136 HydrophobicContact CE3-CD1 4.02Å; W45-L136 HydrophobicContact CH2-CD1 3.76Å; W45-L136 HydrophobicContact CZ2-CD1 3.59Å; W45-L136 HydrophobicContact CZ3-CD1 3.97Å; V49-L136 HydrophobicContact CG1-CD1 4.39Å; V49-L136 HydrophobicContact CG1-CD2 4.34Å; L133-L136 HydrophobicContact CD2-CD1 4.14Å; L133-L136 WeakPolarHBondContact O-CB 3.48Å; L133-L136 PolarHBondContact O-N 2.94Å; N134-L136 VanDerWaalsContact C-N 3.27Å; L136-F139 HydrophobicContact CB-CB 4.17Å; L136-F139 PolarHBondContact O-N 3.3Å; L136-R163 PolarHBondContact O-NH2 3.19Å
137P71.3Confident88Confident13 Ų1331 Ų318%0.08416%0.159CC..THydrogen-bonded Turntrans-56.4-46.3179.8-23.631.9000116.3F139 H164 N175P137-F139 PolarHBondContact O-N 2.95Å; P137-H164 PolarHBondContact O-CE1 3.38Å; P137-N175 HydrophobicContact CG-CB 3.6Å; P137-N175 WeakPolarHBondContact CG-ND2 3.31Å; P137-N175 VanDerWaalsContact CG-OD1 3.31Å; P137-N175 WeakPolarHBondContact CG-OD1 3.34Å
138P71.3Confident87.2Confident15 Ų1532.2 Ų32.210%0.09717%0.173CC..THydrogen-bonded Turntrans-71-16.7-179.232.4-40.1000112.3M43 G140 G141M43-P138 HydrophobicContact SD-CB 3.93Å; M43-P138 HydrophobicContact SD-CG 3.62Å; P138-G140 PolarHBondContact O-N 2.82Å; P138-G141 PolarHBondContact O-N 2.9Å; P138-G141 VanDerWaalsContact O-O 3.1Å
139F83.1Confident85.8Confident2 Ų233.9 Ų33.91%0.00918%0.184CC..THydrogen-bonded Turntrans-74.2122.5-170.2-172-97.4000112.2F10 S32 F41 M130 L133 N134 L136 P137 G141 R163F10-F139 AromaticContact CD1-CE1 3.96Å; F10-F139 HydrophobicContact CD1-CE1 3.96Å; F10-F139 HydrophobicContact CD1-CZ 4.19Å; F10-F139 HydrophobicContact CE1-CD1 4.5Å; F10-F139 AromaticContact CE1-CE1 3.83Å; F10-F139 HydrophobicContact CE1-CE1 3.83Å; F10-F139 HydrophobicContact CE1-CE2 4.05Å; F10-F139 AromaticContact CE1-CZ 3.58Å; F10-F139 HydrophobicContact CE1-CZ 3.58Å; S32-F139 WeakPolarHBondContact OG-CZ 3.47Å; F41-F139 AromaticContact CE1-CD2 3.87Å; F41-F139 HydrophobicContact CE1-CD2 3.87Å; F41-F139 HydrophobicContact CE1-CE2 4.34Å; F41-F139 AromaticContact CZ-CD2 3.84Å; F41-F139 HydrophobicContact CZ-CD2 3.84Å; F41-F139 AromaticContact CZ-CE2 3.91Å; F41-F139 HydrophobicContact CZ-CE2 3.91Å; M130-F139 HydrophobicContact CE-CE1 3.99Å; M130-F139 HydrophobicContact CE-CZ 3.72Å; L133-F139 VanDerWaalsContact C-CD1 3.49Å; L133-F139 HydrophobicContact CB-CD1 3.87Å; L133-F139 HydrophobicContact CB-CD2 3.81Å; L133-F139 HydrophobicContact CB-CE1 3.77Å; L133-F139 HydrophobicContact CB-CE2 3.74Å; L133-F139 HydrophobicContact CB-CG 3.86Å; L133-F139 HydrophobicContact CB-CZ 3.69Å; L133-F139 HydrophobicContact CD1-CD2 4.41Å; L133-F139 HydrophobicContact CD1-CE2 3.73Å; L133-F139 HydrophobicContact CD1-CZ 3.92Å; L133-F139 HydrophobicContact CD2-CD2 4.2Å; L133-F139 HydrophobicContact CD2-CE2 4.31Å; L133-F139 HydrophobicContact CG-CD2 4.38Å; L133-F139 HydrophobicContact CG-CE2 4.15Å; L133-F139 HydrophobicContact CG-CZ 4.39Å; L133-F139 WeakPolarHBondContact O-CB 3.42Å; L133-F139 WeakPolarHBondContact O-CD1 3.49Å; L133-F139 VanDerWaalsContact O-CG 3.29Å; L133-F139 WeakPolarHBondContact O-CG 3.29Å; N134-F139 HydrophobicContact CB-CD1 4.49Å; L136-F139 HydrophobicContact CB-CB 4.17Å; L136-F139 PolarHBondContact O-N 3.3Å; P137-F139 PolarHBondContact O-N 2.95Å; F139-G141 PolarHBondContact O-N 3.03Å; F139-R163 PolarHBondContact O-NH1 2.95Å
140G81.7Confident84Confident7 Ų738.5 Ų38.57%0.07221%0.209CC..THydrogen-bonded Turntrans74.70.4-171.500000114.5F10 P138 P162 Y230F10-G140 VanDerWaalsContact CD1-CA 3.49Å; P138-G140 PolarHBondContact O-N 2.82Å; G140-P162 WeakPolarHBondContact O-CD 3.48Å; G140-Y230 PolarHBondContact O-OH 2.86Å
141G87.6Confident82.2Confident5 Ų548 Ų485%0.05225%0.253CS..  trans-104.8164.9170.200000112.1P138 F139 V160P138-G141 PolarHBondContact O-N 2.9Å; P138-G141 VanDerWaalsContact O-O 3.1Å; F139-G141 PolarHBondContact O-N 3.03Å; G141-V160 CarbonylContact C-O 3.59Å; G141-V160 WeakPolarHBondContact CA-O 3.23Å
142I89Confident80.5Confident27 Ų2751.8 Ų51.814%0.13827%0.272CS..EExtended strand (participates in β ladder)trans-122137170.5-58.1-172.3000108.3F144 V160 L226 Y941I142-F144 HydrophobicContact CB-CD2 4.45Å; I142-F144 HydrophobicContact CB-CE2 3.71Å; I142-F144 HydrophobicContact CB-CZ 4.13Å; I142-F144 HydrophobicContact CG2-CD2 4.16Å; I142-F144 HydrophobicContact CG2-CE1 4.29Å; I142-F144 HydrophobicContact CG2-CE2 3.56Å; I142-F144 HydrophobicContact CG2-CZ 3.64Å; I142-V160 PolarHBondContact N-O 2.82Å; I142-V160 PolarHBondContact O-N 3.42Å; I142-L226 HydrophobicContact CB-CD2 3.91Å; I142-L226 HydrophobicContact CD1-CD1 4.12Å; I142-L226 HydrophobicContact CD1-CD2 4Å; I142-L226 HydrophobicContact CG1-CD2 4.05Å; I142-Y941 HydrophobicContact CD1-CD2 3.95Å; I142-Y941 HydrophobicContact CD1-CE2 4.05Å; I142-Y941 HydrophobicContact CG1-CD2 4.43Å; I142-Y941 HydrophobicContact CG1-CE2 4.03Å
143L90.4Very high79Confident45 Ų4556.1 Ų56.124%0.23629%0.292CS..EExtended strand (participates in β ladder)trans-93126.2176.3-68.7170.8000110.3T157 L158 L159 V169 L172L143-T157 HydrophobicContact CD2-CG2 3.92Å; L143-L158 WeakPolarHBondContact CA-O 3.4Å; L143-L159 HydrophobicContact CD2-CB 4Å; L143-L159 HydrophobicContact CD2-CD1 3.87Å; L143-L159 HydrophobicContact CD2-CG 4.48Å; L143-L159 HydrophobicContact CG-CD1 4.36Å; L143-V169 HydrophobicContact CD2-CG2 4.09Å; L143-L172 HydrophobicContact CD1-CD1 4.07Å; L143-L172 HydrophobicContact CD1-CD2 4.11Å; L143-L172 HydrophobicContact CD2-CD1 4.39Å; L143-L172 HydrophobicContact CD2-CD2 4.3Å
144F92.1Very high77.8Confident2 Ų260.6 Ų60.61%0.00932%0.324CS..EExtended strand (participates in β ladder)trans-118.9145.5177-64.7-87.5000109.2I142 T157 L158 V160 M215 D219 N222 F223 L226I142-F144 HydrophobicContact CB-CD2 4.45Å; I142-F144 HydrophobicContact CB-CE2 3.71Å; I142-F144 HydrophobicContact CB-CZ 4.13Å; I142-F144 HydrophobicContact CG2-CD2 4.16Å; I142-F144 HydrophobicContact CG2-CE1 4.29Å; I142-F144 HydrophobicContact CG2-CE2 3.56Å; I142-F144 HydrophobicContact CG2-CZ 3.64Å; F144-T157 WeakPolarHBondContact O-CA 3.39Å; F144-L158 HydrophobicContact CB-CB 4.44Å; F144-L158 PolarHBondContact N-O 3.01Å; F144-L158 PolarHBondContact O-N 3.04Å; F144-V160 HydrophobicContact CD2-CB 4.42Å; F144-V160 HydrophobicContact CD2-CG2 4.06Å; F144-V160 HydrophobicContact CE2-CB 4.13Å; F144-V160 HydrophobicContact CE2-CG2 4.14Å; F144-M215 HydrophobicContact CB-CE 3.69Å; F144-M215 HydrophobicContact CD1-CE 3.63Å; F144-M215 HydrophobicContact CG-CE 3.95Å; F144-D219 HydrophobicContact CD1-CB 4.44Å; F144-D219 WeakPolarHBondContact CE1-O 3.45Å; F144-N222 HydrophobicContact CE1-CB 3.95Å; F144-N222 HydrophobicContact CZ-CB 4.46Å; F144-F223 HydrophobicContact CB-CD2 4.24Å; F144-F223 HydrophobicContact CD1-CB 3.94Å; F144-F223 HydrophobicContact CD1-CD2 4.18Å; F144-F223 AromaticContact CD2-CD2 3.72Å; F144-F223 HydrophobicContact CD2-CD2 3.72Å; F144-F223 HydrophobicContact CD2-CE2 4.47Å; F144-F223 HydrophobicContact CE1-CB 3.74Å; F144-F223 HydrophobicContact CE1-CD2 4.47Å; F144-F223 HydrophobicContact CE2-CD2 4.03Å; F144-F223 HydrophobicContact CG-CB 4.41Å; F144-F223 AromaticContact CG-CD2 3.79Å; F144-F223 HydrophobicContact CG-CD2 3.79Å; F144-F223 HydrophobicContact CZ-CB 4.05Å; F144-F223 HydrophobicContact CZ-CD2 4.39Å; F144-L226 HydrophobicContact CE2-CD2 3.69Å; F144-L226 HydrophobicContact CZ-CD2 3.94Å
145H91.3Very high77.5Confident87 Ų8763 Ų6340%0.40335%0.347SS..EExtended strand (participates in β ladder)trans-114.2133.1179.1-54.4102.7000108.8R942H145-R942 PolarHBondContact ND1-NH1 3.02Å; H145-R942 VanDerWaalsContact ND1-NH1 3.15Å
146T91.2Very high77.6Confident13 Ų1359.2 Ų59.28%0.0833%0.327CS..PPolyproline II helixtrans-89.4143.1173.574.20000110.1A155 T156 L158 L213 L214 M215T146-A155 WeakPolarHBondContact O-CA 3.49Å; T146-A155 WeakPolarHBondContact O-CB 3.42Å; T146-T156 WeakPolarHBondContact CG2-OG1 3.48Å; T146-T156 PolarHBondContact N-O 2.87Å; T146-T156 PolarHBondContact OG1-N 3.48Å; T146-T156 PolarHBondContact OG1-OG1 3.43Å; T146-L158 HydrophobicContact CG2-CD1 4.1Å; T146-L158 HydrophobicContact CG2-CG 4.29Å; T146-L213 HydrophobicContact CG2-CB 4.35Å; T146-L213 HydrophobicContact CG2-CD2 4.1Å; T146-L214 CarbonylContact C-O 3.44Å; T146-L214 WeakPolarHBondContact CA-O 3.12Å; T146-L214 VanDerWaalsContact CB-O 3.27Å; T146-L214 WeakPolarHBondContact CB-O 3.4Å; T146-M215 HydrophobicContact CG2-CG 4.37Å
147V87.6Confident78Confident57 Ų5759.5 Ų59.535%0.34533%0.331SS..PPolyproline II helixtrans-68.8139.5165.2-172.80000107.7V198 L214V147-V198 HydrophobicContact CG2-CG1 4.12Å; V147-V198 HydrophobicContact CG2-CG2 4.45Å; V147-L214 HydrophobicContact CB-CB 3.94Å; V147-L214 PolarHBondContact N-O 3.04Å
148G77.8Confident79Confident35 Ų3559 Ų5936%0.36133%0.327SS..PPolyproline II helixtrans-73.1130.617200000110.3Q153G148-Q153 WeakPolarHBondContact CA-O 3.27Å
149L63.6Low80Confident106 Ų10658.3 Ų58.356%0.55532%0.322SS*.  trans-77.6-30.3-177.2-179.765.3000112.8Q153 L214L149-Q153 HydrophobicContact CB-CB 4.27Å; L149-L214 HydrophobicContact CB-CD1 4.48Å; L149-L214 HydrophobicContact CD1-CD1 3.6Å; L149-L214 HydrophobicContact CD1-CG 4.36Å
150D57.7Low80.5Confident99 Ų9958.2 Ų58.253%0.52932%0.322SS..SBendtrans-164.5168-171.3-172.918000108.8K152 Q153D150-K152 PolarHBondContact O-N 3.49Å; D150-Q153 CarbonylContact O-C 3.55Å; D150-Q153 PolarHBondContact O-N 2.88Å
151E58.6Low81Confident198 Ų19857.9 Ų57.993%0.92532%0.319SS*.THydrogen-bonded Turntrans-55.7-24.3176.8-70-164.6145.400113
152K55.9Low81.2Confident184 Ų18457.9 Ų57.980%0.832%0.318SS*.THydrogen-bonded Turntrans-86.1-10.4178.2-66.3166.1-173.3155.50114.1D150D150-K152 PolarHBondContact O-N 3.49Å
153Q60Low81.1Confident113 Ų11360.2 Ų60.253%0.52833%0.325SS..SBendtrans-122.682.8179.5-67.4-166.217.100110.5G148 L149 D150G148-Q153 WeakPolarHBondContact CA-O 3.27Å; L149-Q153 HydrophobicContact CB-CB 4.27Å; D150-Q153 CarbonylContact O-C 3.55Å; D150-Q153 PolarHBondContact O-N 2.88Å
154S66.9Low80.9Confident95 Ų9559.5 Ų59.566%0.66432%0.32SS*.  trans-53.9138.2173.257.30000111.9T156S154-T156 WeakPolarHBondContact O-CG2 3.47Å; S154-T156 PolarHBondContact O-N 3.3Å
155A81.5Confident80.9Confident72 Ų7259.8 Ų59.860%0.59532%0.324SS*.  trans-48.3125.317100000111.6T146T146-A155 WeakPolarHBondContact O-CA 3.49Å; T146-A155 WeakPolarHBondContact O-CB 3.42Å
156T87.8Confident81Confident39 Ų3955.7 Ų55.724%0.23931%0.305CS..  trans-104.5154.1-17768.40000111T146 S154T146-T156 WeakPolarHBondContact CG2-OG1 3.48Å; T146-T156 PolarHBondContact N-O 2.87Å; T146-T156 PolarHBondContact OG1-N 3.48Å; T146-T156 PolarHBondContact OG1-OG1 3.43Å; S154-T156 WeakPolarHBondContact O-CG2 3.47Å; S154-T156 PolarHBondContact O-N 3.3Å
157T91.7Very high81.1Confident36 Ų3655 Ų5522%0.22130%0.301CS..EExtended strand (participates in β ladder)trans-108.7125.6173-56.40000109.4L143 F144 H168 V169L143-T157 HydrophobicContact CD2-CG2 3.92Å; F144-T157 WeakPolarHBondContact O-CA 3.39Å; T157-H168 PolarHBondContact O-CD2 3.3Å; T157-V169 HydrophobicContact CG2-CB 4.24Å; T157-V169 HydrophobicContact CG2-CG2 4.13Å; T157-V169 WeakPolarHBondContact O-CB 3.42Å; T157-V169 PolarHBondContact O-N 2.86Å
158L92.9Very high81.3Confident2 Ų255 Ų551%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-107.9134.9178.2-59.3-178.6000110.5L143 F144 T146 S167 H168 L180 L213 F223L143-L158 WeakPolarHBondContact CA-O 3.4Å; F144-L158 HydrophobicContact CB-CB 4.44Å; F144-L158 PolarHBondContact N-O 3.01Å; F144-L158 PolarHBondContact O-N 3.04Å; T146-L158 HydrophobicContact CG2-CD1 4.1Å; T146-L158 HydrophobicContact CG2-CG 4.29Å; L158-S167 CarbonylContact C-O 3.59Å; L158-S167 WeakPolarHBondContact CA-O 3.5Å; L158-H168 HydrophobicContact CD2-CB 4.31Å; L158-L180 HydrophobicContact CD2-CD1 3.76Å; L158-L213 HydrophobicContact CD1-CD1 3.44Å; L158-L213 VanDerWaalsContact CD1-CD1 3.44Å; L158-L213 HydrophobicContact CD1-CD2 3.97Å; L158-L213 HydrophobicContact CD1-CG 4.34Å; L158-F223 HydrophobicContact CD1-CE2 3.82Å; L158-F223 HydrophobicContact CD1-CZ 4Å
159L92.8Very high81.9Confident0 Ų054.1 Ų54.10%029%0.285CS..EExtended strand (participates in β ladder)trans-108.2113172.3177.261.8000108.7L143 H164 S167 V169 T177L143-L159 HydrophobicContact CD2-CB 4Å; L143-L159 HydrophobicContact CD2-CD1 3.87Å; L143-L159 HydrophobicContact CD2-CG 4.48Å; L143-L159 HydrophobicContact CG-CD1 4.36Å; L159-H164 HydrophobicContact CD2-CB 4.39Å; L159-H164 HydrophobicContact CG-CB 4.45Å; L159-S167 PolarHBondContact N-O 3.31Å; L159-S167 PolarHBondContact O-N 2.9Å; L159-V169 HydrophobicContact CB-CG2 3.8Å; L159-T177 HydrophobicContact CD2-CG2 4.29Å
160V93.4Very high83.1Confident0 Ų053.9 Ų53.90%028%0.283CS..EExtended strand (participates in β ladder)trans-107.3122.6175.4-178.10000109.4G141 I142 F144 G165 I166 F183 F223 L226 I227G141-V160 CarbonylContact C-O 3.59Å; G141-V160 WeakPolarHBondContact CA-O 3.23Å; I142-V160 PolarHBondContact N-O 2.82Å; I142-V160 PolarHBondContact O-N 3.42Å; F144-V160 HydrophobicContact CD2-CB 4.42Å; F144-V160 HydrophobicContact CD2-CG2 4.06Å; F144-V160 HydrophobicContact CE2-CB 4.13Å; F144-V160 HydrophobicContact CE2-CG2 4.14Å; V160-G165 WeakPolarHBondContact CA-O 3.48Å; V160-I166 HydrophobicContact CG2-CG1 4.35Å; V160-I166 HydrophobicContact CG2-CG2 4.34Å; V160-F183 HydrophobicContact CG1-CE1 4.07Å; V160-F183 HydrophobicContact CG1-CZ 4.11Å; V160-F223 HydrophobicContact CG2-CD2 3.84Å; V160-F223 HydrophobicContact CG2-CE2 3.52Å; V160-F223 HydrophobicContact CG2-CZ 4.48Å; V160-L226 HydrophobicContact CB-CD2 3.83Å; V160-L226 HydrophobicContact CG1-CD2 3.68Å; V160-L226 HydrophobicContact CG1-CG 4.16Å; V160-I227 HydrophobicContact CG1-CG1 3.89Å
161G91.6Very high84.3Confident0 Ų051.4 Ų51.40%027%0.27CS..EExtended strand (participates in β ladder)trans-172.8169.1-178.100000114.4R163 H164 G165G161-R163 VanDerWaalsContact C-N 3.27Å; G161-R163 PolarHBondContact O-N 3.38Å; G161-H164 PolarHBondContact O-N 3.5Å; G161-H164 VanDerWaalsContact O-N 3.11Å; G161-G165 PolarHBondContact N-O 3.11Å; G161-G165 PolarHBondContact O-N 3.4Å
162P90.7Very high85.2Confident5 Ų544.1 Ų44.13%0.03224%0.237CC..THydrogen-bonded Turntrans-68.3-26-165.229.9-37000113.3F10 K12 G140 Y230 F234F10-P162 HydrophobicContact CB-CG 3.97Å; F10-P162 VanDerWaalsContact O-CB 3.29Å; F10-P162 WeakPolarHBondContact O-CB 3.15Å; F10-P162 WeakPolarHBondContact O-CG 3.39Å; K12-P162 VanDerWaalsContact CE-O 3.27Å; K12-P162 WeakPolarHBondContact CE-O 3.28Å; K12-P162 HydrophobicContact CG-CB 4.05Å; G140-P162 WeakPolarHBondContact O-CD 3.48Å; P162-Y230 HydrophobicContact CB-CE1 4Å; P162-Y230 HydrophobicContact CG-CE1 4.48Å; P162-F234 HydrophobicContact CB-CE2 3.74Å; P162-F234 HydrophobicContact CB-CZ 3.73Å
163R86.8Confident86.1Confident76 Ų7643 Ų4329%0.28723%0.232SC..THydrogen-bonded Turntrans-92.9-21176.1-51-168.2-49.3-78.5-3.4113.8N134 L136 F139 G161N134-R163 PolarHBondContact O-NE 3.21Å; N134-R163 PolarHBondContact O-NH1 3.43Å; N134-R163 PolarHBondContact O-NH2 2.79Å; N134-R163 VanDerWaalsContact O-NH2 3.08Å; N134-R163 PolarHBondContact OD1-NH1 2.88Å; L136-R163 PolarHBondContact O-NH2 3.19Å; F139-R163 PolarHBondContact O-NH1 2.95Å; G161-R163 VanDerWaalsContact C-N 3.27Å; G161-R163 PolarHBondContact O-N 3.38Å
164H87.6Confident86.9Confident30 Ų3043.4 Ų43.414%0.13924%0.238CC..THydrogen-bonded Turntrans-111-6.1-169.2-50.4119.1000113.6P137 L159 G161 I166 S167P137-H164 PolarHBondContact O-CE1 3.38Å; L159-H164 HydrophobicContact CD2-CB 4.39Å; L159-H164 HydrophobicContact CG-CB 4.45Å; G161-H164 PolarHBondContact O-N 3.5Å; G161-H164 VanDerWaalsContact O-N 3.11Å; H164-I166 CarbonylContact O-C 3.6Å; H164-I166 PolarHBondContact O-N 2.99Å; H164-S167 PolarHBondContact O-OG 3.11Å
165G91.5Very high87.2Confident9 Ų943.2 Ų43.29%0.09323%0.229CC..EExtended strand (participates in β ladder)trans60.6-130.8-171.500000110.3V160 G161V160-G165 WeakPolarHBondContact CA-O 3.48Å; G161-G165 PolarHBondContact N-O 3.11Å; G161-G165 PolarHBondContact O-N 3.4Å
166I94.2Very high87.4Confident0 Ų044.2 Ų44.20%022%0.224CC..EExtended strand (participates in β ladder)trans-99.3117.2156.3-54.7175.2000106.7V160 H164 L180 A181 I186 V203 L211 F223 I227V160-I166 HydrophobicContact CG2-CG1 4.35Å; V160-I166 HydrophobicContact CG2-CG2 4.34Å; H164-I166 CarbonylContact O-C 3.6Å; H164-I166 PolarHBondContact O-N 2.99Å; I166-L180 HydrophobicContact CG2-CB 4.48Å; I166-L180 HydrophobicContact CG2-CD1 4.4Å; I166-L180 PolarHBondContact O-N 2.92Å; I166-A181 HydrophobicContact CB-CB 4.44Å; I166-A181 HydrophobicContact CD1-CB 4.41Å; I166-A181 PolarHBondContact N-O 3.13Å; I166-A181 PolarHBondContact O-N 2.97Å; I166-A181 VanDerWaalsContact O-N 3.16Å; I166-I186 HydrophobicContact CD1-CD1 3.63Å; I166-I186 HydrophobicContact CG1-CD1 4.38Å; I166-V203 HydrophobicContact CD1-CG1 4.39Å; I166-L211 HydrophobicContact CG2-CD2 4.21Å; I166-F223 HydrophobicContact CD1-CZ 4.5Å; I166-F223 HydrophobicContact CG2-CZ 4.33Å; I166-I227 HydrophobicContact CD1-CD1 3.53Å; I166-I227 HydrophobicContact CD1-CG1 4.04Å; I166-I227 HydrophobicContact CD1-CG2 4.26Å; I166-I227 HydrophobicContact CG1-CD1 4.08Å; I166-I227 HydrophobicContact CG1-CG1 4.2Å
167S93.1Very high87.4Confident0 Ų044.4 Ų44.40%023%0.225CC..EExtended strand (participates in β ladder)trans-122.1142.9177.9-78.20000112.1L158 L159 H164 T178 V179L158-S167 CarbonylContact C-O 3.59Å; L158-S167 WeakPolarHBondContact CA-O 3.5Å; L159-S167 PolarHBondContact N-O 3.31Å; L159-S167 PolarHBondContact O-N 2.9Å; H164-S167 PolarHBondContact O-OG 3.11Å; S167-T178 CarbonylContact C-O 3.48Å; S167-T178 VanDerWaalsContact CA-O 3.28Å; S167-T178 WeakPolarHBondContact CA-O 3.16Å; S167-V179 WeakPolarHBondContact OG-CA 3.27Å
168H91.8Very high87.4Confident56 Ų5645.9 Ų45.926%0.25924%0.235SC..EExtended strand (participates in β ladder)trans-80.1138.8162.5-178.5-128.1000110.2T157 L158 T177 T178 L180T157-H168 PolarHBondContact O-CD2 3.3Å; L158-H168 HydrophobicContact CD2-CB 4.31Å; H168-T177 CarbonylContact O-C 3.56Å; H168-T177 VanDerWaalsContact O-CA 3.23Å; H168-T177 WeakPolarHBondContact O-CA 3.18Å; H168-T177 WeakPolarHBondContact O-CB 3.34Å; H168-T178 PolarHBondContact N-O 2.75Å; H168-T178 PolarHBondContact O-N 2.73Å; H168-L180 HydrophobicContact CB-CD1 4.15Å; H168-L180 HydrophobicContact CB-CD2 4.04Å; H168-L180 HydrophobicContact CB-CG 4.14Å
169V90.6Very high87.3Confident17 Ų1749.8 Ų49.810%0.10326%0.258CS..EExtended strand (participates in β ladder)trans-93.3122.8176.8174.20000109.8L143 T157 L159 L172 T177L143-V169 HydrophobicContact CD2-CG2 4.09Å; T157-V169 HydrophobicContact CG2-CB 4.24Å; T157-V169 HydrophobicContact CG2-CG2 4.13Å; T157-V169 WeakPolarHBondContact O-CB 3.42Å; T157-V169 PolarHBondContact O-N 2.86Å; L159-V169 HydrophobicContact CB-CG2 3.8Å; V169-L172 HydrophobicContact CG1-CB 4.4Å; V169-L172 HydrophobicContact CG1-CD1 3.86Å; V169-L172 HydrophobicContact CG1-CG 3.62Å; V169-T177 HydrophobicContact CG2-CG2 4.26Å
170I88.2Confident87.3Confident100 Ų10053.2 Ų53.251%0.51328%0.276SS..EExtended strand (participates in β ladder)trans-97-45.8170.4-56.9175.4000109.8L176 T178I170-L176 HydrophobicContact CB-CB 4.46Å; I170-L176 HydrophobicContact CB-CD2 4.05Å; I170-L176 HydrophobicContact CB-CG 4.02Å; I170-L176 HydrophobicContact CD1-CD2 4.48Å; I170-L176 HydrophobicContact CD1-CG 4.35Å; I170-L176 HydrophobicContact CG2-CD2 3.79Å; I170-L176 HydrophobicContact CG2-CG 4.33Å; I170-L176 PolarHBondContact N-O 3.46Å; I170-T178 WeakPolarHBondContact CD1-OG1 3.37Å
171D82.4Confident87.3Confident48 Ų4853.4 Ų53.426%0.25728%0.278SS..EExtended strand (participates in β ladder)trans-150.2110.6175.3-176.8-2.8000112.1K173 N174 N175 L176D171-K173 VanDerWaalsContact C-N 3.31Å; D171-K173 PolarHBondContact O-N 3.43Å; D171-K173 WeakPolarHBondContact OD1-CA 3.28Å; D171-K173 WeakPolarHBondContact OD1-CB 3.37Å; D171-K173 PolarHBondContact OD1-N 3.16Å; D171-N174 HydrophobicContact CB-CB 4.44Å; D171-N174 PolarHBondContact OD1-N 3.29Å; D171-N174 WeakPolarHBondContact OD2-CB 3.23Å; D171-N174 PolarHBondContact OD2-ND2 3.32Å; D171-N175 PolarHBondContact O-N 3.17Å; D171-N175 VanDerWaalsContact O-N 3.12Å; D171-L176 HydrophobicContact CB-CB 4.14Å; D171-L176 PolarHBondContact N-O 3.34Å; D171-L176 PolarHBondContact O-N 3.42Å
172L77.4Confident87.4Confident44 Ų4457.6 Ų57.623%0.2330%0.297CS..THydrogen-bonded Turntrans-64.6-26.5175.6-92.4150.3000114.3M43 L143 V169M43-L172 HydrophobicContact CE-CB 3.89Å; M43-L172 HydrophobicContact CE-CD2 3.79Å; M43-L172 HydrophobicContact CE-CG 4.41Å; M43-L172 HydrophobicContact SD-CD2 3.77Å; L143-L172 HydrophobicContact CD1-CD1 4.07Å; L143-L172 HydrophobicContact CD1-CD2 4.11Å; L143-L172 HydrophobicContact CD2-CD1 4.39Å; L143-L172 HydrophobicContact CD2-CD2 4.3Å; V169-L172 HydrophobicContact CG1-CB 4.4Å; V169-L172 HydrophobicContact CG1-CD1 3.86Å; V169-L172 HydrophobicContact CG1-CG 3.62Å
173K75.3Confident87.6Confident160 Ų16057.8 Ų57.870%0.69630%0.298SS*.THydrogen-bonded Turntrans-82.3-29.5-177.1-62.1-178.6177.3-179.50112.6D171D171-K173 VanDerWaalsContact C-N 3.31Å; D171-K173 PolarHBondContact O-N 3.43Å; D171-K173 WeakPolarHBondContact OD1-CA 3.28Å; D171-K173 WeakPolarHBondContact OD1-CB 3.37Å; D171-K173 PolarHBondContact OD1-N 3.16Å
174N76Confident87.9Confident122 Ų12257.5 Ų57.565%0.65231%0.307SS*.THydrogen-bonded Turntrans-105.411.6176.9-70.5-51.8000113.4D171 L176D171-N174 HydrophobicContact CB-CB 4.44Å; D171-N174 PolarHBondContact OD1-N 3.29Å; D171-N174 WeakPolarHBondContact OD2-CB 3.23Å; D171-N174 PolarHBondContact OD2-ND2 3.32Å; N174-L176 PolarHBondContact O-N 3.34Å
175N74.2Confident88.2Confident91 Ų9162.3 Ų62.349%0.48732%0.324SS..THydrogen-bonded Turntrans5925.8178.9-52.99.1000113.6P137 D171 T177P137-N175 HydrophobicContact CG-CB 3.6Å; P137-N175 WeakPolarHBondContact CG-ND2 3.31Å; P137-N175 VanDerWaalsContact CG-OD1 3.31Å; P137-N175 WeakPolarHBondContact CG-OD1 3.34Å; D171-N175 PolarHBondContact O-N 3.17Å; D171-N175 VanDerWaalsContact O-N 3.12Å; N175-T177 PolarHBondContact O-N 3.17Å
176L85.2Confident88.3Confident93 Ų9361.9 Ų61.949%0.48732%0.32SS..EExtended strand (participates in β ladder)trans-88.9106-174.6-172.464.1000110.2I170 D171 N174I170-L176 HydrophobicContact CB-CB 4.46Å; I170-L176 HydrophobicContact CB-CD2 4.05Å; I170-L176 HydrophobicContact CB-CG 4.02Å; I170-L176 HydrophobicContact CD1-CD2 4.48Å; I170-L176 HydrophobicContact CD1-CG 4.35Å; I170-L176 HydrophobicContact CG2-CD2 3.79Å; I170-L176 HydrophobicContact CG2-CG 4.33Å; I170-L176 PolarHBondContact N-O 3.46Å; D171-L176 HydrophobicContact CB-CB 4.14Å; D171-L176 PolarHBondContact N-O 3.34Å; D171-L176 PolarHBondContact O-N 3.42Å; N174-L176 PolarHBondContact O-N 3.34Å
177T88.6Confident88.2Confident43 Ų4363.5 Ų63.526%0.26433%0.331SS..EExtended strand (participates in β ladder)trans-130.9155.3177.463.50000111L159 H168 V169 N175L159-T177 HydrophobicContact CD2-CG2 4.29Å; H168-T177 CarbonylContact O-C 3.56Å; H168-T177 VanDerWaalsContact O-CA 3.23Å; H168-T177 WeakPolarHBondContact O-CA 3.18Å; H168-T177 WeakPolarHBondContact O-CB 3.34Å; V169-T177 HydrophobicContact CG2-CG2 4.26Å; N175-T177 PolarHBondContact O-N 3.17Å
178T90.9Very high88.2Confident68 Ų6868.2 Ų68.242%0.41735%0.352SS..EExtended strand (participates in β ladder)trans-119.6118175.9-58.70000108.8S167 H168 I170 L180S167-T178 CarbonylContact C-O 3.48Å; S167-T178 VanDerWaalsContact CA-O 3.28Å; S167-T178 WeakPolarHBondContact CA-O 3.16Å; H168-T178 PolarHBondContact N-O 2.75Å; H168-T178 PolarHBondContact O-N 2.73Å; I170-T178 WeakPolarHBondContact CD1-OG1 3.37Å; T178-L180 PolarHBondContact O-N 3.15Å
179V91.8Very high88.4Confident84 Ų8465.7 Ų65.751%0.50934%0.34SS..EExtended strand (participates in β ladder)trans-65.5123.5176.6-175.70000109.1S167S167-V179 WeakPolarHBondContact OG-CA 3.27Å
180L92.6Very high88.5Confident71 Ų7166.8 Ų66.837%0.37234%0.344SS..EExtended strand (participates in β ladder)trans-91-42.6174.8-58-179.2000110.9L158 I166 H168 T178 L211L158-L180 HydrophobicContact CD2-CD1 3.76Å; I166-L180 HydrophobicContact CG2-CB 4.48Å; I166-L180 HydrophobicContact CG2-CD1 4.4Å; I166-L180 PolarHBondContact O-N 2.92Å; H168-L180 HydrophobicContact CB-CD1 4.15Å; H168-L180 HydrophobicContact CB-CD2 4.04Å; H168-L180 HydrophobicContact CB-CG 4.14Å; T178-L180 PolarHBondContact O-N 3.15Å; L180-L211 HydrophobicContact CB-CD2 4.47Å; L180-L211 HydrophobicContact CD1-CD1 4.08Å; L180-L211 HydrophobicContact CD1-CD2 3.86Å
181A93.9Very high88.7Confident4 Ų464 Ų643%0.03333%0.33CS..EExtended strand (participates in β ladder)trans-152.4140.8179.300000112.3I166 I186 I205I166-A181 HydrophobicContact CB-CB 4.44Å; I166-A181 HydrophobicContact CD1-CB 4.41Å; I166-A181 PolarHBondContact N-O 3.13Å; I166-A181 PolarHBondContact O-N 2.97Å; I166-A181 VanDerWaalsContact O-N 3.16Å; A181-I186 HydrophobicContact CB-CG1 4.46Å; A181-I205 HydrophobicContact CB-CD1 3.91Å; A181-I205 HydrophobicContact CB-CG1 4.28Å
182E93.5Very high89.1Confident89 Ų8965.2 Ų65.242%0.41633%0.331SS..  trans-86.3144.8164-60174.8116.500109.4S184 R185E182-S184 PolarHBondContact O-N 3.09Å; E182-S184 VanDerWaalsContact O-N 3.14Å; E182-R185 HydrophobicContact CB-CG 4.37Å; E182-R185 PolarHBondContact O-N 3.24Å; E182-R185 IonicContact OE2-CZ 2.92Å; E182-R185 VanDerWaalsContact OE2-CZ 3.26Å; E182-R185 IonicContact OE2-NE 3.48Å; E182-R185 PolarHBondContact OE2-NE 2.97Å; E182-R185 IonicContact OE2-NH2 3.27Å; E182-R185 PolarHBondContact OE2-NH2 3.32Å
183F94Very high89.6Confident9 Ų970.7 Ų70.74%0.03935%0.349CS..G310 helixtrans-55.2-35.7-178.7-57.8-64.7000113.1V160 R185 I186 I227 Y230 Y231 F234 V235V160-F183 HydrophobicContact CG1-CE1 4.07Å; V160-F183 HydrophobicContact CG1-CZ 4.11Å; F183-R185 PolarHBondContact O-N 3.06Å; F183-I186 HydrophobicContact CD1-CD1 4.25Å; F183-I186 PolarHBondContact O-N 2.69Å; F183-I186 VanDerWaalsContact O-N 3.16Å; F183-I227 HydrophobicContact CD1-CG2 4.1Å; F183-I227 HydrophobicContact CE1-CG1 4.46Å; F183-I227 HydrophobicContact CE1-CG2 4.32Å; F183-Y230 HydrophobicContact CE1-CD2 4.17Å; F183-Y230 HydrophobicContact CE1-CG 4.29Å; F183-Y230 HydrophobicContact CE2-CD2 4.32Å; F183-Y230 HydrophobicContact CE2-CG 4.05Å; F183-Y230 AromaticContact CZ-CD2 3.72Å; F183-Y230 HydrophobicContact CZ-CD2 3.72Å; F183-Y230 AromaticContact CZ-CG 3.85Å; F183-Y230 HydrophobicContact CZ-CG 3.85Å; F183-Y231 WeakPolarHBondContact O-CD2 3.47Å; F183-Y231 WeakPolarHBondContact O-CE2 3.45Å; F183-F234 HydrophobicContact CD2-CD2 4.05Å; F183-F234 HydrophobicContact CE2-CD2 4.43Å; F183-V235 HydrophobicContact CB-CG2 4.18Å
184S93.3Very high90.1Very high69 Ų6968.1 Ų68.148%0.48334%0.339SS..G310 helixtrans-56.6-28.6175.644.80000114.4E182E182-S184 PolarHBondContact O-N 3.09Å; E182-S184 VanDerWaalsContact O-N 3.14Å
185R93.6Very high90.4Very high132 Ų13265.4 Ų65.450%0.49833%0.33SS..G310 helixtrans-89.4-6.2-177.8-55.3-176.4-166.9-130.61113.3E182 F183 S187 I205 H206E182-R185 HydrophobicContact CB-CG 4.37Å; E182-R185 PolarHBondContact O-N 3.24Å; E182-R185 IonicContact OE2-CZ 2.92Å; E182-R185 VanDerWaalsContact OE2-CZ 3.26Å; E182-R185 IonicContact OE2-NE 3.48Å; E182-R185 PolarHBondContact OE2-NE 2.97Å; E182-R185 IonicContact OE2-NH2 3.27Å; E182-R185 PolarHBondContact OE2-NH2 3.32Å; F183-R185 PolarHBondContact O-N 3.06Å; R185-S187 PolarHBondContact O-N 2.97Å; R185-I205 HydrophobicContact CB-CG2 3.9Å; R185-I205 CarbonylContact O-C 3.56Å; R185-I205 WeakPolarHBondContact O-CA 3.38Å; R185-H206 PolarHBondContact O-CD2 3.41Å; R185-H206 PolarHBondContact O-N 3.01Å
186I94Very high90.7Very high0 Ų070.1 Ų70.10%035%0.349CS..EExtended strand (participates in β ladder)trans-82.8120.4-174.5-57.7176.9000109.3I166 A181 F183 I189 V203 I227 Y231 I241I166-I186 HydrophobicContact CD1-CD1 3.63Å; I166-I186 HydrophobicContact CG1-CD1 4.38Å; A181-I186 HydrophobicContact CB-CG1 4.46Å; F183-I186 HydrophobicContact CD1-CD1 4.25Å; F183-I186 PolarHBondContact O-N 2.69Å; F183-I186 VanDerWaalsContact O-N 3.16Å; I186-I189 HydrophobicContact CG2-CG1 4.15Å; I186-V203 HydrophobicContact CD1-CG1 4.2Å; I186-V203 HydrophobicContact CG1-CG1 4.19Å; I186-V203 HydrophobicContact CG2-CG1 3.65Å; I186-I227 HydrophobicContact CD1-CG2 3.35Å; I186-Y231 WeakPolarHBondContact O-CE2 3.48Å; I186-I241 HydrophobicContact CB-CD1 4.21Å; I186-I241 HydrophobicContact CG2-CD1 3.64Å
187S92.1Very high90.6Very high34 Ų3468 Ų6824%0.23835%0.349CS..EExtended strand (participates in β ladder)trans-91-37.2-177.566.80000112.6R185 S204 H206 R239R185-S187 PolarHBondContact O-N 2.97Å; S187-S204 PolarHBondContact N-O 2.91Å; S187-S204 WeakPolarHBondContact OG-CB 3.44Å; S187-S204 PolarHBondContact OG-O 3.45Å; S187-H206 VanDerWaalsContact CB-NE2 3.28Å; S187-H206 WeakPolarHBondContact CB-NE2 3.45Å; S187-R239 PolarHBondContact O-NH2 2.88Å
188K93.3Very high90.7Very high99 Ų9967.2 Ų67.243%0.4335%0.345SS..EExtended strand (participates in β ladder)trans-159.4154-173.9-162.5-176.9-173.9-170.90110.9Q190 S204 I241K188-Q190 HydrophobicContact CD-CG 4.1Å; K188-Q190 HydrophobicContact CG-CG 4.27Å; K188-S204 PolarHBondContact O-N 3.44Å; K188-I241 CarbonylContact C-O 3.46Å; K188-I241 WeakPolarHBondContact CA-O 3.46Å
189I94.8Very high90.7Very high3 Ų364 Ų642%0.01533%0.325CS..EExtended strand (participates in β ladder)trans-128.3133167-51.2176.4000108.4I186 V201 E202 V203 A224 I227 I241 Y242I186-I189 HydrophobicContact CG2-CG1 4.15Å; I189-V201 HydrophobicContact CG2-CG1 4.21Å; I189-E202 WeakPolarHBondContact CA-O 3.49Å; I189-V203 HydrophobicContact CG1-CG1 4.44Å; I189-V203 HydrophobicContact CG2-CG2 4.36Å; I189-A224 HydrophobicContact CG2-CB 3.89Å; I189-I227 HydrophobicContact CD1-CB 3.7Å; I189-I227 HydrophobicContact CD1-CD1 4.46Å; I189-I227 HydrophobicContact CD1-CG2 3.57Å; I189-I241 HydrophobicContact CD1-CD1 3.79Å; I189-I241 HydrophobicContact CD1-CG1 4.32Å; I189-I241 HydrophobicContact CG1-CD1 4.06Å; I189-I241 HydrophobicContact CG1-CG1 4.46Å; I189-I241 PolarHBondContact N-O 3.24Å; I189-Y242 HydrophobicContact CB-CD2 4.39Å; I189-Y242 HydrophobicContact CG2-CD2 4.45Å
190Q92.6Very high90.8Very high39 Ų3964 Ų6418%0.18232%0.316CS..EExtended strand (participates in β ladder)trans-125.5147.5173.6-61.4-169.3-124.500110.5K188 Y192 E202K188-Q190 HydrophobicContact CD-CG 4.1Å; K188-Q190 HydrophobicContact CG-CG 4.27Å; Q190-Y192 HydrophobicContact CB-CE2 3.71Å; Q190-Y192 PolarHBondContact NE2-OH 3.3Å; Q190-E202 PolarHBondContact N-O 3.35Å; Q190-E202 PolarHBondContact O-N 2.89Å
191L92.8Very high90.8Very high43 Ų4360.7 Ų60.723%0.22530%0.299CS..EExtended strand (participates in β ladder)trans-120132.6172.3-64-175.9000108.6R200 V201 A220 A224 Y242L191-R200 WeakPolarHBondContact CA-O 3.38Å; L191-V201 HydrophobicContact CD2-CB 4.06Å; L191-V201 HydrophobicContact CD2-CG1 3.88Å; L191-V201 HydrophobicContact CD2-CG2 3.7Å; L191-A220 HydrophobicContact CD2-CB 4.16Å; L191-A224 HydrophobicContact CD1-CB 4.19Å; L191-A224 HydrophobicContact CD2-CB 4.27Å; L191-A224 HydrophobicContact CG-CB 4.32Å; L191-Y242 HydrophobicContact CD1-CE2 4.05Å; L191-Y242 VanDerWaalsContact CD1-OH 3.32Å; L191-Y242 WeakPolarHBondContact CD1-OH 3.32Å; L191-Y242 HydrophobicContact CG-CE2 4.06Å
192Y90.4Very high90.8Very high72 Ų7262.1 Ų62.128%0.28231%0.305SS..EExtended strand (participates in β ladder)trans-121.7144.4173.8-55.6-89.4000108.6Q190 A199 R200 E202Q190-Y192 HydrophobicContact CB-CE2 3.71Å; Q190-Y192 PolarHBondContact NE2-OH 3.3Å; Y192-A199 CarbonylContact O-C 3.48Å; Y192-A199 WeakPolarHBondContact O-CA 3.34Å; Y192-A199 WeakPolarHBondContact O-CB 3.31Å; Y192-R200 HydrophobicContact CD2-CG 4.48Å; Y192-R200 PolarHBondContact N-O 3.49Å; Y192-R200 PolarHBondContact O-N 3.24Å; Y192-E202 HydrophobicContact CE2-CB 4.14Å
193R88.8Confident90.9Very high159 Ų15957.9 Ų57.960%0.629%0.285SS*.EExtended strand (participates in β ladder)trans-89.3109176.8-158.9178.7-163.1174.82.7107.4S249R193-S249 PolarHBondContact NH1-OG 3.02Å
194E85.2Confident90.9Very high106 Ų10658.6 Ų58.650%0.49529%0.291SS..  trans-89.9-37.7-173.2-157.877.9-152.500110.7V198 R200 L214E194-V198 PolarHBondContact N-O 3.41Å; E194-V198 VanDerWaalsContact N-O 3.11Å; E194-R200 HydrophobicContact CB-CB 4.43Å; E194-R200 WeakPolarHBondContact OE2-CB 3.41Å; E194-R200 VanDerWaalsContact OE2-CD 3.27Å; E194-R200 WeakPolarHBondContact OE2-CD 3.47Å; E194-L214 HydrophobicContact CB-CD2 4.35Å; E194-L214 HydrophobicContact CG-CD2 4.05Å
195S82.8Confident90.9Very high65 Ų6556.3 Ų56.346%0.45527%0.273SS..SBendtrans-155.1-173.9175.270.80000111.6G197 V198S195-G197 PolarHBondContact O-N 3.15Å; S195-V198 PolarHBondContact N-O 3.44Å; S195-V198 PolarHBondContact O-N 2.92Å; S195-V198 WeakPolarHBondContact OG-CB 3.42Å
196Q80.3Confident90.8Very high190 Ų19054.4 Ų54.489%0.88827%0.27SS*.SBendtrans-61.6122.6168.9-69.1-174.8-6.400109.7V198Q196-V198 PolarHBondContact O-N 3.31Å
197G84Confident90.5Very high48 Ų4864.3 Ų64.350%0.49532%0.316SS..SBendtrans77.4-15.2179.500000116.6S195 E216 W217S195-G197 PolarHBondContact O-N 3.15Å; G197-E216 CarbonylContact O-C 3.51Å; G197-E216 WeakPolarHBondContact O-CA 3.3Å; G197-W217 PolarHBondContact O-N 2.8Å
198V90.1Very high90.4Very high28 Ų2865.5 Ų65.517%0.1733%0.328CS..EExtended strand (participates in β ladder)trans-112.9135.5-178-1720000111.9V147 E194 S195 Q196 L214 M215V147-V198 HydrophobicContact CG2-CG1 4.12Å; V147-V198 HydrophobicContact CG2-CG2 4.45Å; E194-V198 PolarHBondContact N-O 3.41Å; E194-V198 VanDerWaalsContact N-O 3.11Å; S195-V198 PolarHBondContact N-O 3.44Å; S195-V198 PolarHBondContact O-N 2.92Å; S195-V198 WeakPolarHBondContact OG-CB 3.42Å; Q196-V198 PolarHBondContact O-N 3.31Å; V198-L214 HydrophobicContact CG1-CB 4.24Å; V198-M215 WeakPolarHBondContact CG1-O 3.34Å
199A91.9Very high90.2Very high1 Ų169.7 Ų69.71%0.00835%0.346CS..EExtended strand (participates in β ladder)trans-120.1138.9174.400000111.3Y192 M215 W217 A220Y192-A199 CarbonylContact O-C 3.48Å; Y192-A199 WeakPolarHBondContact O-CA 3.34Å; Y192-A199 WeakPolarHBondContact O-CB 3.31Å; A199-M215 PolarHBondContact N-O 3.05Å; A199-M215 PolarHBondContact O-N 2.86Å; A199-M215 VanDerWaalsContact O-O 3.09Å; A199-W217 HydrophobicContact CB-CB 4.44Å; A199-W217 HydrophobicContact CB-CG 4.49Å; A199-A220 HydrophobicContact CB-CB 3.75Å
200R92.1Very high90.1Very high84 Ų8472.7 Ų72.732%0.31737%0.366SS..EExtended strand (participates in β ladder)trans-85.2119167.2171179.3160.4178.3-5.3109.2L191 Y192 E194 E202 V212 L213 L214L191-R200 WeakPolarHBondContact CA-O 3.38Å; Y192-R200 HydrophobicContact CD2-CG 4.48Å; Y192-R200 PolarHBondContact N-O 3.49Å; Y192-R200 PolarHBondContact O-N 3.24Å; E194-R200 HydrophobicContact CB-CB 4.43Å; E194-R200 WeakPolarHBondContact OE2-CB 3.41Å; E194-R200 VanDerWaalsContact OE2-CD 3.27Å; E194-R200 WeakPolarHBondContact OE2-CD 3.47Å; R200-E202 IonicContact CZ-OE2 2.92Å; R200-E202 IonicContact NE-OE2 2.65Å; R200-E202 IonicContact NH2-OE2 3.89Å; R200-E202 PolarHBondContact NH2-OE2 3.11Å; R200-V212 HydrophobicContact CG-CG1 3.94Å; R200-L213 CarbonylContact C-O 3.33Å; R200-L213 WeakPolarHBondContact CA-O 3.4Å; R200-L214 HydrophobicContact CB-CD2 3.69Å; R200-L214 HydrophobicContact CG-CD2 4.28Å
201V93.5Very high90Very high0 Ų072.4 Ų72.40%037%0.366CS..EExtended strand (participates in β ladder)trans-91.5131170.3-1680000108.5I189 L191 V203 V212 L213 M215 A220 F223I189-V201 HydrophobicContact CG2-CG1 4.21Å; L191-V201 HydrophobicContact CD2-CB 4.06Å; L191-V201 HydrophobicContact CD2-CG1 3.88Å; L191-V201 HydrophobicContact CD2-CG2 3.7Å; V201-V203 HydrophobicContact CG1-CG2 4.03Å; V201-V212 WeakPolarHBondContact O-CA 3.31Å; V201-L213 HydrophobicContact CB-CB 4.28Å; V201-L213 PolarHBondContact N-O 2.82Å; V201-L213 PolarHBondContact O-N 3.09Å; V201-M215 HydrophobicContact CG2-CB 4.34Å; V201-M215 HydrophobicContact CG2-CG 4.28Å; V201-M215 HydrophobicContact CG2-SD 3.79Å; V201-A220 HydrophobicContact CG2-CB 3.75Å; V201-F223 HydrophobicContact CG1-CD1 3.84Å; V201-F223 HydrophobicContact CG1-CE1 3.83Å; V201-F223 HydrophobicContact CG2-CD1 4.45Å
202E93.6Very high90Very high34 Ų3473.8 Ų73.816%0.15938%0.375CS..EExtended strand (participates in β ladder)trans-122.2114.4169.7-171.1161.3144.300109.8I189 Q190 Y192 R200 P210 V212I189-E202 WeakPolarHBondContact CA-O 3.49Å; Q190-E202 PolarHBondContact N-O 3.35Å; Q190-E202 PolarHBondContact O-N 2.89Å; Y192-E202 HydrophobicContact CE2-CB 4.14Å; R200-E202 IonicContact CZ-OE2 2.92Å; R200-E202 IonicContact NE-OE2 2.65Å; R200-E202 IonicContact NH2-OE2 3.89Å; R200-E202 PolarHBondContact NH2-OE2 3.11Å; E202-P210 HydrophobicContact CG-CB 4.21Å; E202-V212 HydrophobicContact CG-CG2 4Å
203V95Very high90Very high0 Ų071.1 Ų71.10%037%0.366CS..EExtended strand (participates in β ladder)trans-104108.8176.8-175.70000108.4I166 I186 I189 V201 I205 P210 L211 F223I166-V203 HydrophobicContact CD1-CG1 4.39Å; I186-V203 HydrophobicContact CD1-CG1 4.2Å; I186-V203 HydrophobicContact CG1-CG1 4.19Å; I186-V203 HydrophobicContact CG2-CG1 3.65Å; I189-V203 HydrophobicContact CG1-CG1 4.44Å; I189-V203 HydrophobicContact CG2-CG2 4.36Å; V201-V203 HydrophobicContact CG1-CG2 4.03Å; V203-I205 HydrophobicContact CG1-CG1 4.35Å; V203-P210 CarbonylContact O-C 3.54Å; V203-P210 WeakPolarHBondContact O-CA 3.35Å; V203-L211 HydrophobicContact CB-CB 4.29Å; V203-L211 PolarHBondContact N-O 2.88Å; V203-L211 PolarHBondContact O-N 3.34Å; V203-F223 HydrophobicContact CG2-CE1 3.97Å
204S94.4Very high90.2Very high24 Ų2464.8 Ų64.817%0.16834%0.344CS..EExtended strand (participates in β ladder)trans-76.7128.2175.4-49.80000109.6S187 K188S187-S204 PolarHBondContact N-O 2.91Å; S187-S204 WeakPolarHBondContact OG-CB 3.44Å; S187-S204 PolarHBondContact OG-O 3.45Å; K188-S204 PolarHBondContact O-N 3.44Å
205I94.3Very high90.6Very high22 Ų2259.7 Ų59.711%0.11332%0.32CS..EExtended strand (participates in β ladder)trans-119.4131.4-176-56.1164.2000108.2A181 R185 V203 E207 A208 L211A181-I205 HydrophobicContact CB-CD1 3.91Å; A181-I205 HydrophobicContact CB-CG1 4.28Å; R185-I205 HydrophobicContact CB-CG2 3.9Å; R185-I205 CarbonylContact O-C 3.56Å; R185-I205 WeakPolarHBondContact O-CA 3.38Å; V203-I205 HydrophobicContact CG1-CG1 4.35Å; I205-E207 PolarHBondContact O-N 2.89Å; I205-A208 HydrophobicContact CB-CB 4.11Å; I205-A208 HydrophobicContact CG2-CB 3.83Å; I205-A208 PolarHBondContact O-N 3.1Å; I205-L211 HydrophobicContact CD1-CB 4.08Å
206H91.6Very high91Very high91 Ų9161.3 Ų61.342%0.42132%0.321SS..THydrogen-bonded Turntrans-59.3130.4173.4-75-77.3000110.1R185 S187 A208R185-H206 PolarHBondContact O-CD2 3.41Å; R185-H206 PolarHBondContact O-N 3.01Å; S187-H206 VanDerWaalsContact CB-NE2 3.28Å; S187-H206 WeakPolarHBondContact CB-NE2 3.45Å; H206-A208 PolarHBondContact O-N 3.24Å; H206-A208 VanDerWaalsContact O-N 3.13Å
207E87.3Confident91.5Very high208 Ų20857.4 Ų57.497%0.97230%0.298SS*.THydrogen-bonded Turntrans6016.7177.2-62.2167.5-157.400115.7I205I205-E207 PolarHBondContact O-N 2.89Å
208A90.2Very high91.7Very high60 Ų6058.7 Ų58.750%0.49630%0.297SS..SBendtrans-137.2167.7176.900000112I205 H206I205-A208 HydrophobicContact CB-CB 4.11Å; I205-A208 HydrophobicContact CG2-CB 3.83Å; I205-A208 PolarHBondContact O-N 3.1Å; H206-A208 PolarHBondContact O-N 3.24Å; H206-A208 VanDerWaalsContact O-N 3.13Å
209K89.1Confident91.8Very high187 Ų18757.8 Ų57.881%0.81329%0.292SS*.  trans-65141.2171.6-67.4-175.2177.2-176.40109.7
210P91.2Very high91.8Very high65 Ų6557.8 Ų57.842%0.42229%0.291SS..  trans-62.4140.5175.327.4-34.5000110.4E202 V203 V212E202-P210 HydrophobicContact CG-CB 4.21Å; V203-P210 CarbonylContact O-C 3.54Å; V203-P210 WeakPolarHBondContact O-CA 3.35Å; P210-V212 PolarHBondContact O-N 3.33Å
211L91.6Very high91.8Very high34 Ų3454.4 Ų54.418%0.17828%0.28CS..EExtended strand (participates in β ladder)trans-86106175.7-178.168.6000108.6I166 L180 V203 I205 L213I166-L211 HydrophobicContact CG2-CD2 4.21Å; L180-L211 HydrophobicContact CB-CD2 4.47Å; L180-L211 HydrophobicContact CD1-CD1 4.08Å; L180-L211 HydrophobicContact CD1-CD2 3.86Å; V203-L211 HydrophobicContact CB-CB 4.29Å; V203-L211 PolarHBondContact N-O 2.88Å; V203-L211 PolarHBondContact O-N 3.34Å; I205-L211 HydrophobicContact CD1-CB 4.08Å; L211-L213 HydrophobicContact CD1-CD2 3.92Å; L211-L213 HydrophobicContact CD2-CD1 4.1Å; L211-L213 HydrophobicContact CD2-CD2 4.27Å; L211-L213 HydrophobicContact CD2-CG 4.39Å; L211-L213 HydrophobicContact CG-CD1 4.24Å; L211-L213 HydrophobicContact CG-CD2 3.86Å; L211-L213 HydrophobicContact CG-CG 4Å
212V91.7Very high91.7Very high71 Ų7155.4 Ų55.443%0.4329%0.286SS..EExtended strand (participates in β ladder)trans-97.7129175.7-178.10000109.1R200 V201 E202 P210R200-V212 HydrophobicContact CG-CG1 3.94Å; V201-V212 WeakPolarHBondContact O-CA 3.31Å; E202-V212 HydrophobicContact CG-CG2 4Å; P210-V212 PolarHBondContact O-N 3.33Å
213L92.1Very high91.8Very high16 Ų1653.8 Ų53.88%0.08428%0.278CS..EExtended strand (participates in β ladder)trans-136.5141.4-175.8-51167.8000109.6T146 L158 R200 V201 L211 M215 F223T146-L213 HydrophobicContact CG2-CB 4.35Å; T146-L213 HydrophobicContact CG2-CD2 4.1Å; L158-L213 HydrophobicContact CD1-CD1 3.44Å; L158-L213 VanDerWaalsContact CD1-CD1 3.44Å; L158-L213 HydrophobicContact CD1-CD2 3.97Å; L158-L213 HydrophobicContact CD1-CG 4.34Å; R200-L213 CarbonylContact C-O 3.33Å; R200-L213 WeakPolarHBondContact CA-O 3.4Å; V201-L213 HydrophobicContact CB-CB 4.28Å; V201-L213 PolarHBondContact N-O 2.82Å; V201-L213 PolarHBondContact O-N 3.09Å; L211-L213 HydrophobicContact CD1-CD2 3.92Å; L211-L213 HydrophobicContact CD2-CD1 4.1Å; L211-L213 HydrophobicContact CD2-CD2 4.27Å; L211-L213 HydrophobicContact CD2-CG 4.39Å; L211-L213 HydrophobicContact CG-CD1 4.24Å; L211-L213 HydrophobicContact CG-CD2 3.86Å; L211-L213 HydrophobicContact CG-CG 4Å; L213-M215 HydrophobicContact CB-CG 4.35Å; L213-M215 HydrophobicContact CB-SD 4.42Å; L213-M215 HydrophobicContact CD1-SD 4.2Å; L213-F223 HydrophobicContact CD1-CE1 3.77Å; L213-F223 HydrophobicContact CD1-CE2 4.34Å; L213-F223 HydrophobicContact CD1-CZ 3.52Å
214L92Very high91.7Very high26 Ų2653.8 Ų53.814%0.13628%0.278CS..EExtended strand (participates in β ladder)trans-95.5134.4161.2-65.6-169.5000109.7T146 V147 L149 E194 V198 R200T146-L214 CarbonylContact C-O 3.44Å; T146-L214 WeakPolarHBondContact CA-O 3.12Å; T146-L214 VanDerWaalsContact CB-O 3.27Å; T146-L214 WeakPolarHBondContact CB-O 3.4Å; V147-L214 HydrophobicContact CB-CB 3.94Å; V147-L214 PolarHBondContact N-O 3.04Å; L149-L214 HydrophobicContact CB-CD1 4.48Å; L149-L214 HydrophobicContact CD1-CD1 3.6Å; L149-L214 HydrophobicContact CD1-CG 4.36Å; E194-L214 HydrophobicContact CB-CD2 4.35Å; E194-L214 HydrophobicContact CG-CD2 4.05Å; V198-L214 HydrophobicContact CG1-CB 4.24Å; R200-L214 HydrophobicContact CB-CD2 3.69Å; R200-L214 HydrophobicContact CG-CD2 4.28Å
215M93.6Very high91.6Very high0 Ų054.4 Ų54.40%028%0.282CS..EExtended strand (participates in β ladder)trans-146.9153.5-178.1-67.517959.300110.3F144 T146 V198 A199 V201 L213 W217 D219 A220 F223F144-M215 HydrophobicContact CB-CE 3.69Å; F144-M215 HydrophobicContact CD1-CE 3.63Å; F144-M215 HydrophobicContact CG-CE 3.95Å; T146-M215 HydrophobicContact CG2-CG 4.37Å; V198-M215 WeakPolarHBondContact CG1-O 3.34Å; A199-M215 PolarHBondContact N-O 3.05Å; A199-M215 PolarHBondContact O-N 2.86Å; A199-M215 VanDerWaalsContact O-O 3.09Å; V201-M215 HydrophobicContact CG2-CB 4.34Å; V201-M215 HydrophobicContact CG2-CG 4.28Å; V201-M215 HydrophobicContact CG2-SD 3.79Å; L213-M215 HydrophobicContact CB-CG 4.35Å; L213-M215 HydrophobicContact CB-SD 4.42Å; L213-M215 HydrophobicContact CD1-SD 4.2Å; M215-W217 PolarHBondContact O-N 3.31Å; M215-D219 HydrophobicContact CE-CB 3.98Å; M215-A220 HydrophobicContact CB-CB 4Å; M215-F223 HydrophobicContact CE-CB 3.75Å; M215-F223 HydrophobicContact CE-CD2 4.05Å; M215-F223 HydrophobicContact CE-CG 3.97Å; M215-F223 HydrophobicContact SD-CB 4.34Å; M215-F223 HydrophobicContact SD-CD1 4.24Å; M215-F223 HydrophobicContact SD-CD2 4.22Å; M215-F223 HydrophobicContact SD-CG 4.05Å
216E92.1Very high91.5Very high99 Ų9953.4 Ų53.446%0.46328%0.277SS..EExtended strand (participates in β ladder)trans-57.7139.1170-56.4171.6140.200109.4G197 P218 D219 A220 R942G197-E216 CarbonylContact O-C 3.51Å; G197-E216 WeakPolarHBondContact O-CA 3.3Å; E216-P218 VanDerWaalsContact C-CD 3.48Å; E216-D219 HydrophobicContact CB-CB 4.22Å; E216-D219 CarbonylContact O-C 3.6Å; E216-D219 WeakPolarHBondContact O-CA 3.48Å; E216-D219 VanDerWaalsContact O-CB 3.31Å; E216-D219 WeakPolarHBondContact O-CB 3.5Å; E216-D219 PolarHBondContact O-N 2.86Å; E216-A220 PolarHBondContact O-N 3.08Å; E216-R942 IonicContact OE2-NH2 3.47Å; E216-R942 PolarHBondContact OE2-NH2 2.79Å
217W89.1Confident91.7Very high108 Ų10849 Ų4941%0.40926%0.257SS..Hα-helixtrans-54.4-41.3-171.4-171.7101000114.5G197 A199 M215 A220 S221G197-W217 PolarHBondContact O-N 2.8Å; A199-W217 HydrophobicContact CB-CB 4.44Å; A199-W217 HydrophobicContact CB-CG 4.49Å; M215-W217 PolarHBondContact O-N 3.31Å; W217-A220 PolarHBondContact O-N 3.2Å; W217-S221 WeakPolarHBondContact O-CB 3.21Å; W217-S221 PolarHBondContact O-N 3.09Å
218P89.3Confident91.9Very high74 Ų7439.8 Ų39.848%0.48122%0.215SC..Hα-helixtrans-64.6-40.1174.4-20.834.1000112.4E216 S221 N222E216-P218 VanDerWaalsContact C-CD 3.48Å; P218-S221 PolarHBondContact O-N 2.85Å; P218-N222 WeakPolarHBondContact O-CB 3.41Å; P218-N222 VanDerWaalsContact O-CG 3.29Å; P218-N222 PolarHBondContact O-N 3.38Å; P218-N222 PolarHBondContact O-ND2 2.81Å; P218-N222 VanDerWaalsContact O-ND2 3.17Å
219D91.5Very high92Very high10 Ų1037.6 Ų37.65%0.05320%0.199CC..Hα-helixtrans-66-43.8178.2-123.940000110.7F144 M215 E216 N222 F223 R942F144-D219 HydrophobicContact CD1-CB 4.44Å; F144-D219 WeakPolarHBondContact CE1-O 3.45Å; M215-D219 HydrophobicContact CE-CB 3.98Å; E216-D219 HydrophobicContact CB-CB 4.22Å; E216-D219 CarbonylContact O-C 3.6Å; E216-D219 WeakPolarHBondContact O-CA 3.48Å; E216-D219 VanDerWaalsContact O-CB 3.31Å; E216-D219 WeakPolarHBondContact O-CB 3.5Å; E216-D219 PolarHBondContact O-N 2.86Å; D219-N222 PolarHBondContact O-N 2.85Å; D219-F223 WeakPolarHBondContact O-CB 3.26Å; D219-F223 PolarHBondContact O-N 3.4Å; D219-R942 IonicContact OD1-CZ 2.74Å; D219-R942 IonicContact OD1-NE 3.17Å; D219-R942 IonicContact OD1-NH1 2.77Å; D219-R942 PolarHBondContact OD1-NH1 2.83Å; D219-R942 IonicContact OD1-NH2 3.63Å; D219-R942 PolarHBondContact OD1-NH2 2.96Å; D219-R942 IonicContact OD2-CZ 2.68Å; D219-R942 IonicContact OD2-NH1 3.99Å; D219-R942 PolarHBondContact OD2-NH1 3.5Å; D219-R942 IonicContact OD2-NH2 3.71Å; D219-R942 PolarHBondContact OD2-NH2 3.23Å
220A92.9Very high92.2Very high0 Ų028.8 Ų28.80%016%0.16CC..Hα-helixtrans-61.3-45.317600000112.4L191 A199 V201 M215 E216 W217 F223 A224L191-A220 HydrophobicContact CD2-CB 4.16Å; A199-A220 HydrophobicContact CB-CB 3.75Å; V201-A220 HydrophobicContact CG2-CB 3.75Å; M215-A220 HydrophobicContact CB-CB 4Å; E216-A220 PolarHBondContact O-N 3.08Å; W217-A220 PolarHBondContact O-N 3.2Å; A220-F223 PolarHBondContact O-N 3.05Å; A220-A224 WeakPolarHBondContact O-CB 3.32Å; A220-A224 PolarHBondContact O-N 2.89Å
221S91.4Very high92.3Very high13 Ų1326 Ų269%0.09114%0.141CC..Hα-helixtrans-63-46.1175.7-170.50000111.2W217 P218 C225 R244W217-S221 WeakPolarHBondContact O-CB 3.21Å; W217-S221 PolarHBondContact O-N 3.09Å; P218-S221 PolarHBondContact O-N 2.85Å; S221-C225 WeakPolarHBondContact O-CB 3.32Å; S221-C225 PolarHBondContact O-N 2.93Å; S221-C225 PolarHBondContact O-SG 2.81Å; S221-R244 PolarHBondContact OG-NH2 3.48Å
222N92.4Very high92.3Very high22 Ų2228.3 Ų28.312%0.11815%0.15CC..Hα-helixtrans-61.8-42.7175.1-79.4-34.5000112.5F144 P218 D219 C225 L226 C940F144-N222 HydrophobicContact CE1-CB 3.95Å; F144-N222 HydrophobicContact CZ-CB 4.46Å; P218-N222 WeakPolarHBondContact O-CB 3.41Å; P218-N222 VanDerWaalsContact O-CG 3.29Å; P218-N222 PolarHBondContact O-N 3.38Å; P218-N222 PolarHBondContact O-ND2 2.81Å; P218-N222 VanDerWaalsContact O-ND2 3.17Å; D219-N222 PolarHBondContact O-N 2.85Å; N222-C225 PolarHBondContact O-N 2.94Å; N222-L226 VanDerWaalsContact O-CB 3.3Å; N222-L226 WeakPolarHBondContact O-CB 3.43Å; N222-L226 PolarHBondContact O-N 2.95Å; N222-C940 PolarHBondContact ND2-O 2.85Å
223F94.3Very high92.2Very high0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-61.6-51178.6179.5-94.7000111.5F144 L158 V160 I166 V201 V203 L213 M215 D219 A220 C225 L226 I227F144-F223 HydrophobicContact CB-CD2 4.24Å; F144-F223 HydrophobicContact CD1-CB 3.94Å; F144-F223 HydrophobicContact CD1-CD2 4.18Å; F144-F223 AromaticContact CD2-CD2 3.72Å; F144-F223 HydrophobicContact CD2-CD2 3.72Å; F144-F223 HydrophobicContact CD2-CE2 4.47Å; F144-F223 HydrophobicContact CE1-CB 3.74Å; F144-F223 HydrophobicContact CE1-CD2 4.47Å; F144-F223 HydrophobicContact CE2-CD2 4.03Å; F144-F223 HydrophobicContact CG-CB 4.41Å; F144-F223 AromaticContact CG-CD2 3.79Å; F144-F223 HydrophobicContact CG-CD2 3.79Å; F144-F223 HydrophobicContact CZ-CB 4.05Å; F144-F223 HydrophobicContact CZ-CD2 4.39Å; L158-F223 HydrophobicContact CD1-CE2 3.82Å; L158-F223 HydrophobicContact CD1-CZ 4Å; V160-F223 HydrophobicContact CG2-CD2 3.84Å; V160-F223 HydrophobicContact CG2-CE2 3.52Å; V160-F223 HydrophobicContact CG2-CZ 4.48Å; I166-F223 HydrophobicContact CD1-CZ 4.5Å; I166-F223 HydrophobicContact CG2-CZ 4.33Å; V201-F223 HydrophobicContact CG1-CD1 3.84Å; V201-F223 HydrophobicContact CG1-CE1 3.83Å; V201-F223 HydrophobicContact CG2-CD1 4.45Å; V203-F223 HydrophobicContact CG2-CE1 3.97Å; L213-F223 HydrophobicContact CD1-CE1 3.77Å; L213-F223 HydrophobicContact CD1-CE2 4.34Å; L213-F223 HydrophobicContact CD1-CZ 3.52Å; M215-F223 HydrophobicContact CE-CB 3.75Å; M215-F223 HydrophobicContact CE-CD2 4.05Å; M215-F223 HydrophobicContact CE-CG 3.97Å; M215-F223 HydrophobicContact SD-CB 4.34Å; M215-F223 HydrophobicContact SD-CD1 4.24Å; M215-F223 HydrophobicContact SD-CD2 4.22Å; M215-F223 HydrophobicContact SD-CG 4.05Å; D219-F223 WeakPolarHBondContact O-CB 3.26Å; D219-F223 PolarHBondContact O-N 3.4Å; A220-F223 PolarHBondContact O-N 3.05Å; F223-C225 PolarHBondContact O-N 2.87Å; F223-L226 PolarHBondContact O-N 3.02Å; F223-I227 HydrophobicContact CD1-CD1 3.48Å; F223-I227 VanDerWaalsContact CD1-CD1 3.48Å; F223-I227 HydrophobicContact CD2-CD1 4.11Å; F223-I227 HydrophobicContact CE1-CD1 3.26Å; F223-I227 HydrophobicContact CE2-CD1 3.93Å; F223-I227 HydrophobicContact CG-CD1 3.92Å; F223-I227 HydrophobicContact CZ-CD1 3.51Å; F223-I227 WeakPolarHBondContact O-CD1 3.25Å; F223-I227 VanDerWaalsContact O-CG1 3.31Å; F223-I227 WeakPolarHBondContact O-CG1 3.5Å; F223-I227 PolarHBondContact O-N 2.82Å
224A93.7Very high92.1Very high0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-60.1-43.2176.400000112.2I189 L191 A220 S228 Y242I189-A224 HydrophobicContact CG2-CB 3.89Å; L191-A224 HydrophobicContact CD1-CB 4.19Å; L191-A224 HydrophobicContact CD2-CB 4.27Å; L191-A224 HydrophobicContact CG-CB 4.32Å; A220-A224 WeakPolarHBondContact O-CB 3.32Å; A220-A224 PolarHBondContact O-N 2.89Å; A224-S228 WeakPolarHBondContact O-CB 3.43Å; A224-S228 PolarHBondContact O-N 3.32Å; A224-Y242 HydrophobicContact CB-CD1 3.97Å; A224-Y242 HydrophobicContact CB-CD2 4.1Å; A224-Y242 HydrophobicContact CB-CE1 3.86Å; A224-Y242 HydrophobicContact CB-CE2 4.02Å; A224-Y242 HydrophobicContact CB-CG 4.09Å
225C91.9Very high92.1Very high36 Ų3633.6 Ų33.624%0.24317%0.174CC..Hα-helixtrans-64.1-38.7175.5-71.30000112.9S221 N222 F223 G229 F939S221-C225 WeakPolarHBondContact O-CB 3.32Å; S221-C225 PolarHBondContact O-N 2.93Å; S221-C225 PolarHBondContact O-SG 2.81Å; N222-C225 PolarHBondContact O-N 2.94Å; F223-C225 PolarHBondContact O-N 2.87Å; C225-G229 PolarHBondContact O-N 3.46Å; C225-F939 HydrophobicContact CB-CE2 3.77Å; C225-F939 HydrophobicContact CB-CZ 3.99Å
226L93.1Very high91.9Very high1 Ų136.2 Ų36.21%0.00519%0.188CC..Hα-helixtrans-68.7-44.8-178.9-172.469.1000111.7F9 I142 F144 V160 N222 F223 G229 Y230 F939F9-L226 HydrophobicContact CD1-CD1 4.25Å; F9-L226 HydrophobicContact CE1-CD1 3.98Å; I142-L226 HydrophobicContact CB-CD2 3.91Å; I142-L226 HydrophobicContact CD1-CD1 4.12Å; I142-L226 HydrophobicContact CD1-CD2 4Å; I142-L226 HydrophobicContact CG1-CD2 4.05Å; F144-L226 HydrophobicContact CE2-CD2 3.69Å; F144-L226 HydrophobicContact CZ-CD2 3.94Å; V160-L226 HydrophobicContact CB-CD2 3.83Å; V160-L226 HydrophobicContact CG1-CD2 3.68Å; V160-L226 HydrophobicContact CG1-CG 4.16Å; N222-L226 VanDerWaalsContact O-CB 3.3Å; N222-L226 WeakPolarHBondContact O-CB 3.43Å; N222-L226 PolarHBondContact O-N 2.95Å; F223-L226 PolarHBondContact O-N 3.02Å; L226-G229 PolarHBondContact O-N 3.22Å; L226-Y230 HydrophobicContact CD1-CD2 4.13Å; L226-Y230 HydrophobicContact CD1-CE2 3.67Å; L226-Y230 HydrophobicContact CD2-CE2 4.37Å; L226-Y230 HydrophobicContact CG-CD2 3.95Å; L226-Y230 HydrophobicContact CG-CE2 3.82Å; L226-Y230 WeakPolarHBondContact O-CD2 3.43Å; L226-Y230 PolarHBondContact O-N 3.29Å; L226-F939 HydrophobicContact CB-CE1 4.3Å; L226-F939 HydrophobicContact CB-CZ 3.84Å; L226-F939 HydrophobicContact CD1-CE1 4.08Å; L226-F939 HydrophobicContact CD1-CZ 3.95Å
227I94.3Very high91.6Very high0 Ų036 Ų360%020%0.196CC..Hα-helixtrans-67.6-42.7178.1-62.1161.2000110.1V160 I166 F183 I186 I189 F223 G229 Y230 Y231 I241V160-I227 HydrophobicContact CG1-CG1 3.89Å; I166-I227 HydrophobicContact CD1-CD1 3.53Å; I166-I227 HydrophobicContact CD1-CG1 4.04Å; I166-I227 HydrophobicContact CD1-CG2 4.26Å; I166-I227 HydrophobicContact CG1-CD1 4.08Å; I166-I227 HydrophobicContact CG1-CG1 4.2Å; F183-I227 HydrophobicContact CD1-CG2 4.1Å; F183-I227 HydrophobicContact CE1-CG1 4.46Å; F183-I227 HydrophobicContact CE1-CG2 4.32Å; I186-I227 HydrophobicContact CD1-CG2 3.35Å; I189-I227 HydrophobicContact CD1-CB 3.7Å; I189-I227 HydrophobicContact CD1-CD1 4.46Å; I189-I227 HydrophobicContact CD1-CG2 3.57Å; F223-I227 HydrophobicContact CD1-CD1 3.48Å; F223-I227 VanDerWaalsContact CD1-CD1 3.48Å; F223-I227 HydrophobicContact CD2-CD1 4.11Å; F223-I227 HydrophobicContact CE1-CD1 3.26Å; F223-I227 HydrophobicContact CE2-CD1 3.93Å; F223-I227 HydrophobicContact CG-CD1 3.92Å; F223-I227 HydrophobicContact CZ-CD1 3.51Å; F223-I227 WeakPolarHBondContact O-CD1 3.25Å; F223-I227 VanDerWaalsContact O-CG1 3.31Å; F223-I227 WeakPolarHBondContact O-CG1 3.5Å; F223-I227 PolarHBondContact O-N 2.82Å; I227-G229 VanDerWaalsContact C-N 3.34Å; I227-G229 PolarHBondContact O-N 2.62Å; I227-Y230 PolarHBondContact O-N 2.89Å; I227-Y231 WeakPolarHBondContact O-CB 3.16Å; I227-Y231 PolarHBondContact O-N 3.26Å; I227-I241 HydrophobicContact CG2-CD1 4.13Å
228S92.8Very high91.6Very high13 Ų1340 Ų409%0.09122%0.216CC..Hα-helixtrans-60-41.8175-171.70000112.2A224 Y231 K232A224-S228 WeakPolarHBondContact O-CB 3.43Å; A224-S228 PolarHBondContact O-N 3.32Å; S228-Y231 WeakPolarHBondContact O-CB 3.47Å; S228-Y231 PolarHBondContact O-N 3.47Å; S228-K232 WeakPolarHBondContact O-CG 3.45Å; S228-K232 PolarHBondContact O-N 2.99Å
229G91.9Very high91.5Very high15 Ų1541.1 Ų41.116%0.15521%0.21CC..Hα-helixtrans-67.5-41.9175.500000113.7C225 L226 I227 Y231 K232 L233C225-G229 PolarHBondContact O-N 3.46Å; L226-G229 PolarHBondContact O-N 3.22Å; I227-G229 VanDerWaalsContact C-N 3.34Å; I227-G229 PolarHBondContact O-N 2.62Å; G229-Y231 VanDerWaalsContact C-N 3.33Å; G229-Y231 PolarHBondContact O-N 2.92Å; G229-K232 PolarHBondContact O-N 3.18Å; G229-L233 WeakPolarHBondContact O-CB 3.4Å; G229-L233 PolarHBondContact O-N 3.17Å
230Y93.1Very high91.2Very high1 Ų143.2 Ų43.20%0.00423%0.226CC..Hα-helixtrans-67.8-30.9173.6-80-53.1000113.1F9 F10 G140 P162 F183 L226 I227 L233 F234F9-Y230 HydrophobicContact CB-CD1 4.31Å; F9-Y230 HydrophobicContact CB-CE1 3.83Å; F9-Y230 HydrophobicContact CD1-CD1 4.02Å; F9-Y230 HydrophobicContact CD1-CD2 4.26Å; F9-Y230 AromaticContact CD1-CE1 4Å; F9-Y230 HydrophobicContact CD1-CE1 4Å; F9-Y230 HydrophobicContact CD1-CE2 4.25Å; F9-Y230 HydrophobicContact CD1-CG 4.14Å; F9-Y230 HydrophobicContact CG-CE1 4.44Å; F10-Y230 PolarHBondContact N-OH 3.29Å; G140-Y230 PolarHBondContact O-OH 2.86Å; P162-Y230 HydrophobicContact CB-CE1 4Å; P162-Y230 HydrophobicContact CG-CE1 4.48Å; F183-Y230 HydrophobicContact CE1-CD2 4.17Å; F183-Y230 HydrophobicContact CE1-CG 4.29Å; F183-Y230 HydrophobicContact CE2-CD2 4.32Å; F183-Y230 HydrophobicContact CE2-CG 4.05Å; F183-Y230 AromaticContact CZ-CD2 3.72Å; F183-Y230 HydrophobicContact CZ-CD2 3.72Å; F183-Y230 AromaticContact CZ-CG 3.85Å; F183-Y230 HydrophobicContact CZ-CG 3.85Å; L226-Y230 HydrophobicContact CD1-CD2 4.13Å; L226-Y230 HydrophobicContact CD1-CE2 3.67Å; L226-Y230 HydrophobicContact CD2-CE2 4.37Å; L226-Y230 HydrophobicContact CG-CD2 3.95Å; L226-Y230 HydrophobicContact CG-CE2 3.82Å; L226-Y230 WeakPolarHBondContact O-CD2 3.43Å; L226-Y230 PolarHBondContact O-N 3.29Å; I227-Y230 PolarHBondContact O-N 2.89Å; Y230-L233 HydrophobicContact CD1-CD2 4.32Å; Y230-L233 PolarHBondContact O-N 3.47Å; Y230-F234 HydrophobicContact CD1-CD2 4.06Å; Y230-F234 AromaticContact CD1-CE2 3.42Å; Y230-F234 HydrophobicContact CD1-CE2 3.42Å; Y230-F234 VanDerWaalsContact CD1-CE2 3.42Å; Y230-F234 HydrophobicContact CD1-CZ 4.13Å; Y230-F234 HydrophobicContact CE1-CE2 4.01Å; Y230-F234 HydrophobicContact CE1-CZ 4.39Å; Y230-F234 HydrophobicContact CG-CE2 4.27Å; Y230-F234 WeakPolarHBondContact O-CB 3.4Å; Y230-F234 WeakPolarHBondContact O-CD2 3.14Å; Y230-F234 PolarHBondContact O-N 2.94Å
231Y93.5Very high91Very high6 Ų643.5 Ų43.52%0.02423%0.227CC..Hα-helixtrans-62-49.4170.4-169.3-85.7000111.1F183 I186 I227 S228 G229 L233 F234 V235 D236 R239 I241F183-Y231 WeakPolarHBondContact O-CD2 3.47Å; F183-Y231 WeakPolarHBondContact O-CE2 3.45Å; I186-Y231 WeakPolarHBondContact O-CE2 3.48Å; I227-Y231 WeakPolarHBondContact O-CB 3.16Å; I227-Y231 PolarHBondContact O-N 3.26Å; S228-Y231 WeakPolarHBondContact O-CB 3.47Å; S228-Y231 PolarHBondContact O-N 3.47Å; G229-Y231 VanDerWaalsContact C-N 3.33Å; G229-Y231 PolarHBondContact O-N 2.92Å; Y231-L233 VanDerWaalsContact C-N 3.27Å; Y231-L233 PolarHBondContact O-N 2.82Å; Y231-F234 PolarHBondContact O-N 3.49Å; Y231-V235 HydrophobicContact CD1-CB 4.17Å; Y231-V235 HydrophobicContact CD2-CB 4.04Å; Y231-V235 HydrophobicContact CD2-CG1 4.38Å; Y231-V235 HydrophobicContact CD2-CG2 3.86Å; Y231-V235 HydrophobicContact CE1-CB 4.05Å; Y231-V235 HydrophobicContact CE1-CG1 4.11Å; Y231-V235 HydrophobicContact CE2-CB 3.93Å; Y231-V235 HydrophobicContact CE2-CG1 3.75Å; Y231-V235 HydrophobicContact CE2-CG2 4.03Å; Y231-V235 HydrophobicContact CG-CB 4.17Å; Y231-V235 HydrophobicContact CG-CG2 4.23Å; Y231-V235 WeakPolarHBondContact O-CA 3.39Å; Y231-V235 WeakPolarHBondContact O-CB 3.22Å; Y231-V235 PolarHBondContact O-N 2.8Å; Y231-D236 HydrophobicContact CE1-CB 4.23Å; Y231-D236 PolarHBondContact O-N 2.83Å; Y231-R239 HydrophobicContact CE1-CB 4.17Å; Y231-R239 HydrophobicContact CE1-CG 4.02Å; Y231-R239 WeakPolarHBondContact OH-CD 3.48Å; Y231-R239 VanDerWaalsContact OH-CZ 3.32Å; Y231-R239 PolarHBondContact OH-NE 2.95Å; Y231-R239 PolarHBondContact OH-NH1 3.49Å; Y231-I241 HydrophobicContact CD1-CG1 4.32Å; Y231-I241 HydrophobicContact CD1-CG2 3.83Å; Y231-I241 HydrophobicContact CD2-CD1 3.7Å; Y231-I241 HydrophobicContact CD2-CG1 4.32Å; Y231-I241 HydrophobicContact CD2-CG2 3.87Å; Y231-I241 HydrophobicContact CE1-CG2 3.66Å; Y231-I241 HydrophobicContact CE2-CG2 3.71Å; Y231-I241 HydrophobicContact CG-CD1 3.69Å; Y231-I241 HydrophobicContact CG-CG1 3.97Å; Y231-I241 HydrophobicContact CG-CG2 3.93Å
232K91.8Very high90.8Very high83 Ų8344 Ų4436%0.36123%0.227SC..Hα-helixtrans-63.5-30.2176.9-71.3-171.7179.6-1650113.7S228 G229 D236 P237 R239S228-K232 WeakPolarHBondContact O-CG 3.45Å; S228-K232 PolarHBondContact O-N 2.99Å; G229-K232 PolarHBondContact O-N 3.18Å; K232-D236 WeakPolarHBondContact CA-O 3.48Å; K232-P237 WeakPolarHBondContact O-CA 3.44Å; K232-R239 WeakPolarHBondContact CE-O 3.46Å
233L89.8Confident89.8Confident95 Ų9548.5 Ų48.550%0.49725%0.251SS..Hα-helixtrans-80.4-28.8178.9-174.562.2000114.1F9 G229 Y230 Y231F9-L233 HydrophobicContact CB-CD2 3.79Å; G229-L233 WeakPolarHBondContact O-CB 3.4Å; G229-L233 PolarHBondContact O-N 3.17Å; Y230-L233 HydrophobicContact CD1-CD2 4.32Å; Y230-L233 PolarHBondContact O-N 3.47Å; Y231-L233 VanDerWaalsContact C-N 3.27Å; Y231-L233 PolarHBondContact O-N 2.82Å
234F89.8Confident88.5Confident70 Ų7052.1 Ų52.131%0.30726%0.264SS..Hα-helixtrans-123.1-10.1-170.6-61-43000116K12 P162 F183 Y230 Y231K12-F234 HydrophobicContact CD-CE1 4.5Å; K12-F234 HydrophobicContact CD-CZ 4.49Å; K12-F234 HydrophobicContact CG-CE1 4.21Å; K12-F234 HydrophobicContact CG-CZ 3.94Å; P162-F234 HydrophobicContact CB-CE2 3.74Å; P162-F234 HydrophobicContact CB-CZ 3.73Å; F183-F234 HydrophobicContact CD2-CD2 4.05Å; F183-F234 HydrophobicContact CE2-CD2 4.43Å; Y230-F234 HydrophobicContact CD1-CD2 4.06Å; Y230-F234 AromaticContact CD1-CE2 3.42Å; Y230-F234 HydrophobicContact CD1-CE2 3.42Å; Y230-F234 VanDerWaalsContact CD1-CE2 3.42Å; Y230-F234 HydrophobicContact CD1-CZ 4.13Å; Y230-F234 HydrophobicContact CE1-CE2 4.01Å; Y230-F234 HydrophobicContact CE1-CZ 4.39Å; Y230-F234 HydrophobicContact CG-CE2 4.27Å; Y230-F234 WeakPolarHBondContact O-CB 3.4Å; Y230-F234 WeakPolarHBondContact O-CD2 3.14Å; Y230-F234 PolarHBondContact O-N 2.94Å; Y231-F234 PolarHBondContact O-N 3.49Å
235V91.8Very high86.7Confident59 Ų5957.9 Ų57.936%0.35830%0.295SS..THydrogen-bonded Turntrans-125-67.8-173.2-167.90000110.9F183 Y231F183-V235 HydrophobicContact CB-CG2 4.18Å; Y231-V235 HydrophobicContact CD1-CB 4.17Å; Y231-V235 HydrophobicContact CD2-CB 4.04Å; Y231-V235 HydrophobicContact CD2-CG1 4.38Å; Y231-V235 HydrophobicContact CD2-CG2 3.86Å; Y231-V235 HydrophobicContact CE1-CB 4.05Å; Y231-V235 HydrophobicContact CE1-CG1 4.11Å; Y231-V235 HydrophobicContact CE2-CB 3.93Å; Y231-V235 HydrophobicContact CE2-CG1 3.75Å; Y231-V235 HydrophobicContact CE2-CG2 4.03Å; Y231-V235 HydrophobicContact CG-CB 4.17Å; Y231-V235 HydrophobicContact CG-CG2 4.23Å; Y231-V235 WeakPolarHBondContact O-CA 3.39Å; Y231-V235 WeakPolarHBondContact O-CB 3.22Å; Y231-V235 PolarHBondContact O-N 2.8Å
236D88.6Confident84.5Confident56 Ų5662.7 Ų62.730%0.29931%0.312SS..  trans-152.7116.1178.8175.22.4000109.9Y231 K232 K238 R239Y231-D236 HydrophobicContact CE1-CB 4.23Å; Y231-D236 PolarHBondContact O-N 2.83Å; K232-D236 WeakPolarHBondContact CA-O 3.48Å; D236-K238 VanDerWaalsContact C-N 3.29Å; D236-K238 PolarHBondContact O-N 3.29Å; D236-K238 WeakPolarHBondContact OD1-CB 3.42Å; D236-K238 PolarHBondContact OD1-N 3.2Å; D236-R239 HydrophobicContact CB-CB 4.13Å; D236-R239 PolarHBondContact OD1-N 3.47Å; D236-R239 WeakPolarHBondContact OD2-CB 3.41Å; D236-R239 PolarHBondContact OD2-N 2.8Å
237P87.9Confident82Confident94 Ų9466.2 Ų66.261%0.6135%0.348SS*.SBendtrans-70.1-21.7-179.929.2-35.2000113.9K232K232-P237 WeakPolarHBondContact O-CA 3.44Å
238K88.1Confident79.3Confident193 Ų19373.2 Ų73.284%0.83938%0.381SS*.SBendtrans-83.1-43-178-62.2-175.3177.4-175.60111.6D236D236-K238 VanDerWaalsContact C-N 3.29Å; D236-K238 PolarHBondContact O-N 3.29Å; D236-K238 WeakPolarHBondContact OD1-CB 3.42Å; D236-K238 PolarHBondContact OD1-N 3.2Å
239R86.6Confident76.5Confident96 Ų9675.5 Ų75.536%0.36240%0.397SS..  trans-69.6129.8-179.9177.3172173.7-172.5-3.3112S187 Y231 K232 D236 I241S187-R239 PolarHBondContact O-NH2 2.88Å; Y231-R239 HydrophobicContact CE1-CB 4.17Å; Y231-R239 HydrophobicContact CE1-CG 4.02Å; Y231-R239 WeakPolarHBondContact OH-CD 3.48Å; Y231-R239 VanDerWaalsContact OH-CZ 3.32Å; Y231-R239 PolarHBondContact OH-NE 2.95Å; Y231-R239 PolarHBondContact OH-NH1 3.49Å; K232-R239 WeakPolarHBondContact CE-O 3.46Å; D236-R239 HydrophobicContact CB-CB 4.13Å; D236-R239 PolarHBondContact OD1-N 3.47Å; D236-R239 WeakPolarHBondContact OD2-CB 3.41Å; D236-R239 PolarHBondContact OD2-N 2.8Å; R239-I241 HydrophobicContact CG-CG2 4.45Å
240S84.8Confident73.8Confident55 Ų5584 Ų8439%0.38543%0.432SS..  trans-102.9108.8170-153.10000109.9Y242S240-Y242 VanDerWaalsContact C-N 3.3Å; S240-Y242 PolarHBondContact OG-O 2.95Å
241I90.1Very high71Confident5 Ų592.2 Ų92.23%0.02648%0.476CS..SBendtrans-75.6-20.4175.154.8164.3000113.1I186 K188 I189 I227 Y231 R239I186-I241 HydrophobicContact CB-CD1 4.21Å; I186-I241 HydrophobicContact CG2-CD1 3.64Å; K188-I241 CarbonylContact C-O 3.46Å; K188-I241 WeakPolarHBondContact CA-O 3.46Å; I189-I241 HydrophobicContact CD1-CD1 3.79Å; I189-I241 HydrophobicContact CD1-CG1 4.32Å; I189-I241 HydrophobicContact CG1-CD1 4.06Å; I189-I241 HydrophobicContact CG1-CG1 4.46Å; I189-I241 PolarHBondContact N-O 3.24Å; I227-I241 HydrophobicContact CG2-CD1 4.13Å; Y231-I241 HydrophobicContact CD1-CG1 4.32Å; Y231-I241 HydrophobicContact CD1-CG2 3.83Å; Y231-I241 HydrophobicContact CD2-CD1 3.7Å; Y231-I241 HydrophobicContact CD2-CG1 4.32Å; Y231-I241 HydrophobicContact CD2-CG2 3.87Å; Y231-I241 HydrophobicContact CE1-CG2 3.66Å; Y231-I241 HydrophobicContact CE2-CG2 3.71Å; Y231-I241 HydrophobicContact CG-CD1 3.69Å; Y231-I241 HydrophobicContact CG-CG1 3.97Å; Y231-I241 HydrophobicContact CG-CG2 3.93Å; R239-I241 HydrophobicContact CG-CG2 4.45Å
242Y87.3Confident67.9Low23 Ų2395.6 Ų95.69%0.0951%0.505CS..BIsolated β-bridgetrans-114.2133.1176174.8-134.3000109.5I189 L191 A224 S240I189-Y242 HydrophobicContact CB-CD2 4.39Å; I189-Y242 HydrophobicContact CG2-CD2 4.45Å; L191-Y242 HydrophobicContact CD1-CE2 4.05Å; L191-Y242 VanDerWaalsContact CD1-OH 3.32Å; L191-Y242 WeakPolarHBondContact CD1-OH 3.32Å; L191-Y242 HydrophobicContact CG-CE2 4.06Å; A224-Y242 HydrophobicContact CB-CD1 3.97Å; A224-Y242 HydrophobicContact CB-CD2 4.1Å; A224-Y242 HydrophobicContact CB-CE1 3.86Å; A224-Y242 HydrophobicContact CB-CE2 4.02Å; A224-Y242 HydrophobicContact CB-CG 4.09Å; S240-Y242 VanDerWaalsContact C-N 3.3Å; S240-Y242 PolarHBondContact OG-O 2.95Å
243I71.1Confident64.8Low118 Ų118101 Ų10161%0.60553%0.529SS*.  trans-129.2126.8172.6-59.8177.4000106.5N245I243-N245 PolarHBondContact O-N 3.27Å; I243-N245 VanDerWaalsContact O-N 3.13Å
244R66Low62.3Low75 Ų75100.3 Ų100.328%0.28353%0.53SS..  trans-80.391.9178.5-178.9177.9-80.1157.4-7108.7S221 F246 S936S221-R244 PolarHBondContact OG-NH2 3.48Å; R244-F246 HydrophobicContact CB-CE2 4.32Å; R244-F246 HydrophobicContact CG-CD2 4.45Å; R244-F246 HydrophobicContact CG-CE1 4.3Å; R244-F246 HydrophobicContact CG-CE2 4.08Å; R244-F246 HydrophobicContact CG-CZ 4.01Å; R244-F246 WeakPolarHBondContact O-CD2 3.45Å; R244-F246 WeakPolarHBondContact O-CE2 3.29Å; R244-F246 PolarHBondContact O-N 3.07Å; R244-F246 VanDerWaalsContact O-N 3.09Å; R244-S936 PolarHBondContact NH1-O 3.18Å
245N56.1Low59.6Low122 Ų122100.7 Ų100.765%0.65255%0.553SS**  trans-66.8104.9174.1-74.48.8000110I243 G247I243-N245 PolarHBondContact O-N 3.27Å; I243-N245 VanDerWaalsContact O-N 3.13Å; N245-G247 PolarHBondContact O-N 3.42Å
246F46.5Very low56.5Low137 Ų137102.8 Ų102.860%0.60156%0.561SS**  trans-74.4-7.2176.4-68.4-88.1000113.7R244 Q248 L256R244-F246 HydrophobicContact CB-CE2 4.32Å; R244-F246 HydrophobicContact CG-CD2 4.45Å; R244-F246 HydrophobicContact CG-CE1 4.3Å; R244-F246 HydrophobicContact CG-CE2 4.08Å; R244-F246 HydrophobicContact CG-CZ 4.01Å; R244-F246 WeakPolarHBondContact O-CD2 3.45Å; R244-F246 WeakPolarHBondContact O-CE2 3.29Å; R244-F246 PolarHBondContact O-N 3.07Å; R244-F246 VanDerWaalsContact O-N 3.09Å; F246-Q248 PolarHBondContact O-N 3.05Å; F246-L256 HydrophobicContact CD1-CD2 3.96Å; F246-L256 HydrophobicContact CE1-CD1 4.23Å; F246-L256 HydrophobicContact CE1-CD2 4.27Å; F246-L256 HydrophobicContact CG-CD2 4.32Å
247G39.6Very low53.6Low74 Ų74108.4 Ų108.476%0.76359%0.59SS**  trans-84.814.6-168.200000118N245N245-G247 PolarHBondContact O-N 3.42Å
248Q38.6Very low50.9Low148 Ų148109.4 Ų109.469%0.69259%0.594SS**SBendtrans-128.942.3178.3-78.8-169.5-37.800113.5F246F246-Q248 PolarHBondContact O-N 3.05Å
249S33.1Very low48.3Very low61 Ų61108 Ų10843%0.42760%0.595SS.*  trans-129.496.6157.5-159.90000108.5R193R193-S249 PolarHBondContact NH1-OG 3.02Å
250Q34.9Very low45.4Very low192 Ų192108.4 Ų108.490%0.89762%0.618SS**  trans-68.5148.6160.5-68.3-161.6400109
251L35.9Very low42.5Very low175 Ų175110.7 Ų110.792%0.91664%0.641SS**SBendtrans5259.8174.1-153.967.6000117.4
252A26.8Very low39.6Very low76 Ų76118.1 Ų118.163%0.62868%0.679SS**  trans-156.9113.9148.200000111.9
253K28.4Very low36.8Very low198 Ų198122.4 Ų122.486%0.86171%0.708SS**  trans-129120.6160.1-74.1-177.5178.2179.40105.9
254P36.8Very low34.9Very low80 Ų80123 Ų12352%0.51972%0.719SS.*SBend-145.2107.886.427.2-5.7000113.6K933P254-K933 WeakPolarHBondContact O-CE 3.04Å; P254-K933 PolarHBondContact O-NZ 2.9Å
255G31.8Very low33.2Very low77 Ų77128.6 Ų128.679%0.79475%0.748SS**SBendtrans-173.63.7177.600000117.5
256L28.5Very low31.7Very low103 Ų103128.4 Ų128.454%0.53976%0.757SS.*  trans-140.485.5-179.2-158.376.4000111.1F246F246-L256 HydrophobicContact CD1-CD2 3.96Å; F246-L256 HydrophobicContact CE1-CD1 4.23Å; F246-L256 HydrophobicContact CE1-CD2 4.27Å; F246-L256 HydrophobicContact CG-CD2 4.32Å
257I27.5Very low31Very low175 Ų175126.6 Ų126.690%0.89776%0.761SS**  trans-126.362.8163.5-50.4-178.8000107.8
258V30.8Very low30.3Very low114 Ų114130.5 Ų130.569%0.69176%0.764SS**SBendtrans-142.7118.8159.6-179.60000106
259L32.9Very low29.8Very low164 Ų164131.1 Ų131.186%0.85977%0.772SS**SBendtrans72.6141.4-178.9-61.5155.8000117.1
260A26Very low30Very low104 Ų104133.1 Ų133.186%0.8679%0.786SS**  trans65.974.1170.900000118.2
261A23.3Very low29.9Very low103 Ų103127.3 Ų127.385%0.85178%0.777SS**  trans-13187.3149.600000109.6
262I29.2Very low29.6Very low161 Ų161126.9 Ų126.983%0.82677%0.77SS**  trans-147.5126.2167.4-33.3176.4000101.8
263T29.2Very low30.4Very low114 Ų114130 Ų13070%0.69977%0.772SS**  cis-142.3177.445.543.10000112.8
264P30.9Very low30.8Very low129 Ų129126.5 Ų126.584%0.83877%0.767SS**  -112.6162.6120.234.5-35.4000112
265E30.4Very low30.6Very low193 Ų193130 Ų13090%0.90278%0.781SS**  trans-87.5140-178.5-60.1-171.1148.300113
266S25.7Very low31.2Very low119 Ų119131.5 Ų131.583%0.83278%0.78SS**  trans-157.8153.1138.2-168.10000109.3
267S30.1Very low32Very low98 Ų98131.8 Ų131.869%0.68579%0.79SS**  trans-83.6168178.855.30000111.5
268L26.6Very low32.6Very low157 Ų157132.3 Ų132.382%0.82279%0.789SS**  cis-144.9156.823.6-73159.6000112.3
269D28.1Very low33Very low161 Ų161135.1 Ų135.186%0.86180%0.799SS**  trans42.4140.9143.1-137.225.8000121.4
270S35.4Very low33.3Very low103 Ų103133 Ų13372%0.7279%0.793SS**  cis-147.5-158.89.4740000112
271G34.5Very low34.1Very low70 Ų70134.2 Ų134.272%0.72279%0.785SS**  trans-78.1-172.5-175.700000116.6
272H29.9Very low35.2Very low165 Ų165134.2 Ų134.276%0.76477%0.774SS**  cis-145.7-178.67.6114.7102.7000113.8
273E42.5Very low36Very low142 Ų142130.2 Ų130.266%0.66476%0.761SS**  trans-56.3149.2-172.6-48.6145.1106.500114.6
274T37.5Very low36.5Very low125 Ų125131.8 Ų131.877%0.76776%0.76SS**  -178.8161.470.5320000113.7
275N32.8Very low36.9Very low153 Ų153131.6 Ų131.682%0.81875%0.75SS**  trans80.3153.6152-147.610.4000119.1
276S43.5Very low37.5Very low108 Ų108126.8 Ų126.876%0.75573%0.733SS**  trans-161.5174.2-168.3-56.20000111.6
277S44.8Very low38.2Very low109 Ų109124.5 Ų124.576%0.76272%0.717SS**  trans92.2106.9164.3-176.60000118.3
278E40.8Very low38.5Very low187 Ų187122.3 Ų122.387%0.87471%0.705SS**  trans-147.385.4131.1-123.3171.2-143.300110.5
279L39.4Very low38.9Very low173 Ų173121.5 Ų121.591%0.90670%0.699SS**  trans-111.295170.5-98.5169.6000108.6
280T38.5Very low39.6Very low120 Ų120121 Ų12174%0.73669%0.689SS**  trans-89.6150.6176.940.10000112.4
281D43.1Very low39.6Very low128 Ų128123.3 Ų123.368%0.68469%0.689SS**  trans-72.6135.8-157.6-109.7-54.4000115.5S283 E284D281-S283 PolarHBondContact O-N 3.25Å; D281-E284 PolarHBondContact O-N 3.15Å
282V46.5Very low40Very low103 Ų103125.6 Ų125.662%0.62468%0.684SS**Hα-helixtrans-56-20.3170.4-178.90000112.2E284 M285V282-E284 PolarHBondContact O-N 3.26Å; V282-M285 HydrophobicContact CG1-CE 4.15Å; V282-M285 PolarHBondContact O-N 2.94Å
283S46.1Very low40.4Very low78 Ų78125.4 Ų125.455%0.54568%0.684SS.*Hα-helixtrans-65-30.9179.5-153.40000114.2D281 S287D281-S283 PolarHBondContact O-N 3.25Å; S283-S287 PolarHBondContact O-N 3.07Å; S283-S287 PolarHBondContact O-OG 3.16Å
284E40.4Very low40.4Very low147 Ų147122.9 Ų122.969%0.68768%0.675SS**Hα-helixtrans-70.1-38.9177.4-67.7-153.5125.400111.8D281 V282 V286 S287 A288D281-E284 PolarHBondContact O-N 3.15Å; V282-E284 PolarHBondContact O-N 3.26Å; E284-V286 VanDerWaalsContact C-N 3.32Å; E284-V286 PolarHBondContact O-N 3.14Å; E284-S287 CarbonylContact O-C 3.57Å; E284-S287 WeakPolarHBondContact O-CA 3.46Å; E284-S287 WeakPolarHBondContact O-CB 3.21Å; E284-S287 PolarHBondContact O-N 3.43Å; E284-A288 PolarHBondContact O-N 3.36Å
285M37.8Very low40.4Very low125 Ų125123.7 Ų123.762%0.61667%0.67SS**Hα-helixtrans-60.5-39.9178.5-178.9163.348.400112.2V282 S287 A288 M289V282-M285 HydrophobicContact CG1-CE 4.15Å; V282-M285 PolarHBondContact O-N 2.94Å; M285-S287 VanDerWaalsContact C-N 3.33Å; M285-A288 PolarHBondContact O-N 3.43Å; M285-M289 WeakPolarHBondContact O-CG 3.33Å; M285-M289 PolarHBondContact O-N 2.96Å; M285-M289 VanDerWaalsContact O-N 3.1Å
286V43.8Very low40.7Very low92 Ų92120 Ų12056%0.55866%0.66SS**Hα-helixtrans-67.1-35.6174.1-179.40000111.4E284 K290E284-V286 VanDerWaalsContact C-N 3.32Å; E284-V286 PolarHBondContact O-N 3.14Å; V286-K290 PolarHBondContact O-N 3.41Å
287S39.8Very low40.6Very low70 Ų70120 Ų12049%0.4965%0.645SS.*Hα-helixtrans-70-39.3177.5-59.70000112.1S283 E284 M285 K290 Q291S283-S287 PolarHBondContact O-N 3.07Å; S283-S287 PolarHBondContact O-OG 3.16Å; E284-S287 CarbonylContact O-C 3.57Å; E284-S287 WeakPolarHBondContact O-CA 3.46Å; E284-S287 WeakPolarHBondContact O-CB 3.21Å; E284-S287 PolarHBondContact O-N 3.43Å; M285-S287 VanDerWaalsContact C-N 3.33Å; S287-K290 PolarHBondContact O-N 3.4Å; S287-K290 VanDerWaalsContact O-N 3.15Å; S287-Q291 PolarHBondContact O-N 3.21Å; S287-Q291 VanDerWaalsContact O-N 3.15Å
288A35.8Very low40.3Very low53 Ų53119.6 Ų119.644%0.43863%0.634SS.*Hα-helixtrans-64.7-39.1174.100000112.6E284 M285 K290 N292E284-A288 PolarHBondContact O-N 3.36Å; M285-A288 PolarHBondContact O-N 3.43Å; A288-K290 VanDerWaalsContact C-N 3.27Å; A288-K290 PolarHBondContact O-N 3.42Å; A288-N292 PolarHBondContact O-ND2 3.39Å
289M36.6Very low40.2Very low140 Ų140116.1 Ų116.169%0.6962%0.62SS**Hα-helixtrans-60.3-38.2171-72.6-176.174.200111.9M285 N292M285-M289 WeakPolarHBondContact O-CG 3.33Å; M285-M289 PolarHBondContact O-N 2.96Å; M285-M289 VanDerWaalsContact O-N 3.1Å; M289-N292 PolarHBondContact O-N 3.43Å
290K41.3Very low40.2Very low151 Ų151110.7 Ų110.766%0.65760%0.601SS**Hα-helixtrans-74.8-30.4-175.9-158.6172.4-174.2177.60114V286 S287 A288 N292 Q293V286-K290 PolarHBondContact O-N 3.41Å; S287-K290 PolarHBondContact O-N 3.4Å; S287-K290 VanDerWaalsContact O-N 3.15Å; A288-K290 VanDerWaalsContact C-N 3.27Å; A288-K290 PolarHBondContact O-N 3.42Å; K290-N292 PolarHBondContact O-N 2.82Å; K290-Q293 PolarHBondContact O-N 3.26Å
291Q37.2Very low40.1Very low151 Ų151109.6 Ų109.671%0.70659%0.587SS**Hα-helixtrans-59.2-36.9173.5-80.4-168.2-10.100112.5S287 Q293 N294S287-Q291 PolarHBondContact O-N 3.21Å; S287-Q291 VanDerWaalsContact O-N 3.15Å; Q291-Q293 PolarHBondContact O-N 3.24Å; Q291-Q293 VanDerWaalsContact O-N 3.17Å; Q291-N294 PolarHBondContact O-N 2.98Å; Q291-N294 VanDerWaalsContact O-N 3.17Å
292N41.3Very low39.8Very low118 Ų118107.9 Ų107.963%0.63157%0.574SS**THydrogen-bonded Turntrans-67.6-14.3-174.9-79.2-74.3000114.7A288 M289 K290A288-N292 PolarHBondContact O-ND2 3.39Å; M289-N292 PolarHBondContact O-N 3.43Å; K290-N292 PolarHBondContact O-N 2.82Å
293Q38.8Very low39.8Very low160 Ų160107.2 Ų107.275%0.74857%0.567SS**THydrogen-bonded Turntrans-84.8-13175.2-69.9-174.5-2200114K290 Q291 Q295K290-Q293 PolarHBondContact O-N 3.26Å; Q291-Q293 PolarHBondContact O-N 3.24Å; Q291-Q293 VanDerWaalsContact O-N 3.17Å; Q293-Q295 PolarHBondContact O-N 3.02Å
294N42.8Very low39.3Very low89 Ų89109.9 Ų109.948%0.47658%0.575SS.*THydrogen-bonded Turntrans-81.9-9.1-170.6-71.6-44.6000115.6Q291 A296 Y297 L298Q291-N294 PolarHBondContact O-N 2.98Å; Q291-N294 VanDerWaalsContact O-N 3.17Å; N294-A296 VanDerWaalsContact C-N 3.32Å; N294-A296 PolarHBondContact O-N 3.42Å; N294-Y297 PolarHBondContact O-N 2.94Å; N294-Y297 VanDerWaalsContact O-N 3.16Å; N294-L298 PolarHBondContact O-N 3.07Å
295Q37.6Very low39.1Very low142 Ų142110.2 Ų110.266%0.66457%0.574SS**Hα-helixtrans-62.2-36.2-175.3-67.3-171.6-2.700113.3Q293 Y297 L298 L299Q293-Q295 PolarHBondContact O-N 3.02Å; Q295-Y297 VanDerWaalsContact C-N 3.32Å; Q295-Y297 PolarHBondContact O-N 3.36Å; Q295-L298 PolarHBondContact O-N 3.35Å; Q295-L299 PolarHBondContact O-N 2.99Å; Q295-L299 VanDerWaalsContact O-N 3.16Å
296A39.4Very low39.1Very low75 Ų75110.9 Ų110.962%0.6258%0.575SS**Hα-helixtrans-64-35.8177.100000112.8N294 L299 A300N294-A296 VanDerWaalsContact C-N 3.32Å; N294-A296 PolarHBondContact O-N 3.42Å; A296-L299 PolarHBondContact O-N 2.65Å; A296-A300 PolarHBondContact O-N 2.88Å
297Y40.8Very low38.8Very low109 Ų109116 Ų11643%0.42759%0.585SS.*Hα-helixtrans-70-41.4179.6-162.4-95.7000111.7N294 Q295 L299 A300 H301 P961 Q963N294-Y297 PolarHBondContact O-N 2.94Å; N294-Y297 VanDerWaalsContact O-N 3.16Å; Q295-Y297 VanDerWaalsContact C-N 3.32Å; Q295-Y297 PolarHBondContact O-N 3.36Å; Y297-L299 VanDerWaalsContact C-N 3.3Å; Y297-L299 PolarHBondContact O-N 3.34Å; Y297-A300 PolarHBondContact O-N 3.23Å; Y297-H301 VanDerWaalsContact O-CB 3.31Å; Y297-H301 WeakPolarHBondContact O-CB 3.14Å; Y297-H301 PolarHBondContact O-N 2.95Å; Y297-P961 HydrophobicContact CE2-CG 4.26Å; Y297-Q963 PolarHBondContact OH-NE2 3.21Å
298L38.6Very low38.9Very low101 Ų101117.8 Ų117.853%0.52959%0.588SS.*Hα-helixtrans-61.7-35.8173.7-95.1153.1000112.8N294 Q295 H302N294-L298 PolarHBondContact O-N 3.07Å; Q295-L298 PolarHBondContact O-N 3.35Å; L298-H302 PolarHBondContact O-N 2.93Å; L298-H302 VanDerWaalsContact O-N 3.14Å; L298-H302 PolarHBondContact O-ND1 3.03Å
299L39.7Very low38.9Very low113 Ų113123 Ų12359%0.59261%0.607SS**Hα-helixtrans-67.3-50.8175-114159.7000111.9Q295 A296 Y297 H301 H302 I303Q295-L299 PolarHBondContact O-N 2.99Å; Q295-L299 VanDerWaalsContact O-N 3.16Å; A296-L299 PolarHBondContact O-N 2.65Å; Y297-L299 VanDerWaalsContact C-N 3.3Å; Y297-L299 PolarHBondContact O-N 3.34Å; L299-H301 VanDerWaalsContact C-N 3.29Å; L299-H301 PolarHBondContact O-N 3.46Å; L299-H302 PolarHBondContact O-N 2.96Å; L299-I303 HydrophobicContact CD2-CD1 4.36Å; L299-I303 WeakPolarHBondContact O-CG1 3.45Å; L299-I303 PolarHBondContact O-N 3.02Å; L299-I303 VanDerWaalsContact O-N 3.15Å
300A38.3Very low39Very low60 Ų60121.1 Ų121.150%0.49661%0.607SS.*Hα-helixtrans-59.9-38.7176.500000112.4A296 Y297 N304A296-A300 PolarHBondContact O-N 2.88Å; Y297-A300 PolarHBondContact O-N 3.23Å; A300-N304 PolarHBondContact O-N 3.34Å
301H35.6Very low38.5Very low97 Ų97124.7 Ų124.745%0.44962%0.616SS.*Hα-helixtrans-66.9-38.7177.9-170.9-101.8000112.8Y297 L299 K305Y297-H301 VanDerWaalsContact O-CB 3.31Å; Y297-H301 WeakPolarHBondContact O-CB 3.14Å; Y297-H301 PolarHBondContact O-N 2.95Å; L299-H301 VanDerWaalsContact C-N 3.29Å; L299-H301 PolarHBondContact O-N 3.46Å; H301-K305 WeakPolarHBondContact O-CB 3.48Å; H301-K305 PolarHBondContact O-N 3.29Å
302H38.4Very low38.5Very low91 Ų91128.8 Ų128.842%0.42163%0.625SS.*Hα-helixtrans-65.8-44.9174.8-83.188.9000112.6L298 L299 N304 K305 E306L298-H302 PolarHBondContact O-N 2.93Å; L298-H302 VanDerWaalsContact O-N 3.14Å; L298-H302 PolarHBondContact O-ND1 3.03Å; L299-H302 PolarHBondContact O-N 2.96Å; H302-N304 PolarHBondContact O-N 3.4Å; H302-K305 PolarHBondContact O-N 3.19Å; H302-E306 PolarHBondContact O-N 3.18Å; H302-E306 VanDerWaalsContact O-N 3.07Å
303I46.3Very low37.9Very low90 Ų90129.7 Ų129.746%0.46263%0.63SS.*Hα-helixtrans-57.8-38.5178.9-66.4164.4000111.3L299L299-I303 HydrophobicContact CD2-CD1 4.36Å; L299-I303 WeakPolarHBondContact O-CG1 3.45Å; L299-I303 PolarHBondContact O-N 3.02Å; L299-I303 VanDerWaalsContact O-N 3.15Å
304N35.4Very low37.2Very low134 Ų134132.2 Ų132.272%0.71764%0.639SS**Hα-helixtrans-72.4-39.3175.6-165.628000112.5A300 H302 E306 R307A300-N304 PolarHBondContact O-N 3.34Å; H302-N304 PolarHBondContact O-N 3.4Å; N304-E306 VanDerWaalsContact C-N 3.34Å; N304-E306 PolarHBondContact O-N 3.31Å; N304-R307 PolarHBondContact O-N 3.24Å
305K36.3Very low36.5Very low154 Ų154132.8 Ų132.867%0.6765%0.648SS**Hα-helixtrans-65.2-33.1-178.9-169178.2179-173.40113.1H301 H302H301-K305 WeakPolarHBondContact O-CB 3.48Å; H301-K305 PolarHBondContact O-N 3.29Å; H302-K305 PolarHBondContact O-N 3.19Å
306E36.5Very low35.8Very low138 Ų138134.3 Ų134.365%0.64566%0.657SS**THydrogen-bonded Turntrans-87.70.6-178-65.8-163.2164.800115.2H302 N304 I308H302-E306 PolarHBondContact O-N 3.18Å; H302-E306 VanDerWaalsContact O-N 3.07Å; N304-E306 VanDerWaalsContact C-N 3.34Å; N304-E306 PolarHBondContact O-N 3.31Å; E306-I308 HydrophobicContact CB-CD1 3.99Å; E306-I308 HydrophobicContact CB-CG1 3.94Å; E306-I308 PolarHBondContact O-N 2.83Å
307R37.9Very low35.1Very low200 Ų200135.1 Ų135.176%0.75566%0.663SS**THydrogen-bonded Turntrans52.732.6180-65-174.2171-175.1-1.3114.8N304 L309 C310N304-R307 PolarHBondContact O-N 3.24Å; R307-L309 PolarHBondContact O-N 2.88Å; R307-C310 HydrophobicContact CB-CB 4.44Å; R307-C310 WeakPolarHBondContact O-CB 3.47Å; R307-C310 PolarHBondContact O-N 3.44Å; R307-C310 VanDerWaalsContact O-N 3.11Å
308I43.3Very low34.5Very low107 Ų107138 Ų13855%0.54968%0.684SS.*THydrogen-bonded Turntrans-58.4-26.2-174.8-67.8161.5000112.5E306 C310E306-I308 HydrophobicContact CB-CD1 3.99Å; E306-I308 HydrophobicContact CB-CG1 3.94Å; E306-I308 PolarHBondContact O-N 2.83Å; I308-C310 PolarHBondContact O-N 2.99Å
309L34.9Very low34Very low162 Ų162138.9 Ų138.985%0.84870%0.696SS**THydrogen-bonded Turntrans-94.844.6175.1-60.1-179.9000113.8R307R307-L309 PolarHBondContact O-N 2.88Å
310C38Very low33.8Very low101 Ų101137 Ų13768%0.68270%0.704SS**  trans-126.253.7173.1-85.80000113.5R307 I308R307-C310 HydrophobicContact CB-CB 4.44Å; R307-C310 WeakPolarHBondContact O-CB 3.47Å; R307-C310 PolarHBondContact O-N 3.44Å; R307-C310 VanDerWaalsContact O-N 3.11Å; I308-C310 PolarHBondContact O-N 2.99Å
311R30.4Very low33.3Very low226 Ų226139.9 Ų139.985%0.85372%0.719SS**  trans-117.1122.9152-79.3-166.4174.6-147.91.1110.4
312R38.3Very low33.2Very low237 Ų237141.4 Ų141.489%0.89474%0.735SS**  trans-77.4129.2148.5-57176.6-167138.93105.7
313D27.7Very low32.7Very low137 Ų137141 Ų14173%0.73375%0.748SS**  trans177.487.1151.6-88.5-25.4000107.8
314F25.4Very low31.8Very low214 Ų214145.6 Ų145.694%0.93977%0.765SS**  trans-130.292.5173-96.2-71.7000109.9
315P26.9Very low31.4Very low101 Ų101145.2 Ų145.266%0.65677%0.768SS**  trans-90.4140168.734.1-30.6000111.5
316M24.4Very low31.1Very low174 Ų174145.6 Ų145.686%0.85778%0.775SS**  trans67.9122172.3-52.4-174.4-65.300114.9
317A24.5Very low30.6Very low91 Ų91142 Ų14275%0.75278%0.776SS**  72.4108.552.500000113
318I27.3Very low30Very low170 Ų170139.7 Ų139.787%0.87278%0.784SS**PPolyproline II helixtrans-88.5121.5174.1-62.2173.1000108.6
319P29Very low29.2Very low120 Ų120138.3 Ų138.378%0.77980%0.796SS**PPolyproline II helixtrans-75.8124.1174.2-14.330.3000111.7
320G34.3Very low28.7Very low74 Ų74134.3 Ų134.376%0.76379%0.786SS**PPolyproline II helixtrans-99.8128.6169.200000111.7
321C29.3Very low28.3Very low120 Ų120138.5 Ų138.581%0.81179%0.793SS**  trans-160.8140.9-176.1-99.60000109.1
322T32.2Very low28Very low128 Ų128133.9 Ų133.979%0.78579%0.79SS**  cis-145.8161.4-8.450.40000106.8
323A27.8Very low27.6Very low84 Ų84128.9 Ų128.969%0.69479%0.786SS**  174.7161.563.900000108.1
324K29Very low27.5Very low185 Ų185126 Ų12680%0.80479%0.788SS**  cis-164.3145.91.4-124.4175.5-176.9-176.80109.2
325T26.9Very low27.8Very low127 Ų127124.4 Ų124.478%0.77978%0.784SS**  trans50.9134.1151.553.40000119.5
326I28.8Very low28Very low161 Ų161127.5 Ų127.583%0.82679%0.793SS**  cis-143.6160.725-62.2177.2000107.2
327G25.6Very low28.2Very low64 Ų64130.2 Ų130.266%0.6679%0.794SS**  cis134.9179.31.500000112.5
328T26Very low28.3Very low150 Ų150130.8 Ų130.892%0.9280%0.799SS**  trans70.6126.6176.5-42.80000117.7
329G26.3Very low28.1Very low78 Ų78126.1 Ų126.180%0.80479%0.792SS**  trans138119.5167.300000115.1
330A25.7Very low28.2Very low78 Ų78126.5 Ų126.565%0.64580%0.796SS**  trans-94.2172.1175.500000110.7
331F27.7Very low28.4Very low189 Ų189128.9 Ų128.983%0.82980%0.798SS**  cis-154.1145.737.5-75-90.6000115.8
332T24.6Very low29.4Very low129 Ų129128.5 Ų128.579%0.79179%0.794SS**  trans44.9137.2131.8-39.90000123.3
333V30.1Very low29.3Very low132 Ų132130.8 Ų130.880%0.879%0.793SS**  trans-88150.1174.3170.60000112.5
334G26.8Very low29.3Very low76 Ų76133.8 Ų133.878%0.78479%0.793SS**  trans-124.6140.1165.500000112.5
335Q31.8Very low29.2Very low181 Ų181130.8 Ų130.885%0.84679%0.79SS**  trans-108.5-179.3-179.4-63.7179-76.800112.4
336I31.1Very low29.1Very low167 Ų167132.6 Ų132.686%0.85679%0.793SS**  trans115144.8152.9-62.7161.5000113.4
337R27.2Very low29.1Very low231 Ų231131.4 Ų131.487%0.87279%0.788SS**  cis-178.7156.9-37.3-159.6178.5-170.8-176.53.9106.2
338A26.5Very low29.2Very low103 Ų103134.2 Ų134.285%0.85180%0.797SS**  trans69.5153.2173.200000116.3
339G23.8Very low29.5Very low72 Ų72135.8 Ų135.874%0.74279%0.791SS**  cis-157179.53.300000115
340C29.9Very low29.5Very low127 Ų127139 Ų13986%0.85880%0.795SS**  trans-151.4171.9-177.8-850000106.4
341P39.8Very low29.7Very low124 Ų124141.7 Ų141.781%0.80580%0.804SS**  cis-151.9-143.440.553.1-30.1000112.8
342P50.5Low30.2Very low112 Ų112138.2 Ų138.273%0.72780%0.8SS**  trans-133.5-164-147.637.7-11.4000116
343K28.8Very low30.1Very low176 Ų176141 Ų14177%0.76580%0.801SS**  trans137.4158.7160.5-80.4170.5176.9-177.80111
344Q28.3Very low29.9Very low147 Ų147143.4 Ų143.469%0.68780%0.801SS**  cis-149.9142.5-2.1-119.2155.5-37.900108.3
345V26.9Very low29.7Very low122 Ų122146.1 Ų146.174%0.73980%0.802SS**  60.7125.397.2-178.20000113.7
346I25.9Very low29.5Very low166 Ų166142.6 Ų142.685%0.85180%0.797SS**  -145158.188.6-84.1166.7000113
347L28.3Very low29.9Very low136 Ų136140.8 Ų140.871%0.71280%0.797SS**  trans-132.5150-174.4-135.1169.4000109.4
348S27.4Very low29.8Very low122 Ų122133.1 Ų133.185%0.85379%0.79SS**  trans-157.3152.3156.2-84.20000111.9
349K31.7Very low30Very low184 Ų184137.5 Ų137.580%0.879%0.792SS**  trans-136150177.4-66.3176.7177.6177.20109.5
350T26.8Very low30Very low145 Ų145141.8 Ų141.889%0.8980%0.798SS**  trans-167.8156.7142.37.70000111.3
351V30.7Very low30.2Very low135 Ų135140.3 Ų140.382%0.81879%0.789SS**  trans-149.7142.1172.5-159.20000106.6
352P36.8Very low29.7Very low115 Ų115140.1 Ų140.175%0.74779%0.786SS**  -151.6155.7116.736.4-18.5000117.3
353F24Very low28.5Very low188 Ų188142.3 Ų142.383%0.82579%0.79SS**  trans24.3116.6144.7-73.8-97.3000123.4
354K25.1Very low28.3Very low183 Ų183141.1 Ų141.180%0.79679%0.791SS**  56.3142.6104.1-158.6-170.1178.4-1740121.1
355V22.8Very low28.2Very low133 Ų133145 Ų14581%0.80680%0.8SS**  trans114.2141.6159-179.70000114.4
356S28.3Very low28.5Very low106 Ų106144.9 Ų144.974%0.74180%0.799SS**  trans-122.2151.9174.749.60000109.5
357P38.8Very low28.9Very low130 Ų130142.6 Ų142.684%0.84479%0.792SS**  -156.2-174.188.342.4-23.4000116
358G24.7Very low29.1Very low70 Ų70142.4 Ų142.472%0.72280%0.797SS**  trans114.398139.700000120.6
359Q31.6Very low29.6Very low195 Ų195144 Ų14491%0.91179%0.791SS**  trans25.7145.7141.9-66-179.7-43.700124.2
360D23.9Very low29.8Very low161 Ų161143.4 Ų143.486%0.86179%0.791SS**  -152.4174.1127.1-132.8-30.3000111.7
361S33.5Very low29.9Very low97 Ų97139.9 Ų139.968%0.67878%0.783SS**  trans-153.5176.1-16269.10000119.6
362T28.3Very low29.8Very low120 Ų120136.6 Ų136.674%0.73678%0.777SS**  trans78.7128.2171.5-12.60000115.8
363I26.4Very low29.5Very low158 Ų158137.4 Ų137.481%0.8178%0.78SS**  -180154.380-101.7170.2000108.4
364L25.1Very low29.7Very low150 Ų150136.5 Ų136.579%0.78578%0.778SS**  cis-149.7-112-23.4-170.161.8000111.1
365R25.9Very low29.9Very low229 Ų229133 Ų13386%0.86477%0.768SS**  trans-170.6169.6-167.4-133.4-178.3177.3178.6-1.3116.5
366V31.9Very low30.2Very low120 Ų120132.9 Ų132.973%0.72777%0.768SS**  trans78.3142.9151.8157.20000116.9
367V34.7Very low30.2Very low118 Ų118132.4 Ų132.472%0.71576%0.764SS**  cis-97.7-11715.4-159.90000114.5
368T33.2Very low29.8Very low132 Ų132134.2 Ų134.281%0.8176%0.761SS**  cis-156.3167.98.8-43.80000112
369E36.8Very low29.8Very low154 Ų154136.2 Ų136.272%0.7276%0.76SS**  trans-104.8171.2-169.7-65.1-173.699.300113.4
370Q35.6Very low29.7Very low173 Ų173134.8 Ų134.881%0.80875%0.753SS**  cis-150.3-175.3-2.2-128.1172.160.800105.9
371G29.1Very low29.7Very low70 Ų70134.6 Ų134.672%0.72275%0.747SS**  cis154.8145.24.300000107.9
372G28.8Very low29.6Very low66 Ų66137.2 Ų137.268%0.6875%0.746SS**  cis-177.3-164.8-1.500000111.5
373T30.7Very low29.6Very low132 Ų132137 Ų13781%0.8175%0.745SS**  trans58.9122.7168.9490000117.2
374Q29.5Very low29.5Very low170 Ų170136.2 Ų136.279%0.79474%0.738SS**  cis-146.3-161.114.8-72.1-149.8-99.600110.4
375D28.5Very low29.4Very low110 Ų110136 Ų13659%0.58874%0.736SS**  -178.1151.8-65.7-70.4-32.9000105
376T29.7Very low29.2Very low129 Ų129133.2 Ų133.279%0.79173%0.731SS**  cis-152.6-168.6-1319.70000104.2
377S28.7Very low28.8Very low96 Ų96132.2 Ų132.267%0.67174%0.735SS**  cis-168.4160.4717.10000104.5
378Q28.9Very low28.1Very low168 Ų168132.7 Ų132.779%0.78573%0.732SS**  cis-155.21641.5-109.6165.1-4.200105.2
379T25.9Very low27.6Very low112 Ų112130.4 Ų130.469%0.68772%0.721SS**  57.2118.367.5-30.50000110.8
380E28.1Very low26.9Very low165 Ų165131.9 Ų131.977%0.77173%0.728SS**  cis-162.8-164.37-143.1168.7-135.100110.8
381Q25Very low26.3Very low158 Ų158128 Ų12874%0.73872%0.72SS**  trans73.1135.8162.4-88.6-173.860.100116
382K31.3Very low26.1Very low151 Ų151129.9 Ų129.966%0.65772%0.717SS**  107.5104.879.8177.9177174.3-169.50109.9
383V27.2Very low25.9Very low116 Ų116135.4 Ų135.470%0.70372%0.723SS**  78.7162.6107.5173.70000114.4
384E25.5Very low25.6Very low142 Ų142132.9 Ų132.966%0.66472%0.715SS**  trans70.1128.3171.9-81.6141.1162.500115.8
385L22.1Very low25.3Very low145 Ų145131.5 Ų131.576%0.75971%0.713SS**  63.3113.966.8-64.3161000110.9
386K22.8Very low25.1Very low171 Ų171132 Ų13274%0.74372%0.721SS**  69.271.461.9-166.1-159177-171.40112.7
387A22.6Very low24.8Very low98 Ų98133.4 Ų133.481%0.8172%0.722SS**  trans-114.5116.5144.900000106.4
388I21.2Very low24.6Very low129 Ų129136.1 Ų136.166%0.66272%0.724SS**  cis90.1134.248.3-68167.7000111.3
389S22.3Very low25Very low84 Ų84133.5 Ų133.559%0.58772%0.721SS**  trans61.8122.3160.570.10000118.9
390E22.2Very low25Very low184 Ų184134.8 Ų134.886%0.8672%0.724SS**  59.4153.6113.5-63.9166.5-175.900120.5
391S23.2Very low24.9Very low92 Ų92131 Ų13164%0.64372%0.715SS**  cis-172.3-166.6-18.357.50000107.6
392V24.3Very low24.9Very low109 Ų109132.3 Ų132.366%0.66172%0.719SS**  trans69.8121.7150163.80000117.3
393K24.3Very low24.6Very low182 Ų182134.7 Ų134.779%0.79173%0.729SS**  trans20.7142.2130.9-31.9168.6-170.8171.80116.4
394A24.5Very low24.4Very low79 Ų79133.7 Ų133.765%0.65373%0.727SS**  cis-173.5156.247.900000113.7
395N23.6Very low24.3Very low141 Ų141134.4 Ų134.475%0.75473%0.731SS**  trans51.2113.9135.2-584.5000121.3
396T23.7Very low24.3Very low121 Ų121134 Ų13474%0.74273%0.725SS**  52.6120.1113.4-28.50000119.2
397I24.3Very low25.2Very low159 Ų159131.1 Ų131.182%0.81572%0.723SS**  -178125.3108.9-90.7160.2000111.6
398E23.3Very low25.4Very low153 Ų153133.8 Ų133.872%0.71572%0.717SS**  trans-15.6156.1145.1-89.5-73.9139.100118D400E398-D400 PolarHBondContact OE2-N 2.94Å
399P37.1Very low25.5Very low112 Ų112136.5 Ų136.573%0.72772%0.724SS**  -154.3140.585.139.7-19.3000120.2
400D25.8Very low25.6Very low139 Ų139137.9 Ų137.974%0.74373%0.729SS**  trans79.2140.2135.1-103.2-49.3000119.4E398E398-D400 PolarHBondContact OE2-N 2.94Å
401S27.5Very low25.6Very low85 Ų85135.9 Ų135.959%0.59472%0.724SS**  cis-165.1162.125.355.70000117.8
402K24.3Very low26.2Very low187 Ų187137.2 Ų137.281%0.81373%0.73SS**  trans80.8103.5153.1-70.7158.1-176.6171.70123.1
403K23.9Very low27.1Very low200 Ų200137.4 Ų137.487%0.8773%0.734SS**  40.9149.9120.9-62.3-170.7177.7-169.50121.7
404S23.3Very low27.2Very low95 Ų95136 Ų13666%0.66473%0.734SS**  cis-150.1-170.722.3-128.80000115.4
405E23.5Very low27.1Very low158 Ų158137.9 Ų137.974%0.73874%0.738SS**  trans-49.3149.2-168.2-66.1105.2140.800118.6
406E23.3Very low27.1Very low137 Ų137137.2 Ų137.264%0.6474%0.739SS**  70.6151.154.9-104.1-137.6122.700115K408E406-K408 WeakPolarHBondContact OE1-CG 3.35Å; E406-K408 IonicContact OE1-NZ 2.75Å; E406-K408 PolarHBondContact OE1-NZ 3.29Å; E406-K408 IonicContact OE2-NZ 2.64Å; E406-K408 PolarHBondContact OE2-NZ 2.84Å
407P41.3Very low27.1Very low109 Ų109140.6 Ų140.671%0.70875%0.746SS**  cis-118.8-174.81842.4-30.1000114.5
408K27Very low27.1Very low155 Ų155138.7 Ų138.767%0.67474%0.741SS**  cis-156.1-142.4-22.1-98.6171.6174570106.5E406E406-K408 WeakPolarHBondContact OE1-CG 3.35Å; E406-K408 IonicContact OE1-NZ 2.75Å; E406-K408 PolarHBondContact OE1-NZ 3.29Å; E406-K408 IonicContact OE2-NZ 2.64Å; E406-K408 PolarHBondContact OE2-NZ 2.84Å
409K23.4Very low27.3Very low186 Ų186138.7 Ų138.781%0.80975%0.746SS**  cis-166.7121.66.4-171.7-172.1173.7-171.20113.6
410V23.4Very low26.8Very low113 Ų113137.6 Ų137.669%0.68575%0.747SS**  trans57.798.4147.4-176.90000121.2
411N22.8Very low26.9Very low142 Ų142138 Ų13876%0.75975%0.749SS**  41.8156.2105.3-63.65.1000122.8
412P36.3Very low26.9Very low120 Ų120141.6 Ų141.678%0.77976%0.756SS**  cis-137.5-130.8-31.745.1-23.8000111.9
413P43.4Very low27Very low113 Ų113138.4 Ų138.473%0.73475%0.753SS**  trans-134.1-172.2-144.639.1-13.6000119
414L25.2Very low27.1Very low153 Ų153137.3 Ų137.380%0.80176%0.755SS**  trans91.8155.7147.3-139.176.7000120.9
415T22.5Very low27Very low118 Ų118137.1 Ų137.172%0.72475%0.754SS**  trans65.5125.6171.442.20000117.2
416T23.4Very low27Very low127 Ų127136.8 Ų136.878%0.77976%0.757SS**  cis85107.443.5-56.90000114.1
417Q24.1Very low27.1Very low191 Ų191135.1 Ų135.189%0.89376%0.76SS**  trans-172.2175.9131.6-108.8179.924.900113.9
418V24.7Very low26.4Very low119 Ų119134.6 Ų134.672%0.72176%0.759SS**  trans-141.3135.7-177.21710000108.1
419N27.3Very low26.3Very low153 Ų153135.8 Ų135.882%0.81877%0.767SS**  trans167.4155.3134.2-98.4-47.4000116.2
420A27.7Very low26.4Very low90 Ų90134.2 Ų134.274%0.74477%0.766SS**  trans69.1155.9139.300000121.9
421D27.4Very low26.5Very low146 Ų146133.8 Ų133.878%0.78176%0.764SS**  cis-173.5-176.7-32.2-156.5-10.3000109
422Q27.7Very low26.5Very low161 Ų161135.2 Ų135.275%0.75277%0.766SS**  trans83.392.4157-69.3171.949.200121.3
423T25.9Very low25.9Very low120 Ų120134 Ų13474%0.73676%0.761SS**  32.8135.3115.2600000122.6
424I24.9Very low25.1Very low177 Ų177136.4 Ų136.491%0.90876%0.762SS**  -161.7169.7125.4-101.4155000109.4
425S22.6Very low25.1Very low92 Ų92135.7 Ų135.764%0.64376%0.759SS**  trans-137-179.4-161.666.60000115.6
426N23.5Very low25.2Very low150 Ų150137.4 Ų137.480%0.80276%0.763SS**  trans94.5150.5168.5-51.9-12.7000115.1
427S25.5Very low25.3Very low103 Ų103135.9 Ų135.972%0.7276%0.757SS**  cis-164.1165.4-2.935.80000114.4
428S26.2Very low25.5Very low97 Ų97134.5 Ų134.568%0.67876%0.756SS**  trans63.4118.2142.857.70000123.8
429E24.1Very low25.5Very low180 Ų180132.3 Ų132.384%0.84176%0.757SS**  trans12.2143.2131.3-51.4177.1131.500121.7
430I26.8Very low25.7Very low154 Ų154129.4 Ų129.479%0.7976%0.755SS**  176.5116117.4-90.8161.2000114.9
431T23.9Very low25.7Very low103 Ų103134.1 Ų134.163%0.63276%0.759SS**  44.2112.8123.8-33.80000124.5
432Q24.1Very low25.8Very low172 Ų172132.9 Ų132.980%0.80475%0.751SS**  trans69.6125.7133.2-70.5177.5-2300126
433S23.5Very low26Very low96 Ų96133.4 Ų133.467%0.67175%0.75SS**  93.1142.4115.872.30000125.5
434Q26.3Very low26.2Very low163 Ų163133.6 Ų133.676%0.76275%0.752SS**  trans77.6104.9140.3-80.8174.24.500123.2
435N25.3Very low26.2Very low138 Ų138129.9 Ų129.974%0.73875%0.747SS**  61.1137.8113.4-65.69.9000123.9
436L25.3Very low26.3Very low153 Ų153129.9 Ų129.980%0.80175%0.753SS**  trans99.4116.4139.6-77.4156.6000122.8
437S25.7Very low27.4Very low95 Ų95128.3 Ų128.366%0.66475%0.751SS**  95.9134.3118.6670000124.4
438D26.8Very low27.6Very low162 Ų162131.3 Ų131.387%0.86676%0.758SS**  trans60.1101.5141.8-65.2-23.9000123
439G25.6Very low27.7Very low73 Ų73130.8 Ų130.875%0.75376%0.76SS**  96.5101.682.400000122.6
440A30.2Very low27.8Very low93 Ų93130 Ų13077%0.76976%0.76SS**  88149.6123.200000124.9
441K29Very low27.8Very low189 Ų189129.8 Ų129.882%0.82276%0.76SS**  trans95.6129.1140-81.3163.7-179.4162.30123.9
442I29.9Very low29.1Very low120 Ų120130 Ų13062%0.61576%0.763SS**  122.1113.3113.6-92.8170.9000123.2
443K31.8Very low29.5Very low171 Ų171128.4 Ų128.474%0.74376%0.759SS**  trans61.9174.2143.5-51.8172.3-166.5168.20120.5
444T28.3Very low29.9Very low124 Ų124131.6 Ų131.676%0.76176%0.763SS**  cis-157157.27.5-21.40000115.5
445A25.3Very low30.1Very low99 Ų99132.7 Ų132.782%0.81877%0.765SS**  trans81148.9141.400000124.1
446A25.6Very low30.1Very low93 Ų93130.8 Ų130.877%0.76977%0.769SS**  trans-141.1168.6162.300000107.8
447P45.9Very low30.3Very low117 Ų117130.8 Ų130.876%0.7677%0.768SS**  -162.4162.888.541.9-20.7000120.2
448L29.4Very low31.1Very low165 Ų165131.1 Ų131.186%0.86477%0.769SS**  trans56.2103.7139.6-66.6168.5000125.2
449A28.8Very low31.1Very low87 Ų87132 Ų13272%0.71976%0.764SS**  89.7150.2103.600000125.6
450I26.4Very low31.2Very low164 Ų164135.5 Ų135.584%0.84177%0.765SS**  trans110.9122.3157.3-57.7179.7000118.2
451D27.4Very low31Very low148 Ų148138.6 Ų138.679%0.79177%0.768SS**  trans-87-160.5178.3-61.3-76.4000112.7
452P50.9Low31.8Very low108 Ų108134.3 Ų134.370%0.70176%0.759SS**  cis-141-178.2-3.728.7-2.4000117.3
453I31.3Very low31.7Very low139 Ų139134.6 Ų134.671%0.71377%0.766SS**  161.8111.6117.7-84.2176.7000114.5
454H32.4Very low31.4Very low162 Ų162132.9 Ų132.975%0.7577%0.765SS**  trans62.1154.4148.7-72-106.8000120.6
455K30Very low31.4Very low187 Ų187132.4 Ų132.481%0.81376%0.762SS**  cis-154.8152.620.2-141.4158.3-169.3175.20113.5
456A25.4Very low31.4Very low98 Ų98132.9 Ų132.981%0.8176%0.759SS**  trans81.9149.316400000120.5
457L29.2Very low31.5Very low152 Ų152134.6 Ų134.680%0.79676%0.76SS**  trans-170.5-169.5-162.6-101.9152.5000106.7
458P43.2Very low30.5Very low103 Ų103133.9 Ų133.967%0.66976%0.758SS**  cis-137.4169.6-6.424.61.2000118.3
459K26.7Very low30.5Very low179 Ų179132.1 Ų132.178%0.77875%0.753SS**  trans26.5144.8131.7-49.8174.8-178.1-179.20121.4
460I27.2Very low30.4Very low148 Ų148136.6 Ų136.676%0.75976%0.757SS**  cis80.4104.135.4-59.3179000115.9
461L27.1Very low30.4Very low158 Ų158134.6 Ų134.683%0.82775%0.747SS**  trans63.7172.4150.2-66.6174.4000120.2
462P46.3Very low30.3Very low99 Ų99133.3 Ų133.364%0.64375%0.749SS**  cis-143-166-46.142-24.6000115.5
463V26.5Very low29.3Very low126 Ų126133 Ų13376%0.76475%0.75SS**  trans75.9146152.1160.80000116.6
464D25.7Very low29.1Very low134 Ų134131.8 Ų131.872%0.71775%0.749SS**  cis-148165.222.1-144.3-34.8000116.3
465T27.8Very low29Very low115 Ų115130.5 Ų130.571%0.70675%0.747SS**  trans27.7126.7153.827.20000125.1
466S25.7Very low28.8Very low108 Ų108129.7 Ų129.776%0.75575%0.748SS**  160.6156.892.561.20000117.6
467V27.2Very low28.8Very low129 Ų129130.4 Ų130.478%0.78275%0.746SS**  trans77.2125.4157.1-168.20000123.1
468S26.8Very low28.8Very low103 Ų103131.6 Ų131.672%0.7275%0.748SS**  trans62.8106.5150-67.90000126.4
469V28.2Very low28Very low127 Ų127135.2 Ų135.277%0.7776%0.756SS**  58.6128.599.3175.90000122.3
470K26.7Very low28.1Very low181 Ų181130.1 Ų130.179%0.78775%0.747SS**  trans83.8111.1153.9-89.9175.9178.7-178.50122.5
471I27Very low28.2Very low123 Ų123132.4 Ų132.463%0.63175%0.752SS**  28.2119.9109.9-50.1168.4000117.2
472S25.6Very low28.3Very low120 Ų120131.4 Ų131.484%0.83975%0.752SS**  175.6161.9115.444.50000113.1
473S28.7Very low27.4Very low103 Ų103130.7 Ų130.772%0.7276%0.755SS**  trans-114.3174.9171.955.70000111.1
474T28Very low27.4Very low112 Ų112129.6 Ų129.669%0.68775%0.753SS**  trans89.5114.1155.9-20.90000118.5
475N29.7Very low27.7Very low135 Ų135128 Ų12872%0.72275%0.752SS**  trans46.9128.8146.2-63.7-10.8000122
476M25.1Very low27.7Very low170 Ų170131 Ų13184%0.83776%0.758SS**  -154.2163.4108.7-107-59.5102.400112.4
477C26.9Very low27.9Very low113 Ų113131.1 Ų131.176%0.76476%0.755SS**  trans-98.5155.5178.8-60.50000111.4
478Q28.8Very low28Very low178 Ų178133.4 Ų133.483%0.83276%0.759SS**  trans-156.8148.4155.1-117.9171.7-5.500114.3
479E27Very low27.9Very low178 Ų178137.9 Ų137.983%0.83277%0.765SS**  trans55.5137.8157-53.1-162.6126.300122.1
480A28.7Very low29Very low73 Ų73137 Ų13760%0.60376%0.762SS**  cis166.6148.3-20.300000106.9
481K28.9Very low29.1Very low196 Ų196133.1 Ų133.185%0.85276%0.758SS**  trans72.2147.6166.4-58.3154.2-176.4168.10115.5
482T29.2Very low29.2Very low136 Ų136132.3 Ų132.383%0.83476%0.763SS**  cis-141.2163.916.3-30.40000113.6
483A27.2Very low29.4Very low85 Ų85132.1 Ų132.170%0.70276%0.762SS**  trans-51.8164.7168.300000115.5
484S26.9Very low29.5Very low103 Ų103130.8 Ų130.872%0.7276%0.757SS**  cis-171.1-168.8-6.250.30000111.8
485S30.9Very low29.6Very low99 Ų99134 Ų13469%0.69276%0.764SS**  trans80.4100.3150.339.20000121.4
486E29.3Very low29.5Very low178 Ų178135 Ų13583%0.83277%0.769SS**  67.7103.7118.9-64.2-163.9142.100123.5
487T29.6Very low30Very low112 Ų112134 Ų13469%0.68777%0.766SS**  77.4145.3115.5-38.60000121.1
488M28.4Very low30.9Very low177 Ų177134.5 Ų134.587%0.87277%0.768SS**  trans95.5147.1167-58-56176.100119.5
489K25.7Very low31.2Very low196 Ų196130.9 Ų130.985%0.85276%0.758SS**  trans-102.1-176.8175.6-60.8176.1176.3176.10109.1
490P50.3Low31.2Very low109 Ų109129.9 Ų129.971%0.70876%0.758SS**  cis-130.3-177.2-33.423.3-1.1000112.8
491S29.1Very low31.4Very low99 Ų99132.4 Ų132.469%0.69276%0.762SS**  132.8134.9124.5-53.90000118.9
492S28.3Very low31.8Very low107 Ų107129 Ų12975%0.74875%0.752SS**  trans74.7153.6136.666.30000124
493S30.4Very low31.7Very low115 Ų115132.3 Ų132.380%0.80476%0.755SS**  trans72.9153.7163.971.90000119.2
494A30.3Very low31.9Very low76 Ų76133.2 Ų133.263%0.62876%0.755SS**  cis-171.3144.7-30.300000110.9
495E30.3Very low32.1Very low179 Ų179134.4 Ų134.484%0.83676%0.758SS**  trans57.3174.4149.4-61.8174.3126.600118.2
496L27.8Very low32Very low155 Ų155135 Ų13581%0.81276%0.761SS**  cis-143.6169.419.7-84.3166.5000113.2
497L35.3Very low33.4Very low151 Ų151131.7 Ų131.779%0.79176%0.755SS**  trans-113.8167.1160.6-67.5172.7000110.1
498P46.6Very low33.5Very low122 Ų122132.4 Ų132.479%0.79276%0.759SS**  -138.9164.9103.325.8-6000113
499V34.1Very low33.8Very low102 Ų102132.1 Ų132.162%0.61876%0.756SS**  cis94.7114.219.5179.10000115.8
500D27.5Very low33.9Very low157 Ų157130.4 Ų130.484%0.8475%0.751SS**  trans-167.7129.3136.7-87.5-30.9000105.6
501D32.4Very low32.9Very low127 Ų127133 Ų13368%0.67975%0.753SS**  cis77.2143.444.5-85.919.9000115.2
502L38.3Very low33.6Very low125 Ų125132.2 Ų132.265%0.65475%0.746SS**  cis-169.2167.5-29.5-126.4179.2000107.6
503F27.1Very low33.6Very low204 Ų204133.1 Ų133.190%0.89575%0.747SS**  176.7153129.8-100.7-65.1000113.5
504C31.3Very low34.2Very low105 Ų105132.7 Ų132.771%0.70974%0.742SS**  trans-164.2152.5-168.4176.10000111.3
505T30.3Very low34Very low128 Ų128137.1 Ų137.179%0.78575%0.749SS**  trans-165.9150.5164.133.20000110.4
506C29Very low33.9Very low110 Ų110135 Ų13574%0.74374%0.743SS**  cis172.5-177.7-21.8-1130000108.1
507P59.2Low33.7Very low109 Ų109138.1 Ų138.171%0.70874%0.744SS**  cis-135.5-159.2-31.333.6-11.6000113.5
508V32.3Very low33.3Very low128 Ų128138 Ų13878%0.77674%0.744SS**  trans85.9137169.7-177.20000114.8
509Q33.7Very low32.1Very low171 Ų171140 Ų14080%0.79974%0.74SS**  cis-171-168.8-28-118174.5-6.500107.2
510Q29.3Very low31.6Very low160 Ų160141.2 Ų141.275%0.74874%0.743SS**  cis-143.9-1078.3-155.8-165-3300114
511E28.1Very low32.6Very low162 Ų162137.4 Ų137.476%0.75773%0.727SS**  trans-164.9176-159.1-99.6-146.8133.700111.9
512P44.6Very low32.3Very low84 Ų84140.5 Ų140.555%0.54574%0.737SS.*  cis-144.5-178.5-28.938.7-19.9000116.8
513T27.4Very low31.7Very low126 Ų126140.4 Ų140.477%0.77374%0.741SS**  trans73.3157.5147.760.90000122.4
514P43.7Very low31.7Very low106 Ų106138.2 Ų138.269%0.68873%0.734SS**  cis-147.3168.5-43.843.4-26.8000118.1
515Q26.2Very low31.4Very low168 Ų168141.4 Ų141.479%0.78574%0.736SS**  trans82.3137.9144.8-66.3-107.115.400124.8
516L27.4Very low31Very low134 Ų134143 Ų14370%0.70274%0.736SS**  trans80.4100.3148.4-73160.7000124
517R24.8Very low30.9Very low221 Ų221144.3 Ų144.383%0.83473%0.734SS**  37.9139.6128.1-66-175.6169.8-169.7-2120
518L26.8Very low29.3Very low150 Ų150145.8 Ų145.879%0.78574%0.741SS**  cis-162.7-165.73.4-108.3167.2000106.8
519K21.2Very low29Very low164 Ų164148.1 Ų148.171%0.71374%0.741SS**  cis-154.3150.815.9-177.8-122159-149.60109.5P521K519-P521 PolarHBondContact NZ-O 2.75Å
520D22.1Very low28.6Very low127 Ų127148.1 Ų148.168%0.67974%0.741SS**  trans-84.1-150.4175.2-166.924.8000113.2
521P49.7Very low28.5Very low77 Ų77145.5 Ų145.550%0.574%0.74SS.*  -104.5179.5-121.636.4-20.7000114.5K519K519-P521 PolarHBondContact NZ-O 2.75Å
522Q26.1Very low28.3Very low191 Ų191143.5 Ų143.589%0.89374%0.744SS**  -172.4178.3122-105.6-175.217.600113.8
523V25.9Very low27.7Very low123 Ų123144.4 Ų144.475%0.74575%0.753SS**  trans-132.9161.2-160.2163.50000111.5
524Q25.9Very low28.4Very low159 Ų159143.2 Ų143.274%0.74375%0.747SS**  trans96.3144154.6-111.2173.167.400121.3
525K26.3Very low27.9Very low172 Ų172144.1 Ų144.175%0.74875%0.751SS**  trans87.873.5155.2-68.6175.6-178.4175.80122.1
526M22.3Very low27.9Very low161 Ų161143.7 Ų143.779%0.79375%0.754SS**  63110.999.3-164.9174.993.100121.5
527I26.3Very low28Very low137 Ų137143.2 Ų143.270%0.70375%0.752SS**  trans72.6119.1148.4-61.9168000119.7
528V24.3Very low28.5Very low140 Ų140137.2 Ų137.285%0.84873%0.733SS**  -165.4170.1120.7143.80000108.9
529F26.6Very low28.8Very low178 Ų178138.9 Ų138.978%0.78173%0.729SS**  trans-89.7161.4-160.5-90.3-96.5000118.1
530Q26.4Very low29.3Very low170 Ų170139 Ų13979%0.79474%0.737SS**  trans88.6122.7137.7-89.7168.211.100123.8
531S25.6Very low30.1Very low105 Ų105142.5 Ų142.573%0.73474%0.741SS**  115.1148.912879.80000119.6
532S25.6Very low29.2Very low120 Ų120143.5 Ų143.584%0.83976%0.755SS**  trans83.2144.1156.5-46.80000120.6
533S30Very low29.4Very low104 Ų104144.7 Ų144.773%0.72776%0.758SS**  trans-116.7-175.8160.159.60000106.8
534P42.8Very low29.5Very low101 Ų101142.4 Ų142.466%0.65676%0.759SS**  cis-147.5-164.414.341.7-18000117
535T33.2Very low29.7Very low125 Ų125142.9 Ų142.977%0.76777%0.765SS**  trans63.2132.4151.345.60000124.5
536D26.6Very low29.7Very low158 Ų158143.3 Ų143.385%0.84577%0.77SS**  trans-178.4156.5139.5-110.910.6000109.3
537D30.3Very low29.9Very low124 Ų124142.7 Ų142.766%0.66377%0.769SS**  cis-156.6-176.7-31.3-167.323.5000111.4
538E34.8Very low29.8Very low95 Ų95140.9 Ų140.944%0.44478%0.775SS.*  trans-37.5171.9173-82.1-164.3141.700117.5R541E538-R541 IonicContact OE1-CZ 2.79Å; E538-R541 IonicContact OE1-NE 2.97Å; E538-R541 IonicContact OE1-NH2 3.99Å; E538-R541 PolarHBondContact OE1-NH2 2.81Å
539R32Very low30.1Very low185 Ų185141.4 Ų141.470%0.69877%0.773SS**  cis-171.3145.940.4-163.4161.7-87.71632.7115.3
540L32.3Very low30.1Very low167 Ų167140.6 Ų140.687%0.87478%0.776SS**  -175.5154121.6-99170.6000112.7
541R38.3Very low30.2Very low200 Ų200141.3 Ų141.376%0.75578%0.777SS**  trans-149.1152.1-171.7-59.8-176.1-168.1169.75.9113.6E538E538-R541 IonicContact OE1-CZ 2.79Å; E538-R541 IonicContact OE1-NE 2.97Å; E538-R541 IonicContact OE1-NH2 3.99Å; E538-R541 PolarHBondContact OE1-NH2 2.81Å
542A31.6Very low30.4Very low98 Ų98145.2 Ų145.281%0.8178%0.784SS**  trans-173.8153.614600000110.2
543K31.3Very low30.9Very low217 Ų217147.1 Ų147.194%0.94379%0.785SS**  cis-167.8146.2-34.2-138.9179.5-174.6-1800107.1
544G27.9Very low30.6Very low74 Ų74145.4 Ų145.476%0.76378%0.777SS**  trans165.7128.3173.600000112.9
545L29.8Very low30.6Very low169 Ų169147.7 Ų147.789%0.88579%0.789SS**  trans-146.4140.3-171.1-90167.4000111.7
546Q25.8Very low30.3Very low181 Ų181152.4 Ų152.485%0.84679%0.793SS**  trans153.3149.1147.4-89.5-173.669.200109.7
547L26.7Very low30.3Very low149 Ų149151.5 Ų151.578%0.7879%0.793SS**  cis-160.6154.8-31-158.374.5000108.9
548A24.7Very low30.2Very low99 Ų99148.9 Ų148.982%0.81879%0.794SS**  trans67.6170.8162.500000118.2
549N30.1Very low29.9Very low151 Ų151149.5 Ų149.581%0.80782%0.816SS**  trans-138.4160.4-167.5179.628.3000108.2
550N26.7Very low29.8Very low160 Ų160148 Ų14886%0.85682%0.822SS**  trans-140142.3172.3-136.7-15.8000112.4
551K28.7Very low30.4Very low185 Ų185144.9 Ų144.980%0.80481%0.811SS**  trans-140117.4-170.1171.6-160.1172.5-167.50108.7
552E29.2Very low29.8Very low187 Ų187140.8 Ų140.887%0.87481%0.809SS**  trans-136.2126.2165.8-169.6167.2-149.800109.9
553N35.7Very low29.8Very low161 Ų161144.1 Ų144.186%0.86181%0.812SS**  trans-160.169.2176.7-163.829.9000110.1
554A25.2Very low29.6Very low68 Ų68138.1 Ų138.156%0.56280%0.803SS**  trans-162.5128.7169.900000111.2R556A554-R556 PolarHBondContact O-N 3.33Å
555T42.4Very low29.6Very low148 Ų148144.4 Ų144.491%0.90881%0.809SS**SBendtrans-78.560.1165.2-48.30000109.6
556R25.9Very low29.5Very low225 Ų225141 Ų14185%0.84981%0.806SS**SBendtrans66151.6-165.5-43.1174.8173.9177.1-3.7111.2A554A554-R556 PolarHBondContact O-N 3.33Å
557V26.6Very low29.7Very low139 Ų139137.8 Ų137.884%0.84280%0.803SS**  cis-146.6148.917.3174.50000109.2
558G27.7Very low30.7Very low68 Ų68136 Ų13670%0.70180%0.801SS**  trans94.9109.1141.800000121.4
559A29.1Very low30.8Very low109 Ų109139.3 Ų139.390%0.90180%0.799SS**  trans56.7128140.100000124.2
560D29.5Very low30.9Very low154 Ų154138.1 Ų138.182%0.82479%0.791SS**  trans-49.2-179.8159.3-103.7-23.4000117.9
561P44.8Very low30.8Very low100 Ų100138.5 Ų138.565%0.64979%0.788SS**  cis-130.6177.2-28.928.3-5.5000112.1
562T27.2Very low30.7Very low115 Ų115134.3 Ų134.371%0.70678%0.782SS**  170.7153.27443.90000113.3
563L30.5Very low30.5Very low168 Ų168135.1 Ų135.188%0.8878%0.783SS**  trans53.5152.9155.2-82.382.1000121.3
564A26.9Very low29.7Very low90 Ų90133.5 Ų133.574%0.74478%0.784SS**  cis-164.1175.1-15.500000113.4
565K28.6Very low30Very low206 Ų206135.3 Ų135.390%0.89679%0.793SS**  trans-19.3164.7169.1-72.2179179.5177.90121.2
566A26.5Very low30.3Very low98 Ų98133.4 Ų133.481%0.8178%0.783SS**  cis-171.7-172.4-13.600000111.6
567S31.1Very low30.2Very low114 Ų114131.3 Ų131.380%0.79778%0.782SS**  trans-105.7-168.7-17759.80000113.5
568P46.7Very low30.4Very low112 Ų112132.1 Ų132.173%0.72778%0.781SS**  cis-145.9-174.83.246.2-25.5000119.2
569Q28.2Very low30.6Very low168 Ų168134 Ų13479%0.78578%0.781SS**  trans43.5145.5146-99.7-172.5-19.800128.2
570I30.8Very low30.3Very low126 Ų126134.6 Ų134.665%0.64677%0.773SS**  trans102.1118.6135.4-84.1168.7000124.4
571Q26.4Very low30.1Very low167 Ų167136.1 Ų136.178%0.7877%0.772SS**  trans67153.6142.3-69-170.746.500128.7
572S25Very low29.2Very low98 Ų98136.7 Ų136.769%0.68577%0.774SS**  trans77.597.8142.748.90000125
573K24.6Very low29Very low204 Ų204139.4 Ų139.489%0.88778%0.778SS**  trans13.2124.6131.8-56.8175.3-179.9178.80120
574S20.9Very low28.8Very low126 Ų126142.7 Ų142.788%0.88178%0.779SS**  178.9173.199.756.40000112.6
575S29.8Very low28.7Very low107 Ų107145.1 Ų145.175%0.74877%0.773SS**  trans-113.5-166.5-177.864.20000110.2
576P50.2Low28.5Very low107 Ų107141.9 Ų141.970%0.69576%0.761SS**  cis-134.9179.3-6.942.1-26.1000114.9
577H22.8Very low28.3Very low182 Ų182143.2 Ų143.284%0.84376%0.759SS**  trans-158.6138.1140.7-118.2-76.8000112
578L31.5Very low28.1Very low155 Ų155142.5 Ų142.581%0.81275%0.754SS**  trans-100.6158.9149.4-72.2170.8000107.1
579P31.4Very low27.5Very low109 Ų109146.1 Ų146.171%0.70876%0.761SS**  -151.61439938.9-21.2000116.8
580V23.9Very low27.5Very low121 Ų121144.8 Ų144.873%0.73376%0.76SS**  73.3128.4125.3174.90000121.8
581K24.1Very low27.7Very low186 Ų186147 Ų14781%0.80976%0.764SS**  trans86.6115.3148-88.4170.8-178.2-177.20123.6
582V25.2Very low27.9Very low112 Ų112144.2 Ų144.268%0.67976%0.759SS**  69.395.6116.4171.60000118.7
583E24.2Very low28Very low172 Ų172148.2 Ų148.280%0.80477%0.767SS**  53.1109.1107.8-170.9-167.2178.200118.8
584R25.7Very low28Very low237 Ų237142 Ų14289%0.89476%0.761SS**  trans-168.1167.9141.9-96.8-157.9178.6145.62.6109.6
585K26.1Very low28.3Very low140 Ų140140.4 Ų140.461%0.60976%0.755SS**  cis170.9132-33.3168.9171.3172160.20108.6
586E22.6Very low28.1Very low139 Ų139144.2 Ų144.265%0.6576%0.761SS**  trans63.9125.2156.3-76.9175.3-16800123.9
587T23.4Very low26.9Very low126 Ų126144.3 Ų144.377%0.77376%0.759SS**  65.5167.9119.9750000124.7
588S26.3Very low27.1Very low98 Ų98144.8 Ų144.869%0.68576%0.759SS**  trans94.372.8153.3-164.40000118.3
589E33.6Very low26.9Very low189 Ų189141.5 Ų141.588%0.88375%0.749SS**  trans-57.5140.8149.8-58.6172.5105.700111.1
590N29.5Very low26.7Very low140 Ų140144.3 Ų144.375%0.74975%0.752SS**  trans-160.8109.3150.8-109.9-52.5000113.9
591K33.4Very low26.8Very low172 Ų172142.7 Ų142.775%0.74875%0.746SS**  63.4118.9126.9-114.9-170.1175.1-169.30122.5
592T31.2Very low26.8Very low109 Ų109141 Ų14167%0.66974%0.741SS**  trans67.4152.4136.241.10000119.3
593E27.6Very low27.1Very low182 Ų182140.3 Ų140.385%0.8574%0.742SS**  cis-152.3157.112.1-147.4157.8-13100114.9
594G25.2Very low27.3Very low73 Ų73139.6 Ų139.675%0.75374%0.738SS**  trans96.1144.1153.400000118.9
595A27.3Very low27.3Very low92 Ų92133.7 Ų133.776%0.7672%0.724SS**  cis-163.8132.6-14.100000113.5
596Q25.2Very low27.3Very low188 Ų188133.5 Ų133.588%0.87973%0.726SS**  trans63158.3155.3-55.4-175.13.400118.3
597V25.6Very low27.5Very low109 Ų109135.3 Ų135.366%0.66173%0.731SS**  cis-140.3122.520.6178.50000112.6
598K27.1Very low27.4Very low192 Ų192133.3 Ų133.384%0.83572%0.723SS**  trans59.4148.8152.9-66.8175.8-178.3176.90121.3
599S25.7Very low27.2Very low85 Ų85134.2 Ų134.259%0.59472%0.724SS**  cis-173.5148.5-16.953.30000113.8
600H27.7Very low26.8Very low169 Ų169130.9 Ų130.978%0.78272%0.716SS**  trans64.7152.5159.1-64.6-64.7000120.2
601S26.2Very low26.5Very low87 Ų87133.8 Ų133.861%0.60872%0.722SS**  -173.8-169.8-60.351.20000107.7
602E24.8Very low26.1Very low149 Ų149130.9 Ų130.970%0.69672%0.724SS**  cis-165.31726-147.9153.7116.800112.7
603S30.1Very low25.7Very low99 Ų99133.1 Ų133.169%0.69273%0.731SS**  trans72.3144.7149.576.50000120.2
604Q28.3Very low26Very low157 Ų157129.2 Ų129.273%0.73472%0.721SS**  cis-167.4149.2-10.3-118.3-172.333.800113.3
605N26.7Very low25.9Very low113 Ų113132.9 Ų132.960%0.60472%0.722SS**  trans62160.3137.5-71.3-19000122.3
606Q26.6Very low25.7Very low136 Ų136135.3 Ų135.364%0.63672%0.721SS**  cis-159173.8-4.2-124.2173.975.300113.6
607K25.3Very low25.7Very low176 Ų176132.6 Ų132.677%0.76571%0.713SS**  trans4.6163.4143.6-72.2178.3-176.3174.70121.7
608S22.5Very low25.6Very low85 Ų85134.3 Ų134.359%0.59472%0.719SS**  cis-176.1167.7-18.858.80000112
609T22.3Very low25.5Very low116 Ų116131.6 Ų131.671%0.71271%0.713SS**  trans55.8111145.652.80000123.9
610V24.6Very low25.5Very low119 Ų119133.1 Ų133.172%0.72172%0.718SS**  67.3137.1116.11740000122
611K22.8Very low25.5Very low201 Ų201130.9 Ų130.987%0.87472%0.717SS**  trans74.5149.2166.4-80.3163.3-169.6179.60116.4
612S24.7Very low25.9Very low112 Ų112132.1 Ų132.178%0.78372%0.722SS**  cis-145.4171.23.258.90000114
613L24.3Very low26Very low156 Ų156129.8 Ų129.882%0.81772%0.723SS**  trans-64.9-178.5152.2-63.3167.3000109.9
614P33.3Very low26.3Very low100 Ų100130.4 Ų130.465%0.64972%0.724SS**  cis-144.9179.99.244.8-25.4000118
615I22.3Very low26.2Very low149 Ų149129.6 Ų129.676%0.76473%0.725SS**  trans66.8138.5135.3-80.5163.4000122.5
616L24.2Very low26.2Very low143 Ų143128.6 Ų128.675%0.74972%0.723SS**  trans96123.5152-127.555.8000121.9
617D25Very low26.1Very low131 Ų131128.7 Ų128.770%0.70172%0.724SS**  trans37.1111.3142.2-54.8-4.5000122.3
618D23.2Very low26.3Very low146 Ų146127.5 Ų127.578%0.78172%0.718SS**  60.6166.9104.6-150.514.8000121.5
619L25.5Very low26.4Very low135 Ų135129.1 Ų129.171%0.70772%0.724SS**  trans6995.3164.8-67.8163.4000118.8
620T25.5Very low26.4Very low117 Ų117128.3 Ų128.372%0.71872%0.724SS**  86.3151.1115.6-55.30000119.7
621T27.7Very low26.6Very low122 Ų122128.7 Ų128.775%0.74873%0.726SS**  trans-67.5177.5172.753.80000111.2
622P35.1Very low27Very low112 Ų112127 Ų12773%0.72773%0.726SS**  cis-140.1-173.815.634.1-9.6000116.7
623S26.1Very low27.5Very low100 Ų100127.4 Ų127.470%0.69973%0.726SS**  trans-50.8166.9148.567.50000110.7
624P36.8Very low27.6Very low112 Ų112124.1 Ų124.173%0.72772%0.721SS**  -155-157.752.650.8-28.8000111.8
625N26.1Very low27.4Very low140 Ų140129.7 Ų129.775%0.74973%0.729SS**  cis-160.5-174.9-13.4-142.4-25.2000109.1
626V26.8Very low27.6Very low93 Ų93128.7 Ų128.756%0.56473%0.725SS**  trans63.4101.4138.4163.30000118.8
627E24.4Very low27.8Very low138 Ų138127.3 Ų127.365%0.64573%0.728SS**  65170.4127-54.1-173.9107.700118.4
628K28.8Very low28Very low150 Ų150130.6 Ų130.665%0.65274%0.736SS**  cis-151.8144.912.4-141.8136.1-171.3158.70111.2
629V24.1Very low28.2Very low120 Ų120132.8 Ų132.873%0.72774%0.738SS**  trans54.9110.3132.2168.10000119.6
630S23.5Very low28.3Very low99 Ų99135.4 Ų135.469%0.69275%0.747SS**  114.3138.7122.4-89.60000123.7
631T27.9Very low28.2Very low126 Ų126133.5 Ų133.577%0.77375%0.751SS**  trans53.9114.3142.957.50000121.3
632L31.6Very low28.1Very low167 Ų167132.7 Ų132.787%0.87475%0.75SS**  trans-49.6156.3147.4-53.8169000111.3
633P35.1Very low27.7Very low120 Ų120132.5 Ų132.578%0.77974%0.743SS**  -144.9151101.437.9-24.2000117.2
634A26.1Very low27.7Very low87 Ų87135 Ų13572%0.71974%0.741SS**  trans53.6117.1138.700000123.6
635R29.3Very low27.3Very low217 Ų217139 Ų13982%0.81975%0.748SS**  79.6132.4128.2-76.7-173.8121.1130.56.9122.4
636D25.9Very low27.3Very low127 Ų127137 Ų13768%0.67975%0.745SS**  trans56.5123.2135-51.3-27000118.4
637S28.5Very low27.5Very low115 Ų115141 Ų14180%0.80476%0.757SS**  cis-164.817315.860.70000114.5
638K29.8Very low27.6Very low199 Ų199145.1 Ų145.187%0.86577%0.767SS**  trans-1.3126.4169-68.6176.5175.9174.50119.3
639K27.1Very low27.5Very low192 Ų192144.6 Ų144.684%0.83577%0.771SS**  -170.6127.6108.6-105.3168.6-177.51780115
640Q27.7Very low27.9Very low190 Ų190143.1 Ų143.189%0.88877%0.771SS**  26.7119.7124-160.6171.116.700119.2
641G24.9Very low28.9Very low78 Ų78143.4 Ų143.480%0.80477%0.771SS**  trans-162.2136.616600000113
642S23.9Very low28.9Very low105 Ų105146.8 Ų146.873%0.73478%0.775SS**  trans-83.8175.5158.559.70000108.5
643D26.5Very low29.5Very low108 Ų108147.5 Ų147.558%0.57878%0.779SS**  cis-167.617437.3-131.9-49.7000114.3
644K27.5Very low29.2Very low152 Ų152146.3 Ų146.366%0.66177%0.774SS**  trans22.4124.9154.8-71.5148.3-165.5110.70120.5
645K27Very low30.1Very low197 Ų197151 Ų15186%0.85778%0.778SS**  63.2144.4100.1-60.7-178.5-179.9-176.10115.3
646S26.1Very low30.4Very low98 Ų98151.9 Ų151.969%0.68578%0.781SS**  cis-152.5-172.424.3-156.30000114.1
647Q31.4Very low30.8Very low177 Ų177153.4 Ų153.483%0.82779%0.79SS**  trans-45.8148.6178.4-55151-73.100116
648R27.5Very low31.5Very low224 Ų224155.1 Ų155.185%0.84579%0.789SS**  trans-163.7151.1134.1-114.4-172.4168.4160.1-1.8113.5
649N26.5Very low32.1Very low138 Ų138153.4 Ų153.474%0.73879%0.788SS**  trans50.5124.6144.9-62.16.1000121.8
650A33.1Very low32.7Very low90 Ų90148.8 Ų148.874%0.74478%0.78SS**  trans-78.6175.9140.100000109.8
651P44.6Very low33.2Very low105 Ų105143.5 Ų143.568%0.68277%0.769SS**  cis-127.3153.4-4.439.1-24.9000113.9
652F26.1Very low34.2Very low197 Ų197144.1 Ų144.186%0.86476%0.757SS**  trans-146.9110.3162.7-79.8-69.2000113.3
653L44.8Very low34.7Very low181 Ų181147.5 Ų147.595%0.94876%0.759SS**  trans-72.8114.5136.7-75.4170000106.2
654S30Very low35.6Very low96 Ų96145.9 Ų145.967%0.67175%0.754SS**  trans-151.2128.4171.5-168.80000112.5R656S654-R656 PolarHBondContact O-N 3.22Å
655F43.7Very low36.2Very low186 Ų186140.7 Ų140.782%0.81674%0.74SS**  trans-65.7105.6-172.6-61.6-103.1000112.8
656R35Very low37Very low235 Ų235139.9 Ų139.989%0.88773%0.732SS**  trans-150.218.7162.5-129174.4-176.9174.11.8121.1S654S654-R656 PolarHBondContact O-N 3.22Å
657N34.8Very low37.7Very low159 Ų159140 Ų14085%0.8572%0.722SS**SBendtrans-110.44.5162.8-89.5-16.8000114.4L659N657-L659 VanDerWaalsContact C-N 3.26Å; N657-L659 PolarHBondContact O-N 2.86Å
658L44.2Very low38.3Very low150 Ų150139.5 Ų139.579%0.78571%0.713SS**SBendtrans-81.31.4178.2-144.279000114.2
659L42.9Very low39.4Very low163 Ų163135.4 Ų135.485%0.85370%0.701SS**SBendtrans-129.155.9-176-69.4175.2000111.9N657N657-L659 VanDerWaalsContact C-N 3.26Å; N657-L659 PolarHBondContact O-N 2.86Å
660S37.9Very low40.3Very low96 Ų96132.1 Ų132.167%0.67168%0.682SS**  trans-140.82.7166.3-73.30000114.7T662S660-T662 PolarHBondContact O-N 3.43Å; S660-T662 VanDerWaalsContact O-N 3.07Å
661A39.9Very low41.1Very low79 Ų79130 Ų13065%0.65366%0.66SS**SBendtrans-77.479.3153.900000108.3
662T43.9Very low41.4Very low90 Ų90128.9 Ų128.955%0.55265%0.648SS**  trans-56.2153.5174.958.10000110.2S660 P664 A665 R666S660-T662 PolarHBondContact O-N 3.43Å; S660-T662 VanDerWaalsContact O-N 3.07Å; T662-P664 VanDerWaalsContact C-CD 3.46Å; T662-P664 VanDerWaalsContact C-N 3.28Å; T662-P664 VanDerWaalsContact O-N 3.13Å; T662-A665 WeakPolarHBondContact O-CA 3.48Å; T662-A665 WeakPolarHBondContact O-CB 3.27Å; T662-A665 PolarHBondContact O-N 2.94Å; T662-R666 PolarHBondContact O-N 3.23Å; T662-R666 VanDerWaalsContact O-N 3.07Å
663F35.6Very low42.5Very low177 Ų177124.1 Ų124.178%0.77663%0.628SS**Hα-helixtrans-48.8-41.9-178.9-89.1-92.9000113.8A665 R666 M667F663-A665 VanDerWaalsContact C-N 3.3Å; F663-A665 PolarHBondContact O-N 2.98Å; F663-R666 PolarHBondContact O-N 2.92Å; F663-M667 VanDerWaalsContact O-CB 3.25Å; F663-M667 WeakPolarHBondContact O-CB 3.4Å; F663-M667 VanDerWaalsContact O-CG 3.23Å; F663-M667 WeakPolarHBondContact O-CG 3.37Å; F663-M667 PolarHBondContact O-N 2.95Å
664P45Very low42.9Very low73 Ų73119 Ų11947%0.47460%0.596SS.*Hα-helixtrans-60-32.1172.6-26.436.4000114.9T662 R668T662-P664 VanDerWaalsContact C-CD 3.46Å; T662-P664 VanDerWaalsContact C-N 3.28Å; T662-P664 VanDerWaalsContact O-N 3.13Å; P664-R668 WeakPolarHBondContact O-CB 3.23Å; P664-R668 WeakPolarHBondContact O-CD 3.49Å; P664-R668 WeakPolarHBondContact O-CG 3.5Å; P664-R668 PolarHBondContact O-N 2.87Å
665A40.9Very low43.9Very low44 Ų44120.5 Ų120.536%0.36459%0.587SS.*Hα-helixtrans-76.2-41.4176.900000112.2T662 F663 R668 K669T662-A665 WeakPolarHBondContact O-CA 3.48Å; T662-A665 WeakPolarHBondContact O-CB 3.27Å; T662-A665 PolarHBondContact O-N 2.94Å; F663-A665 VanDerWaalsContact C-N 3.3Å; F663-A665 PolarHBondContact O-N 2.98Å; A665-R668 PolarHBondContact O-N 2.82Å; A665-K669 PolarHBondContact O-N 2.95Å
666R42.7Very low44.5Very low179 Ų179113.8 Ų113.868%0.67557%0.566SS**Hα-helixtrans-64.8-49.1173.7-169.6175.6-175.8167.62.8110.8T662 F663 R668 K669 E670T662-R666 PolarHBondContact O-N 3.23Å; T662-R666 VanDerWaalsContact O-N 3.07Å; F663-R666 PolarHBondContact O-N 2.92Å; R666-R668 VanDerWaalsContact C-N 3.33Å; R666-R668 PolarHBondContact O-N 3.27Å; R666-K669 PolarHBondContact O-N 3Å; R666-E670 VanDerWaalsContact O-CB 3.31Å; R666-E670 WeakPolarHBondContact O-CB 3.37Å; R666-E670 PolarHBondContact O-N 3.21Å
667M40.2Very low44.9Very low100 Ų100105.7 Ų105.749%0.49354%0.538SS..Hα-helixtrans-58.8-40.4174.7-72.4-66-64.500112.2F663 T671F663-M667 VanDerWaalsContact O-CB 3.25Å; F663-M667 WeakPolarHBondContact O-CB 3.4Å; F663-M667 VanDerWaalsContact O-CG 3.23Å; F663-M667 WeakPolarHBondContact O-CG 3.37Å; F663-M667 PolarHBondContact O-N 2.95Å; M667-T671 VanDerWaalsContact O-CB 3.31Å; M667-T671 WeakPolarHBondContact O-CB 3.14Å; M667-T671 PolarHBondContact O-N 2.94Å; M667-T671 PolarHBondContact O-OG1 3.19Å
668R45Very low45.6Very low168 Ų16898.6 Ų98.663%0.63450%0.5SS*.Hα-helixtrans-63.1-53.2174.2-80.9168.2-173.2171.52.1111.1P664 A665 R666 E670 T671 D672P664-R668 WeakPolarHBondContact O-CB 3.23Å; P664-R668 WeakPolarHBondContact O-CD 3.49Å; P664-R668 WeakPolarHBondContact O-CG 3.5Å; P664-R668 PolarHBondContact O-N 2.87Å; A665-R668 PolarHBondContact O-N 2.82Å; R666-R668 VanDerWaalsContact C-N 3.33Å; R666-R668 PolarHBondContact O-N 3.27Å; R668-E670 VanDerWaalsContact C-N 3.32Å; R668-E670 PolarHBondContact O-N 2.89Å; R668-T671 CarbonylContact O-C 3.56Å; R668-T671 PolarHBondContact O-N 3.47Å; R668-D672 WeakPolarHBondContact O-CB 3.45Å; R668-D672 PolarHBondContact O-N 3.39Å; R668-D672 VanDerWaalsContact O-OD2 3.1Å
669K50.4Low45.9Very low138 Ų13897.7 Ų97.760%0.649%0.492SS*.Hα-helixtrans-54.3-49.3177.6-167.2-164.4171-153.10111.1A665 R666 T671 D672 E673A665-K669 PolarHBondContact O-N 2.95Å; R666-K669 PolarHBondContact O-N 3Å; K669-T671 VanDerWaalsContact C-N 3.33Å; K669-T671 PolarHBondContact O-N 2.63Å; K669-D672 PolarHBondContact O-N 2.88Å; K669-E673 IonicContact NZ-OE2 3.3Å; K669-E673 WeakPolarHBondContact O-CB 3.36Å; K669-E673 PolarHBondContact O-N 3.31Å
670E44.9Very low46.3Very low69 Ų6996.7 Ų96.732%0.32248%0.481SS..Hα-helixtrans-62.6-36.1179-166.6-173.6139.900112.7R666 R668 R674R666-E670 VanDerWaalsContact O-CB 3.31Å; R666-E670 WeakPolarHBondContact O-CB 3.37Å; R666-E670 PolarHBondContact O-N 3.21Å; R668-E670 VanDerWaalsContact C-N 3.32Å; R668-E670 PolarHBondContact O-N 2.89Å; E670-R674 WeakPolarHBondContact O-CB 3.36Å; E670-R674 WeakPolarHBondContact O-CG 3.2Å; E670-R674 PolarHBondContact O-N 2.94Å; E670-R674 IonicContact OE1-CZ 2.89Å; E670-R674 VanDerWaalsContact OE1-CZ 3.24Å; E670-R674 IonicContact OE1-NH1 3.66Å; E670-R674 PolarHBondContact OE1-NH1 3.48Å; E670-R674 IonicContact OE1-NH2 2.95Å; E670-R674 PolarHBondContact OE1-NH2 3.48Å
671T50.4Low46.7Very low46 Ų4692.7 Ų92.728%0.28245%0.453SS..Hα-helixtrans-76.5-32.6175.6-46.20000112.1M667 R668 K669 R675M667-T671 VanDerWaalsContact O-CB 3.31Å; M667-T671 WeakPolarHBondContact O-CB 3.14Å; M667-T671 PolarHBondContact O-N 2.94Å; M667-T671 PolarHBondContact O-OG1 3.19Å; R668-T671 CarbonylContact O-C 3.56Å; R668-T671 PolarHBondContact O-N 3.47Å; K669-T671 VanDerWaalsContact C-N 3.33Å; K669-T671 PolarHBondContact O-N 2.63Å; T671-R675 VanDerWaalsContact CG2-CZ 3.43Å; T671-R675 WeakPolarHBondContact O-CB 3.35Å; T671-R675 WeakPolarHBondContact O-CD 3.12Å; T671-R675 WeakPolarHBondContact O-CG 3.4Å; T671-R675 PolarHBondContact O-N 3.37Å
672D51.9Low47.2Very low81 Ų8193.4 Ų93.443%0.43344%0.438SS..Hα-helixtrans-75.3-32.8177.2-66.8-33.4000111.5R668 K669 R675 A676R668-D672 WeakPolarHBondContact O-CB 3.45Å; R668-D672 PolarHBondContact O-N 3.39Å; R668-D672 VanDerWaalsContact O-OD2 3.1Å; K669-D672 PolarHBondContact O-N 2.88Å; D672-R675 WeakPolarHBondContact O-CB 3.24Å; D672-R675 PolarHBondContact O-N 2.88Å; D672-R675 IonicContact OD1-CZ 3.5Å; D672-R675 IonicContact OD1-NH1 3.75Å; D672-R675 PolarHBondContact OD1-NH1 3.39Å; D672-A676 WeakPolarHBondContact O-CB 3.23Å; D672-A676 PolarHBondContact O-N 3.32Å
673E49Very low47.7Very low97 Ų9793.7 Ų93.745%0.45343%0.433SS..Hα-helixtrans-69.3-46.8170.6-169.9152.6-149.900110.7K669 R675 A676 Q677K669-E673 IonicContact NZ-OE2 3.3Å; K669-E673 WeakPolarHBondContact O-CB 3.36Å; K669-E673 PolarHBondContact O-N 3.31Å; E673-R675 VanDerWaalsContact C-N 3.32Å; E673-R675 PolarHBondContact O-N 3.25Å; E673-A676 WeakPolarHBondContact O-CB 3.38Å; E673-A676 PolarHBondContact O-N 3.49Å; E673-A676 VanDerWaalsContact O-N 3.15Å; E673-Q677 WeakPolarHBondContact O-CG 3.25Å; E673-Q677 PolarHBondContact O-N 3.12Å
674R51.8Low48.3Very low74 Ų7493.1 Ų93.128%0.27943%0.427SS..Hα-helixtrans-60.5-36.2168-77.2-168.1-174100.56.9112.9E670 Q677 L678 S1158E670-R674 WeakPolarHBondContact O-CB 3.36Å; E670-R674 WeakPolarHBondContact O-CG 3.2Å; E670-R674 PolarHBondContact O-N 2.94Å; E670-R674 IonicContact OE1-CZ 2.89Å; E670-R674 VanDerWaalsContact OE1-CZ 3.24Å; E670-R674 IonicContact OE1-NH1 3.66Å; E670-R674 PolarHBondContact OE1-NH1 3.48Å; E670-R674 IonicContact OE1-NH2 2.95Å; E670-R674 PolarHBondContact OE1-NH2 3.48Å; R674-Q677 PolarHBondContact O-N 3.17Å; R674-L678 WeakPolarHBondContact O-CB 3.4Å; R674-L678 WeakPolarHBondContact O-CD1 3.35Å; R674-L678 WeakPolarHBondContact O-CG 3.39Å; R674-L678 PolarHBondContact O-N 2.83Å; R674-S1158 WeakPolarHBondContact CD-O 3.19Å; R674-S1158 PolarHBondContact NE-O 3.37Å
675R52.4Low48.5Very low127 Ų12791 Ų9148%0.47941%0.411SS..Hα-helixtrans-65.9-39.1173.3-78.5163-174.6137.35.6111.6T671 D672 E673 L678 Q679T671-R675 VanDerWaalsContact CG2-CZ 3.43Å; T671-R675 WeakPolarHBondContact O-CB 3.35Å; T671-R675 WeakPolarHBondContact O-CD 3.12Å; T671-R675 WeakPolarHBondContact O-CG 3.4Å; T671-R675 PolarHBondContact O-N 3.37Å; D672-R675 WeakPolarHBondContact O-CB 3.24Å; D672-R675 PolarHBondContact O-N 2.88Å; D672-R675 IonicContact OD1-CZ 3.5Å; D672-R675 IonicContact OD1-NH1 3.75Å; D672-R675 PolarHBondContact OD1-NH1 3.39Å; E673-R675 VanDerWaalsContact C-N 3.32Å; E673-R675 PolarHBondContact O-N 3.25Å; R675-L678 PolarHBondContact O-N 3.01Å; R675-Q679 WeakPolarHBondContact O-CB 3.44Å; R675-Q679 VanDerWaalsContact O-CG 3.26Å; R675-Q679 WeakPolarHBondContact O-CG 3.41Å; R675-Q679 PolarHBondContact O-N 2.89Å
676A55.5Low49.1Very low45 Ų4593.9 Ų93.937%0.37242%0.42SS..Hα-helixtrans-67.4-37.7174.900000111.7D672 E673 Q679 K680D672-A676 WeakPolarHBondContact O-CB 3.23Å; D672-A676 PolarHBondContact O-N 3.32Å; E673-A676 WeakPolarHBondContact O-CB 3.38Å; E673-A676 PolarHBondContact O-N 3.49Å; E673-A676 VanDerWaalsContact O-N 3.15Å; A676-Q679 PolarHBondContact O-N 2.91Å; A676-K680 WeakPolarHBondContact O-CG 3.39Å; A676-K680 PolarHBondContact O-N 2.93Å
677Q43.8Very low49.7Very low64 Ų6489.6 Ų89.630%0.29941%0.407SS..Hα-helixtrans-65.7-46.4171.4-71.1169-25.700111.7E673 R674 Q679 K680 V681E673-Q677 WeakPolarHBondContact O-CG 3.25Å; E673-Q677 PolarHBondContact O-N 3.12Å; R674-Q677 PolarHBondContact O-N 3.17Å; Q677-Q679 PolarHBondContact O-N 3.27Å; Q677-K680 CarbonylContact O-C 3.56Å; Q677-K680 WeakPolarHBondContact O-CA 3.34Å; Q677-K680 WeakPolarHBondContact O-CB 3.48Å; Q677-K680 PolarHBondContact O-N 3.3Å; Q677-V681 WeakPolarHBondContact O-CG2 3.31Å; Q677-V681 PolarHBondContact O-N 3.13Å
678L49.6Very low50Low11 Ų1186.7 Ų86.76%0.05839%0.392CS..Hα-helixtrans-62.5-30.9173-77.1161000112.4R674 R675 R682 E1097R674-L678 WeakPolarHBondContact O-CB 3.4Å; R674-L678 WeakPolarHBondContact O-CD1 3.35Å; R674-L678 WeakPolarHBondContact O-CG 3.39Å; R674-L678 PolarHBondContact O-N 2.83Å; R675-L678 PolarHBondContact O-N 3.01Å; L678-R682 WeakPolarHBondContact O-CB 3.47Å; L678-R682 VanDerWaalsContact O-CG 3.24Å; L678-R682 WeakPolarHBondContact O-CG 3.38Å; L678-R682 PolarHBondContact O-N 2.96Å; L678-E1097 HydrophobicContact CD1-CB 4.01Å; L678-E1097 HydrophobicContact CD1-CG 3.74Å; L678-E1097 HydrophobicContact CD2-CG 4.44Å
679Q49.2Very low50.5Low130 Ų13079.3 Ų79.361%0.60737%0.365SS*.Hα-helixtrans-70-39.1169.8-79.4173.7-10.400111.9R675 A676 Q677 R682 Q683R675-Q679 WeakPolarHBondContact O-CB 3.44Å; R675-Q679 VanDerWaalsContact O-CG 3.26Å; R675-Q679 WeakPolarHBondContact O-CG 3.41Å; R675-Q679 PolarHBondContact O-N 2.89Å; A676-Q679 PolarHBondContact O-N 2.91Å; Q677-Q679 PolarHBondContact O-N 3.27Å; Q679-R682 PolarHBondContact O-N 2.69Å; Q679-Q683 VanDerWaalsContact O-CB 3.24Å; Q679-Q683 WeakPolarHBondContact O-CB 3.4Å; Q679-Q683 PolarHBondContact O-N 3.07Å
680K52Low50.6Low142 Ų14278.6 Ų78.662%0.61736%0.364SS*.Hα-helixtrans-61-43.2169.3-72.4178.1178.5-179.40111.6A676 Q677 R682 Q683 Y684A676-K680 WeakPolarHBondContact O-CG 3.39Å; A676-K680 PolarHBondContact O-N 2.93Å; Q677-K680 CarbonylContact O-C 3.56Å; Q677-K680 WeakPolarHBondContact O-CA 3.34Å; Q677-K680 WeakPolarHBondContact O-CB 3.48Å; Q677-K680 PolarHBondContact O-N 3.3Å; K680-R682 PolarHBondContact O-N 2.69Å; K680-Q683 WeakPolarHBondContact O-CB 3.36Å; K680-Q683 PolarHBondContact O-N 2.95Å; K680-Y684 VanDerWaalsContact O-CD2 3.27Å; K680-Y684 WeakPolarHBondContact O-CD2 3.47Å; K680-Y684 PolarHBondContact O-N 3.17Å
681V45.9Very low51Low13 Ų1382.8 Ų82.88%0.07938%0.383CS..Hα-helixtrans-62.2-43.5175.8175.10000111Q677 Q683 E685 A1094 L1151 A1154Q677-V681 WeakPolarHBondContact O-CG2 3.31Å; Q677-V681 PolarHBondContact O-N 3.13Å; V681-Q683 VanDerWaalsContact C-N 3.35Å; V681-E685 WeakPolarHBondContact O-CB 3.48Å; V681-E685 PolarHBondContact O-N 3.46Å; V681-A1094 HydrophobicContact CG1-CB 3.67Å; V681-L1151 HydrophobicContact CG1-CD1 3.9Å; V681-A1154 HydrophobicContact CG2-CB 3.86Å
682R51.2Low50.9Low93 Ų9383.1 Ų83.135%0.35138%0.383SS..Hα-helixtrans-69.6-29.6175.5-70.4167.4-169.5162.710.1112.9L678 Q679 K680 L686 A1094 E1097L678-R682 WeakPolarHBondContact O-CB 3.47Å; L678-R682 VanDerWaalsContact O-CG 3.24Å; L678-R682 WeakPolarHBondContact O-CG 3.38Å; L678-R682 PolarHBondContact O-N 2.96Å; Q679-R682 PolarHBondContact O-N 2.69Å; K680-R682 PolarHBondContact O-N 2.69Å; R682-L686 WeakPolarHBondContact O-CB 3.15Å; R682-L686 VanDerWaalsContact O-CG 3.24Å; R682-L686 WeakPolarHBondContact O-CG 3.47Å; R682-L686 PolarHBondContact O-N 3.01Å; R682-A1094 HydrophobicContact CG-CB 4.45Å; R682-A1094 PolarHBondContact NE-O 3.1Å; R682-A1094 PolarHBondContact NH2-O 2.98Å; R682-E1097 IonicContact CZ-OE1 3.59Å; R682-E1097 IonicContact NH1-OE1 3.09Å; R682-E1097 PolarHBondContact NH1-OE1 3.15Å; R682-E1097 IonicContact NH2-OE1 2.67Å; R682-E1097 PolarHBondContact NH2-OE1 3.4Å
683Q53.6Low50.7Low97 Ų9784.4 Ų84.445%0.45339%0.389SS..Hα-helixtrans-69.6-49.7173.4-174.965.923.900110.6Q679 K680 V681 E685 L686 E687Q679-Q683 VanDerWaalsContact O-CB 3.24Å; Q679-Q683 WeakPolarHBondContact O-CB 3.4Å; Q679-Q683 PolarHBondContact O-N 3.07Å; K680-Q683 WeakPolarHBondContact O-CB 3.36Å; K680-Q683 PolarHBondContact O-N 2.95Å; V681-Q683 VanDerWaalsContact C-N 3.35Å; Q683-E685 VanDerWaalsContact C-N 3.3Å; Q683-E685 PolarHBondContact O-N 2.66Å; Q683-L686 PolarHBondContact O-N 3.49Å; Q683-L686 VanDerWaalsContact O-N 3.12Å; Q683-E687 WeakPolarHBondContact CG-OE1 3.39Å; Q683-E687 PolarHBondContact NE2-OE1 3.15Å; Q683-E687 WeakPolarHBondContact O-CG 3.41Å; Q683-E687 PolarHBondContact O-N 2.88Å
684Y48.2Very low50.2Low165 Ų16585.9 Ų85.965%0.64740%0.395SS*.Hα-helixtrans-60.6-37.7172.6-80-59.6000111.9K680 F688K680-Y684 VanDerWaalsContact O-CD2 3.27Å; K680-Y684 WeakPolarHBondContact O-CD2 3.47Å; K680-Y684 PolarHBondContact O-N 3.17Å; Y684-F688 WeakPolarHBondContact O-CB 3.45Å; Y684-F688 PolarHBondContact O-N 3.36Å
685E50.9Low49.4Very low28 Ų2887.8 Ų87.813%0.13142%0.416CS..Hα-helixtrans-58.9-48.7171.9-165.8-152.7123.800110.7V681 Q683 L689 R1091V681-E685 WeakPolarHBondContact O-CB 3.48Å; V681-E685 PolarHBondContact O-N 3.46Å; Q683-E685 VanDerWaalsContact C-N 3.3Å; Q683-E685 PolarHBondContact O-N 2.66Å; E685-L689 HydrophobicContact CG-CD1 3.8Å; E685-L689 HydrophobicContact CG-CG 4.46Å; E685-L689 WeakPolarHBondContact O-CB 3.49Å; E685-L689 WeakPolarHBondContact O-CD1 3.16Å; E685-L689 WeakPolarHBondContact O-CG 3.47Å; E685-L689 PolarHBondContact O-N 2.7Å; E685-L689 WeakPolarHBondContact OE1-CD1 3.11Å; E685-R1091 VanDerWaalsContact OE1-CD 3.29Å; E685-R1091 WeakPolarHBondContact OE1-CD 3.39Å; E685-R1091 VanDerWaalsContact OE1-CG 3.26Å; E685-R1091 WeakPolarHBondContact OE1-CG 3.47Å; E685-R1091 IonicContact OE1-CZ 3.2Å; E685-R1091 IonicContact OE1-NE 2.69Å; E685-R1091 IonicContact OE1-NH1 2.81Å; E685-R1091 PolarHBondContact OE1-NH1 3.08Å
686L52Low48.5Very low104 Ų10491.5 Ų91.555%0.54544%0.436SS..Hα-helixtrans-64.1-44.1179.5-74.2167000112.5R682 Q683 L689 E690R682-L686 WeakPolarHBondContact O-CB 3.15Å; R682-L686 VanDerWaalsContact O-CG 3.24Å; R682-L686 WeakPolarHBondContact O-CG 3.47Å; R682-L686 PolarHBondContact O-N 3.01Å; Q683-L686 PolarHBondContact O-N 3.49Å; Q683-L686 VanDerWaalsContact O-N 3.12Å; L686-L689 PolarHBondContact O-N 2.95Å; L686-E690 WeakPolarHBondContact O-CB 3.15Å; L686-E690 PolarHBondContact O-N 3.4Å
687E55.7Low47.4Very low89 Ų8994.3 Ų94.342%0.41645%0.453SS..Hα-helixtrans-65.3-50.8179.5-71.9170.5-179.200111.6Q683 L689 E690 E691Q683-E687 WeakPolarHBondContact CG-OE1 3.39Å; Q683-E687 PolarHBondContact NE2-OE1 3.15Å; Q683-E687 WeakPolarHBondContact O-CG 3.41Å; Q683-E687 PolarHBondContact O-N 2.88Å; E687-L689 VanDerWaalsContact C-N 3.27Å; E687-L689 PolarHBondContact O-N 3.4Å; E687-E690 PolarHBondContact O-N 2.91Å; E687-E690 VanDerWaalsContact O-N 3.13Å; E687-E691 PolarHBondContact O-N 2.91Å
688F47.3Very low47.4Very low39 Ų3996.7 Ų96.717%0.17148%0.477CS..Hα-helixtrans-56.5-39.8174.7176.3-116.7000112.1Y684 L692 F1086 V1144 N1147Y684-F688 WeakPolarHBondContact O-CB 3.45Å; Y684-F688 PolarHBondContact O-N 3.36Å; F688-L692 HydrophobicContact CD1-CD1 4.06Å; F688-L692 HydrophobicContact CD2-CD1 3.9Å; F688-L692 HydrophobicContact CD2-CG 4.43Å; F688-L692 HydrophobicContact CE1-CD1 3.75Å; F688-L692 HydrophobicContact CE2-CD1 3.57Å; F688-L692 HydrophobicContact CE2-CG 4.37Å; F688-L692 HydrophobicContact CG-CD1 4.15Å; F688-L692 HydrophobicContact CZ-CD1 3.5Å; F688-L692 VanDerWaalsContact O-CB 3.3Å; F688-L692 WeakPolarHBondContact O-CB 3.43Å; F688-L692 WeakPolarHBondContact O-CG 3.26Å; F688-L692 PolarHBondContact O-N 2.89Å; F688-L692 VanDerWaalsContact O-N 3.14Å; F688-F1086 HydrophobicContact CE1-CE1 4.31Å; F688-F1086 HydrophobicContact CZ-CE1 4.24Å; F688-V1144 HydrophobicContact CE2-CG2 4.35Å; F688-V1144 HydrophobicContact CZ-CG1 4.38Å; F688-V1144 HydrophobicContact CZ-CG2 4.34Å; F688-N1147 HydrophobicContact CD2-CB 4.05Å; F688-N1147 HydrophobicContact CE2-CB 3.67Å; F688-N1147 HydrophobicContact CZ-CB 4.39Å
689L54.1Low46.5Very low14 Ų14105.2 Ų105.27%0.07352%0.516CS..Hα-helixtrans-74.3-32.5177.5-71.5174.6000113.6E685 L686 E687 L693 R1087 R1091E685-L689 HydrophobicContact CG-CD1 3.8Å; E685-L689 HydrophobicContact CG-CG 4.46Å; E685-L689 WeakPolarHBondContact O-CB 3.49Å; E685-L689 WeakPolarHBondContact O-CD1 3.16Å; E685-L689 WeakPolarHBondContact O-CG 3.47Å; E685-L689 PolarHBondContact O-N 2.7Å; E685-L689 WeakPolarHBondContact OE1-CD1 3.11Å; L686-L689 PolarHBondContact O-N 2.95Å; E687-L689 VanDerWaalsContact C-N 3.27Å; E687-L689 PolarHBondContact O-N 3.4Å; L689-L693 WeakPolarHBondContact O-CB 3.44Å; L689-L693 PolarHBondContact O-N 3.33Å; L689-R1087 HydrophobicContact CD2-CB 3.79Å; L689-R1087 VanDerWaalsContact CD2-CD 3.44Å; L689-R1087 HydrophobicContact CD2-CG 3.38Å; L689-R1091 VanDerWaalsContact CD1-CZ 3.47Å
690E53.9Low45.6Very low123 Ų123102.7 Ų102.758%0.57553%0.525SS*.Hα-helixtrans-72.6-39.5177.5-159.4-167.2129.400111.5L686 E687 L693 K694L686-E690 WeakPolarHBondContact O-CB 3.15Å; L686-E690 PolarHBondContact O-N 3.4Å; E687-E690 PolarHBondContact O-N 2.91Å; E687-E690 VanDerWaalsContact O-N 3.13Å; E690-L693 PolarHBondContact O-N 2.76Å; E690-K694 PolarHBondContact O-N 3.44Å; E690-K694 IonicContact OE1-NZ 2.75Å; E690-K694 PolarHBondContact OE1-NZ 3.34Å
691E53.5Low44.6Very low156 Ų156104.7 Ų104.773%0.72954%0.537SS*.Hα-helixtrans-65.9-45.6173.1-79.2-160.8119.200112.1E687 L693E687-E691 PolarHBondContact O-N 2.91Å; E691-L693 PolarHBondContact O-N 3.3Å
692L47.7Very low43.7Very low53 Ų53113.6 Ų113.628%0.27758%0.575SS.*THydrogen-bonded Turntrans-70.32177.9-68.6176.3000114.5F688 R1087 V1144F688-L692 HydrophobicContact CD1-CD1 4.06Å; F688-L692 HydrophobicContact CD2-CD1 3.9Å; F688-L692 HydrophobicContact CD2-CG 4.43Å; F688-L692 HydrophobicContact CE1-CD1 3.75Å; F688-L692 HydrophobicContact CE2-CD1 3.57Å; F688-L692 HydrophobicContact CE2-CG 4.37Å; F688-L692 HydrophobicContact CG-CD1 4.15Å; F688-L692 HydrophobicContact CZ-CD1 3.5Å; F688-L692 VanDerWaalsContact O-CB 3.3Å; F688-L692 WeakPolarHBondContact O-CB 3.43Å; F688-L692 WeakPolarHBondContact O-CG 3.26Å; F688-L692 PolarHBondContact O-N 2.89Å; F688-L692 VanDerWaalsContact O-N 3.14Å; L692-R1087 VanDerWaalsContact CB-NH2 3.35Å; L692-R1087 PolarHBondContact O-NH2 2.9Å; L692-V1144 HydrophobicContact CD1-CG2 4.3Å; L692-V1144 HydrophobicContact CD2-CG2 4.09Å
693L47.2Very low42.6Very low108 Ų108115.7 Ų115.757%0.56559%0.591SS**THydrogen-bonded Turntrans-132.813.7-179.8-80.8178.1000116.2L689 E690 E691 P695 R1087L689-L693 WeakPolarHBondContact O-CB 3.44Å; L689-L693 PolarHBondContact O-N 3.33Å; E690-L693 PolarHBondContact O-N 2.76Å; E691-L693 PolarHBondContact O-N 3.3Å; L693-P695 WeakPolarHBondContact O-CD 3.44Å; L693-R1087 VanDerWaalsContact CD2-NH1 3.29Å; L693-R1087 VanDerWaalsContact CG-NH1 3.3Å
694K37.9Very low41.5Very low129 Ų129116.3 Ų116.356%0.56160%0.604SS**  trans-78.3103.5162.5-74.6-173.4179.577.10110.1E690 K696E690-K694 PolarHBondContact O-N 3.44Å; E690-K694 IonicContact OE1-NZ 2.75Å; E690-K694 PolarHBondContact OE1-NZ 3.34Å; K694-K696 PolarHBondContact O-N 2.88Å
695P35.3Very low40.6Very low114 Ų114118 Ų11874%0.7462%0.618SS**  trans-61.4128.2163.128.7-34.4000107.7L693 S697L693-P695 WeakPolarHBondContact O-CD 3.44Å; P695-S697 VanDerWaalsContact C-N 3.3Å; P695-S697 PolarHBondContact O-N 2.92Å
696K33.5Very low39.5Very low204 Ų204119.9 Ų119.989%0.88764%0.644SS**  trans-69.391.6172-75.9-167.2173.9-170.10109.1K694 S698K694-K696 PolarHBondContact O-N 2.88Å; K696-S698 VanDerWaalsContact C-N 3.31Å; K696-S698 PolarHBondContact O-N 3.17Å
697S32.9Very low38.4Very low104 Ų104121.2 Ų121.273%0.72766%0.662SS**  trans-66.288.8171.8590000110.4P695 Q699P695-S697 VanDerWaalsContact C-N 3.3Å; P695-S697 PolarHBondContact O-N 2.92Å; S697-Q699 PolarHBondContact O-N 3.11Å
698S43.8Very low37Very low115 Ų115122.1 Ų122.180%0.80468%0.678SS**SBendtrans50.358.2151.9640000117.5K696K696-S698 VanDerWaalsContact C-N 3.31Å; K696-S698 PolarHBondContact O-N 3.17Å
699Q31.8Very low36.6Very low190 Ų190126 Ų12689%0.88871%0.708SS**  trans-141.9134.5147.7-74.7-159.5-11.600110.6S697S697-Q699 PolarHBondContact O-N 3.11Å
700G30.4Very low35.4Very low76 Ų76131.8 Ų131.878%0.78474%0.743SS**  trans94.438.516800000117.5F702G700-F702 PolarHBondContact O-N 3.03Å
701E29.6Very low34.3Very low185 Ų185131.6 Ų131.686%0.86475%0.753SS**  trans-73.6113.7153.8-77-170.2132.500109.2
702F27.4Very low33.6Very low200 Ų200130.2 Ų130.288%0.87776%0.76SS**  trans-101.1111.1156.6-106-84.7000107.8G700 P704G700-F702 PolarHBondContact O-N 3.03Å; F702-P704 WeakPolarHBondContact O-CD 3.48Å
703I28.9Very low33.5Very low136 Ų136131.2 Ų131.270%0.69778%0.783SS**  trans-74118.7174.1-64.4168000107.9
704P29.1Very low33.2Very low110 Ų110132.7 Ų132.771%0.71480%0.796SS**  trans-68131.2163.630-32.1000108.3F702 G706F702-P704 WeakPolarHBondContact O-CD 3.48Å; P704-G706 PolarHBondContact O-N 3.24Å; P704-G706 VanDerWaalsContact O-N 3.08Å
705Q29.9Very low33.8Very low202 Ų202130 Ų13094%0.94479%0.792SS**  trans-71.9108.3177.8-72.1-162-6.100110.5
706G26.9Very low34.4Very low66 Ų66126.6 Ų126.668%0.6877%0.771SS**  trans-144127167.600000108.3P704P704-G706 PolarHBondContact O-N 3.24Å; P704-G706 VanDerWaalsContact O-N 3.08Å
707S29.6Very low35.2Very low132 Ų132121.3 Ų121.392%0.92377%0.765SS**  trans-65.1135.2-17349.30000112.9
708S25.7Very low36.3Very low109 Ų109119.2 Ų119.276%0.76275%0.75SS**  trans-126.4137.6168.1-169.80000109.1
709P40.1Very low36.7Very low121 Ų121119.6 Ų119.679%0.78674%0.739SS**  trans-84.8139.7-166.132.8-35.7000113.6
710V28.1Very low37.4Very low135 Ų135116 Ų11682%0.81873%0.725SS**  trans-139.6135.2163.1178.80000107
711P31.9Very low38Very low119 Ų119121.8 Ų121.877%0.77372%0.723SS**  trans-69.7166.7-171.727.3-36.6000114.5
712S37.2Very low38.9Very low127 Ų127119.8 Ų119.889%0.88872%0.724SS**SBendtrans-58.9134.5170.852.20000112.9
713G45.6Very low39.3Very low73 Ų73115 Ų11575%0.75372%0.715SS**  trans120.658.4152.500000118.7
714T41.4Very low40.2Very low139 Ų139113.7 Ų113.785%0.85372%0.716SS**  trans-141.3115.6156.6-36.30000111.2
715P49.7Very low41.1Very low72 Ų72114.6 Ų114.647%0.46872%0.719SS.*  trans-77.8151.9-179.831.4-34.9000112.1L720P715-L720 HydrophobicContact CG-CD1 4.13Å; P715-L720 HydrophobicContact CG-CD2 4.06Å; P715-L720 HydrophobicContact CG-CG 4.11Å
716C49.2Very low41.7Very low43 Ų43112.1 Ų112.129%0.29171%0.711SS.*  trans-65.4149.9173.266.70000111.3C718 Q719 L720C716-C718 HydrophobicContact CB-CB 4Å; C716-C718 WeakPolarHBondContact CB-SG 3.34Å; C716-C718 PolarHBondContact O-N 2.69Å; C716-C718 VanDerWaalsContact SG-C 3.55Å; C716-C718 WeakPolarHBondContact SG-CA 3.43Å; C716-C718 WeakPolarHBondContact SG-CB 3.3Å; C716-C718 PolarHBondContact SG-N 3.29Å; C716-C718 CovalentContact SG-SG 2.04Å; C716-C718 PolarHBondContact SG-SG 3.48Å; C716-Q719 PolarHBondContact O-N 2.94Å; C716-Q719 VanDerWaalsContact SG-CG 3.54Å; C716-Q719 PolarHBondContact SG-N 2.94Å; C716-L720 PolarHBondContact O-N 2.75Å
717A50.6Low42.7Very low93 Ų93119.5 Ų119.577%0.76973%0.725SS**THydrogen-bonded Turntrans-59.4-7.3163.600000113.4
718C54.7Low43.2Very low61 Ų61116.2 Ų116.241%0.41271%0.706SS.*THydrogen-bonded Turntrans-82.3-16.1174.178.70000114.7C716 C739 C741C716-C718 HydrophobicContact CB-CB 4Å; C716-C718 WeakPolarHBondContact CB-SG 3.34Å; C716-C718 PolarHBondContact O-N 2.69Å; C716-C718 VanDerWaalsContact SG-C 3.55Å; C716-C718 WeakPolarHBondContact SG-CA 3.43Å; C716-C718 WeakPolarHBondContact SG-CB 3.3Å; C716-C718 PolarHBondContact SG-N 3.29Å; C716-C718 CovalentContact SG-SG 2.04Å; C716-C718 PolarHBondContact SG-SG 3.48Å; C718-C739 WeakPolarHBondContact CB-SG 3.47Å; C718-C739 PolarHBondContact SG-SG 3.14Å; C718-C741 VanDerWaalsContact SG-CB 3.56Å
719Q53.1Low44.1Very low122 Ų122117.7 Ų117.757%0.5771%0.712SS**THydrogen-bonded Turntrans-106.6-29.6176.7-78167-5.700111.4C716 R721C716-Q719 PolarHBondContact O-N 2.94Å; C716-Q719 VanDerWaalsContact SG-CG 3.54Å; C716-Q719 PolarHBondContact SG-N 2.94Å; Q719-R721 PolarHBondContact O-N 2.98Å
720L45.7Very low44.4Very low115 Ų115114.9 Ų114.960%0.60271%0.706SS**SBendtrans-74.764.1175.5-64.1178000113.1P715 C716P715-L720 HydrophobicContact CG-CD1 4.13Å; P715-L720 HydrophobicContact CG-CD2 4.06Å; P715-L720 HydrophobicContact CG-CG 4.11Å; C716-L720 PolarHBondContact O-N 2.75Å
721R43.6Very low45.6Very low197 Ų197113 Ų11374%0.74369%0.69SS**  trans-174.168.5148.4-79.5-131-176.5-172.40.3111.8Q719Q719-R721 PolarHBondContact O-N 2.98Å
722T49.3Very low46.7Very low143 Ų143110 Ų11088%0.87767%0.672SS**  trans-113.468.7158.551.20000109.9
723S35.5Very low47.3Very low99 Ų99112.5 Ų112.569%0.69266%0.662SS**  trans-139137.8164.4-170.70000107.9
724P48.2Very low47.7Very low109 Ų109114.6 Ų114.671%0.70865%0.652SS**  trans-71.4171.2173.332-35.4000111.5
725V48Very low48.2Very low130 Ų130113.2 Ų113.279%0.78864%0.636SS**  trans75.7152.2179.3-162.80000114.2
726L41.6Very low48.5Very low149 Ų149117.6 Ų117.678%0.7864%0.643SS**  trans68.1105.6-176.3-52.8-175.3000116.7
727K48.3Very low48.7Very low221 Ų221124.4 Ų124.496%0.96166%0.663SS**  trans-73.1125.1175.2-63.1174.8-179.2174.40110.9
728A40Very low48.9Very low64 Ų64124 Ų12453%0.52966%0.655SS.*  trans-147.3157.3167.700000110.2G730A728-G730 PolarHBondContact O-N 3.33Å
729P45.1Very low49Very low139 Ų139123.2 Ų123.290%0.90365%0.649SS**  trans-62.6131.6-170.1-24.535.5000113.9
730G46.4Very low48.9Very low63 Ų63122.3 Ų122.365%0.64965%0.648SS**  trans-94130.5-177.200000113.8A728A728-G730 PolarHBondContact O-N 3.33Å
731I53.5Low49.4Very low96 Ų96119.5 Ų119.549%0.49264%0.638SS.*  trans-42.4146162.941.9169.4000113Q735 R736I731-Q735 HydrophobicContact CB-CB 4.48Å; I731-R736 HydrophobicContact CD1-CG 4.42Å; I731-R736 PolarHBondContact O-NH2 2.92Å
732S54Low49.7Very low55 Ų55119.1 Ų119.139%0.38564%0.641SS.*  trans-64.4163.5-168.978.50000113.7E734 Q735 R736S732-E734 VanDerWaalsContact C-N 3.27Å; S732-E734 PolarHBondContact O-N 3.28Å; S732-Q735 PolarHBondContact O-N 3.26Å; S732-Q735 PolarHBondContact OG-N 3.24Å; S732-R736 PolarHBondContact O-N 3.48Å
733R50.5Low49.6Very low180 Ų180121.7 Ų121.768%0.67964%0.635SS**THydrogen-bonded Turntrans-63.1-37176.6-169.4176.8-172.7-128.811.7111.3R736 R737R733-R736 PolarHBondContact O-N 2.99Å; R733-R737 PolarHBondContact O-N 3.17Å
734E54.3Low49.8Very low117 Ų117124.5 Ų124.555%0.54764%0.639SS.*THydrogen-bonded Turntrans-68.2-42174.9-82.843.4-111.500112.1S732 R736 R737 S738S732-E734 VanDerWaalsContact C-N 3.27Å; S732-E734 PolarHBondContact O-N 3.28Å; E734-R736 PolarHBondContact O-N 3.07Å; E734-R737 WeakPolarHBondContact O-CA 3.21Å; E734-R737 WeakPolarHBondContact O-CB 3.31Å; E734-R737 PolarHBondContact O-N 2.86Å; E734-S738 PolarHBondContact O-N 3.36Å; E734-S738 VanDerWaalsContact O-N 3.1Å
735Q51.9Low49.5Very low110 Ų110124.2 Ų124.251%0.51464%0.639SS.*THydrogen-bonded Turntrans-63-25.2173.9-81.8174.2-46.500113.2I731 S732 R737 S738I731-Q735 HydrophobicContact CB-CB 4.48Å; S732-Q735 PolarHBondContact O-N 3.26Å; S732-Q735 PolarHBondContact OG-N 3.24Å; Q735-R737 VanDerWaalsContact C-N 3.34Å; Q735-S738 WeakPolarHBondContact CA-OG 3.48Å; Q735-S738 PolarHBondContact O-OG 3.09Å
736R56.1Low49.3Very low164 Ų164129.3 Ų129.362%0.61964%0.644SS**THydrogen-bonded Turntrans-80.4-11.2170.2-100.8174.7-81.8-148.4-1.8114.4I731 S732 R733 E734I731-R736 HydrophobicContact CD1-CG 4.42Å; I731-R736 PolarHBondContact O-NH2 2.92Å; S732-R736 PolarHBondContact O-N 3.48Å; R733-R736 PolarHBondContact O-N 2.99Å; E734-R736 PolarHBondContact O-N 3.07Å
737R52.1Low49.1Very low186 Ų186125.6 Ų125.670%0.70264%0.641SS**THydrogen-bonded Turntrans-93.6-18.5171.2-70.4176169.8-112.2-5.1112.8R733 E734 Q735R733-R737 PolarHBondContact O-N 3.17Å; E734-R737 WeakPolarHBondContact O-CA 3.21Å; E734-R737 WeakPolarHBondContact O-CB 3.31Å; E734-R737 PolarHBondContact O-N 2.86Å; Q735-R737 VanDerWaalsContact C-N 3.34Å
738S54.7Low48.3Very low85 Ų85123.2 Ų123.259%0.59464%0.636SS**SBendtrans-97.522.4180680000114.8E734 Q735E734-S738 PolarHBondContact O-N 3.36Å; E734-S738 VanDerWaalsContact O-N 3.1Å; Q735-S738 WeakPolarHBondContact CA-OG 3.48Å; Q735-S738 PolarHBondContact O-OG 3.09Å
739C56.8Low47.9Very low44 Ų44131.7 Ų131.730%0.29765%0.654SS.*  trans-108.993.8174.9-154.80000109C718 C741C718-C739 WeakPolarHBondContact CB-SG 3.47Å; C718-C739 PolarHBondContact SG-SG 3.14Å; C739-C741 VanDerWaalsContact C-SG 3.52Å; C739-C741 VanDerWaalsContact CA-SG 3.53Å; C739-C741 HydrophobicContact CB-CB 3.97Å; C739-C741 WeakPolarHBondContact CB-SG 3.41Å; C739-C741 PolarHBondContact O-N 2.85Å; C739-C741 WeakPolarHBondContact SG-CB 3.46Å; C739-C741 CovalentContact SG-SG 2.05Å; C739-C741 PolarHBondContact SG-SG 3.28Å
740D50.8Low47.4Very low102 Ų102131.5 Ų131.555%0.54565%0.645SS.*G310 helixtrans-63.2-2.8176-78.1-71.9000114.2K742 R743 M744D740-K742 PolarHBondContact O-N 3.05Å; D740-R743 WeakPolarHBondContact O-CA 3.45Å; D740-R743 VanDerWaalsContact O-CB 3.26Å; D740-R743 WeakPolarHBondContact O-CB 3.08Å; D740-R743 PolarHBondContact O-N 2.84Å; D740-M744 PolarHBondContact O-N 3.49Å
741C55.9Low46.8Very low57 Ų57134.2 Ų134.239%0.38565%0.651SS.*G310 helixtrans-35.1-26.4160.6-410000115.4C718 C739C718-C741 VanDerWaalsContact SG-CB 3.56Å; C739-C741 VanDerWaalsContact C-SG 3.52Å; C739-C741 VanDerWaalsContact CA-SG 3.53Å; C739-C741 HydrophobicContact CB-CB 3.97Å; C739-C741 WeakPolarHBondContact CB-SG 3.41Å; C739-C741 PolarHBondContact O-N 2.85Å; C739-C741 WeakPolarHBondContact SG-CB 3.46Å; C739-C741 CovalentContact SG-SG 2.05Å; C739-C741 PolarHBondContact SG-SG 3.28Å
742K49.8Very low45.8Very low189 Ų189136.3 Ų136.382%0.82266%0.663SS**G310 helixtrans-100.5-8.7177.8-148.5169.8-170.9174.20114.6D740D740-K742 PolarHBondContact O-N 3.05Å
743R47.5Very low44.7Very low197 Ų197140 Ų14074%0.74368%0.683SS**THydrogen-bonded Turntrans-90.2-35.8-179-160.7174-143.9-167.92.3112.1D740 C745D740-R743 WeakPolarHBondContact O-CA 3.45Å; D740-R743 VanDerWaalsContact O-CB 3.26Å; D740-R743 WeakPolarHBondContact O-CB 3.08Å; D740-R743 PolarHBondContact O-N 2.84Å; R743-C745 VanDerWaalsContact C-N 3.34Å; R743-C745 PolarHBondContact O-N 3.11Å
744M41.1Very low44.1Very low157 Ų157137.1 Ų137.177%0.77369%0.688SS**G310 helixtrans-65.1-31.6-178.4-63.8-61.2-72.200113.8D740 R746D740-M744 PolarHBondContact O-N 3.49Å; M744-R746 PolarHBondContact O-N 3.41Å
745C41.5Very low43Very low104 Ų104138.5 Ų138.570%0.70370%0.704SS**G310 helixtrans-93.628-169.7-51.90000115.1R743R743-C745 VanDerWaalsContact C-N 3.34Å; R743-C745 PolarHBondContact O-N 3.11Å
746R43.5Very low41.8Very low236 Ų236135.9 Ų135.989%0.89171%0.707SS**G310 helixtrans-135.610.3175-71.8-165.7171.3-143.8-5.9114.8M744M744-R746 PolarHBondContact O-N 3.41Å
747G37.8Very low40.5Very low71 Ų71134.2 Ų134.273%0.73272%0.715SS**  trans-91.9-9.8-177.800000116.1
748M31Very low39.3Very low172 Ų172130.9 Ų130.985%0.84772%0.716SS**  trans-97112-176-68.2-178.173.500112.3
749R32Very low38.1Very low241 Ų241132.4 Ų132.491%0.90972%0.721SS**  trans-128.3128.5146.6-86.5-175.1169.2151.1-4.5107.4
750L35.2Very low36.9Very low136 Ų136138.1 Ų138.171%0.71274%0.744SS**  trans-75.2143.5173.8-65.2164.8000109.7
751P33.2Very low35.8Very low119 Ų119138.1 Ų138.177%0.77375%0.748SS**  trans-100.297.1155.833.5-22.9000109.2
752D32.2Very low34.5Very low141 Ų141143.7 Ų143.775%0.75477%0.765SS**  trans-72.3160.1163.6-67.4-59.6000110.5
753T31.8Very low33.7Very low132 Ų132141.6 Ų141.681%0.8176%0.763SS**  trans-94.7-164.4-170.858.80000112.1
754P37.8Very low32.8Very low120 Ų120144.2 Ų144.278%0.77977%0.773SS**  -106.4140.1-108.934.6-19.8000114
755V29.6Very low32.3Very low146 Ų146140.1 Ų140.189%0.88577%0.771SS**  trans-137.7127.3165.6-176.40000111
756G28.1Very low32Very low55 Ų55145 Ų14557%0.56777%0.774SS**  trans71.4105.3136.600000120
757T28.4Very low31.4Very low129 Ų129139.3 Ų139.379%0.79176%0.758SS**  64.1126.2122.952.30000121.9
758T27.4Very low31.5Very low116 Ų116145.2 Ų145.271%0.71276%0.758SS**  trans75.9105.8134.755.20000121.5
759T29.7Very low31.7Very low117 Ų117142.7 Ų142.772%0.71875%0.748SS**  67.8115.2124.4600000122
760E29.8Very low31.8Very low164 Ų164138 Ų13877%0.76674%0.739SS**  85.1107.7120.4-69.9-154.112500123.3
761T28.6Very low31.9Very low102 Ų102136.1 Ų136.163%0.62674%0.738SS**  96132.8119.965.20000123
762K28.7Very low32.1Very low174 Ų174139.4 Ų139.476%0.75774%0.74SS**  trans66.496.8135.8-73.3171.3-179.3165.20120.8
763N32Very low32.1Very low144 Ų144138.9 Ų138.977%0.7774%0.742SS**  64.3140.4103.7-65.1-11000122.1
764R30.5Very low33.5Very low252 Ų252138.5 Ų138.595%0.95174%0.742SS**  trans79.7135.2166.3-59.5172.3170.9169.7-4.5115.6
765G29.1Very low34.2Very low71 Ų71138.7 Ų138.773%0.73274%0.743SS**  cis155.4166-16.300000116.2
766R35Very low34.3Very low207 Ų207136.3 Ų136.378%0.78174%0.738SS**  trans67.7126.3162.8-67-175.674.3144.43.1119.8
767E30.8Very low34.5Very low116 Ų116140.4 Ų140.454%0.54275%0.752SS.*  trans74151.5130.7-72.3-174.4139.100120.7
768R40.5Very low35.5Very low196 Ų196140 Ų14074%0.7475%0.752SS**  cis-169.8170-25.9-129.2177.4180152.4-8.5110.6
769N35.1Very low35.7Very low119 Ų119142.5 Ų142.564%0.63676%0.755SS**  trans84115.3141.3-72.8-5.3000125.5
770I34.8Very low35.6Very low141 Ų141142.9 Ų142.972%0.72376%0.758SS**  95.4129113.1-68.6172.4000124.1
771S36.7Very low36.5Very low98 Ų98140.3 Ų140.369%0.68576%0.756SS**  trans81.6110.1145.4670000128.4
772K37.4Very low36.8Very low188 Ų188143.6 Ų143.682%0.81776%0.764SS**  67111.6113.6-64.7-178.2177.2-177.70125.9
773T33.1Very low36.9Very low129 Ų129139.9 Ų139.979%0.79176%0.756SS**  50.4154.912758.40000123.7
774P60.4Low37Very low125 Ų125142.3 Ų142.381%0.81276%0.762SS**  cis-118.6-119.6840.9-20.9000113.7
775P52.1Low37.1Very low124 Ų124133.8 Ų133.881%0.80575%0.753SS**  cis-124.6-154.5-444.6-25.5000115.9
776A32Very low37.4Very low95 Ų95135.1 Ų135.179%0.78576%0.757SS**  trans-162.3177.5-17500000119.6
777V32.3Very low37.4Very low141 Ų141131.4 Ų131.486%0.85576%0.758SS**  trans81.9155.8163.9159.40000117.6
778P50Low37.4Very low121 Ų121137.9 Ų137.979%0.78678%0.777SS**  cis-129.3-12216.141.7-19.3000120.2
779Q32.4Very low37.1Very low168 Ų168139.5 Ų139.579%0.78578%0.783SS**  trans-156.9173.5-148.9-63.8-174.5-19.600120.6
780T26.5Very low37.6Very low126 Ų126138 Ų13877%0.77378%0.78SS**  trans76.7163.8148.843.20000123.6
781P49.4Very low37.6Very low110 Ų110139.2 Ų139.271%0.71478%0.783SS**  cis-143.9-175.5-34.438.7-18.6000118.7
782Q34Very low37.3Very low171 Ų171139.9 Ų139.980%0.79978%0.783SS**  trans85.4164158-66.6-135.189.200122.8
783T31.9Very low37Very low96 Ų96138.5 Ų138.559%0.58978%0.783SS**  cis-175.1155.7-30.4-81.60000114.7
784Q34.2Very low36.9Very low194 Ų194139.9 Ų139.991%0.90778%0.781SS**  trans66.5142.4164.4-83172.635.700122.9
785G30.9Very low35.5Very low73 Ų73140.2 Ų140.275%0.75378%0.775SS**  cis-177.3158.4-900000118.5
786A35.3Very low34.4Very low100 Ų100143 Ų14383%0.82677%0.774SS**  trans73.3169.6169.400000119.3
787T35.6Very low34.3Very low128 Ų128143.6 Ų143.679%0.78577%0.768SS**  cis-158148.98.4-31.20000115.8
788R31.3Very low34.1Very low253 Ų253142.5 Ų142.596%0.95576%0.762SS**  trans59.8-179.5157.3-89.3-177.7-179-164.50.4123.3
789R33.9Very low33Very low230 Ų230147.3 Ų147.387%0.86876%0.764SS**  trans-155-178.1-142.1-122.8-173.3-170.5-1735.6110.9
790P45.5Very low32.9Very low88 Ų88144.9 Ų144.957%0.57176%0.756SS**  cis-142.9178.8-12.942-22.8000118.3
791Q34.7Very low33Very low165 Ų165148.8 Ų148.877%0.77176%0.756SS**  trans68.1165.5142.4-82.1158.9-108.100122.4
792T31.5Very low32.1Very low113 Ų113148.1 Ų148.169%0.69375%0.754SS**  cis-168.6164.2-42.727.10000112.3
793L30.8Very low31.9Very low158 Ų158146 Ų14683%0.82775%0.753SS**  trans70.2173.8167.6-61.2173.9000118.5
794E29.5Very low31.8Very low158 Ų158146.2 Ų146.274%0.73876%0.758SS**  -163.6174.5-63.8-153.4-166.2-109.700110.2
795I31.8Very low31.5Very low133 Ų133144 Ų14468%0.68275%0.752SS**  trans92.4140.5157.1-60.5166.3000121.1
796K28.7Very low31.7Very low182 Ų182148.3 Ų148.379%0.79175%0.752SS**  trans-47.1168.2171.5-49.8147.2-173.4166.40114.1
797T29.5Very low31.7Very low108 Ų108149.2 Ų149.266%0.66375%0.753SS**  179.8148.266.344.30000115.7
798T29.5Very low31.7Very low118 Ų118153.1 Ų153.172%0.72475%0.753SS**  trans62.9152.4137.5610000125
799R25.9Very low32.1Very low222 Ų222147.7 Ų147.784%0.83874%0.739SS**  trans73.3156.8145.5-85.1-169.8178-168.41.5118.2
800I30.1Very low32.3Very low117 Ų117142.5 Ų142.560%0.674%0.735SS**  cis-158.9158.5-31.3-131.5-176.4000111
801R28.4Very low32.2Very low208 Ų208150.3 Ų150.379%0.78575%0.753SS**  trans16.1129.1159.2-59.2173.8177.3145.8-3.2122.9
802S30.6Very low32.2Very low96 Ų96145.7 Ų145.767%0.67175%0.749SS**  72.4166.4119.378.50000123.6
803T29.6Very low32.2Very low126 Ų126147.1 Ų147.177%0.77375%0.753SS**  trans70125.5163.637.90000115.7
804S30.2Very low32.3Very low101 Ų101147 Ų14771%0.70675%0.748SS**  67.7126.772.3-140.70000110
805L28.3Very low32.4Very low146 Ų146143.4 Ų143.476%0.76474%0.74SS**  -153.4-168.753.6-91.8168.6000114.5
806E35.2Very low32.2Very low164 Ų164142.6 Ų142.677%0.76675%0.746SS**  trans-64.3178.9178.9-56.2151.9101.200116.3
807S35Very low32.2Very low120 Ų120139.1 Ų139.184%0.83974%0.744SS**  trans96.7148.7143.683.80000121.6
808R35.7Very low32Very low210 Ų210141.7 Ų141.779%0.79275%0.752SS**  trans-75.2172170.7-71.8159.7146.8-144.512109.7
809E40.1Very low32.7Very low139 Ų139141 Ų14165%0.6575%0.75SS**  cis-142.4174.818.1-124.8104.1-156.800109.5
810P38.6Very low32.6Very low121 Ų121136.1 Ų136.179%0.78675%0.745SS**  -151.816410637.7-20.5000116.9
811R42.4Very low32.4Very low252 Ų252135.5 Ų135.595%0.95175%0.75SS**  trans-140.1162.5153.6-68.6-144.4-52.2-150.56.2107.6
812G34.9Very low32.3Very low67 Ų67131.7 Ų131.769%0.69175%0.75SS**  cis167.9-169.8-1.600000109.7
813D31.2Very low32.1Very low144 Ų144132.7 Ų132.777%0.7776%0.757SS**  trans-168.5156.6170.5-130.734000107.2
814Q33.7Very low31.8Very low155 Ų155137.2 Ų137.272%0.72476%0.76SS**  cis-151.2-145.1-11.2-146.1-164.7102.400106.9
815S31.1Very low31.7Very low83 Ų83137.1 Ų137.158%0.5876%0.756SS**  cis-160.2143.3-2.541.30000109.1
816S28.5Very low31.7Very low115 Ų115137 Ų13780%0.80476%0.756SS**  trans62.9135.2-179.976.90000115.1
817C26.7Very low31.4Very low110 Ų110134.8 Ų134.874%0.74376%0.757SS**  cis-144.8140.84.7-105.60000112.4
818L25.4Very low31.1Very low161 Ų161135.6 Ų135.684%0.84376%0.757SS**  trans68.9154.9145.3-66.7179.4000120
819P45.6Very low30.9Very low104 Ų104129.4 Ų129.468%0.67576%0.758SS**  -142.3-159.8-129.942.1-20.4000116
820T23.9Very low30.5Very low119 Ų119127.4 Ų127.473%0.7377%0.766SS**  trans78.8111.9161.8-510000114.6
821C24.5Very low30.6Very low104 Ų104126.8 Ų126.870%0.70376%0.762SS**  cis90120.743-67.30000115.5
822T27Very low30Very low129 Ų129121.2 Ų121.279%0.79175%0.746SS**  trans74.615714763.40000120.4
823S25.9Very low29.5Very low117 Ų117127.1 Ų127.182%0.81875%0.749SS**  trans72.4153.7178.585.10000115
824R23.2Very low29.5Very low220 Ų220128.9 Ų128.983%0.8375%0.75SS**  cis-174.1-178.1-22.3171.4171.2161.5-175.6-6106.2
825T28.7Very low29.5Very low100 Ų100129.8 Ų129.861%0.61375%0.752SS**  trans63108.7164.246.40000117.5
826D27.9Very low29.4Very low143 Ų143133.3 Ų133.377%0.76576%0.763SS**  50.9113.1119-45.5-46.6000119.2
827C29.3Very low29.3Very low118 Ų118133.4 Ų133.480%0.79775%0.751SS**  -156.2131.9100.9-113.10000113.4
828T29.2Very low30Very low137 Ų137139.4 Ų139.484%0.8476%0.758SS**  trans8.9126151.556.30000119.2
829G30.4Very low30.1Very low79 Ų79141.1 Ų141.181%0.81475%0.753SS**  trans-172.7-12.1172.900000120.3
830A32.2Very low29.3Very low98 Ų98145.5 Ų145.581%0.8176%0.758SS**  trans-71.5143.5161.200000108.5
831P41.6Very low29.3Very low108 Ų108144.7 Ų144.770%0.70176%0.756SS**  -145.1-176.957.233.2-10.4000114.2
832Q28.8Very low29.3Very low134 Ų134147.3 Ų147.363%0.62676%0.762SS**  cis-152.5131.8-18-116163.973.600105.1
833Y25.4Very low29.3Very low191 Ų191144.1 Ų144.175%0.74976%0.755SS**  35.89371.4-91.5-76.1000115.8
834K31.1Very low29.4Very low182 Ų182147.5 Ų147.579%0.79176%0.758SS**  trans-150.6108.1133-109.6139-170.1165.50113.1
835K32Very low29.8Very low174 Ų174144.6 Ų144.676%0.75776%0.758SS**  trans-64.1137.7162.5-59.9164.3174.5169.60108.3
836L29.1Very low30.2Very low157 Ų157145.8 Ų145.882%0.82276%0.76SS**  trans-93.3101.9153.8-96.1172.4000110.2
837Q27.5Very low30.2Very low117 Ų117146.4 Ų146.455%0.54776%0.763SS.*  trans44.3123.3137.6-66.8177.216.500120.3R839Q837-R839 HydrophobicContact CB-CG 4.45Å
838R41.8Very low30.5Very low235 Ų235144.8 Ų144.889%0.88775%0.753SS**  -71136.1127.6-67.1179.1175.4-176.9-2.6109.1
839R27.8Very low30.7Very low197 Ų197145.2 Ų145.274%0.74375%0.75SS**  trans-139.5131.1148.7-73.4-166.1-171.1-128.1-1.7104.5Q837Q837-R839 HydrophobicContact CB-CG 4.45Å
840Y27.7Very low30.7Very low197 Ų197147.6 Ų147.677%0.77374%0.744SS**  cis62.4117.434.9-89.7-74000115
841S24.5Very low30.5Very low101 Ų101149 Ų14971%0.70674%0.742SS**  trans77.8144.7161.4-54.50000117.5
842I24.5Very low31Very low159 Ų159149.1 Ų149.182%0.81574%0.743SS**  cis-164.8151.8-17.2-116.2157.7000108.3
843G26.1Very low31.1Very low62 Ų62148.5 Ų148.564%0.63975%0.748SS**  trans85.3142153.200000119.4
844E28.5Very low31.2Very low189 Ų189149.7 Ų149.788%0.88375%0.753SS**  trans44.7148.1134-61.5171.3-178.200120.5
845L30.9Very low31.1Very low159 Ų159145.4 Ų145.483%0.83275%0.751SS**  cis-148.5-175.611.6-16154.6000111.7
846D37Very low30.9Very low125 Ų125146.1 Ų146.167%0.66876%0.758SS**  trans-53.2153.9-168.8-126.1-55.9000120.8S848D846-S848 PolarHBondContact OD1-N 3.09Å
847N28.2Very low30.7Very low155 Ų155145.4 Ų145.483%0.82976%0.76SS**  -164.188.7113.8-117.6-21.7000112.4
848S35.8Very low30.7Very low84 Ų84149.2 Ų149.259%0.58777%0.774SS**  trans40.5135.8149.476.70000120.6D846D846-S848 PolarHBondContact OD1-N 3.09Å
849L33.6Very low30.5Very low146 Ų146143.4 Ų143.476%0.76477%0.767SS**  cis-158.6138.231.7-117.6132000112.2
850N31.5Very low30.2Very low129 Ų129143.8 Ų143.869%0.6977%0.774SS**  trans69.894.4149.9-77.78.7000125.5
851T28.1Very low31.6Very low127 Ų127139.5 Ų139.578%0.77977%0.77SS**  71.3153.1109.943.30000123.7
852P50.6Low31.6Very low111 Ų111144.5 Ų144.572%0.72178%0.779SS**  trans-140.5-157.1-139.942.1-20000116
853V30.7Very low31.7Very low121 Ų121141.5 Ų141.573%0.73377%0.772SS**  159.9120.2126.7160.10000116.5
854Y28.8Very low31.9Very low217 Ų217144.8 Ų144.885%0.85177%0.774SS**  trans58.6115.6143.2-80.8-115.6000127
855A29.1Very low31.9Very low91 Ų91142.6 Ų142.675%0.75276%0.764SS**  87.3159.6108.700000124
856E27.5Very low31.8Very low190 Ų190141.5 Ų141.589%0.88875%0.753SS**  trans-94.4165.4-169.2-49178.9102.500114.5
857V25Very low31.4Very low142 Ų142142.1 Ų142.186%0.86175%0.752SS**  trans-171.8146.1137.2138.80000111.7
858K27.2Very low31.2Very low196 Ų196142.6 Ų142.685%0.85275%0.751SS**  trans-113.3146.8157.2-71.7174179.7166.80106.2
859P37.7Very low30.9Very low113 Ų113144.6 Ų144.673%0.73475%0.751SS**  -166.5157.762.144.1-21.5000121
860K21.5Very low30.7Very low205 Ų205147.1 Ų147.189%0.89175%0.75SS**  trans64.9-177.4143.2-105.8-173176173.50119.1
861P57.6Low30.8Very low107 Ų107146.8 Ų146.870%0.69575%0.753SS**  trans-129.9-179.2-135.646.5-29.9000117
862K23.5Very low30.7Very low206 Ų206151.7 Ų151.790%0.89676%0.757SS**  trans141.6160.9165.1-85.5164.4-176.6-176.60108.8
863S27.1Very low29.8Very low96 Ų96150 Ų15067%0.67175%0.752SS**  cis-173.9168.6-20.6-1750000110.1
864L29.6Very low29.9Very low131 Ų131151.3 Ų151.369%0.68676%0.761SS**  trans84.3122147-123.779.9000122.6
865E28Very low29.7Very low143 Ų143144.4 Ų144.467%0.66876%0.756SS**  trans60.6161.1132.2-78.6170.4-136.200122.4
866K30Very low29.6Very low136 Ų136147.5 Ų147.559%0.59176%0.759SS**  cis-158.1171.911.1-135.4163.8-173.6-83.40113.6
867E29Very low29.5Very low138 Ų138150 Ų15065%0.64576%0.76SS**  trans20.9150.9145.6-86.9141.239.300122.6
868M24.2Very low29.6Very low165 Ų165150.4 Ų150.481%0.81376%0.757SS**  cis-155.9-154.816.4-100.9-149.3-171.600110
869E29.7Very low30.1Very low126 Ų126146.9 Ų146.959%0.58975%0.754SS**  -171.5153-79.5-179.7163.1158.900113.2
870R28.4Very low29.7Very low199 Ų199147.1 Ų147.175%0.75175%0.753SS**  trans13.7108.1165.3-73.7-174.3-83.5-168.1-8.5123.4
871V32.7Very low30.5Very low122 Ų122142.6 Ų142.674%0.73975%0.745SS**  44.9122.2111.5-1780000122.7
872R27.5Very low29Very low230 Ų230145.5 Ų145.587%0.86875%0.753SS**  trans-176.5150.1133.5-101.5157.7-70.4-179.62.9110.2
873A31.6Very low28.9Very low76 Ų76144 Ų14463%0.62875%0.749SS**  cis92.9132.75.700000118.1
874T31.9Very low29.7Very low148 Ų148144 Ų14491%0.90875%0.747SS**  cis-171.8149.8-13.425.40000112
875G25.4Very low29.4Very low72 Ų72145.1 Ų145.174%0.74275%0.752SS**  trans163.3166.716700000114
876L26.8Very low29.3Very low157 Ų157145.9 Ų145.982%0.82276%0.755SS**  cis-166.4138-6.6-115.4172.7000113.8
877R25.8Very low29Very low243 Ų243144.4 Ų144.492%0.91776%0.757SS**  trans67.3167.5151.5-97179.7176.2142.30.4124.6
878L27.1Very low28.8Very low149 Ų149145.7 Ų145.778%0.7876%0.763SS**  trans-110.4166.9-167.9-132.684.7000111.4
879P37.8Very low28.9Very low123 Ų123142.2 Ų142.280%0.79976%0.755SS**  -153.5177.779.241.2-21000118.5
880T28.3Very low28.7Very low118 Ų118143.8 Ų143.872%0.72476%0.763SS**  trans-84.7174.7170.4-1.30000112.4
881P38.8Very low28.7Very low110 Ų110142.8 Ų142.871%0.71477%0.766SS**  -158.1-166.359.339.9-14.2000119.1
882I25Very low28.7Very low167 Ų167141.1 Ų141.186%0.85677%0.766SS**  trans101.2153.2159.1-62.7162.6000119
883E21.9Very low28.7Very low175 Ų175139.1 Ų139.182%0.81877%0.766SS**  trans-127.5-166.3-158.6-116.7177.6-167.700110
884P43.5Very low28.7Very low97 Ų97139 Ų13963%0.6377%0.772SS**  cis-140.8-170-28.334.2-11.6000115.5
885I23.3Very low28.5Very low153 Ų153141.8 Ų141.879%0.78577%0.772SS**  trans85.8110.7137-92163000125.3
886H26.1Very low28.7Very low160 Ų160142 Ų14274%0.74177%0.773SS**  70.4122.7118.6-123.859.2000126.7
887T24.6Very low28.9Very low104 Ų104143.4 Ų143.464%0.63877%0.773SS**  trans60.9168.8134.152.60000124.1
888Q25.4Very low28.9Very low165 Ų165142.9 Ų142.977%0.77177%0.771SS**  cis178.7157-37-175.6169.3500111.1
889S26.3Very low28.8Very low92 Ų92139.1 Ų139.164%0.64377%0.768SS**  trans65.5165.1164.952.50000118.4
890H24.6Very low28.3Very low160 Ų160138.3 Ų138.374%0.74176%0.761SS**  cis-136.3164.611.2-83-85.3000110.4
891Q28.7Very low28.1Very low178 Ų178141.4 Ų141.483%0.83276%0.764SS**  57.6141.564.1-77.7-176.1-23.100116.7
892A31.7Very low27.3Very low87 Ų87144.6 Ų144.672%0.71977%0.768SS**  cis-172175.3-12.700000113.8
893E28Very low27.5Very low188 Ų188143.1 Ų143.188%0.87976%0.76SS**  trans76.6145.2160.3-69.5-147.6109.200124.7
894G30.9Very low27.7Very low73 Ų73143.9 Ų143.975%0.75376%0.763SS**  trans171151167.200000116.2
895K29.1Very low26.8Very low207 Ų207142.2 Ų142.290%0.976%0.764SS**  trans-146.8148.8-176.4-65.7170.9-177.9157.80114.5
896G28.3Very low26.8Very low75 Ų75143.8 Ų143.877%0.77377%0.768SS**  trans167.594.3157.600000124.2
897K31.6Very low26.6Very low188 Ų188144.1 Ų144.182%0.81777%0.77SS**  trans54.1116.3134.4-65.1177.6179.81720125.9
898R26.7Very low26.6Very low231 Ų231145.3 Ų145.387%0.87277%0.772SS**  78136.8127.6-67.3-158.4-71.5-152.33.4123.9
899G25.2Very low26.5Very low71 Ų71144.2 Ų144.273%0.73277%0.77SS**  trans127.563.2166.600000114.3
900V25.8Very low26.4Very low105 Ų105150.4 Ų150.464%0.63678%0.779SS**  66124.457.2175.50000112.3
901F24.4Very low26.2Very low183 Ų183148.7 Ų148.780%0.80378%0.776SS**  cis-94.9-130.9-0.7-64.4-89.3000111.5
902F23.4Very low25.8Very low178 Ų178145.4 Ų145.478%0.78177%0.768SS**  cis-167.1172.4-6.5-133.2-0.2000108
903I28.6Very low25.4Very low135 Ų135149.7 Ų149.769%0.69277%0.77SS**  cis-127.1-113.22-37.9169.1000111
904Q24.8Very low25.2Very low191 Ų191149 Ų14989%0.89377%0.767SS**  trans-105.6160.5-177.6-68.9158.7-70.800111.8
905G25.3Very low25Very low62 Ų62149.1 Ų149.164%0.63977%0.769SS**  cis-168.6164.7-3.800000108.7
906E23.2Very low24.7Very low187 Ų187145.3 Ų145.387%0.87476%0.763SS**  cis54.9129.435.8-69.3-178.6157.300112.3
907E22.9Very low24.6Very low166 Ų166145.5 Ų145.578%0.77677%0.765SS**  cis-141.9-165.94-132.3-174.7138.100107.6
908L23.4Very low24.3Very low130 Ų130143.4 Ų143.468%0.68176%0.758SS**  cis-174.4174.340.6-169.353.3000110.6
909L24.4Very low24.2Very low142 Ų142138 Ų13874%0.74375%0.751SS**  trans-62.9173.3161.3-70.2152.7000114.4
910R22.6Very low24.1Very low221 Ų221142.3 Ų142.383%0.83476%0.756SS**  trans74.1155.9162.3-89.7-166.8-67-156.5-2.9116.7
911D20.3Very low24.2Very low124 Ų124144.4 Ų144.466%0.66376%0.763SS**  cis-163.2162-19.7-148.2-26.7000109.2
912T21.1Very low24.1Very low110 Ų110142.4 Ų142.468%0.67577%0.766SS**  trans56.2148.9157.346.20000122.9
913K23.3Very low24.3Very low176 Ų176141.5 Ų141.577%0.76577%0.768SS**  trans74.7127156.4-71.1170.5177-175.80117.8
914E24.3Very low24.7Very low173 Ų173140.9 Ų140.981%0.80877%0.773SS**  cis83.7116.343.4-172.2179.8-126.500112
915G25.5Very low24.6Very low77 Ų77137 Ų13779%0.79477%0.768SS**  trans-17193.2-174.900000110.8
916T24.2Very low24.7Very low127 Ų127142.7 Ų142.778%0.77978%0.777SS**  trans-72.5148.1-167.6-45.60000114E918T916-E918 HydrophobicContact CG2-CG 4.3Å
917G25.7Very low24.8Very low79 Ų79142 Ų14281%0.81478%0.78SS**  trans-150.35618000000114.4
918E24.7Very low25Very low144 Ų144138.8 Ų138.867%0.67378%0.776SS**  trans-62.5156.3160.3-66.8-174.2136.800110.2T916T916-E918 HydrophobicContact CG2-CG 4.3Å
919V25.4Very low25.4Very low118 Ų118139.8 Ų139.872%0.71578%0.782SS**  cis-158.91520.2108.10000106.7
920L23.5Very low26Very low160 Ų160138 Ų13884%0.83877%0.772SS**  -175.6156.397.5-171.560.1000112.1
921L26.7Very low26.5Very low149 Ų149136 Ų13678%0.7877%0.77SS**  trans-90.6140.8-170.1-63153.5000113.9
922T23.9Very low27.5Very low142 Ų142136.9 Ų136.987%0.87178%0.775SS**  trans-149.4120.1140.9-14.10000111.8
923L27.4Very low28Very low158 Ų158138.6 Ų138.683%0.82777%0.773SS**  trans-100.3167.3156.5-72.7173.9000107.5
924P35.4Very low28.4Very low122 Ų122133.9 Ų133.979%0.79276%0.761SS**  cis-121.3-169.21347-32.3000111.5
925S22.9Very low28.6Very low111 Ų111128.8 Ų128.878%0.77674%0.744SS**  -158.4157.260.3-173.50000112.1
926E27.3Very low28.8Very low180 Ų180128.9 Ų128.984%0.84173%0.733SS**  trans-71.5153.9167.7-60.8158.6112.800111.1
927D26.1Very low29.2Very low173 Ų173132.3 Ų132.393%0.92574%0.737SS**  trans-139.6145.4156.5-157.1-10000108
928S26.8Very low29.5Very low99 Ų99131.2 Ų131.269%0.69272%0.717SS**  trans-123.4103.5-156.4-176.30000113.4D930S928-D930 VanDerWaalsContact C-N 3.29Å; S928-D930 PolarHBondContact O-N 3.16Å
929D31.3Very low30.2Very low151 Ų151127.5 Ų127.581%0.80770%0.698SS**  trans-76.170.9178-106.9-40.6000112.6K931D929-K931 PolarHBondContact O-N 2.92Å
930D36.8Very low30.6Very low103 Ų103125.2 Ų125.255%0.55169%0.686SS**  trans-77.369.6175.9-164.26.9000111.6S928S928-D930 VanDerWaalsContact C-N 3.29Å; S928-D930 PolarHBondContact O-N 3.16Å
931K34.6Very low31.1Very low179 Ų179122.8 Ų122.878%0.77867%0.667SS**  trans-114.94.3-173-75.4-66.7-177.3-172.80116D929D929-K931 PolarHBondContact O-N 2.92Å
932D39.8Very low31.4Very low144 Ų144119.6 Ų119.677%0.7764%0.644SS**  trans-119.857-168.5-116.7-34.7000115C934D932-C934 PolarHBondContact O-N 3.39Å
933K32Very low31.8Very low145 Ų145119.7 Ų119.763%0.6363%0.633SS**  trans-77.168.3170.3-71.9-169.5179.4-178.30112.2P254P254-K933 WeakPolarHBondContact O-CE 3.04Å; P254-K933 PolarHBondContact O-NZ 2.9Å
934C32.4Very low32Very low77 Ų77118.9 Ų118.952%0.5264%0.639SS.*  trans-75.7127179.9-160.30000112.3D932 S936D932-C934 PolarHBondContact O-N 3.39Å; C934-S936 PolarHBondContact O-N 2.97Å
935C28.7Very low31.6Very low66 Ų66119.5 Ų119.545%0.44663%0.631SS.*  trans-69120.8177.2-71.30000111.7F937 C938C935-F937 PolarHBondContact O-N 3.36Å; C935-C938 PolarHBondContact O-N 3.03Å; C935-C938 VanDerWaalsContact O-N 3.11Å
936S29.9Very low32.4Very low80 Ų80119.7 Ų119.756%0.55964%0.639SS**THydrogen-bonded Turntrans-65.5-2.7-162.960.70000117.6R244 C934R244-S936 PolarHBondContact NH1-O 3.18Å; C934-S936 PolarHBondContact O-N 2.97Å
937F31.1Very low32.6Very low198 Ų198115.1 Ų115.187%0.86863%0.632SS**THydrogen-bonded Turntrans-122.6-1.2-179-98.5-88.3000114.7C935 F939C935-F937 PolarHBondContact O-N 3.36Å; F937-F939 PolarHBondContact O-N 3.21Å
938C33.1Very low32.8Very low57 Ų57113.4 Ų113.439%0.38562%0.623SS.*  trans-74112.2178-78.90000111.3C935 C940C935-C938 PolarHBondContact O-N 3.03Å; C935-C938 VanDerWaalsContact O-N 3.11Å; C938-C940 VanDerWaalsContact C-N 3.29Å; C938-C940 PolarHBondContact O-N 3.33Å
939F38.6Very low33.1Very low66 Ų66118.6 Ų118.629%0.28964%0.637SS.*  trans-76.181.3171.7-135.9-69.4000109.7F9 C225 L226 F937 Y941F9-F939 HydrophobicContact CZ-CE2 4.11Å; C225-F939 HydrophobicContact CB-CE2 3.77Å; C225-F939 HydrophobicContact CB-CZ 3.99Å; L226-F939 HydrophobicContact CB-CE1 4.3Å; L226-F939 HydrophobicContact CB-CZ 3.84Å; L226-F939 HydrophobicContact CD1-CE1 4.08Å; L226-F939 HydrophobicContact CD1-CZ 3.95Å; F937-F939 PolarHBondContact O-N 3.21Å; F939-Y941 PolarHBondContact O-N 2.79Å
940C33.8Very low33.2Very low69 Ų69115.6 Ų115.647%0.46663%0.627SS.*  trans-73.184.1-172.9-71.40000111.7N222 C938 R942N222-C940 PolarHBondContact ND2-O 2.85Å; C938-C940 VanDerWaalsContact C-N 3.29Å; C938-C940 PolarHBondContact O-N 3.33Å; C940-R942 PolarHBondContact O-N 3.46Å
941Y33.9Very low33.1Very low109 Ų109115.7 Ų115.743%0.42764%0.636SS.*  trans-55.8131.4165.8-161.8-84.8000109.1I142 F939I142-Y941 HydrophobicContact CD1-CD2 3.95Å; I142-Y941 HydrophobicContact CD1-CE2 4.05Å; I142-Y941 HydrophobicContact CG1-CD2 4.43Å; I142-Y941 HydrophobicContact CG1-CE2 4.03Å; F939-Y941 PolarHBondContact O-N 2.79Å
942R34.5Very low33.4Very low82 Ų82116.5 Ų116.531%0.30964%0.643SS.*SBendtrans-61147.6-160.6-139.8-178.8-169.21316.8112.9H145 E216 D219 C940H145-R942 PolarHBondContact ND1-NH1 3.02Å; H145-R942 VanDerWaalsContact ND1-NH1 3.15Å; E216-R942 IonicContact OE2-NH2 3.47Å; E216-R942 PolarHBondContact OE2-NH2 2.79Å; D219-R942 IonicContact OD1-CZ 2.74Å; D219-R942 IonicContact OD1-NE 3.17Å; D219-R942 IonicContact OD1-NH1 2.77Å; D219-R942 PolarHBondContact OD1-NH1 2.83Å; D219-R942 IonicContact OD1-NH2 3.63Å; D219-R942 PolarHBondContact OD1-NH2 2.96Å; D219-R942 IonicContact OD2-CZ 2.68Å; D219-R942 IonicContact OD2-NH1 3.99Å; D219-R942 PolarHBondContact OD2-NH1 3.5Å; D219-R942 IonicContact OD2-NH2 3.71Å; D219-R942 PolarHBondContact OD2-NH2 3.23Å; C940-R942 PolarHBondContact O-N 3.46Å
943K31.6Very low33.3Very low145 Ų145117.8 Ų117.863%0.6364%0.641SS**  trans60.289.4171.5-71.2-176.6163.2-1610116.4E945K943-E945 VanDerWaalsContact C-N 3.3Å; K943-E945 HydrophobicContact CB-CG 4.19Å; K943-E945 HydrophobicContact CD-CG 4.05Å; K943-E945 WeakPolarHBondContact CD-OE1 3.38Å; K943-E945 VanDerWaalsContact CE-OE1 3.28Å; K943-E945 WeakPolarHBondContact CE-OE1 3.28Å; K943-E945 HydrophobicContact CG-CG 4.28Å; K943-E945 IonicContact NZ-OE1 2.77Å; K943-E945 PolarHBondContact NZ-OE1 3.41Å; K943-E945 PolarHBondContact O-N 3.12Å
944C31.3Very low33.7Very low141 Ų141118 Ų11895%0.95365%0.649SS**  trans-74.991.1134.4-70.60000107.4
945E28Very low33.7Very low134 Ų134120.7 Ų120.763%0.62665%0.654SS**  trans-72.5128.8167.5-87.8174165.500109.6K943 A947K943-E945 VanDerWaalsContact C-N 3.3Å; K943-E945 HydrophobicContact CB-CG 4.19Å; K943-E945 HydrophobicContact CD-CG 4.05Å; K943-E945 WeakPolarHBondContact CD-OE1 3.38Å; K943-E945 VanDerWaalsContact CE-OE1 3.28Å; K943-E945 WeakPolarHBondContact CE-OE1 3.28Å; K943-E945 HydrophobicContact CG-CG 4.28Å; K943-E945 IonicContact NZ-OE1 2.77Å; K943-E945 PolarHBondContact NZ-OE1 3.41Å; K943-E945 PolarHBondContact O-N 3.12Å; E945-A947 PolarHBondContact O-N 3.44Å; E945-A947 VanDerWaalsContact O-N 3.12Å
946A38.3Very low33.7Very low115 Ų115123.4 Ų123.495%0.9566%0.664SS**  trans-80.187.4173.900000109.2
947A33.1Very low33.5Very low84 Ų84124.3 Ų124.369%0.69467%0.67SS**  trans-137.5133.3176.300000110.7E945E945-A947 PolarHBondContact O-N 3.44Å; E945-A947 VanDerWaalsContact O-N 3.12Å
948D29.7Very low33.3Very low137 Ų137124.2 Ų124.273%0.73367%0.665SS**  trans53.872.8174.3-95.3-47.3000118.5S950D948-S950 VanDerWaalsContact CG-OG 3.3Å; D948-S950 PolarHBondContact O-N 2.71Å; D948-S950 WeakPolarHBondContact OD1-CB 3.39Å; D948-S950 PolarHBondContact OD1-OG 2.77Å
949E33Very low32.9Very low209 Ų209126.7 Ų126.798%0.97768%0.683SS**  trans-68.565.2148.5-74.7-71.1156.800110.1
950S33.4Very low32.5Very low87 Ų87128.6 Ų128.661%0.60870%0.696SS**  trans-144.513.2-17878.30000116.2D948D948-S950 VanDerWaalsContact CG-OG 3.3Å; D948-S950 PolarHBondContact O-N 2.71Å; D948-S950 WeakPolarHBondContact OD1-CB 3.39Å; D948-S950 PolarHBondContact OD1-OG 2.77Å
951S35.5Very low32.1Very low105 Ų105129 Ų12973%0.73470%0.697SS**  trans-137.265.2176.1-161.30000114K953S951-K953 VanDerWaalsContact C-N 3.26Å; S951-K953 PolarHBondContact O-N 3.43Å
952E40.2Very low31.8Very low197 Ų197129.1 Ų129.192%0.92170%0.704SS**  trans-75.970.8168.351.9167.5156.100112.2
953K36.7Very low31.7Very low170 Ų170131.6 Ų131.674%0.73972%0.719SS**SBendtrans-136.4117.1168.8-71.8-159.8172.5-166.30114S951 E955S951-K953 VanDerWaalsContact C-N 3.26Å; S951-K953 PolarHBondContact O-N 3.43Å; K953-E955 PolarHBondContact O-N 3.37Å
954D41.4Very low31.6Very low150 Ų150131.3 Ų131.380%0.80273%0.73SS**  trans53.742.7154.8-59.8-42.6000118.7L956D954-L956 PolarHBondContact O-N 3.46Å
955E31.3Very low31.6Very low133 Ų133132.1 Ų132.162%0.62172%0.724SS**  trans-70.766.1161.3-81.9-113.4106.300112K38 K953 S957K38-E955 WeakPolarHBondContact CE-OE1 3.45Å; K38-E955 IonicContact NZ-OE1 3.24Å; K38-E955 PolarHBondContact NZ-OE1 3.33Å; K38-E955 IonicContact NZ-OE2 3.67Å; K38-E955 PolarHBondContact NZ-OE2 3.15Å; K953-E955 PolarHBondContact O-N 3.37Å; E955-S957 PolarHBondContact O-N 3.35Å; E955-S957 PolarHBondContact O-OG 2.82Å
956L29.4Very low31.7Very low124 Ų124132 Ų13265%0.64973%0.734SS**  trans-61.296167.7-85.1172.7000109.9D954 Y958D954-L956 PolarHBondContact O-N 3.46Å; L956-Y958 VanDerWaalsContact C-N 3.3Å; L956-Y958 HydrophobicContact CB-CD2 4.29Å; L956-Y958 HydrophobicContact CB-CE2 3.93Å; L956-Y958 WeakPolarHBondContact O-CD2 3.48Å; L956-Y958 PolarHBondContact O-N 3.08Å
957S25.4Very low31.4Very low98 Ų98130.2 Ų130.269%0.68573%0.728SS**  trans-73.379.2-177.9-68.80000111.4E955 S959E955-S957 PolarHBondContact O-N 3.35Å; E955-S957 PolarHBondContact O-OG 2.82Å; S957-S959 VanDerWaalsContact C-N 3.31Å; S957-S959 PolarHBondContact O-N 2.68Å; S957-S959 PolarHBondContact O-OG 3.49Å
958Y27.6Very low31.2Very low196 Ų196134 Ų13477%0.76973%0.733SS**  trans-58.186.2178-78.6-82000112.5L956 I960L956-Y958 VanDerWaalsContact C-N 3.3Å; L956-Y958 HydrophobicContact CB-CD2 4.29Å; L956-Y958 HydrophobicContact CB-CE2 3.93Å; L956-Y958 WeakPolarHBondContact O-CD2 3.48Å; L956-Y958 PolarHBondContact O-N 3.08Å; Y958-I960 PolarHBondContact O-N 3.38Å
959S25.1Very low31.3Very low109 Ų109136.8 Ų136.876%0.76274%0.742SS**  trans-78.6104.3170.7-61.30000108.4S957 P961S957-S959 VanDerWaalsContact C-N 3.31Å; S957-S959 PolarHBondContact O-N 2.68Å; S957-S959 PolarHBondContact O-OG 3.49Å; S959-P961 VanDerWaalsContact O-CD 3.23Å; S959-P961 WeakPolarHBondContact O-CD 3.41Å
960I28.6Very low31.3Very low107 Ų107134.5 Ų134.555%0.54973%0.733SS.*  trans-79.8115.6-179.3-58.8177.1000109.1I30 Y958 L962I30-I960 HydrophobicContact CD1-CD1 4.11Å; Y958-I960 PolarHBondContact O-N 3.38Å; I960-L962 PolarHBondContact O-N 2.82Å
961P25.8Very low31Very low76 Ų76138 Ų13849%0.49475%0.745SS.*  trans-70.9127.3165.630.2-32.6000108.9Y297 S959 Q963Y297-P961 HydrophobicContact CE2-CG 4.26Å; S959-P961 VanDerWaalsContact O-CD 3.23Å; S959-P961 WeakPolarHBondContact O-CD 3.41Å; P961-Q963 PolarHBondContact O-N 2.94Å
962L28.2Very low30.7Very low112 Ų112138.4 Ų138.459%0.58675%0.748SS**  trans-65.3114.7175.7-72.2166.1000109.8A23 E26 I960A23-L962 HydrophobicContact CB-CD1 3.74Å; E26-L962 HydrophobicContact CG-CD2 4.22Å; I960-L962 PolarHBondContact O-N 2.82Å
963Q31.3Very low30.3Very low134 Ų134140 Ų14063%0.62675%0.745SS**PPolyproline II helixtrans-76.2121.7170.3-70.6-176.9-19.800109.6Y297 P961 L965Y297-Q963 PolarHBondContact OH-NE2 3.21Å; P961-Q963 PolarHBondContact O-N 2.94Å; Q963-L965 PolarHBondContact O-N 2.85Å
964V29.9Very low29.9Very low140 Ų140138.5 Ų138.585%0.84875%0.75SS**PPolyproline II helixtrans-67.5123.5170.8179.50000108.8
965L31.9Very low29.2Very low157 Ų157141 Ų14182%0.82276%0.755SS**PPolyproline II helixtrans-71.9126175.6-69.4172.3000110Q963 G967Q963-L965 PolarHBondContact O-N 2.85Å; L965-G967 PolarHBondContact O-N 3.19Å
966P29Very low29Very low131 Ų131140.6 Ų140.685%0.85176%0.763SS**SBendtrans-73.3125.5174.1-12.127.8000110.3
967G33Very low28.8Very low79 Ų79141 Ų14181%0.81477%0.77SS**  trans161.1-2.8173.100000119.1L965L965-G967 PolarHBondContact O-N 3.19Å
968M29.8Very low28.8Very low163 Ų163142.8 Ų142.880%0.80378%0.777SS**  trans-105.1120.8173.5-71.7179.366.700110.9
969E31.5Very low28.9Very low195 Ų195138.8 Ų138.891%0.91178%0.778SS**  trans-76.9143.3163.1-64.3-178.2137.100108.9
970M32.7Very low29.2Very low161 Ų161143 Ų14379%0.79378%0.782SS**  trans-118110.2179.3-96.7-74.2168.600109.2S972M970-S972 PolarHBondContact O-N 3.11Å
971D26.1Very low29.2Very low160 Ų160144.4 Ų144.486%0.85680%0.796SS**  trans-73.1125-179.3-117.3-37.4000111R973D971-R973 PolarHBondContact O-N 3.03Å; D971-R973 VanDerWaalsContact O-N 3.16Å
972S30.6Very low29.2Very low114 Ų114148.2 Ų148.280%0.79781%0.811SS**  trans-9559.2-163.841.30000112.5M970M970-S972 PolarHBondContact O-N 3.11Å
973R31.5Very low29.1Very low231 Ų231151.1 Ų151.187%0.87282%0.822SS**  trans-153.141-173.7-148.1166.5-84.9-151-4.4118.9D971D971-R973 PolarHBondContact O-N 3.03Å; D971-R973 VanDerWaalsContact O-N 3.16Å
974T27.5Very low29.1Very low138 Ų138150.8 Ų150.885%0.84783%0.829SS**  trans-146.9124.3162.913.90000112.9
975F26.4Very low28.9Very low203 Ų203152.3 Ų152.389%0.8983%0.831SS**  trans-129135.2169.1-75.1-83.5000109.3
976P27.8Very low28.8Very low124 Ų124151 Ų15181%0.80583%0.825SS**  trans-88.3111.5170.132.4-29.5000112
977V25.1Very low28.7Very low132 Ų132149.7 Ų149.780%0.883%0.825SS**  trans6.3126.6152.5-173.60000118.6
978V25.9Very low28.4Very low137 Ų137153.6 Ų153.683%0.8382%0.822SS**  trans-100.1137.7159.1-179.30000109.3
979S28.6Very low28.2Very low111 Ų111153.1 Ų153.178%0.77682%0.823SS**  trans-93.6148.8178.3-67.40000112.7
980K31.9Very low27.9Very low198 Ų198149.8 Ų149.886%0.86182%0.82SS**  trans-107.8134.9179.7-68.9177.2173.2-1790112.4
981T28.8Very low27.5Very low137 Ų137147.7 Ų147.784%0.8482%0.821SS**  trans178149.3145.935.10000107.5
982L25.2Very low27.4Very low155 Ų155143.1 Ų143.181%0.81281%0.812SS**  cis-145.3-1643.7-125.9167.7000110.2
983Q26.7Very low27.1Very low174 Ų174146.4 Ų146.481%0.81382%0.815SS**  trans-117.1142-168.3-65.2171.5-82.900114.7
984V30.3Very low27Very low127 Ų127143.5 Ų143.577%0.7781%0.811SS**  trans10.3132141.3-178.50000119
985L25.9Very low26.9Very low171 Ų171145.8 Ų145.890%0.89581%0.812SS**  trans-151.6154.8130.5-105.4177.4000111.1
986N30.1Very low27Very low130 Ų130145 Ų14570%0.69581%0.811SS**  trans-98.3162.5178.1-67.82000111.4
987A27.7Very low27Very low103 Ų103148.9 Ų148.985%0.85182%0.819SS**  trans-141.6149.6151.400000108.4
988E27.2Very low27Very low161 Ų161151.6 Ų151.675%0.75282%0.823SS**  trans-125.2156.4-168.9-68165.1137.200111.2
989D25.3Very low27.1Very low153 Ų153154.9 Ų154.982%0.81883%0.829SS**  trans67.7172.4154.1-62.4-16.6000122.1
990C24Very low27Very low125 Ų125158.4 Ų158.485%0.84583%0.833SS**  trans77.8131.6-178.4-62.70000118
991S24.9Very low26.9Very low117 Ų117158.6 Ų158.682%0.81884%0.837SS**  cis159.2141.8-34.550.10000108.6
992G25.1Very low26.9Very low65 Ų65161 Ų16167%0.6784%0.839SS**  trans131127.3-177.100000110.2
993E24Very low27Very low183 Ų183162.1 Ų162.186%0.85584%0.84SS**  cis59.3137.918.8-45178.6168.200113.4
994E28.1Very low27.3Very low170 Ų170158.8 Ų158.879%0.79483%0.834SS**  cis-73.4-144.4-14.4-64.285.9175.500111.4
995E27.1Very low27.5Very low185 Ų185161.2 Ų161.286%0.86484%0.837SS**  cis-159.1180-2-148.5162.3-149.300109
996E26.9Very low27.7Very low186 Ų186158.7 Ų158.787%0.86983%0.828SS**  trans-129.9152.5-179.4-63.9175.4149.400112.1
997E27.5Very low28Very low207 Ų207160.5 Ų160.597%0.96783%0.832SS**  trans-169.5146.3141.4-111.9172.1-16300111.9
998E25.3Very low28.1Very low189 Ų189162.5 Ų162.588%0.88383%0.829SS**  trans-113.3150.3-173.2-57.8178.5132.600112
999E28.1Very low28.9Very low205 Ų205159 Ų15996%0.95881%0.814SS**  trans-155.6139.1151-121.3175.8-155.700110.7
1000E27.4Very low29.4Very low186 Ų186155.2 Ų155.287%0.86979%0.794SS**  trans-106.2156.5-170.4-58.3-176.4122.800113.6
1001E28.7Very low30.3Very low201 Ų201156.5 Ų156.594%0.93979%0.792SS**  -164.6147.9128.4-111.5-178.9-172.500111.3
1002E28.7Very low31.2Very low189 Ų189161.8 Ų161.888%0.88379%0.794SS**  trans-81.4158.6-177.8-57.4-17011400112.3
1003E27.3Very low31.8Very low177 Ų177161.7 Ų161.783%0.82778%0.781SS**  172.5172.178.1-149.9-155.7-173.800108.2
1004P34.3Very low32.9Very low105 Ų105154.5 Ų154.568%0.68275%0.75SS**  cis-106.1178.1-46.418.13.3000112.5T1006P1004-T1006 PolarHBondContact O-N 2.84Å
1005Q34.3Very low34.1Very low178 Ų178149.2 Ų149.283%0.83274%0.741SS**  trans-54.2105.3-179.3-66.3179.7-18.200116.2
1006T30.3Very low35.9Very low117 Ų117143.1 Ų143.172%0.71872%0.716SS**  trans-90.4125.2133.341.60000109P1004 D1008P1004-T1006 PolarHBondContact O-N 2.84Å; T1006-D1008 VanDerWaalsContact C-N 3.25Å; T1006-D1008 PolarHBondContact O-N 3.47Å
1007Q35.8Very low37.9Very low168 Ų168135.4 Ų135.479%0.78568%0.681SS**  trans-74.983169-72.5-174.8-4.300109.2I1009Q1007-I1009 PolarHBondContact O-N 2.98Å
1008D30.1Very low40.3Very low146 Ų146131.2 Ų131.278%0.78166%0.661SS**  trans-61.9107.5168.4-92.4-31.7000109T1006 D1010T1006-D1008 VanDerWaalsContact C-N 3.25Å; T1006-D1008 PolarHBondContact O-N 3.47Å; D1008-D1010 PolarHBondContact O-N 3.46Å
1009I44.5Very low42.9Very low86 Ų86122.5 Ų122.544%0.44162%0.623SS.*  trans-74.194.6178.9-55.8179.8000107.2Q1007 L1011 R1023Q1007-I1009 PolarHBondContact O-N 2.98Å; I1009-L1011 PolarHBondContact O-N 3.3Å; I1009-L1011 VanDerWaalsContact O-N 3.11Å; I1009-R1023 HydrophobicContact CD1-CG 4.04Å
1010D34.7Very low45.6Very low75 Ų75112.9 Ų112.940%0.40158%0.578SS.*  trans-46.4120.9176.8162.542.4000110.9D1008 R1012 T1013 C1014D1008-D1010 PolarHBondContact O-N 3.46Å; D1010-R1012 PolarHBondContact O-N 2.95Å; D1010-R1012 WeakPolarHBondContact OD1-CB 3.44Å; D1010-R1012 WeakPolarHBondContact OD1-CG 3.27Å; D1010-R1012 PolarHBondContact OD1-N 2.68Å; D1010-R1012 WeakPolarHBondContact OD2-CB 3.45Å; D1010-T1013 WeakPolarHBondContact O-CB 3.08Å; D1010-T1013 PolarHBondContact O-N 3.37Å; D1010-T1013 VanDerWaalsContact O-N 3.08Å; D1010-T1013 VanDerWaalsContact OD2-CB 3.26Å; D1010-T1013 WeakPolarHBondContact OD2-CB 3.06Å; D1010-T1013 PolarHBondContact OD2-N 3.14Å; D1010-T1013 PolarHBondContact OD2-OG1 2.95Å; D1010-C1014 PolarHBondContact O-N 3.28Å
1011L44.3Very low48.3Very low152 Ų152105.1 Ų105.180%0.79654%0.542SS*.THydrogen-bonded Turntrans-69.4-17.2-176.1-64.1173.8000112.2I1009I1009-L1011 PolarHBondContact O-N 3.3Å; I1009-L1011 VanDerWaalsContact O-N 3.11Å
1012R41.8Very low51.1Low228 Ų22897.8 Ų97.886%0.8652%0.517SS*.THydrogen-bonded Turntrans-74.3-43.3169.2-51.4-179.1-175.3-162.53.5110.6D1010 C1014 G1015D1010-R1012 PolarHBondContact O-N 2.95Å; D1010-R1012 WeakPolarHBondContact OD1-CB 3.44Å; D1010-R1012 WeakPolarHBondContact OD1-CG 3.27Å; D1010-R1012 PolarHBondContact OD1-N 2.68Å; D1010-R1012 WeakPolarHBondContact OD2-CB 3.45Å; R1012-C1014 PolarHBondContact O-N 2.96Å; R1012-G1015 PolarHBondContact O-N 3.29Å
1013T39.1Very low53.8Low63 Ų6390.2 Ų90.239%0.38748%0.48SS..G310 helixtrans-66.1-20.2177.3-62.40000113.4D1010 G1015 T1016D1010-T1013 WeakPolarHBondContact O-CB 3.08Å; D1010-T1013 PolarHBondContact O-N 3.37Å; D1010-T1013 VanDerWaalsContact O-N 3.08Å; D1010-T1013 VanDerWaalsContact OD2-CB 3.26Å; D1010-T1013 WeakPolarHBondContact OD2-CB 3.06Å; D1010-T1013 PolarHBondContact OD2-N 3.14Å; D1010-T1013 PolarHBondContact OD2-OG1 2.95Å; T1013-G1015 PolarHBondContact O-N 3Å; T1013-T1016 HydrophobicContact CG2-CG2 4.43Å; T1013-T1016 WeakPolarHBondContact O-CB 3.34Å; T1013-T1016 WeakPolarHBondContact O-CG2 3.49Å; T1013-T1016 PolarHBondContact O-N 3.46Å; T1013-T1016 PolarHBondContact O-OG1 3.35Å
1014C46.8Very low56.8Low31 Ų3181.8 Ų81.821%0.20944%0.44CS..G310 helixtrans-58.8-16.5175-82.50000115.6D1010 R1012 T1016D1010-C1014 PolarHBondContact O-N 3.28Å; R1012-C1014 PolarHBondContact O-N 2.96Å; C1014-T1016 VanDerWaalsContact C-N 3.29Å
1015G52.2Low59.3Low59 Ų5982 Ų8261%0.60843%0.432SS*.G310 helixtrans-76-13171.200000114.5R1012 T1013R1012-G1015 PolarHBondContact O-N 3.29Å; T1013-G1015 PolarHBondContact O-N 3Å
1016T65.6Low61.8Low57 Ų5776.5 Ų76.535%0.3542%0.417SS..SBendtrans-87.3154.7-173.670.80000113.1T1013 C1014 E1018 G1019 S1020T1013-T1016 HydrophobicContact CG2-CG2 4.43Å; T1013-T1016 WeakPolarHBondContact O-CB 3.34Å; T1013-T1016 WeakPolarHBondContact O-CG2 3.49Å; T1013-T1016 PolarHBondContact O-N 3.46Å; T1013-T1016 PolarHBondContact O-OG1 3.35Å; C1014-T1016 VanDerWaalsContact C-N 3.29Å; T1016-E1018 PolarHBondContact O-N 3.12Å; T1016-G1019 PolarHBondContact OG1-N 2.98Å; T1016-S1020 WeakPolarHBondContact O-CB 3.3Å; T1016-S1020 PolarHBondContact O-N 2.79Å; T1016-S1020 VanDerWaalsContact O-N 3.09Å; T1016-S1020 PolarHBondContact O-OG 2.96Å
1017L69.1Low64.6Low25 Ų2571.3 Ų71.313%0.13139%0.385CS..Hα-helixtrans-75.6-14175.2-156.846.5000112.4L1021 C1055 I1122 V1125 R1126L1017-L1021 PolarHBondContact O-N 2.85Å; L1017-C1055 HydrophobicContact CD1-CB 4.16Å; L1017-I1122 HydrophobicContact CD1-CG2 3.62Å; L1017-I1122 HydrophobicContact CG-CG2 4.03Å; L1017-V1125 HydrophobicContact CD2-CG1 4.47Å; L1017-R1126 HydrophobicContact CD2-CG 3.42Å; L1017-R1126 VanDerWaalsContact CD2-CG 3.42Å; L1017-R1126 HydrophobicContact CG-CG 4.04Å
1018E78.5Confident66.9Low118 Ų11865.5 Ų65.555%0.55136%0.358SS*.Hα-helixtrans-74.7-56.1170.6-156.491.1-168.200111.1T1016 S1020 L1021 A1022 R1126T1016-E1018 PolarHBondContact O-N 3.12Å; E1018-S1020 PolarHBondContact O-N 3.33Å; E1018-L1021 WeakPolarHBondContact O-CA 2.94Å; E1018-L1021 WeakPolarHBondContact O-CB 3.16Å; E1018-L1021 PolarHBondContact O-N 3.42Å; E1018-A1022 PolarHBondContact O-N 3.36Å; E1018-R1126 IonicContact OE2-CZ 2.82Å; E1018-R1126 IonicContact OE2-NH1 3.26Å; E1018-R1126 PolarHBondContact OE2-NH1 3.17Å; E1018-R1126 IonicContact OE2-NH2 3.64Å; E1018-R1126 PolarHBondContact OE2-NH2 2.89Å
1019G80.3Confident69.1Low7 Ų761.7 Ų61.77%0.07235%0.353CS..Hα-helixtrans-60.9-30175.200000112.5T1016 R1023T1016-G1019 PolarHBondContact OG1-N 2.98Å; G1019-R1023 PolarHBondContact O-N 3.27Å
1020S82.9Confident70.9Confident3 Ų361.5 Ų61.52%0.02135%0.349CS..Hα-helixtrans-63.5-41.4169.2-60.90000112.7T1016 E1018 V1024T1016-S1020 WeakPolarHBondContact O-CB 3.3Å; T1016-S1020 PolarHBondContact O-N 2.79Å; T1016-S1020 VanDerWaalsContact O-N 3.09Å; T1016-S1020 PolarHBondContact O-OG 2.96Å; E1018-S1020 PolarHBondContact O-N 3.33Å; S1020-V1024 WeakPolarHBondContact O-CG2 3.42Å; S1020-V1024 PolarHBondContact O-N 2.84Å
1021L85.6Confident73.4Confident22 Ų2262.7 Ų62.712%0.11536%0.363CS..Hα-helixtrans-67.9-43.9174.8-79.1170.1000111.8L1017 E1018 R1023 V1024 Q1025 Q1119 I1122 K1123L1017-L1021 PolarHBondContact O-N 2.85Å; E1018-L1021 WeakPolarHBondContact O-CA 2.94Å; E1018-L1021 WeakPolarHBondContact O-CB 3.16Å; E1018-L1021 PolarHBondContact O-N 3.42Å; L1021-R1023 VanDerWaalsContact C-N 3.32Å; L1021-R1023 PolarHBondContact O-N 3.4Å; L1021-V1024 PolarHBondContact O-N 2.75Å; L1021-V1024 VanDerWaalsContact O-N 3.11Å; L1021-Q1025 WeakPolarHBondContact O-CG 3.02Å; L1021-Q1025 PolarHBondContact O-N 3.29Å; L1021-Q1119 HydrophobicContact CD2-CB 4.28Å; L1021-Q1119 HydrophobicContact CD2-CG 4.22Å; L1021-I1122 HydrophobicContact CD1-CG2 4.26Å; L1021-I1122 HydrophobicContact CD2-CB 3.81Å; L1021-I1122 HydrophobicContact CD2-CD1 4.43Å; L1021-I1122 HydrophobicContact CD2-CG2 3.61Å; L1021-I1122 HydrophobicContact CG-CB 4.42Å; L1021-I1122 HydrophobicContact CG-CG2 3.66Å; L1021-K1123 HydrophobicContact CD1-CG 4.21Å; L1021-K1123 HydrophobicContact CD2-CG 4.28Å
1022A86.1Confident75.6Confident48 Ų4856.3 Ų56.340%0.39733%0.329SS..Hα-helixtrans-58.1-43177.200000111.8E1018 V1024 Q1025 A1026E1018-A1022 PolarHBondContact O-N 3.36Å; A1022-V1024 PolarHBondContact O-N 3.44Å; A1022-Q1025 CarbonylContact O-C 3.56Å; A1022-Q1025 WeakPolarHBondContact O-CA 3.48Å; A1022-Q1025 WeakPolarHBondContact O-CB 3.35Å; A1022-Q1025 PolarHBondContact O-N 2.63Å; A1022-Q1025 VanDerWaalsContact O-N 3.1Å; A1022-A1026 PolarHBondContact O-N 3.13Å
1023R87.1Confident77.8Confident30 Ų3049.4 Ų49.411%0.11332%0.316CS..Hα-helixtrans-65.3-33.6175.1-79.3171.356.7-1390.7113.4I1009 G1019 L1021 A1026 L1027 E1047 I1051I1009-R1023 HydrophobicContact CD1-CG 4.04Å; G1019-R1023 PolarHBondContact O-N 3.27Å; L1021-R1023 VanDerWaalsContact C-N 3.32Å; L1021-R1023 PolarHBondContact O-N 3.4Å; R1023-A1026 PolarHBondContact O-N 3.27Å; R1023-L1027 WeakPolarHBondContact O-CG 3.27Å; R1023-L1027 PolarHBondContact O-N 3.28Å; R1023-E1047 IonicContact CZ-OE1 2.81Å; R1023-E1047 IonicContact NE-OE1 3.5Å; R1023-E1047 PolarHBondContact NE-OE1 2.87Å; R1023-E1047 IonicContact NH2-OE1 2.68Å; R1023-E1047 PolarHBondContact NH2-OE1 3.09Å; R1023-I1051 HydrophobicContact CB-CD1 3.72Å; R1023-I1051 HydrophobicContact CB-CG1 4.24Å
1024V88.5Confident80Confident0 Ų050 Ų500%032%0.316CS..Hα-helixtrans-72.5-30171.1-174.30000111.8S1020 L1021 A1022 L1027 Q1028 L1048 I1051 C1115 T1118 Q1119 I1122S1020-V1024 WeakPolarHBondContact O-CG2 3.42Å; S1020-V1024 PolarHBondContact O-N 2.84Å; L1021-V1024 PolarHBondContact O-N 2.75Å; L1021-V1024 VanDerWaalsContact O-N 3.11Å; A1022-V1024 PolarHBondContact O-N 3.44Å; V1024-L1027 PolarHBondContact O-N 3.01Å; V1024-Q1028 PolarHBondContact O-N 3.1Å; V1024-L1048 HydrophobicContact CB-CD1 4.4Å; V1024-L1048 HydrophobicContact CG1-CD1 3.79Å; V1024-L1048 HydrophobicContact CG2-CD1 3.81Å; V1024-I1051 HydrophobicContact CG2-CB 4.46Å; V1024-I1051 HydrophobicContact CG2-CD1 3.92Å; V1024-I1051 HydrophobicContact CG2-CG2 3.85Å; V1024-C1115 HydrophobicContact CG1-CB 3.95Å; V1024-T1118 HydrophobicContact CG1-CG2 4.31Å; V1024-T1118 HydrophobicContact CG2-CG2 4.11Å; V1024-Q1119 HydrophobicContact CB-CG 4.07Å; V1024-Q1119 HydrophobicContact CG1-CG 3.68Å; V1024-I1122 HydrophobicContact CG2-CD1 4.03Å
1025Q87.4Confident81.6Confident110 Ų11053.1 Ų53.151%0.51434%0.336SS..Hα-helixtrans-66.4-38.9170.9-70172.6-63.800111.4L1021 A1022 L1027 Q1028L1021-Q1025 WeakPolarHBondContact O-CG 3.02Å; L1021-Q1025 PolarHBondContact O-N 3.29Å; A1022-Q1025 CarbonylContact O-C 3.56Å; A1022-Q1025 WeakPolarHBondContact O-CA 3.48Å; A1022-Q1025 WeakPolarHBondContact O-CB 3.35Å; A1022-Q1025 PolarHBondContact O-N 2.63Å; A1022-Q1025 VanDerWaalsContact O-N 3.1Å; Q1025-L1027 PolarHBondContact O-N 3.31Å; Q1025-Q1028 WeakPolarHBondContact O-CB 3.33Å; Q1025-Q1028 PolarHBondContact O-N 3.12Å
1026A88Confident83.1Confident62 Ų6254.7 Ų54.751%0.51233%0.331SS..THydrogen-bonded Turntrans-67.5-13.8173.400000114.4A1022 R1023 K1030A1022-A1026 PolarHBondContact O-N 3.13Å; R1023-A1026 PolarHBondContact O-N 3.27Å; A1026-K1030 WeakPolarHBondContact O-CE 3.29Å
1027L87.2Confident84.2Confident8 Ų852 Ų524%0.04231%0.314CS..THydrogen-bonded Turntrans-91.9-12.2169.9-65.2179.3000113.3R1023 V1024 Q1025 K1030 D1044 E1047 L1048 I1051 F1111R1023-L1027 WeakPolarHBondContact O-CG 3.27Å; R1023-L1027 PolarHBondContact O-N 3.28Å; V1024-L1027 PolarHBondContact O-N 3.01Å; Q1025-L1027 PolarHBondContact O-N 3.31Å; L1027-K1030 HydrophobicContact CD2-CD 4.38Å; L1027-D1044 HydrophobicContact CD2-CB 4.2Å; L1027-D1044 WeakPolarHBondContact CD2-OD1 3.49Å; L1027-E1047 HydrophobicContact CD1-CB 4.42Å; L1027-E1047 HydrophobicContact CD1-CG 4.16Å; L1027-E1047 HydrophobicContact CD2-CG 4.37Å; L1027-L1048 HydrophobicContact CD1-CB 4.02Å; L1027-L1048 HydrophobicContact CD1-CD1 4.12Å; L1027-I1051 HydrophobicContact CD1-CD1 3.91Å; L1027-F1111 HydrophobicContact CB-CE1 4.3Å; L1027-F1111 HydrophobicContact CB-CZ 4.31Å; L1027-F1111 WeakPolarHBondContact O-CE1 3.13Å
1028Q84.4Confident85.1Confident45 Ų4551.4 Ų51.421%0.2131%0.31CS..THydrogen-bonded Turntrans-79157.9173.1-74.2176.2-33.900111.7V1024 Q1025 K1030 C1115 E1116 Q1119V1024-Q1028 PolarHBondContact O-N 3.1Å; Q1025-Q1028 WeakPolarHBondContact O-CB 3.33Å; Q1025-Q1028 PolarHBondContact O-N 3.12Å; Q1028-K1030 PolarHBondContact O-N 2.94Å; Q1028-C1115 HydrophobicContact CG-CB 3.54Å; Q1028-E1116 VanDerWaalsContact NE2-CG 3.26Å; Q1028-Q1119 VanDerWaalsContact NE2-CD 3.31Å; Q1028-Q1119 VanDerWaalsContact NE2-OE1 3.12Å
1029G76.1Confident85.5Confident66 Ų6650 Ų5068%0.6831%0.307SS*.THydrogen-bonded Turntrans72-10.8-178.300000115.1S1031G1029-S1031 PolarHBondContact O-N 2.96Å
1030K83.1Confident86Confident83 Ų8353.2 Ų53.236%0.36132%0.322SS..  trans-61127.4171-66.1-165.8178.1-168.50110.4A1026 L1027 Q1028 F1032 D1044A1026-K1030 WeakPolarHBondContact O-CE 3.29Å; L1027-K1030 HydrophobicContact CD2-CD 4.38Å; Q1028-K1030 PolarHBondContact O-N 2.94Å; K1030-F1032 HydrophobicContact CB-CZ 4.43Å; K1030-D1044 WeakPolarHBondContact CD-OD2 3.32Å; K1030-D1044 VanDerWaalsContact NZ-CG 3.33Å; K1030-D1044 IonicContact NZ-OD1 3.72Å; K1030-D1044 PolarHBondContact NZ-OD1 3.45Å; K1030-D1044 IonicContact NZ-OD2 3.64Å; K1030-D1044 PolarHBondContact NZ-OD2 3.07Å
1031S86.6Confident86.4Confident100 Ų10053.1 Ų53.170%0.69932%0.321SS*.  trans-118.8141.717460.30000110.2G1029G1029-S1031 PolarHBondContact O-N 2.96Å
1032F91.1Very high86.6Confident17 Ų1753 Ų538%0.07532%0.32CS..  trans-104.3132.9-172.4-54.3-66.8000111K1030 N1040 A1041 D1044 L1104 V1107 S1108 F1111K1030-F1032 HydrophobicContact CB-CZ 4.43Å; F1032-N1040 HydrophobicContact CD1-CB 4.01Å; F1032-N1040 HydrophobicContact CE1-CB 4.25Å; F1032-A1041 HydrophobicContact CD1-CB 3.97Å; F1032-A1041 HydrophobicContact CD2-CB 3.8Å; F1032-A1041 HydrophobicContact CE1-CB 3.98Å; F1032-A1041 HydrophobicContact CE2-CB 3.8Å; F1032-A1041 HydrophobicContact CG-CB 3.89Å; F1032-A1041 HydrophobicContact CZ-CB 3.9Å; F1032-D1044 HydrophobicContact CZ-CB 4.41Å; F1032-L1104 HydrophobicContact CB-CB 4.46Å; F1032-L1104 HydrophobicContact CB-CD2 4.07Å; F1032-L1104 WeakPolarHBondContact O-CB 3.37Å; F1032-V1107 HydrophobicContact CD2-CG1 4.15Å; F1032-S1108 WeakPolarHBondContact CD2-OG 3.41Å; F1032-S1108 PolarHBondContact N-OG 3.06Å; F1032-F1111 HydrophobicContact CE2-CB 3.93Å; F1032-F1111 AromaticContact CE2-CD1 3.76Å; F1032-F1111 HydrophobicContact CE2-CD1 3.76Å; F1032-F1111 AromaticContact CE2-CG 3.98Å; F1032-F1111 HydrophobicContact CE2-CG 3.98Å; F1032-F1111 AromaticContact CZ-CD1 3.69Å; F1032-F1111 HydrophobicContact CZ-CD1 3.69Å; F1032-F1111 HydrophobicContact CZ-CE1 4.09Å; F1032-F1111 HydrophobicContact CZ-CG 4.22Å
1033S87.4Confident86.8Confident84 Ų8455.5 Ų55.559%0.58733%0.326SS*.  trans-135.8162.2-177.459.60000111.2G1037S1033-G1037 WeakPolarHBondContact O-CA 3.41Å; S1033-G1037 PolarHBondContact O-N 2.91Å
1034L86Confident87Confident74 Ų7455.1 Ų55.139%0.38733%0.327SS..THydrogen-bonded Turntrans-72.8149.2176.8-66.7172.6000110.7P1100 L1104L1034-P1100 HydrophobicContact CD1-CB 4.27Å; L1034-P1100 HydrophobicContact CD2-CB 4.15Å; L1034-L1104 HydrophobicContact CD2-CD1 3.69Å; L1034-L1104 HydrophobicContact CG-CD1 3.96Å
1035P79.6Confident87.1Confident97 Ų9755.2 Ų55.263%0.6333%0.327SS*.THydrogen-bonded Turncis-80-43.46.928.1-31000114.5G1037P1035-G1037 VanDerWaalsContact C-N 3.35Å; P1035-G1037 PolarHBondContact O-N 3.27Å
1036D84.8Confident87.3Confident92 Ų9253.6 Ų53.649%0.49232%0.322SS..THydrogen-bonded Turntrans-88.210.1-162-53.9-57.5000115.4F1038 L1039 N1040D1036-F1038 VanDerWaalsContact C-N 3.27Å; D1036-F1038 PolarHBondContact O-N 2.95Å; D1036-F1038 VanDerWaalsContact O-N 3.1Å; D1036-L1039 WeakPolarHBondContact O-CA 3.4Å; D1036-L1039 WeakPolarHBondContact O-CB 3.19Å; D1036-L1039 PolarHBondContact O-N 2.86Å; D1036-N1040 PolarHBondContact O-N 3.4Å
1037G87.6Confident87.4Confident0 Ų054.2 Ų54.20%031%0.314CS..Hα-helixtrans-55.6-32.5-171.700000115.6S1033 P1035 A1041 L1104S1033-G1037 WeakPolarHBondContact O-CA 3.41Å; S1033-G1037 PolarHBondContact O-N 2.91Å; P1035-G1037 VanDerWaalsContact C-N 3.35Å; P1035-G1037 PolarHBondContact O-N 3.27Å; G1037-A1041 VanDerWaalsContact O-CB 3.27Å; G1037-A1041 WeakPolarHBondContact O-CB 3.37Å; G1037-A1041 PolarHBondContact O-N 3.14Å; G1037-L1104 VanDerWaalsContact C-CD2 3.49Å
1038F87.8Confident87.6Confident13 Ų1353.8 Ų53.86%0.05731%0.312CS..Hα-helixtrans-72.5-36.8175.7-70.9-74.9000112.4D1036 Q1042 P1100 M1103 L1104 A1155 E1156 M1159D1036-F1038 VanDerWaalsContact C-N 3.27Å; D1036-F1038 PolarHBondContact O-N 2.95Å; D1036-F1038 VanDerWaalsContact O-N 3.1Å; F1038-Q1042 WeakPolarHBondContact O-CG 3.4Å; F1038-Q1042 PolarHBondContact O-N 2.98Å; F1038-Q1042 PolarHBondContact O-NE2 3.41Å; F1038-P1100 HydrophobicContact CE2-CB 4.31Å; F1038-M1103 HydrophobicContact CE1-CG 3.8Å; F1038-M1103 HydrophobicContact CZ-CB 4.04Å; F1038-M1103 HydrophobicContact CZ-CG 3.76Å; F1038-L1104 HydrophobicContact CB-CD2 4.44Å; F1038-L1104 HydrophobicContact CD1-CD2 3.64Å; F1038-L1104 HydrophobicContact CD2-CD1 4.24Å; F1038-L1104 HydrophobicContact CD2-CD2 3.75Å; F1038-L1104 HydrophobicContact CD2-CG 4.13Å; F1038-L1104 HydrophobicContact CE1-CD2 3.68Å; F1038-L1104 HydrophobicContact CE1-CG 4.18Å; F1038-L1104 HydrophobicContact CE2-CD1 4.03Å; F1038-L1104 HydrophobicContact CE2-CD2 3.78Å; F1038-L1104 HydrophobicContact CE2-CG 3.72Å; F1038-L1104 HydrophobicContact CG-CD2 3.68Å; F1038-L1104 HydrophobicContact CZ-CD2 3.74Å; F1038-L1104 HydrophobicContact CZ-CG 3.75Å; F1038-A1155 HydrophobicContact CE1-CB 4.25Å; F1038-E1156 HydrophobicContact CB-CB 4.02Å; F1038-E1156 HydrophobicContact CB-CG 3.88Å; F1038-E1156 HydrophobicContact CD1-CB 3.82Å; F1038-E1156 HydrophobicContact CD1-CG 4.47Å; F1038-E1156 HydrophobicContact CD2-CG 4.38Å; F1038-E1156 HydrophobicContact CE1-CB 4.44Å; F1038-E1156 HydrophobicContact CG-CB 3.87Å; F1038-E1156 HydrophobicContact CG-CG 4Å; F1038-M1159 HydrophobicContact CZ-CB 4.49Å; F1038-M1159 HydrophobicContact CZ-CG 4Å
1039L88.6Confident87.7Confident90 Ų9051.9 Ų51.947%0.47130%0.303SS..Hα-helixtrans-68.3-45.8174.7177.860.3000110.3D1036 A1041 Q1042 L1043D1036-L1039 WeakPolarHBondContact O-CA 3.4Å; D1036-L1039 WeakPolarHBondContact O-CB 3.19Å; D1036-L1039 PolarHBondContact O-N 2.86Å; L1039-A1041 PolarHBondContact O-N 3.1Å; L1039-Q1042 PolarHBondContact O-N 3.37Å; L1039-Q1042 VanDerWaalsContact O-N 3.14Å; L1039-L1043 HydrophobicContact CD1-CD1 4.45Å; L1039-L1043 HydrophobicContact CD1-CG 4.4Å; L1039-L1043 HydrophobicContact CG-CD1 4.21Å; L1039-L1043 WeakPolarHBondContact O-CG 3.34Å; L1039-L1043 PolarHBondContact O-N 3.13Å
1040N90.2Very high88.3Confident73 Ų7350.3 Ų50.339%0.3928%0.284SS..Hα-helixtrans-61.6-44.4177.2-67.4-19.2000111.6F1032 D1036 Q1042 L1043 D1044F1032-N1040 HydrophobicContact CD1-CB 4.01Å; F1032-N1040 HydrophobicContact CE1-CB 4.25Å; D1036-N1040 PolarHBondContact O-N 3.4Å; N1040-Q1042 VanDerWaalsContact C-N 3.29Å; N1040-Q1042 PolarHBondContact O-N 3.34Å; N1040-L1043 PolarHBondContact O-N 2.74Å; N1040-D1044 PolarHBondContact O-N 3.13Å
1041A90.7Very high88.5Confident1 Ų146.3 Ų46.31%0.00827%0.266CS..Hα-helixtrans-60.8-36.6173.800000112.8F1032 G1037 L1039 A1045 V1107 L1152F1032-A1041 HydrophobicContact CD1-CB 3.97Å; F1032-A1041 HydrophobicContact CD2-CB 3.8Å; F1032-A1041 HydrophobicContact CE1-CB 3.98Å; F1032-A1041 HydrophobicContact CE2-CB 3.8Å; F1032-A1041 HydrophobicContact CG-CB 3.89Å; F1032-A1041 HydrophobicContact CZ-CB 3.9Å; G1037-A1041 VanDerWaalsContact O-CB 3.27Å; G1037-A1041 WeakPolarHBondContact O-CB 3.37Å; G1037-A1041 PolarHBondContact O-N 3.14Å; L1039-A1041 PolarHBondContact O-N 3.1Å; A1041-A1045 VanDerWaalsContact O-CB 3.24Å; A1041-A1045 WeakPolarHBondContact O-CB 3.27Å; A1041-A1045 PolarHBondContact O-N 2.79Å; A1041-A1045 VanDerWaalsContact O-N 3.09Å; A1041-V1107 HydrophobicContact CB-CG1 3.96Å; A1041-L1152 HydrophobicContact CB-CD1 4.22Å; A1041-L1152 HydrophobicContact CB-CD2 4.27Å; A1041-L1152 WeakPolarHBondContact O-CD1 3.3Å
1042Q89.3Confident88.5Confident19 Ų1941.7 Ų41.79%0.08923%0.234CC..Hα-helixtrans-70.1-39.2174-78.617868.500112.3F1038 L1039 N1040 N1046 L1152 R1153 E1156F1038-Q1042 WeakPolarHBondContact O-CG 3.4Å; F1038-Q1042 PolarHBondContact O-N 2.98Å; F1038-Q1042 PolarHBondContact O-NE2 3.41Å; L1039-Q1042 PolarHBondContact O-N 3.37Å; L1039-Q1042 VanDerWaalsContact O-N 3.14Å; N1040-Q1042 VanDerWaalsContact C-N 3.29Å; N1040-Q1042 PolarHBondContact O-N 3.34Å; Q1042-N1046 PolarHBondContact O-N 3.35Å; Q1042-N1046 PolarHBondContact O-ND2 2.89Å; Q1042-L1152 HydrophobicContact CG-CB 3.95Å; Q1042-L1152 HydrophobicContact CG-CD1 4.09Å; Q1042-R1153 VanDerWaalsContact OE1-CG 3.23Å; Q1042-E1156 PolarHBondContact NE2-OE2 3.24Å
1043L90.2Very high88.2Confident102 Ų10246.4 Ų46.453%0.53425%0.251SS..Hα-helixtrans-64.8-49.5176.9-70.2171.4000111.1L1039 N1040 A1045 N1046 E1047L1039-L1043 HydrophobicContact CD1-CD1 4.45Å; L1039-L1043 HydrophobicContact CD1-CG 4.4Å; L1039-L1043 HydrophobicContact CG-CD1 4.21Å; L1039-L1043 WeakPolarHBondContact O-CG 3.34Å; L1039-L1043 PolarHBondContact O-N 3.13Å; N1040-L1043 PolarHBondContact O-N 2.74Å; L1043-A1045 VanDerWaalsContact C-N 3.31Å; L1043-A1045 PolarHBondContact O-N 3.09Å; L1043-N1046 PolarHBondContact O-N 3.05Å; L1043-E1047 PolarHBondContact O-N 3.14Å
1044D92.6Very high87.9Confident22 Ų2246.5 Ų46.512%0.11824%0.242CC..Hα-helixtrans-63.9-33.8178.3-76.8-39.6000112.7L1027 K1030 F1032 N1040 E1047 L1048 F1111L1027-D1044 HydrophobicContact CD2-CB 4.2Å; L1027-D1044 WeakPolarHBondContact CD2-OD1 3.49Å; K1030-D1044 WeakPolarHBondContact CD-OD2 3.32Å; K1030-D1044 VanDerWaalsContact NZ-CG 3.33Å; K1030-D1044 IonicContact NZ-OD1 3.72Å; K1030-D1044 PolarHBondContact NZ-OD1 3.45Å; K1030-D1044 IonicContact NZ-OD2 3.64Å; K1030-D1044 PolarHBondContact NZ-OD2 3.07Å; F1032-D1044 HydrophobicContact CZ-CB 4.41Å; N1040-D1044 PolarHBondContact O-N 3.13Å; D1044-E1047 PolarHBondContact O-N 3.44Å; D1044-L1048 PolarHBondContact O-N 3.23Å; D1044-F1111 HydrophobicContact CB-CE1 3.92Å; D1044-F1111 HydrophobicContact CB-CE2 4.42Å; D1044-F1111 HydrophobicContact CB-CZ 3.64Å
1045A91.3Very high87.5Confident1 Ų143 Ų431%0.00822%0.224CC..Hα-helixtrans-70.4-27.9172.100000113.5A1041 L1043 L1049 F1111 Y1148 T1149 L1152A1041-A1045 VanDerWaalsContact O-CB 3.24Å; A1041-A1045 WeakPolarHBondContact O-CB 3.27Å; A1041-A1045 PolarHBondContact O-N 2.79Å; A1041-A1045 VanDerWaalsContact O-N 3.09Å; L1043-A1045 VanDerWaalsContact C-N 3.31Å; L1043-A1045 PolarHBondContact O-N 3.09Å; A1045-L1049 WeakPolarHBondContact O-CG 3.27Å; A1045-L1049 PolarHBondContact O-N 3.25Å; A1045-F1111 HydrophobicContact CB-CE2 4.18Å; A1045-Y1148 HydrophobicContact CB-CD1 4.41Å; A1045-T1149 HydrophobicContact CB-CG2 3.91Å; A1045-L1152 HydrophobicContact CB-CD1 3.89Å
1046N90Very high86.9Confident77 Ų7739.4 Ų39.441%0.41220%0.203SC..Hα-helixtrans-76.7-34.3172-81.6-80.5000112.1Q1042 L1043 L1049 A1050Q1042-N1046 PolarHBondContact O-N 3.35Å; Q1042-N1046 PolarHBondContact O-ND2 2.89Å; L1043-N1046 PolarHBondContact O-N 3.05Å; N1046-L1049 WeakPolarHBondContact O-CB 3.21Å; N1046-L1049 PolarHBondContact O-N 3.31Å; N1046-A1050 PolarHBondContact O-N 2.99Å
1047E90.9Very high86Confident74 Ų7441.5 Ų41.535%0.34621%0.214SC..Hα-helixtrans-65-41.3171.7179.559.5-169.600111.1R1023 L1027 L1043 D1044 L1049 A1050 I1051R1023-E1047 IonicContact CZ-OE1 2.81Å; R1023-E1047 IonicContact NE-OE1 3.5Å; R1023-E1047 PolarHBondContact NE-OE1 2.87Å; R1023-E1047 IonicContact NH2-OE1 2.68Å; R1023-E1047 PolarHBondContact NH2-OE1 3.09Å; L1027-E1047 HydrophobicContact CD1-CB 4.42Å; L1027-E1047 HydrophobicContact CD1-CG 4.16Å; L1027-E1047 HydrophobicContact CD2-CG 4.37Å; L1043-E1047 PolarHBondContact O-N 3.14Å; D1044-E1047 PolarHBondContact O-N 3.44Å; E1047-L1049 VanDerWaalsContact C-N 3.27Å; E1047-L1049 PolarHBondContact O-N 3.17Å; E1047-A1050 WeakPolarHBondContact O-CA 3.41Å; E1047-A1050 WeakPolarHBondContact O-CB 3.36Å; E1047-A1050 PolarHBondContact O-N 3.44Å; E1047-I1051 HydrophobicContact CG-CD1 4.42Å; E1047-I1051 WeakPolarHBondContact O-CG1 3.23Å; E1047-I1051 PolarHBondContact O-N 3Å
1048L90.4Very high84.8Confident0 Ų042.5 Ų42.50%022%0.22CC..Hα-helixtrans-59.1-37.5172.5-169.164.1000112.6V1024 L1027 D1044 L1052 F1111 L1114 T1118V1024-L1048 HydrophobicContact CB-CD1 4.4Å; V1024-L1048 HydrophobicContact CG1-CD1 3.79Å; V1024-L1048 HydrophobicContact CG2-CD1 3.81Å; L1027-L1048 HydrophobicContact CD1-CB 4.02Å; L1027-L1048 HydrophobicContact CD1-CD1 4.12Å; D1044-L1048 PolarHBondContact O-N 3.23Å; L1048-L1052 WeakPolarHBondContact O-CG 3.29Å; L1048-L1052 PolarHBondContact O-N 3.13Å; L1048-F1111 HydrophobicContact CD2-CE2 4.19Å; L1048-L1114 HydrophobicContact CD2-CD2 3.9Å; L1048-L1114 HydrophobicContact CD2-CG 3.74Å; L1048-T1118 HydrophobicContact CD1-CG2 3.79Å; L1048-T1118 HydrophobicContact CG-CG2 4.46Å
1049L88.5Confident83.2Confident5 Ų547.4 Ų47.43%0.02625%0.254CS..Hα-helixtrans-67.9-34.3172.3-79.6167.6000112.9A1045 N1046 E1047 R1053 E1142 A1145 I1146 T1149A1045-L1049 WeakPolarHBondContact O-CG 3.27Å; A1045-L1049 PolarHBondContact O-N 3.25Å; N1046-L1049 WeakPolarHBondContact O-CB 3.21Å; N1046-L1049 PolarHBondContact O-N 3.31Å; E1047-L1049 VanDerWaalsContact C-N 3.27Å; E1047-L1049 PolarHBondContact O-N 3.17Å; L1049-R1053 VanDerWaalsContact O-CG 3.31Å; L1049-R1053 WeakPolarHBondContact O-CG 3.22Å; L1049-R1053 PolarHBondContact O-N 2.87Å; L1049-R1053 VanDerWaalsContact O-N 3.09Å; L1049-E1142 HydrophobicContact CD2-CG 3.88Å; L1049-A1145 HydrophobicContact CD2-CB 3.54Å; L1049-A1145 HydrophobicContact CG-CB 3.94Å; L1049-I1146 HydrophobicContact CD1-CG1 4.06Å; L1049-I1146 HydrophobicContact CD2-CG1 3.85Å; L1049-T1149 HydrophobicContact CD1-CG2 3.95Å
1050A87.4Confident81.7Confident32 Ų3248.6 Ų48.626%0.26426%0.257SS..Hα-helixtrans-65.9-44.6174.300000111.3N1046 E1047 R1053 Q1054N1046-A1050 PolarHBondContact O-N 2.99Å; E1047-A1050 WeakPolarHBondContact O-CA 3.41Å; E1047-A1050 WeakPolarHBondContact O-CB 3.36Å; E1047-A1050 PolarHBondContact O-N 3.44Å; A1050-R1053 PolarHBondContact O-N 2.64Å; A1050-Q1054 WeakPolarHBondContact O-CG 3.46Å; A1050-Q1054 PolarHBondContact O-N 3.05Å
1051I87.9Confident79.7Confident0 Ų048.5 Ų48.50%027%0.267CS..Hα-helixtrans-61-45.9175.7-59.8161000110.9R1023 V1024 L1027 E1047 R1053 Q1054 C1055 I1122R1023-I1051 HydrophobicContact CB-CD1 3.72Å; R1023-I1051 HydrophobicContact CB-CG1 4.24Å; V1024-I1051 HydrophobicContact CG2-CB 4.46Å; V1024-I1051 HydrophobicContact CG2-CD1 3.92Å; V1024-I1051 HydrophobicContact CG2-CG2 3.85Å; L1027-I1051 HydrophobicContact CD1-CD1 3.91Å; E1047-I1051 HydrophobicContact CG-CD1 4.42Å; E1047-I1051 WeakPolarHBondContact O-CG1 3.23Å; E1047-I1051 PolarHBondContact O-N 3Å; I1051-R1053 VanDerWaalsContact C-N 3.29Å; I1051-R1053 PolarHBondContact O-N 2.75Å; I1051-Q1054 PolarHBondContact O-N 3.2Å; I1051-C1055 PolarHBondContact O-N 3.46Å; I1051-C1055 PolarHBondContact O-SG 2.96Å; I1051-I1122 HydrophobicContact CG2-CD1 4.5Å
1052L85.4Confident77.6Confident3 Ų356.8 Ų56.82%0.01631%0.311CS..Hα-helixtrans-59.4-37.4176.6-82.6167000112.9L1048 A1056 T1118 F1121 V1141 A1145L1048-L1052 WeakPolarHBondContact O-CG 3.29Å; L1048-L1052 PolarHBondContact O-N 3.13Å; L1052-A1056 PolarHBondContact O-N 3.02Å; L1052-T1118 HydrophobicContact CD1-CG2 4.39Å; L1052-T1118 HydrophobicContact CD2-CG2 3.91Å; L1052-T1118 HydrophobicContact CG-CG2 4.04Å; L1052-F1121 HydrophobicContact CD2-CD1 4.09Å; L1052-F1121 HydrophobicContact CD2-CE1 4.15Å; L1052-V1141 HydrophobicContact CD1-CG1 3.97Å; L1052-V1141 HydrophobicContact CD2-CG1 3.88Å; L1052-A1145 HydrophobicContact CD1-CB 4.08Å
1053R85.2Confident75.7Confident116 Ų11659.3 Ų59.344%0.43834%0.342SS..Hα-helixtrans-71.5-38.6175.6-74170.1176.5150.76.2112.4L1049 A1050 I1051 C1055 A1056 E1142L1049-R1053 VanDerWaalsContact O-CG 3.31Å; L1049-R1053 WeakPolarHBondContact O-CG 3.22Å; L1049-R1053 PolarHBondContact O-N 2.87Å; L1049-R1053 VanDerWaalsContact O-N 3.09Å; A1050-R1053 PolarHBondContact O-N 2.64Å; I1051-R1053 VanDerWaalsContact C-N 3.29Å; I1051-R1053 PolarHBondContact O-N 2.75Å; R1053-C1055 VanDerWaalsContact C-N 3.33Å; R1053-A1056 WeakPolarHBondContact O-CB 3.38Å; R1053-A1056 PolarHBondContact O-N 3.22Å; R1053-A1056 VanDerWaalsContact O-N 3.14Å; R1053-E1142 IonicContact CZ-OE1 3.34Å; R1053-E1142 IonicContact NE-OE1 2.76Å; R1053-E1142 PolarHBondContact NE-OE1 3.47Å; R1053-E1142 IonicContact NH2-OE1 3.15Å; R1053-E1142 PolarHBondContact NH2-OE1 3.32Å
1054Q82.6Confident73.8Confident86 Ų8659.2 Ų59.240%0.40234%0.338SS..Hα-helixtrans-63.6-39.6173.8-72.4166.1-23.200111.1A1050 I1051 A1056 N1057 S1058A1050-Q1054 WeakPolarHBondContact O-CG 3.46Å; A1050-Q1054 PolarHBondContact O-N 3.05Å; I1051-Q1054 PolarHBondContact O-N 3.2Å; Q1054-A1056 PolarHBondContact O-N 3.06Å; Q1054-A1056 VanDerWaalsContact O-N 3.14Å; Q1054-N1057 PolarHBondContact O-N 3.26Å; Q1054-S1058 PolarHBondContact O-N 2.92Å
1055C75.9Confident71.8Confident0 Ų062.8 Ų62.80%037%0.371CS..Hα-helixtrans-61.5-18172.9-66.40000114.6L1017 I1051 R1053 R1134 L1138L1017-C1055 HydrophobicContact CD1-CB 4.16Å; I1051-C1055 PolarHBondContact O-N 3.46Å; I1051-C1055 PolarHBondContact O-SG 2.96Å; R1053-C1055 VanDerWaalsContact C-N 3.33Å; C1055-R1134 PolarHBondContact O-NH1 3.19Å; C1055-L1138 HydrophobicContact CB-CD2 4.06Å
1056A68.4Low70.1Confident22 Ų2272.7 Ų72.718%0.18241%0.409CS..Hα-helixtrans-80.5-36.5172.700000112.4L1052 R1053 Q1054 R1134 L1135 L1138L1052-A1056 PolarHBondContact O-N 3.02Å; R1053-A1056 WeakPolarHBondContact O-CB 3.38Å; R1053-A1056 PolarHBondContact O-N 3.22Å; R1053-A1056 VanDerWaalsContact O-N 3.14Å; Q1054-A1056 PolarHBondContact O-N 3.06Å; Q1054-A1056 VanDerWaalsContact O-N 3.14Å; A1056-R1134 PolarHBondContact O-NH1 3.17Å; A1056-R1134 PolarHBondContact O-NH2 2.85Å; A1056-R1134 VanDerWaalsContact O-NH2 3.17Å; A1056-L1135 HydrophobicContact CB-CD2 4.06Å; A1056-L1138 HydrophobicContact CB-CD1 3.92Å
1057N65.8Low68.7Low136 Ų13671.4 Ų71.473%0.72740%0.401SS*.Hα-helixtrans-88-13.7-170.9-65.5-10.5000114Q1054 P1059Q1054-N1057 PolarHBondContact O-N 3.26Å; N1057-P1059 WeakPolarHBondContact O-CD 3.36Å
1058S61.7Low67.5Low20 Ų2074.2 Ų74.214%0.1441%0.414CS..  trans-66.2122.8173.548.20000110.9Q1054 R1134Q1054-S1058 PolarHBondContact O-N 2.92Å; S1058-R1134 PolarHBondContact O-NH2 3.27Å
1059P55.1Low66Low117 Ų11778.5 Ų78.576%0.7645%0.445SS*.  trans-69.6143.816730.5-33.1000109N1057 A1061N1057-P1059 WeakPolarHBondContact O-CD 3.36Å; P1059-A1061 PolarHBondContact O-N 2.78Å; P1059-A1061 VanDerWaalsContact O-N 3.17Å
1060Q55.8Low65Low114 Ų11481.2 Ų81.253%0.53346%0.464SS..  trans-72.1110.2172.5-178.7160.528.100108.8D1062Q1060-D1062 PolarHBondContact O-N 2.97Å
1061A49.3Very low64.3Low72 Ų7286 Ų8660%0.59548%0.475SS*.  trans-61.6125.417100000109.2P1059 G1063 E1064P1059-A1061 PolarHBondContact O-N 2.78Å; P1059-A1061 VanDerWaalsContact O-N 3.17Å; A1061-G1063 PolarHBondContact O-N 2.99Å; A1061-E1064 PolarHBondContact O-N 3.48Å
1062D44.8Very low63.6Low175 Ų17587.3 Ų87.394%0.93648%0.482SS*.THydrogen-bonded Turntrans-78.528.2-162.5-147.35.2000114Q1060Q1060-D1062 PolarHBondContact O-N 2.97Å
1063G49.5Very low63.1Low72 Ų7291.1 Ų91.174%0.74251%0.506SS*.THydrogen-bonded Turntrans-133-7.6-176.600000115.8A1061 A1065A1061-G1063 PolarHBondContact O-N 2.99Å; G1063-A1065 PolarHBondContact O-N 3.48Å
1064E50.3Low62.9Low99 Ų9990.6 Ų90.646%0.46351%0.508SS..SBendtrans-65.4134.9177.2-88.9-167.7-162.500112.2A1061 R1066 R1126A1061-E1064 PolarHBondContact O-N 3.48Å; E1064-R1066 PolarHBondContact O-N 3.04Å; E1064-R1126 VanDerWaalsContact CD-NH2 3.33Å; E1064-R1126 IonicContact OE1-CZ 2.63Å; E1064-R1126 IonicContact OE1-NE 2.96Å; E1064-R1126 IonicContact OE1-NH2 3.72Å; E1064-R1126 PolarHBondContact OE1-NH2 2.82Å; E1064-R1126 IonicContact OE2-CZ 3.81Å; E1064-R1126 IonicContact OE2-NE 2.79Å; E1064-R1126 PolarHBondContact OE2-NE 2.9Å; E1064-R1126 IonicContact OE2-NH2 3.71Å; E1064-R1126 PolarHBondContact OE2-NH2 3.5Å
1065A50.7Low62.7Low98 Ų9889.2 Ų89.281%0.8150%0.499SS*.PPolyproline II helixtrans-61120.1-177.800000112G1063 L1067G1063-A1065 PolarHBondContact O-N 3.48Å; A1065-L1067 PolarHBondContact O-N 2.9Å
1066R55.5Low62.8Low209 Ų20994.7 Ų94.779%0.78952%0.523SS*.PPolyproline II helixtrans-57.2120.2-171.9-65.6175.3179.2158.72.2112.4E1064 Q1068E1064-R1066 PolarHBondContact O-N 3.04Å; R1066-Q1068 PolarHBondContact O-N 3.41Å
1067L62.4Low63.3Low50 Ų50100.5 Ų100.526%0.26255%0.547SS..PPolyproline II helixtrans-57129.6172.2-84.3169000111.6A1065 I1072 R1126A1065-L1067 PolarHBondContact O-N 2.9Å; L1067-I1072 HydrophobicContact CB-CD1 4.5Å; L1067-I1072 HydrophobicContact CB-CG1 4.43Å; L1067-R1126 HydrophobicContact CD1-CB 3.67Å
1068Q64.3Low64.1Low132 Ų13296.8 Ų96.862%0.61753%0.525SS*.PPolyproline II helixtrans-63.1145.2-179.7-71.8-67.7-5.100112.3R1066 S1070 R1071 I1072R1066-Q1068 PolarHBondContact O-N 3.41Å; Q1068-S1070 PolarHBondContact O-N 3.22Å; Q1068-S1070 VanDerWaalsContact O-N 3.15Å; Q1068-R1071 PolarHBondContact O-N 2.91Å; Q1068-R1071 VanDerWaalsContact O-N 3.12Å; Q1068-I1072 PolarHBondContact O-N 3.48Å
1069S60.3Low65Low91 Ų9196.5 Ų96.564%0.63652%0.522SS*.Hα-helixtrans-59.2-31.4-174.3-169.20000113.6I1072 T1073S1069-I1072 PolarHBondContact O-N 3.41Å; S1069-T1073 PolarHBondContact O-N 2.9Å; S1069-T1073 PolarHBondContact O-OG1 3.11Å
1070S66.5Low66Low62 Ų6293.2 Ų93.243%0.43451%0.505SS..Hα-helixtrans-64.5-48.3176500000112.2Q1068 I1072 T1073 E1074Q1068-S1070 PolarHBondContact O-N 3.22Å; Q1068-S1070 VanDerWaalsContact O-N 3.15Å; S1070-I1072 PolarHBondContact O-N 2.88Å; S1070-T1073 WeakPolarHBondContact CA-OG1 3.34Å; S1070-T1073 CarbonylContact O-C 3.58Å; S1070-T1073 WeakPolarHBondContact O-CA 3.17Å; S1070-T1073 PolarHBondContact O-N 3.42Å; S1070-T1073 PolarHBondContact O-OG1 3.39Å; S1070-E1074 WeakPolarHBondContact CB-OE1 3.39Å; S1070-E1074 WeakPolarHBondContact O-CG 3.44Å; S1070-E1074 PolarHBondContact O-N 2.84Å
1071R72.4Confident67.4Low132 Ų13290.6 Ų90.650%0.49850%0.496SS..Hα-helixtrans-59.1-34.6177.1-66.5-174-179.9175.80.9112.3Q1068 E1074 Y1075Q1068-R1071 PolarHBondContact O-N 2.91Å; Q1068-R1071 VanDerWaalsContact O-N 3.12Å; R1071-E1074 WeakPolarHBondContact CA-OE2 3.27Å; R1071-E1074 PolarHBondContact O-N 2.86Å; R1071-Y1075 HydrophobicContact CB-CE2 4.23Å; R1071-Y1075 WeakPolarHBondContact O-CD2 3.48Å; R1071-Y1075 PolarHBondContact O-N 3.29Å
1072I73.9Confident69Low27 Ų2789.7 Ų89.714%0.13848%0.477CS..Hα-helixtrans-67.3-36175.4-62.3167000111.4L1067 Q1068 S1069 S1070 K1076 L1124 G1127L1067-I1072 HydrophobicContact CB-CD1 4.5Å; L1067-I1072 HydrophobicContact CB-CG1 4.43Å; Q1068-I1072 PolarHBondContact O-N 3.48Å; S1069-I1072 PolarHBondContact O-N 3.41Å; S1070-I1072 PolarHBondContact O-N 2.88Å; I1072-K1076 HydrophobicContact CG2-CD 4.42Å; I1072-K1076 WeakPolarHBondContact O-CD 3.18Å; I1072-K1076 VanDerWaalsContact O-CG 3.23Å; I1072-K1076 WeakPolarHBondContact O-CG 3.02Å; I1072-K1076 PolarHBondContact O-N 3.15Å; I1072-L1124 HydrophobicContact CG2-CD1 4.04Å; I1072-G1127 WeakPolarHBondContact CD1-O 3.44Å
1073T75.3Confident70.7Confident84 Ų8483 Ų8352%0.51544%0.44SS..Hα-helixtrans-73.5-36.9172.138.70000112.9S1069 S1070 K1076 Q1077S1069-T1073 PolarHBondContact O-N 2.9Å; S1069-T1073 PolarHBondContact O-OG1 3.11Å; S1070-T1073 WeakPolarHBondContact CA-OG1 3.34Å; S1070-T1073 CarbonylContact O-C 3.58Å; S1070-T1073 WeakPolarHBondContact O-CA 3.17Å; S1070-T1073 PolarHBondContact O-N 3.42Å; S1070-T1073 PolarHBondContact O-OG1 3.39Å; T1073-K1076 PolarHBondContact O-N 2.73Å; T1073-Q1077 PolarHBondContact O-N 2.93Å
1074E81Confident72.2Confident105 Ų10586.3 Ų86.349%0.49143%0.434SS..Hα-helixtrans-61.1-51.4174.3-69151-150.600111S1070 R1071 K1076 Q1077 E1078S1070-E1074 WeakPolarHBondContact CB-OE1 3.39Å; S1070-E1074 WeakPolarHBondContact O-CG 3.44Å; S1070-E1074 PolarHBondContact O-N 2.84Å; R1071-E1074 WeakPolarHBondContact CA-OE2 3.27Å; R1071-E1074 PolarHBondContact O-N 2.86Å; E1074-K1076 VanDerWaalsContact C-N 3.3Å; E1074-K1076 PolarHBondContact O-N 2.99Å; E1074-Q1077 CarbonylContact O-C 3.52Å; E1074-Q1077 WeakPolarHBondContact O-CA 3.44Å; E1074-Q1077 WeakPolarHBondContact O-CB 3.48Å; E1074-Q1077 PolarHBondContact O-N 2.98Å; E1074-E1078 PolarHBondContact O-N 2.91Å
1075Y78.3Confident73.9Confident56 Ų5685.5 Ų85.522%0.2243%0.43CS..Hα-helixtrans-64.4-30.6177-64.2-42.4000113.2R1071 Q1077 L1079 K1123R1071-Y1075 HydrophobicContact CB-CE2 4.23Å; R1071-Y1075 WeakPolarHBondContact O-CD2 3.48Å; R1071-Y1075 PolarHBondContact O-N 3.29Å; Y1075-Q1077 VanDerWaalsContact C-N 3.34Å; Y1075-L1079 WeakPolarHBondContact O-CB 3.38Å; Y1075-L1079 PolarHBondContact O-N 3.41Å; Y1075-K1123 HydrophobicContact CD2-CB 4.4Å; Y1075-K1123 HydrophobicContact CE1-CB 4.38Å; Y1075-K1123 HydrophobicContact CE2-CB 4.22Å
1076K77Confident75.6Confident115 Ų11581 Ų8150%0.539%0.392SS..Hα-helixtrans-65.7-37.1171.1-77.2168.5-175.4175.30112.1I1072 T1073 E1074 A1080 L1124I1072-K1076 HydrophobicContact CG2-CD 4.42Å; I1072-K1076 WeakPolarHBondContact O-CD 3.18Å; I1072-K1076 VanDerWaalsContact O-CG 3.23Å; I1072-K1076 WeakPolarHBondContact O-CG 3.02Å; I1072-K1076 PolarHBondContact O-N 3.15Å; T1073-K1076 PolarHBondContact O-N 2.73Å; E1074-K1076 VanDerWaalsContact C-N 3.3Å; E1074-K1076 PolarHBondContact O-N 2.99Å; K1076-A1080 WeakPolarHBondContact O-CB 3.42Å; K1076-A1080 PolarHBondContact O-N 2.65Å; K1076-L1124 HydrophobicContact CG-CD1 3.81Å; K1076-L1124 HydrophobicContact CG-CD2 3.9Å
1077Q78.7Confident76.7Confident144 Ų14472.6 Ų72.667%0.67336%0.361SS*.Hα-helixtrans-73.4-44176.2-177.7170.8-19.400111.6T1073 E1074 Y1075 A1080 V1081T1073-Q1077 PolarHBondContact O-N 2.93Å; E1074-Q1077 CarbonylContact O-C 3.52Å; E1074-Q1077 WeakPolarHBondContact O-CA 3.44Å; E1074-Q1077 WeakPolarHBondContact O-CB 3.48Å; E1074-Q1077 PolarHBondContact O-N 2.98Å; Y1075-Q1077 VanDerWaalsContact C-N 3.34Å; Q1077-A1080 PolarHBondContact O-N 3.34Å; Q1077-V1081 WeakPolarHBondContact O-CG2 3.35Å; Q1077-V1081 PolarHBondContact O-N 3.12Å
1078E82.2Confident77.7Confident59 Ų5972 Ų7228%0.27636%0.363SS..Hα-helixtrans-59.6-46174.4-169.3-169-164.300110.8E1074 A1080 V1081 R1082 T1120E1074-E1078 PolarHBondContact O-N 2.91Å; E1078-A1080 VanDerWaalsContact C-N 3.27Å; E1078-A1080 PolarHBondContact O-N 3.15Å; E1078-V1081 CarbonylContact O-C 3.5Å; E1078-V1081 WeakPolarHBondContact O-CA 3.45Å; E1078-V1081 WeakPolarHBondContact O-CB 3.33Å; E1078-V1081 PolarHBondContact O-N 3.4Å; E1078-R1082 HydrophobicContact CG-CG 4.44Å; E1078-R1082 WeakPolarHBondContact O-CG 3.4Å; E1078-R1082 PolarHBondContact O-N 3.33Å; E1078-R1082 IonicContact OE1-CZ 3.53Å; E1078-R1082 IonicContact OE1-NH1 2.87Å; E1078-R1082 PolarHBondContact OE1-NH1 3.36Å; E1078-R1082 IonicContact OE1-NH2 3.18Å; E1078-R1082 PolarHBondContact OE1-NH2 3.42Å; E1078-T1120 HydrophobicContact CB-CG2 3.87Å; E1078-T1120 HydrophobicContact CG-CG2 3.9Å; E1078-T1120 PolarHBondContact OE1-OG1 2.78Å; E1078-T1120 WeakPolarHBondContact OE2-CG2 3.16Å; E1078-T1120 PolarHBondContact OE2-OG1 3.5Å
1079L80.8Confident78.8Confident13 Ų1365.7 Ų65.77%0.06833%0.334CS..Hα-helixtrans-58.9-39.6175.8-170.571.6000111.5Y1075 V1081 F1083 L1117 T1120 F1121 L1124Y1075-L1079 WeakPolarHBondContact O-CB 3.38Å; Y1075-L1079 PolarHBondContact O-N 3.41Å; L1079-V1081 VanDerWaalsContact C-N 3.29Å; L1079-V1081 PolarHBondContact O-N 3.49Å; L1079-F1083 HydrophobicContact CD1-CD2 4.41Å; L1079-F1083 HydrophobicContact CD1-CE2 4.11Å; L1079-F1083 HydrophobicContact CD2-CE2 4.05Å; L1079-F1083 HydrophobicContact CG-CD2 3.89Å; L1079-F1083 HydrophobicContact CG-CE2 3.77Å; L1079-F1083 WeakPolarHBondContact O-CB 3.17Å; L1079-F1083 VanDerWaalsContact O-CD2 3.23Å; L1079-F1083 WeakPolarHBondContact O-CD2 3.26Å; L1079-F1083 PolarHBondContact O-N 2.96Å; L1079-L1117 HydrophobicContact CD1-CD1 3.71Å; L1079-L1117 HydrophobicContact CD1-CG 4.39Å; L1079-T1120 HydrophobicContact CB-CG2 3.94Å; L1079-T1120 HydrophobicContact CD1-CG2 4.27Å; L1079-F1121 HydrophobicContact CD1-CB 3.87Å; L1079-F1121 HydrophobicContact CD1-CD2 4.37Å; L1079-F1121 HydrophobicContact CD2-CD2 4.33Å; L1079-L1124 HydrophobicContact CD2-CD2 3.78Å
1080A77.5Confident79.9Confident49 Ų4961.8 Ų61.841%0.40531%0.306SS..Hα-helixtrans-72.1-18.4176.300000114K1076 Q1077 E1078 K1084K1076-A1080 WeakPolarHBondContact O-CB 3.42Å; K1076-A1080 PolarHBondContact O-N 2.65Å; Q1077-A1080 PolarHBondContact O-N 3.34Å; E1078-A1080 VanDerWaalsContact C-N 3.27Å; E1078-A1080 PolarHBondContact O-N 3.15Å; A1080-K1084 WeakPolarHBondContact O-CD 3.4Å; A1080-K1084 WeakPolarHBondContact O-CE 3.42Å; A1080-K1084 WeakPolarHBondContact O-CG 3.38Å
1081V83.9Confident80.6Confident59 Ų5964.5 Ų64.536%0.35831%0.307SS..Hα-helixtrans-82.2-52.3169.3171.90000109.8Q1077 E1078 L1079 F1083 K1084 E1085Q1077-V1081 WeakPolarHBondContact O-CG2 3.35Å; Q1077-V1081 PolarHBondContact O-N 3.12Å; E1078-V1081 CarbonylContact O-C 3.5Å; E1078-V1081 WeakPolarHBondContact O-CA 3.45Å; E1078-V1081 WeakPolarHBondContact O-CB 3.33Å; E1078-V1081 PolarHBondContact O-N 3.4Å; L1079-V1081 VanDerWaalsContact C-N 3.29Å; L1079-V1081 PolarHBondContact O-N 3.49Å; V1081-F1083 PolarHBondContact O-N 2.86Å; V1081-K1084 WeakPolarHBondContact O-CA 3.44Å; V1081-K1084 WeakPolarHBondContact O-CB 3.46Å; V1081-K1084 PolarHBondContact O-N 2.76Å; V1081-E1085 HydrophobicContact CG1-CG 4.45Å; V1081-E1085 WeakPolarHBondContact CG1-OE1 3.5Å; V1081-E1085 PolarHBondContact O-N 2.68Å
1082R83.9Confident81.1Confident52 Ų5263.3 Ų63.320%0.19630%0.302CS..Hα-helixtrans-56-36.7176.2-67.5-76.4164.349.418.3112.5E1078 K1084 E1085 F1086 E1116 L1117 T1120E1078-R1082 HydrophobicContact CG-CG 4.44Å; E1078-R1082 WeakPolarHBondContact O-CG 3.4Å; E1078-R1082 PolarHBondContact O-N 3.33Å; E1078-R1082 IonicContact OE1-CZ 3.53Å; E1078-R1082 IonicContact OE1-NH1 2.87Å; E1078-R1082 PolarHBondContact OE1-NH1 3.36Å; E1078-R1082 IonicContact OE1-NH2 3.18Å; E1078-R1082 PolarHBondContact OE1-NH2 3.42Å; R1082-K1084 PolarHBondContact O-N 2.74Å; R1082-E1085 WeakPolarHBondContact CA-OE2 3.29Å; R1082-E1085 IonicContact NE-OE2 2.73Å; R1082-E1085 PolarHBondContact O-N 3.49Å; R1082-F1086 VanDerWaalsContact O-CB 3.25Å; R1082-F1086 WeakPolarHBondContact O-CB 3.49Å; R1082-F1086 PolarHBondContact O-N 3.04Å; R1082-E1116 IonicContact NE-OE2 3.86Å; R1082-E1116 PolarHBondContact NE-OE2 3.08Å; R1082-L1117 HydrophobicContact CB-CB 4.33Å; R1082-L1117 HydrophobicContact CB-CD1 3.67Å; R1082-T1120 PolarHBondContact NH1-OG1 3.35Å
1083F80.4Confident81.6Confident36 Ų3662.2 Ų62.216%0.15830%0.297CS..Hα-helixtrans-63-37.2172-92.7-58000113.1L1079 V1081 R1087 L1117 V1141 V1144L1079-F1083 HydrophobicContact CD1-CD2 4.41Å; L1079-F1083 HydrophobicContact CD1-CE2 4.11Å; L1079-F1083 HydrophobicContact CD2-CE2 4.05Å; L1079-F1083 HydrophobicContact CG-CD2 3.89Å; L1079-F1083 HydrophobicContact CG-CE2 3.77Å; L1079-F1083 WeakPolarHBondContact O-CB 3.17Å; L1079-F1083 VanDerWaalsContact O-CD2 3.23Å; L1079-F1083 WeakPolarHBondContact O-CD2 3.26Å; L1079-F1083 PolarHBondContact O-N 2.96Å; V1081-F1083 PolarHBondContact O-N 2.86Å; F1083-R1087 WeakPolarHBondContact O-CB 3.35Å; F1083-R1087 WeakPolarHBondContact O-CD 3.41Å; F1083-R1087 WeakPolarHBondContact O-CG 3.29Å; F1083-R1087 PolarHBondContact O-N 2.87Å; F1083-R1087 VanDerWaalsContact O-N 3.13Å; F1083-L1117 HydrophobicContact CB-CD1 4.39Å; F1083-L1117 HydrophobicContact CD1-CD1 3.88Å; F1083-L1117 HydrophobicContact CD1-CD2 3.94Å; F1083-L1117 HydrophobicContact CD2-CD1 3.9Å; F1083-L1117 HydrophobicContact CE1-CD1 4.09Å; F1083-L1117 HydrophobicContact CE1-CD2 3.71Å; F1083-L1117 HydrophobicContact CE1-CG 4.44Å; F1083-L1117 HydrophobicContact CE2-CD1 4.11Å; F1083-L1117 HydrophobicContact CG-CD1 3.77Å; F1083-L1117 HydrophobicContact CZ-CD1 4.2Å; F1083-L1117 HydrophobicContact CZ-CD2 4.26Å; F1083-V1141 HydrophobicContact CZ-CG2 4.01Å; F1083-V1144 HydrophobicContact CE1-CG1 4.37Å; F1083-V1144 HydrophobicContact CE1-CG2 4.06Å
1084K81.7Confident81.7Confident140 Ų14058.3 Ų58.361%0.60927%0.273SS*.Hα-helixtrans-69.4-39.5175.9-65.6165-173171.80111A1080 V1081 R1082 A1088A1080-K1084 WeakPolarHBondContact O-CD 3.4Å; A1080-K1084 WeakPolarHBondContact O-CE 3.42Å; A1080-K1084 WeakPolarHBondContact O-CG 3.38Å; V1081-K1084 WeakPolarHBondContact O-CA 3.44Å; V1081-K1084 WeakPolarHBondContact O-CB 3.46Å; V1081-K1084 PolarHBondContact O-N 2.76Å; R1082-K1084 PolarHBondContact O-N 2.74Å; K1084-A1088 WeakPolarHBondContact O-CB 3.33Å; K1084-A1088 PolarHBondContact O-N 2.92Å
1085E85.9Confident81.4Confident83 Ų8356.8 Ų56.839%0.38827%0.274SS..Hα-helixtrans-68.6-45.8178.8-67.9163.616100111.7V1081 R1082 R1087 A1088 S1089 V1113V1081-E1085 HydrophobicContact CG1-CG 4.45Å; V1081-E1085 WeakPolarHBondContact CG1-OE1 3.5Å; V1081-E1085 PolarHBondContact O-N 2.68Å; R1082-E1085 WeakPolarHBondContact CA-OE2 3.29Å; R1082-E1085 IonicContact NE-OE2 2.73Å; R1082-E1085 PolarHBondContact O-N 3.49Å; E1085-R1087 PolarHBondContact O-N 3.12Å; E1085-A1088 CarbonylContact O-C 3.58Å; E1085-A1088 WeakPolarHBondContact O-CB 3.45Å; E1085-A1088 PolarHBondContact O-N 2.98Å; E1085-A1088 VanDerWaalsContact O-N 3.13Å; E1085-S1089 PolarHBondContact O-N 3.33Å; E1085-V1113 HydrophobicContact CB-CG1 3.99Å
1086F85.8Confident81.4Confident2 Ų254.6 Ų54.61%0.00927%0.267CS..Hα-helixtrans-58.2-47.4174.7174.8-112000111.2F688 R1082 A1088 S1089 C1090 V1113 L1114 L1117 V1144 Y1148F688-F1086 HydrophobicContact CE1-CE1 4.31Å; F688-F1086 HydrophobicContact CZ-CE1 4.24Å; R1082-F1086 VanDerWaalsContact O-CB 3.25Å; R1082-F1086 WeakPolarHBondContact O-CB 3.49Å; R1082-F1086 PolarHBondContact O-N 3.04Å; F1086-A1088 VanDerWaalsContact C-N 3.34Å; F1086-A1088 PolarHBondContact O-N 3.21Å; F1086-S1089 WeakPolarHBondContact O-CB 3.5Å; F1086-S1089 PolarHBondContact O-N 3.33Å; F1086-S1089 VanDerWaalsContact O-N 3.14Å; F1086-C1090 WeakPolarHBondContact CZ-SG 3.31Å; F1086-C1090 PolarHBondContact O-N 2.92Å; F1086-C1090 PolarHBondContact O-SG 3.21Å; F1086-V1113 HydrophobicContact CB-CG1 3.93Å; F1086-L1114 HydrophobicContact CD2-CB 4.01Å; F1086-L1114 HydrophobicContact CD2-CD1 4.3Å; F1086-L1114 HydrophobicContact CE2-CB 3.75Å; F1086-L1114 HydrophobicContact CE2-CD1 3.85Å; F1086-L1114 HydrophobicContact CE2-CD2 4.41Å; F1086-L1114 HydrophobicContact CE2-CG 4.2Å; F1086-L1114 HydrophobicContact CZ-CD1 3.97Å; F1086-L1117 HydrophobicContact CB-CD2 4.43Å; F1086-L1117 HydrophobicContact CD1-CD2 4.26Å; F1086-L1117 HydrophobicContact CG-CD2 4.28Å; F1086-V1144 HydrophobicContact CD1-CG1 4.31Å; F1086-V1144 HydrophobicContact CE1-CG1 3.69Å; F1086-V1144 HydrophobicContact CZ-CG1 4.28Å; F1086-Y1148 AromaticContact CE2-CD2 3.72Å; F1086-Y1148 HydrophobicContact CE2-CD2 3.72Å; F1086-Y1148 AromaticContact CE2-CE2 4Å; F1086-Y1148 HydrophobicContact CE2-CE2 4Å; F1086-Y1148 HydrophobicContact CE2-CG 4.4Å; F1086-Y1148 AromaticContact CZ-CD2 3.65Å; F1086-Y1148 HydrophobicContact CZ-CD2 3.65Å; F1086-Y1148 HydrophobicContact CZ-CE2 4.37Å; F1086-Y1148 HydrophobicContact CZ-CG 4.21Å
1087R79.3Confident80.8Confident33 Ų3353.1 Ų53.113%0.12526%0.262CS..Hα-helixtrans-58.5-44.8173.9-70.6166.9-177176.91.9111.6L689 L692 L693 F1083 E1085 S1089 C1090 R1091L689-R1087 HydrophobicContact CD2-CB 3.79Å; L689-R1087 VanDerWaalsContact CD2-CD 3.44Å; L689-R1087 HydrophobicContact CD2-CG 3.38Å; L692-R1087 VanDerWaalsContact CB-NH2 3.35Å; L692-R1087 PolarHBondContact O-NH2 2.9Å; L693-R1087 VanDerWaalsContact CD2-NH1 3.29Å; L693-R1087 VanDerWaalsContact CG-NH1 3.3Å; F1083-R1087 WeakPolarHBondContact O-CB 3.35Å; F1083-R1087 WeakPolarHBondContact O-CD 3.41Å; F1083-R1087 WeakPolarHBondContact O-CG 3.29Å; F1083-R1087 PolarHBondContact O-N 2.87Å; F1083-R1087 VanDerWaalsContact O-N 3.13Å; E1085-R1087 PolarHBondContact O-N 3.12Å; R1087-S1089 VanDerWaalsContact C-N 3.31Å; R1087-S1089 PolarHBondContact O-N 3.4Å; R1087-C1090 PolarHBondContact O-N 2.84Å; R1087-R1091 WeakPolarHBondContact O-CG 3.2Å; R1087-R1091 PolarHBondContact O-N 3.46Å; R1087-R1091 VanDerWaalsContact O-N 3.08Å
1088A83Confident80.3Confident38 Ų3855.1 Ų55.131%0.31427%0.268SS..Hα-helixtrans-61.1-38.7175.900000112.1K1084 E1085 F1086 R1091 R1092K1084-A1088 WeakPolarHBondContact O-CB 3.33Å; K1084-A1088 PolarHBondContact O-N 2.92Å; E1085-A1088 CarbonylContact O-C 3.58Å; E1085-A1088 WeakPolarHBondContact O-CB 3.45Å; E1085-A1088 PolarHBondContact O-N 2.98Å; E1085-A1088 VanDerWaalsContact O-N 3.13Å; F1086-A1088 VanDerWaalsContact C-N 3.34Å; F1086-A1088 PolarHBondContact O-N 3.21Å; A1088-R1091 PolarHBondContact O-N 2.8Å; A1088-R1092 WeakPolarHBondContact O-CG 3.48Å; A1088-R1092 PolarHBondContact O-N 3.36Å
1089S86.9Confident80.3Confident0 Ų054.2 Ų54.20%027%0.268CS..Hα-helixtrans-65.9-41.9174.3-135.10000112.1E1085 F1086 R1087 R1091 R1092 V1093 D1109 S1110E1085-S1089 PolarHBondContact O-N 3.33Å; F1086-S1089 WeakPolarHBondContact O-CB 3.5Å; F1086-S1089 PolarHBondContact O-N 3.33Å; F1086-S1089 VanDerWaalsContact O-N 3.14Å; R1087-S1089 VanDerWaalsContact C-N 3.31Å; R1087-S1089 PolarHBondContact O-N 3.4Å; S1089-R1091 VanDerWaalsContact C-N 3.32Å; S1089-R1091 PolarHBondContact O-N 2.66Å; S1089-R1092 WeakPolarHBondContact O-CA 3.22Å; S1089-R1092 WeakPolarHBondContact O-CB 3.46Å; S1089-R1092 PolarHBondContact O-N 3.39Å; S1089-R1092 PolarHBondContact OG-NH2 2.89Å; S1089-V1093 PolarHBondContact O-N 2.95Å; S1089-V1093 VanDerWaalsContact O-N 3.1Å; S1089-D1109 PolarHBondContact OG-O 2.98Å; S1089-D1109 VanDerWaalsContact OG-O 3.05Å; S1089-S1110 VanDerWaalsContact OG-CA 3.27Å; S1089-S1110 WeakPolarHBondContact OG-CA 3.29Å; S1089-S1110 PolarHBondContact OG-N 3.07Å
1090C83.3Confident80.3Confident8 Ų855 Ų555%0.05427%0.274CS..Hα-helixtrans-59.2-39.9174-63.70000112.4F1086 R1087 R1092 V1093 A1094 L1151F1086-C1090 WeakPolarHBondContact CZ-SG 3.31Å; F1086-C1090 PolarHBondContact O-N 2.92Å; F1086-C1090 PolarHBondContact O-SG 3.21Å; R1087-C1090 PolarHBondContact O-N 2.84Å; C1090-R1092 VanDerWaalsContact C-N 3.27Å; C1090-R1092 PolarHBondContact O-N 3.24Å; C1090-V1093 WeakPolarHBondContact O-CB 3.44Å; C1090-V1093 PolarHBondContact O-N 3.39Å; C1090-A1094 PolarHBondContact O-N 2.86Å; C1090-L1151 HydrophobicContact CB-CD2 3.93Å
1091R80.4Confident80.7Confident119 Ų11956.9 Ų56.945%0.44928%0.28SS..Hα-helixtrans-63.9-33.6173.3-37.3-160.9-170.3-107.75112.5E685 L689 R1087 A1088 S1089 A1094 S1095E685-R1091 VanDerWaalsContact OE1-CD 3.29Å; E685-R1091 WeakPolarHBondContact OE1-CD 3.39Å; E685-R1091 VanDerWaalsContact OE1-CG 3.26Å; E685-R1091 WeakPolarHBondContact OE1-CG 3.47Å; E685-R1091 IonicContact OE1-CZ 3.2Å; E685-R1091 IonicContact OE1-NE 2.69Å; E685-R1091 IonicContact OE1-NH1 2.81Å; E685-R1091 PolarHBondContact OE1-NH1 3.08Å; L689-R1091 VanDerWaalsContact CD1-CZ 3.47Å; R1087-R1091 WeakPolarHBondContact O-CG 3.2Å; R1087-R1091 PolarHBondContact O-N 3.46Å; R1087-R1091 VanDerWaalsContact O-N 3.08Å; A1088-R1091 PolarHBondContact O-N 2.8Å; S1089-R1091 VanDerWaalsContact C-N 3.32Å; S1089-R1091 PolarHBondContact O-N 2.66Å; R1091-A1094 CarbonylContact O-C 3.52Å; R1091-A1094 PolarHBondContact O-N 3.27Å; R1091-S1095 WeakPolarHBondContact O-CB 3.06Å; R1091-S1095 PolarHBondContact O-N 3.2Å; R1091-S1095 VanDerWaalsContact O-N 3.1Å
1092R83.8Confident80.8Confident107 Ų10762.3 Ų62.340%0.40430%0.295SS..Hα-helixtrans-63.7-44.3175.8-68.2-173.5-69.7-107.78.3109.9A1088 S1089 C1090 A1094 S1095 V1096 V1106A1088-R1092 WeakPolarHBondContact O-CG 3.48Å; A1088-R1092 PolarHBondContact O-N 3.36Å; S1089-R1092 WeakPolarHBondContact O-CA 3.22Å; S1089-R1092 WeakPolarHBondContact O-CB 3.46Å; S1089-R1092 PolarHBondContact O-N 3.39Å; S1089-R1092 PolarHBondContact OG-NH2 2.89Å; C1090-R1092 VanDerWaalsContact C-N 3.27Å; C1090-R1092 PolarHBondContact O-N 3.24Å; R1092-A1094 VanDerWaalsContact C-N 3.35Å; R1092-A1094 PolarHBondContact O-N 3.45Å; R1092-S1095 WeakPolarHBondContact CA-OG 3.46Å; R1092-S1095 WeakPolarHBondContact O-CB 3.39Å; R1092-S1095 PolarHBondContact O-N 2.84Å; R1092-S1095 PolarHBondContact O-OG 3.38Å; R1092-V1096 PolarHBondContact O-N 3.24Å; R1092-V1106 VanDerWaalsContact C-CG1 3.46Å; R1092-V1106 HydrophobicContact CB-CG1 3.45Å; R1092-V1106 VanDerWaalsContact CB-CG1 3.45Å
1093V83.7Confident80.9Confident4 Ų460 Ų602%0.02429%0.286CS..Hα-helixtrans-55.3-50.6172.5-178.10000110.1S1089 C1090 S1095 V1096 M1103 V1106 V1107 S1110 L1151 A1155S1089-V1093 PolarHBondContact O-N 2.95Å; S1089-V1093 VanDerWaalsContact O-N 3.1Å; C1090-V1093 WeakPolarHBondContact O-CB 3.44Å; C1090-V1093 PolarHBondContact O-N 3.39Å; V1093-S1095 PolarHBondContact O-N 3.45Å; V1093-V1096 PolarHBondContact O-N 3.13Å; V1093-M1103 HydrophobicContact CG1-SD 3.78Å; V1093-V1106 HydrophobicContact CG2-CG1 3.94Å; V1093-V1107 HydrophobicContact CG1-CG2 4.14Å; V1093-V1107 HydrophobicContact CG2-CG2 4.22Å; V1093-S1110 WeakPolarHBondContact CG2-OG 3.33Å; V1093-L1151 HydrophobicContact CG1-CD1 4.46Å; V1093-L1151 HydrophobicContact CG1-CG 4.43Å; V1093-A1155 HydrophobicContact CG1-CB 4.05Å
1094A77.4Confident81.4Confident3 Ų358.2 Ų58.23%0.02528%0.278CS..THydrogen-bonded Turntrans-64.9-2.4176.700000115.9V681 R682 C1090 R1091 R1092V681-A1094 HydrophobicContact CG1-CB 3.67Å; R682-A1094 HydrophobicContact CG-CB 4.45Å; R682-A1094 PolarHBondContact NE-O 3.1Å; R682-A1094 PolarHBondContact NH2-O 2.98Å; C1090-A1094 PolarHBondContact O-N 2.86Å; R1091-A1094 CarbonylContact O-C 3.52Å; R1091-A1094 PolarHBondContact O-N 3.27Å; R1092-A1094 VanDerWaalsContact C-N 3.35Å; R1092-A1094 PolarHBondContact O-N 3.45Å
1095S75.8Confident81.8Confident73 Ų7353.9 Ų53.951%0.5127%0.268SS..THydrogen-bonded Turntrans-108.5-8.6178.479.40000114.3R1091 R1092 V1093 E1097R1091-S1095 WeakPolarHBondContact O-CB 3.06Å; R1091-S1095 PolarHBondContact O-N 3.2Å; R1091-S1095 VanDerWaalsContact O-N 3.1Å; R1092-S1095 WeakPolarHBondContact CA-OG 3.46Å; R1092-S1095 WeakPolarHBondContact O-CB 3.39Å; R1092-S1095 PolarHBondContact O-N 2.84Å; R1092-S1095 PolarHBondContact O-OG 3.38Å; V1093-S1095 PolarHBondContact O-N 3.45Å; S1095-E1097 PolarHBondContact O-N 3.04Å
1096V78.7Confident82Confident9 Ų950.8 Ų50.86%0.05526%0.255CS..  trans-87.6108.8177.6-178.50000110.3R1092 V1093 R1102 M1103 V1106R1092-V1096 PolarHBondContact O-N 3.24Å; V1093-V1096 PolarHBondContact O-N 3.13Å; V1096-R1102 HydrophobicContact CG1-CB 4.11Å; V1096-R1102 HydrophobicContact CG1-CG 4.08Å; V1096-R1102 HydrophobicContact CG2-CG 4.44Å; V1096-M1103 HydrophobicContact CB-CE 4.06Å; V1096-M1103 HydrophobicContact CB-SD 4.01Å; V1096-M1103 HydrophobicContact CG1-CB 4.17Å; V1096-M1103 HydrophobicContact CG1-CE 4.36Å; V1096-M1103 HydrophobicContact CG1-SD 4.45Å; V1096-M1103 WeakPolarHBondContact O-CE 3.49Å; V1096-V1106 HydrophobicContact CG2-CB 4.2Å; V1096-V1106 HydrophobicContact CG2-CG1 4.46Å; V1096-V1106 HydrophobicContact CG2-CG2 3.9Å
1097E63Low82.3Confident85 Ų8550.7 Ų50.740%0.39726%0.255SS..  trans-106.2-3.6-172.1-52.5-173.3155.200114.9L678 R682 S1095L678-E1097 HydrophobicContact CD1-CB 4.01Å; L678-E1097 HydrophobicContact CD1-CG 3.74Å; L678-E1097 HydrophobicContact CD2-CG 4.44Å; R682-E1097 IonicContact CZ-OE1 3.59Å; R682-E1097 IonicContact NH1-OE1 3.09Å; R682-E1097 PolarHBondContact NH1-OE1 3.15Å; R682-E1097 IonicContact NH2-OE1 2.67Å; R682-E1097 PolarHBondContact NH2-OE1 3.4Å; S1095-E1097 PolarHBondContact O-N 3.04Å
1098K68.8Low82.9Confident186 Ų18649.7 Ų49.781%0.80925%0.253SS*.SBendtrans-145.65.4-156.8-58.2-174.7-175.41730119.1
1099S81.6Confident83.2Confident39 Ų3952 Ų5227%0.27326%0.26SS..  trans-160.6125.6178.6166.40000111.4T1101 R1102 M1103 M1159S1099-T1101 PolarHBondContact O-N 2.92Å; S1099-T1101 PolarHBondContact OG-N 3.3Å; S1099-R1102 PolarHBondContact O-N 3.07Å; S1099-R1102 PolarHBondContact OG-N 3.42Å; S1099-M1103 PolarHBondContact O-N 3.07Å; S1099-M1159 VanDerWaalsContact C-SD 3.54Å
1100P82.3Confident83.5Confident31 Ų3152 Ų5220%0.20126%0.26CS..Hα-helixtrans-63.4-39.6177.2-18.529.5000112.1L1034 F1038 R1102 M1103 L1104 M1159L1034-P1100 HydrophobicContact CD1-CB 4.27Å; L1034-P1100 HydrophobicContact CD2-CB 4.15Å; F1038-P1100 HydrophobicContact CE2-CB 4.31Å; P1100-R1102 VanDerWaalsContact C-N 3.33Å; P1100-R1102 PolarHBondContact O-N 3.02Å; P1100-M1103 WeakPolarHBondContact O-CB 3.31Å; P1100-M1103 PolarHBondContact O-N 3.4Å; P1100-L1104 WeakPolarHBondContact O-CG 3.44Å; P1100-L1104 PolarHBondContact O-N 2.99Å; P1100-M1159 HydrophobicContact CB-CB 4.23Å; P1100-M1159 HydrophobicContact CB-CG 4.24Å; P1100-M1159 HydrophobicContact CB-SD 4.42Å; P1100-M1159 HydrophobicContact CG-CB 4.13Å; P1100-M1159 HydrophobicContact CG-CG 4.4Å; P1100-M1159 HydrophobicContact CG-SD 4.27Å
1101T85.8Confident84Confident87 Ų8751.6 Ų51.653%0.53426%0.257SS..Hα-helixtrans-60.4-41.2175.1-37.20000112S1099 A1105S1099-T1101 PolarHBondContact O-N 2.92Å; S1099-T1101 PolarHBondContact OG-N 3.3Å; T1101-A1105 PolarHBondContact O-N 3.31Å
1102R85.1Confident84.5Confident174 Ų17448.4 Ų48.466%0.65725%0.247SC*.Hα-helixtrans-72.8-31.8176.3-169.5173.8179.1165.51.3112.3V1096 S1099 P1100 V1106V1096-R1102 HydrophobicContact CG1-CB 4.11Å; V1096-R1102 HydrophobicContact CG1-CG 4.08Å; V1096-R1102 HydrophobicContact CG2-CG 4.44Å; S1099-R1102 PolarHBondContact O-N 3.07Å; S1099-R1102 PolarHBondContact OG-N 3.42Å; P1100-R1102 VanDerWaalsContact C-N 3.33Å; P1100-R1102 PolarHBondContact O-N 3.02Å; R1102-V1106 WeakPolarHBondContact O-CG2 3.24Å; R1102-V1106 PolarHBondContact O-N 3.24Å
1103M87.1Confident84.9Confident2 Ų244.2 Ų44.21%0.0123%0.233CC..Hα-helixtrans-64.3-48.5172.9-17568.582.900109.8F1038 V1093 V1096 S1099 P1100 A1105 V1106 V1107 A1155 M1159F1038-M1103 HydrophobicContact CE1-CG 3.8Å; F1038-M1103 HydrophobicContact CZ-CB 4.04Å; F1038-M1103 HydrophobicContact CZ-CG 3.76Å; V1093-M1103 HydrophobicContact CG1-SD 3.78Å; V1096-M1103 HydrophobicContact CB-CE 4.06Å; V1096-M1103 HydrophobicContact CB-SD 4.01Å; V1096-M1103 HydrophobicContact CG1-CB 4.17Å; V1096-M1103 HydrophobicContact CG1-CE 4.36Å; V1096-M1103 HydrophobicContact CG1-SD 4.45Å; V1096-M1103 WeakPolarHBondContact O-CE 3.49Å; S1099-M1103 PolarHBondContact O-N 3.07Å; P1100-M1103 WeakPolarHBondContact O-CB 3.31Å; P1100-M1103 PolarHBondContact O-N 3.4Å; M1103-A1105 PolarHBondContact O-N 3.13Å; M1103-V1106 PolarHBondContact O-N 3.07Å; M1103-V1107 HydrophobicContact CG-CG2 4.42Å; M1103-V1107 WeakPolarHBondContact O-CB 3.46Å; M1103-V1107 WeakPolarHBondContact O-CG2 3.3Å; M1103-V1107 PolarHBondContact O-N 2.88Å; M1103-A1155 HydrophobicContact CE-CB 4.45Å; M1103-A1155 HydrophobicContact CG-CB 4.12Å; M1103-A1155 HydrophobicContact SD-CB 3.99Å; M1103-M1159 HydrophobicContact CB-CG 4.06Å; M1103-M1159 HydrophobicContact CB-SD 3.98Å; M1103-M1159 HydrophobicContact CE-CE 3.63Å; M1103-M1159 HydrophobicContact CE-CG 4.26Å; M1103-M1159 HydrophobicContact CE-SD 4.1Å; M1103-M1159 HydrophobicContact CG-CG 4.11Å; M1103-M1159 HydrophobicContact CG-SD 4.47Å
1104L89.5Confident85.2Confident0 Ų044 Ų440%023%0.233CC..Hα-helixtrans-63.6-37.3178.6-72.9174.9000113.7F1032 L1034 G1037 F1038 P1100 V1107 S1108F1032-L1104 HydrophobicContact CB-CB 4.46Å; F1032-L1104 HydrophobicContact CB-CD2 4.07Å; F1032-L1104 WeakPolarHBondContact O-CB 3.37Å; L1034-L1104 HydrophobicContact CD2-CD1 3.69Å; L1034-L1104 HydrophobicContact CG-CD1 3.96Å; G1037-L1104 VanDerWaalsContact C-CD2 3.49Å; F1038-L1104 HydrophobicContact CB-CD2 4.44Å; F1038-L1104 HydrophobicContact CD1-CD2 3.64Å; F1038-L1104 HydrophobicContact CD2-CD1 4.24Å; F1038-L1104 HydrophobicContact CD2-CD2 3.75Å; F1038-L1104 HydrophobicContact CD2-CG 4.13Å; F1038-L1104 HydrophobicContact CE1-CD2 3.68Å; F1038-L1104 HydrophobicContact CE1-CG 4.18Å; F1038-L1104 HydrophobicContact CE2-CD1 4.03Å; F1038-L1104 HydrophobicContact CE2-CD2 3.78Å; F1038-L1104 HydrophobicContact CE2-CG 3.72Å; F1038-L1104 HydrophobicContact CG-CD2 3.68Å; F1038-L1104 HydrophobicContact CZ-CD2 3.74Å; F1038-L1104 HydrophobicContact CZ-CG 3.75Å; P1100-L1104 WeakPolarHBondContact O-CG 3.44Å; P1100-L1104 PolarHBondContact O-N 2.99Å; L1104-V1107 PolarHBondContact O-N 3.11Å; L1104-S1108 PolarHBondContact O-N 2.6Å; L1104-S1108 PolarHBondContact O-OG 2.68Å
1105A90.4Very high85.9Confident48 Ų4843.9 Ų43.940%0.39723%0.231SC..Hα-helixtrans-59-49.3171.700000111.4T1101 M1103 V1107 S1108 D1109T1101-A1105 PolarHBondContact O-N 3.31Å; M1103-A1105 PolarHBondContact O-N 3.13Å; A1105-V1107 VanDerWaalsContact C-N 3.34Å; A1105-V1107 PolarHBondContact O-N 3.29Å; A1105-S1108 VanDerWaalsContact O-CB 3.29Å; A1105-S1108 WeakPolarHBondContact O-CB 3.46Å; A1105-S1108 PolarHBondContact O-N 2.86Å; A1105-S1108 VanDerWaalsContact O-N 3.13Å; A1105-D1109 PolarHBondContact O-N 3.43Å
1106V90.3Very high86.6Confident18 Ų1842.9 Ų42.911%0.10922%0.218CC..Hα-helixtrans-72-27.4179.9178.10000112.5R1092 V1093 V1096 R1102 M1103 D1109 S1110R1092-V1106 VanDerWaalsContact C-CG1 3.46Å; R1092-V1106 HydrophobicContact CB-CG1 3.45Å; R1092-V1106 VanDerWaalsContact CB-CG1 3.45Å; V1093-V1106 HydrophobicContact CG2-CG1 3.94Å; V1096-V1106 HydrophobicContact CG2-CB 4.2Å; V1096-V1106 HydrophobicContact CG2-CG1 4.46Å; V1096-V1106 HydrophobicContact CG2-CG2 3.9Å; R1102-V1106 WeakPolarHBondContact O-CG2 3.24Å; R1102-V1106 PolarHBondContact O-N 3.24Å; M1103-V1106 PolarHBondContact O-N 3.07Å; V1106-D1109 WeakPolarHBondContact O-CB 3.5Å; V1106-D1109 PolarHBondContact O-N 3.2Å; V1106-S1110 PolarHBondContact O-N 3.11Å; V1106-S1110 PolarHBondContact O-OG 3.3Å
1107V91.3Very high87.1Confident1 Ų142.4 Ų42.41%0.00622%0.216CC..Hα-helixtrans-67.1-36.7168.9160.30000111.4F1032 A1041 V1093 M1103 L1104 A1105 S1110 F1111 Y1148 L1152F1032-V1107 HydrophobicContact CD2-CG1 4.15Å; A1041-V1107 HydrophobicContact CB-CG1 3.96Å; V1093-V1107 HydrophobicContact CG1-CG2 4.14Å; V1093-V1107 HydrophobicContact CG2-CG2 4.22Å; M1103-V1107 HydrophobicContact CG-CG2 4.42Å; M1103-V1107 WeakPolarHBondContact O-CB 3.46Å; M1103-V1107 WeakPolarHBondContact O-CG2 3.3Å; M1103-V1107 PolarHBondContact O-N 2.88Å; L1104-V1107 PolarHBondContact O-N 3.11Å; A1105-V1107 VanDerWaalsContact C-N 3.34Å; A1105-V1107 PolarHBondContact O-N 3.29Å; V1107-S1110 WeakPolarHBondContact CA-OG 3.38Å; V1107-S1110 PolarHBondContact O-N 2.8Å; V1107-S1110 PolarHBondContact O-OG 3.33Å; V1107-S1110 VanDerWaalsContact O-OG 3.09Å; V1107-F1111 WeakPolarHBondContact O-CB 3.47Å; V1107-F1111 PolarHBondContact O-N 2.94Å; V1107-Y1148 PolarHBondContact O-OH 2.77Å; V1107-Y1148 VanDerWaalsContact O-OH 3.09Å; V1107-L1152 HydrophobicContact CB-CD2 4.46Å; V1107-L1152 HydrophobicContact CG1-CD2 3.46Å; V1107-L1152 VanDerWaalsContact CG1-CD2 3.46Å; V1107-L1152 HydrophobicContact CG2-CD2 4.18Å
1108S92.4Very high88.3Confident12 Ų1238.4 Ų38.48%0.08420%0.197CC..Hα-helixtrans-64.1-47.2172.3-50.30000110.1F1032 L1104 A1105 S1110 F1111 Q1112F1032-S1108 WeakPolarHBondContact CD2-OG 3.41Å; F1032-S1108 PolarHBondContact N-OG 3.06Å; L1104-S1108 PolarHBondContact O-N 2.6Å; L1104-S1108 PolarHBondContact O-OG 2.68Å; A1105-S1108 VanDerWaalsContact O-CB 3.29Å; A1105-S1108 WeakPolarHBondContact O-CB 3.46Å; A1105-S1108 PolarHBondContact O-N 2.86Å; A1105-S1108 VanDerWaalsContact O-N 3.13Å; S1108-S1110 PolarHBondContact O-N 3.31Å; S1108-F1111 PolarHBondContact O-N 3.02Å; S1108-Q1112 PolarHBondContact O-N 3Å
1109D90.7Very high89.3Confident85 Ų8530.3 Ų30.346%0.45516%0.162SC..Hα-helixtrans-58.9-30.8174-63.2-24000113.2S1089 A1105 V1106 V1113S1089-D1109 PolarHBondContact OG-O 2.98Å; S1089-D1109 VanDerWaalsContact OG-O 3.05Å; A1105-D1109 PolarHBondContact O-N 3.43Å; V1106-D1109 WeakPolarHBondContact O-CB 3.5Å; V1106-D1109 PolarHBondContact O-N 3.2Å; D1109-V1113 WeakPolarHBondContact O-CG2 3.24Å
1110S92Very high89.5Confident0 Ų028.6 Ų28.60%015%0.15CC..Hα-helixtrans-85.5-28.5176.157.70000113.7S1089 V1093 V1106 V1107 S1108 L1114 Y1148S1089-S1110 VanDerWaalsContact OG-CA 3.27Å; S1089-S1110 WeakPolarHBondContact OG-CA 3.29Å; S1089-S1110 PolarHBondContact OG-N 3.07Å; V1093-S1110 WeakPolarHBondContact CG2-OG 3.33Å; V1106-S1110 PolarHBondContact O-N 3.11Å; V1106-S1110 PolarHBondContact O-OG 3.3Å; V1107-S1110 WeakPolarHBondContact CA-OG 3.38Å; V1107-S1110 PolarHBondContact O-N 2.8Å; V1107-S1110 PolarHBondContact O-OG 3.33Å; V1107-S1110 VanDerWaalsContact O-OG 3.09Å; S1108-S1110 PolarHBondContact O-N 3.31Å; S1110-L1114 PolarHBondContact O-N 2.83Å; S1110-L1114 VanDerWaalsContact O-N 3.11Å; S1110-Y1148 PolarHBondContact OG-OH 3.48Å
1111F93.3Very high89.7Confident1 Ų127.1 Ų27.10%0.00414%0.14CC..Hα-helixtrans-73.9-41.2176.2-174.5-113.6000112.1L1027 F1032 D1044 A1045 L1048 V1107 S1108 V1113 L1114 C1115 Y1148L1027-F1111 HydrophobicContact CB-CE1 4.3Å; L1027-F1111 HydrophobicContact CB-CZ 4.31Å; L1027-F1111 WeakPolarHBondContact O-CE1 3.13Å; F1032-F1111 HydrophobicContact CE2-CB 3.93Å; F1032-F1111 AromaticContact CE2-CD1 3.76Å; F1032-F1111 HydrophobicContact CE2-CD1 3.76Å; F1032-F1111 AromaticContact CE2-CG 3.98Å; F1032-F1111 HydrophobicContact CE2-CG 3.98Å; F1032-F1111 AromaticContact CZ-CD1 3.69Å; F1032-F1111 HydrophobicContact CZ-CD1 3.69Å; F1032-F1111 HydrophobicContact CZ-CE1 4.09Å; F1032-F1111 HydrophobicContact CZ-CG 4.22Å; D1044-F1111 HydrophobicContact CB-CE1 3.92Å; D1044-F1111 HydrophobicContact CB-CE2 4.42Å; D1044-F1111 HydrophobicContact CB-CZ 3.64Å; A1045-F1111 HydrophobicContact CB-CE2 4.18Å; L1048-F1111 HydrophobicContact CD2-CE2 4.19Å; V1107-F1111 WeakPolarHBondContact O-CB 3.47Å; V1107-F1111 PolarHBondContact O-N 2.94Å; S1108-F1111 PolarHBondContact O-N 3.02Å; F1111-V1113 VanDerWaalsContact C-N 3.32Å; F1111-V1113 PolarHBondContact O-N 2.7Å; F1111-L1114 HydrophobicContact CD2-CD2 4.46Å; F1111-L1114 WeakPolarHBondContact O-CB 3.5Å; F1111-L1114 PolarHBondContact O-N 3.31Å; F1111-L1114 VanDerWaalsContact O-N 3.09Å; F1111-C1115 VanDerWaalsContact CZ-SG 3.59Å; F1111-C1115 PolarHBondContact O-N 2.91Å; F1111-C1115 PolarHBondContact O-SG 3.19Å; F1111-C1115 VanDerWaalsContact O-SG 3.4Å; F1111-Y1148 HydrophobicContact CB-CE1 4.47Å; F1111-Y1148 AromaticContact CD2-CE1 3.97Å; F1111-Y1148 HydrophobicContact CD2-CE1 3.97Å; F1111-Y1148 PolarHBondContact N-OH 3.23Å; F1111-Y1148 VanDerWaalsContact N-OH 3.13Å
1112Q92.6Very high89.6Confident51 Ų5123 Ų2324%0.23812%0.115CC..Hα-helixtrans-54.7-48.7173.4174.958.430.600111.3S1108 L1114 C1115 E1116S1108-Q1112 PolarHBondContact O-N 3Å; Q1112-L1114 VanDerWaalsContact C-N 3.31Å; Q1112-L1114 PolarHBondContact O-N 2.98Å; Q1112-C1115 PolarHBondContact O-N 3.45Å; Q1112-C1115 VanDerWaalsContact O-N 3.16Å; Q1112-E1116 WeakPolarHBondContact CG-OE1 3.46Å; Q1112-E1116 PolarHBondContact NE2-OE1 3.41Å; Q1112-E1116 WeakPolarHBondContact O-CG 3.41Å; Q1112-E1116 PolarHBondContact O-N 3.49Å
1113V91.1Very high89.6Confident19 Ų1918.2 Ų18.212%0.11510%0.099CC..Hα-helixtrans-69.1-27.8178.9-176.40000112.2E1085 F1086 D1109 F1111 L1117E1085-V1113 HydrophobicContact CB-CG1 3.99Å; F1086-V1113 HydrophobicContact CB-CG1 3.93Å; D1109-V1113 WeakPolarHBondContact O-CG2 3.24Å; F1111-V1113 VanDerWaalsContact C-N 3.32Å; F1111-V1113 PolarHBondContact O-N 2.7Å; V1113-L1117 VanDerWaalsContact O-CB 3.25Å; V1113-L1117 WeakPolarHBondContact O-CB 3.43Å; V1113-L1117 PolarHBondContact O-N 3.29Å
1114L90.9Very high89.3Confident1 Ų118.3 Ų18.31%0.00510%0.099CC..Hα-helixtrans-68.5-39.1170.5-177.460000111.9L1048 F1086 S1110 F1111 Q1112 L1117 T1118 V1144 Y1148L1048-L1114 HydrophobicContact CD2-CD2 3.9Å; L1048-L1114 HydrophobicContact CD2-CG 3.74Å; F1086-L1114 HydrophobicContact CD2-CB 4.01Å; F1086-L1114 HydrophobicContact CD2-CD1 4.3Å; F1086-L1114 HydrophobicContact CE2-CB 3.75Å; F1086-L1114 HydrophobicContact CE2-CD1 3.85Å; F1086-L1114 HydrophobicContact CE2-CD2 4.41Å; F1086-L1114 HydrophobicContact CE2-CG 4.2Å; F1086-L1114 HydrophobicContact CZ-CD1 3.97Å; S1110-L1114 PolarHBondContact O-N 2.83Å; S1110-L1114 VanDerWaalsContact O-N 3.11Å; F1111-L1114 HydrophobicContact CD2-CD2 4.46Å; F1111-L1114 WeakPolarHBondContact O-CB 3.5Å; F1111-L1114 PolarHBondContact O-N 3.31Å; F1111-L1114 VanDerWaalsContact O-N 3.09Å; Q1112-L1114 VanDerWaalsContact C-N 3.31Å; Q1112-L1114 PolarHBondContact O-N 2.98Å; L1114-L1117 HydrophobicContact CD1-CD2 4.15Å; L1114-L1117 WeakPolarHBondContact O-CB 3.4Å; L1114-L1117 PolarHBondContact O-N 3.31Å; L1114-T1118 WeakPolarHBondContact O-CB 3.33Å; L1114-T1118 PolarHBondContact O-N 3.15Å; L1114-T1118 PolarHBondContact O-OG1 3.35Å; L1114-V1144 HydrophobicContact CD1-CG1 4.3Å; L1114-Y1148 HydrophobicContact CD2-CD1 3.38Å; L1114-Y1148 HydrophobicContact CD2-CD2 4.39Å; L1114-Y1148 HydrophobicContact CD2-CE1 3.9Å; L1114-Y1148 HydrophobicContact CD2-CG 3.65Å
1115C91.3Very high88.7Confident0 Ų018.5 Ų18.50%010%0.101CC..Hα-helixtrans-67.5-41.9175.1-65.50000111.5V1024 Q1028 F1111 Q1112 T1118 Q1119V1024-C1115 HydrophobicContact CG1-CB 3.95Å; Q1028-C1115 HydrophobicContact CG-CB 3.54Å; F1111-C1115 VanDerWaalsContact CZ-SG 3.59Å; F1111-C1115 PolarHBondContact O-N 2.91Å; F1111-C1115 PolarHBondContact O-SG 3.19Å; F1111-C1115 VanDerWaalsContact O-SG 3.4Å; Q1112-C1115 PolarHBondContact O-N 3.45Å; Q1112-C1115 VanDerWaalsContact O-N 3.16Å; C1115-T1118 PolarHBondContact O-N 2.78Å; C1115-Q1119 WeakPolarHBondContact O-CG 3.46Å; C1115-Q1119 PolarHBondContact O-N 3.14Å
1116E90.3Very high87.9Confident51 Ų5118.9 Ų18.924%0.2389%0.092CC..Hα-helixtrans-62.2-41.5172.9-69.6172.1-15700112.8Q1028 R1082 Q1112 T1118 Q1119 T1120Q1028-E1116 VanDerWaalsContact NE2-CG 3.26Å; R1082-E1116 IonicContact NE-OE2 3.86Å; R1082-E1116 PolarHBondContact NE-OE2 3.08Å; Q1112-E1116 WeakPolarHBondContact CG-OE1 3.46Å; Q1112-E1116 PolarHBondContact NE2-OE1 3.41Å; Q1112-E1116 WeakPolarHBondContact O-CG 3.41Å; Q1112-E1116 PolarHBondContact O-N 3.49Å; E1116-T1118 VanDerWaalsContact C-N 3.33Å; E1116-Q1119 PolarHBondContact O-N 2.92Å; E1116-T1120 PolarHBondContact O-N 3.23Å; E1116-T1120 VanDerWaalsContact O-N 3.09Å
1117L89.5Confident86.8Confident0 Ų018.4 Ų18.40%09%0.091CC..Hα-helixtrans-57.9-47.5172.5-179.874.8000110.4L1079 R1082 F1083 F1086 V1113 L1114 Q1119 F1121 V1144L1079-L1117 HydrophobicContact CD1-CD1 3.71Å; L1079-L1117 HydrophobicContact CD1-CG 4.39Å; R1082-L1117 HydrophobicContact CB-CB 4.33Å; R1082-L1117 HydrophobicContact CB-CD1 3.67Å; F1083-L1117 HydrophobicContact CB-CD1 4.39Å; F1083-L1117 HydrophobicContact CD1-CD1 3.88Å; F1083-L1117 HydrophobicContact CD1-CD2 3.94Å; F1083-L1117 HydrophobicContact CD2-CD1 3.9Å; F1083-L1117 HydrophobicContact CE1-CD1 4.09Å; F1083-L1117 HydrophobicContact CE1-CD2 3.71Å; F1083-L1117 HydrophobicContact CE1-CG 4.44Å; F1083-L1117 HydrophobicContact CE2-CD1 4.11Å; F1083-L1117 HydrophobicContact CG-CD1 3.77Å; F1083-L1117 HydrophobicContact CZ-CD1 4.2Å; F1083-L1117 HydrophobicContact CZ-CD2 4.26Å; F1086-L1117 HydrophobicContact CB-CD2 4.43Å; F1086-L1117 HydrophobicContact CD1-CD2 4.26Å; F1086-L1117 HydrophobicContact CG-CD2 4.28Å; V1113-L1117 VanDerWaalsContact O-CB 3.25Å; V1113-L1117 WeakPolarHBondContact O-CB 3.43Å; V1113-L1117 PolarHBondContact O-N 3.29Å; L1114-L1117 HydrophobicContact CD1-CD2 4.15Å; L1114-L1117 WeakPolarHBondContact O-CB 3.4Å; L1114-L1117 PolarHBondContact O-N 3.31Å; L1117-Q1119 PolarHBondContact O-N 2.85Å; L1117-F1121 WeakPolarHBondContact O-CB 3.29Å; L1117-F1121 PolarHBondContact O-N 2.92Å; L1117-V1144 HydrophobicContact CD2-CG1 4.25Å
1118T88.8Confident85.9Confident0 Ų019.2 Ų19.20%010%0.095CC..Hα-helixtrans-65.2-34.6179-62.90000112.7V1024 L1048 L1052 L1114 C1115 E1116 F1121 I1122V1024-T1118 HydrophobicContact CG1-CG2 4.31Å; V1024-T1118 HydrophobicContact CG2-CG2 4.11Å; L1048-T1118 HydrophobicContact CD1-CG2 3.79Å; L1048-T1118 HydrophobicContact CG-CG2 4.46Å; L1052-T1118 HydrophobicContact CD1-CG2 4.39Å; L1052-T1118 HydrophobicContact CD2-CG2 3.91Å; L1052-T1118 HydrophobicContact CG-CG2 4.04Å; L1114-T1118 WeakPolarHBondContact O-CB 3.33Å; L1114-T1118 PolarHBondContact O-N 3.15Å; L1114-T1118 PolarHBondContact O-OG1 3.35Å; C1115-T1118 PolarHBondContact O-N 2.78Å; E1116-T1118 VanDerWaalsContact C-N 3.33Å; T1118-F1121 WeakPolarHBondContact O-CB 3.39Å; T1118-F1121 PolarHBondContact O-N 2.84Å; T1118-I1122 HydrophobicContact CG2-CD1 3.82Å; T1118-I1122 HydrophobicContact CG2-CG1 4.38Å; T1118-I1122 WeakPolarHBondContact O-CB 3.34Å; T1118-I1122 VanDerWaalsContact O-CG1 3.27Å; T1118-I1122 WeakPolarHBondContact O-CG1 3.27Å; T1118-I1122 PolarHBondContact O-N 3.37Å
1119Q88.9Confident84.4Confident17 Ų1728.5 Ų28.58%0.07913%0.129CC..Hα-helixtrans-69.3-49.3175.1-74.7174.5100113.1L1021 V1024 Q1028 C1115 E1116 L1117 F1121 I1122 K1123L1021-Q1119 HydrophobicContact CD2-CB 4.28Å; L1021-Q1119 HydrophobicContact CD2-CG 4.22Å; V1024-Q1119 HydrophobicContact CB-CG 4.07Å; V1024-Q1119 HydrophobicContact CG1-CG 3.68Å; Q1028-Q1119 VanDerWaalsContact NE2-CD 3.31Å; Q1028-Q1119 VanDerWaalsContact NE2-OE1 3.12Å; C1115-Q1119 WeakPolarHBondContact O-CG 3.46Å; C1115-Q1119 PolarHBondContact O-N 3.14Å; E1116-Q1119 PolarHBondContact O-N 2.92Å; L1117-Q1119 PolarHBondContact O-N 2.85Å; Q1119-F1121 PolarHBondContact O-N 3.04Å; Q1119-I1122 PolarHBondContact O-N 2.76Å; Q1119-K1123 WeakPolarHBondContact O-CB 3.23Å; Q1119-K1123 VanDerWaalsContact O-CG 3.28Å; Q1119-K1123 WeakPolarHBondContact O-CG 3.41Å; Q1119-K1123 PolarHBondContact O-N 2.97Å
1120T86.5Confident83.5Confident2 Ų226.5 Ų26.51%0.01212%0.121CC..Hα-helixtrans-59.6-35.2174.1-68.40000110.7E1078 L1079 R1082 E1116 L1124E1078-T1120 HydrophobicContact CB-CG2 3.87Å; E1078-T1120 HydrophobicContact CG-CG2 3.9Å; E1078-T1120 PolarHBondContact OE1-OG1 2.78Å; E1078-T1120 WeakPolarHBondContact OE2-CG2 3.16Å; E1078-T1120 PolarHBondContact OE2-OG1 3.5Å; L1079-T1120 HydrophobicContact CB-CG2 3.94Å; L1079-T1120 HydrophobicContact CD1-CG2 4.27Å; R1082-T1120 PolarHBondContact NH1-OG1 3.35Å; E1116-T1120 PolarHBondContact O-N 3.23Å; E1116-T1120 VanDerWaalsContact O-N 3.09Å; T1120-L1124 WeakPolarHBondContact O-CB 3.41Å; T1120-L1124 PolarHBondContact O-N 3.1Å
1121F85.8Confident82.5Confident0 Ų030.3 Ų30.30%014%0.142CC..Hα-helixtrans-64.1-49.1173.9177.5-87.6000113.3L1052 L1079 L1117 T1118 Q1119 K1123 L1124 V1125 L1137 L1138 V1141L1052-F1121 HydrophobicContact CD2-CD1 4.09Å; L1052-F1121 HydrophobicContact CD2-CE1 4.15Å; L1079-F1121 HydrophobicContact CD1-CB 3.87Å; L1079-F1121 HydrophobicContact CD1-CD2 4.37Å; L1079-F1121 HydrophobicContact CD2-CD2 4.33Å; L1117-F1121 WeakPolarHBondContact O-CB 3.29Å; L1117-F1121 PolarHBondContact O-N 2.92Å; T1118-F1121 WeakPolarHBondContact O-CB 3.39Å; T1118-F1121 PolarHBondContact O-N 2.84Å; Q1119-F1121 PolarHBondContact O-N 3.04Å; F1121-K1123 VanDerWaalsContact C-N 3.33Å; F1121-K1123 PolarHBondContact O-N 3.02Å; F1121-L1124 WeakPolarHBondContact O-CB 3.45Å; F1121-L1124 PolarHBondContact O-N 3.33Å; F1121-L1124 VanDerWaalsContact O-N 3.15Å; F1121-V1125 HydrophobicContact CD1-CG2 4.21Å; F1121-V1125 HydrophobicContact CE1-CG2 3.52Å; F1121-V1125 HydrophobicContact CE2-CG2 4.47Å; F1121-V1125 HydrophobicContact CZ-CG2 3.64Å; F1121-V1125 PolarHBondContact O-N 3.45Å; F1121-L1137 HydrophobicContact CD2-CD1 4.42Å; F1121-L1137 HydrophobicContact CD2-CG 4.42Å; F1121-L1137 HydrophobicContact CE2-CB 4.4Å; F1121-L1137 HydrophobicContact CE2-CD1 3.68Å; F1121-L1137 HydrophobicContact CE2-CD2 4.4Å; F1121-L1137 HydrophobicContact CE2-CG 3.46Å; F1121-L1137 VanDerWaalsContact CE2-CG 3.46Å; F1121-L1137 VanDerWaalsContact CE2-O 3.29Å; F1121-L1137 WeakPolarHBondContact CE2-O 3.34Å; F1121-L1137 VanDerWaalsContact CZ-C 3.5Å; F1121-L1137 HydrophobicContact CZ-CB 4.45Å; F1121-L1137 HydrophobicContact CZ-CG 3.84Å; F1121-L1137 WeakPolarHBondContact CZ-O 3.48Å; F1121-L1138 HydrophobicContact CE1-CD2 3.72Å; F1121-L1138 HydrophobicContact CE1-CG 4.07Å; F1121-L1138 HydrophobicContact CZ-CB 4.43Å; F1121-L1138 HydrophobicContact CZ-CD2 4.2Å; F1121-L1138 HydrophobicContact CZ-CG 4.08Å; F1121-V1141 HydrophobicContact CD1-CB 4.38Å; F1121-V1141 HydrophobicContact CD1-CG1 4.23Å; F1121-V1141 HydrophobicContact CD2-CB 3.94Å; F1121-V1141 HydrophobicContact CD2-CG1 4.33Å; F1121-V1141 HydrophobicContact CD2-CG2 3.32Å; F1121-V1141 HydrophobicContact CE1-CB 4.35Å; F1121-V1141 HydrophobicContact CE2-CB 3.81Å; F1121-V1141 HydrophobicContact CE2-CG2 3.4Å; F1121-V1141 VanDerWaalsContact CE2-CG2 3.4Å; F1121-V1141 HydrophobicContact CG-CB 4.22Å; F1121-V1141 HydrophobicContact CG-CG1 4.14Å; F1121-V1141 HydrophobicContact CG-CG2 3.96Å; F1121-V1141 HydrophobicContact CZ-CB 4.1Å; F1121-V1141 HydrophobicContact CZ-CG2 4.21Å
1122I84.9Confident81.4Confident1 Ų133.9 Ų33.91%0.00517%0.171CC..Hα-helixtrans-63-40.7177.5-71.3165.2000110.7L1017 L1021 V1024 I1051 T1118 Q1119 L1124 V1125 R1126L1017-I1122 HydrophobicContact CD1-CG2 3.62Å; L1017-I1122 HydrophobicContact CG-CG2 4.03Å; L1021-I1122 HydrophobicContact CD1-CG2 4.26Å; L1021-I1122 HydrophobicContact CD2-CB 3.81Å; L1021-I1122 HydrophobicContact CD2-CD1 4.43Å; L1021-I1122 HydrophobicContact CD2-CG2 3.61Å; L1021-I1122 HydrophobicContact CG-CB 4.42Å; L1021-I1122 HydrophobicContact CG-CG2 3.66Å; V1024-I1122 HydrophobicContact CG2-CD1 4.03Å; I1051-I1122 HydrophobicContact CG2-CD1 4.5Å; T1118-I1122 HydrophobicContact CG2-CD1 3.82Å; T1118-I1122 HydrophobicContact CG2-CG1 4.38Å; T1118-I1122 WeakPolarHBondContact O-CB 3.34Å; T1118-I1122 VanDerWaalsContact O-CG1 3.27Å; T1118-I1122 WeakPolarHBondContact O-CG1 3.27Å; T1118-I1122 PolarHBondContact O-N 3.37Å; Q1119-I1122 PolarHBondContact O-N 2.76Å; I1122-L1124 VanDerWaalsContact C-N 3.32Å; I1122-L1124 PolarHBondContact O-N 3.44Å; I1122-V1125 WeakPolarHBondContact O-CB 3.33Å; I1122-V1125 PolarHBondContact O-N 3.33Å; I1122-V1125 VanDerWaalsContact O-N 3.16Å; I1122-R1126 PolarHBondContact O-N 3.42Å
1123K83.3Confident80.2Confident73 Ų7337.1 Ų37.132%0.31719%0.187SC..Hα-helixtrans-61.3-37.9173.1-70.2167.6-176.8173.40112.3L1021 Y1075 Q1119 F1121L1021-K1123 HydrophobicContact CD1-CG 4.21Å; L1021-K1123 HydrophobicContact CD2-CG 4.28Å; Y1075-K1123 HydrophobicContact CD2-CB 4.4Å; Y1075-K1123 HydrophobicContact CE1-CB 4.38Å; Y1075-K1123 HydrophobicContact CE2-CB 4.22Å; Q1119-K1123 WeakPolarHBondContact O-CB 3.23Å; Q1119-K1123 VanDerWaalsContact O-CG 3.28Å; Q1119-K1123 WeakPolarHBondContact O-CG 3.41Å; Q1119-K1123 PolarHBondContact O-N 2.97Å; F1121-K1123 VanDerWaalsContact C-N 3.33Å; F1121-K1123 PolarHBondContact O-N 3.02Å
1124L82.1Confident79.4Confident4 Ų437.3 Ų37.32%0.02119%0.185CC..Hα-helixtrans-68.6-38.9172.6179.160.2000112.2I1072 K1076 L1079 T1120 F1121 I1122 R1126 G1127 L1137I1072-L1124 HydrophobicContact CG2-CD1 4.04Å; K1076-L1124 HydrophobicContact CG-CD1 3.81Å; K1076-L1124 HydrophobicContact CG-CD2 3.9Å; L1079-L1124 HydrophobicContact CD2-CD2 3.78Å; T1120-L1124 WeakPolarHBondContact O-CB 3.41Å; T1120-L1124 PolarHBondContact O-N 3.1Å; F1121-L1124 WeakPolarHBondContact O-CB 3.45Å; F1121-L1124 PolarHBondContact O-N 3.33Å; F1121-L1124 VanDerWaalsContact O-N 3.15Å; I1122-L1124 VanDerWaalsContact C-N 3.32Å; I1122-L1124 PolarHBondContact O-N 3.44Å; L1124-R1126 VanDerWaalsContact C-N 3.34Å; L1124-R1126 PolarHBondContact O-N 3.03Å; L1124-G1127 WeakPolarHBondContact O-CA 3.39Å; L1124-G1127 PolarHBondContact O-N 3.18Å; L1124-L1137 HydrophobicContact CD2-CD2 4.11Å; L1124-L1137 HydrophobicContact CG-CD2 4.3Å
1125V77.4Confident78.6Confident5 Ų540.6 Ų40.63%0.0320%0.202CC..Hα-helixtrans-59.9-38.9178.7157.10000112.2L1017 F1121 I1122 G1127 V1128 R1134 L1137 L1138L1017-V1125 HydrophobicContact CD2-CG1 4.47Å; F1121-V1125 HydrophobicContact CD1-CG2 4.21Å; F1121-V1125 HydrophobicContact CE1-CG2 3.52Å; F1121-V1125 HydrophobicContact CE2-CG2 4.47Å; F1121-V1125 HydrophobicContact CZ-CG2 3.64Å; F1121-V1125 PolarHBondContact O-N 3.45Å; I1122-V1125 WeakPolarHBondContact O-CB 3.33Å; I1122-V1125 PolarHBondContact O-N 3.33Å; I1122-V1125 VanDerWaalsContact O-N 3.16Å; V1125-G1127 PolarHBondContact O-N 3.17Å; V1125-G1127 VanDerWaalsContact O-N 3.08Å; V1125-V1128 PolarHBondContact O-N 3.41Å; V1125-V1128 VanDerWaalsContact O-N 3.16Å; V1125-R1134 HydrophobicContact CG1-CG 3.85Å; V1125-L1137 HydrophobicContact CG2-CD2 4.48Å; V1125-L1138 HydrophobicContact CG2-CG 4.35Å
1126R72.1Confident77.7Confident56 Ų5646 Ų4621%0.21123%0.228CC..THydrogen-bonded Turntrans-54.4-24.1170.2-87.7-173.5141.3145.6-8.1113.5L1017 E1018 E1064 L1067 I1122 L1124L1017-R1126 HydrophobicContact CD2-CG 3.42Å; L1017-R1126 VanDerWaalsContact CD2-CG 3.42Å; L1017-R1126 HydrophobicContact CG-CG 4.04Å; E1018-R1126 IonicContact OE2-CZ 2.82Å; E1018-R1126 IonicContact OE2-NH1 3.26Å; E1018-R1126 PolarHBondContact OE2-NH1 3.17Å; E1018-R1126 IonicContact OE2-NH2 3.64Å; E1018-R1126 PolarHBondContact OE2-NH2 2.89Å; E1064-R1126 VanDerWaalsContact CD-NH2 3.33Å; E1064-R1126 IonicContact OE1-CZ 2.63Å; E1064-R1126 IonicContact OE1-NE 2.96Å; E1064-R1126 IonicContact OE1-NH2 3.72Å; E1064-R1126 PolarHBondContact OE1-NH2 2.82Å; E1064-R1126 IonicContact OE2-CZ 3.81Å; E1064-R1126 IonicContact OE2-NE 2.79Å; E1064-R1126 PolarHBondContact OE2-NE 2.9Å; E1064-R1126 IonicContact OE2-NH2 3.71Å; E1064-R1126 PolarHBondContact OE2-NH2 3.5Å; L1067-R1126 HydrophobicContact CD1-CB 3.67Å; I1122-R1126 PolarHBondContact O-N 3.42Å; L1124-R1126 VanDerWaalsContact C-N 3.34Å; L1124-R1126 PolarHBondContact O-N 3.03Å
1127G67.7Low76.9Confident8 Ų845.7 Ų45.78%0.08223%0.227CC..THydrogen-bonded Turntrans-96.2-4.3-178.800000116.1I1072 L1124 V1125 R1129I1072-G1127 WeakPolarHBondContact CD1-O 3.44Å; L1124-G1127 WeakPolarHBondContact O-CA 3.39Å; L1124-G1127 PolarHBondContact O-N 3.18Å; V1125-G1127 PolarHBondContact O-N 3.17Å; V1125-G1127 VanDerWaalsContact O-N 3.08Å; G1127-R1129 PolarHBondContact O-N 3.24Å
1128V73.3Confident76.4Confident17 Ų1746 Ų4610%0.10323%0.229CC..  trans-90.7103.4-173.8177.80000111.5V1125 S1130 Q1133 R1134 L1137V1125-V1128 PolarHBondContact O-N 3.41Å; V1125-V1128 VanDerWaalsContact O-N 3.16Å; V1128-S1130 PolarHBondContact O-N 3.47Å; V1128-Q1133 HydrophobicContact CG1-CB 3.64Å; V1128-R1134 HydrophobicContact CG1-CB 4.29Å; V1128-L1137 HydrophobicContact CG2-CD2 3.91Å
1129R59.9Low75.8Confident207 Ų20754.3 Ų54.378%0.78126%0.26SS*.SBendtrans-71.122.3-174.9-53.7-176.665.8158.80.7116.2G1127G1127-R1129 PolarHBondContact O-N 3.24Å
1130S72.3Confident75.2Confident43 Ų4359 Ų5930%0.30128%0.28SS..  trans-155.7115.8-176.6177.10000110.5V1128 A1132 Q1133 R1134V1128-S1130 PolarHBondContact O-N 3.47Å; S1130-A1132 PolarHBondContact O-N 3.21Å; S1130-Q1133 CarbonylContact O-C 3.58Å; S1130-Q1133 WeakPolarHBondContact O-CA 3.49Å; S1130-Q1133 WeakPolarHBondContact O-CB 3.43Å; S1130-Q1133 PolarHBondContact O-N 3.49Å; S1130-R1134 PolarHBondContact O-N 2.67Å
1131D69.8Low75Confident81 Ų8159 Ų5943%0.43328%0.28SS..Hα-helixtrans-59.3-33.2-179.2-71.8-76000113.8Q1133 R1134 L1135D1131-Q1133 VanDerWaalsContact C-N 3.28Å; D1131-Q1133 PolarHBondContact O-N 2.89Å; D1131-R1134 PolarHBondContact O-N 3.32Å; D1131-R1134 IonicContact OD1-CZ 2.64Å; D1131-R1134 IonicContact OD1-NE 3.16Å; D1131-R1134 PolarHBondContact OD1-NE 2.89Å; D1131-R1134 IonicContact OD1-NH2 3.75Å; D1131-R1134 PolarHBondContact OD1-NH2 3.07Å; D1131-L1135 VanDerWaalsContact O-CB 3.29Å; D1131-L1135 WeakPolarHBondContact O-CB 3.4Å; D1131-L1135 VanDerWaalsContact O-CG 3.27Å; D1131-L1135 WeakPolarHBondContact O-CG 3.5Å; D1131-L1135 PolarHBondContact O-N 3.21Å
1132A70.6Confident74.8Confident75 Ų7561.2 Ų61.262%0.6229%0.291SS*.Hα-helixtrans-59.7-40.5173.700000111.8S1130 Q1136S1130-A1132 PolarHBondContact O-N 3.21Å; A1132-Q1136 VanDerWaalsContact O-CB 3.26Å; A1132-Q1136 WeakPolarHBondContact O-CB 3.39Å; A1132-Q1136 PolarHBondContact O-N 3.24Å
1133Q67.3Low74.6Confident120 Ų12066.1 Ų66.156%0.56131%0.314SS*.Hα-helixtrans-75.6-39.2174.4-62.9-174.31.400111.5V1128 S1130 D1131 Q1136 L1137V1128-Q1133 HydrophobicContact CG1-CB 3.64Å; S1130-Q1133 CarbonylContact O-C 3.58Å; S1130-Q1133 WeakPolarHBondContact O-CA 3.49Å; S1130-Q1133 WeakPolarHBondContact O-CB 3.43Å; S1130-Q1133 PolarHBondContact O-N 3.49Å; D1131-Q1133 VanDerWaalsContact C-N 3.28Å; D1131-Q1133 PolarHBondContact O-N 2.89Å; Q1133-Q1136 PolarHBondContact O-N 3.03Å; Q1133-L1137 WeakPolarHBondContact O-CB 3.26Å; Q1133-L1137 PolarHBondContact O-N 3.48Å
1134R74.2Confident74.5Confident22 Ų2262.7 Ų62.78%0.08330%0.299CS..Hα-helixtrans-57.4-53.1177.3-161.1176.666.488.2-3.2111C1055 A1056 S1058 V1125 V1128 S1130 D1131 L1137 L1138C1055-R1134 PolarHBondContact O-NH1 3.19Å; A1056-R1134 PolarHBondContact O-NH1 3.17Å; A1056-R1134 PolarHBondContact O-NH2 2.85Å; A1056-R1134 VanDerWaalsContact O-NH2 3.17Å; S1058-R1134 PolarHBondContact O-NH2 3.27Å; V1125-R1134 HydrophobicContact CG1-CG 3.85Å; V1128-R1134 HydrophobicContact CG1-CB 4.29Å; S1130-R1134 PolarHBondContact O-N 2.67Å; D1131-R1134 PolarHBondContact O-N 3.32Å; D1131-R1134 IonicContact OD1-CZ 2.64Å; D1131-R1134 IonicContact OD1-NE 3.16Å; D1131-R1134 PolarHBondContact OD1-NE 2.89Å; D1131-R1134 IonicContact OD1-NH2 3.75Å; D1131-R1134 PolarHBondContact OD1-NH2 3.07Å; R1134-L1137 PolarHBondContact O-N 2.71Å; R1134-L1138 HydrophobicContact CG-CD1 4.21Å; R1134-L1138 WeakPolarHBondContact O-CB 3.31Å; R1134-L1138 WeakPolarHBondContact O-CD1 3.24Å; R1134-L1138 WeakPolarHBondContact O-CG 3.33Å; R1134-L1138 PolarHBondContact O-N 3.33Å
1135L74.6Confident74.7Confident71 Ų7162.6 Ų62.637%0.37230%0.299SS..Hα-helixtrans-69.8-31.2179.3-65.6170.3000113.2A1056 D1131 L1138 R1139A1056-L1135 HydrophobicContact CB-CD2 4.06Å; D1131-L1135 VanDerWaalsContact O-CB 3.29Å; D1131-L1135 WeakPolarHBondContact O-CB 3.4Å; D1131-L1135 VanDerWaalsContact O-CG 3.27Å; D1131-L1135 WeakPolarHBondContact O-CG 3.5Å; D1131-L1135 PolarHBondContact O-N 3.21Å; L1135-L1138 HydrophobicContact CD2-CD1 4.41Å; L1135-R1139 PolarHBondContact O-N 2.83Å; L1135-R1139 VanDerWaalsContact O-N 3.15Å
1136Q72.8Confident75Confident113 Ų11365.2 Ų65.253%0.52831%0.312SS..Hα-helixtrans-70.6-36.7172.1-173.4-178.336.900111.8A1132 Q1133 K1140A1132-Q1136 VanDerWaalsContact O-CB 3.26Å; A1132-Q1136 WeakPolarHBondContact O-CB 3.39Å; A1132-Q1136 PolarHBondContact O-N 3.24Å; Q1133-Q1136 PolarHBondContact O-N 3.03Å; Q1136-K1140 WeakPolarHBondContact O-CG 3.35Å
1137L72.9Confident75.5Confident44 Ų4465.4 Ų65.423%0.2332%0.317CS..Hα-helixtrans-70.3-42.9177.5-176.554.2000110.4F1121 L1124 V1125 V1128 Q1133 R1134 K1140F1121-L1137 HydrophobicContact CD2-CD1 4.42Å; F1121-L1137 HydrophobicContact CD2-CG 4.42Å; F1121-L1137 HydrophobicContact CE2-CB 4.4Å; F1121-L1137 HydrophobicContact CE2-CD1 3.68Å; F1121-L1137 HydrophobicContact CE2-CD2 4.4Å; F1121-L1137 HydrophobicContact CE2-CG 3.46Å; F1121-L1137 VanDerWaalsContact CE2-CG 3.46Å; F1121-L1137 VanDerWaalsContact CE2-O 3.29Å; F1121-L1137 WeakPolarHBondContact CE2-O 3.34Å; F1121-L1137 VanDerWaalsContact CZ-C 3.5Å; F1121-L1137 HydrophobicContact CZ-CB 4.45Å; F1121-L1137 HydrophobicContact CZ-CG 3.84Å; F1121-L1137 WeakPolarHBondContact CZ-O 3.48Å; L1124-L1137 HydrophobicContact CD2-CD2 4.11Å; L1124-L1137 HydrophobicContact CG-CD2 4.3Å; V1125-L1137 HydrophobicContact CG2-CD2 4.48Å; V1128-L1137 HydrophobicContact CG2-CD2 3.91Å; Q1133-L1137 WeakPolarHBondContact O-CB 3.26Å; Q1133-L1137 PolarHBondContact O-N 3.48Å; R1134-L1137 PolarHBondContact O-N 2.71Å; L1137-K1140 PolarHBondContact O-N 3.08Å
1138L79.7Confident76.4Confident7 Ų765.2 Ų65.24%0.03731%0.314CS..Hα-helixtrans-58.4-52.4174.6-84.5154.4000112.8C1055 A1056 F1121 V1125 R1134 L1135 K1140 V1141 E1142C1055-L1138 HydrophobicContact CB-CD2 4.06Å; A1056-L1138 HydrophobicContact CB-CD1 3.92Å; F1121-L1138 HydrophobicContact CE1-CD2 3.72Å; F1121-L1138 HydrophobicContact CE1-CG 4.07Å; F1121-L1138 HydrophobicContact CZ-CB 4.43Å; F1121-L1138 HydrophobicContact CZ-CD2 4.2Å; F1121-L1138 HydrophobicContact CZ-CG 4.08Å; V1125-L1138 HydrophobicContact CG2-CG 4.35Å; R1134-L1138 HydrophobicContact CG-CD1 4.21Å; R1134-L1138 WeakPolarHBondContact O-CB 3.31Å; R1134-L1138 WeakPolarHBondContact O-CD1 3.24Å; R1134-L1138 WeakPolarHBondContact O-CG 3.33Å; R1134-L1138 PolarHBondContact O-N 3.33Å; L1135-L1138 HydrophobicContact CD2-CD1 4.41Å; L1138-K1140 PolarHBondContact O-N 3.14Å; L1138-K1140 VanDerWaalsContact O-N 3.13Å; L1138-V1141 PolarHBondContact O-N 3.48Å; L1138-E1142 PolarHBondContact O-N 2.83Å
1139R76.8Confident77.1Confident174 Ų17465 Ų6566%0.65731%0.313SS*.Hα-helixtrans-58-31-179.1-79.4-169.1-77.2174.1-9113.6L1135 E1143L1135-R1139 PolarHBondContact O-N 2.83Å; L1135-R1139 VanDerWaalsContact O-N 3.15Å; R1139-E1143 WeakPolarHBondContact O-CB 3.13Å; R1139-E1143 PolarHBondContact O-N 3Å
1140K76.4Confident78.1Confident115 Ų11559.9 Ų59.950%0.530%0.3SS..Hα-helixtrans-70.7-29175.7-72.5178.8176.9-175.70114.1Q1136 L1137 L1138 V1144Q1136-K1140 WeakPolarHBondContact O-CG 3.35Å; L1137-K1140 PolarHBondContact O-N 3.08Å; L1138-K1140 PolarHBondContact O-N 3.14Å; L1138-K1140 VanDerWaalsContact O-N 3.13Å; K1140-V1144 VanDerWaalsContact O-CG2 3.26Å; K1140-V1144 WeakPolarHBondContact O-CG2 3.42Å; K1140-V1144 PolarHBondContact O-N 2.87Å
1141V80.8Confident78.7Confident2 Ų259.5 Ų59.51%0.01230%0.295CS..Hα-helixtrans-90.7-29.9177.2169.90000111.7L1052 F1083 F1121 L1138 E1143 V1144 A1145L1052-V1141 HydrophobicContact CD1-CG1 3.97Å; L1052-V1141 HydrophobicContact CD2-CG1 3.88Å; F1083-V1141 HydrophobicContact CZ-CG2 4.01Å; F1121-V1141 HydrophobicContact CD1-CB 4.38Å; F1121-V1141 HydrophobicContact CD1-CG1 4.23Å; F1121-V1141 HydrophobicContact CD2-CB 3.94Å; F1121-V1141 HydrophobicContact CD2-CG1 4.33Å; F1121-V1141 HydrophobicContact CD2-CG2 3.32Å; F1121-V1141 HydrophobicContact CE1-CB 4.35Å; F1121-V1141 HydrophobicContact CE2-CB 3.81Å; F1121-V1141 HydrophobicContact CE2-CG2 3.4Å; F1121-V1141 VanDerWaalsContact CE2-CG2 3.4Å; F1121-V1141 HydrophobicContact CG-CB 4.22Å; F1121-V1141 HydrophobicContact CG-CG1 4.14Å; F1121-V1141 HydrophobicContact CG-CG2 3.96Å; F1121-V1141 HydrophobicContact CZ-CB 4.1Å; F1121-V1141 HydrophobicContact CZ-CG2 4.21Å; L1138-V1141 PolarHBondContact O-N 3.48Å; V1141-E1143 VanDerWaalsContact C-N 3.34Å; V1141-V1144 PolarHBondContact O-N 3.36Å; V1141-A1145 WeakPolarHBondContact O-CB 3.4Å; V1141-A1145 PolarHBondContact O-N 3.4Å
1142E83.1Confident79.5Confident47 Ų4755.7 Ų55.722%0.2227%0.274CS..Hα-helixtrans-56.7-48.1162.6-169.3-171.1176.400110.9L1049 R1053 L1138 V1144 A1145 I1146L1049-E1142 HydrophobicContact CD2-CG 3.88Å; R1053-E1142 IonicContact CZ-OE1 3.34Å; R1053-E1142 IonicContact NE-OE1 2.76Å; R1053-E1142 PolarHBondContact NE-OE1 3.47Å; R1053-E1142 IonicContact NH2-OE1 3.15Å; R1053-E1142 PolarHBondContact NH2-OE1 3.32Å; L1138-E1142 PolarHBondContact O-N 2.83Å; E1142-V1144 PolarHBondContact O-N 3.29Å; E1142-A1145 PolarHBondContact O-N 3.04Å; E1142-I1146 HydrophobicContact CG-CD1 3.99Å; E1142-I1146 WeakPolarHBondContact O-CB 3.41Å; E1142-I1146 VanDerWaalsContact O-CG1 3.3Å; E1142-I1146 WeakPolarHBondContact O-CG1 3.13Å; E1142-I1146 PolarHBondContact O-N 3.38Å
1143E80.2Confident80.2Confident104 Ų10458 Ų5849%0.48627%0.267SS..Hα-helixtrans-58.6-42175.5179.2171.2-136.500112.8R1139 V1141 I1146 N1147R1139-E1143 WeakPolarHBondContact O-CB 3.13Å; R1139-E1143 PolarHBondContact O-N 3Å; V1141-E1143 VanDerWaalsContact C-N 3.34Å; E1143-I1146 PolarHBondContact O-N 2.57Å; E1143-N1147 WeakPolarHBondContact O-CB 3.49Å; E1143-N1147 PolarHBondContact O-N 3.45Å; E1143-N1147 PolarHBondContact O-ND2 3.24Å
1144V81.3Confident80.8Confident1 Ų153.5 Ų53.51%0.00625%0.25CS..Hα-helixtrans-64.2-42174.71640000112.2F688 L692 F1083 F1086 L1114 L1117 K1140 V1141 E1142 N1147 Y1148F688-V1144 HydrophobicContact CE2-CG2 4.35Å; F688-V1144 HydrophobicContact CZ-CG1 4.38Å; F688-V1144 HydrophobicContact CZ-CG2 4.34Å; L692-V1144 HydrophobicContact CD1-CG2 4.3Å; L692-V1144 HydrophobicContact CD2-CG2 4.09Å; F1083-V1144 HydrophobicContact CE1-CG1 4.37Å; F1083-V1144 HydrophobicContact CE1-CG2 4.06Å; F1086-V1144 HydrophobicContact CD1-CG1 4.31Å; F1086-V1144 HydrophobicContact CE1-CG1 3.69Å; F1086-V1144 HydrophobicContact CZ-CG1 4.28Å; L1114-V1144 HydrophobicContact CD1-CG1 4.3Å; L1117-V1144 HydrophobicContact CD2-CG1 4.25Å; K1140-V1144 VanDerWaalsContact O-CG2 3.26Å; K1140-V1144 WeakPolarHBondContact O-CG2 3.42Å; K1140-V1144 PolarHBondContact O-N 2.87Å; V1141-V1144 PolarHBondContact O-N 3.36Å; E1142-V1144 PolarHBondContact O-N 3.29Å; V1144-N1147 PolarHBondContact O-N 2.81Å; V1144-Y1148 PolarHBondContact O-N 2.87Å
1145A85.8Confident81.2Confident2 Ų252.6 Ų52.62%0.01725%0.247CC..Hα-helixtrans-72-36.9177.700000112.4L1049 L1052 V1141 E1142 Y1148 T1149L1049-A1145 HydrophobicContact CD2-CB 3.54Å; L1049-A1145 HydrophobicContact CG-CB 3.94Å; L1052-A1145 HydrophobicContact CD1-CB 4.08Å; V1141-A1145 WeakPolarHBondContact O-CB 3.4Å; V1141-A1145 PolarHBondContact O-N 3.4Å; E1142-A1145 PolarHBondContact O-N 3.04Å; A1145-Y1148 WeakPolarHBondContact O-CB 3.31Å; A1145-Y1148 PolarHBondContact O-N 3.15Å; A1145-T1149 PolarHBondContact O-N 3.4Å
1146I83.1Confident81.8Confident61 Ų6152.7 Ų52.731%0.31325%0.246SC..Hα-helixtrans-58.5-50.6170.3-72167.3000109.8L1049 E1142 E1143 Y1148 T1149 L1150L1049-I1146 HydrophobicContact CD1-CG1 4.06Å; L1049-I1146 HydrophobicContact CD2-CG1 3.85Å; E1142-I1146 HydrophobicContact CG-CD1 3.99Å; E1142-I1146 WeakPolarHBondContact O-CB 3.41Å; E1142-I1146 VanDerWaalsContact O-CG1 3.3Å; E1142-I1146 WeakPolarHBondContact O-CG1 3.13Å; E1142-I1146 PolarHBondContact O-N 3.38Å; E1143-I1146 PolarHBondContact O-N 2.57Å; I1146-Y1148 PolarHBondContact O-N 2.93Å; I1146-T1149 PolarHBondContact O-N 2.8Å; I1146-T1149 PolarHBondContact O-OG1 2.78Å; I1146-L1150 PolarHBondContact O-N 3.06Å
1147N82.7Confident82.1Confident59 Ų5953.3 Ų53.332%0.31625%0.249SC..Hα-helixtrans-63.6-29.6179.5-70.6-20.1000112.4F688 E1143 V1144 L1150 L1151F688-N1147 HydrophobicContact CD2-CB 4.05Å; F688-N1147 HydrophobicContact CE2-CB 3.67Å; F688-N1147 HydrophobicContact CZ-CB 4.39Å; E1143-N1147 WeakPolarHBondContact O-CB 3.49Å; E1143-N1147 PolarHBondContact O-N 3.45Å; E1143-N1147 PolarHBondContact O-ND2 3.24Å; V1144-N1147 PolarHBondContact O-N 2.81Å; N1147-L1150 PolarHBondContact O-N 3.11Å; N1147-L1151 PolarHBondContact O-N 3.2Å; N1147-L1151 VanDerWaalsContact O-N 3.12Å
1148Y87.2Confident82.2Confident4 Ų451.4 Ų51.42%0.01624%0.239CC..Hα-helixtrans-66.6-38.8169.7-172.1-104000113A1045 F1086 V1107 S1110 F1111 L1114 V1144 A1145 I1146 L1150 L1151 L1152A1045-Y1148 HydrophobicContact CB-CD1 4.41Å; F1086-Y1148 AromaticContact CE2-CD2 3.72Å; F1086-Y1148 HydrophobicContact CE2-CD2 3.72Å; F1086-Y1148 AromaticContact CE2-CE2 4Å; F1086-Y1148 HydrophobicContact CE2-CE2 4Å; F1086-Y1148 HydrophobicContact CE2-CG 4.4Å; F1086-Y1148 AromaticContact CZ-CD2 3.65Å; F1086-Y1148 HydrophobicContact CZ-CD2 3.65Å; F1086-Y1148 HydrophobicContact CZ-CE2 4.37Å; F1086-Y1148 HydrophobicContact CZ-CG 4.21Å; V1107-Y1148 PolarHBondContact O-OH 2.77Å; V1107-Y1148 VanDerWaalsContact O-OH 3.09Å; S1110-Y1148 PolarHBondContact OG-OH 3.48Å; F1111-Y1148 HydrophobicContact CB-CE1 4.47Å; F1111-Y1148 AromaticContact CD2-CE1 3.97Å; F1111-Y1148 HydrophobicContact CD2-CE1 3.97Å; F1111-Y1148 PolarHBondContact N-OH 3.23Å; F1111-Y1148 VanDerWaalsContact N-OH 3.13Å; L1114-Y1148 HydrophobicContact CD2-CD1 3.38Å; L1114-Y1148 HydrophobicContact CD2-CD2 4.39Å; L1114-Y1148 HydrophobicContact CD2-CE1 3.9Å; L1114-Y1148 HydrophobicContact CD2-CG 3.65Å; V1144-Y1148 PolarHBondContact O-N 2.87Å; A1145-Y1148 WeakPolarHBondContact O-CB 3.31Å; A1145-Y1148 PolarHBondContact O-N 3.15Å; I1146-Y1148 PolarHBondContact O-N 2.93Å; Y1148-L1150 PolarHBondContact O-N 2.86Å; Y1148-L1151 HydrophobicContact CD2-CD2 4.2Å; Y1148-L1151 HydrophobicContact CE2-CD2 4.35Å; Y1148-L1151 WeakPolarHBondContact O-CB 3.35Å; Y1148-L1151 PolarHBondContact O-N 2.76Å; Y1148-L1151 VanDerWaalsContact O-N 3.1Å; Y1148-L1152 HydrophobicContact CD1-CD1 4.03Å; Y1148-L1152 HydrophobicContact CD1-CG 4.08Å; Y1148-L1152 HydrophobicContact CE1-CD1 3.77Å; Y1148-L1152 HydrophobicContact CE1-CD2 3.8Å; Y1148-L1152 HydrophobicContact CE1-CG 3.79Å; Y1148-L1152 WeakPolarHBondContact O-CG 3.34Å; Y1148-L1152 PolarHBondContact O-N 3.47Å
1149T87.3Confident82.2Confident14 Ų1452.1 Ų52.19%0.08624%0.243CC..Hα-helixtrans-62.5-30.3174.468.60000112.8A1045 L1049 A1145 I1146 R1153A1045-T1149 HydrophobicContact CB-CG2 3.91Å; L1049-T1149 HydrophobicContact CD1-CG2 3.95Å; A1145-T1149 PolarHBondContact O-N 3.4Å; I1146-T1149 PolarHBondContact O-N 2.8Å; I1146-T1149 PolarHBondContact O-OG1 2.78Å; T1149-R1153 PolarHBondContact O-N 3.17Å
1150L82.1Confident81.4Confident98 Ų9845.2 Ų45.251%0.51323%0.225SC..Hα-helixtrans-70.7-40172.4-59177.6000111.8I1146 N1147 Y1148 L1152 R1153 A1154I1146-L1150 PolarHBondContact O-N 3.06Å; N1147-L1150 PolarHBondContact O-N 3.11Å; Y1148-L1150 PolarHBondContact O-N 2.86Å; L1150-L1152 VanDerWaalsContact C-N 3.33Å; L1150-L1152 PolarHBondContact O-N 2.95Å; L1150-R1153 PolarHBondContact O-N 2.78Å; L1150-A1154 PolarHBondContact O-N 3.38Å
1151L84Confident80.5Confident35 Ų3548 Ų4818%0.18324%0.24CC..Hα-helixtrans-61.9-39.3173.1-179.163.4000112V681 C1090 V1093 N1147 Y1148 A1154 A1155V681-L1151 HydrophobicContact CG1-CD1 3.9Å; C1090-L1151 HydrophobicContact CB-CD2 3.93Å; V1093-L1151 HydrophobicContact CG1-CD1 4.46Å; V1093-L1151 HydrophobicContact CG1-CG 4.43Å; N1147-L1151 PolarHBondContact O-N 3.2Å; N1147-L1151 VanDerWaalsContact O-N 3.12Å; Y1148-L1151 HydrophobicContact CD2-CD2 4.2Å; Y1148-L1151 HydrophobicContact CE2-CD2 4.35Å; Y1148-L1151 WeakPolarHBondContact O-CB 3.35Å; Y1148-L1151 PolarHBondContact O-N 2.76Å; Y1148-L1151 VanDerWaalsContact O-N 3.1Å; L1151-A1154 PolarHBondContact O-N 2.82Å; L1151-A1155 WeakPolarHBondContact O-CB 3.31Å; L1151-A1155 PolarHBondContact O-N 3.39Å
1152L87.3Confident78.7Confident2 Ų251.8 Ų51.81%0.0127%0.267CS..Hα-helixtrans-61.2-43.6176-69.3179.9000112.3A1041 Q1042 A1045 V1107 Y1148 L1150 A1155 E1156A1041-L1152 HydrophobicContact CB-CD1 4.22Å; A1041-L1152 HydrophobicContact CB-CD2 4.27Å; A1041-L1152 WeakPolarHBondContact O-CD1 3.3Å; Q1042-L1152 HydrophobicContact CG-CB 3.95Å; Q1042-L1152 HydrophobicContact CG-CD1 4.09Å; A1045-L1152 HydrophobicContact CB-CD1 3.89Å; V1107-L1152 HydrophobicContact CB-CD2 4.46Å; V1107-L1152 HydrophobicContact CG1-CD2 3.46Å; V1107-L1152 VanDerWaalsContact CG1-CD2 3.46Å; V1107-L1152 HydrophobicContact CG2-CD2 4.18Å; Y1148-L1152 HydrophobicContact CD1-CD1 4.03Å; Y1148-L1152 HydrophobicContact CD1-CG 4.08Å; Y1148-L1152 HydrophobicContact CE1-CD1 3.77Å; Y1148-L1152 HydrophobicContact CE1-CD2 3.8Å; Y1148-L1152 HydrophobicContact CE1-CG 3.79Å; Y1148-L1152 WeakPolarHBondContact O-CG 3.34Å; Y1148-L1152 PolarHBondContact O-N 3.47Å; L1150-L1152 VanDerWaalsContact C-N 3.33Å; L1150-L1152 PolarHBondContact O-N 2.95Å; L1152-A1155 WeakPolarHBondContact O-CB 3.4Å; L1152-A1155 PolarHBondContact O-N 3.33Å; L1152-E1156 PolarHBondContact O-N 2.87Å
1153R84.3Confident76.7Confident123 Ų12354 Ų5446%0.46429%0.287SS..Hα-helixtrans-66-44.2176.4-72.2-179-179.6175.94.9112.4Q1042 T1149 L1150 A1155 E1156 E1157Q1042-R1153 VanDerWaalsContact OE1-CG 3.23Å; T1149-R1153 PolarHBondContact O-N 3.17Å; L1150-R1153 PolarHBondContact O-N 2.78Å; R1153-A1155 PolarHBondContact O-N 2.87Å; R1153-E1156 WeakPolarHBondContact O-CB 3.23Å; R1153-E1156 PolarHBondContact O-N 3.07Å; R1153-E1157 WeakPolarHBondContact O-CB 3.25Å; R1153-E1157 WeakPolarHBondContact O-CG 3.38Å; R1153-E1157 PolarHBondContact O-N 2.69Å
1154A80.6Confident74.4Confident25 Ų2553.9 Ų53.921%0.20730%0.298CS..Hα-helixtrans-62.9-32.8175.600000112.4V681 L1150 L1151 S1158V681-A1154 HydrophobicContact CG2-CB 3.86Å; L1150-A1154 PolarHBondContact O-N 3.38Å; L1151-A1154 PolarHBondContact O-N 2.82Å; A1154-S1158 VanDerWaalsContact O-CB 3.3Å; A1154-S1158 WeakPolarHBondContact O-CB 3.09Å; A1154-S1158 PolarHBondContact O-N 2.63Å; A1154-S1158 VanDerWaalsContact O-N 3.08Å; A1154-S1158 PolarHBondContact O-OG 3.35Å
1155A83.6Confident72Confident3 Ų361.5 Ų61.53%0.02534%0.338CS..Hα-helixtrans-67.6-45.617300000112F1038 V1093 M1103 L1151 L1152 R1153 S1158 M1159F1038-A1155 HydrophobicContact CE1-CB 4.25Å; V1093-A1155 HydrophobicContact CG1-CB 4.05Å; M1103-A1155 HydrophobicContact CE-CB 4.45Å; M1103-A1155 HydrophobicContact CG-CB 4.12Å; M1103-A1155 HydrophobicContact SD-CB 3.99Å; L1151-A1155 WeakPolarHBondContact O-CB 3.31Å; L1151-A1155 PolarHBondContact O-N 3.39Å; L1152-A1155 WeakPolarHBondContact O-CB 3.4Å; L1152-A1155 PolarHBondContact O-N 3.33Å; R1153-A1155 PolarHBondContact O-N 2.87Å; A1155-S1158 PolarHBondContact O-N 2.85Å; A1155-S1158 PolarHBondContact O-OG 3.07Å; A1155-M1159 WeakPolarHBondContact O-CG 3.33Å; A1155-M1159 PolarHBondContact O-N 2.93Å
1156E85.8Confident69.5Low74 Ų7467 Ų6735%0.34637%0.373SS..Hα-helixtrans-58.3-53.8174.1-178.6175.5-146.100111.7F1038 Q1042 L1152 R1153 S1158 M1159 G1160F1038-E1156 HydrophobicContact CB-CB 4.02Å; F1038-E1156 HydrophobicContact CB-CG 3.88Å; F1038-E1156 HydrophobicContact CD1-CB 3.82Å; F1038-E1156 HydrophobicContact CD1-CG 4.47Å; F1038-E1156 HydrophobicContact CD2-CG 4.38Å; F1038-E1156 HydrophobicContact CE1-CB 4.44Å; F1038-E1156 HydrophobicContact CG-CB 3.87Å; F1038-E1156 HydrophobicContact CG-CG 4Å; Q1042-E1156 PolarHBondContact NE2-OE2 3.24Å; L1152-E1156 PolarHBondContact O-N 2.87Å; R1153-E1156 WeakPolarHBondContact O-CB 3.23Å; R1153-E1156 PolarHBondContact O-N 3.07Å; E1156-S1158 VanDerWaalsContact C-N 3.3Å; E1156-S1158 PolarHBondContact O-N 2.67Å; E1156-M1159 PolarHBondContact O-N 3.26Å; E1156-M1159 VanDerWaalsContact O-N 3.14Å; E1156-G1160 PolarHBondContact O-N 3.44Å
1157E79.7Confident67Low126 Ų12669.4 Ų69.459%0.58939%0.391SS*.Hα-helixtrans-54.3-43.2177-73.2170.8-159.900112.2R1153 M1159 G1160R1153-E1157 WeakPolarHBondContact O-CB 3.25Å; R1153-E1157 WeakPolarHBondContact O-CG 3.38Å; R1153-E1157 PolarHBondContact O-N 2.69Å; E1157-M1159 VanDerWaalsContact C-N 3.27Å; E1157-M1159 PolarHBondContact O-N 3.39Å; E1157-G1160 PolarHBondContact O-N 2.95Å; E1157-G1160 VanDerWaalsContact O-N 3.15Å
1158S73.9Confident64.5Low4 Ų477 Ų773%0.02842%0.421CS..Hα-helixtrans-65.9-26.8-178.175.90000114.1R674 A1154 A1155 E1156R674-S1158 WeakPolarHBondContact CD-O 3.19Å; R674-S1158 PolarHBondContact NE-O 3.37Å; A1154-S1158 VanDerWaalsContact O-CB 3.3Å; A1154-S1158 WeakPolarHBondContact O-CB 3.09Å; A1154-S1158 PolarHBondContact O-N 2.63Å; A1154-S1158 VanDerWaalsContact O-N 3.08Å; A1154-S1158 PolarHBondContact O-OG 3.35Å; A1155-S1158 PolarHBondContact O-N 2.85Å; A1155-S1158 PolarHBondContact O-OG 3.07Å; E1156-S1158 VanDerWaalsContact C-N 3.3Å; E1156-S1158 PolarHBondContact O-N 2.67Å
1159M79.5Confident61.7Low22 Ų2282.7 Ų82.711%0.10846%0.456CS..Hα-helixtrans-82.1-21.4177.2-67.2-6292.700112.3F1038 S1099 P1100 M1103 A1155 E1156 E1157F1038-M1159 HydrophobicContact CZ-CB 4.49Å; F1038-M1159 HydrophobicContact CZ-CG 4Å; S1099-M1159 VanDerWaalsContact C-SD 3.54Å; P1100-M1159 HydrophobicContact CB-CB 4.23Å; P1100-M1159 HydrophobicContact CB-CG 4.24Å; P1100-M1159 HydrophobicContact CB-SD 4.42Å; P1100-M1159 HydrophobicContact CG-CB 4.13Å; P1100-M1159 HydrophobicContact CG-CG 4.4Å; P1100-M1159 HydrophobicContact CG-SD 4.27Å; M1103-M1159 HydrophobicContact CB-CG 4.06Å; M1103-M1159 HydrophobicContact CB-SD 3.98Å; M1103-M1159 HydrophobicContact CE-CE 3.63Å; M1103-M1159 HydrophobicContact CE-CG 4.26Å; M1103-M1159 HydrophobicContact CE-SD 4.1Å; M1103-M1159 HydrophobicContact CG-CG 4.11Å; M1103-M1159 HydrophobicContact CG-SD 4.47Å; A1155-M1159 WeakPolarHBondContact O-CG 3.33Å; A1155-M1159 PolarHBondContact O-N 2.93Å; E1156-M1159 PolarHBondContact O-N 3.26Å; E1156-M1159 VanDerWaalsContact O-N 3.14Å; E1157-M1159 VanDerWaalsContact C-N 3.27Å; E1157-M1159 PolarHBondContact O-N 3.39Å
1160G62Low58.9Low28 Ų2888.9 Ų88.929%0.28949%0.494SS..  trans78.3163.7-179.100000113.1E1156 E1157 S1162E1156-G1160 PolarHBondContact O-N 3.44Å; E1157-G1160 PolarHBondContact O-N 2.95Å; E1157-G1160 VanDerWaalsContact O-N 3.15Å; G1160-S1162 VanDerWaalsContact C-N 3.27Å; G1160-S1162 PolarHBondContact O-N 2.78Å
1161H56.3Low56.2Low174 Ų17489.1 Ų89.181%0.80650%0.504SS*.  trans-70.773.5-175.7-55.9-57.2000113.1S1163H1161-S1163 PolarHBondContact O-N 3.32Å
1162S43.5Very low53.8Low82 Ų8293.3 Ų93.357%0.57353%0.533SS*.THydrogen-bonded Turntrans-76.840.9176.259.10000113.4G1160G1160-S1162 VanDerWaalsContact C-N 3.27Å; G1160-S1162 PolarHBondContact O-N 2.78Å
1163S40Very low51Low93 Ų93102.2 Ų102.265%0.6558%0.575SS**THydrogen-bonded Turntrans-150.624.8-178.555.70000113.7H1161 L1165H1161-S1163 PolarHBondContact O-N 3.32Å; S1163-L1165 PolarHBondContact O-N 3.25Å
1164S32.4Very low48.2Very low102 Ų102104.5 Ų104.571%0.71359%0.594SS**  trans-69124.9166.759.70000111
1165L30.4Very low45.5Very low161 Ų161108.3 Ų108.384%0.84362%0.618SS**  trans-51.6151.7-179.8-86.569000113.9S1163S1163-L1165 PolarHBondContact O-N 3.25Å
1166P34.6Very low42.7Very low117 Ų117112.9 Ų112.976%0.7665%0.65SS**  -111.2133.9127.6-10.128.7000113.5
1167T29Very low39.9Very low111 Ų111116.8 Ų116.868%0.68167%0.673SS**  trans-8.7139.1154.348.90000119.7T1169T1167-T1169 PolarHBondContact O-N 3.07Å
1168K30.6Very low37.4Very low220 Ų220116.2 Ų116.296%0.95768%0.678SS**  trans-54.1116.9154-70.5-180178.3177.90109.8
1169T28.4Very low35.3Very low122 Ų122122.5 Ų122.575%0.74871%0.712SS**  trans-108.1127.9159.147.70000109T1167 S1171T1167-T1169 PolarHBondContact O-N 3.07Å; T1169-S1171 PolarHBondContact O-N 2.81Å
1170V29.3Very low32.9Very low144 Ų144127.2 Ų127.287%0.87374%0.742SS**  trans-64.4130.9175.4175.20000109.8
1171S26.2Very low31.3Very low104 Ų104134 Ų13473%0.72777%0.768SS**  trans-106.2135.6159.649.40000109.5T1169T1169-S1171 PolarHBondContact O-N 2.81Å
1172P33.5Very low30Very low123 Ų123130.7 Ų130.780%0.79977%0.765SS**  trans-73.9149.1172.930.9-33.8000111.1
1173Q28.2Very low29.4Very low189 Ų189131.6 Ų131.688%0.88377%0.771SS**  trans-73.1134.2175.6-64.1175.6-57.300111.8
1174I24.4Very low28.9Very low170 Ų170134.3 Ų134.387%0.87278%0.777SS**  trans-136.3146.4142.9-65.5-171.2000107.6
1175C23.3Very low28.9Very low105 Ų105134.8 Ų134.871%0.70978%0.776SS**  trans-85.1163.9-168.9-600000115.1
1176S25.5Very low29.1Very low100 Ų100138.4 Ų138.470%0.69978%0.779SS**  trans84.9143.5136.675.20000121.6
1177N26.8Very low30.1Very low155 Ų155138.1 Ų138.183%0.82978%0.777SS**  trans92.1140.5150.2-65.3-10.7000121.3
1178T27.5Very low30.2Very low114 Ų114139.8 Ų139.870%0.69978%0.78SS**  trans-91.2171.2-174.849.30000112.6
1179N29.3Very low30.1Very low136 Ų136137.9 Ų137.973%0.72777%0.772SS**  trans91.3130.5152-65.6-18.3000120.5
1180T29.3Very low30.3Very low122 Ų122137.4 Ų137.475%0.74877%0.769SS**  trans68.2115.9138.453.10000122.3
1181M29.4Very low30.2Very low170 Ų170138.2 Ų138.284%0.83777%0.768SS**  67.3122.8126.1-70.5-67.7-169.800121.9
1182S29.4Very low31Very low105 Ų105138.9 Ų138.973%0.73477%0.77SS**  90.8129.9129.676.30000122
1183S30.7Very low30.8Very low101 Ų101137.7 Ų137.771%0.70677%0.77SS**  trans58.5116.6131.8-69.80000123.8
1184L29.5Very low31.1Very low149 Ų149141.3 Ų141.378%0.7879%0.787SS**  86.1132.4122.3-67.2171.3000122.6
1185T32.7Very low31.5Very low112 Ų112139.9 Ų139.969%0.68778%0.782SS**  trans69.9102.2141.348.60000123.3
1186R34.3Very low31.9Very low238 Ų238141.7 Ų141.790%0.89879%0.786SS**  78.5152.3125.1-71.7-176.2175.4-176.7-0.3119.7
1187P54.3Low32.2Very low111 Ų111144 Ų14472%0.72179%0.791SS**  trans-104.7-178.7-174.342.2-35.1000112.6
1188I32.3Very low32.6Very low146 Ų146143.4 Ų143.475%0.74979%0.789SS**  trans173.9144.2133.7-96158.3000113.9
1189K29Very low32.9Very low179 Ų179145.2 Ų145.278%0.77880%0.795SS**  trans78.4122.5153.5-93.4166.7-167.41780124.2
1190T32Very low33.1Very low113 Ų113145.8 Ų145.869%0.69380%0.799SS**  43.6150.2119.460.90000122.1
1191L26.7Very low33.4Very low161 Ų161147.5 Ų147.584%0.84380%0.803SS**  cis-156.9174.54.1-107.8152.7000107.7
1192P42.6Very low33.7Very low118 Ų118145.8 Ų145.877%0.76680%0.8SS**  trans-102.7157.7-165.439.5-36.5000116.8
1193A30Very low34.1Very low98 Ų98149.2 Ų149.281%0.8181%0.805SS**  trans-160.9155.7144.800000106.5
1194Q34.7Very low34.4Very low264 Ų264153.5 Ų153.5100%1.23481%0.814SS**  cis-142.707.3-16416913.500110.2

Retrieved 1,194 of 1,194 residues in 688.6 ms (Link to these results)

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