A0A087XRZ1_POEFO Loading...

SH3 domain containing GRB2 like 2a, endophilin A1

AlphaFold DB , UniProt , Accession A0A087XRZ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 363 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
1M54.7Low74.8Confident191 Ų19199.7 Ų99.794%0.94153%0.534SS*.  0120.40-85.4-99.1-90.400108.4L6M1-L6 HydrophobicContact CE-CD1 4.08Å
2S74.1Confident75.5Confident77 Ų7794.3 Ų94.354%0.53850%0.502SS..  trans-77.2156.8-179.973.90000111.7A4 G5 L6S2-A4 PolarHBondContact O-N 2.87Å; S2-G5 WeakPolarHBondContact O-CA 3.41Å; S2-G5 PolarHBondContact O-N 3.25Å; S2-G5 PolarHBondContact OG-N 2.81Å; S2-L6 PolarHBondContact O-N 3.45Å
3V71.9Confident75.6Confident114 Ų11491 Ų9169%0.69150%0.496SS*.Hα-helixtrans-55.4-35.9177.21790000111.8L6 K7V3-L6 PolarHBondContact O-N 2.92Å; V3-K7 PolarHBondContact O-N 3.23Å; V3-K7 VanDerWaalsContact O-N 3.14Å
4A70.6Confident75.9Confident73 Ų7389.1 Ų89.160%0.60349%0.489SS*.Hα-helixtrans-66.7-38.6174.900000112.7S2 K8S2-A4 PolarHBondContact O-N 2.87Å; A4-K8 PolarHBondContact O-N 2.89Å; A4-K8 VanDerWaalsContact O-N 3.16Å
5G73.8Confident76.5Confident26 Ų2683.5 Ų83.527%0.26846%0.458SS..Hα-helixtrans-64.7-38.8174.400000112.7S2 K8 Q9S2-G5 WeakPolarHBondContact O-CA 3.41Å; S2-G5 PolarHBondContact O-N 3.25Å; S2-G5 PolarHBondContact OG-N 2.81Å; G5-K8 PolarHBondContact O-N 3.29Å; G5-Q9 WeakPolarHBondContact O-CG 3.41Å; G5-Q9 PolarHBondContact O-N 2.86Å; G5-Q9 VanDerWaalsContact O-N 3.15Å
6L75.5Confident76.5Confident108 Ų10885.6 Ų85.657%0.56546%0.457SS*.Hα-helixtrans-65.3-45.6177.9-141.883.7000111.9M1 S2 V3 K8 Q9 F10M1-L6 HydrophobicContact CE-CD1 4.08Å; S2-L6 PolarHBondContact O-N 3.45Å; V3-L6 PolarHBondContact O-N 2.92Å; L6-K8 VanDerWaalsContact C-N 3.29Å; L6-K8 PolarHBondContact O-N 3.23Å; L6-Q9 PolarHBondContact O-N 3.17Å; L6-F10 PolarHBondContact O-N 3.48Å; L6-F10 VanDerWaalsContact O-N 3.08Å
7K78.8Confident76.5Confident134 Ų13485.9 Ų85.958%0.58346%0.462SS*.Hα-helixtrans-57.9-42.4174.9-75.7-175.4178.1-177.50111.9V3 Q9 F10 H11V3-K7 PolarHBondContact O-N 3.23Å; V3-K7 VanDerWaalsContact O-N 3.14Å; K7-Q9 PolarHBondContact O-N 2.56Å; K7-F10 WeakPolarHBondContact O-CB 3.48Å; K7-F10 PolarHBondContact O-N 3.27Å; K7-H11 PolarHBondContact O-CD2 2.68Å; K7-H11 VanDerWaalsContact O-CG 3.28Å; K7-H11 PolarHBondContact O-N 3.28Å
8K78.6Confident76.5Confident64 Ų6483.4 Ų83.428%0.27845%0.453SS..Hα-helixtrans-63.1-40.5178.7-168.6169.7-173.8154.50112.7A4 G5 L6 F10 H11 K12 D167A4-K8 PolarHBondContact O-N 2.89Å; A4-K8 VanDerWaalsContact O-N 3.16Å; G5-K8 PolarHBondContact O-N 3.29Å; L6-K8 VanDerWaalsContact C-N 3.29Å; L6-K8 PolarHBondContact O-N 3.23Å; K8-F10 VanDerWaalsContact C-N 3.33Å; K8-H11 PolarHBondContact O-N 2.98Å; K8-K12 WeakPolarHBondContact O-CG 3.41Å; K8-K12 PolarHBondContact O-N 3.21Å; K8-D167 WeakPolarHBondContact CE-OD1 3.27Å; K8-D167 WeakPolarHBondContact CE-OD2 3.39Å; K8-D167 IonicContact NZ-OD1 3.95Å; K8-D167 IonicContact NZ-OD2 2.85Å; K8-D167 PolarHBondContact NZ-OD2 3.39Å
9Q80.3Confident76.9Confident106 Ų10681 Ų8150%0.49544%0.438SS..Hα-helixtrans-65.2-38.4175.1-67.7-62.4-22.400111.8G5 L6 K7 K12 A13G5-Q9 WeakPolarHBondContact O-CG 3.41Å; G5-Q9 PolarHBondContact O-N 2.86Å; G5-Q9 VanDerWaalsContact O-N 3.15Å; L6-Q9 PolarHBondContact O-N 3.17Å; K7-Q9 PolarHBondContact O-N 2.56Å; Q9-K12 PolarHBondContact O-N 2.79Å; Q9-A13 PolarHBondContact O-N 3.41Å
10F80.1Confident76.8Confident148 Ų14886.4 Ų86.465%0.64946%0.457SS*.Hα-helixtrans-62.8-43.3176.3-152.9-89.4000111.9L6 K7 K8 K12 A13 T14L6-F10 PolarHBondContact O-N 3.48Å; L6-F10 VanDerWaalsContact O-N 3.08Å; K7-F10 WeakPolarHBondContact O-CB 3.48Å; K7-F10 PolarHBondContact O-N 3.27Å; K8-F10 VanDerWaalsContact C-N 3.33Å; F10-K12 PolarHBondContact O-N 2.89Å; F10-A13 PolarHBondContact O-N 3.49Å; F10-T14 PolarHBondContact O-N 3.23Å; F10-T14 PolarHBondContact O-OG1 3.25Å
11H84.1Confident76.4Confident56 Ų5688.2 Ų88.226%0.25947%0.471SS..Hα-helixtrans-60-45.1176.5-61.1162.9000112.6K7 K8 A13 T14 Q15 Y170K7-H11 PolarHBondContact O-CD2 2.68Å; K7-H11 VanDerWaalsContact O-CG 3.28Å; K7-H11 PolarHBondContact O-N 3.28Å; K8-H11 PolarHBondContact O-N 2.98Å; H11-A13 VanDerWaalsContact C-N 3.33Å; H11-A13 PolarHBondContact O-N 2.93Å; H11-T14 PolarHBondContact O-N 2.99Å; H11-Q15 PolarHBondContact O-N 2.89Å; H11-Y170 HydrophobicContact CB-CD1 3.93Å; H11-Y170 HydrophobicContact CB-CD2 4.16Å; H11-Y170 HydrophobicContact CB-CE1 3.98Å; H11-Y170 HydrophobicContact CB-CE2 4.19Å; H11-Y170 HydrophobicContact CB-CG 4.03Å; H11-Y170 AromaticContact CD2-CE1 3.81Å; H11-Y170 AromaticContact CD2-CZ 3.59Å; H11-Y170 PolarHBondContact CD2-OH 3.11Å; H11-Y170 AromaticContact CG-CE1 3.63Å; H11-Y170 AromaticContact CG-CZ 3.8Å; H11-Y170 AromaticContact ND1-CE1 3.85Å
12K83.5Confident76.9Confident35 Ų3581.8 Ų81.815%0.15245%0.454CS..Hα-helixtrans-61.1-42.3176.1-66.5177.8-174.6-159.10112K8 Q9 F10 Q15 R16 G163 L166K8-K12 WeakPolarHBondContact O-CG 3.41Å; K8-K12 PolarHBondContact O-N 3.21Å; Q9-K12 PolarHBondContact O-N 2.79Å; F10-K12 PolarHBondContact O-N 2.89Å; K12-Q15 PolarHBondContact O-N 2.96Å; K12-R16 PolarHBondContact O-N 3.22Å; K12-G163 WeakPolarHBondContact CE-O 3.44Å; K12-G163 PolarHBondContact NZ-O 3.01Å; K12-L166 HydrophobicContact CB-CB 4.43Å; K12-L166 HydrophobicContact CG-CB 4.37Å
13A77.5Confident76.6Confident51 Ų5181.4 Ų81.442%0.42146%0.463SS..Hα-helixtrans-64.3-45.4177.400000111.4Q9 F10 H11 Q15 R16 V17Q9-A13 PolarHBondContact O-N 3.41Å; F10-A13 PolarHBondContact O-N 3.49Å; H11-A13 VanDerWaalsContact C-N 3.33Å; H11-A13 PolarHBondContact O-N 2.93Å; A13-Q15 VanDerWaalsContact C-N 3.34Å; A13-Q15 PolarHBondContact O-N 2.9Å; A13-R16 PolarHBondContact O-N 2.97Å; A13-V17 WeakPolarHBondContact O-CG2 3.3Å; A13-V17 PolarHBondContact O-N 3.3Å
14T79.7Confident76.6Confident65 Ų6577.1 Ų77.140%0.39944%0.439SS..Hα-helixtrans-58.8-44.5175.6-56.90000111.7F10 H11 V17 S18 Y170F10-T14 PolarHBondContact O-N 3.23Å; F10-T14 PolarHBondContact O-OG1 3.25Å; H11-T14 PolarHBondContact O-N 2.99Å; T14-V17 PolarHBondContact O-N 3.06Å; T14-S18 WeakPolarHBondContact O-CB 3.22Å; T14-S18 PolarHBondContact O-N 3.33Å; T14-Y170 HydrophobicContact CG2-CE2 4.43Å
15Q84.4Confident76.7Confident4 Ų480.5 Ų80.52%0.01944%0.442CS..Hα-helixtrans-64.3-44.9177.8-177.364.814.400111.9H11 K12 A13 V17 S18 E19 L166 D169 K173H11-Q15 PolarHBondContact O-N 2.89Å; K12-Q15 PolarHBondContact O-N 2.96Å; A13-Q15 VanDerWaalsContact C-N 3.34Å; A13-Q15 PolarHBondContact O-N 2.9Å; Q15-V17 VanDerWaalsContact C-N 3.3Å; Q15-V17 PolarHBondContact O-N 3.27Å; Q15-S18 WeakPolarHBondContact O-CB 3.38Å; Q15-S18 PolarHBondContact O-N 2.88Å; Q15-S18 VanDerWaalsContact O-N 3.12Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.5Å; Q15-E19 PolarHBondContact NE2-OE1 3.49Å; Q15-E19 WeakPolarHBondContact O-CG 3.45Å; Q15-E19 PolarHBondContact O-N 3.46Å; Q15-L166 HydrophobicContact CB-CD2 4.16Å; Q15-L166 HydrophobicContact CG-CB 4.4Å; Q15-L166 HydrophobicContact CG-CD2 3.74Å; Q15-D169 HydrophobicContact CG-CB 4.17Å; Q15-D169 VanDerWaalsContact NE2-CB 3.34Å; Q15-K173 VanDerWaalsContact OE1-NZ 3.07Å
16R77.3Confident76.9Confident118 Ų11880.4 Ų80.445%0.44544%0.441SS..Hα-helixtrans-56.6-43.4175.4-80.7-176.6175.1156.53.4112.8K12 A13 E19 K20 L166K12-R16 PolarHBondContact O-N 3.22Å; A13-R16 PolarHBondContact O-N 2.97Å; R16-E19 PolarHBondContact O-N 3.24Å; R16-K20 WeakPolarHBondContact O-CB 3.36Å; R16-K20 PolarHBondContact O-N 3.35Å; R16-L166 HydrophobicContact CB-CD2 4.5Å; R16-L166 HydrophobicContact CG-CD1 3.47Å; R16-L166 VanDerWaalsContact CG-CD1 3.47Å; R16-L166 HydrophobicContact CG-CD2 3.6Å; R16-L166 HydrophobicContact CG-CG 4.18Å
17V75.7Confident77.3Confident90 Ų9076.7 Ų76.755%0.54542%0.423SS..Hα-helixtrans-66.4-40.8178174.10000110.5A13 T14 Q15 E19 K20 V21A13-V17 WeakPolarHBondContact O-CG2 3.3Å; A13-V17 PolarHBondContact O-N 3.3Å; T14-V17 PolarHBondContact O-N 3.06Å; Q15-V17 VanDerWaalsContact C-N 3.3Å; Q15-V17 PolarHBondContact O-N 3.27Å; V17-E19 VanDerWaalsContact C-N 3.3Å; V17-E19 PolarHBondContact O-N 3.11Å; V17-K20 PolarHBondContact O-N 3.42Å; V17-V21 HydrophobicContact CG1-CG2 4.36Å; V17-V21 WeakPolarHBondContact O-CB 3.26Å; V17-V21 PolarHBondContact O-N 3.13Å
18S77.4Confident77.6Confident42 Ų4277.3 Ų77.329%0.29443%0.425SS..Hα-helixtrans-61.7-35.6175.9177.60000113T14 Q15 G22 G23 A24 K173T14-S18 WeakPolarHBondContact O-CB 3.22Å; T14-S18 PolarHBondContact O-N 3.33Å; Q15-S18 WeakPolarHBondContact O-CB 3.38Å; Q15-S18 PolarHBondContact O-N 2.88Å; Q15-S18 VanDerWaalsContact O-N 3.12Å; S18-G22 CarbonylContact O-C 3.5Å; S18-G22 WeakPolarHBondContact O-CA 3.31Å; S18-G22 PolarHBondContact O-N 3.28Å; S18-G23 PolarHBondContact O-N 2.83Å; S18-A24 PolarHBondContact O-N 2.85Å; S18-A24 WeakPolarHBondContact OG-CB 3.35Å; S18-K173 PolarHBondContact OG-NZ 3.43Å
19E83.5Confident78Confident37 Ų3776.5 Ų76.517%0.17342%0.424CS..Hα-helixtrans-77.7-43178.2-66.7174.4-176.600111.7Q15 R16 V17 A24 R165Q15-E19 WeakPolarHBondContact CG-OE1 3.5Å; Q15-E19 PolarHBondContact NE2-OE1 3.49Å; Q15-E19 WeakPolarHBondContact O-CG 3.45Å; Q15-E19 PolarHBondContact O-N 3.46Å; R16-E19 PolarHBondContact O-N 3.24Å; V17-E19 VanDerWaalsContact C-N 3.3Å; V17-E19 PolarHBondContact O-N 3.11Å; E19-A24 WeakPolarHBondContact CA-O 3.48Å; E19-A24 HydrophobicContact CG-CB 4.48Å; E19-A24 WeakPolarHBondContact CG-O 3.34Å; E19-R165 IonicContact OE1-CZ 3.69Å; E19-R165 IonicContact OE1-NH1 2.85Å; E19-R165 PolarHBondContact OE1-NH1 2.8Å; E19-R165 IonicContact OE1-NH2 3.67Å; E19-R165 IonicContact OE2-CZ 3.62Å; E19-R165 IonicContact OE2-NH1 3.49Å; E19-R165 PolarHBondContact OE2-NH1 2.69Å; E19-R165 IonicContact OE2-NH2 2.84Å; E19-R165 PolarHBondContact OE2-NH2 2.89Å
20K74.6Confident78.4Confident189 Ų18974 Ų7482%0.82241%0.414SS*.Hα-helixtrans-74.6-34.7-178.9-75.2-167.7173.2-168.90114.6R16 V17R16-K20 WeakPolarHBondContact O-CB 3.36Å; R16-K20 PolarHBondContact O-N 3.35Å; V17-K20 PolarHBondContact O-N 3.42Å
21V67.4Low79Confident124 Ų12472.3 Ų72.375%0.75242%0.416SS*.THydrogen-bonded Turntrans-115.8-29.5-171.2-173.60000111.7V17V17-V21 HydrophobicContact CG1-CG2 4.36Å; V17-V21 WeakPolarHBondContact O-CB 3.26Å; V17-V21 PolarHBondContact O-N 3.13Å
22G65.8Low79.4Confident57 Ų5775 Ų7559%0.58843%0.432SS*.SBendtrans-98.94.7-17500000115.2S18 A24S18-G22 CarbonylContact O-C 3.5Å; S18-G22 WeakPolarHBondContact O-CA 3.31Å; S18-G22 PolarHBondContact O-N 3.28Å; G22-A24 PolarHBondContact O-N 3.35Å
23G69.1Low80Confident69 Ų6973.3 Ų73.371%0.71142%0.424SS*.  trans66.715.3176.400000115.2S18S18-G23 PolarHBondContact O-N 2.83Å
24A70.4Confident80.8Confident23 Ų2374.2 Ų74.219%0.1943%0.425CS..PPolyproline II helixtrans-75.8129.7178.500000111.1S18 E19 G22S18-A24 PolarHBondContact O-N 2.85Å; S18-A24 WeakPolarHBondContact OG-CB 3.35Å; E19-A24 WeakPolarHBondContact CA-O 3.48Å; E19-A24 HydrophobicContact CG-CB 4.48Å; E19-A24 WeakPolarHBondContact CG-O 3.34Å; G22-A24 PolarHBondContact O-N 3.35Å
25E73.9Confident81.6Confident145 Ų14575.4 Ų75.468%0.67843%0.426SS*.PPolyproline II helixtrans-74.2132.6173-69.2-160.4142.500110.9K28E25-K28 IonicContact OE1-NZ 2.87Å; E25-K28 PolarHBondContact OE1-NZ 2.69Å; E25-K28 IonicContact OE2-NZ 3.25Å; E25-K28 PolarHBondContact OE2-NZ 3.25Å
26G78.3Confident82.2Confident23 Ų2376.5 Ų76.524%0.23743%0.431CS..PPolyproline II helixtrans-80.1166.9169.800000112.4K28 R165 D169G26-K28 PolarHBondContact O-N 2.95Å; G26-K28 VanDerWaalsContact O-N 3.13Å; G26-R165 VanDerWaalsContact CA-NH1 3.25Å; G26-D169 WeakPolarHBondContact CA-OD2 3.47Å
27T83.7Confident83Confident30 Ų3074.5 Ų74.518%0.18443%0.427CS..PPolyproline II helixtrans-59.3117.3167.8-69.90000109.6R165 D169 F190T27-R165 WeakPolarHBondContact O-CD 3.49Å; T27-D169 WeakPolarHBondContact CB-OD1 3.36Å; T27-D169 PolarHBondContact N-OD1 2.97Å; T27-D169 PolarHBondContact N-OD2 3.29Å; T27-D169 PolarHBondContact OG1-OD1 3.13Å; T27-F190 HydrophobicContact CG2-CE1 4Å; T27-F190 HydrophobicContact CG2-CZ 3.9Å
28K84Confident84Confident147 Ų14777.3 Ų77.364%0.63943%0.432SS*.PPolyproline II helixtrans-74.6134.3-179.4-65.1-178.8-178.7170.20109.6E25 G26E25-K28 IonicContact OE1-NZ 2.87Å; E25-K28 PolarHBondContact OE1-NZ 2.69Å; E25-K28 IonicContact OE2-NZ 3.25Å; E25-K28 PolarHBondContact OE2-NZ 3.25Å; G26-K28 PolarHBondContact O-N 2.95Å; G26-K28 VanDerWaalsContact O-N 3.13Å
29L86.9Confident84.9Confident47 Ų4781.8 Ų81.825%0.24644%0.442CS..PPolyproline II helixtrans-81.5154.9165.8-60.9168.5000108F33 F190 K194L29-F33 HydrophobicContact CB-CB 4.41Å; L29-F33 HydrophobicContact CB-CD1 4.12Å; L29-F33 HydrophobicContact CB-CG 4.39Å; L29-F33 HydrophobicContact CD1-CD1 3.64Å; L29-F33 HydrophobicContact CD1-CE1 3.64Å; L29-F33 HydrophobicContact CD1-CZ 4.48Å; L29-F33 HydrophobicContact CG-CD1 4.3Å; L29-F190 HydrophobicContact CD2-CE2 4.35Å; L29-F190 HydrophobicContact CD2-CZ 3.98Å; L29-K194 HydrophobicContact CD2-CD 4.28Å; L29-K194 HydrophobicContact CD2-CG 4.39Å
30D88.9Confident85.6Confident55 Ų5580.2 Ų80.229%0.29444%0.435SS..PPolyproline II helixtrans-68.8167.7176.259.182.5000111.6D32 F33 T34 K194D30-D32 VanDerWaalsContact C-N 3.34Å; D30-D32 PolarHBondContact OD1-N 3.11Å; D30-F33 WeakPolarHBondContact OD1-CB 3.4Å; D30-F33 PolarHBondContact OD1-N 3.36Å; D30-T34 PolarHBondContact O-N 3.29Å; D30-T34 VanDerWaalsContact O-N 3.17Å; D30-T34 PolarHBondContact O-OG1 2.94Å; D30-K194 WeakPolarHBondContact OD2-CE 3.44Å; D30-K194 IonicContact OD2-NZ 2.68Å; D30-K194 PolarHBondContact OD2-NZ 3.44Å
31V92.9Very high86.6Confident112 Ų11275.2 Ų75.268%0.67942%0.417SS*.Hα-helixtrans-65.4-41.1-175.3179.50000110.7T34 E35V31-T34 PolarHBondContact O-N 3.29Å; V31-E35 WeakPolarHBondContact O-CB 3.49Å; V31-E35 PolarHBondContact O-N 3.42Å
32D93.5Very high88Confident112 Ų11272.3 Ų72.360%0.59940%0.4SS*.Hα-helixtrans-64.8-44.1-177.2-59.2-26.7000110.6D30 T34 E35 M36D30-D32 VanDerWaalsContact C-N 3.34Å; D30-D32 PolarHBondContact OD1-N 3.11Å; D32-T34 PolarHBondContact O-N 2.91Å; D32-E35 PolarHBondContact O-N 2.93Å; D32-M36 WeakPolarHBondContact O-CG 3.47Å; D32-M36 PolarHBondContact O-N 2.72Å
33F95.8Very high89.4Confident0 Ų071.5 Ų71.50%038%0.384CS..Hα-helixtrans-58.3-47.8173.6-169.7-75.3000111.7L29 D30 E35 M36 E37 L158 L161 K194 A197 E198 M201L29-F33 HydrophobicContact CB-CB 4.41Å; L29-F33 HydrophobicContact CB-CD1 4.12Å; L29-F33 HydrophobicContact CB-CG 4.39Å; L29-F33 HydrophobicContact CD1-CD1 3.64Å; L29-F33 HydrophobicContact CD1-CE1 3.64Å; L29-F33 HydrophobicContact CD1-CZ 4.48Å; L29-F33 HydrophobicContact CG-CD1 4.3Å; D30-F33 WeakPolarHBondContact OD1-CB 3.4Å; D30-F33 PolarHBondContact OD1-N 3.36Å; F33-E35 VanDerWaalsContact C-N 3.29Å; F33-E35 PolarHBondContact O-N 3.44Å; F33-M36 PolarHBondContact O-N 2.83Å; F33-E37 WeakPolarHBondContact O-CB 3.38Å; F33-E37 PolarHBondContact O-N 3.06Å; F33-L158 HydrophobicContact CE1-CD2 4.03Å; F33-L158 HydrophobicContact CZ-CD2 3.84Å; F33-L161 HydrophobicContact CE1-CD2 3.98Å; F33-L161 HydrophobicContact CE2-CD2 3.95Å; F33-L161 HydrophobicContact CZ-CD2 3.29Å; F33-K194 HydrophobicContact CD2-CG 4.08Å; F33-K194 HydrophobicContact CE2-CG 3.85Å; F33-A197 HydrophobicContact CE2-CB 4.3Å; F33-A197 HydrophobicContact CZ-CB 4.14Å; F33-E198 HydrophobicContact CD2-CB 4Å; F33-E198 HydrophobicContact CD2-CG 4.06Å; F33-E198 HydrophobicContact CE2-CB 3.92Å; F33-E198 HydrophobicContact CE2-CG 4.47Å; F33-M201 HydrophobicContact CD1-CE 4.15Å; F33-M201 HydrophobicContact CD2-CE 3.91Å; F33-M201 HydrophobicContact CE1-CE 3.76Å; F33-M201 HydrophobicContact CE2-CE 3.53Å; F33-M201 HydrophobicContact CG-CE 4.21Å; F33-M201 HydrophobicContact CZ-CE 3.43Å; F33-M201 VanDerWaalsContact CZ-CE 3.43Å
34T93.8Very high90.7Very high70 Ų7068.8 Ų68.843%0.42935%0.354SS..Hα-helixtrans-65.3-35.7-178.5-50.80000111.3D30 V31 D32 K38D30-T34 PolarHBondContact O-N 3.29Å; D30-T34 VanDerWaalsContact O-N 3.17Å; D30-T34 PolarHBondContact O-OG1 2.94Å; V31-T34 PolarHBondContact O-N 3.29Å; D32-T34 PolarHBondContact O-N 2.91Å; T34-K38 WeakPolarHBondContact O-CB 3.25Å; T34-K38 PolarHBondContact O-N 3.02Å; T34-K38 VanDerWaalsContact O-N 3.11Å
35E96Very high92Very high89 Ų8974.5 Ų74.542%0.41637%0.37SS..Hα-helixtrans-67.9-44.5174.9-174.7172.3173.300111.7V31 D32 F33 K38 R39V31-E35 WeakPolarHBondContact O-CB 3.49Å; V31-E35 PolarHBondContact O-N 3.42Å; D32-E35 PolarHBondContact O-N 2.93Å; F33-E35 VanDerWaalsContact C-N 3.29Å; F33-E35 PolarHBondContact O-N 3.44Å; E35-K38 PolarHBondContact O-N 3.44Å; E35-R39 WeakPolarHBondContact O-CG 3.28Å; E35-R39 PolarHBondContact O-N 3.37Å; E35-R39 IonicContact OE1-CZ 3.33Å; E35-R39 IonicContact OE1-NE 3.25Å; E35-R39 PolarHBondContact OE1-NE 3.2Å; E35-R39 IonicContact OE1-NH2 2.69Å; E35-R39 PolarHBondContact OE1-NH2 3.49Å
36M96.4Very high93Very high27 Ų2769.5 Ų69.513%0.13335%0.354CS..Hα-helixtrans-60.5-46.1175.1-74.2-170.7-74.800111.7D32 F33 K38 R39 V40 E198 M201 F202 L205D32-M36 WeakPolarHBondContact O-CG 3.47Å; D32-M36 PolarHBondContact O-N 2.72Å; F33-M36 PolarHBondContact O-N 2.83Å; M36-K38 VanDerWaalsContact C-N 3.3Å; M36-K38 PolarHBondContact O-N 3.38Å; M36-R39 PolarHBondContact O-N 3.13Å; M36-R39 VanDerWaalsContact O-N 3.13Å; M36-V40 WeakPolarHBondContact O-CG2 3.39Å; M36-V40 PolarHBondContact O-N 3.35Å; M36-E198 HydrophobicContact CE-CG 3.68Å; M36-M201 HydrophobicContact CB-CB 4.27Å; M36-M201 HydrophobicContact CB-CE 4.1Å; M36-M201 HydrophobicContact CB-SD 4.25Å; M36-F202 HydrophobicContact SD-CB 4.26Å; M36-F202 HydrophobicContact SD-CD2 4.48Å; M36-L205 HydrophobicContact CB-CD1 4.04Å; M36-L205 HydrophobicContact CG-CD1 3.89Å
37E95.9Very high93.8Very high77 Ų7768.7 Ų68.736%0.3634%0.344SS..Hα-helixtrans-56.5-45.4176.6-177.8177.7-15100111.3F33 R39 V40 D41 L158 M201F33-E37 WeakPolarHBondContact O-CB 3.38Å; F33-E37 PolarHBondContact O-N 3.06Å; E37-R39 PolarHBondContact O-N 3.16Å; E37-V40 PolarHBondContact O-N 3.26Å; E37-D41 PolarHBondContact O-N 3.09Å; E37-L158 HydrophobicContact CG-CD1 4.21Å; E37-L158 HydrophobicContact CG-CD2 4.42Å; E37-M201 VanDerWaalsContact CA-SD 3.6Å; E37-M201 HydrophobicContact CB-SD 4.08Å
38K96.8Very high94.4Very high148 Ų14870.9 Ų70.964%0.64336%0.355SS*.Hα-helixtrans-63-41.3176.9-177.3-176.3176.6-172.90112.5T34 E35 M36 T42T34-K38 WeakPolarHBondContact O-CB 3.25Å; T34-K38 PolarHBondContact O-N 3.02Å; T34-K38 VanDerWaalsContact O-N 3.11Å; E35-K38 PolarHBondContact O-N 3.44Å; M36-K38 VanDerWaalsContact C-N 3.3Å; M36-K38 PolarHBondContact O-N 3.38Å; K38-T42 WeakPolarHBondContact O-CB 3.43Å; K38-T42 PolarHBondContact O-N 2.91Å; K38-T42 PolarHBondContact O-OG1 2.81Å
39R96.3Very high95Very high136 Ų13668.3 Ų68.351%0.51335%0.348SS..Hα-helixtrans-64.7-46.7177.4-72.9179.5-177-158.14.2110.6E35 M36 E37 D41 T42 T43 L205E35-R39 WeakPolarHBondContact O-CG 3.28Å; E35-R39 PolarHBondContact O-N 3.37Å; E35-R39 IonicContact OE1-CZ 3.33Å; E35-R39 IonicContact OE1-NE 3.25Å; E35-R39 PolarHBondContact OE1-NE 3.2Å; E35-R39 IonicContact OE1-NH2 2.69Å; E35-R39 PolarHBondContact OE1-NH2 3.49Å; M36-R39 PolarHBondContact O-N 3.13Å; M36-R39 VanDerWaalsContact O-N 3.13Å; E37-R39 PolarHBondContact O-N 3.16Å; R39-D41 PolarHBondContact O-N 3.36Å; R39-T42 WeakPolarHBondContact O-CB 3.46Å; R39-T42 PolarHBondContact O-N 3.06Å; R39-T43 PolarHBondContact O-N 3.07Å; R39-T43 PolarHBondContact O-OG1 2.97Å; R39-T43 VanDerWaalsContact O-OG1 3.04Å; R39-L205 HydrophobicContact CB-CD1 4.02Å; R39-L205 HydrophobicContact CB-CD2 3.88Å
40V96.6Very high95.5Very high5 Ų569.2 Ų69.23%0.0335%0.353CS..Hα-helixtrans-62.7-42.5177.7174.20000112.4M36 E37 T42 T43 S44 L151 I154 M201 L204 L205M36-V40 WeakPolarHBondContact O-CG2 3.39Å; M36-V40 PolarHBondContact O-N 3.35Å; E37-V40 PolarHBondContact O-N 3.26Å; V40-T42 VanDerWaalsContact C-N 3.31Å; V40-T42 PolarHBondContact O-N 3.3Å; V40-T43 PolarHBondContact O-N 3.43Å; V40-S44 WeakPolarHBondContact O-CB 3.42Å; V40-S44 PolarHBondContact O-N 3.42Å; V40-L151 HydrophobicContact CG1-CD2 3.91Å; V40-I154 HydrophobicContact CG1-CD1 4.47Å; V40-I154 HydrophobicContact CG1-CG2 3.92Å; V40-M201 HydrophobicContact CG2-CB 4Å; V40-M201 HydrophobicContact CG2-CG 3.89Å; V40-M201 HydrophobicContact CG2-SD 4.38Å; V40-L204 HydrophobicContact CG1-CD2 4.03Å; V40-L204 HydrophobicContact CG2-CD2 4Å; V40-L205 HydrophobicContact CG2-CD1 4.2Å; V40-L205 HydrophobicContact CG2-CD2 4.19Å; V40-L205 HydrophobicContact CG2-CG 4.11Å
41D96.5Very high95.9Very high83 Ų8367.8 Ų67.844%0.44434%0.344SS..Hα-helixtrans-58.8-44.5173.817377.9000111.6E37 R39 S44 R45E37-D41 PolarHBondContact O-N 3.09Å; R39-D41 PolarHBondContact O-N 3.36Å; D41-S44 PolarHBondContact O-N 3.21Å; D41-R45 PolarHBondContact O-N 2.9Å; D41-R45 IonicContact OD1-NE 2.8Å; D41-R45 IonicContact OD2-CZ 3.67Å; D41-R45 VanDerWaalsContact OD2-CZ 3.27Å; D41-R45 IonicContact OD2-NE 2.6Å; D41-R45 PolarHBondContact OD2-NE 3.13Å; D41-R45 IonicContact OD2-NH2 3.22Å; D41-R45 PolarHBondContact OD2-NH2 3.09Å
42T96.8Very high96Very high64 Ų6465.1 Ų65.139%0.39333%0.328SS..Hα-helixtrans-63.7-44.8178.5-56.60000110.9K38 R39 V40 S44 R45 A46K38-T42 WeakPolarHBondContact O-CB 3.43Å; K38-T42 PolarHBondContact O-N 2.91Å; K38-T42 PolarHBondContact O-OG1 2.81Å; R39-T42 WeakPolarHBondContact O-CB 3.46Å; R39-T42 PolarHBondContact O-N 3.06Å; V40-T42 VanDerWaalsContact C-N 3.31Å; V40-T42 PolarHBondContact O-N 3.3Å; T42-S44 VanDerWaalsContact C-N 3.34Å; T42-S44 PolarHBondContact O-N 3.37Å; T42-R45 PolarHBondContact O-N 3.24Å; T42-A46 VanDerWaalsContact O-CB 3.32Å; T42-A46 WeakPolarHBondContact O-CB 3.42Å; T42-A46 PolarHBondContact O-N 2.95Å
43T95.4Very high96.2Very high40 Ų4064.8 Ų64.825%0.24532%0.322CS..Hα-helixtrans-58.3-45.5174.1-59.30000111R39 V40 R45 A46 V47R39-T43 PolarHBondContact O-N 3.07Å; R39-T43 PolarHBondContact O-OG1 2.97Å; R39-T43 VanDerWaalsContact O-OG1 3.04Å; V40-T43 PolarHBondContact O-N 3.43Å; T43-R45 PolarHBondContact O-N 2.87Å; T43-A46 PolarHBondContact O-N 3.23Å; T43-V47 HydrophobicContact CG2-CG2 4.15Å; T43-V47 WeakPolarHBondContact O-CB 3.49Å; T43-V47 VanDerWaalsContact O-CG2 3.23Å; T43-V47 WeakPolarHBondContact O-CG2 3.44Å; T43-V47 PolarHBondContact O-N 3.29Å
44S95.6Very high96.3Very high11 Ų1165.4 Ų65.48%0.07733%0.325CS..Hα-helixtrans-59.3-44.9178.7-170.90000112.6V40 D41 T42 L48 Q155V40-S44 WeakPolarHBondContact O-CB 3.42Å; V40-S44 PolarHBondContact O-N 3.42Å; D41-S44 PolarHBondContact O-N 3.21Å; T42-S44 VanDerWaalsContact C-N 3.34Å; T42-S44 PolarHBondContact O-N 3.37Å; S44-L48 PolarHBondContact O-N 3.45Å; S44-Q155 PolarHBondContact OG-NE2 2.82Å
45R96.9Very high96.4Very high143 Ų14363.1 Ų63.154%0.5431%0.311SS..Hα-helixtrans-68.3-41.5177.9-72.1-173.6-73.7111.22111.7D41 T42 T43 D49D41-R45 PolarHBondContact O-N 2.9Å; D41-R45 IonicContact OD1-NE 2.8Å; D41-R45 IonicContact OD2-CZ 3.67Å; D41-R45 VanDerWaalsContact OD2-CZ 3.27Å; D41-R45 IonicContact OD2-NE 2.6Å; D41-R45 PolarHBondContact OD2-NE 3.13Å; D41-R45 IonicContact OD2-NH2 3.22Å; D41-R45 PolarHBondContact OD2-NH2 3.09Å; T42-R45 PolarHBondContact O-N 3.24Å; T43-R45 PolarHBondContact O-N 2.87Å; R45-D49 VanDerWaalsContact O-CB 3.32Å; R45-D49 WeakPolarHBondContact O-CB 3.31Å; R45-D49 PolarHBondContact O-N 3.42Å
46A96.3Very high96.4Very high41 Ų4161.9 Ų61.934%0.33931%0.306SS..Hα-helixtrans-63-46.1178.100000111.9T42 T43 L48 D49 I50T42-A46 VanDerWaalsContact O-CB 3.32Å; T42-A46 WeakPolarHBondContact O-CB 3.42Å; T42-A46 PolarHBondContact O-N 2.95Å; T43-A46 PolarHBondContact O-N 3.23Å; A46-L48 PolarHBondContact O-N 3.34Å; A46-D49 PolarHBondContact O-N 2.9Å; A46-I50 HydrophobicContact CB-CD1 4.38Å; A46-I50 VanDerWaalsContact O-CB 3.3Å; A46-I50 WeakPolarHBondContact O-CB 3.42Å; A46-I50 WeakPolarHBondContact O-CD1 3.28Å; A46-I50 WeakPolarHBondContact O-CG1 3.45Å; A46-I50 PolarHBondContact O-N 3.13Å
47V95.5Very high96.4Very high5 Ų565.6 Ų65.63%0.0332%0.319CS..Hα-helixtrans-58-49.8178.7168.60000110.7T43 M51 M143 L146 H147 L151T43-V47 HydrophobicContact CG2-CG2 4.15Å; T43-V47 WeakPolarHBondContact O-CB 3.49Å; T43-V47 VanDerWaalsContact O-CG2 3.23Å; T43-V47 WeakPolarHBondContact O-CG2 3.44Å; T43-V47 PolarHBondContact O-N 3.29Å; V47-M51 WeakPolarHBondContact O-CB 3.36Å; V47-M51 PolarHBondContact O-N 2.8Å; V47-M143 HydrophobicContact CB-CE 3.99Å; V47-M143 HydrophobicContact CG1-CB 4.25Å; V47-M143 HydrophobicContact CG1-CE 3.88Å; V47-M143 WeakPolarHBondContact CG1-O 3.33Å; V47-M143 HydrophobicContact CG1-SD 4.23Å; V47-M143 HydrophobicContact CG2-CE 3.79Å; V47-M143 HydrophobicContact CG2-SD 4.27Å; V47-L146 HydrophobicContact CG2-CD2 3.79Å; V47-H147 HydrophobicContact CG1-CB 3.98Å; V47-L151 HydrophobicContact CB-CD1 4.41Å; V47-L151 HydrophobicContact CG2-CD1 4.35Å
48L95.3Very high96.4Very high76 Ų7662 Ų6240%0.39830%0.302SS..Hα-helixtrans-65.4-45.3-178.7-177.562.7000112.6S44 A46 M51 T52S44-L48 PolarHBondContact O-N 3.45Å; A46-L48 PolarHBondContact O-N 3.34Å; L48-M51 HydrophobicContact CD1-CE 4.04Å; L48-T52 WeakPolarHBondContact O-CB 3.44Å; L48-T52 PolarHBondContact O-N 2.74Å; L48-T52 PolarHBondContact O-OG1 3.12Å
49D97.5Very high96.3Very high94 Ų9455.6 Ų55.650%0.50327%0.274SS..Hα-helixtrans-65.9-51.3-179.5-171.955.4000111.2R45 A46 M51 T52 K53R45-D49 VanDerWaalsContact O-CB 3.32Å; R45-D49 WeakPolarHBondContact O-CB 3.31Å; R45-D49 PolarHBondContact O-N 3.42Å; A46-D49 PolarHBondContact O-N 2.9Å; D49-M51 PolarHBondContact O-N 3.14Å; D49-T52 WeakPolarHBondContact O-CB 3.45Å; D49-T52 PolarHBondContact O-N 3.41Å; D49-T52 VanDerWaalsContact O-N 3.15Å; D49-K53 WeakPolarHBondContact O-CG 3.5Å; D49-K53 PolarHBondContact O-N 3.06Å
50I97.5Very high96.2Very high66 Ų6653.5 Ų53.534%0.33828%0.279SS..Hα-helixtrans-61.6-44.6-179.6-62.7167.8000110.4A46 T52 K53 T54 F139A46-I50 HydrophobicContact CB-CD1 4.38Å; A46-I50 VanDerWaalsContact O-CB 3.3Å; A46-I50 WeakPolarHBondContact O-CB 3.42Å; A46-I50 WeakPolarHBondContact O-CD1 3.28Å; A46-I50 WeakPolarHBondContact O-CG1 3.45Å; A46-I50 PolarHBondContact O-N 3.13Å; I50-T52 VanDerWaalsContact C-N 3.3Å; I50-T52 PolarHBondContact O-N 3.38Å; I50-K53 PolarHBondContact O-N 3.27Å; I50-T54 WeakPolarHBondContact O-CB 3.47Å; I50-T54 PolarHBondContact O-N 3.19Å; I50-T54 PolarHBondContact O-OG1 3.31Å; I50-F139 HydrophobicContact CG2-CE1 4.36Å; I50-F139 HydrophobicContact CG2-CZ 3.75Å
51M95.6Very high96Very high24 Ų2457.4 Ų57.412%0.11830%0.299CS..Hα-helixtrans-59.3-42.2177.2-178.2-175.668.700111.8V47 L48 D49 T55 I140 M143 Q144V47-M51 WeakPolarHBondContact O-CB 3.36Å; V47-M51 PolarHBondContact O-N 2.8Å; L48-M51 HydrophobicContact CD1-CE 4.04Å; D49-M51 PolarHBondContact O-N 3.14Å; M51-T55 WeakPolarHBondContact O-CB 3.43Å; M51-T55 PolarHBondContact O-N 3.25Å; M51-T55 VanDerWaalsContact O-N 3.08Å; M51-T55 PolarHBondContact O-OG1 2.86Å; M51-I140 HydrophobicContact CG-CG2 3.98Å; M51-I140 HydrophobicContact SD-CG2 4.29Å; M51-M143 HydrophobicContact SD-CB 4.4Å; M51-Q144 HydrophobicContact SD-CB 3.77Å; M51-Q144 HydrophobicContact SD-CG 4.43Å
52T95.6Very high95.8Very high56 Ų5657.8 Ų57.834%0.34431%0.306SS..Hα-helixtrans-64.1-48.4176.8-57.70000110.3L48 D49 I50 T54 T55 E56L48-T52 WeakPolarHBondContact O-CB 3.44Å; L48-T52 PolarHBondContact O-N 2.74Å; L48-T52 PolarHBondContact O-OG1 3.12Å; D49-T52 WeakPolarHBondContact O-CB 3.45Å; D49-T52 PolarHBondContact O-N 3.41Å; D49-T52 VanDerWaalsContact O-N 3.15Å; I50-T52 VanDerWaalsContact C-N 3.3Å; I50-T52 PolarHBondContact O-N 3.38Å; T52-T54 PolarHBondContact O-N 3.27Å; T52-T55 WeakPolarHBondContact O-CB 3.43Å; T52-T55 PolarHBondContact O-N 3.31Å; T52-T55 VanDerWaalsContact O-N 3.13Å; T52-E56 WeakPolarHBondContact O-CG 3.47Å; T52-E56 PolarHBondContact O-N 3.4Å
53K97.8Very high95.4Very high106 Ų10657.8 Ų57.846%0.46131%0.313SS..Hα-helixtrans-65.2-36.6179.8-65.2-57.4172.3-166.50113.5D49 I50 T55 E56 Y57D49-K53 WeakPolarHBondContact O-CG 3.5Å; D49-K53 PolarHBondContact O-N 3.06Å; I50-K53 PolarHBondContact O-N 3.27Å; K53-T55 VanDerWaalsContact C-N 3.32Å; K53-T55 PolarHBondContact O-N 3.39Å; K53-E56 VanDerWaalsContact CD-OE2 3.3Å; K53-E56 WeakPolarHBondContact CD-OE2 3.28Å; K53-E56 IonicContact NZ-OE2 3.28Å; K53-E56 PolarHBondContact NZ-OE2 3.13Å; K53-E56 PolarHBondContact O-N 3.49Å; K53-Y57 VanDerWaalsContact O-CB 3.29Å; K53-Y57 WeakPolarHBondContact O-CB 3.42Å; K53-Y57 PolarHBondContact O-N 2.81Å
54T97.7Very high95.1Very high12 Ų1256.9 Ų56.97%0.07431%0.307CS..Hα-helixtrans-63.9-40.3172.4-61.30000111.1I50 T52 Y57 L58 V135 F139 I140 L218I50-T54 WeakPolarHBondContact O-CB 3.47Å; I50-T54 PolarHBondContact O-N 3.19Å; I50-T54 PolarHBondContact O-OG1 3.31Å; T52-T54 PolarHBondContact O-N 3.27Å; T54-Y57 WeakPolarHBondContact O-CB 3.38Å; T54-Y57 PolarHBondContact O-N 3.06Å; T54-L58 HydrophobicContact CG2-CD1 4.36Å; T54-L58 WeakPolarHBondContact O-CG 3.32Å; T54-L58 PolarHBondContact O-N 3.35Å; T54-V135 HydrophobicContact CG2-CG1 3.56Å; T54-F139 HydrophobicContact CG2-CD1 3.87Å; T54-F139 HydrophobicContact CG2-CE1 3.89Å; T54-F139 WeakPolarHBondContact OG1-CE1 3.43Å; T54-I140 HydrophobicContact CG2-CD1 4.46Å; T54-I140 HydrophobicContact CG2-CG1 4.48Å; T54-L218 HydrophobicContact CG2-CD1 3.94Å
55T95.6Very high94.9Very high23 Ų2359.3 Ų59.314%0.14132%0.315CS..Hα-helixtrans-65.1-40.2177-57.50000111.8M51 T52 K53 Q59 R65 M68M51-T55 WeakPolarHBondContact O-CB 3.43Å; M51-T55 PolarHBondContact O-N 3.25Å; M51-T55 VanDerWaalsContact O-N 3.08Å; M51-T55 PolarHBondContact O-OG1 2.86Å; T52-T55 WeakPolarHBondContact O-CB 3.43Å; T52-T55 PolarHBondContact O-N 3.31Å; T52-T55 VanDerWaalsContact O-N 3.13Å; K53-T55 VanDerWaalsContact C-N 3.32Å; K53-T55 PolarHBondContact O-N 3.39Å; T55-Q59 PolarHBondContact O-N 2.96Å; T55-Q59 VanDerWaalsContact O-N 3.11Å; T55-R65 HydrophobicContact CG2-CG 3.53Å; T55-M68 HydrophobicContact CG2-CE 3.79Å; T55-M68 HydrophobicContact CG2-SD 4.43Å
56E96Very high94.5Very high63 Ų6355 Ų5529%0.29431%0.309SS..Hα-helixtrans-65.5-38.8173.2-67.2-177.316200112.6T52 K53 Q59 P60 R65T52-E56 WeakPolarHBondContact O-CG 3.47Å; T52-E56 PolarHBondContact O-N 3.4Å; K53-E56 VanDerWaalsContact CD-OE2 3.3Å; K53-E56 WeakPolarHBondContact CD-OE2 3.28Å; K53-E56 IonicContact NZ-OE2 3.28Å; K53-E56 PolarHBondContact NZ-OE2 3.13Å; K53-E56 PolarHBondContact O-N 3.49Å; E56-Q59 CarbonylContact O-C 3.49Å; E56-P60 WeakPolarHBondContact O-CA 3.26Å; E56-P60 VanDerWaalsContact O-N 3.13Å; E56-R65 IonicContact OE1-NH1 3.53Å
57Y97.1Very high94Very high105 Ų10558.3 Ų58.341%0.41232%0.316SS..Hα-helixtrans-64.6-47177.3159.1-101.7000112.1K53 T54 Q222K53-Y57 VanDerWaalsContact O-CB 3.29Å; K53-Y57 WeakPolarHBondContact O-CB 3.42Å; K53-Y57 PolarHBondContact O-N 2.81Å; T54-Y57 WeakPolarHBondContact O-CB 3.38Å; T54-Y57 PolarHBondContact O-N 3.06Å; Y57-Q222 VanDerWaalsContact CZ-NE2 3.33Å; Y57-Q222 PolarHBondContact OH-NE2 2.93Å
58L95.6Very high93.5Very high2 Ų258.1 Ų58.11%0.0132%0.315CS..Hα-helixtrans-66.1-41.9179-67.8173.7000111.6T54 M68 K128 L131 D132 V135 I140T54-L58 HydrophobicContact CG2-CD1 4.36Å; T54-L58 WeakPolarHBondContact O-CG 3.32Å; T54-L58 PolarHBondContact O-N 3.35Å; L58-M68 HydrophobicContact CB-CE 3.92Å; L58-M68 HydrophobicContact CD1-CE 3.71Å; L58-M68 HydrophobicContact CG-CE 4.49Å; L58-K128 PolarHBondContact O-NZ 3.15Å; L58-L131 HydrophobicContact CD2-CD2 3.95Å; L58-L131 HydrophobicContact CD2-CG 3.9Å; L58-D132 WeakPolarHBondContact CD2-OD1 3.27Å; L58-V135 HydrophobicContact CD1-CB 3.82Å; L58-V135 HydrophobicContact CD1-CG1 3.66Å; L58-V135 HydrophobicContact CD2-CB 4.33Å; L58-V135 HydrophobicContact CD2-CG2 4.28Å; L58-V135 HydrophobicContact CG-CG1 4.47Å; L58-I140 HydrophobicContact CD1-CD1 3.98Å
59Q95.3Very high92.8Very high12 Ų1258.3 Ų58.36%0.05632%0.322CS..  trans-133.187.6-177.3-70-59.5-28.200111.2T55 E56 N61 T64 R65 M68 Y86 Q88 D132T55-Q59 PolarHBondContact O-N 2.96Å; T55-Q59 VanDerWaalsContact O-N 3.11Å; E56-Q59 CarbonylContact O-C 3.49Å; Q59-N61 VanDerWaalsContact C-N 3.26Å; Q59-N61 PolarHBondContact O-N 2.94Å; Q59-T64 HydrophobicContact CG-CG2 4.11Å; Q59-R65 HydrophobicContact CB-CB 4.05Å; Q59-R65 HydrophobicContact CB-CG 4.4Å; Q59-R65 PolarHBondContact O-NE 3.4Å; Q59-R65 PolarHBondContact O-NH2 2.84Å; Q59-M68 HydrophobicContact CG-CB 4.47Å; Q59-M68 HydrophobicContact CG-CE 4.46Å; Q59-Y86 HydrophobicContact CG-CE2 4.4Å; Q59-Y86 VanDerWaalsContact NE2-CE2 3.35Å; Q59-Q88 VanDerWaalsContact NE2-OE1 3.11Å; Q59-D132 PolarHBondContact NE2-OD2 3.01Å
60P94.8Very high91.7Very high93 Ų9361.3 Ų61.360%0.60434%0.336SS*.  trans-61.5-34.9176.4-25.735.6000112.4E56 P62 R65E56-P60 WeakPolarHBondContact O-CA 3.26Å; E56-P60 VanDerWaalsContact O-N 3.13Å; P60-P62 WeakPolarHBondContact O-CD 3.34Å; P60-R65 PolarHBondContact O-NH2 3.31Å
61N91.9Very high90.4Very high86 Ų8659.5 Ų59.546%0.4633%0.326SS..SBendtrans-69.1119.9176.4-175.8-30.5000111Q59 A63 T64 R65Q59-N61 VanDerWaalsContact C-N 3.26Å; Q59-N61 PolarHBondContact O-N 2.94Å; N61-A63 VanDerWaalsContact C-N 3.33Å; N61-A63 PolarHBondContact O-N 3.49Å; N61-A63 WeakPolarHBondContact OD1-CB 3.46Å; N61-A63 PolarHBondContact OD1-N 2.85Å; N61-T64 PolarHBondContact O-N 3.22Å; N61-R65 WeakPolarHBondContact O-CB 3.44Å; N61-R65 PolarHBondContact O-N 3.04Å
62P92.3Very high88.7Confident92 Ų9261.4 Ų61.460%0.59734%0.342SS*.Hα-helixtrans-58.9-36.8-179.3-25.134.8000114.7P60 R65 A66P60-P62 WeakPolarHBondContact O-CD 3.34Å; P62-R65 WeakPolarHBondContact O-CB 3.41Å; P62-R65 PolarHBondContact O-N 2.86Å; P62-A66 PolarHBondContact O-N 2.92Å
63A88.4Confident86.7Confident64 Ų6462 Ų6253%0.52935%0.348SS..Hα-helixtrans-67.4-42.3-179.200000111.2N61 K67N61-A63 VanDerWaalsContact C-N 3.33Å; N61-A63 PolarHBondContact O-N 3.49Å; N61-A63 WeakPolarHBondContact OD1-CB 3.46Å; N61-A63 PolarHBondContact OD1-N 2.85Å; A63-K67 PolarHBondContact O-N 2.7Å
64T89.1Confident84.1Confident21 Ų2163.7 Ų63.713%0.12936%0.359CS..Hα-helixtrans-69.4-39.7176.6-48.20000111.5Q59 N61 A66 K67 M68 Y86Q59-T64 HydrophobicContact CG-CG2 4.11Å; N61-T64 PolarHBondContact O-N 3.22Å; T64-A66 VanDerWaalsContact C-N 3.33Å; T64-A66 PolarHBondContact O-N 2.88Å; T64-K67 WeakPolarHBondContact O-CB 3.42Å; T64-K67 PolarHBondContact O-N 2.8Å; T64-K67 VanDerWaalsContact O-N 3.15Å; T64-M68 PolarHBondContact O-N 3.34Å; T64-Y86 HydrophobicContact CG2-CD1 3.79Å; T64-Y86 HydrophobicContact CG2-CD2 3.13Å; T64-Y86 HydrophobicContact CG2-CE1 4.1Å; T64-Y86 HydrophobicContact CG2-CE2 3.48Å; T64-Y86 VanDerWaalsContact CG2-CE2 3.48Å; T64-Y86 HydrophobicContact CG2-CG 3.29Å
65R91.6Very high81.8Confident62 Ų6266.4 Ų66.423%0.23438%0.379CS..Hα-helixtrans-57.9-44175.1-164.8-170.4-56.1162.63.4112.5T55 E56 Q59 P60 N61 P62 K67 M68 S69T55-R65 HydrophobicContact CG2-CG 3.53Å; E56-R65 IonicContact OE1-NH1 3.53Å; Q59-R65 HydrophobicContact CB-CB 4.05Å; Q59-R65 HydrophobicContact CB-CG 4.4Å; Q59-R65 PolarHBondContact O-NE 3.4Å; Q59-R65 PolarHBondContact O-NH2 2.84Å; P60-R65 PolarHBondContact O-NH2 3.31Å; N61-R65 WeakPolarHBondContact O-CB 3.44Å; N61-R65 PolarHBondContact O-N 3.04Å; P62-R65 WeakPolarHBondContact O-CB 3.41Å; P62-R65 PolarHBondContact O-N 2.86Å; R65-K67 VanDerWaalsContact C-N 3.31Å; R65-K67 PolarHBondContact O-N 3.48Å; R65-M68 PolarHBondContact O-N 2.88Å; R65-S69 PolarHBondContact O-N 3.37Å
66A87.4Confident79.5Confident51 Ų5172.1 Ų72.142%0.42140%0.398SS..Hα-helixtrans-60-42.1176.400000111.7P62 T64 S69 M70P62-A66 PolarHBondContact O-N 2.92Å; T64-A66 VanDerWaalsContact C-N 3.33Å; T64-A66 PolarHBondContact O-N 2.88Å; A66-S69 PolarHBondContact O-N 2.86Å; A66-M70 WeakPolarHBondContact O-CG 3.5Å; A66-M70 PolarHBondContact O-N 3.45Å
67K86.3Confident76.9Confident112 Ų11276.7 Ų76.749%0.48742%0.421SS..Hα-helixtrans-64.2-41.2175.1-66.9178176.6-175.50112.2A63 T64 R65 S69 M70 M71 Y86A63-K67 PolarHBondContact O-N 2.7Å; T64-K67 WeakPolarHBondContact O-CB 3.42Å; T64-K67 PolarHBondContact O-N 2.8Å; T64-K67 VanDerWaalsContact O-N 3.15Å; R65-K67 VanDerWaalsContact C-N 3.31Å; R65-K67 PolarHBondContact O-N 3.48Å; K67-S69 VanDerWaalsContact C-N 3.35Å; K67-S69 PolarHBondContact O-N 2.84Å; K67-M70 PolarHBondContact O-N 3.35Å; K67-M70 VanDerWaalsContact O-N 3.15Å; K67-M71 PolarHBondContact O-N 3.23Å; K67-Y86 HydrophobicContact CB-CD1 3.81Å; K67-Y86 HydrophobicContact CB-CE1 4.42Å; K67-Y86 HydrophobicContact CD-CD1 4.5Å
68M84.8Confident74.4Confident1 Ų182.9 Ų82.91%0.00544%0.443CS..Hα-helixtrans-62.8-39.7176.8-172.8-97.9-9300112.3T55 L58 Q59 T64 R65 M70 M71 Y86 K136 I140T55-M68 HydrophobicContact CG2-CE 3.79Å; T55-M68 HydrophobicContact CG2-SD 4.43Å; L58-M68 HydrophobicContact CB-CE 3.92Å; L58-M68 HydrophobicContact CD1-CE 3.71Å; L58-M68 HydrophobicContact CG-CE 4.49Å; Q59-M68 HydrophobicContact CG-CB 4.47Å; Q59-M68 HydrophobicContact CG-CE 4.46Å; T64-M68 PolarHBondContact O-N 3.34Å; R65-M68 PolarHBondContact O-N 2.88Å; M68-M70 VanDerWaalsContact C-N 3.27Å; M68-M70 PolarHBondContact O-N 3.14Å; M68-M71 WeakPolarHBondContact O-CB 3.47Å; M68-M71 PolarHBondContact O-N 3.15Å; M68-M71 VanDerWaalsContact O-N 3.09Å; M68-Y86 HydrophobicContact CB-CE1 3.77Å; M68-Y86 HydrophobicContact CG-CE1 4.42Å; M68-Y86 WeakPolarHBondContact CG-OH 3.47Å; M68-K136 HydrophobicContact SD-CD 4.04Å; M68-I140 HydrophobicContact CE-CD1 4.17Å; M68-I140 HydrophobicContact SD-CD1 4.35Å
69S80.5Confident71.8Confident79 Ų7986.1 Ų86.155%0.55248%0.477SS*.Hα-helixtrans-63.7-31.8174.3-176.50000112.8R65 A66 K67 M71R65-S69 PolarHBondContact O-N 3.37Å; A66-S69 PolarHBondContact O-N 2.86Å; K67-S69 VanDerWaalsContact C-N 3.35Å; K67-S69 PolarHBondContact O-N 2.84Å; S69-M71 PolarHBondContact O-N 3.14Å
70M75.4Confident69.2Low158 Ų15891.8 Ų91.878%0.77850%0.504SS*.THydrogen-bonded Turntrans-79.9-3.3176.6-66.9-178.8-177.200113.2A66 K67 M68 S72A66-M70 WeakPolarHBondContact O-CG 3.5Å; A66-M70 PolarHBondContact O-N 3.45Å; K67-M70 PolarHBondContact O-N 3.35Å; K67-M70 VanDerWaalsContact O-N 3.15Å; M68-M70 VanDerWaalsContact C-N 3.27Å; M68-M70 PolarHBondContact O-N 3.14Å; M70-S72 PolarHBondContact O-N 3.47Å; M70-S72 VanDerWaalsContact O-N 3.1Å
71M70.5Confident66.8Low28 Ų2897 Ų9714%0.13852%0.52CS..  trans-70.9107.2178.3-166170.460.200109.7K67 M68 S69 P84 M133 K136K67-M71 PolarHBondContact O-N 3.23Å; M68-M71 WeakPolarHBondContact O-CB 3.47Å; M68-M71 PolarHBondContact O-N 3.15Å; M68-M71 VanDerWaalsContact O-N 3.09Å; S69-M71 PolarHBondContact O-N 3.14Å; M71-P84 HydrophobicContact SD-CB 4.01Å; M71-M133 HydrophobicContact CE-CG 4.13Å; M71-M133 HydrophobicContact SD-CE 4.48Å; M71-M133 HydrophobicContact SD-CG 4.3Å; M71-K136 HydrophobicContact CE-CB 3.93Å; M71-K136 HydrophobicContact CE-CG 3.79Å; M71-K136 PolarHBondContact O-NZ 2.9Å
72S59.2Low65Low64 Ų64100.8 Ų100.845%0.44853%0.532SS..  trans-74.5129.3175.849.50000111.1M70 M74 S75M70-S72 PolarHBondContact O-N 3.47Å; M70-S72 VanDerWaalsContact O-N 3.1Å; S72-M74 PolarHBondContact O-N 2.81Å; S72-S75 PolarHBondContact O-N 3.26Å; S72-S75 VanDerWaalsContact O-N 3.09Å; S72-S75 PolarHBondContact OG-OG 2.92Å
73S54Low63.5Low68 Ų6898.5 Ų98.548%0.47653%0.526SS..G310 helixtrans-56.9-17.8173.4-21.60000112.6D141S73-D141 PolarHBondContact OG-OD2 3.47Å
74M42Very low62.5Low142 Ų14295.9 Ų95.970%0.750%0.503SS*.G310 helixtrans-81-9.6178.2-66.8-173.9-178.900115.5S72 R76 M77S72-M74 PolarHBondContact O-N 2.81Å; M74-R76 PolarHBondContact O-N 3.42Å; M74-M77 HydrophobicContact CB-CE 4.34Å; M74-M77 HydrophobicContact CG-CE 3.98Å; M74-M77 PolarHBondContact O-N 3.26Å
75S49.2Very low61.9Low69 Ų6997.8 Ų97.848%0.48353%0.528SS..G310 helixtrans-69.1-13.8-176.5-68.20000114.4S72S72-S75 PolarHBondContact O-N 3.26Å; S72-S75 VanDerWaalsContact O-N 3.09Å; S72-S75 PolarHBondContact OG-OG 2.92Å
76R48Very low61.7Low143 Ų14395.7 Ų95.754%0.5452%0.52SS..G310 helixtrans-86.8-19.9175-79.1-174.9170.7169.3-5.4114.6M74 R78 G79 M133M74-R76 PolarHBondContact O-N 3.42Å; R76-R78 PolarHBondContact O-N 3.09Å; R76-R78 VanDerWaalsContact O-N 3.1Å; R76-G79 PolarHBondContact O-N 3.31Å; R76-M133 VanDerWaalsContact CZ-CE 3.47Å; R76-M133 VanDerWaalsContact NE-CE 3.34Å; R76-M133 VanDerWaalsContact NH2-CE 3.31Å; R76-M133 PolarHBondContact NH2-SD 3.2Å
77M40.9Very low61.8Low159 Ų15997.2 Ų97.278%0.78352%0.524SS*.THydrogen-bonded Turntrans-68.4-10-179.2-89.4-167.4-7800114.2M74M74-M77 HydrophobicContact CB-CE 4.34Å; M74-M77 HydrophobicContact CG-CE 3.98Å; M74-M77 PolarHBondContact O-N 3.26Å
78R44.4Very low62.2Low234 Ų23492.1 Ų92.188%0.88350%0.502SS*.THydrogen-bonded Turntrans-108.27.8-179.6-109.6-175.3-172.4-138.82.5115.4R76 Q80R76-R78 PolarHBondContact O-N 3.09Å; R76-R78 VanDerWaalsContact O-N 3.1Å; R78-Q80 PolarHBondContact O-N 3.21Å
79G41.6Very low62.7Low70 Ų7097 Ų9772%0.72253%0.532SS*.THydrogen-bonded Turntrans65.220.4173.600000115.2R76R76-G79 PolarHBondContact O-N 3.31Å
80Q40.7Very low63.5Low131 Ų13195 Ų9561%0.61251%0.513SS*.  trans-99.4105.9168.3-81.2-174.2-19.100108.7R78 K82R78-Q80 PolarHBondContact O-N 3.21Å; Q80-K82 PolarHBondContact O-N 3.03Å
81E44.9Very low64.5Low204 Ų20488.4 Ų88.495%0.95348%0.482SS*.  trans-66.462.2168-66.8-175.8148.200110.7
82K53.6Low65.7Low164 Ų16491.6 Ų91.671%0.71350%0.499SS*.  trans-86.7113.4161.7-71.4-174177.2-178.20105.3Q80Q80-K82 PolarHBondContact O-N 3.03Å
83G60.7Low67.6Low44 Ų4492.6 Ų92.645%0.45450%0.499SS..  trans-53.6-174.4169.100000111.6G85G83-G85 PolarHBondContact O-N 3.15Å
84P67.2Low69.7Low9 Ų989.4 Ų89.46%0.05848%0.476CS..SBendtrans-64.12.5-165.122.8-31.7000116.3M71 Y86 D129M71-P84 HydrophobicContact SD-CB 4.01Å; P84-Y86 VanDerWaalsContact C-N 3.27Å; P84-Y86 HydrophobicContact CB-CD1 4.02Å; P84-Y86 HydrophobicContact CB-CD2 4.47Å; P84-Y86 HydrophobicContact CB-CE1 3.53Å; P84-Y86 HydrophobicContact CB-CE2 4.03Å; P84-Y86 HydrophobicContact CB-CG 4.47Å; P84-Y86 HydrophobicContact CG-CD2 4.31Å; P84-Y86 HydrophobicContact CG-CE1 4.35Å; P84-Y86 HydrophobicContact CG-CE2 3.98Å; P84-Y86 WeakPolarHBondContact O-CD1 3.41Å; P84-Y86 WeakPolarHBondContact O-CE1 3.44Å; P84-Y86 PolarHBondContact O-N 3.16Å; P84-D129 HydrophobicContact CG-CB 4.17Å; P84-D129 WeakPolarHBondContact CG-OD1 3.44Å
85G78.1Confident72.3Confident62 Ų6288 Ų8864%0.63947%0.468SS*.SBendtrans80.512.3175.800000113.2G83G83-G85 PolarHBondContact O-N 3.15Å
86Y86.8Confident74.6Confident18 Ų1886.7 Ų86.77%0.07146%0.459CS..SBendtrans-146160.6173.853.9-100.2000109.5Q59 T64 K67 M68 P84 D132Q59-Y86 HydrophobicContact CG-CE2 4.4Å; Q59-Y86 VanDerWaalsContact NE2-CE2 3.35Å; T64-Y86 HydrophobicContact CG2-CD1 3.79Å; T64-Y86 HydrophobicContact CG2-CD2 3.13Å; T64-Y86 HydrophobicContact CG2-CE1 4.1Å; T64-Y86 HydrophobicContact CG2-CE2 3.48Å; T64-Y86 VanDerWaalsContact CG2-CE2 3.48Å; T64-Y86 HydrophobicContact CG2-CG 3.29Å; K67-Y86 HydrophobicContact CB-CD1 3.81Å; K67-Y86 HydrophobicContact CB-CE1 4.42Å; K67-Y86 HydrophobicContact CD-CD1 4.5Å; M68-Y86 HydrophobicContact CB-CE1 3.77Å; M68-Y86 HydrophobicContact CG-CE1 4.42Å; M68-Y86 WeakPolarHBondContact CG-OH 3.47Å; P84-Y86 VanDerWaalsContact C-N 3.27Å; P84-Y86 HydrophobicContact CB-CD1 4.02Å; P84-Y86 HydrophobicContact CB-CD2 4.47Å; P84-Y86 HydrophobicContact CB-CE1 3.53Å; P84-Y86 HydrophobicContact CB-CE2 4.03Å; P84-Y86 HydrophobicContact CB-CG 4.47Å; P84-Y86 HydrophobicContact CG-CD2 4.31Å; P84-Y86 HydrophobicContact CG-CE1 4.35Å; P84-Y86 HydrophobicContact CG-CE2 3.98Å; P84-Y86 WeakPolarHBondContact O-CD1 3.41Å; P84-Y86 WeakPolarHBondContact O-CE1 3.44Å; P84-Y86 PolarHBondContact O-N 3.16Å; Y86-D132 PolarHBondContact OH-OD2 2.9Å
87T89.9Confident77Confident82 Ų8282 Ų8250%0.50344%0.444SS..  trans-100.9133.8-177.7-47.50000109.6T91 I92T87-T91 HydrophobicContact CG2-CG2 3.81Å; T87-I92 HydrophobicContact CG2-CD1 4.43Å; T87-I92 HydrophobicContact CG2-CG1 3.79Å
88Q93.8Very high79.7Confident5 Ų575.5 Ų75.52%0.02341%0.412CS..  trans-73.1153.1174-58.4-67.8-9.900111.1Q59 E90 T91 I92 K128 D129 D132Q59-Q88 VanDerWaalsContact NE2-OE1 3.11Å; Q88-E90 VanDerWaalsContact C-N 3.26Å; Q88-E90 PolarHBondContact O-N 2.9Å; Q88-T91 WeakPolarHBondContact O-CB 3.41Å; Q88-T91 PolarHBondContact O-N 3.13Å; Q88-I92 WeakPolarHBondContact O-CG1 3.45Å; Q88-I92 PolarHBondContact O-N 3.27Å; Q88-K128 HydrophobicContact CB-CG 4.46Å; Q88-K128 VanDerWaalsContact CD-CG 3.47Å; Q88-K128 HydrophobicContact CG-CB 4.13Å; Q88-K128 HydrophobicContact CG-CG 3.94Å; Q88-D129 WeakPolarHBondContact CG-OD1 3.41Å; Q88-D129 PolarHBondContact NE2-OD1 3.36Å; Q88-D132 PolarHBondContact NE2-OD2 3.45Å
89T95.6Very high82.3Confident104 Ų10470.8 Ų70.864%0.63839%0.394SS*.Hα-helixtrans-60.9-35.9179.738.30000113.2I92 L93T89-I92 PolarHBondContact O-N 2.82Å; T89-L93 PolarHBondContact O-N 2.99Å
90E96.8Very high85Confident36 Ų3671.9 Ų71.917%0.16838%0.379CS..Hα-helixtrans-63.5-43.1178.5-62.888.714700110.2Q88 L93 G94 M121 L124Q88-E90 VanDerWaalsContact C-N 3.26Å; Q88-E90 PolarHBondContact O-N 2.9Å; E90-L93 PolarHBondContact O-N 3.08Å; E90-G94 PolarHBondContact O-N 3.44Å; E90-M121 CarbonylContact C-O 3.53Å; E90-M121 WeakPolarHBondContact CB-O 3.39Å; E90-L124 HydrophobicContact CB-CB 4.28Å; E90-L124 HydrophobicContact CG-CB 4.36Å
91T96.3Very high87.7Confident20 Ų2065.6 Ų65.612%0.12335%0.35CS..Hα-helixtrans-62.1-45.1174.6-54.90000111.6T87 Q88 L93 G94 E95 R122T87-T91 HydrophobicContact CG2-CG2 3.81Å; Q88-T91 WeakPolarHBondContact O-CB 3.41Å; Q88-T91 PolarHBondContact O-N 3.13Å; T91-L93 VanDerWaalsContact C-N 3.32Å; T91-L93 PolarHBondContact O-N 3.04Å; T91-G94 PolarHBondContact O-N 3.03Å; T91-G94 VanDerWaalsContact O-N 3.16Å; T91-E95 WeakPolarHBondContact O-CG 3.28Å; T91-E95 PolarHBondContact O-N 3.12Å; T91-R122 HydrophobicContact CG2-CG 4.43Å
92I96.4Very high90.2Very high96 Ų9664 Ų6449%0.49234%0.335SS..Hα-helixtrans-60.8-43.1178.5-62.1168.4000110.8T87 Q88 T89 S96T87-I92 HydrophobicContact CG2-CD1 4.43Å; T87-I92 HydrophobicContact CG2-CG1 3.79Å; Q88-I92 WeakPolarHBondContact O-CG1 3.45Å; Q88-I92 PolarHBondContact O-N 3.27Å; T89-I92 PolarHBondContact O-N 2.82Å; I92-S96 PolarHBondContact O-N 2.97Å
93L98Very high92.3Very high85 Ų8562.6 Ų62.645%0.44533%0.331SS..Hα-helixtrans-62.3-44.8175.3-178.761000111.3T89 E90 T91 E95 S96 M97 M121T89-L93 PolarHBondContact O-N 2.99Å; E90-L93 PolarHBondContact O-N 3.08Å; T91-L93 VanDerWaalsContact C-N 3.32Å; T91-L93 PolarHBondContact O-N 3.04Å; L93-E95 PolarHBondContact O-N 2.76Å; L93-S96 PolarHBondContact O-N 3.06Å; L93-M97 HydrophobicContact CD1-CE 3.88Å; L93-M97 HydrophobicContact CD2-CE 4.14Å; L93-M97 HydrophobicContact CG-CE 3.92Å; L93-M97 HydrophobicContact CG-SD 4.31Å; L93-M97 WeakPolarHBondContact O-CG 3.41Å; L93-M97 PolarHBondContact O-N 2.89Å; L93-M121 HydrophobicContact CD2-CG 4.31Å; L93-M121 HydrophobicContact CD2-SD 4.07Å; L93-M121 HydrophobicContact CG-CG 4.46Å
94G98Very high94Very high0 Ų064.4 Ų64.40%033%0.33CS..Hα-helixtrans-60.4-44178.700000113.3E90 T91 S96 M97 Q98 G118E90-G94 PolarHBondContact O-N 3.44Å; T91-G94 PolarHBondContact O-N 3.03Å; T91-G94 VanDerWaalsContact O-N 3.16Å; G94-S96 VanDerWaalsContact C-N 3.35Å; G94-S96 PolarHBondContact O-N 2.99Å; G94-M97 PolarHBondContact O-N 3.45Å; G94-Q98 WeakPolarHBondContact O-CG 3.26Å; G94-Q98 PolarHBondContact O-N 2.95Å; G94-G118 WeakPolarHBondContact CA-O 3.41Å
95E97.4Very high95Very high112 Ų11265.4 Ų65.452%0.52334%0.341SS..Hα-helixtrans-59.7-43.9176.2-74177.217300112T91 L93 Q98 R99T91-E95 WeakPolarHBondContact O-CG 3.28Å; T91-E95 PolarHBondContact O-N 3.12Å; L93-E95 PolarHBondContact O-N 2.76Å; E95-Q98 PolarHBondContact O-N 2.79Å; E95-R99 WeakPolarHBondContact O-CB 3.35Å; E95-R99 PolarHBondContact O-N 3.19Å
96S98.2Very high95.7Very high43 Ų4370.6 Ų70.630%0.30135%0.349SS..Hα-helixtrans-63.8-45.4178.2-168.40000111.8I92 L93 G94 R99 F100I92-S96 PolarHBondContact O-N 2.97Å; L93-S96 PolarHBondContact O-N 3.06Å; G94-S96 VanDerWaalsContact C-N 3.35Å; G94-S96 PolarHBondContact O-N 2.99Å; S96-R99 PolarHBondContact O-N 2.9Å; S96-R99 PolarHBondContact OG-NH2 3.33Å; S96-F100 VanDerWaalsContact O-CD2 3.27Å; S96-F100 WeakPolarHBondContact O-CD2 3.45Å; S96-F100 PolarHBondContact O-N 3.46Å; S96-F100 VanDerWaalsContact O-N 3.12Å
97M98.4Very high95.8Very high45 Ų4577.8 Ų77.822%0.22239%0.388CS..Hα-helixtrans-62.1-44.1177.4-70.5179.417000111.9L93 G94 G101 L114 V117 M121L93-M97 HydrophobicContact CD1-CE 3.88Å; L93-M97 HydrophobicContact CD2-CE 4.14Å; L93-M97 HydrophobicContact CG-CE 3.92Å; L93-M97 HydrophobicContact CG-SD 4.31Å; L93-M97 WeakPolarHBondContact O-CG 3.41Å; L93-M97 PolarHBondContact O-N 2.89Å; G94-M97 PolarHBondContact O-N 3.45Å; M97-G101 WeakPolarHBondContact O-CA 3.42Å; M97-G101 PolarHBondContact O-N 3.28Å; M97-L114 HydrophobicContact CB-CD2 4.25Å; M97-L114 WeakPolarHBondContact CB-O 3.48Å; M97-L114 HydrophobicContact CG-CD2 4.11Å; M97-V117 HydrophobicContact CE-CG1 4.07Å; M97-V117 HydrophobicContact SD-CB 4.1Å; M97-V117 HydrophobicContact SD-CG1 3.47Å; M97-V117 WeakPolarHBondContact SD-CG1 3.23Å; M97-M121 HydrophobicContact SD-CG 4.21Å
98Q97.9Very high96Very high22 Ų2275.3 Ų75.310%0.10338%0.375CS..Hα-helixtrans-64.9-41.2177.7-73.6-175.9-9.300112.4G94 E95 G101 R102 E119G94-Q98 WeakPolarHBondContact O-CG 3.26Å; G94-Q98 PolarHBondContact O-N 2.95Å; E95-Q98 PolarHBondContact O-N 2.79Å; Q98-G101 PolarHBondContact O-N 3.38Å; Q98-R102 WeakPolarHBondContact O-CG 3.4Å; Q98-R102 PolarHBondContact O-N 3.44Å; Q98-R102 VanDerWaalsContact O-N 3.1Å; Q98-E119 VanDerWaalsContact NE2-N 3.16Å
99R97.9Very high95.9Very high135 Ų13577.8 Ų77.851%0.50939%0.388SS..Hα-helixtrans-57.8-57.4176.9175.8-177.857.9177.9-6.4110.8E95 S96 G101 R102 E103E95-R99 WeakPolarHBondContact O-CB 3.35Å; E95-R99 PolarHBondContact O-N 3.19Å; S96-R99 PolarHBondContact O-N 2.9Å; S96-R99 PolarHBondContact OG-NH2 3.33Å; R99-G101 VanDerWaalsContact C-N 3.32Å; R99-G101 PolarHBondContact O-N 3.04Å; R99-R102 PolarHBondContact O-N 3.31Å; R99-E103 PolarHBondContact O-N 2.99Å; R99-E103 VanDerWaalsContact O-N 3.15Å
100F98Very high95.9Very high92 Ų9279 Ų7940%0.40439%0.385SS..Hα-helixtrans-69.6-30.4-178-70.6-60.2000113S96 R102 E103 L104S96-F100 VanDerWaalsContact O-CD2 3.27Å; S96-F100 WeakPolarHBondContact O-CD2 3.45Å; S96-F100 PolarHBondContact O-N 3.46Å; S96-F100 VanDerWaalsContact O-N 3.12Å; F100-R102 VanDerWaalsContact C-N 3.3Å; F100-R102 PolarHBondContact O-N 2.87Å; F100-E103 WeakPolarHBondContact CD1-OE2 3.44Å; F100-E103 PolarHBondContact O-N 3.03Å; F100-L104 WeakPolarHBondContact O-CG 3.44Å; F100-L104 PolarHBondContact O-N 3.44Å
101G97.8Very high95.8Very high0 Ų077.3 Ų77.30%038%0.377CS..Hα-helixtrans-60.1-39.717300000112.6M97 Q98 R99 G111M97-G101 WeakPolarHBondContact O-CA 3.42Å; M97-G101 PolarHBondContact O-N 3.28Å; Q98-G101 PolarHBondContact O-N 3.38Å; R99-G101 VanDerWaalsContact C-N 3.32Å; R99-G101 PolarHBondContact O-N 3.04Å; G101-G111 WeakPolarHBondContact CA-O 3.08Å
102R97.3Very high95.8Very high169 Ų16978.7 Ų78.764%0.63838%0.383SS*.Hα-helixtrans-70.3-40.6174.3-67.7174.4-158.8-90.61.5112.4Q98 R99 F100 L104 G105 I115Q98-R102 WeakPolarHBondContact O-CG 3.4Å; Q98-R102 PolarHBondContact O-N 3.44Å; Q98-R102 VanDerWaalsContact O-N 3.1Å; R99-R102 PolarHBondContact O-N 3.31Å; F100-R102 VanDerWaalsContact C-N 3.3Å; F100-R102 PolarHBondContact O-N 2.87Å; R102-L104 VanDerWaalsContact C-N 3.28Å; R102-L104 PolarHBondContact O-N 3.44Å; R102-G105 PolarHBondContact O-N 2.94Å; R102-G105 VanDerWaalsContact O-N 3.09Å; R102-I115 HydrophobicContact CG-CD1 4.09Å; R102-I115 HydrophobicContact CG-CG1 4.49Å
103E97.6Very high95.8Very high136 Ų13675.7 Ų75.764%0.63637%0.369SS*.Hα-helixtrans-62.9-33.1178.5-72177-16000113R99 F100 G105R99-E103 PolarHBondContact O-N 2.99Å; R99-E103 VanDerWaalsContact O-N 3.15Å; F100-E103 WeakPolarHBondContact CD1-OE2 3.44Å; F100-E103 PolarHBondContact O-N 3.03Å; E103-G105 PolarHBondContact O-N 3.32Å
104L95.9Very high95.8Very high82 Ų8273 Ų7343%0.42936%0.355SS..THydrogen-bonded Turntrans-68.2-15.7175.2-75.9166.5000113.8F100 R102 F110 L114F100-L104 WeakPolarHBondContact O-CG 3.44Å; F100-L104 PolarHBondContact O-N 3.44Å; R102-L104 VanDerWaalsContact C-N 3.28Å; R102-L104 PolarHBondContact O-N 3.44Å; L104-F110 HydrophobicContact CD1-CD1 3.5Å; L104-F110 VanDerWaalsContact CD1-CD1 3.5Å; L104-F110 HydrophobicContact CD1-CE1 3.83Å; L104-F110 HydrophobicContact CD1-CG 4.45Å; L104-L114 HydrophobicContact CD1-CD1 3.71Å
105G89.8Confident95.8Very high29 Ų2975 Ų7530%0.29937%0.365SS..  trans78.3161.7178.800000114.4R102 E103 D107 S108R102-G105 PolarHBondContact O-N 2.94Å; R102-G105 VanDerWaalsContact O-N 3.09Å; E103-G105 PolarHBondContact O-N 3.32Å; G105-D107 PolarHBondContact O-N 2.88Å; G105-S108 PolarHBondContact O-N 2.99Å; G105-S108 VanDerWaalsContact O-N 3.16Å
106E91.6Very high95.8Very high172 Ų17271.5 Ų71.580%0.80435%0.35SS*.THydrogen-bonded Turntrans-68-17.9-173.6-60.4-178.6172.700113.6S108E106-S108 VanDerWaalsContact C-N 3.3Å
107D89.8Confident95.8Very high168 Ų16870.7 Ų70.790%0.89834%0.343SS*.THydrogen-bonded Turntrans-78-14.6177.2-70.9-37.5000113.2G105G105-D107 PolarHBondContact O-N 2.88Å
108S93Very high95.8Very high30 Ų3068.5 Ų68.521%0.2133%0.333CS..  trans-89.9111.4-178.8-177.90000110.9G105 E106 F110 G111 L112G105-S108 PolarHBondContact O-N 2.99Å; G105-S108 VanDerWaalsContact O-N 3.16Å; E106-S108 VanDerWaalsContact C-N 3.3Å; S108-F110 PolarHBondContact O-N 2.86Å; S108-G111 WeakPolarHBondContact O-CA 3.37Å; S108-G111 PolarHBondContact O-N 2.86Å; S108-G111 PolarHBondContact OG-N 3.41Å; S108-G111 VanDerWaalsContact OG-N 3.12Å; S108-L112 WeakPolarHBondContact O-CG 3.03Å; S108-L112 PolarHBondContact O-N 3.31Å
109N92.1Very high95.8Very high58 Ų5871.1 Ų71.131%0.3135%0.345SS..Hα-helixtrans-57.1-34.5172.3-69.7-62.5000111.8V113N109-V113 VanDerWaalsContact O-CG2 3.27Å; N109-V113 WeakPolarHBondContact O-CG2 3.37Å; N109-V113 PolarHBondContact O-N 3.02Å
110F94.9Very high95.9Very high129 Ų12965 Ų6557%0.56632%0.324SS*.Hα-helixtrans-66.4-42174.6177.5-124000111.7L104 S108 V113 L114L104-F110 HydrophobicContact CD1-CD1 3.5Å; L104-F110 VanDerWaalsContact CD1-CD1 3.5Å; L104-F110 HydrophobicContact CD1-CE1 3.83Å; L104-F110 HydrophobicContact CD1-CG 4.45Å; S108-F110 PolarHBondContact O-N 2.86Å; F110-V113 PolarHBondContact O-N 3.45Å; F110-L114 HydrophobicContact CD1-CD1 4.01Å; F110-L114 HydrophobicContact CD2-CD1 4.44Å; F110-L114 HydrophobicContact CD2-CG 4.28Å; F110-L114 HydrophobicContact CE1-CD1 3.53Å; F110-L114 HydrophobicContact CE1-CG 4.31Å; F110-L114 HydrophobicContact CE2-CD1 4.02Å; F110-L114 HydrophobicContact CE2-CD2 4.15Å; F110-L114 HydrophobicContact CE2-CG 3.87Å; F110-L114 HydrophobicContact CG-CD1 4.44Å; F110-L114 HydrophobicContact CZ-CD1 3.54Å; F110-L114 HydrophobicContact CZ-CD2 4.12Å; F110-L114 HydrophobicContact CZ-CG 3.89Å; F110-L114 WeakPolarHBondContact O-CB 3.08Å; F110-L114 WeakPolarHBondContact O-CG 3.32Å; F110-L114 PolarHBondContact O-N 3.39Å
111G96.1Very high95.9Very high0 Ų061.9 Ų61.90%031%0.311CS..Hα-helixtrans-60.9-44.8175.500000112.5G101 S108 L114 I115G101-G111 WeakPolarHBondContact CA-O 3.08Å; S108-G111 WeakPolarHBondContact O-CA 3.37Å; S108-G111 PolarHBondContact O-N 2.86Å; S108-G111 PolarHBondContact OG-N 3.41Å; S108-G111 VanDerWaalsContact OG-N 3.12Å; G111-L114 WeakPolarHBondContact O-CB 3.37Å; G111-L114 PolarHBondContact O-N 3.22Å; G111-I115 WeakPolarHBondContact O-CG1 3.37Å; G111-I115 PolarHBondContact O-N 3.01Å
112L95.6Very high95.9Very high49 Ų4965.8 Ų65.826%0.25733%0.325SS..Hα-helixtrans-63.7-42.3176.1-62.4178.2000112.4S108 L114 I115 D116 R243S108-L112 WeakPolarHBondContact O-CG 3.03Å; S108-L112 PolarHBondContact O-N 3.31Å; L112-L114 VanDerWaalsContact C-N 3.35Å; L112-I115 PolarHBondContact O-N 3.45Å; L112-D116 PolarHBondContact O-N 3.23Å; L112-R243 VanDerWaalsContact CB-NH1 3.3Å; L112-R243 VanDerWaalsContact CD1-NH1 3.27Å
113V96.8Very high95.9Very high33 Ų3361.1 Ų61.120%0.231%0.311CS..Hα-helixtrans-63-41.5174.4172.30000111.3N109 F110 I115 D116 V117 I240 R243N109-V113 VanDerWaalsContact O-CG2 3.27Å; N109-V113 WeakPolarHBondContact O-CG2 3.37Å; N109-V113 PolarHBondContact O-N 3.02Å; F110-V113 PolarHBondContact O-N 3.45Å; V113-I115 VanDerWaalsContact C-N 3.26Å; V113-I115 PolarHBondContact O-N 3.44Å; V113-D116 PolarHBondContact O-N 3.43Å; V113-V117 HydrophobicContact CG1-CG2 3.9Å; V113-V117 WeakPolarHBondContact O-CB 3.5Å; V113-V117 VanDerWaalsContact O-CG2 3.23Å; V113-V117 WeakPolarHBondContact O-CG2 3.45Å; V113-V117 PolarHBondContact O-N 3.25Å; V113-I240 HydrophobicContact CG1-CD1 4.41Å; V113-I240 HydrophobicContact CG1-CG1 4.33Å; V113-R243 HydrophobicContact CG2-CG 4.49Å
114L97.9Very high95.9Very high28 Ų2855.4 Ų55.415%0.14728%0.284CS..Hα-helixtrans-60-37.8176.5-80.9173.5000112.1M97 L104 F110 G111 L112 G118M97-L114 HydrophobicContact CB-CD2 4.25Å; M97-L114 WeakPolarHBondContact CB-O 3.48Å; M97-L114 HydrophobicContact CG-CD2 4.11Å; L104-L114 HydrophobicContact CD1-CD1 3.71Å; F110-L114 HydrophobicContact CD1-CD1 4.01Å; F110-L114 HydrophobicContact CD2-CD1 4.44Å; F110-L114 HydrophobicContact CD2-CG 4.28Å; F110-L114 HydrophobicContact CE1-CD1 3.53Å; F110-L114 HydrophobicContact CE1-CG 4.31Å; F110-L114 HydrophobicContact CE2-CD1 4.02Å; F110-L114 HydrophobicContact CE2-CD2 4.15Å; F110-L114 HydrophobicContact CE2-CG 3.87Å; F110-L114 HydrophobicContact CG-CD1 4.44Å; F110-L114 HydrophobicContact CZ-CD1 3.54Å; F110-L114 HydrophobicContact CZ-CD2 4.12Å; F110-L114 HydrophobicContact CZ-CG 3.89Å; F110-L114 WeakPolarHBondContact O-CB 3.08Å; F110-L114 WeakPolarHBondContact O-CG 3.32Å; F110-L114 PolarHBondContact O-N 3.39Å; G111-L114 WeakPolarHBondContact O-CB 3.37Å; G111-L114 PolarHBondContact O-N 3.22Å; L112-L114 VanDerWaalsContact C-N 3.35Å; L114-G118 PolarHBondContact O-N 3.42Å
115I98Very high96Very high43 Ų4351.5 Ų51.522%0.22126%0.264CS..Hα-helixtrans-64.9-48.7174.7-65.9167.9000110.5R102 G111 L112 V113 V117 G118 E119R102-I115 HydrophobicContact CG-CD1 4.09Å; R102-I115 HydrophobicContact CG-CG1 4.49Å; G111-I115 WeakPolarHBondContact O-CG1 3.37Å; G111-I115 PolarHBondContact O-N 3.01Å; L112-I115 PolarHBondContact O-N 3.45Å; V113-I115 VanDerWaalsContact C-N 3.26Å; V113-I115 PolarHBondContact O-N 3.44Å; I115-V117 PolarHBondContact O-N 3.45Å; I115-G118 PolarHBondContact O-N 3.46Å; I115-E119 PolarHBondContact O-N 3.04Å
116D97.7Very high96.2Very high38 Ų3855.6 Ų55.620%0.20328%0.275CS..Hα-helixtrans-60.7-45.3179.9-67.5-22.7000111.5L112 V113 E119 A120 L236 R243L112-D116 PolarHBondContact O-N 3.23Å; V113-D116 PolarHBondContact O-N 3.43Å; D116-E119 PolarHBondContact O-N 3.01Å; D116-A120 PolarHBondContact O-N 3.18Å; D116-L236 HydrophobicContact CB-CD1 4.38Å; D116-R243 IonicContact OD2-CZ 2.76Å; D116-R243 IonicContact OD2-NE 3.67Å; D116-R243 IonicContact OD2-NH2 3.88Å; D116-R243 PolarHBondContact OD2-NH2 3.49Å
117V98.4Very high96.5Very high26 Ų2648.7 Ų48.716%0.15825%0.245CC..Hα-helixtrans-65.8-43.1176.5178.90000110.3M97 V113 I115 E119 A120 M121 L236 I240M97-V117 HydrophobicContact CE-CG1 4.07Å; M97-V117 HydrophobicContact SD-CB 4.1Å; M97-V117 HydrophobicContact SD-CG1 3.47Å; M97-V117 WeakPolarHBondContact SD-CG1 3.23Å; V113-V117 HydrophobicContact CG1-CG2 3.9Å; V113-V117 WeakPolarHBondContact O-CB 3.5Å; V113-V117 VanDerWaalsContact O-CG2 3.23Å; V113-V117 WeakPolarHBondContact O-CG2 3.45Å; V113-V117 PolarHBondContact O-N 3.25Å; I115-V117 PolarHBondContact O-N 3.45Å; V117-E119 VanDerWaalsContact C-N 3.3Å; V117-E119 PolarHBondContact O-N 2.9Å; V117-A120 PolarHBondContact O-N 3.37Å; V117-M121 HydrophobicContact CG1-CE 4.44Å; V117-M121 HydrophobicContact CG1-CG 4.26Å; V117-M121 WeakPolarHBondContact O-CG 3.49Å; V117-M121 PolarHBondContact O-N 3.32Å; V117-L236 HydrophobicContact CB-CD2 4.44Å; V117-L236 HydrophobicContact CG1-CD2 4.29Å; V117-L236 HydrophobicContact CG2-CD1 4.08Å; V117-L236 HydrophobicContact CG2-CD2 4.2Å; V117-I240 HydrophobicContact CG2-CD1 3.85Å
118G98.3Very high96.8Very high0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-65.2-33.1-179.600000113.2G94 L114 I115 R122G94-G118 WeakPolarHBondContact CA-O 3.41Å; L114-G118 PolarHBondContact O-N 3.42Å; I115-G118 PolarHBondContact O-N 3.46Å; G118-R122 PolarHBondContact O-N 3.41Å; G118-R122 VanDerWaalsContact O-N 3.13Å
119E98.2Very high96.8Very high76 Ų7641.9 Ų41.936%0.35521%0.205SC..Hα-helixtrans-64-49.2170175.7158-118.700112Q98 I115 D116 V117 M121 R122 E123Q98-E119 VanDerWaalsContact NE2-N 3.16Å; I115-E119 PolarHBondContact O-N 3.04Å; D116-E119 PolarHBondContact O-N 3.01Å; V117-E119 VanDerWaalsContact C-N 3.3Å; V117-E119 PolarHBondContact O-N 2.9Å; E119-M121 VanDerWaalsContact C-N 3.29Å; E119-M121 PolarHBondContact O-N 2.94Å; E119-R122 WeakPolarHBondContact O-CB 3.48Å; E119-R122 PolarHBondContact O-N 2.98Å; E119-R122 VanDerWaalsContact O-N 3.1Å; E119-R122 IonicContact OE1-NH2 2.84Å; E119-R122 PolarHBondContact OE1-NH2 3.27Å; E119-E123 PolarHBondContact O-N 3.15Å
120A98.5Very high96.9Very high8 Ų841.3 Ų41.37%0.06621%0.208CC..Hα-helixtrans-60.9-37.2176.400000112.6D116 V117 R122 E123 L124 I232 L236D116-A120 PolarHBondContact O-N 3.18Å; V117-A120 PolarHBondContact O-N 3.37Å; A120-R122 VanDerWaalsContact C-N 3.34Å; A120-R122 PolarHBondContact O-N 3.32Å; A120-E123 PolarHBondContact O-N 3.04Å; A120-L124 WeakPolarHBondContact O-CG 3.22Å; A120-L124 PolarHBondContact O-N 3.45Å; A120-I232 HydrophobicContact CB-CG2 3.92Å; A120-L236 HydrophobicContact CB-CB 4.25Å; A120-L236 HydrophobicContact CB-CD1 4.2Å; A120-L236 HydrophobicContact CB-CD2 3.75Å; A120-L236 HydrophobicContact CB-CG 4.28Å
121M98.5Very high97Very high26 Ų2635.3 Ų35.313%0.12818%0.182CC..Hα-helixtrans-64.3-37.4174.8-70-59.211100112.3E90 L93 M97 V117 E119 L124 G125 L233E90-M121 CarbonylContact C-O 3.53Å; E90-M121 WeakPolarHBondContact CB-O 3.39Å; L93-M121 HydrophobicContact CD2-CG 4.31Å; L93-M121 HydrophobicContact CD2-SD 4.07Å; L93-M121 HydrophobicContact CG-CG 4.46Å; M97-M121 HydrophobicContact SD-CG 4.21Å; V117-M121 HydrophobicContact CG1-CE 4.44Å; V117-M121 HydrophobicContact CG1-CG 4.26Å; V117-M121 WeakPolarHBondContact O-CG 3.49Å; V117-M121 PolarHBondContact O-N 3.32Å; E119-M121 VanDerWaalsContact C-N 3.29Å; E119-M121 PolarHBondContact O-N 2.94Å; M121-L124 HydrophobicContact CE-CD1 3.55Å; M121-L124 PolarHBondContact O-N 3.12Å; M121-L124 HydrophobicContact SD-CD1 4.06Å; M121-G125 PolarHBondContact O-N 3.45Å; M121-L233 HydrophobicContact CE-CD2 4.11Å
122R97.6Very high96.9Very high81 Ų8135.3 Ų35.331%0.30618%0.182SC..Hα-helixtrans-65.6-43.5174-174.1-177.866-135.5-6.3111.5T91 G118 E119 A120 L124 G125 E126T91-R122 HydrophobicContact CG2-CG 4.43Å; G118-R122 PolarHBondContact O-N 3.41Å; G118-R122 VanDerWaalsContact O-N 3.13Å; E119-R122 WeakPolarHBondContact O-CB 3.48Å; E119-R122 PolarHBondContact O-N 2.98Å; E119-R122 VanDerWaalsContact O-N 3.1Å; E119-R122 IonicContact OE1-NH2 2.84Å; E119-R122 PolarHBondContact OE1-NH2 3.27Å; A120-R122 VanDerWaalsContact C-N 3.34Å; A120-R122 PolarHBondContact O-N 3.32Å; R122-L124 VanDerWaalsContact C-N 3.32Å; R122-L124 PolarHBondContact O-N 3.35Å; R122-G125 WeakPolarHBondContact O-CA 3.48Å; R122-G125 PolarHBondContact O-N 3.43Å; R122-E126 PolarHBondContact O-N 3.02Å
123E97.9Very high96.7Very high71 Ų7134 Ų3433%0.33218%0.175SC..Hα-helixtrans-59.9-41.6174-69178.6-162.100111.6E119 A120 G125 E126 V127 I232E119-E123 PolarHBondContact O-N 3.15Å; A120-E123 PolarHBondContact O-N 3.04Å; E123-G125 VanDerWaalsContact C-N 3.27Å; E123-G125 PolarHBondContact O-N 3.42Å; E123-E126 WeakPolarHBondContact O-CB 3.49Å; E123-E126 PolarHBondContact O-N 3.43Å; E123-E126 VanDerWaalsContact O-N 3.12Å; E123-V127 WeakPolarHBondContact O-CG2 3.27Å; E123-V127 PolarHBondContact O-N 3.01Å; E123-I232 HydrophobicContact CB-CD1 3.92Å; E123-I232 HydrophobicContact CB-CG2 4.44Å
124L98.3Very high96.6Very high16 Ų1634.9 Ų34.98%0.08418%0.177CC..Hα-helixtrans-60.1-37.6172.9-71.6173.9000112.3E90 A120 M121 R122 V127 K128 I232 L233E90-L124 HydrophobicContact CB-CB 4.28Å; E90-L124 HydrophobicContact CG-CB 4.36Å; A120-L124 WeakPolarHBondContact O-CG 3.22Å; A120-L124 PolarHBondContact O-N 3.45Å; M121-L124 HydrophobicContact CE-CD1 3.55Å; M121-L124 PolarHBondContact O-N 3.12Å; M121-L124 HydrophobicContact SD-CD1 4.06Å; R122-L124 VanDerWaalsContact C-N 3.32Å; R122-L124 PolarHBondContact O-N 3.35Å; L124-V127 PolarHBondContact O-N 2.98Å; L124-K128 WeakPolarHBondContact O-CB 3.49Å; L124-K128 PolarHBondContact O-N 2.93Å; L124-I232 HydrophobicContact CD2-CB 4.25Å; L124-I232 HydrophobicContact CD2-CD1 4.07Å; L124-I232 HydrophobicContact CD2-CG2 4.29Å; L124-I232 HydrophobicContact CG-CG2 4.2Å; L124-L233 HydrophobicContact CD1-CD2 3.99Å; L124-L233 HydrophobicContact CD1-CG 4.25Å
125G96.4Very high96.5Very high0 Ų033.6 Ų33.60%017%0.17CC..Hα-helixtrans-59.7-42.5172.300000112.9M121 R122 E123 K128 D129M121-G125 PolarHBondContact O-N 3.45Å; R122-G125 WeakPolarHBondContact O-CA 3.48Å; R122-G125 PolarHBondContact O-N 3.43Å; E123-G125 VanDerWaalsContact C-N 3.27Å; E123-G125 PolarHBondContact O-N 3.42Å; G125-K128 WeakPolarHBondContact O-CB 3.49Å; G125-K128 PolarHBondContact O-N 2.96Å; G125-D129 PolarHBondContact O-N 3.24Å
126E95.3Very high96.2Very high116 Ų11632 Ų3254%0.54216%0.162SC..Hα-helixtrans-65.3-39.9175.6-65.5172.9-168.400112.1R122 E123 K128 D129 A130R122-E126 PolarHBondContact O-N 3.02Å; E123-E126 WeakPolarHBondContact O-CB 3.49Å; E123-E126 PolarHBondContact O-N 3.43Å; E123-E126 VanDerWaalsContact O-N 3.12Å; E126-K128 VanDerWaalsContact C-N 3.31Å; E126-K128 PolarHBondContact O-N 3.03Å; E126-D129 PolarHBondContact O-N 3.46Å; E126-A130 PolarHBondContact O-N 3.38Å
127V96.9Very high96Very high26 Ų2632.7 Ų32.716%0.15816%0.164CC..Hα-helixtrans-65.2-36.5174.5-178.20000110.8E123 L124 A130 L131 Y225 R228 I232E123-V127 WeakPolarHBondContact O-CG2 3.27Å; E123-V127 PolarHBondContact O-N 3.01Å; L124-V127 PolarHBondContact O-N 2.98Å; V127-A130 PolarHBondContact O-N 3.16Å; V127-L131 PolarHBondContact O-N 2.89Å; V127-Y225 HydrophobicContact CG1-CD2 3.76Å; V127-Y225 HydrophobicContact CG1-CE2 4.34Å; V127-R228 HydrophobicContact CG1-CB 3.75Å; V127-R228 HydrophobicContact CG2-CB 4.16Å; V127-I232 HydrophobicContact CG2-CD1 3.71Å
128K96.3Very high95.8Very high22 Ų2235.1 Ų35.110%0.09618%0.176CC..Hα-helixtrans-68.6-39.7174.8-178.659.6175.261.10112.4L58 Q88 L124 G125 E126 A130 L131 D132 Y225L58-K128 PolarHBondContact O-NZ 3.15Å; Q88-K128 HydrophobicContact CB-CG 4.46Å; Q88-K128 VanDerWaalsContact CD-CG 3.47Å; Q88-K128 HydrophobicContact CG-CB 4.13Å; Q88-K128 HydrophobicContact CG-CG 3.94Å; L124-K128 WeakPolarHBondContact O-CB 3.49Å; L124-K128 PolarHBondContact O-N 2.93Å; G125-K128 WeakPolarHBondContact O-CB 3.49Å; G125-K128 PolarHBondContact O-N 2.96Å; E126-K128 VanDerWaalsContact C-N 3.31Å; E126-K128 PolarHBondContact O-N 3.03Å; K128-A130 VanDerWaalsContact C-N 3.31Å; K128-A130 PolarHBondContact O-N 3.35Å; K128-L131 HydrophobicContact CD-CD2 4.17Å; K128-L131 WeakPolarHBondContact O-CB 3.49Å; K128-L131 PolarHBondContact O-N 2.95Å; K128-D132 IonicContact NZ-OD1 2.79Å; K128-D132 PolarHBondContact NZ-OD1 3.28Å; K128-D132 IonicContact NZ-OD2 3.55Å; K128-D132 PolarHBondContact NZ-OD2 3.45Å; K128-D132 PolarHBondContact O-N 3.01Å; K128-D132 VanDerWaalsContact O-N 3.08Å; K128-Y225 HydrophobicContact CB-CE2 3.97Å; K128-Y225 HydrophobicContact CD-CE2 3.89Å
129D93.8Very high95.7Very high34 Ų3435.1 Ų35.118%0.18218%0.176CC..Hα-helixtrans-59.5-43.6171.2-80.8-18.8000111.3P84 Q88 G125 E126 L131 D132 M133P84-D129 HydrophobicContact CG-CB 4.17Å; P84-D129 WeakPolarHBondContact CG-OD1 3.44Å; Q88-D129 WeakPolarHBondContact CG-OD1 3.41Å; Q88-D129 PolarHBondContact NE2-OD1 3.36Å; G125-D129 PolarHBondContact O-N 3.24Å; E126-D129 PolarHBondContact O-N 3.46Å; D129-L131 PolarHBondContact O-N 3.28Å; D129-D132 PolarHBondContact O-N 3.21Å; D129-M133 VanDerWaalsContact O-CG 3.31Å; D129-M133 WeakPolarHBondContact O-CG 3.29Å; D129-M133 PolarHBondContact O-N 3.29Å
130A94.1Very high95.6Very high45 Ų4531.8 Ų31.837%0.37216%0.16SC..Hα-helixtrans-61-43.1176.900000112.1E126 V127 K128 M133 E134E126-A130 PolarHBondContact O-N 3.38Å; V127-A130 PolarHBondContact O-N 3.16Å; K128-A130 VanDerWaalsContact C-N 3.31Å; K128-A130 PolarHBondContact O-N 3.35Å; A130-M133 PolarHBondContact O-N 3.31Å; A130-E134 VanDerWaalsContact O-CB 3.31Å; A130-E134 WeakPolarHBondContact O-CB 3.49Å; A130-E134 PolarHBondContact O-N 3.42Å
131L96.4Very high95.4Very high4 Ų432.9 Ų32.92%0.02117%0.165CC..Hα-helixtrans-56.6-51174.3175.367000111.4L58 V127 K128 D129 M133 E134 V135 A221 Q222 Y225L58-L131 HydrophobicContact CD2-CD2 3.95Å; L58-L131 HydrophobicContact CD2-CG 3.9Å; V127-L131 PolarHBondContact O-N 2.89Å; K128-L131 HydrophobicContact CD-CD2 4.17Å; K128-L131 WeakPolarHBondContact O-CB 3.49Å; K128-L131 PolarHBondContact O-N 2.95Å; D129-L131 PolarHBondContact O-N 3.28Å; L131-M133 VanDerWaalsContact C-N 3.29Å; L131-M133 PolarHBondContact O-N 3Å; L131-E134 PolarHBondContact O-N 3.02Å; L131-V135 HydrophobicContact CD1-CG2 3.75Å; L131-V135 HydrophobicContact CG-CG2 4.38Å; L131-V135 WeakPolarHBondContact O-CB 3.49Å; L131-V135 WeakPolarHBondContact O-CG2 3.17Å; L131-V135 PolarHBondContact O-N 3.47Å; L131-A221 HydrophobicContact CD1-CB 4.14Å; L131-Q222 HydrophobicContact CD1-CG 4.29Å; L131-Y225 HydrophobicContact CB-CD2 3.86Å; L131-Y225 HydrophobicContact CB-CG 4.11Å; L131-Y225 HydrophobicContact CD1-CG 4.38Å; L131-Y225 HydrophobicContact CD2-CD1 3.89Å; L131-Y225 HydrophobicContact CD2-CD2 3.9Å; L131-Y225 HydrophobicContact CD2-CE1 4.29Å; L131-Y225 HydrophobicContact CD2-CE2 4.35Å; L131-Y225 HydrophobicContact CD2-CG 3.7Å; L131-Y225 HydrophobicContact CG-CD2 4.42Å; L131-Y225 HydrophobicContact CG-CG 4.27Å
132D94.4Very high95.2Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-60.7-41.9-177.3-69.9-7.5000111.1L58 Q59 Y86 Q88 K128 D129 K136L58-D132 WeakPolarHBondContact CD2-OD1 3.27Å; Q59-D132 PolarHBondContact NE2-OD2 3.01Å; Y86-D132 PolarHBondContact OH-OD2 2.9Å; Q88-D132 PolarHBondContact NE2-OD2 3.45Å; K128-D132 IonicContact NZ-OD1 2.79Å; K128-D132 PolarHBondContact NZ-OD1 3.28Å; K128-D132 IonicContact NZ-OD2 3.55Å; K128-D132 PolarHBondContact NZ-OD2 3.45Å; K128-D132 PolarHBondContact O-N 3.01Å; K128-D132 VanDerWaalsContact O-N 3.08Å; D129-D132 PolarHBondContact O-N 3.21Å; D132-K136 WeakPolarHBondContact O-CB 3.36Å; D132-K136 PolarHBondContact O-N 2.92Å
133M91.3Very high95.1Very high22 Ų2230 Ų3011%0.10816%0.158CC..Hα-helixtrans-67.4-43.2177.7-67.2-173.486.200112.6M71 R76 D129 A130 L131 K136 Q137M71-M133 HydrophobicContact CE-CG 4.13Å; M71-M133 HydrophobicContact SD-CE 4.48Å; M71-M133 HydrophobicContact SD-CG 4.3Å; R76-M133 VanDerWaalsContact CZ-CE 3.47Å; R76-M133 VanDerWaalsContact NE-CE 3.34Å; R76-M133 VanDerWaalsContact NH2-CE 3.31Å; R76-M133 PolarHBondContact NH2-SD 3.2Å; D129-M133 VanDerWaalsContact O-CG 3.31Å; D129-M133 WeakPolarHBondContact O-CG 3.29Å; D129-M133 PolarHBondContact O-N 3.29Å; A130-M133 PolarHBondContact O-N 3.31Å; L131-M133 VanDerWaalsContact C-N 3.29Å; L131-M133 PolarHBondContact O-N 3Å; M133-K136 PolarHBondContact O-N 3.4Å; M133-Q137 WeakPolarHBondContact O-CB 3.45Å; M133-Q137 VanDerWaalsContact O-CG 3.27Å; M133-Q137 WeakPolarHBondContact O-CG 3.36Å; M133-Q137 PolarHBondContact O-N 3.08Å
134E93.9Very high94.9Very high50 Ų5029.8 Ų29.823%0.23416%0.157CC..Hα-helixtrans-67.7-45.9-177.8-169.7170.9-176.500111.4A130 L131 Q137 N138 A221A130-E134 VanDerWaalsContact O-CB 3.31Å; A130-E134 WeakPolarHBondContact O-CB 3.49Å; A130-E134 PolarHBondContact O-N 3.42Å; L131-E134 PolarHBondContact O-N 3.02Å; E134-Q137 PolarHBondContact O-N 3.28Å; E134-N138 WeakPolarHBondContact O-CB 3.13Å; E134-N138 PolarHBondContact O-N 3.09Å; E134-A221 HydrophobicContact CB-CB 4.22Å; E134-A221 HydrophobicContact CG-CB 3.85Å
135V96.2Very high94.7Very high1 Ų133.1 Ų33.11%0.00618%0.175CC..Hα-helixtrans-66.9-38.1176.3178.30000111T54 L58 L131 Q137 F139 I140 L218 A221T54-V135 HydrophobicContact CG2-CG1 3.56Å; L58-V135 HydrophobicContact CD1-CB 3.82Å; L58-V135 HydrophobicContact CD1-CG1 3.66Å; L58-V135 HydrophobicContact CD2-CB 4.33Å; L58-V135 HydrophobicContact CD2-CG2 4.28Å; L58-V135 HydrophobicContact CG-CG1 4.47Å; L131-V135 HydrophobicContact CD1-CG2 3.75Å; L131-V135 HydrophobicContact CG-CG2 4.38Å; L131-V135 WeakPolarHBondContact O-CB 3.49Å; L131-V135 WeakPolarHBondContact O-CG2 3.17Å; L131-V135 PolarHBondContact O-N 3.47Å; V135-Q137 PolarHBondContact O-N 3.38Å; V135-F139 HydrophobicContact CG1-CB 4.17Å; V135-F139 HydrophobicContact CG1-CD1 4.13Å; V135-F139 WeakPolarHBondContact O-CA 3.46Å; V135-F139 WeakPolarHBondContact O-CB 3.38Å; V135-F139 PolarHBondContact O-N 3.17Å; V135-I140 HydrophobicContact CG1-CD1 4.3Å; V135-I140 HydrophobicContact CG1-CG1 4.3Å; V135-I140 PolarHBondContact O-N 3.05Å; V135-L218 HydrophobicContact CB-CD1 4.49Å; V135-L218 HydrophobicContact CG1-CD1 3.67Å; V135-L218 HydrophobicContact CG2-CD1 3.92Å; V135-A221 HydrophobicContact CG2-CB 3.74Å
136K92.8Very high94.6Very high11 Ų1133.5 Ų33.55%0.04818%0.177CC..Iπ-helixtrans-59.7-48.5175.2-178.757.8161.965.70111.6M68 M71 D132 M133 I140 D141M68-K136 HydrophobicContact SD-CD 4.04Å; M71-K136 HydrophobicContact CE-CB 3.93Å; M71-K136 HydrophobicContact CE-CG 3.79Å; M71-K136 PolarHBondContact O-NZ 2.9Å; D132-K136 WeakPolarHBondContact O-CB 3.36Å; D132-K136 PolarHBondContact O-N 2.92Å; M133-K136 PolarHBondContact O-N 3.4Å; K136-I140 HydrophobicContact CD-CB 3.96Å; K136-I140 HydrophobicContact CD-CD1 4.25Å; K136-I140 HydrophobicContact CD-CG2 3.85Å; K136-D141 IonicContact NZ-OD1 3Å; K136-D141 PolarHBondContact NZ-OD1 3.25Å; K136-D141 IonicContact NZ-OD2 2.88Å; K136-D141 WeakPolarHBondContact O-CB 3.3Å; K136-D141 VanDerWaalsContact O-CG 3.22Å; K136-D141 PolarHBondContact O-N 3.48Å
137Q91.9Very high94.6Very high52 Ų5230.2 Ų30.224%0.24316%0.161CC..Iπ-helixtrans-75.1-41.5-174-72.3171.612.800113.3M133 E134 V135 P142M133-Q137 WeakPolarHBondContact O-CB 3.45Å; M133-Q137 VanDerWaalsContact O-CG 3.27Å; M133-Q137 WeakPolarHBondContact O-CG 3.36Å; M133-Q137 PolarHBondContact O-N 3.08Å; E134-Q137 PolarHBondContact O-N 3.28Å; V135-Q137 PolarHBondContact O-N 3.38Å; Q137-P142 WeakPolarHBondContact O-CD 3.41Å
138N94.7Very high94.5Very high77 Ų7734.2 Ų34.241%0.41218%0.179SC..Iπ-helixtrans-101.8-10.6-169-61.3-34.1000113.7E134 A217E134-N138 WeakPolarHBondContact O-CB 3.13Å; E134-N138 PolarHBondContact O-N 3.09Å; N138-A217 HydrophobicContact CB-CB 4.02Å
139F96.7Very high94.4Very high0 Ų038.9 Ų38.90%020%0.199CC..Iπ-helixtrans-126-59.2178.7177.5-102.9000112.6I50 T54 V135 P142 M143 Q214 L215 L218I50-F139 HydrophobicContact CG2-CE1 4.36Å; I50-F139 HydrophobicContact CG2-CZ 3.75Å; T54-F139 HydrophobicContact CG2-CD1 3.87Å; T54-F139 HydrophobicContact CG2-CE1 3.89Å; T54-F139 WeakPolarHBondContact OG1-CE1 3.43Å; V135-F139 HydrophobicContact CG1-CB 4.17Å; V135-F139 HydrophobicContact CG1-CD1 4.13Å; V135-F139 WeakPolarHBondContact O-CA 3.46Å; V135-F139 WeakPolarHBondContact O-CB 3.38Å; V135-F139 PolarHBondContact O-N 3.17Å; F139-P142 WeakPolarHBondContact O-CD 3.33Å; F139-M143 HydrophobicContact CD2-CG 4.18Å; F139-M143 HydrophobicContact CE2-CE 4.28Å; F139-M143 HydrophobicContact CE2-CG 3.91Å; F139-M143 HydrophobicContact CE2-SD 4.45Å; F139-M143 HydrophobicContact CZ-CE 4.19Å; F139-M143 HydrophobicContact CZ-CG 4.13Å; F139-M143 VanDerWaalsContact O-CB 3.31Å; F139-M143 WeakPolarHBondContact O-CB 3.4Å; F139-M143 WeakPolarHBondContact O-CG 3.11Å; F139-M143 PolarHBondContact O-N 2.91Å; F139-M143 VanDerWaalsContact O-N 3.09Å; F139-Q214 HydrophobicContact CD2-CB 4.22Å; F139-Q214 WeakPolarHBondContact CD2-O 3.47Å; F139-L215 HydrophobicContact CE2-CD2 4.02Å; F139-L218 HydrophobicContact CB-CB 4.34Å; F139-L218 HydrophobicContact CD1-CD1 4.47Å; F139-L218 HydrophobicContact CD1-CD2 4.36Å; F139-L218 HydrophobicContact CD2-CB 3.97Å; F139-L218 HydrophobicContact CE1-CD2 4.14Å; F139-L218 HydrophobicContact CE2-CB 4.45Å; F139-L218 HydrophobicContact CE2-CD2 4.29Å; F139-L218 HydrophobicContact CG-CB 4.01Å; F139-L218 HydrophobicContact CZ-CD2 4.1Å
140I95.5Very high94.5Very high6 Ų639.9 Ų39.93%0.03120%0.204CC..Iπ-helixtrans-65.7-49.2-173.7-62.8173000111.4M51 T54 L58 M68 V135 K136 M143 Q144M51-I140 HydrophobicContact CG-CG2 3.98Å; M51-I140 HydrophobicContact SD-CG2 4.29Å; T54-I140 HydrophobicContact CG2-CD1 4.46Å; T54-I140 HydrophobicContact CG2-CG1 4.48Å; L58-I140 HydrophobicContact CD1-CD1 3.98Å; M68-I140 HydrophobicContact CE-CD1 4.17Å; M68-I140 HydrophobicContact SD-CD1 4.35Å; V135-I140 HydrophobicContact CG1-CD1 4.3Å; V135-I140 HydrophobicContact CG1-CG1 4.3Å; V135-I140 PolarHBondContact O-N 3.05Å; K136-I140 HydrophobicContact CD-CB 3.96Å; K136-I140 HydrophobicContact CD-CD1 4.25Å; K136-I140 HydrophobicContact CD-CG2 3.85Å; I140-M143 PolarHBondContact O-N 3.47Å; I140-Q144 WeakPolarHBondContact O-CB 3.45Å; I140-Q144 PolarHBondContact O-N 3.5Å
141D93.9Very high94.6Very high31 Ų3137.8 Ų37.817%0.16619%0.187CC..Hα-helixtrans-61.7-46.9-178.3-73.2-16.7000112.8S73 K136 M143 Q144 N145S73-D141 PolarHBondContact OG-OD2 3.47Å; K136-D141 IonicContact NZ-OD1 3Å; K136-D141 PolarHBondContact NZ-OD1 3.25Å; K136-D141 IonicContact NZ-OD2 2.88Å; K136-D141 WeakPolarHBondContact O-CB 3.3Å; K136-D141 VanDerWaalsContact O-CG 3.22Å; K136-D141 PolarHBondContact O-N 3.48Å; D141-M143 PolarHBondContact O-N 3.35Å; D141-Q144 PolarHBondContact O-N 3.09Å; D141-N145 PolarHBondContact O-N 3.33Å
142P94.9Very high94.6Very high38 Ų3843.9 Ų43.925%0.24721%0.213CC..Hα-helixtrans-59.7-43.5172.8-27.435.6000113.7Q137 F139 Q144 N145 L146 Q214Q137-P142 WeakPolarHBondContact O-CD 3.41Å; F139-P142 WeakPolarHBondContact O-CD 3.33Å; P142-Q144 VanDerWaalsContact C-N 3.32Å; P142-Q144 PolarHBondContact O-N 3.29Å; P142-N145 PolarHBondContact O-N 3.14Å; P142-L146 PolarHBondContact O-N 3.05Å; P142-Q214 HydrophobicContact CB-CG 4.02Å
143M95Very high94.7Very high9 Ų948.9 Ų48.94%0.04424%0.236CC..Hα-helixtrans-65-37.4178.5-71.8-70.9-87.200111.8V47 M51 F139 I140 D141 L146 H147 Q214V47-M143 HydrophobicContact CB-CE 3.99Å; V47-M143 HydrophobicContact CG1-CB 4.25Å; V47-M143 HydrophobicContact CG1-CE 3.88Å; V47-M143 WeakPolarHBondContact CG1-O 3.33Å; V47-M143 HydrophobicContact CG1-SD 4.23Å; V47-M143 HydrophobicContact CG2-CE 3.79Å; V47-M143 HydrophobicContact CG2-SD 4.27Å; M51-M143 HydrophobicContact SD-CB 4.4Å; F139-M143 HydrophobicContact CD2-CG 4.18Å; F139-M143 HydrophobicContact CE2-CE 4.28Å; F139-M143 HydrophobicContact CE2-CG 3.91Å; F139-M143 HydrophobicContact CE2-SD 4.45Å; F139-M143 HydrophobicContact CZ-CE 4.19Å; F139-M143 HydrophobicContact CZ-CG 4.13Å; F139-M143 VanDerWaalsContact O-CB 3.31Å; F139-M143 WeakPolarHBondContact O-CB 3.4Å; F139-M143 WeakPolarHBondContact O-CG 3.11Å; F139-M143 PolarHBondContact O-N 2.91Å; F139-M143 VanDerWaalsContact O-N 3.09Å; I140-M143 PolarHBondContact O-N 3.47Å; D141-M143 PolarHBondContact O-N 3.35Å; M143-L146 PolarHBondContact O-N 2.84Å; M143-L146 HydrophobicContact SD-CD2 4.38Å; M143-H147 WeakPolarHBondContact O-CB 3.46Å; M143-H147 PolarHBondContact O-N 2.84Å; M143-Q214 PolarHBondContact SD-OE1 3.14Å
144Q94.6Very high95Very high65 Ų6548.1 Ų48.130%0.30423%0.233SC..Hα-helixtrans-65.2-43.9174.2-172.8171.7-1.400111.2M51 I140 D141 P142 H147 E148M51-Q144 HydrophobicContact SD-CB 3.77Å; M51-Q144 HydrophobicContact SD-CG 4.43Å; I140-Q144 WeakPolarHBondContact O-CB 3.45Å; I140-Q144 PolarHBondContact O-N 3.5Å; D141-Q144 PolarHBondContact O-N 3.09Å; P142-Q144 VanDerWaalsContact C-N 3.32Å; P142-Q144 PolarHBondContact O-N 3.29Å; Q144-H147 PolarHBondContact O-N 3.4Å; Q144-E148 HydrophobicContact CG-CG 4.19Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.4Å; Q144-E148 PolarHBondContact NE2-OE1 3.26Å; Q144-E148 WeakPolarHBondContact O-CB 3.31Å; Q144-E148 WeakPolarHBondContact O-CG 3.47Å; Q144-E148 PolarHBondContact O-N 2.93Å
145N93.6Very high95.1Very high87 Ų8750.5 Ų50.547%0.46524%0.244SC..Hα-helixtrans-61.1-45.4175.7176.172.3000111.8D141 P142 H147 E148 K149D141-N145 PolarHBondContact O-N 3.33Å; P142-N145 PolarHBondContact O-N 3.14Å; N145-H147 VanDerWaalsContact C-N 3.27Å; N145-H147 PolarHBondContact O-N 3.06Å; N145-E148 PolarHBondContact O-N 2.97Å; N145-K149 WeakPolarHBondContact O-CB 3.36Å; N145-K149 PolarHBondContact O-N 2.93Å
146L94.6Very high95.2Very high7 Ų756.1 Ų56.14%0.03727%0.27CS..Iπ-helixtrans-55.2-43.5175.3178.565.5000111.8V47 P142 M143 D150 L151 L204 Q211V47-L146 HydrophobicContact CG2-CD2 3.79Å; P142-L146 PolarHBondContact O-N 3.05Å; M143-L146 PolarHBondContact O-N 2.84Å; M143-L146 HydrophobicContact SD-CD2 4.38Å; L146-D150 HydrophobicContact CD1-CB 4.22Å; L146-D150 PolarHBondContact O-N 3.38Å; L146-L151 HydrophobicContact CG-CD1 4.26Å; L146-L151 WeakPolarHBondContact O-CB 3.44Å; L146-L151 PolarHBondContact O-N 3.17Å; L146-L204 HydrophobicContact CD1-CD1 3.76Å; L146-Q211 HydrophobicContact CD2-CG 3.77Å
147H94.8Very high95.4Very high47 Ų4756.9 Ų56.922%0.21827%0.273CS..Iπ-helixtrans-71.9-46.8179.4-177.7-93.7000113.2V47 M143 Q144 N145 L151 K152V47-H147 HydrophobicContact CG1-CB 3.98Å; M143-H147 WeakPolarHBondContact O-CB 3.46Å; M143-H147 PolarHBondContact O-N 2.84Å; Q144-H147 PolarHBondContact O-N 3.4Å; N145-H147 VanDerWaalsContact C-N 3.27Å; N145-H147 PolarHBondContact O-N 3.06Å; H147-L151 HydrophobicContact CB-CD1 4.42Å; H147-K152 PolarHBondContact O-N 3.2Å
148E94.9Very high95.6Very high111 Ų11155.7 Ų55.752%0.51927%0.269SS..Iπ-helixtrans-79.3-22.9-173.1-70.8-174.6-176.800114Q144 N145 K152Q144-E148 HydrophobicContact CG-CG 4.19Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.4Å; Q144-E148 PolarHBondContact NE2-OE1 3.26Å; Q144-E148 WeakPolarHBondContact O-CB 3.31Å; Q144-E148 WeakPolarHBondContact O-CG 3.47Å; Q144-E148 PolarHBondContact O-N 2.93Å; N145-E148 PolarHBondContact O-N 2.97Å; E148-K152 WeakPolarHBondContact O-CB 3.45Å; E148-K152 WeakPolarHBondContact O-CD 3.35Å
149K94.6Very high95.7Very high120 Ų12059.8 Ų59.852%0.52228%0.283SS..Iπ-helixtrans-107.2-76.4-178.5-168.3-173.4176.8-162.20111.1N145 K152 E153N145-K149 WeakPolarHBondContact O-CB 3.36Å; N145-K149 PolarHBondContact O-N 2.93Å; K149-K152 PolarHBondContact O-N 3.04Å; K149-E153 WeakPolarHBondContact O-CB 3.21Å; K149-E153 PolarHBondContact O-N 2.95Å
150D94.9Very high95.7Very high54 Ų5464.6 Ų64.629%0.28930%0.304SS..Iπ-helixtrans-68.4-49.2-166.2-51.1-69.6000111.7L146 K152 E153 I154L146-D150 HydrophobicContact CD1-CB 4.22Å; L146-D150 PolarHBondContact O-N 3.38Å; D150-K152 VanDerWaalsContact C-N 3.33Å; D150-K152 PolarHBondContact O-N 3.46Å; D150-E153 PolarHBondContact O-N 3.44Å; D150-I154 WeakPolarHBondContact O-CG1 3.22Å; D150-I154 PolarHBondContact O-N 2.82Å
151L96.3Very high95.7Very high1 Ų164.6 Ų64.61%0.00530%0.303CS..Iπ-helixtrans-64.6-37.6177.2-72.7169.3000112.1V40 V47 L146 H147 I154 Q155 L204V40-L151 HydrophobicContact CG1-CD2 3.91Å; V47-L151 HydrophobicContact CB-CD1 4.41Å; V47-L151 HydrophobicContact CG2-CD1 4.35Å; L146-L151 HydrophobicContact CG-CD1 4.26Å; L146-L151 WeakPolarHBondContact O-CB 3.44Å; L146-L151 PolarHBondContact O-N 3.17Å; H147-L151 HydrophobicContact CB-CD1 4.42Å; L151-I154 PolarHBondContact O-N 3.25Å; L151-Q155 WeakPolarHBondContact O-CB 3.33Å; L151-Q155 VanDerWaalsContact O-CG 3.27Å; L151-Q155 WeakPolarHBondContact O-CG 3.35Å; L151-Q155 PolarHBondContact O-N 3.06Å; L151-L204 HydrophobicContact CD2-CD2 3.57Å
152K96.4Very high95.7Very high133 Ų13366 Ų6658%0.57831%0.309SS*.Hα-helixtrans-68.7-36178-165.5176.9-174.2174.40112.4H147 E148 K149 D150 H156H147-K152 PolarHBondContact O-N 3.2Å; E148-K152 WeakPolarHBondContact O-CB 3.45Å; E148-K152 WeakPolarHBondContact O-CD 3.35Å; K149-K152 PolarHBondContact O-N 3.04Å; D150-K152 VanDerWaalsContact C-N 3.33Å; D150-K152 PolarHBondContact O-N 3.46Å; K152-H156 PolarHBondContact O-N 3.08Å
153E97.3Very high95.7Very high104 Ų10464.5 Ų64.549%0.48630%0.3SS..Hα-helixtrans-65.4-46.1173.3179.4165.3-160.100111K149 D150 Q155 H156 H157K149-E153 WeakPolarHBondContact O-CB 3.21Å; K149-E153 PolarHBondContact O-N 2.95Å; D150-E153 PolarHBondContact O-N 3.44Å; E153-Q155 PolarHBondContact O-N 2.81Å; E153-H156 WeakPolarHBondContact O-CA 3.32Å; E153-H156 VanDerWaalsContact O-CB 3.27Å; E153-H156 WeakPolarHBondContact O-CB 3.4Å; E153-H156 PolarHBondContact O-N 3.4Å; E153-H157 WeakPolarHBondContact CG-NE2 3.39Å; E153-H157 PolarHBondContact O-CD2 3.46Å; E153-H157 PolarHBondContact O-N 2.97Å; E153-H157 IonicContact OE1-NE2 2.7Å
154I97.3Very high95.6Very high7 Ų766.9 Ų66.94%0.03631%0.309CS..Hα-helixtrans-60.6-45175.1-66.4161.9000111.3V40 D150 L151 H156 H157 L158 M201 L204V40-I154 HydrophobicContact CG1-CD1 4.47Å; V40-I154 HydrophobicContact CG1-CG2 3.92Å; D150-I154 WeakPolarHBondContact O-CG1 3.22Å; D150-I154 PolarHBondContact O-N 2.82Å; L151-I154 PolarHBondContact O-N 3.25Å; I154-H156 PolarHBondContact O-N 2.85Å; I154-H157 PolarHBondContact O-N 3.37Å; I154-H157 VanDerWaalsContact O-N 3.08Å; I154-L158 HydrophobicContact CG2-CD1 3.98Å; I154-L158 HydrophobicContact CG2-CG 4.28Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 3.15Å; I154-M201 HydrophobicContact CG2-CG 3.67Å; I154-L204 HydrophobicContact CD1-CB 3.82Å; I154-L204 HydrophobicContact CD1-CD2 3.49Å; I154-L204 VanDerWaalsContact CD1-CD2 3.49Å; I154-L204 HydrophobicContact CD1-CG 4.19Å
155Q96.9Very high95.6Very high99 Ų9964.8 Ų64.846%0.46330%0.298SS..Hα-helixtrans-57.8-36.5174-74.6175.17.400112.1S44 L151 E153 K159S44-Q155 PolarHBondContact OG-NE2 2.82Å; L151-Q155 WeakPolarHBondContact O-CB 3.33Å; L151-Q155 VanDerWaalsContact O-CG 3.27Å; L151-Q155 WeakPolarHBondContact O-CG 3.35Å; L151-Q155 PolarHBondContact O-N 3.06Å; E153-Q155 PolarHBondContact O-N 2.81Å; Q155-K159 VanDerWaalsContact O-CB 3.29Å; Q155-K159 WeakPolarHBondContact O-CB 3.44Å; Q155-K159 PolarHBondContact O-N 3.45Å
156H97.5Very high95.6Very high119 Ų11960.6 Ų60.655%0.55128%0.276SS*.Hα-helixtrans-64.5-45.7174.1-177.883.8000111.8K152 E153 I154 K159 K160K152-H156 PolarHBondContact O-N 3.08Å; E153-H156 WeakPolarHBondContact O-CA 3.32Å; E153-H156 VanDerWaalsContact O-CB 3.27Å; E153-H156 WeakPolarHBondContact O-CB 3.4Å; E153-H156 PolarHBondContact O-N 3.4Å; I154-H156 PolarHBondContact O-N 2.85Å; H156-K159 PolarHBondContact O-N 2.99Å; H156-K160 WeakPolarHBondContact O-CB 3.47Å; H156-K160 PolarHBondContact O-N 2.74Å
157H97.6Very high95.4Very high28 Ų2860.6 Ų60.613%0.1328%0.276CS..Hα-helixtrans-61.4-47.4176.7-65.7-59.7000112.1E153 I154 K159 K160 L161 V196 A197E153-H157 WeakPolarHBondContact CG-NE2 3.39Å; E153-H157 PolarHBondContact O-CD2 3.46Å; E153-H157 PolarHBondContact O-N 2.97Å; E153-H157 IonicContact OE1-NE2 2.7Å; I154-H157 PolarHBondContact O-N 3.37Å; I154-H157 VanDerWaalsContact O-N 3.08Å; H157-K159 PolarHBondContact O-N 2.72Å; H157-K160 WeakPolarHBondContact O-CB 3.39Å; H157-K160 PolarHBondContact O-N 3.02Å; H157-K160 VanDerWaalsContact O-N 3.13Å; H157-L161 WeakPolarHBondContact O-CB 3.43Å; H157-L161 PolarHBondContact O-N 3.26Å; H157-V196 VanDerWaalsContact CE1-CG1 3.42Å; H157-V196 WeakPolarHBondContact CE1-CG1 3.44Å; H157-V196 WeakPolarHBondContact ND1-CG1 3.48Å; H157-A197 HydrophobicContact CB-CB 3.97Å
158L96.6Very high95.2Very high27 Ų2759.2 Ų59.214%0.14127%0.269CS..Hα-helixtrans-60-44.5177-69.8172.7000111.9F33 E37 I154 K160 L161 E162 A197 M201F33-L158 HydrophobicContact CE1-CD2 4.03Å; F33-L158 HydrophobicContact CZ-CD2 3.84Å; E37-L158 HydrophobicContact CG-CD1 4.21Å; E37-L158 HydrophobicContact CG-CD2 4.42Å; I154-L158 HydrophobicContact CG2-CD1 3.98Å; I154-L158 HydrophobicContact CG2-CG 4.28Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 3.15Å; L158-K160 VanDerWaalsContact C-N 3.3Å; L158-K160 PolarHBondContact O-N 3.33Å; L158-L161 PolarHBondContact O-N 2.92Å; L158-E162 PolarHBondContact O-N 3.44Å; L158-A197 HydrophobicContact CD2-CB 4.22Å; L158-M201 HydrophobicContact CD1-SD 4.32Å; L158-M201 HydrophobicContact CD2-CE 4.25Å; L158-M201 HydrophobicContact CD2-SD 3.93Å
159K96.5Very high95Very high162 Ų16254.3 Ų54.370%0.70425%0.247SC*.Hα-helixtrans-63.2-36.8176-174.3175.3-176.8174.20112.3Q155 H156 H157 G163Q155-K159 VanDerWaalsContact O-CB 3.29Å; Q155-K159 WeakPolarHBondContact O-CB 3.44Å; Q155-K159 PolarHBondContact O-N 3.45Å; H156-K159 PolarHBondContact O-N 2.99Å; H157-K159 PolarHBondContact O-N 2.72Å; K159-G163 PolarHBondContact O-N 3.38Å; K159-G163 VanDerWaalsContact O-N 3.14Å
160K96.5Very high94.8Very high102 Ų10250.1 Ų50.144%0.44323%0.228SC..Hα-helixtrans-68.3-46.7176.4-174.1-180176.3-172.60110.6H156 H157 L158 G163 R164H156-K160 WeakPolarHBondContact O-CB 3.47Å; H156-K160 PolarHBondContact O-N 2.74Å; H157-K160 WeakPolarHBondContact O-CB 3.39Å; H157-K160 PolarHBondContact O-N 3.02Å; H157-K160 VanDerWaalsContact O-N 3.13Å; L158-K160 VanDerWaalsContact C-N 3.3Å; L158-K160 PolarHBondContact O-N 3.33Å; K160-G163 CarbonylContact O-C 3.58Å; K160-G163 WeakPolarHBondContact O-CA 3.48Å; K160-G163 PolarHBondContact O-N 3.27Å; K160-G163 VanDerWaalsContact O-N 3.15Å; K160-R164 WeakPolarHBondContact O-CG 3.37Å; K160-R164 PolarHBondContact O-N 3.37Å
161L96.1Very high94.5Very high5 Ų549.5 Ų49.53%0.02622%0.222CC..Hα-helixtrans-55.5-52.6175.6171.959.4000111.3F33 H157 L158 G163 R164 R165 F190 K194 A197F33-L161 HydrophobicContact CE1-CD2 3.98Å; F33-L161 HydrophobicContact CE2-CD2 3.95Å; F33-L161 HydrophobicContact CZ-CD2 3.29Å; H157-L161 WeakPolarHBondContact O-CB 3.43Å; H157-L161 PolarHBondContact O-N 3.26Å; L158-L161 PolarHBondContact O-N 2.92Å; L161-G163 PolarHBondContact O-N 2.91Å; L161-R164 CarbonylContact O-C 3.19Å; L161-R164 WeakPolarHBondContact O-CA 3.31Å; L161-R164 WeakPolarHBondContact O-CB 3.49Å; L161-R164 PolarHBondContact O-N 2.96Å; L161-R165 PolarHBondContact O-N 3.48Å; L161-F190 HydrophobicContact CD1-CD2 3.63Å; L161-F190 HydrophobicContact CD1-CE2 3.54Å; L161-K194 HydrophobicContact CD1-CB 3.79Å; L161-K194 HydrophobicContact CD1-CG 4.45Å; L161-K194 HydrophobicContact CD2-CB 4.44Å; L161-K194 HydrophobicContact CD2-CG 4.38Å; L161-A197 HydrophobicContact CD2-CB 4.21Å
162E93.8Very high94.1Very high61 Ų6154.2 Ų54.229%0.28524%0.243SC..Hα-helixtrans-58.5-39.3177.8176.355.7-162.600111.1L158 R164 R165 L166L158-E162 PolarHBondContact O-N 3.44Å; E162-R164 VanDerWaalsContact C-N 3.28Å; E162-R164 PolarHBondContact O-N 3.41Å; E162-R165 PolarHBondContact O-N 2.91Å; E162-R165 IonicContact OE1-CZ 3.77Å; E162-R165 IonicContact OE1-NE 3.73Å; E162-R165 IonicContact OE1-NH2 3.79Å; E162-R165 PolarHBondContact OE1-NH2 2.85Å; E162-R165 IonicContact OE2-CZ 2.72Å; E162-R165 IonicContact OE2-NE 3.43Å; E162-R165 PolarHBondContact OE2-NE 2.59Å; E162-R165 IonicContact OE2-NH2 3.89Å; E162-R165 PolarHBondContact OE2-NH2 2.93Å; E162-L166 HydrophobicContact CG-CD1 4.22Å; E162-L166 WeakPolarHBondContact O-CD1 3.37Å; E162-L166 VanDerWaalsContact O-CG 3.26Å; E162-L166 WeakPolarHBondContact O-CG 3.28Å; E162-L166 PolarHBondContact O-N 3.4Å; E162-L166 VanDerWaalsContact O-N 3.14Å
163G93.4Very high93.6Very high6 Ų652.7 Ų52.76%0.06224%0.236CC..Hα-helixtrans-65.2-24.8173.500000114.9K12 K159 K160 L161K12-G163 WeakPolarHBondContact CE-O 3.44Å; K12-G163 PolarHBondContact NZ-O 3.01Å; K159-G163 PolarHBondContact O-N 3.38Å; K159-G163 VanDerWaalsContact O-N 3.14Å; K160-G163 CarbonylContact O-C 3.58Å; K160-G163 WeakPolarHBondContact O-CA 3.48Å; K160-G163 PolarHBondContact O-N 3.27Å; K160-G163 VanDerWaalsContact O-N 3.15Å; L161-G163 PolarHBondContact O-N 2.91Å
164R94.3Very high93.1Very high59 Ų5952.6 Ų52.622%0.22323%0.231CC..Hα-helixtrans-84.9-41.6174.5-65.5-64-169177.31.2111.4K160 L161 E162 L166 D167 F168 K189 F190K160-R164 WeakPolarHBondContact O-CG 3.37Å; K160-R164 PolarHBondContact O-N 3.37Å; L161-R164 CarbonylContact O-C 3.19Å; L161-R164 WeakPolarHBondContact O-CA 3.31Å; L161-R164 WeakPolarHBondContact O-CB 3.49Å; L161-R164 PolarHBondContact O-N 2.96Å; E162-R164 VanDerWaalsContact C-N 3.28Å; E162-R164 PolarHBondContact O-N 3.41Å; R164-L166 VanDerWaalsContact C-N 3.31Å; R164-L166 PolarHBondContact O-N 3.47Å; R164-D167 WeakPolarHBondContact O-CB 3.38Å; R164-D167 PolarHBondContact O-N 2.95Å; R164-D167 VanDerWaalsContact O-N 3.09Å; R164-F168 PolarHBondContact O-N 3.49Å; R164-K189 WeakPolarHBondContact CG-O 3.31Å; R164-F190 HydrophobicContact CB-CB 4.19Å; R164-F190 HydrophobicContact CB-CD2 4.49Å
165R94.7Very high92.1Very high21 Ų2157.8 Ų57.88%0.07926%0.255CS..Hα-helixtrans-52.7-49.7174.6-170.2-164.363.985.3-10.3111E19 G26 T27 L161 E162 D167 F168 D169 F190E19-R165 IonicContact OE1-CZ 3.69Å; E19-R165 IonicContact OE1-NH1 2.85Å; E19-R165 PolarHBondContact OE1-NH1 2.8Å; E19-R165 IonicContact OE1-NH2 3.67Å; E19-R165 IonicContact OE2-CZ 3.62Å; E19-R165 IonicContact OE2-NH1 3.49Å; E19-R165 PolarHBondContact OE2-NH1 2.69Å; E19-R165 IonicContact OE2-NH2 2.84Å; E19-R165 PolarHBondContact OE2-NH2 2.89Å; G26-R165 VanDerWaalsContact CA-NH1 3.25Å; T27-R165 WeakPolarHBondContact O-CD 3.49Å; L161-R165 PolarHBondContact O-N 3.48Å; E162-R165 PolarHBondContact O-N 2.91Å; E162-R165 IonicContact OE1-CZ 3.77Å; E162-R165 IonicContact OE1-NE 3.73Å; E162-R165 IonicContact OE1-NH2 3.79Å; E162-R165 PolarHBondContact OE1-NH2 2.85Å; E162-R165 IonicContact OE2-CZ 2.72Å; E162-R165 IonicContact OE2-NE 3.43Å; E162-R165 PolarHBondContact OE2-NE 2.59Å; E162-R165 IonicContact OE2-NH2 3.89Å; E162-R165 PolarHBondContact OE2-NH2 2.93Å; R165-D167 VanDerWaalsContact C-N 3.33Å; R165-D167 PolarHBondContact O-N 2.99Å; R165-F168 PolarHBondContact O-N 2.6Å; R165-D169 IonicContact CZ-OD2 2.87Å; R165-D169 IonicContact NH1-OD2 2.79Å; R165-D169 PolarHBondContact NH1-OD2 2.87Å; R165-D169 WeakPolarHBondContact O-CB 3.43Å; R165-D169 VanDerWaalsContact O-CG 3.3Å; R165-D169 PolarHBondContact O-N 2.81Å; R165-F190 HydrophobicContact CB-CD2 3.83Å; R165-F190 HydrophobicContact CB-CE2 3.68Å; R165-F190 HydrophobicContact CG-CD2 4.35Å; R165-F190 HydrophobicContact CG-CE2 3.84Å
166L91.8Very high91.2Very high0 Ų058.1 Ų58.10%028%0.276CS..Hα-helixtrans-62.9-36178.5-68163.5000113.7K12 Q15 R16 E162 R164 Y170K12-L166 HydrophobicContact CB-CB 4.43Å; K12-L166 HydrophobicContact CG-CB 4.37Å; Q15-L166 HydrophobicContact CB-CD2 4.16Å; Q15-L166 HydrophobicContact CG-CB 4.4Å; Q15-L166 HydrophobicContact CG-CD2 3.74Å; R16-L166 HydrophobicContact CB-CD2 4.5Å; R16-L166 HydrophobicContact CG-CD1 3.47Å; R16-L166 VanDerWaalsContact CG-CD1 3.47Å; R16-L166 HydrophobicContact CG-CD2 3.6Å; R16-L166 HydrophobicContact CG-CG 4.18Å; E162-L166 HydrophobicContact CG-CD1 4.22Å; E162-L166 WeakPolarHBondContact O-CD1 3.37Å; E162-L166 VanDerWaalsContact O-CG 3.26Å; E162-L166 WeakPolarHBondContact O-CG 3.28Å; E162-L166 PolarHBondContact O-N 3.4Å; E162-L166 VanDerWaalsContact O-N 3.14Å; R164-L166 VanDerWaalsContact C-N 3.31Å; R164-L166 PolarHBondContact O-N 3.47Å; L166-Y170 VanDerWaalsContact O-CB 3.28Å; L166-Y170 WeakPolarHBondContact O-CB 3.3Å; L166-Y170 PolarHBondContact O-N 3.36Å; L166-Y170 VanDerWaalsContact O-N 3.07Å
167D91.1Very high90.5Very high7 Ų760.4 Ų60.44%0.03728%0.284CS..Hα-helixtrans-70.4-41.4177.6-171.155.2000110.8K8 R164 R165 K171K8-D167 WeakPolarHBondContact CE-OD1 3.27Å; K8-D167 WeakPolarHBondContact CE-OD2 3.39Å; K8-D167 IonicContact NZ-OD1 3.95Å; K8-D167 IonicContact NZ-OD2 2.85Å; K8-D167 PolarHBondContact NZ-OD2 3.39Å; R164-D167 WeakPolarHBondContact O-CB 3.38Å; R164-D167 PolarHBondContact O-N 2.95Å; R164-D167 VanDerWaalsContact O-N 3.09Å; R165-D167 VanDerWaalsContact C-N 3.33Å; R165-D167 PolarHBondContact O-N 2.99Å; D167-K171 WeakPolarHBondContact O-CG 3.31Å; D167-K171 PolarHBondContact O-N 3.13Å; D167-K171 VanDerWaalsContact O-N 3.16Å
168F91.8Very high89.9Confident18 Ų1860.3 Ų60.38%0.07929%0.285CS..Hα-helixtrans-63.7-50.1174.2173.4-112.9000111.4R164 R165 Y170 K171 K172 L183 A186 L187 F190R164-F168 PolarHBondContact O-N 3.49Å; R165-F168 PolarHBondContact O-N 2.6Å; F168-Y170 VanDerWaalsContact C-N 3.32Å; F168-Y170 PolarHBondContact O-N 2.95Å; F168-K171 PolarHBondContact O-N 3.08Å; F168-K171 VanDerWaalsContact O-N 3.13Å; F168-K172 HydrophobicContact CE1-CD 4.02Å; F168-K172 HydrophobicContact CZ-CD 4.01Å; F168-K172 VanDerWaalsContact O-CB 3.3Å; F168-K172 WeakPolarHBondContact O-CB 3.26Å; F168-K172 PolarHBondContact O-N 3.41Å; F168-L183 HydrophobicContact CD2-CD1 4.13Å; F168-L183 HydrophobicContact CE2-CD1 3.91Å; F168-A186 HydrophobicContact CB-CB 4.49Å; F168-A186 HydrophobicContact CD2-CB 4.34Å; F168-L187 HydrophobicContact CD2-CB 3.98Å; F168-L187 HydrophobicContact CD2-CD1 4.41Å; F168-L187 HydrophobicContact CE1-CD1 4.23Å; F168-L187 HydrophobicContact CE2-CB 3.7Å; F168-L187 HydrophobicContact CE2-CD1 3.87Å; F168-L187 HydrophobicContact CE2-CG 4.25Å; F168-L187 HydrophobicContact CZ-CB 4.44Å; F168-L187 HydrophobicContact CZ-CD1 3.76Å; F168-F190 HydrophobicContact CB-CB 4.49Å
169D90.2Very high89.6Confident7 Ų762.8 Ų62.84%0.03730%0.301CS..Hα-helixtrans-62.7-38.6-179.1-71.1-23.4000112.3Q15 G26 T27 R165 K173Q15-D169 HydrophobicContact CG-CB 4.17Å; Q15-D169 VanDerWaalsContact NE2-CB 3.34Å; G26-D169 WeakPolarHBondContact CA-OD2 3.47Å; T27-D169 WeakPolarHBondContact CB-OD1 3.36Å; T27-D169 PolarHBondContact N-OD1 2.97Å; T27-D169 PolarHBondContact N-OD2 3.29Å; T27-D169 PolarHBondContact OG1-OD1 3.13Å; R165-D169 IonicContact CZ-OD2 2.87Å; R165-D169 IonicContact NH1-OD2 2.79Å; R165-D169 PolarHBondContact NH1-OD2 2.87Å; R165-D169 WeakPolarHBondContact O-CB 3.43Å; R165-D169 VanDerWaalsContact O-CG 3.3Å; R165-D169 PolarHBondContact O-N 2.81Å; D169-K173 WeakPolarHBondContact O-CG 3.29Å; D169-K173 PolarHBondContact O-N 3.46Å
170Y89Confident89.2Confident33 Ų3363.1 Ų63.113%0.12931%0.305CS..Hα-helixtrans-60.3-46.9173.6-179.7-92000112H11 T14 L166 F168 R174H11-Y170 HydrophobicContact CB-CD1 3.93Å; H11-Y170 HydrophobicContact CB-CD2 4.16Å; H11-Y170 HydrophobicContact CB-CE1 3.98Å; H11-Y170 HydrophobicContact CB-CE2 4.19Å; H11-Y170 HydrophobicContact CB-CG 4.03Å; H11-Y170 AromaticContact CD2-CE1 3.81Å; H11-Y170 AromaticContact CD2-CZ 3.59Å; H11-Y170 PolarHBondContact CD2-OH 3.11Å; H11-Y170 AromaticContact CG-CE1 3.63Å; H11-Y170 AromaticContact CG-CZ 3.8Å; H11-Y170 AromaticContact ND1-CE1 3.85Å; T14-Y170 HydrophobicContact CG2-CE2 4.43Å; L166-Y170 VanDerWaalsContact O-CB 3.28Å; L166-Y170 WeakPolarHBondContact O-CB 3.3Å; L166-Y170 PolarHBondContact O-N 3.36Å; L166-Y170 VanDerWaalsContact O-N 3.07Å; F168-Y170 VanDerWaalsContact C-N 3.32Å; F168-Y170 PolarHBondContact O-N 2.95Å; Y170-R174 PolarHBondContact O-N 3.03Å; Y170-R174 PolarHBondContact OH-NH1 3.49Å
171K89.4Confident88.9Confident40 Ų4064.3 Ų64.317%0.17432%0.317CS..Hα-helixtrans-69.1-40.5179.7-77.7177165.1-166.40112.1D167 F168 K173 R174 Q175 V178 E182 L183 A186D167-K171 WeakPolarHBondContact O-CG 3.31Å; D167-K171 PolarHBondContact O-N 3.13Å; D167-K171 VanDerWaalsContact O-N 3.16Å; F168-K171 PolarHBondContact O-N 3.08Å; F168-K171 VanDerWaalsContact O-N 3.13Å; K171-K173 VanDerWaalsContact C-N 3.34Å; K171-K173 PolarHBondContact O-N 3.25Å; K171-R174 CarbonylContact O-C 3.35Å; K171-R174 PolarHBondContact O-N 2.96Å; K171-Q175 PolarHBondContact O-N 2.75Å; K171-V178 HydrophobicContact CB-CG1 4.21Å; K171-V178 HydrophobicContact CB-CG2 4.47Å; K171-V178 HydrophobicContact CD-CG1 4.43Å; K171-V178 HydrophobicContact CG-CG1 4.21Å; K171-V178 HydrophobicContact CG-CG2 4.4Å; K171-E182 PolarHBondContact NZ-O 3.37Å; K171-L183 HydrophobicContact CB-CD1 3.97Å; K171-A186 HydrophobicContact CD-CB 3.65Å
172K87.6Confident88.7Confident101 Ų10168.8 Ų68.844%0.43934%0.337SS..Hα-helixtrans-58.7-43.2176.3-174.5-179.7179.2-1800111.6F168 R174 Q175 L183F168-K172 HydrophobicContact CE1-CD 4.02Å; F168-K172 HydrophobicContact CZ-CD 4.01Å; F168-K172 VanDerWaalsContact O-CB 3.3Å; F168-K172 WeakPolarHBondContact O-CB 3.26Å; F168-K172 PolarHBondContact O-N 3.41Å; K172-R174 PolarHBondContact O-N 3.08Å; K172-Q175 VanDerWaalsContact O-CG 3.22Å; K172-Q175 WeakPolarHBondContact O-CG 3.48Å; K172-Q175 PolarHBondContact O-N 2.71Å; K172-L183 HydrophobicContact CB-CD1 4.2Å
173K87Confident88.4Confident100 Ų10067.4 Ų67.444%0.43533%0.332SS..Hα-helixtrans-65.7-21.4174.8-77.2175.2-179.7170.60114Q15 S18 D169 K171Q15-K173 VanDerWaalsContact OE1-NZ 3.07Å; S18-K173 PolarHBondContact OG-NZ 3.43Å; D169-K173 WeakPolarHBondContact O-CG 3.29Å; D169-K173 PolarHBondContact O-N 3.46Å; K171-K173 VanDerWaalsContact C-N 3.34Å; K171-K173 PolarHBondContact O-N 3.25Å
174R85.4Confident88.3Confident102 Ų10274.3 Ų74.339%0.38536%0.36SS..THydrogen-bonded Turntrans-112.328.6-177.3-59.9-171.578.7-166.61.5112.6Y170 K171 K172 A176 K177 V178Y170-R174 PolarHBondContact O-N 3.03Å; Y170-R174 PolarHBondContact OH-NH1 3.49Å; K171-R174 CarbonylContact O-C 3.35Å; K171-R174 PolarHBondContact O-N 2.96Å; K172-R174 PolarHBondContact O-N 3.08Å; R174-A176 PolarHBondContact O-N 3.31Å; R174-K177 PolarHBondContact O-N 3.05Å; R174-V178 HydrophobicContact CB-CG2 4.05Å; R174-V178 WeakPolarHBondContact O-CG2 3.34Å; R174-V178 PolarHBondContact O-N 3.37Å
175Q76.8Confident88.3Confident116 Ų11673 Ų7354%0.54236%0.362SS..G310 helixtrans-47.3-32.9179.6-87.1169.25.600114.2K171 K172 K177 L183K171-Q175 PolarHBondContact O-N 2.75Å; K172-Q175 VanDerWaalsContact O-CG 3.22Å; K172-Q175 WeakPolarHBondContact O-CG 3.48Å; K172-Q175 PolarHBondContact O-N 2.71Å; Q175-K177 PolarHBondContact O-N 3.47Å; Q175-L183 HydrophobicContact CG-CD2 3.82Å
176A79.1Confident88.1Confident107 Ų10772.1 Ų72.188%0.88436%0.36SS*.G310 helixtrans-67.5-13.5175.900000115.2R174R174-A176 PolarHBondContact O-N 3.31Å
177K82.9Confident88.1Confident166 Ų16675.3 Ų75.372%0.72238%0.376SS*.G310 helixtrans-127.83.8-176-64.8-175.2178.1-176.80113.2R174 Q175R174-K177 PolarHBondContact O-N 3.05Å; Q175-K177 PolarHBondContact O-N 3.47Å
178V84.7Confident88.3Confident27 Ų2780.4 Ų80.416%0.16440%0.4CS..SBendtrans-121134.9-177.9176.30000107.2K171 R174 E182 L183K171-V178 HydrophobicContact CB-CG1 4.21Å; K171-V178 HydrophobicContact CB-CG2 4.47Å; K171-V178 HydrophobicContact CD-CG1 4.43Å; K171-V178 HydrophobicContact CG-CG1 4.21Å; K171-V178 HydrophobicContact CG-CG2 4.4Å; R174-V178 HydrophobicContact CB-CG2 4.05Å; R174-V178 WeakPolarHBondContact O-CG2 3.34Å; R174-V178 PolarHBondContact O-N 3.37Å; V178-E182 HydrophobicContact CG1-CB 3.75Å; V178-L183 HydrophobicContact CG1-CB 4.46Å
179T89.9Confident88.5Confident78 Ų7884 Ų8448%0.47942%0.416SS..  trans-70.3153.8178.864.40000110.8D181 E182 L183T179-D181 VanDerWaalsContact C-N 3.26Å; T179-D181 PolarHBondContact O-N 3.08Å; T179-E182 PolarHBondContact O-N 3.48Å; T179-E182 VanDerWaalsContact O-N 3.13Å; T179-E182 WeakPolarHBondContact OG1-CB 3.39Å; T179-E182 VanDerWaalsContact OG1-CG 3.25Å; T179-E182 WeakPolarHBondContact OG1-CG 3.39Å; T179-E182 PolarHBondContact OG1-N 3.38Å; T179-L183 PolarHBondContact O-N 3.04Å; T179-L183 VanDerWaalsContact O-N 3.11Å
180E88.2Confident88.8Confident169 Ų16984.3 Ų84.379%0.7942%0.416SS*.Hα-helixtrans-59.1-40.3178.5-164.8174.3177.100111.5E182 L183 K184E180-E182 PolarHBondContact O-N 2.98Å; E180-L183 PolarHBondContact O-N 3.31Å; E180-K184 WeakPolarHBondContact O-CB 3.48Å; E180-K184 PolarHBondContact O-N 3.37Å
181D90.7Very high89Confident128 Ų12886.2 Ų86.268%0.68443%0.429SS*.Hα-helixtrans-61-40.4175.1-65.1-32.6000112.7T179 L183 A185T179-D181 VanDerWaalsContact C-N 3.26Å; T179-D181 PolarHBondContact O-N 3.08Å; D181-L183 VanDerWaalsContact C-N 3.33Å; D181-L183 PolarHBondContact O-N 3.27Å; D181-A185 VanDerWaalsContact O-CB 3.28Å; D181-A185 WeakPolarHBondContact O-CB 3.43Å; D181-A185 PolarHBondContact O-N 3.09Å
182E90.3Very high89.4Confident98 Ų9888.2 Ų88.246%0.45844%0.441SS..Hα-helixtrans-69.7-31.2178.7-81.5-175.317000113K171 V178 T179 E180 A186K171-E182 PolarHBondContact NZ-O 3.37Å; V178-E182 HydrophobicContact CG1-CB 3.75Å; T179-E182 PolarHBondContact O-N 3.48Å; T179-E182 VanDerWaalsContact O-N 3.13Å; T179-E182 WeakPolarHBondContact OG1-CB 3.39Å; T179-E182 VanDerWaalsContact OG1-CG 3.25Å; T179-E182 WeakPolarHBondContact OG1-CG 3.39Å; T179-E182 PolarHBondContact OG1-N 3.38Å; E180-E182 PolarHBondContact O-N 2.98Å; E182-A186 WeakPolarHBondContact O-CB 3.35Å; E182-A186 PolarHBondContact O-N 3.23Å
183L88.6Confident89.8Confident33 Ų3384 Ų8417%0.17342%0.424CS..Hα-helixtrans-75-46.4175.5-176.965.6000110.5F168 K171 K172 Q175 V178 T179 E180 D181 A185 A186 L187F168-L183 HydrophobicContact CD2-CD1 4.13Å; F168-L183 HydrophobicContact CE2-CD1 3.91Å; K171-L183 HydrophobicContact CB-CD1 3.97Å; K172-L183 HydrophobicContact CB-CD1 4.2Å; Q175-L183 HydrophobicContact CG-CD2 3.82Å; V178-L183 HydrophobicContact CG1-CB 4.46Å; T179-L183 PolarHBondContact O-N 3.04Å; T179-L183 VanDerWaalsContact O-N 3.11Å; E180-L183 PolarHBondContact O-N 3.31Å; D181-L183 VanDerWaalsContact C-N 3.33Å; D181-L183 PolarHBondContact O-N 3.27Å; L183-A185 PolarHBondContact O-N 3.46Å; L183-A186 WeakPolarHBondContact O-CB 3.33Å; L183-A186 PolarHBondContact O-N 3.1Å; L183-L187 PolarHBondContact O-N 3.09Å
184K91.4Very high90.3Very high150 Ų15081.2 Ų81.265%0.65241%0.412SS*.Hα-helixtrans-58.6-46176.6-171.2176.5-178.4-179.80111.5E180 A186 L187 E188E180-K184 WeakPolarHBondContact O-CB 3.48Å; E180-K184 PolarHBondContact O-N 3.37Å; K184-A186 VanDerWaalsContact C-N 3.26Å; K184-A186 PolarHBondContact O-N 3.18Å; K184-L187 WeakPolarHBondContact O-CB 3.45Å; K184-L187 PolarHBondContact O-N 2.99Å; K184-E188 PolarHBondContact O-N 3.1Å
185A93.6Very high90.8Very high32 Ų3282.7 Ų82.726%0.26442%0.424SS..Hα-helixtrans-65.1-27.5176.100000113.3D181 L183 K189D181-A185 VanDerWaalsContact O-CB 3.28Å; D181-A185 WeakPolarHBondContact O-CB 3.43Å; D181-A185 PolarHBondContact O-N 3.09Å; L183-A185 PolarHBondContact O-N 3.46Å; A185-K189 WeakPolarHBondContact O-CB 3.13Å; A185-K189 VanDerWaalsContact O-CD 3.26Å; A185-K189 WeakPolarHBondContact O-CD 3.4Å; A185-K189 WeakPolarHBondContact O-CG 3.16Å; A185-K189 PolarHBondContact O-N 3.26Å
186A91.4Very high91.8Very high3 Ų380.4 Ų80.43%0.02542%0.418CS..Hα-helixtrans-76.5-36.9175.600000112.1F168 K171 E182 L183 K184 F190F168-A186 HydrophobicContact CB-CB 4.49Å; F168-A186 HydrophobicContact CD2-CB 4.34Å; K171-A186 HydrophobicContact CD-CB 3.65Å; E182-A186 WeakPolarHBondContact O-CB 3.35Å; E182-A186 PolarHBondContact O-N 3.23Å; L183-A186 WeakPolarHBondContact O-CB 3.33Å; L183-A186 PolarHBondContact O-N 3.1Å; K184-A186 VanDerWaalsContact C-N 3.26Å; K184-A186 PolarHBondContact O-N 3.18Å; A186-F190 PolarHBondContact O-N 3.44Å; A186-F190 VanDerWaalsContact O-N 3.14Å
187L92.1Very high92.7Very high66 Ų6675.3 Ų75.335%0.34638%0.376SS..Hα-helixtrans-63.7-52.3173.7179.357.9000111.1F168 L183 K184 K189 F190 D191F168-L187 HydrophobicContact CD2-CB 3.98Å; F168-L187 HydrophobicContact CD2-CD1 4.41Å; F168-L187 HydrophobicContact CE1-CD1 4.23Å; F168-L187 HydrophobicContact CE2-CB 3.7Å; F168-L187 HydrophobicContact CE2-CD1 3.87Å; F168-L187 HydrophobicContact CE2-CG 4.25Å; F168-L187 HydrophobicContact CZ-CB 4.44Å; F168-L187 HydrophobicContact CZ-CD1 3.76Å; L183-L187 PolarHBondContact O-N 3.09Å; K184-L187 WeakPolarHBondContact O-CB 3.45Å; K184-L187 PolarHBondContact O-N 2.99Å; L187-K189 VanDerWaalsContact C-N 3.3Å; L187-K189 PolarHBondContact O-N 3.01Å; L187-F190 HydrophobicContact CD1-CD1 4.35Å; L187-F190 WeakPolarHBondContact O-CA 3.49Å; L187-F190 WeakPolarHBondContact O-CB 3.41Å; L187-F190 PolarHBondContact O-N 3.37Å; L187-D191 PolarHBondContact O-N 3.35Å
188E95.3Very high93.3Very high115 Ų11570.2 Ų70.254%0.53735%0.354SS..Hα-helixtrans-53.5-47.3177.5-175.5-178.6-169.500111.3K184 F190 D191 D192K184-E188 PolarHBondContact O-N 3.1Å; E188-F190 VanDerWaalsContact C-N 3.26Å; E188-F190 PolarHBondContact O-N 2.92Å; E188-D191 PolarHBondContact O-N 3.37Å; E188-D192 WeakPolarHBondContact O-CB 3.49Å; E188-D192 PolarHBondContact O-N 3.47Å
189K95.8Very high93.9Very high94 Ų9473.7 Ų73.741%0.40937%0.369SS..Hα-helixtrans-64.3-27.8176.6-79164.3173.1151.60114.4R164 A185 L187 S193R164-K189 WeakPolarHBondContact CG-O 3.31Å; A185-K189 WeakPolarHBondContact O-CB 3.13Å; A185-K189 VanDerWaalsContact O-CD 3.26Å; A185-K189 WeakPolarHBondContact O-CD 3.4Å; A185-K189 WeakPolarHBondContact O-CG 3.16Å; A185-K189 PolarHBondContact O-N 3.26Å; L187-K189 VanDerWaalsContact C-N 3.3Å; L187-K189 PolarHBondContact O-N 3.01Å; K189-S193 WeakPolarHBondContact O-CB 3.34Å; K189-S193 PolarHBondContact O-N 3.03Å; K189-S193 PolarHBondContact O-OG 3.35Å
190F95.1Very high94.3Very high12 Ų1271.5 Ų71.55%0.05336%0.356CS..Hα-helixtrans-74.3-50.1174.5163.7-103.7000109.7T27 L29 L161 R164 R165 F168 A186 L187 E188 S193 K194T27-F190 HydrophobicContact CG2-CE1 4Å; T27-F190 HydrophobicContact CG2-CZ 3.9Å; L29-F190 HydrophobicContact CD2-CE2 4.35Å; L29-F190 HydrophobicContact CD2-CZ 3.98Å; L161-F190 HydrophobicContact CD1-CD2 3.63Å; L161-F190 HydrophobicContact CD1-CE2 3.54Å; R164-F190 HydrophobicContact CB-CB 4.19Å; R164-F190 HydrophobicContact CB-CD2 4.49Å; R165-F190 HydrophobicContact CB-CD2 3.83Å; R165-F190 HydrophobicContact CB-CE2 3.68Å; R165-F190 HydrophobicContact CG-CD2 4.35Å; R165-F190 HydrophobicContact CG-CE2 3.84Å; F168-F190 HydrophobicContact CB-CB 4.49Å; A186-F190 PolarHBondContact O-N 3.44Å; A186-F190 VanDerWaalsContact O-N 3.14Å; L187-F190 HydrophobicContact CD1-CD1 4.35Å; L187-F190 WeakPolarHBondContact O-CA 3.49Å; L187-F190 WeakPolarHBondContact O-CB 3.41Å; L187-F190 PolarHBondContact O-N 3.37Å; E188-F190 VanDerWaalsContact C-N 3.26Å; E188-F190 PolarHBondContact O-N 2.92Å; F190-S193 PolarHBondContact O-N 3.1Å; F190-S193 VanDerWaalsContact O-N 3.13Å; F190-K194 PolarHBondContact O-N 3.48Å
191D94.3Very high94.7Very high74 Ų7463.4 Ų63.440%0.39632%0.319SS..Hα-helixtrans-59.9-48.2178.9-66-25.4000111.4L187 E188 S193 K194 E195L187-D191 PolarHBondContact O-N 3.35Å; E188-D191 PolarHBondContact O-N 3.37Å; D191-S193 VanDerWaalsContact C-N 3.25Å; D191-S193 PolarHBondContact O-N 2.92Å; D191-K194 WeakPolarHBondContact O-CA 3.39Å; D191-K194 WeakPolarHBondContact O-CB 3.37Å; D191-K194 PolarHBondContact O-N 3.24Å; D191-E195 PolarHBondContact O-N 3.36Å
192D96.8Very high95Very high81 Ų8162 Ų6243%0.43331%0.306SS..Hα-helixtrans-56.9-39.6175.4-65.4-17.6000112.2E188 K194 V196E188-D192 WeakPolarHBondContact O-CB 3.49Å; E188-D192 PolarHBondContact O-N 3.47Å; D192-K194 VanDerWaalsContact C-N 3.32Å; D192-V196 VanDerWaalsContact O-CG2 3.28Å; D192-V196 WeakPolarHBondContact O-CG2 3.49Å; D192-V196 PolarHBondContact O-N 3.07Å
193S96.9Very high95.2Very high12 Ų1261.1 Ų61.18%0.08431%0.305CS..Hα-helixtrans-75.7-26.7-179.9-59.30000111.7K189 F190 D191 A197K189-S193 WeakPolarHBondContact O-CB 3.34Å; K189-S193 PolarHBondContact O-N 3.03Å; K189-S193 PolarHBondContact O-OG 3.35Å; F190-S193 PolarHBondContact O-N 3.1Å; F190-S193 VanDerWaalsContact O-N 3.13Å; D191-S193 VanDerWaalsContact C-N 3.25Å; D191-S193 PolarHBondContact O-N 2.92Å; S193-A197 WeakPolarHBondContact O-CB 3.35Å; S193-A197 PolarHBondContact O-N 2.96Å
194K96.2Very high95.5Very high42 Ų4260.5 Ų60.518%0.18330%0.302CS..Hα-helixtrans-71-51.3176.2-172.3-163.2171.2-158.20109.2L29 D30 F33 L161 F190 D191 D192 V196 A197 E198L29-K194 HydrophobicContact CD2-CD 4.28Å; L29-K194 HydrophobicContact CD2-CG 4.39Å; D30-K194 WeakPolarHBondContact OD2-CE 3.44Å; D30-K194 IonicContact OD2-NZ 2.68Å; D30-K194 PolarHBondContact OD2-NZ 3.44Å; F33-K194 HydrophobicContact CD2-CG 4.08Å; F33-K194 HydrophobicContact CE2-CG 3.85Å; L161-K194 HydrophobicContact CD1-CB 3.79Å; L161-K194 HydrophobicContact CD1-CG 4.45Å; L161-K194 HydrophobicContact CD2-CB 4.44Å; L161-K194 HydrophobicContact CD2-CG 4.38Å; F190-K194 PolarHBondContact O-N 3.48Å; D191-K194 WeakPolarHBondContact O-CA 3.39Å; D191-K194 WeakPolarHBondContact O-CB 3.37Å; D191-K194 PolarHBondContact O-N 3.24Å; D192-K194 VanDerWaalsContact C-N 3.32Å; K194-V196 VanDerWaalsContact C-N 3.32Å; K194-V196 PolarHBondContact O-N 2.88Å; K194-A197 PolarHBondContact O-N 3.29Å; K194-A197 VanDerWaalsContact O-N 3.09Å; K194-E198 IonicContact NZ-OE2 3.83Å; K194-E198 VanDerWaalsContact O-CB 3.26Å; K194-E198 WeakPolarHBondContact O-CB 3.41Å; K194-E198 PolarHBondContact O-N 2.89Å
195E96.4Very high95.6Very high134 Ų13455.1 Ų55.163%0.62628%0.28SS*.Hα-helixtrans-56.1-45.4179.6-173.4179177.500111.7D191 A197 E198 Q199D191-E195 PolarHBondContact O-N 3.36Å; E195-A197 PolarHBondContact O-N 3.44Å; E195-E198 PolarHBondContact O-N 2.99Å; E195-Q199 VanDerWaalsContact O-CB 3.31Å; E195-Q199 WeakPolarHBondContact O-CB 3.36Å; E195-Q199 PolarHBondContact O-N 2.91Å
196V97.8Very high95.5Very high68 Ų6859.6 Ų59.641%0.41230%0.296SS..Hα-helixtrans-63.9-43.2176.9174.60000112H157 D192 K194 S200H157-V196 VanDerWaalsContact CE1-CG1 3.42Å; H157-V196 WeakPolarHBondContact CE1-CG1 3.44Å; H157-V196 WeakPolarHBondContact ND1-CG1 3.48Å; D192-V196 VanDerWaalsContact O-CG2 3.28Å; D192-V196 WeakPolarHBondContact O-CG2 3.49Å; D192-V196 PolarHBondContact O-N 3.07Å; K194-V196 VanDerWaalsContact C-N 3.32Å; K194-V196 PolarHBondContact O-N 2.88Å; V196-S200 WeakPolarHBondContact O-CB 3.42Å; V196-S200 PolarHBondContact O-N 2.86Å; V196-S200 VanDerWaalsContact O-N 3.12Å; V196-S200 PolarHBondContact O-OG 3.19Å; V196-S200 VanDerWaalsContact O-OG 3.06Å
197A97.6Very high95.3Very high0 Ų062 Ų620%031%0.312CS..Hα-helixtrans-66-43.2178.600000111.4F33 H157 L158 L161 S193 K194 E195 S200 M201F33-A197 HydrophobicContact CE2-CB 4.3Å; F33-A197 HydrophobicContact CZ-CB 4.14Å; H157-A197 HydrophobicContact CB-CB 3.97Å; L158-A197 HydrophobicContact CD2-CB 4.22Å; L161-A197 HydrophobicContact CD2-CB 4.21Å; S193-A197 WeakPolarHBondContact O-CB 3.35Å; S193-A197 PolarHBondContact O-N 2.96Å; K194-A197 PolarHBondContact O-N 3.29Å; K194-A197 VanDerWaalsContact O-N 3.09Å; E195-A197 PolarHBondContact O-N 3.44Å; A197-S200 PolarHBondContact O-N 3.33Å; A197-M201 VanDerWaalsContact O-CG 3.28Å; A197-M201 WeakPolarHBondContact O-CG 3.46Å; A197-M201 PolarHBondContact O-N 3.14Å
198E97Very high95Very high59 Ų5963.5 Ų63.528%0.27632%0.32SS..Hα-helixtrans-61.9-49.5179.5-166.9167-176.900111.2F33 M36 K194 E195 S200 M201 F202F33-E198 HydrophobicContact CD2-CB 4Å; F33-E198 HydrophobicContact CD2-CG 4.06Å; F33-E198 HydrophobicContact CE2-CB 3.92Å; F33-E198 HydrophobicContact CE2-CG 4.47Å; M36-E198 HydrophobicContact CE-CG 3.68Å; K194-E198 IonicContact NZ-OE2 3.83Å; K194-E198 VanDerWaalsContact O-CB 3.26Å; K194-E198 WeakPolarHBondContact O-CB 3.41Å; K194-E198 PolarHBondContact O-N 2.89Å; E195-E198 PolarHBondContact O-N 2.99Å; E198-S200 PolarHBondContact O-N 3Å; E198-M201 PolarHBondContact O-N 2.84Å; E198-F202 WeakPolarHBondContact O-CB 3.06Å; E198-F202 PolarHBondContact O-N 3.15Å
199Q97.3Very high94.7Very high100 Ų10064 Ų6447%0.46733%0.326SS..Hα-helixtrans-61.4-42.5177.6-171.664.661.500112E195 F202 N203E195-Q199 VanDerWaalsContact O-CB 3.31Å; E195-Q199 WeakPolarHBondContact O-CB 3.36Å; E195-Q199 PolarHBondContact O-N 2.91Å; Q199-F202 PolarHBondContact O-N 2.94Å; Q199-N203 PolarHBondContact NE2-OD1 2.69Å; Q199-N203 WeakPolarHBondContact O-CB 3.08Å; Q199-N203 PolarHBondContact O-N 3.41Å; Q199-N203 PolarHBondContact O-ND2 3.01Å; Q199-N203 PolarHBondContact O-OD1 3.43Å
200S97.1Very high94.4Very high31 Ų3165.1 Ų65.122%0.21733%0.332CS..Hα-helixtrans-66.9-39.4178.5-630000112.3V196 A197 E198 L204V196-S200 WeakPolarHBondContact O-CB 3.42Å; V196-S200 PolarHBondContact O-N 2.86Å; V196-S200 VanDerWaalsContact O-N 3.12Å; V196-S200 PolarHBondContact O-OG 3.19Å; V196-S200 VanDerWaalsContact O-OG 3.06Å; A197-S200 PolarHBondContact O-N 3.33Å; E198-S200 PolarHBondContact O-N 3Å; S200-L204 PolarHBondContact O-N 2.97Å
201M97.1Very high94.1Very high0 Ų066.1 Ų66.10%034%0.337CS..Hα-helixtrans-65.1-44.8174-70.4-171.4-61.100111.6F33 M36 E37 V40 I154 L158 A197 E198 L204 L205F33-M201 HydrophobicContact CD1-CE 4.15Å; F33-M201 HydrophobicContact CD2-CE 3.91Å; F33-M201 HydrophobicContact CE1-CE 3.76Å; F33-M201 HydrophobicContact CE2-CE 3.53Å; F33-M201 HydrophobicContact CG-CE 4.21Å; F33-M201 HydrophobicContact CZ-CE 3.43Å; F33-M201 VanDerWaalsContact CZ-CE 3.43Å; M36-M201 HydrophobicContact CB-CB 4.27Å; M36-M201 HydrophobicContact CB-CE 4.1Å; M36-M201 HydrophobicContact CB-SD 4.25Å; E37-M201 VanDerWaalsContact CA-SD 3.6Å; E37-M201 HydrophobicContact CB-SD 4.08Å; V40-M201 HydrophobicContact CG2-CB 4Å; V40-M201 HydrophobicContact CG2-CG 3.89Å; V40-M201 HydrophobicContact CG2-SD 4.38Å; I154-M201 HydrophobicContact CG2-CG 3.67Å; L158-M201 HydrophobicContact CD1-SD 4.32Å; L158-M201 HydrophobicContact CD2-CE 4.25Å; L158-M201 HydrophobicContact CD2-SD 3.93Å; A197-M201 VanDerWaalsContact O-CG 3.28Å; A197-M201 WeakPolarHBondContact O-CG 3.46Å; A197-M201 PolarHBondContact O-N 3.14Å; E198-M201 PolarHBondContact O-N 2.84Å; M201-L204 PolarHBondContact O-N 3.21Å; M201-L205 VanDerWaalsContact O-CG 3.31Å; M201-L205 WeakPolarHBondContact O-CG 3.5Å; M201-L205 PolarHBondContact O-N 3.12Å
202F96.4Very high94.1Very high97 Ų9766.9 Ų66.943%0.42534%0.344SS..Hα-helixtrans-59.3-49.9178.3-178.7-95.4000111.5M36 E198 Q199 L204 L205 E206M36-F202 HydrophobicContact SD-CB 4.26Å; M36-F202 HydrophobicContact SD-CD2 4.48Å; E198-F202 WeakPolarHBondContact O-CB 3.06Å; E198-F202 PolarHBondContact O-N 3.15Å; Q199-F202 PolarHBondContact O-N 2.94Å; F202-L204 VanDerWaalsContact C-N 3.29Å; F202-L204 PolarHBondContact O-N 3.01Å; F202-L205 PolarHBondContact O-N 3.07Å; F202-L205 VanDerWaalsContact O-N 3.13Å; F202-E206 HydrophobicContact CD1-CG 4.03Å; F202-E206 HydrophobicContact CD2-CG 4.2Å; F202-E206 HydrophobicContact CE1-CG 3.61Å; F202-E206 HydrophobicContact CE2-CG 3.78Å; F202-E206 HydrophobicContact CG-CG 4.31Å; F202-E206 HydrophobicContact CZ-CG 3.46Å; F202-E206 VanDerWaalsContact CZ-CG 3.46Å; F202-E206 WeakPolarHBondContact O-CB 3.38Å; F202-E206 WeakPolarHBondContact O-CG 3.43Å; F202-E206 PolarHBondContact O-N 3.37Å
203N95.1Very high94Very high81 Ų8166.9 Ų66.943%0.43335%0.35SS..Hα-helixtrans-58.8-40.6-180-69.9-11.9000112.5Q199 S207Q199-N203 PolarHBondContact NE2-OD1 2.69Å; Q199-N203 WeakPolarHBondContact O-CB 3.08Å; Q199-N203 PolarHBondContact O-N 3.41Å; Q199-N203 PolarHBondContact O-ND2 3.01Å; Q199-N203 PolarHBondContact O-OD1 3.43Å; N203-S207 WeakPolarHBondContact O-CB 3.38Å; N203-S207 PolarHBondContact O-N 3.07Å; N203-S207 PolarHBondContact O-OG 3.36Å
204L94.8Very high93.8Very high19 Ų1967.4 Ų67.410%0.09935%0.351CS..Hα-helixtrans-63.8-46176.4175.770.7000111.4V40 L146 L151 I154 S200 M201 F202 S207V40-L204 HydrophobicContact CG1-CD2 4.03Å; V40-L204 HydrophobicContact CG2-CD2 4Å; L146-L204 HydrophobicContact CD1-CD1 3.76Å; L151-L204 HydrophobicContact CD2-CD2 3.57Å; I154-L204 HydrophobicContact CD1-CB 3.82Å; I154-L204 HydrophobicContact CD1-CD2 3.49Å; I154-L204 VanDerWaalsContact CD1-CD2 3.49Å; I154-L204 HydrophobicContact CD1-CG 4.19Å; S200-L204 PolarHBondContact O-N 2.97Å; M201-L204 PolarHBondContact O-N 3.21Å; F202-L204 VanDerWaalsContact C-N 3.29Å; F202-L204 PolarHBondContact O-N 3.01Å; L204-S207 PolarHBondContact O-N 3.45Å
205L93.6Very high93.8Very high37 Ų3769.4 Ų69.419%0.19436%0.364CS..Hα-helixtrans-73.1-31.2-175.5-67.6175.4000112.9M36 R39 V40 M201 F202 S207M36-L205 HydrophobicContact CB-CD1 4.04Å; M36-L205 HydrophobicContact CG-CD1 3.89Å; R39-L205 HydrophobicContact CB-CD1 4.02Å; R39-L205 HydrophobicContact CB-CD2 3.88Å; V40-L205 HydrophobicContact CG2-CD1 4.2Å; V40-L205 HydrophobicContact CG2-CD2 4.19Å; V40-L205 HydrophobicContact CG2-CG 4.11Å; M201-L205 VanDerWaalsContact O-CG 3.31Å; M201-L205 WeakPolarHBondContact O-CG 3.5Å; M201-L205 PolarHBondContact O-N 3.12Å; F202-L205 PolarHBondContact O-N 3.07Å; F202-L205 VanDerWaalsContact O-N 3.13Å; L205-S207 VanDerWaalsContact C-N 3.31Å
206E92.3Very high93.9Very high127 Ų12764.9 Ų64.959%0.59335%0.349SS*.Hα-helixtrans-78.3-16.8174.3-70.1-64.9130.600113.1F202 D208F202-E206 HydrophobicContact CD1-CG 4.03Å; F202-E206 HydrophobicContact CD2-CG 4.2Å; F202-E206 HydrophobicContact CE1-CG 3.61Å; F202-E206 HydrophobicContact CE2-CG 3.78Å; F202-E206 HydrophobicContact CG-CG 4.31Å; F202-E206 HydrophobicContact CZ-CG 3.46Å; F202-E206 VanDerWaalsContact CZ-CG 3.46Å; F202-E206 WeakPolarHBondContact O-CB 3.38Å; F202-E206 WeakPolarHBondContact O-CG 3.43Å; F202-E206 PolarHBondContact O-N 3.37Å; E206-D208 VanDerWaalsContact C-N 3.31Å; E206-D208 PolarHBondContact O-N 2.87Å
207S87.1Confident93.8Very high53 Ų5362.9 Ų62.937%0.37134%0.34SS..THydrogen-bonded Turntrans-95.328.2177.8-52.60000112.6N203 L204 L205 I209 E210 Q211N203-S207 WeakPolarHBondContact O-CB 3.38Å; N203-S207 PolarHBondContact O-N 3.07Å; N203-S207 PolarHBondContact O-OG 3.36Å; L204-S207 PolarHBondContact O-N 3.45Å; L205-S207 VanDerWaalsContact C-N 3.31Å; S207-I209 PolarHBondContact O-N 3.48Å; S207-I209 VanDerWaalsContact O-N 3.16Å; S207-E210 PolarHBondContact O-N 3.24Å; S207-Q211 PolarHBondContact O-OE1 3.23Å
208D84.9Confident93.8Very high97 Ų9763.7 Ų63.752%0.51934%0.344SS..THydrogen-bonded Turntrans-65.1-17.8-174.373.4-15.7000114.5E206 E210 Q211 V212E206-D208 VanDerWaalsContact C-N 3.31Å; E206-D208 PolarHBondContact O-N 2.87Å; D208-E210 PolarHBondContact O-N 2.73Å; D208-Q211 PolarHBondContact O-N 3.15Å; D208-Q211 VanDerWaalsContact O-N 3.15Å; D208-Q211 PolarHBondContact O-OE1 3.48Å; D208-V212 PolarHBondContact O-N 3.39Å; D208-V212 VanDerWaalsContact O-N 3.09Å
209I89.3Confident93.9Very high126 Ų12665 Ų6565%0.64636%0.356SS*.Hα-helixtrans-58.3-32.1176.3-166.7166.4000112.7S207 V212 S213S207-I209 PolarHBondContact O-N 3.48Å; S207-I209 VanDerWaalsContact O-N 3.16Å; I209-V212 PolarHBondContact O-N 3.29Å; I209-S213 WeakPolarHBondContact O-CB 3.39Å; I209-S213 PolarHBondContact O-N 2.73Å
210E88.8Confident94Very high118 Ų11865.9 Ų65.955%0.55136%0.36SS*.Hα-helixtrans-66.4-42.4177.7-66.3-171.8176.100111S207 D208 S213 Q214S207-E210 PolarHBondContact O-N 3.24Å; D208-E210 PolarHBondContact O-N 2.73Å; E210-S213 WeakPolarHBondContact O-CB 3.32Å; E210-S213 PolarHBondContact O-N 2.8Å; E210-Q214 VanDerWaalsContact O-CG 3.22Å; E210-Q214 WeakPolarHBondContact O-CG 3.38Å; E210-Q214 PolarHBondContact O-N 3.21Å
211Q89.7Confident94Very high32 Ų3264.4 Ų64.415%0.1535%0.35CS..Hα-helixtrans-67.8-37.9177.3-66.875.315.800111.2L146 S207 D208 S213 Q214 L215L146-Q211 HydrophobicContact CD2-CG 3.77Å; S207-Q211 PolarHBondContact O-OE1 3.23Å; D208-Q211 PolarHBondContact O-N 3.15Å; D208-Q211 VanDerWaalsContact O-N 3.15Å; D208-Q211 PolarHBondContact O-OE1 3.48Å; Q211-S213 VanDerWaalsContact C-N 3.34Å; Q211-Q214 PolarHBondContact O-N 3.22Å; Q211-L215 PolarHBondContact O-N 3.09Å
212V93.4Very high94.1Very high91 Ų9166.8 Ų66.855%0.55236%0.361SS*.Hα-helixtrans-61.8-43.9172.6177.10000110.8D208 I209 Q214 L215 A216D208-V212 PolarHBondContact O-N 3.39Å; D208-V212 VanDerWaalsContact O-N 3.09Å; I209-V212 PolarHBondContact O-N 3.29Å; V212-Q214 VanDerWaalsContact C-N 3.33Å; V212-Q214 PolarHBondContact O-N 3.02Å; V212-L215 PolarHBondContact O-N 3.44Å; V212-A216 PolarHBondContact O-N 3.49Å
213S94.4Very high94.2Very high80 Ų8067.2 Ų67.256%0.55937%0.367SS*.Hα-helixtrans-63-38.1176.8-172.90000112.4I209 E210 Q211 A216 A217I209-S213 WeakPolarHBondContact O-CB 3.39Å; I209-S213 PolarHBondContact O-N 2.73Å; E210-S213 WeakPolarHBondContact O-CB 3.32Å; E210-S213 PolarHBondContact O-N 2.8Å; Q211-S213 VanDerWaalsContact C-N 3.34Å; S213-A216 PolarHBondContact O-N 2.83Å; S213-A217 PolarHBondContact O-N 2.88Å
214Q93.5Very high94.3Very high23 Ų2368.2 Ų68.211%0.10737%0.369CS..Hα-helixtrans-64.8-43.8176.4-70.1159.310.200111.2F139 P142 M143 E210 Q211 V212 A216 A217 L218F139-Q214 HydrophobicContact CD2-CB 4.22Å; F139-Q214 WeakPolarHBondContact CD2-O 3.47Å; P142-Q214 HydrophobicContact CB-CG 4.02Å; M143-Q214 PolarHBondContact SD-OE1 3.14Å; E210-Q214 VanDerWaalsContact O-CG 3.22Å; E210-Q214 WeakPolarHBondContact O-CG 3.38Å; E210-Q214 PolarHBondContact O-N 3.21Å; Q211-Q214 PolarHBondContact O-N 3.22Å; V212-Q214 VanDerWaalsContact C-N 3.33Å; V212-Q214 PolarHBondContact O-N 3.02Å; Q214-A216 VanDerWaalsContact C-N 3.33Å; Q214-A216 PolarHBondContact O-N 2.94Å; Q214-A217 WeakPolarHBondContact O-CB 3.37Å; Q214-A217 PolarHBondContact O-N 3.35Å; Q214-L218 PolarHBondContact O-N 3.5Å; Q214-L218 VanDerWaalsContact O-N 3.17Å
215L96.6Very high94.5Very high85 Ų8569.2 Ų69.245%0.44537%0.372SS..Hα-helixtrans-62.4-40.2174.5-72.7172.2000112.1F139 Q211 V212 A217 L218 V219F139-L215 HydrophobicContact CE2-CD2 4.02Å; Q211-L215 PolarHBondContact O-N 3.09Å; V212-L215 PolarHBondContact O-N 3.44Å; L215-A217 VanDerWaalsContact C-N 3.29Å; L215-A217 PolarHBondContact O-N 3.34Å; L215-L218 WeakPolarHBondContact O-CB 3.46Å; L215-L218 PolarHBondContact O-N 2.91Å; L215-V219 WeakPolarHBondContact O-CG2 3.48Å; L215-V219 PolarHBondContact O-N 3.43Å; L215-V219 VanDerWaalsContact O-N 3.15Å
216A97.4Very high94.8Very high38 Ų3872.4 Ų72.431%0.31439%0.385SS..Hα-helixtrans-60.7-40.2174.400000111.6V212 S213 Q214 L218 V219 H220V212-A216 PolarHBondContact O-N 3.49Å; S213-A216 PolarHBondContact O-N 2.83Å; Q214-A216 VanDerWaalsContact C-N 3.33Å; Q214-A216 PolarHBondContact O-N 2.94Å; A216-L218 VanDerWaalsContact C-N 3.35Å; A216-L218 PolarHBondContact O-N 2.92Å; A216-V219 PolarHBondContact O-N 3.48Å; A216-H220 WeakPolarHBondContact O-CB 3.32Å; A216-H220 VanDerWaalsContact O-CG 3.23Å; A216-H220 PolarHBondContact O-N 3.18Å; A216-H220 PolarHBondContact O-ND1 3.21Å
217A96.8Very high95.1Very high26 Ų2669.5 Ų69.522%0.21538%0.377CS..Hα-helixtrans-61-41.1176.500000112.6N138 S213 Q214 L215 H220 A221N138-A217 HydrophobicContact CB-CB 4.02Å; S213-A217 PolarHBondContact O-N 2.88Å; Q214-A217 WeakPolarHBondContact O-CB 3.37Å; Q214-A217 PolarHBondContact O-N 3.35Å; L215-A217 VanDerWaalsContact C-N 3.29Å; L215-A217 PolarHBondContact O-N 3.34Å; A217-H220 PolarHBondContact O-N 3.03Å; A217-A221 WeakPolarHBondContact O-CB 3.45Å; A217-A221 PolarHBondContact O-N 3.34Å
218L98.1Very high95.6Very high18 Ų1873.2 Ų73.29%0.09438%0.382CS..Hα-helixtrans-59.2-48.3173.9173.761.8000111.6T54 V135 F139 Q214 L215 A216 A221 Q222T54-L218 HydrophobicContact CG2-CD1 3.94Å; V135-L218 HydrophobicContact CB-CD1 4.49Å; V135-L218 HydrophobicContact CG1-CD1 3.67Å; V135-L218 HydrophobicContact CG2-CD1 3.92Å; F139-L218 HydrophobicContact CB-CB 4.34Å; F139-L218 HydrophobicContact CD1-CD1 4.47Å; F139-L218 HydrophobicContact CD1-CD2 4.36Å; F139-L218 HydrophobicContact CD2-CB 3.97Å; F139-L218 HydrophobicContact CE1-CD2 4.14Å; F139-L218 HydrophobicContact CE2-CB 4.45Å; F139-L218 HydrophobicContact CE2-CD2 4.29Å; F139-L218 HydrophobicContact CG-CB 4.01Å; F139-L218 HydrophobicContact CZ-CD2 4.1Å; Q214-L218 PolarHBondContact O-N 3.5Å; Q214-L218 VanDerWaalsContact O-N 3.17Å; L215-L218 WeakPolarHBondContact O-CB 3.46Å; L215-L218 PolarHBondContact O-N 2.91Å; A216-L218 VanDerWaalsContact C-N 3.35Å; A216-L218 PolarHBondContact O-N 2.92Å; L218-A221 PolarHBondContact O-N 3.2Å; L218-Q222 HydrophobicContact CD1-CG 4.4Å; L218-Q222 WeakPolarHBondContact O-CG 3.44Å; L218-Q222 PolarHBondContact O-N 2.93Å; L218-Q222 VanDerWaalsContact O-N 3.09Å
219V98.5Very high96.3Very high85 Ų8569.2 Ų69.252%0.51536%0.362SS..Hα-helixtrans-65.1-42.8-178.9174.70000111.3L215 A216 Q222 L223L215-V219 WeakPolarHBondContact O-CG2 3.48Å; L215-V219 PolarHBondContact O-N 3.43Å; L215-V219 VanDerWaalsContact O-N 3.15Å; A216-V219 PolarHBondContact O-N 3.48Å; V219-Q222 PolarHBondContact O-N 3.4Å; V219-L223 WeakPolarHBondContact O-CB 3.13Å; V219-L223 PolarHBondContact O-N 3.22Å
220H98.3Very high96.7Very high119 Ų11965.7 Ų65.755%0.55135%0.351SS*.Hα-helixtrans-62.9-43.4177.8-67.5140000112.1A216 A217 Q222 L223 Q224A216-H220 WeakPolarHBondContact O-CB 3.32Å; A216-H220 VanDerWaalsContact O-CG 3.23Å; A216-H220 PolarHBondContact O-N 3.18Å; A216-H220 PolarHBondContact O-ND1 3.21Å; A217-H220 PolarHBondContact O-N 3.03Å; H220-Q222 PolarHBondContact O-N 3.38Å; H220-L223 PolarHBondContact O-N 2.9Å; H220-Q224 WeakPolarHBondContact O-CB 3.47Å; H220-Q224 PolarHBondContact O-N 3.34Å
221A98.2Very high97.2Very high1 Ų163.8 Ų63.81%0.00834%0.343CS..Hα-helixtrans-60.8-44.5176.900000111.6L131 E134 V135 A217 L218 Q224 Y225L131-A221 HydrophobicContact CD1-CB 4.14Å; E134-A221 HydrophobicContact CB-CB 4.22Å; E134-A221 HydrophobicContact CG-CB 3.85Å; V135-A221 HydrophobicContact CG2-CB 3.74Å; A217-A221 WeakPolarHBondContact O-CB 3.45Å; A217-A221 PolarHBondContact O-N 3.34Å; L218-A221 PolarHBondContact O-N 3.2Å; A221-Q224 PolarHBondContact O-N 3.44Å; A221-Y225 WeakPolarHBondContact O-CB 3.29Å; A221-Y225 PolarHBondContact O-N 3.31Å
222Q98.6Very high97.6Very high50 Ų5063.2 Ų63.223%0.23434%0.34CS..Hα-helixtrans-63.9-42.8176-71.7178.4-44.100112.3Y57 L131 L218 V219 H220 Q224 Y225 H226Y57-Q222 VanDerWaalsContact CZ-NE2 3.33Å; Y57-Q222 PolarHBondContact OH-NE2 2.93Å; L131-Q222 HydrophobicContact CD1-CG 4.29Å; L218-Q222 HydrophobicContact CD1-CG 4.4Å; L218-Q222 WeakPolarHBondContact O-CG 3.44Å; L218-Q222 PolarHBondContact O-N 2.93Å; L218-Q222 VanDerWaalsContact O-N 3.09Å; V219-Q222 PolarHBondContact O-N 3.4Å; H220-Q222 PolarHBondContact O-N 3.38Å; Q222-Q224 VanDerWaalsContact C-N 3.34Å; Q222-Q224 PolarHBondContact O-N 3.29Å; Q222-Y225 PolarHBondContact O-N 3.37Å; Q222-H226 PolarHBondContact O-CD2 2.74Å; Q222-H226 PolarHBondContact O-N 3.02Å
223L98.7Very high97.9Very high106 Ų10662.7 Ų62.756%0.55533%0.334SS*.Hα-helixtrans-61.1-45177.5178.462.8000111.1V219 H220 H226 T227V219-L223 WeakPolarHBondContact O-CB 3.13Å; V219-L223 PolarHBondContact O-N 3.22Å; H220-L223 PolarHBondContact O-N 2.9Å; L223-H226 PolarHBondContact O-N 3.1Å; L223-T227 VanDerWaalsContact O-CB 3.31Å; L223-T227 WeakPolarHBondContact O-CB 3.23Å; L223-T227 PolarHBondContact O-N 3.17Å; L223-T227 PolarHBondContact O-OG1 3.42Å
224Q98.4Very high98.1Very high102 Ų10263.1 Ų63.148%0.47733%0.333SS..Hα-helixtrans-62.7-46.7177.4-178.6173-43.100111.4H220 A221 Q222 H226 T227 R228H220-Q224 WeakPolarHBondContact O-CB 3.47Å; H220-Q224 PolarHBondContact O-N 3.34Å; A221-Q224 PolarHBondContact O-N 3.44Å; Q222-Q224 VanDerWaalsContact C-N 3.34Å; Q222-Q224 PolarHBondContact O-N 3.29Å; Q224-H226 PolarHBondContact O-N 3.13Å; Q224-T227 PolarHBondContact O-N 3.19Å; Q224-R228 HydrophobicContact CG-CG 4.46Å; Q224-R228 WeakPolarHBondContact O-CB 3.31Å; Q224-R228 WeakPolarHBondContact O-CG 3.47Å; Q224-R228 PolarHBondContact O-N 3.46Å
225Y98.6Very high98.3Very high39 Ų3967.4 Ų67.415%0.15335%0.353CS..Hα-helixtrans-53.7-51.4175.3165.2-102.2000112.2V127 K128 L131 A221 Q222 S229V127-Y225 HydrophobicContact CG1-CD2 3.76Å; V127-Y225 HydrophobicContact CG1-CE2 4.34Å; K128-Y225 HydrophobicContact CB-CE2 3.97Å; K128-Y225 HydrophobicContact CD-CE2 3.89Å; L131-Y225 HydrophobicContact CB-CD2 3.86Å; L131-Y225 HydrophobicContact CB-CG 4.11Å; L131-Y225 HydrophobicContact CD1-CG 4.38Å; L131-Y225 HydrophobicContact CD2-CD1 3.89Å; L131-Y225 HydrophobicContact CD2-CD2 3.9Å; L131-Y225 HydrophobicContact CD2-CE1 4.29Å; L131-Y225 HydrophobicContact CD2-CE2 4.35Å; L131-Y225 HydrophobicContact CD2-CG 3.7Å; L131-Y225 HydrophobicContact CG-CD2 4.42Å; L131-Y225 HydrophobicContact CG-CG 4.27Å; A221-Y225 WeakPolarHBondContact O-CB 3.29Å; A221-Y225 PolarHBondContact O-N 3.31Å; Q222-Y225 PolarHBondContact O-N 3.37Å; Y225-S229 WeakPolarHBondContact O-CB 3.48Å; Y225-S229 PolarHBondContact O-N 2.91Å; Y225-S229 PolarHBondContact O-OG 2.74Å
226H98.8Very high98.4Very high105 Ų10564.1 Ų64.149%0.48634%0.336SS..Hα-helixtrans-68.7-37.7-178.2-75.4-58.6000112.4Q222 L223 Q224 S229 A230Q222-H226 PolarHBondContact O-CD2 2.74Å; Q222-H226 PolarHBondContact O-N 3.02Å; L223-H226 PolarHBondContact O-N 3.1Å; Q224-H226 PolarHBondContact O-N 3.13Å; H226-S229 PolarHBondContact O-N 3.49Å; H226-A230 WeakPolarHBondContact O-CB 3.27Å; H226-A230 PolarHBondContact O-N 3.28Å
227T98.8Very high98.4Very high66 Ų6665.2 Ų65.241%0.40534%0.342SS..Hα-helixtrans-62.3-50.4177.4-58.20000110.7L223 Q224 S229 A230 E231L223-T227 VanDerWaalsContact O-CB 3.31Å; L223-T227 WeakPolarHBondContact O-CB 3.23Å; L223-T227 PolarHBondContact O-N 3.17Å; L223-T227 PolarHBondContact O-OG1 3.42Å; Q224-T227 PolarHBondContact O-N 3.19Å; T227-S229 PolarHBondContact O-N 3.36Å; T227-A230 PolarHBondContact O-N 3.3Å; T227-E231 WeakPolarHBondContact O-CG 3.42Å; T227-E231 PolarHBondContact O-N 2.95Å
228R98.5Very high98.4Very high131 Ų13166.9 Ų66.949%0.49435%0.351SS..Hα-helixtrans-62.8-41.3177.6-69.1-56.9-165.9177.74.4112.6V127 Q224 A230 E231 I232V127-R228 HydrophobicContact CG1-CB 3.75Å; V127-R228 HydrophobicContact CG2-CB 4.16Å; Q224-R228 HydrophobicContact CG-CG 4.46Å; Q224-R228 WeakPolarHBondContact O-CB 3.31Å; Q224-R228 WeakPolarHBondContact O-CG 3.47Å; Q224-R228 PolarHBondContact O-N 3.46Å; R228-A230 VanDerWaalsContact C-N 3.31Å; R228-A230 PolarHBondContact O-N 2.79Å; R228-E231 VanDerWaalsContact CD-OE2 3.28Å; R228-E231 WeakPolarHBondContact CD-OE2 3.37Å; R228-E231 IonicContact CZ-OE2 3.68Å; R228-E231 IonicContact NE-OE2 3.61Å; R228-E231 IonicContact NH1-OE2 2.71Å; R228-E231 PolarHBondContact NH1-OE2 3.26Å; R228-E231 WeakPolarHBondContact O-CB 3.49Å; R228-E231 PolarHBondContact O-N 3.34Å; R228-I232 WeakPolarHBondContact O-CG1 3.47Å; R228-I232 PolarHBondContact O-N 2.84Å; R228-I232 VanDerWaalsContact O-N 3.08Å
229S98.7Very high98.3Very high13 Ų1371.2 Ų71.29%0.09137%0.369CS..Hα-helixtrans-60.7-42.6176.2-58.70000111.8Y225 H226 T227 I232 L233Y225-S229 WeakPolarHBondContact O-CB 3.48Å; Y225-S229 PolarHBondContact O-N 2.91Å; Y225-S229 PolarHBondContact O-OG 2.74Å; H226-S229 PolarHBondContact O-N 3.49Å; T227-S229 PolarHBondContact O-N 3.36Å; S229-I232 PolarHBondContact O-N 3.49Å; S229-L233 WeakPolarHBondContact O-CB 3.33Å; S229-L233 WeakPolarHBondContact O-CG 3.4Å; S229-L233 PolarHBondContact O-N 3.46Å
230A98.8Very high98.2Very high51 Ų5169.4 Ų69.442%0.42136%0.357SS..Hα-helixtrans-65.1-39.5176.900000112.2H226 T227 R228 L233 T234H226-A230 WeakPolarHBondContact O-CB 3.27Å; H226-A230 PolarHBondContact O-N 3.28Å; T227-A230 PolarHBondContact O-N 3.3Å; R228-A230 VanDerWaalsContact C-N 3.31Å; R228-A230 PolarHBondContact O-N 2.79Å; A230-L233 PolarHBondContact O-N 3.01Å; A230-T234 VanDerWaalsContact O-CB 3.26Å; A230-T234 WeakPolarHBondContact O-CB 3.39Å; A230-T234 PolarHBondContact O-N 3.36Å; A230-T234 PolarHBondContact O-OG1 2.89Å
231E98.6Very high98.1Very high79 Ų7968.1 Ų68.137%0.36935%0.354SS..Hα-helixtrans-58.5-48.8174.8-72.4171.7179.500111.5T227 R228 T234 Q235T227-E231 WeakPolarHBondContact O-CG 3.42Å; T227-E231 PolarHBondContact O-N 2.95Å; R228-E231 VanDerWaalsContact CD-OE2 3.28Å; R228-E231 WeakPolarHBondContact CD-OE2 3.37Å; R228-E231 IonicContact CZ-OE2 3.68Å; R228-E231 IonicContact NE-OE2 3.61Å; R228-E231 IonicContact NH1-OE2 2.71Å; R228-E231 PolarHBondContact NH1-OE2 3.26Å; R228-E231 WeakPolarHBondContact O-CB 3.49Å; R228-E231 PolarHBondContact O-N 3.34Å; E231-T234 PolarHBondContact O-N 3.07Å; E231-Q235 WeakPolarHBondContact O-CG 3.49Å; E231-Q235 PolarHBondContact O-N 3.06Å; E231-Q235 VanDerWaalsContact O-N 3.08Å
232I98.6Very high97.9Very high19 Ų1973.8 Ų73.810%0.09738%0.38CS..Hα-helixtrans-60-50.5178.6-67.1163.4000110.5A120 E123 L124 V127 R228 S229 T234 Q235 L236A120-I232 HydrophobicContact CB-CG2 3.92Å; E123-I232 HydrophobicContact CB-CD1 3.92Å; E123-I232 HydrophobicContact CB-CG2 4.44Å; L124-I232 HydrophobicContact CD2-CB 4.25Å; L124-I232 HydrophobicContact CD2-CD1 4.07Å; L124-I232 HydrophobicContact CD2-CG2 4.29Å; L124-I232 HydrophobicContact CG-CG2 4.2Å; V127-I232 HydrophobicContact CG2-CD1 3.71Å; R228-I232 WeakPolarHBondContact O-CG1 3.47Å; R228-I232 PolarHBondContact O-N 2.84Å; R228-I232 VanDerWaalsContact O-N 3.08Å; S229-I232 PolarHBondContact O-N 3.49Å; I232-T234 VanDerWaalsContact C-N 3.33Å; I232-T234 PolarHBondContact O-N 2.86Å; I232-Q235 PolarHBondContact O-N 3.25Å; I232-L236 PolarHBondContact O-N 2.94Å
233L98.6Very high97.6Very high81 Ų8174.4 Ų74.442%0.42438%0.38SS..Hα-helixtrans-65.7-35-178.2-71.8171.1000112.6M121 L124 S229 A230 L236 S237M121-L233 HydrophobicContact CE-CD2 4.11Å; L124-L233 HydrophobicContact CD1-CD2 3.99Å; L124-L233 HydrophobicContact CD1-CG 4.25Å; S229-L233 WeakPolarHBondContact O-CB 3.33Å; S229-L233 WeakPolarHBondContact O-CG 3.4Å; S229-L233 PolarHBondContact O-N 3.46Å; A230-L233 PolarHBondContact O-N 3.01Å; L233-L236 PolarHBondContact O-N 3.21Å; L233-S237 WeakPolarHBondContact O-CB 3.48Å; L233-S237 PolarHBondContact O-N 3.34Å
234T98.6Very high97.4Very high88 Ų8873.2 Ų73.254%0.5438%0.377SS..Hα-helixtrans-66.6-42.6176.7-59.40000111.2A230 E231 I232 S237 S238A230-T234 VanDerWaalsContact O-CB 3.26Å; A230-T234 WeakPolarHBondContact O-CB 3.39Å; A230-T234 PolarHBondContact O-N 3.36Å; A230-T234 PolarHBondContact O-OG1 2.89Å; E231-T234 PolarHBondContact O-N 3.07Å; I232-T234 VanDerWaalsContact C-N 3.33Å; I232-T234 PolarHBondContact O-N 2.86Å; T234-S237 PolarHBondContact O-N 3.28Å; T234-S238 PolarHBondContact O-N 3.5Å; T234-S238 VanDerWaalsContact O-N 3.1Å; T234-S238 PolarHBondContact O-OG 2.92Å
235Q98.1Very high97.1Very high114 Ų11476.1 Ų76.153%0.53338%0.383SS..Hα-helixtrans-64.4-44.1175.5-69.7175.840.700111.3E231 I232 S238 K239E231-Q235 WeakPolarHBondContact O-CG 3.49Å; E231-Q235 PolarHBondContact O-N 3.06Å; E231-Q235 VanDerWaalsContact O-N 3.08Å; I232-Q235 PolarHBondContact O-N 3.25Å; Q235-S238 PolarHBondContact O-N 3.07Å; Q235-K239 WeakPolarHBondContact O-CG 3.41Å; Q235-K239 PolarHBondContact O-N 2.9Å; Q235-K239 VanDerWaalsContact O-N 3.07Å
236L98.1Very high96.6Very high16 Ų1678.8 Ų78.88%0.08440%0.401CS..Hα-helixtrans-60.6-47.6176.1177.665.6000111.8D116 V117 A120 I232 L233 S238 K239 I240D116-L236 HydrophobicContact CB-CD1 4.38Å; V117-L236 HydrophobicContact CB-CD2 4.44Å; V117-L236 HydrophobicContact CG1-CD2 4.29Å; V117-L236 HydrophobicContact CG2-CD1 4.08Å; V117-L236 HydrophobicContact CG2-CD2 4.2Å; A120-L236 HydrophobicContact CB-CB 4.25Å; A120-L236 HydrophobicContact CB-CD1 4.2Å; A120-L236 HydrophobicContact CB-CD2 3.75Å; A120-L236 HydrophobicContact CB-CG 4.28Å; I232-L236 PolarHBondContact O-N 2.94Å; L233-L236 PolarHBondContact O-N 3.21Å; L236-S238 VanDerWaalsContact C-N 3.28Å; L236-S238 PolarHBondContact O-N 3.42Å; L236-K239 PolarHBondContact O-N 3.28Å; L236-I240 HydrophobicContact CD1-CD1 3.97Å; L236-I240 HydrophobicContact CD1-CG1 4.22Å; L236-I240 HydrophobicContact CD2-CD1 4.42Å; L236-I240 HydrophobicContact CG-CD1 3.85Å; L236-I240 HydrophobicContact CG-CG1 4.45Å; L236-I240 WeakPolarHBondContact O-CG1 3.4Å; L236-I240 PolarHBondContact O-N 2.77Å
237S98Very high96.1Very high61 Ų6176 Ų7643%0.42739%0.391SS..Hα-helixtrans-56.8-45178.7-170.30000111.2L233 T234 K239 I240 D241L233-S237 WeakPolarHBondContact O-CB 3.48Å; L233-S237 PolarHBondContact O-N 3.34Å; T234-S237 PolarHBondContact O-N 3.28Å; S237-K239 PolarHBondContact O-N 3.45Å; S237-I240 PolarHBondContact O-N 3.16Å; S237-D241 PolarHBondContact O-N 3.3Å
238S97.7Very high95.5Very high60 Ų6077.1 Ų77.142%0.4240%0.402SS..Hα-helixtrans-61.3-45178.4-56.10000111.7T234 Q235 L236 I240 D241 E242T234-S238 PolarHBondContact O-N 3.5Å; T234-S238 VanDerWaalsContact O-N 3.1Å; T234-S238 PolarHBondContact O-OG 2.92Å; Q235-S238 PolarHBondContact O-N 3.07Å; L236-S238 VanDerWaalsContact C-N 3.28Å; L236-S238 PolarHBondContact O-N 3.42Å; S238-I240 VanDerWaalsContact C-N 3.34Å; S238-I240 PolarHBondContact O-N 2.99Å; S238-D241 PolarHBondContact O-N 3.24Å; S238-E242 WeakPolarHBondContact O-CG 3.48Å; S238-E242 PolarHBondContact O-N 3.29Å
239K96.2Very high94.8Very high109 Ų10976.9 Ų76.947%0.47441%0.41SS..Hα-helixtrans-60.8-41175.9-72.2177.5-179.9178.30112.2Q235 L236 S237 R243Q235-K239 WeakPolarHBondContact O-CG 3.41Å; Q235-K239 PolarHBondContact O-N 2.9Å; Q235-K239 VanDerWaalsContact O-N 3.07Å; L236-K239 PolarHBondContact O-N 3.28Å; S237-K239 PolarHBondContact O-N 3.45Å; K239-R243 WeakPolarHBondContact O-CB 3.49Å; K239-R243 PolarHBondContact O-N 2.84Å; K239-R243 VanDerWaalsContact O-N 3.09Å
240I96.2Very high93.9Very high48 Ų4882.2 Ų82.225%0.24643%0.432CS..Hα-helixtrans-67-45.5178.4-68172.1000110.5V113 V117 L236 S237 S238 E242 R243 V244V113-I240 HydrophobicContact CG1-CD1 4.41Å; V113-I240 HydrophobicContact CG1-CG1 4.33Å; V117-I240 HydrophobicContact CG2-CD1 3.85Å; L236-I240 HydrophobicContact CD1-CD1 3.97Å; L236-I240 HydrophobicContact CD1-CG1 4.22Å; L236-I240 HydrophobicContact CD2-CD1 4.42Å; L236-I240 HydrophobicContact CG-CD1 3.85Å; L236-I240 HydrophobicContact CG-CG1 4.45Å; L236-I240 WeakPolarHBondContact O-CG1 3.4Å; L236-I240 PolarHBondContact O-N 2.77Å; S237-I240 PolarHBondContact O-N 3.16Å; S238-I240 VanDerWaalsContact C-N 3.34Å; S238-I240 PolarHBondContact O-N 2.99Å; I240-E242 VanDerWaalsContact C-N 3.34Å; I240-E242 PolarHBondContact O-N 2.95Å; I240-R243 PolarHBondContact O-N 3.42Å; I240-R243 VanDerWaalsContact O-N 3.14Å; I240-V244 HydrophobicContact CG2-CG2 4.18Å; I240-V244 VanDerWaalsContact O-CG2 3.32Å; I240-V244 WeakPolarHBondContact O-CG2 3.37Å; I240-V244 PolarHBondContact O-N 3.18Å
241D96Very high92.6Very high91 Ų9185.8 Ų85.849%0.48745%0.451SS..Hα-helixtrans-61.6-41.2179.7-74.8-27.9000112.2S237 S238 V244 R245S237-D241 PolarHBondContact O-N 3.3Å; S238-D241 PolarHBondContact O-N 3.24Å; D241-V244 PolarHBondContact O-N 3.21Å; D241-R245 WeakPolarHBondContact O-CB 3.5Å; D241-R245 PolarHBondContact O-N 3.44Å
242E94.3Very high91.3Very high120 Ų12093.8 Ų93.856%0.56148%0.477SS*.Hα-helixtrans-59.8-47.7172.4-74.3177.4-178.100111.1S238 I240 V244 R245 D246S238-E242 WeakPolarHBondContact O-CG 3.48Å; S238-E242 PolarHBondContact O-N 3.29Å; I240-E242 VanDerWaalsContact C-N 3.34Å; I240-E242 PolarHBondContact O-N 2.95Å; E242-V244 PolarHBondContact O-N 3Å; E242-R245 WeakPolarHBondContact O-CB 3.27Å; E242-R245 PolarHBondContact O-N 3.12Å; E242-D246 PolarHBondContact O-N 3.12Å
243R92.3Very high90Very high64 Ų64102.9 Ų102.924%0.24252%0.516CS..Hα-helixtrans-66.7-37-179.8-169.1-178.2-71.6-99.511.4113L112 V113 D116 K239 I240 R245 D246 T247L112-R243 VanDerWaalsContact CB-NH1 3.3Å; L112-R243 VanDerWaalsContact CD1-NH1 3.27Å; V113-R243 HydrophobicContact CG2-CG 4.49Å; D116-R243 IonicContact OD2-CZ 2.76Å; D116-R243 IonicContact OD2-NE 3.67Å; D116-R243 IonicContact OD2-NH2 3.88Å; D116-R243 PolarHBondContact OD2-NH2 3.49Å; K239-R243 WeakPolarHBondContact O-CB 3.49Å; K239-R243 PolarHBondContact O-N 2.84Å; K239-R243 VanDerWaalsContact O-N 3.09Å; I240-R243 PolarHBondContact O-N 3.42Å; I240-R243 VanDerWaalsContact O-N 3.14Å; R243-R245 VanDerWaalsContact C-N 3.33Å; R243-D246 PolarHBondContact O-N 3.37Å; R243-T247 VanDerWaalsContact O-CB 3.29Å; R243-T247 WeakPolarHBondContact O-CB 3.39Å; R243-T247 PolarHBondContact O-N 3.47Å; R243-T247 PolarHBondContact O-OG1 3.09Å
244V93.1Very high88.6Confident80 Ų80107.4 Ų107.449%0.48554%0.535SS..Hα-helixtrans-62.6-44.1174.3168.30000110I240 D241 E242 T247 S248I240-V244 HydrophobicContact CG2-CG2 4.18Å; I240-V244 VanDerWaalsContact O-CG2 3.32Å; I240-V244 WeakPolarHBondContact O-CG2 3.37Å; I240-V244 PolarHBondContact O-N 3.18Å; D241-V244 PolarHBondContact O-N 3.21Å; E242-V244 PolarHBondContact O-N 3Å; V244-T247 PolarHBondContact O-N 2.95Å; V244-S248 VanDerWaalsContact O-CB 3.31Å; V244-S248 WeakPolarHBondContact O-CB 3.26Å; V244-S248 PolarHBondContact O-N 3.21Å; V244-S248 PolarHBondContact O-OG 3.23Å
245R92.3Very high87.7Confident163 Ų163111.6 Ų111.662%0.61555%0.546SS*.Hα-helixtrans-61.1-49.3176.2-169.9-174.5-54.6-174.85.1111.4D241 E242 R243 T247 S248 N249D241-R245 WeakPolarHBondContact O-CB 3.5Å; D241-R245 PolarHBondContact O-N 3.44Å; E242-R245 WeakPolarHBondContact O-CB 3.27Å; E242-R245 PolarHBondContact O-N 3.12Å; R243-R245 VanDerWaalsContact C-N 3.33Å; R245-T247 VanDerWaalsContact C-N 3.33Å; R245-T247 PolarHBondContact O-N 3.1Å; R245-S248 PolarHBondContact O-N 3.27Å; R245-N249 PolarHBondContact O-N 2.94Å; R245-N249 PolarHBondContact O-ND2 2.83Å
246D89.3Confident86.7Confident96 Ų96111.9 Ų111.951%0.51356%0.555SS.*Hα-helixtrans-64.7-36.8-179.3-74.1-8.7000112.7E242 R243 K250E242-D246 PolarHBondContact O-N 3.12Å; R243-D246 PolarHBondContact O-N 3.37Å; D246-K250 WeakPolarHBondContact O-CG 3.33Å
247T87.5Confident85.5Confident46 Ų46115.2 Ų115.228%0.28258%0.578SS.*Hα-helixtrans-72.3-38.2177.7-55.60000111.5R243 V244 R245 N249 K250R243-T247 VanDerWaalsContact O-CB 3.29Å; R243-T247 WeakPolarHBondContact O-CB 3.39Å; R243-T247 PolarHBondContact O-N 3.47Å; R243-T247 PolarHBondContact O-OG1 3.09Å; V244-T247 PolarHBondContact O-N 2.95Å; R245-T247 VanDerWaalsContact C-N 3.33Å; R245-T247 PolarHBondContact O-N 3.1Å; T247-N249 PolarHBondContact O-N 2.93Å; T247-K250 PolarHBondContact O-N 3.49Å
248S85.8Confident84.6Confident90 Ų90121.6 Ų121.663%0.62960%0.598SS**Hα-helixtrans-66.8-27.3178.8-60.30000112.7V244 R245 K250V244-S248 VanDerWaalsContact O-CB 3.31Å; V244-S248 WeakPolarHBondContact O-CB 3.26Å; V244-S248 PolarHBondContact O-N 3.21Å; V244-S248 PolarHBondContact O-OG 3.23Å; R245-S248 PolarHBondContact O-N 3.27Å; S248-K250 VanDerWaalsContact C-N 3.32Å
249N83.3Confident83.4Confident125 Ų125124.5 Ų124.567%0.66862%0.616SS**THydrogen-bonded Turntrans-81.6-7.4176.9-68.4-28.8000113.7R245 T247R245-N249 PolarHBondContact O-N 2.94Å; R245-N249 PolarHBondContact O-ND2 2.83Å; T247-N249 PolarHBondContact O-N 2.93Å
250K79.7Confident82.1Confident126 Ų126130.9 Ų130.955%0.54864%0.637SS.*SBendtrans-84133.8179.1-72.8172.1-173.7174.30111D246 T247 S248 R252D246-K250 WeakPolarHBondContact O-CG 3.33Å; T247-K250 PolarHBondContact O-N 3.49Å; S248-K250 VanDerWaalsContact C-N 3.32Å; K250-R252 PolarHBondContact O-N 3.27Å
251P72Confident81Confident126 Ų126135.5 Ų135.582%0.81867%0.667SS**PPolyproline II helixtrans-61.5132.1174.323-30000110.4K253P251-K253 PolarHBondContact O-N 3.04Å
252R72.1Confident79.5Confident246 Ų246136.1 Ų136.193%0.92868%0.679SS**PPolyproline II helixtrans-62.9126.9178.9-73.4-174.6176.5-177.7-0.9109.7K250 E254K250-R252 PolarHBondContact O-N 3.27Å; R252-E254 PolarHBondContact O-N 3.38Å
253K72.1Confident77.8Confident210 Ų210137.1 Ų137.191%0.91369%0.687SS**PPolyproline II helixtrans-64.8121.2168.6-81-178.7177.1174.60108.6P251P251-K253 PolarHBondContact O-N 3.04Å
254E68Low75.9Confident177 Ų177140.5 Ų140.583%0.82771%0.71SS**PPolyproline II helixtrans-73.3132.5172.4-166169.1-169.900109.2R252 V256R252-E254 PolarHBondContact O-N 3.38Å; E254-V256 PolarHBondContact O-N 3.34Å; E254-V256 VanDerWaalsContact O-N 3.15Å
255F80.3Confident73.9Confident176 Ų176144.5 Ų144.577%0.77272%0.721SS**  trans-72.6108.4176.8174.3-104.2000109.1P257F255-P257 HydrophobicContact CD1-CB 4.5Å; F255-P257 HydrophobicContact CE1-CB 3.76Å; F255-P257 HydrophobicContact CE1-CG 4.39Å; F255-P257 HydrophobicContact CZ-CB 4.24Å; F255-P257 VanDerWaalsContact O-CD 3.26Å; F255-P257 WeakPolarHBondContact O-CD 2.85Å
256V76.6Confident71.6Confident119 Ų119141.2 Ų141.272%0.72172%0.723SS**  trans-92.2106.5170.6-176.10000107.8E254 K258E254-V256 PolarHBondContact O-N 3.34Å; E254-V256 VanDerWaalsContact O-N 3.15Å; V256-K258 PolarHBondContact O-N 2.83Å
257P73.3Confident69.4Low86 Ų86143.6 Ų143.656%0.55873%0.734SS**PPolyproline II helixtrans-61132.1177.522.2-30.4000109.6F255F255-P257 HydrophobicContact CD1-CB 4.5Å; F255-P257 HydrophobicContact CE1-CB 3.76Å; F255-P257 HydrophobicContact CE1-CG 4.39Å; F255-P257 HydrophobicContact CZ-CB 4.24Å; F255-P257 VanDerWaalsContact O-CD 3.26Å; F255-P257 WeakPolarHBondContact O-CD 2.85Å
258K78.4Confident67.2Low195 Ų195147 Ų14785%0.84876%0.76SS**PPolyproline II helixtrans-58.7141.2173.1-69.2-178.3178.9177.50109.1V256 R260V256-K258 PolarHBondContact O-N 2.83Å; K258-R260 PolarHBondContact O-N 3.04Å
259P73.7Confident65.2Low122 Ų122150.8 Ų150.879%0.79277%0.768SS**PPolyproline II helixtrans-51.4136.6174.8-23.331.4000110.2T261P259-T261 PolarHBondContact O-N 3.16Å
260R68.4Low63.2Low243 Ų243151.5 Ų151.592%0.91777%0.771SS**PPolyproline II helixtrans-55.4130.4172.8-80.1-178.9158.9135.8-3108.5K258 S262K258-R260 PolarHBondContact O-N 3.04Å; R260-S262 PolarHBondContact O-N 3.39Å
261T72.1Confident61.3Low145 Ų145154.8 Ų154.889%0.8979%0.788SS**  trans-54.7107.5174.6-28.20000108.8P259P259-T261 PolarHBondContact O-N 3.16Å
262S65.8Low59.7Low104 Ų104157 Ų15773%0.72779%0.793SS**  trans-83.9124.5173.552.30000108.6R260 D264R260-S262 PolarHBondContact O-N 3.39Å; S262-D264 PolarHBondContact O-N 3.29Å
263L57.3Low58Low140 Ų140148.8 Ų148.873%0.73379%0.785SS**  trans-70.7108.5161.7-96.992000107.7F265L263-F265 HydrophobicContact CB-CD2 4.4Å; L263-F265 HydrophobicContact CB-CE2 4.11Å; L263-F265 HydrophobicContact CD2-CE1 4.44Å; L263-F265 HydrophobicContact CD2-CE2 3.86Å; L263-F265 HydrophobicContact CD2-CZ 3.7Å; L263-F265 PolarHBondContact O-N 3.43Å
264D53.7Low56Low136 Ų136142.3 Ų142.373%0.72778%0.779SS**  trans-79.5105.7166.1-167.311.7000108.1S262 S266S262-D264 PolarHBondContact O-N 3.29Å; D264-S266 PolarHBondContact O-N 3.09Å
265F50.1Low54.6Low164 Ų164140.8 Ų140.872%0.71977%0.774SS**  trans-84.470.9165.5-74.2-79.5000108.2L263 I267L263-F265 HydrophobicContact CB-CD2 4.4Å; L263-F265 HydrophobicContact CB-CE2 4.11Å; L263-F265 HydrophobicContact CD2-CE1 4.44Å; L263-F265 HydrophobicContact CD2-CE2 3.86Å; L263-F265 HydrophobicContact CD2-CZ 3.7Å; L263-F265 PolarHBondContact O-N 3.43Å; F265-I267 PolarHBondContact O-N 3.21Å
266S44.2Very low52.5Low93 Ų93140.7 Ų140.765%0.6578%0.776SS**  trans-69.489.815959.70000107.3D264 S268D264-S266 PolarHBondContact O-N 3.09Å; S266-S268 VanDerWaalsContact C-N 3.32Å; S266-S268 PolarHBondContact O-N 3.28Å
267I44Very low50.4Low147 Ų147138.8 Ų138.875%0.75478%0.78SS**  trans-61.498.5167.9-61.4174.3000106.3F265 E269F265-I267 PolarHBondContact O-N 3.21Å; I267-E269 PolarHBondContact O-N 3.15Å
268S40.3Very low48.7Very low116 Ų116139.5 Ų139.581%0.81179%0.794SS**  trans-72.1106.9162.9-160.70000106.7S266 N270S266-S268 VanDerWaalsContact C-N 3.32Å; S266-S268 PolarHBondContact O-N 3.28Å; S268-N270 PolarHBondContact O-N 3.23Å
269E43.1Very low46.5Very low171 Ų171141.9 Ų141.980%0.79980%0.797SS**  trans-58.1102.1171.2-80-178.1128.800109.8I267I267-E269 PolarHBondContact O-N 3.15Å
270N41.2Very low44.8Very low139 Ų139141.7 Ų141.774%0.74380%0.798SS**  trans163.9105134.5-86.5-22.8000108.2S268S268-N270 PolarHBondContact O-N 3.23Å
271H40.9Very low43.6Very low195 Ų195136.4 Ų136.490%0.90380%0.796SS**  -176.2149114.4-95.475.5000110
272N39.1Very low41.7Very low172 Ų172133.3 Ų133.392%0.9279%0.792SS**  trans-91140.8-155.1-17035000112.4
273G34.6Very low40.4Very low74 Ų74133.2 Ų133.276%0.76380%0.798SS**  trans141.4102.1151.700000119.2
274G31.7Very low39.1Very low75 Ų75138.5 Ų138.577%0.77381%0.808SS**  trans97.986.8137.500000118.1
275I38.2Very low38.3Very low144 Ų144137.8 Ų137.874%0.73881%0.814SS**  76.7108.682-77.4173.5000116.6
276H35.6Very low38.2Very low175 Ų175135.8 Ų135.881%0.8182%0.817SS**  trans69.2138.3144.9-49.2-39.5000120.2
277G31.7Very low37.6Very low78 Ų78135.8 Ų135.880%0.80482%0.823SS**  cis-163.5158.120.700000115.2
278A39.5Very low37Very low102 Ų102140.4 Ų140.484%0.84383%0.831SS**  trans-83.3144.4175.100000111.4
279R31.8Very low37.1Very low245 Ų245140.4 Ų140.493%0.92583%0.831SS**  trans-162.4115.5149.5-114.5172.1150-154-8.6111.1
280S38.3Very low36.9Very low117 Ų117137.9 Ų137.982%0.81883%0.829SS**  trans-117.6145.7151.5-75.60000106.2
281P43.1Very low36.6Very low133 Ų133135.4 Ų135.486%0.86483%0.828SS**  -153.8163.998.236.7-17.9000115.4
282G31.6Very low36.5Very low79 Ų79137.8 Ų137.881%0.81483%0.829SS**  trans130.297.2146.200000116.4
283A37.9Very low36.3Very low102 Ų102134.9 Ų134.984%0.84382%0.823SS**  trans-69.5132.7171.400000113
284R31.3Very low36.4Very low252 Ų252137.2 Ų137.295%0.95182%0.824SS**  trans-152.1114.4149.3-83.7-168.5165.4-165.8-5.9109.6
285S35.8Very low36.6Very low120 Ų120138.2 Ų138.284%0.83983%0.825SS**  trans-103.7159.5154.7-76.20000107.2
286P47.9Very low36.7Very low122 Ų122139.7 Ų139.779%0.79282%0.821SS**  cis-138.4154.125.838.1-19.6000115.4
287A31.7Very low36.8Very low94 Ų94136.3 Ų136.378%0.77782%0.817SS**  trans165.3141.5137.700000111.3
288R31.7Very low37.3Very low243 Ų243138.3 Ų138.392%0.91782%0.816SS**  trans71.4108.7161.1-80.6176.2157-137.4-3.4118.3
289S43.1Very low37.4Very low116 Ų116137.3 Ų137.381%0.81181%0.808SS**  trans-48.4148.1149.7-390000112.4
290P39.1Very low38Very low118 Ų118131.3 Ų131.377%0.76680%0.801SS**  trans-121.5107.7137.530.7-17.4000107.6
291A33.5Very low38.8Very low87 Ų87132.5 Ų132.572%0.71980%0.797SS**  50.492.480.300000112.1
292R38.4Very low39.8Very low245 Ų245133.9 Ų133.993%0.92580%0.797SS**  34.5109.1124.2-143169.9-175.9-119.23.2114.8
293S35.6Very low42.3Very low112 Ų112135.7 Ų135.778%0.78379%0.785SS**SBendtrans-46.4150.4166.3-48.70000112.1
294P37Very low44.8Very low122 Ų122131.8 Ų131.879%0.79275%0.751SS**  trans-74.7138-139.728-33.2000112.5R296P294-R296 PolarHBondContact O-N 2.84Å
295A35.6Very low47.8Very low96 Ų96120.7 Ų120.779%0.79371%0.711SS**  trans-45.4124.7160.700000110S297A295-S297 PolarHBondContact O-N 3.3Å
296R39.9Very low50.6Low175 Ų175115 Ų11566%0.6667%0.671SS**  trans-45.9111158.9-138.4173.1-172.3-1199.4106.7P294P294-R296 PolarHBondContact O-N 2.84Å
297S37.9Very low52.9Low104 Ų104114.2 Ų114.273%0.72765%0.653SS**  trans-56.1130.4173.132.60000109A295 A299A295-S297 PolarHBondContact O-N 3.3Å; S297-A299 PolarHBondContact O-N 2.94Å; S297-A299 VanDerWaalsContact O-N 3.16Å
298P42.5Very low56Low120 Ų120109.9 Ų109.978%0.77962%0.617SS**  trans-68.2113.9170.927-28.8000107.5
299A41.5Very low58.8Low82 Ų82101.5 Ų101.568%0.67859%0.59SS**  trans-62.6148163.700000108.6S297 L301S297-A299 PolarHBondContact O-N 2.94Å; S297-A299 VanDerWaalsContact O-N 3.16Å; A299-L301 PolarHBondContact O-N 2.88Å
300P45.3Very low61.1Low118 Ų118102.3 Ų102.377%0.76658%0.576SS**  trans-59.4131.5-169.720.4-30.4000112.9D302P300-D302 PolarHBondContact O-N 3.39Å
301L53.8Low63.6Low142 Ų142100.3 Ų100.374%0.74356%0.559SS**THydrogen-bonded Turntrans-72.233.8-170.9-81.8156.4000115.8A299A299-L301 PolarHBondContact O-N 2.88Å
302D65Low66.5Low162 Ų16297.2 Ų97.287%0.86653%0.529SS*.THydrogen-bonded Turntrans-1130.8178-85.1-15.5000113.9P300P300-D302 PolarHBondContact O-N 3.39Å
303Q82.6Confident69.1Low117 Ų11790.8 Ų90.855%0.54751%0.513SS..SBendtrans-99.6135.6178-164.6171.430.300111.4C305 T329Q303-C305 PolarHBondContact O-N 2.78Å; Q303-C305 PolarHBondContact O-SG 2.81Å; Q303-T329 VanDerWaalsContact CD-CG2 3.42Å; Q303-T329 HydrophobicContact CG-CG2 3.9Å
304P92.3Very high71.7Confident21 Ų2188.7 Ų88.714%0.13650%0.497CS..  trans-52.4127172.6-28.536.7000111.8L330 V359 L361P304-L330 HydrophobicContact CB-CB 3.95Å; P304-L330 PolarHBondContact O-N 2.81Å; P304-V359 CarbonylContact C-O 3.5Å; P304-V359 VanDerWaalsContact CA-O 3.25Å; P304-V359 WeakPolarHBondContact CA-O 3.25Å; P304-L361 HydrophobicContact CB-CD2 3.74Å; P304-L361 HydrophobicContact CB-CG 4.19Å; P304-L361 HydrophobicContact CG-CD2 4.09Å
305C94.2Very high73.9Confident18 Ų1891.3 Ų91.312%0.12250%0.499CS..EExtended strand (participates in β ladder)trans-156.5157.5-176.659.90000112.1Q303 I327 I328 L358 V359Q303-C305 PolarHBondContact O-N 2.78Å; Q303-C305 PolarHBondContact O-SG 2.81Å; C305-I327 HydrophobicContact CB-CG2 4.32Å; C305-I328 CarbonylContact C-O 3.54Å; C305-I328 WeakPolarHBondContact CA-O 3.25Å; C305-I328 WeakPolarHBondContact CB-O 3.3Å; C305-L358 PolarHBondContact O-N 2.92Å; C305-V359 PolarHBondContact N-O 3.01Å; C305-V359 PolarHBondContact O-N 3.24Å
306C94.8Very high76.2Confident0 Ų091.7 Ų91.70%049%0.487CS..EExtended strand (participates in β ladder)trans-134.8163.9174.263.70000110.7I327 I328 L330 V355 D356C306-I327 WeakPolarHBondContact O-CA 3.41Å; C306-I328 PolarHBondContact N-O 2.84Å; C306-I328 PolarHBondContact O-N 2.86Å; C306-L330 HydrophobicContact CB-CD1 4.15Å; C306-L330 HydrophobicContact CB-CD2 4.43Å; C306-L330 HydrophobicContact CB-CG 4.28Å; C306-V355 HydrophobicContact CB-CB 3.93Å; C306-V355 HydrophobicContact CB-CG2 4.03Å; C306-D356 CarbonylContact C-O 3.5Å; C306-D356 VanDerWaalsContact CA-O 3.23Å; C306-D356 WeakPolarHBondContact CA-O 3.3Å; C306-D356 WeakPolarHBondContact CB-O 3.29Å
307R95.9Very high78.2Confident107 Ų10793 Ų9340%0.40450%0.501SS..EExtended strand (participates in β ladder)trans-111.5131.7174.9176.3174.855.4179.5-4.9109.8L309 D326 I327 V355 D356 L358R307-L309 PolarHBondContact O-N 2.85Å; R307-D326 CarbonylContact C-O 3.5Å; R307-D326 VanDerWaalsContact CA-O 3.3Å; R307-D326 WeakPolarHBondContact CA-O 3.16Å; R307-I327 HydrophobicContact CB-CD1 3.76Å; R307-I327 HydrophobicContact CG-CD1 3.92Å; R307-V355 CarbonylContact O-C 3.22Å; R307-V355 VanDerWaalsContact O-CA 3.26Å; R307-V355 WeakPolarHBondContact O-CA 3.34Å; R307-D356 IonicContact CZ-OD2 3.86Å; R307-D356 PolarHBondContact N-O 3.39Å; R307-D356 IonicContact NE-OD2 2.99Å; R307-D356 IonicContact NH2-OD2 3.78Å; R307-D356 PolarHBondContact NH2-OD2 3.18Å; R307-D356 PolarHBondContact O-N 2.93Å; R307-L358 HydrophobicContact CB-CD1 4.11Å; R307-L358 HydrophobicContact CB-CD2 4.43Å; R307-L358 HydrophobicContact CB-CG 4.26Å
308A95.4Very high80.4Confident2 Ų290 Ų902%0.01749%0.487CS..EExtended strand (participates in β ladder)trans-64126.6173.400000111.3F322 K323 G325 D326A308-F322 HydrophobicContact CB-CD2 3.36Å; A308-F322 HydrophobicContact CB-CE2 3.65Å; A308-F322 HydrophobicContact CB-CG 4.32Å; A308-K323 VanDerWaalsContact CB-O 3.25Å; A308-K323 WeakPolarHBondContact CB-O 3.46Å; A308-G325 PolarHBondContact O-N 2.85Å; A308-D326 HydrophobicContact CB-CB 4.37Å; A308-D326 PolarHBondContact N-O 2.94Å
309L92.1Very high82.8Confident67 Ų6785.6 Ų85.635%0.35146%0.456SS..SBendtrans-89.8-24.3174.3-69.7175.9000112.3R307 E324 Y354 D356R307-L309 PolarHBondContact O-N 2.85Å; L309-E324 WeakPolarHBondContact O-CG 3.18Å; L309-Y354 PolarHBondContact N-O 3.21Å; L309-D356 HydrophobicContact CD1-CB 4.14Å; L309-D356 HydrophobicContact CD2-CB 3.85Å; L309-D356 HydrophobicContact CG-CB 3.94Å
310Y90.8Very high85.3Confident134 Ų13482 Ų8253%0.52543%0.425SS..SBendtrans-142162.2-179.8-50.7-69.5000109.8F322 Y354Y310-F322 WeakPolarHBondContact O-CE2 3.42Å; Y310-Y354 HydrophobicContact CD2-CD1 4.33Å; Y310-Y354 HydrophobicContact CD2-CG 4.39Å
311D92.3Very high87.5Confident75 Ų7577.9 Ų77.940%0.40140%0.404SS..  trans-64.2140.8165.5-76.411.4000110.5K323 E324D311-K323 HydrophobicContact CB-CD 4.21Å; D311-K323 WeakPolarHBondContact OD1-CA 3.37Å; D311-K323 WeakPolarHBondContact OD1-CD 3.24Å; D311-K323 WeakPolarHBondContact OD2-CD 3.33Å; D311-K323 IonicContact OD2-NZ 3.21Å; D311-K323 PolarHBondContact OD2-NZ 3.01Å; D311-E324 PolarHBondContact OD1-N 3.28Å
312F93.6Very high89.4Confident22 Ų2271.4 Ų71.410%0.09637%0.37CS..BIsolated β-bridgetrans-132.3113.1173.3-176.5-104.7000109.1E319 L320 G321 F322 W338 F350 P351 Y354F312-E319 HydrophobicContact CE1-CB 4.19Å; F312-L320 VanDerWaalsContact CD1-O 3.24Å; F312-L320 WeakPolarHBondContact CD1-O 3.26Å; F312-G321 VanDerWaalsContact O-CA 3.23Å; F312-G321 WeakPolarHBondContact O-CA 3.4Å; F312-F322 HydrophobicContact CB-CD1 4.19Å; F312-F322 HydrophobicContact CB-CD2 3.93Å; F312-F322 HydrophobicContact CB-CE1 3.78Å; F312-F322 HydrophobicContact CB-CE2 3.5Å; F312-F322 HydrophobicContact CB-CG 4.27Å; F312-F322 HydrophobicContact CB-CZ 3.42Å; F312-F322 VanDerWaalsContact CB-CZ 3.42Å; F312-F322 HydrophobicContact CD1-CD1 4.37Å; F312-F322 AromaticContact CD1-CE1 3.86Å; F312-F322 HydrophobicContact CD1-CE1 3.86Å; F312-F322 HydrophobicContact CD1-CZ 4.22Å; F312-F322 HydrophobicContact CG-CE1 4.07Å; F312-F322 AromaticContact CG-CZ 3.96Å; F312-F322 HydrophobicContact CG-CZ 3.96Å; F312-F322 PolarHBondContact N-O 2.95Å; F312-F322 PolarHBondContact O-N 2.97Å; F312-W338 HydrophobicContact CZ-CH2 4.49Å; F312-W338 HydrophobicContact CZ-CZ3 4.37Å; F312-F350 HydrophobicContact CD1-CB 4.29Å; F312-F350 HydrophobicContact CE1-CB 4.18Å; F312-P351 HydrophobicContact CD2-CG 4.28Å; F312-P351 VanDerWaalsContact CE2-CD 3.45Å; F312-P351 HydrophobicContact CE2-CG 3.67Å; F312-P351 HydrophobicContact CZ-CG 4.14Å; F312-Y354 HydrophobicContact CB-CD1 4.14Å; F312-Y354 HydrophobicContact CD2-CD1 4.02Å; F312-Y354 HydrophobicContact CD2-CE1 4.1Å
313D93.3Very high90.8Very high111 Ų11168.3 Ų68.359%0.59435%0.349SS*.  trans-99.8121176.1-62.6-50.3000108.2K323D313-K323 IonicContact OD1-NZ 3.27Å; D313-K323 PolarHBondContact OD1-NZ 3.47Å
314P89.3Confident91.3Very high67 Ų6769.3 Ų69.344%0.43535%0.354SS..  trans-72.7133.2-172.827.4-32.1000111.3E319P314-E319 WeakPolarHBondContact CA-OE2 3.36Å; P314-E319 HydrophobicContact CB-CB 3.5Å
315E83.7Confident91.2Very high178 Ų17870.4 Ų70.483%0.83237%0.369SS*.  trans-102.6-23.1179.4-66.3-171.6165.900112.5E319E315-E319 PolarHBondContact N-OE2 3.28Å
316N84.9Confident91.2Very high104 Ų10471.1 Ų71.156%0.55637%0.371SS*.SBendtrans-119.6154.1-178.7-57.4-72.6000112.7G318 E319N316-G318 PolarHBondContact O-N 3.17Å; N316-E319 HydrophobicContact CB-CG 4.29Å; N316-E319 PolarHBondContact N-OE2 2.9Å; N316-E319 PolarHBondContact ND2-OE1 3.28Å; N316-E319 PolarHBondContact O-N 2.78Å
317E80.6Confident91.2Very high201 Ų20174.1 Ų74.194%0.93939%0.387SS*.THydrogen-bonded Turntrans-63.5123.2171.8-74.2-170154.600110.6
318G85Confident91.2Very high42 Ų4269 Ų6943%0.43337%0.367SS..THydrogen-bonded Turntrans106-7.3-178.200000114.7N316 G348 F349N316-G318 PolarHBondContact O-N 3.17Å; G318-G348 CarbonylContact O-C 3.48Å; G318-G348 WeakPolarHBondContact O-CA 3.4Å; G318-F349 WeakPolarHBondContact O-CD1 3.18Å; G318-F349 WeakPolarHBondContact O-CE1 3Å; G318-F349 PolarHBondContact O-N 2.99Å
319E92.6Very high91.2Very high27 Ų2770.8 Ų70.813%0.12638%0.378CS..BIsolated β-bridgetrans-80.4142.8173.9-71.7175.1-176.800112.1F312 P314 E315 N316 W338 F349F312-E319 HydrophobicContact CE1-CB 4.19Å; P314-E319 WeakPolarHBondContact CA-OE2 3.36Å; P314-E319 HydrophobicContact CB-CB 3.5Å; E315-E319 PolarHBondContact N-OE2 3.28Å; N316-E319 HydrophobicContact CB-CG 4.29Å; N316-E319 PolarHBondContact N-OE2 2.9Å; N316-E319 PolarHBondContact ND2-OE1 3.28Å; N316-E319 PolarHBondContact O-N 2.78Å; E319-W338 HydrophobicContact CG-CZ3 4.46Å; E319-F349 WeakPolarHBondContact CA-O 3.23Å; E319-F349 HydrophobicContact CB-CE2 4.34Å; E319-F349 HydrophobicContact CG-CD2 3.63Å; E319-F349 HydrophobicContact CG-CE2 3.17Å; E319-F349 HydrophobicContact CG-CZ 3.78Å
320L93.1Very high91.2Very high6 Ų667.9 Ų67.93%0.03136%0.363CS..  trans-98110179.5-176.968.7000111F312 F322 I328 L343 N346 F349 F350F312-L320 VanDerWaalsContact CD1-O 3.24Å; F312-L320 WeakPolarHBondContact CD1-O 3.26Å; L320-F322 WeakPolarHBondContact O-CD1 3.34Å; L320-F322 WeakPolarHBondContact O-CE1 3.45Å; L320-I328 HydrophobicContact CD2-CG2 3.86Å; L320-L343 HydrophobicContact CD1-CB 4.35Å; L320-L343 HydrophobicContact CD2-CB 4Å; L320-L343 HydrophobicContact CG-CB 4.48Å; L320-N346 HydrophobicContact CD1-CB 3.89Å; L320-N346 VanDerWaalsContact CD1-O 3.3Å; L320-N346 WeakPolarHBondContact CD1-O 3.23Å; L320-F349 PolarHBondContact N-O 3.34Å; L320-F350 HydrophobicContact CB-CD1 4.17Å; L320-F350 HydrophobicContact CD2-CD1 4.07Å; L320-F350 HydrophobicContact CD2-CE1 4.08Å
321G91.8Very high91.3Very high32 Ų3264.7 Ų64.733%0.3336%0.357SS..  trans-75.1141.2173.100000114.1F312F312-G321 VanDerWaalsContact O-CA 3.23Å; F312-G321 WeakPolarHBondContact O-CA 3.4Å
322F95.4Very high91.2Very high7 Ų765 Ų653%0.03136%0.359CS..BIsolated β-bridgetrans-154.8166.2178.652.3-99.8000112.7A308 Y310 F312 L320 D326 I328 L343 F350 V355A308-F322 HydrophobicContact CB-CD2 3.36Å; A308-F322 HydrophobicContact CB-CE2 3.65Å; A308-F322 HydrophobicContact CB-CG 4.32Å; Y310-F322 WeakPolarHBondContact O-CE2 3.42Å; F312-F322 HydrophobicContact CB-CD1 4.19Å; F312-F322 HydrophobicContact CB-CD2 3.93Å; F312-F322 HydrophobicContact CB-CE1 3.78Å; F312-F322 HydrophobicContact CB-CE2 3.5Å; F312-F322 HydrophobicContact CB-CG 4.27Å; F312-F322 HydrophobicContact CB-CZ 3.42Å; F312-F322 VanDerWaalsContact CB-CZ 3.42Å; F312-F322 HydrophobicContact CD1-CD1 4.37Å; F312-F322 AromaticContact CD1-CE1 3.86Å; F312-F322 HydrophobicContact CD1-CE1 3.86Å; F312-F322 HydrophobicContact CD1-CZ 4.22Å; F312-F322 HydrophobicContact CG-CE1 4.07Å; F312-F322 AromaticContact CG-CZ 3.96Å; F312-F322 HydrophobicContact CG-CZ 3.96Å; F312-F322 PolarHBondContact N-O 2.95Å; F312-F322 PolarHBondContact O-N 2.97Å; L320-F322 WeakPolarHBondContact O-CD1 3.34Å; L320-F322 WeakPolarHBondContact O-CE1 3.45Å; F322-D326 HydrophobicContact CB-CB 4.36Å; F322-I328 HydrophobicContact CB-CD1 4.08Å; F322-I328 HydrophobicContact CD1-CD1 3.38Å; F322-I328 HydrophobicContact CD2-CD1 4.1Å; F322-I328 HydrophobicContact CE1-CD1 3.7Å; F322-I328 HydrophobicContact CE2-CD1 4.35Å; F322-I328 HydrophobicContact CG-CD1 3.59Å; F322-I328 HydrophobicContact CZ-CD1 4.17Å; F322-L343 HydrophobicContact CB-CD2 3.55Å; F322-F350 HydrophobicContact CE1-CB 3.49Å; F322-F350 VanDerWaalsContact CE1-CB 3.49Å; F322-F350 HydrophobicContact CE1-CD1 4.18Å; F322-F350 AromaticContact CE1-CD2 3.98Å; F322-F350 HydrophobicContact CE1-CD2 3.98Å; F322-F350 AromaticContact CE1-CG 3.63Å; F322-F350 HydrophobicContact CE1-CG 3.63Å; F322-F350 HydrophobicContact CZ-CB 4.09Å; F322-F350 HydrophobicContact CZ-CD2 4.21Å; F322-F350 HydrophobicContact CZ-CG 4.26Å; F322-V355 HydrophobicContact CE2-CG1 4.34Å; F322-V355 HydrophobicContact CZ-CG1 4.03Å
323K94.1Very high91.1Very high96 Ų9668.7 Ų68.742%0.41738%0.375SS..  trans-111153.8177.5-64.3-61.9178.4-161.20112.1A308 D311 D313 G325 D326A308-K323 VanDerWaalsContact CB-O 3.25Å; A308-K323 WeakPolarHBondContact CB-O 3.46Å; D311-K323 HydrophobicContact CB-CD 4.21Å; D311-K323 WeakPolarHBondContact OD1-CA 3.37Å; D311-K323 WeakPolarHBondContact OD1-CD 3.24Å; D311-K323 WeakPolarHBondContact OD2-CD 3.33Å; D311-K323 IonicContact OD2-NZ 3.21Å; D311-K323 PolarHBondContact OD2-NZ 3.01Å; D313-K323 IonicContact OD1-NZ 3.27Å; D313-K323 PolarHBondContact OD1-NZ 3.47Å; K323-G325 PolarHBondContact O-N 2.86Å; K323-D326 PolarHBondContact N-OD2 3.48Å; K323-D326 VanDerWaalsContact O-CB 3.29Å; K323-D326 WeakPolarHBondContact O-CB 3.46Å; K323-D326 PolarHBondContact O-N 2.88Å
324E93.2Very high90.9Very high139 Ų13967.7 Ų67.765%0.6537%0.369SS*.THydrogen-bonded Turntrans-49.6128.9176.3-178.7-176.9160.700110.6L309 D311L309-E324 WeakPolarHBondContact O-CG 3.18Å; D311-E324 PolarHBondContact OD1-N 3.28Å
325G90.4Very high91Very high44 Ų4467.9 Ų67.945%0.45437%0.366SS..THydrogen-bonded Turntrans88.6-5.5-178.700000115.6A308 K323A308-G325 PolarHBondContact O-N 2.85Å; K323-G325 PolarHBondContact O-N 2.86Å
326D93.6Very high91.2Very high33 Ų3367.3 Ų67.318%0.17636%0.363CS..  trans-63.2145.6171.8-82.7-33.2000111.7R307 A308 F322 K323 L343R307-D326 CarbonylContact C-O 3.5Å; R307-D326 VanDerWaalsContact CA-O 3.3Å; R307-D326 WeakPolarHBondContact CA-O 3.16Å; A308-D326 HydrophobicContact CB-CB 4.37Å; A308-D326 PolarHBondContact N-O 2.94Å; F322-D326 HydrophobicContact CB-CB 4.36Å; K323-D326 PolarHBondContact N-OD2 3.48Å; K323-D326 VanDerWaalsContact O-CB 3.29Å; K323-D326 WeakPolarHBondContact O-CB 3.46Å; K323-D326 PolarHBondContact O-N 2.88Å; D326-L343 HydrophobicContact CB-CD1 4.3Å; D326-L343 HydrophobicContact CB-CD2 4.04Å
327I94.5Very high91.5Very high63 Ų6367 Ų6732%0.32336%0.362SS..EExtended strand (participates in β ladder)trans-103.8114.9174.6-55.2-59.2000108.1C305 C306 R307 L343 L358C305-I327 HydrophobicContact CB-CG2 4.32Å; C306-I327 WeakPolarHBondContact O-CA 3.41Å; R307-I327 HydrophobicContact CB-CD1 3.76Å; R307-I327 HydrophobicContact CG-CD1 3.92Å; I327-L343 VanDerWaalsContact O-CD1 3.29Å; I327-L343 WeakPolarHBondContact O-CD1 3.04Å; I327-L358 HydrophobicContact CD1-CD1 3.88Å
328I95.1Very high92.1Very high0 Ų061 Ų610%033%0.331CS..EExtended strand (participates in β ladder)trans-105.7131.2-176.1-53.7166.4000108.1C305 C306 L320 F322 L330 L343 F350 V355C305-I328 CarbonylContact C-O 3.54Å; C305-I328 WeakPolarHBondContact CA-O 3.25Å; C305-I328 WeakPolarHBondContact CB-O 3.3Å; C306-I328 PolarHBondContact N-O 2.84Å; C306-I328 PolarHBondContact O-N 2.86Å; L320-I328 HydrophobicContact CD2-CG2 3.86Å; F322-I328 HydrophobicContact CB-CD1 4.08Å; F322-I328 HydrophobicContact CD1-CD1 3.38Å; F322-I328 HydrophobicContact CD2-CD1 4.1Å; F322-I328 HydrophobicContact CE1-CD1 3.7Å; F322-I328 HydrophobicContact CE2-CD1 4.35Å; F322-I328 HydrophobicContact CG-CD1 3.59Å; F322-I328 HydrophobicContact CZ-CD1 4.17Å; I328-L330 PolarHBondContact O-N 3Å; I328-L343 HydrophobicContact CG1-CB 4.44Å; I328-L343 HydrophobicContact CG1-CD1 4.4Å; I328-L343 HydrophobicContact CG1-CD2 4.35Å; I328-F350 HydrophobicContact CB-CZ 4.42Å; I328-F350 HydrophobicContact CD1-CE1 4.39Å; I328-F350 HydrophobicContact CD1-CE2 4.44Å; I328-F350 HydrophobicContact CD1-CZ 4.22Å; I328-F350 HydrophobicContact CG2-CE1 3.71Å; I328-F350 HydrophobicContact CG2-CZ 3.8Å; I328-V355 HydrophobicContact CD1-CG1 4.3Å
329T95.1Very high92.6Very high39 Ų3960 Ų6024%0.23931%0.314CS..EExtended strand (participates in β ladder)trans-76.8122.1173.1-61.50000108.7Q303 G341 M342Q303-T329 VanDerWaalsContact CD-CG2 3.42Å; Q303-T329 HydrophobicContact CG-CG2 3.9Å; T329-G341 CarbonylContact O-C 3.41Å; T329-G341 WeakPolarHBondContact O-CA 3.25Å; T329-M342 PolarHBondContact N-O 3.27Å; T329-M342 PolarHBondContact O-N 3.41Å
330L94.1Very high92.7Very high5 Ų561.9 Ų61.93%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-79130176.5-70.1171.6000109.5P304 C306 I328 Y339 F350 I357 L361P304-L330 HydrophobicContact CB-CB 3.95Å; P304-L330 PolarHBondContact O-N 2.81Å; C306-L330 HydrophobicContact CB-CD1 4.15Å; C306-L330 HydrophobicContact CB-CD2 4.43Å; C306-L330 HydrophobicContact CB-CG 4.28Å; I328-L330 PolarHBondContact O-N 3Å; L330-Y339 HydrophobicContact CD2-CD1 4.03Å; L330-Y339 HydrophobicContact CD2-CD2 3.96Å; L330-Y339 HydrophobicContact CD2-CG 3.68Å; L330-F350 HydrophobicContact CD2-CE2 4.4Å; L330-F350 HydrophobicContact CD2-CZ 3.85Å; L330-I357 HydrophobicContact CD1-CG2 4.33Å; L330-L361 HydrophobicContact CB-CD2 3.99Å; L330-L361 HydrophobicContact CB-CG 4.09Å
331T91.3Very high92.8Very high68 Ų6861.6 Ų61.642%0.41732%0.321SS..EExtended strand (participates in β ladder)trans-110.7-37.5178.652.60000112E340T331-E340 PolarHBondContact N-O 3.11Å; T331-E340 VanDerWaalsContact OG1-C 3.31Å; T331-E340 PolarHBondContact OG1-O 3.15Å; T331-E340 VanDerWaalsContact OG1-O 3.09Å
332N90.4Very high92.9Very high80 Ų8064 Ų6443%0.42833%0.325SS..EExtended strand (participates in β ladder)trans-156.9158.2-179.2-164.616.6000112.5E340N332-E340 HydrophobicContact CB-CB 4.16Å; N332-E340 PolarHBondContact N-O 3.21Å; N332-E340 PolarHBondContact O-N 3.03Å
333K91.6Very high92.6Very high101 Ų10164.3 Ų64.344%0.43933%0.327SS..EExtended strand (participates in β ladder)trans-103.3118.2167.1-171.8174.4176.4177.70108.3D335 Y339 L361K333-D335 WeakPolarHBondContact CE-O 3.44Å; K333-D335 WeakPolarHBondContact CG-O 3.34Å; K333-Y339 HydrophobicContact CB-CD1 3.95Å; K333-Y339 HydrophobicContact CB-CE1 3.71Å; K333-Y339 HydrophobicContact CD-CE1 3.94Å; K333-Y339 HydrophobicContact CG-CD1 4.01Å; K333-Y339 HydrophobicContact CG-CE1 3.67Å; K333-L361 HydrophobicContact CB-CD1 4.1Å
334I90Very high92.3Very high89 Ų8967.5 Ų67.546%0.45634%0.343SS..  trans-78.1-50.4-178.6-55.9-55.4000109.8W338 E340I334-W338 HydrophobicContact CB-CB 4.14Å; I334-W338 PolarHBondContact N-O 3.09Å; I334-E340 HydrophobicContact CD1-CB 4.03Å; I334-E340 HydrophobicContact CG1-CB 4.24Å
335D89.9Confident91.8Very high72 Ų7263.7 Ų63.739%0.38534%0.342SS..SBendtrans-157.7-163.4178.662.327.5000111.3K333 N337 W338K333-D335 WeakPolarHBondContact CE-O 3.44Å; K333-D335 WeakPolarHBondContact CG-O 3.34Å; D335-N337 PolarHBondContact O-N 2.83Å; D335-N337 WeakPolarHBondContact OD1-CA 3.22Å; D335-N337 PolarHBondContact OD1-N 3.05Å; D335-W338 PolarHBondContact N-O 2.93Å; D335-W338 PolarHBondContact OD1-N 3.25Å
336E88.1Confident91.6Very high165 Ų16566.9 Ų66.977%0.77135%0.348SS*.SBendtrans-69.3-11.3179.7-63-173.4168.200114.4
337N91.4Very high91.6Very high99 Ų9969 Ų6953%0.52937%0.365SS..SBendtrans-120.1-18.5-173.4-61.3110.2000113.6D335 P351 I352D335-N337 PolarHBondContact O-N 2.83Å; D335-N337 WeakPolarHBondContact OD1-CA 3.22Å; D335-N337 PolarHBondContact OD1-N 3.05Å; N337-P351 WeakPolarHBondContact O-CA 3.29Å; N337-I352 PolarHBondContact O-N 3.16Å
338W94.1Very high91.5Very high74 Ų7466.1 Ų66.128%0.2835%0.352SS..EExtended strand (participates in β ladder)trans-129.1134.1-173.6-6790.4000114.7F312 E319 I334 D335 F349 F350 P351F312-W338 HydrophobicContact CZ-CH2 4.49Å; F312-W338 HydrophobicContact CZ-CZ3 4.37Å; E319-W338 HydrophobicContact CG-CZ3 4.46Å; I334-W338 HydrophobicContact CB-CB 4.14Å; I334-W338 PolarHBondContact N-O 3.09Å; D335-W338 PolarHBondContact N-O 2.93Å; D335-W338 PolarHBondContact OD1-N 3.25Å; W338-F349 HydrophobicContact CD2-CD2 4.39Å; W338-F349 HydrophobicContact CE3-CB 4.1Å; W338-F349 AromaticContact CE3-CD2 3.61Å; W338-F349 HydrophobicContact CE3-CD2 3.61Å; W338-F349 HydrophobicContact CE3-CG 4.34Å; W338-F349 HydrophobicContact CH2-CD2 4.26Å; W338-F349 AromaticContact CZ3-CD2 3.54Å; W338-F349 HydrophobicContact CZ3-CD2 3.54Å; W338-F349 HydrophobicContact CZ3-CE2 4.23Å; W338-F350 VanDerWaalsContact CE3-CA 3.48Å; W338-P351 HydrophobicContact CE3-CG 4.39Å; W338-P351 HydrophobicContact CH2-CG 3.97Å; W338-P351 HydrophobicContact CZ2-CG 4.44Å; W338-P351 HydrophobicContact CZ3-CG 3.93Å
339Y94.8Very high91.5Very high21 Ų2169.6 Ų69.68%0.08237%0.367CS..EExtended strand (participates in β ladder)trans-103.1152.8164.3-82.7-52000110.9L330 K333 F349 F350 I352 V355 I357 L361L330-Y339 HydrophobicContact CD2-CD1 4.03Å; L330-Y339 HydrophobicContact CD2-CD2 3.96Å; L330-Y339 HydrophobicContact CD2-CG 3.68Å; K333-Y339 HydrophobicContact CB-CD1 3.95Å; K333-Y339 HydrophobicContact CB-CE1 3.71Å; K333-Y339 HydrophobicContact CD-CE1 3.94Å; K333-Y339 HydrophobicContact CG-CD1 4.01Å; K333-Y339 HydrophobicContact CG-CE1 3.67Å; Y339-F349 CarbonylContact O-C 3.58Å; Y339-F349 WeakPolarHBondContact O-CA 3.38Å; Y339-F350 PolarHBondContact N-O 2.99Å; Y339-F350 PolarHBondContact O-N 3.27Å; Y339-I352 HydrophobicContact CD2-CB 4.21Å; Y339-I352 HydrophobicContact CD2-CD1 4.1Å; Y339-I352 HydrophobicContact CD2-CG1 3.51Å; Y339-I352 HydrophobicContact CD2-CG2 4.25Å; Y339-I352 HydrophobicContact CE1-CD1 4.47Å; Y339-I352 HydrophobicContact CE2-CB 4.21Å; Y339-I352 HydrophobicContact CE2-CD1 3.86Å; Y339-I352 HydrophobicContact CE2-CG1 3.67Å; Y339-I352 HydrophobicContact CE2-CG2 3.79Å; Y339-I352 HydrophobicContact CG-CD1 4.44Å; Y339-I352 HydrophobicContact CG-CG1 4.03Å; Y339-V355 HydrophobicContact CD2-CG2 4.33Å; Y339-I357 HydrophobicContact CE2-CD1 3.75Å; Y339-I357 HydrophobicContact CE2-CG1 4.1Å; Y339-I357 VanDerWaalsContact OH-CD1 3.26Å; Y339-I357 WeakPolarHBondContact OH-CD1 3.4Å; Y339-L361 HydrophobicContact CD1-CD1 4.22Å; Y339-L361 HydrophobicContact CE1-CD1 4.03Å
340E94.7Very high91.6Very high66 Ų6667.7 Ų67.731%0.30836%0.355SS..EExtended strand (participates in β ladder)trans-107.1138163.4-169.9-175.2-164.700108.7T331 N332 I334T331-E340 PolarHBondContact N-O 3.11Å; T331-E340 VanDerWaalsContact OG1-C 3.31Å; T331-E340 PolarHBondContact OG1-O 3.15Å; T331-E340 VanDerWaalsContact OG1-O 3.09Å; N332-E340 HydrophobicContact CB-CB 4.16Å; N332-E340 PolarHBondContact N-O 3.21Å; N332-E340 PolarHBondContact O-N 3.03Å; I334-E340 HydrophobicContact CD1-CB 4.03Å; I334-E340 HydrophobicContact CG1-CB 4.24Å
341G94.7Very high91.6Very high0 Ų068.6 Ų68.60%036%0.361CS..EExtended strand (participates in β ladder)trans-156.3-177.6177.400000113.2T329 S347 G348T329-G341 CarbonylContact O-C 3.41Å; T329-G341 WeakPolarHBondContact O-CA 3.25Å; G341-S347 WeakPolarHBondContact O-CA 2.99Å; G341-G348 PolarHBondContact N-O 2.96Å; G341-G348 PolarHBondContact O-N 3.09Å; G341-G348 VanDerWaalsContact O-N 3.11Å
342M94Very high91.8Very high82 Ų8266.7 Ų66.740%0.40435%0.348SS..EExtended strand (participates in β ladder)trans-131.3131.7-177.2-170.4178.6-70.800110.8T329 N346T329-M342 PolarHBondContact N-O 3.27Å; T329-M342 PolarHBondContact O-N 3.41Å; M342-N346 CarbonylContact C-O 3.58Å; M342-N346 VanDerWaalsContact CA-O 3.25Å; M342-N346 WeakPolarHBondContact CA-O 3.26Å; M342-N346 WeakPolarHBondContact CG-O 3.11Å
343L90.8Very high92Very high15 Ų1569 Ų698%0.07936%0.361CS..EExtended strand (participates in β ladder)trans-135.3124.2175.8-177.466.1000109.1L320 F322 D326 I327 I328 G345 N346L320-L343 HydrophobicContact CD1-CB 4.35Å; L320-L343 HydrophobicContact CD2-CB 4Å; L320-L343 HydrophobicContact CG-CB 4.48Å; F322-L343 HydrophobicContact CB-CD2 3.55Å; D326-L343 HydrophobicContact CB-CD1 4.3Å; D326-L343 HydrophobicContact CB-CD2 4.04Å; I327-L343 VanDerWaalsContact O-CD1 3.29Å; I327-L343 WeakPolarHBondContact O-CD1 3.04Å; I328-L343 HydrophobicContact CG1-CB 4.44Å; I328-L343 HydrophobicContact CG1-CD1 4.4Å; I328-L343 HydrophobicContact CG1-CD2 4.35Å; L343-G345 PolarHBondContact O-N 2.97Å; L343-G345 VanDerWaalsContact O-N 3.09Å; L343-N346 PolarHBondContact N-O 3.05Å; L343-N346 PolarHBondContact O-N 2.92Å
344Q86.4Confident92.1Very high162 Ų16268.6 Ų68.676%0.75736%0.357SS*.THydrogen-bonded Turntrans53.430.6178.7-58179.218.700114.6N346Q344-N346 VanDerWaalsContact C-N 3.35Å
345G82.9Confident92.3Very high60 Ų6064.9 Ų64.962%0.61934%0.339SS*.THydrogen-bonded Turntrans87.4-3.7-179.700000115.1L343L343-G345 PolarHBondContact O-N 2.97Å; L343-G345 VanDerWaalsContact O-N 3.09Å
346N87.3Confident92.5Very high111 Ų11164.4 Ų64.459%0.59434%0.336SS*.EExtended strand (participates in β ladder)trans-94.5135.3171.7-63.1-33.2000109.8L320 M342 L343 Q344L320-N346 HydrophobicContact CD1-CB 3.89Å; L320-N346 VanDerWaalsContact CD1-O 3.3Å; L320-N346 WeakPolarHBondContact CD1-O 3.23Å; M342-N346 CarbonylContact C-O 3.58Å; M342-N346 VanDerWaalsContact CA-O 3.25Å; M342-N346 WeakPolarHBondContact CA-O 3.26Å; M342-N346 WeakPolarHBondContact CG-O 3.11Å; L343-N346 PolarHBondContact N-O 3.05Å; L343-N346 PolarHBondContact O-N 2.92Å; Q344-N346 VanDerWaalsContact C-N 3.35Å
347S92.1Very high92.7Very high76 Ų7659.7 Ų59.753%0.53132%0.315SS..EExtended strand (participates in β ladder)trans-112.3143.5176.755.90000111G341G341-S347 WeakPolarHBondContact O-CA 2.99Å
348G93.7Very high92.7Very high4 Ų458.8 Ų58.84%0.04131%0.31CS..EExtended strand (participates in β ladder)trans-179.7177.6174.300000112.3G318 G341G318-G348 CarbonylContact O-C 3.48Å; G318-G348 WeakPolarHBondContact O-CA 3.4Å; G341-G348 PolarHBondContact N-O 2.96Å; G341-G348 PolarHBondContact O-N 3.09Å; G341-G348 VanDerWaalsContact O-N 3.11Å
349F95.4Very high92.6Very high72 Ų7256.8 Ų56.832%0.31631%0.306SS..EExtended strand (participates in β ladder)trans-95.7149.7179.650.4-90.8000112.3G318 E319 L320 W338 Y339G318-F349 WeakPolarHBondContact O-CD1 3.18Å; G318-F349 WeakPolarHBondContact O-CE1 3Å; G318-F349 PolarHBondContact O-N 2.99Å; E319-F349 WeakPolarHBondContact CA-O 3.23Å; E319-F349 HydrophobicContact CB-CE2 4.34Å; E319-F349 HydrophobicContact CG-CD2 3.63Å; E319-F349 HydrophobicContact CG-CE2 3.17Å; E319-F349 HydrophobicContact CG-CZ 3.78Å; L320-F349 PolarHBondContact N-O 3.34Å; W338-F349 HydrophobicContact CD2-CD2 4.39Å; W338-F349 HydrophobicContact CE3-CB 4.1Å; W338-F349 AromaticContact CE3-CD2 3.61Å; W338-F349 HydrophobicContact CE3-CD2 3.61Å; W338-F349 HydrophobicContact CE3-CG 4.34Å; W338-F349 HydrophobicContact CH2-CD2 4.26Å; W338-F349 AromaticContact CZ3-CD2 3.54Å; W338-F349 HydrophobicContact CZ3-CD2 3.54Å; W338-F349 HydrophobicContact CZ3-CE2 4.23Å; Y339-F349 CarbonylContact O-C 3.58Å; Y339-F349 WeakPolarHBondContact O-CA 3.38Å
350F95.8Very high92.3Very high0 Ų060 Ų600%033%0.329CS..EExtended strand (participates in β ladder)trans-151.3156.4178.155.5-91.4000112.9F312 L320 F322 I328 L330 W338 Y339 V355F312-F350 HydrophobicContact CD1-CB 4.29Å; F312-F350 HydrophobicContact CE1-CB 4.18Å; L320-F350 HydrophobicContact CB-CD1 4.17Å; L320-F350 HydrophobicContact CD2-CD1 4.07Å; L320-F350 HydrophobicContact CD2-CE1 4.08Å; F322-F350 HydrophobicContact CE1-CB 3.49Å; F322-F350 VanDerWaalsContact CE1-CB 3.49Å; F322-F350 HydrophobicContact CE1-CD1 4.18Å; F322-F350 AromaticContact CE1-CD2 3.98Å; F322-F350 HydrophobicContact CE1-CD2 3.98Å; F322-F350 AromaticContact CE1-CG 3.63Å; F322-F350 HydrophobicContact CE1-CG 3.63Å; F322-F350 HydrophobicContact CZ-CB 4.09Å; F322-F350 HydrophobicContact CZ-CD2 4.21Å; F322-F350 HydrophobicContact CZ-CG 4.26Å; I328-F350 HydrophobicContact CB-CZ 4.42Å; I328-F350 HydrophobicContact CD1-CE1 4.39Å; I328-F350 HydrophobicContact CD1-CE2 4.44Å; I328-F350 HydrophobicContact CD1-CZ 4.22Å; I328-F350 HydrophobicContact CG2-CE1 3.71Å; I328-F350 HydrophobicContact CG2-CZ 3.8Å; L330-F350 HydrophobicContact CD2-CE2 4.4Å; L330-F350 HydrophobicContact CD2-CZ 3.85Å; W338-F350 VanDerWaalsContact CE3-CA 3.48Å; Y339-F350 PolarHBondContact N-O 2.99Å; Y339-F350 PolarHBondContact O-N 3.27Å; F350-V355 HydrophobicContact CD2-CG1 3.83Å; F350-V355 HydrophobicContact CD2-CG2 4.42Å; F350-V355 HydrophobicContact CE2-CB 4.38Å; F350-V355 HydrophobicContact CE2-CG1 3.63Å; F350-V355 HydrophobicContact CE2-CG2 3.9Å
351P94.9Very high91.9Very high23 Ų2358.9 Ų58.915%0.14933%0.325CS..EExtended strand (participates in β ladder)trans-69.1137.8-176.4-18.631.7000112.7F312 N337 W338 N353 Y354F312-P351 HydrophobicContact CD2-CG 4.28Å; F312-P351 VanDerWaalsContact CE2-CD 3.45Å; F312-P351 HydrophobicContact CE2-CG 3.67Å; F312-P351 HydrophobicContact CZ-CG 4.14Å; N337-P351 WeakPolarHBondContact O-CA 3.29Å; W338-P351 HydrophobicContact CE3-CG 4.39Å; W338-P351 HydrophobicContact CH2-CG 3.97Å; W338-P351 HydrophobicContact CZ2-CG 4.44Å; W338-P351 HydrophobicContact CZ3-CG 3.93Å; P351-N353 VanDerWaalsContact C-N 3.26Å; P351-N353 PolarHBondContact O-N 3.29Å; P351-Y354 HydrophobicContact CB-CD2 3.98Å; P351-Y354 HydrophobicContact CG-CD2 4.3Å; P351-Y354 PolarHBondContact O-N 3.05Å
352I94.6Very high91.2Very high28 Ų2864.1 Ų64.114%0.14436%0.359CS..G310 helixtrans-60.4-36.6179.5-62.1-175.2000111.7N337 Y339 Y354 V355N337-I352 PolarHBondContact O-N 3.16Å; Y339-I352 HydrophobicContact CD2-CB 4.21Å; Y339-I352 HydrophobicContact CD2-CD1 4.1Å; Y339-I352 HydrophobicContact CD2-CG1 3.51Å; Y339-I352 HydrophobicContact CD2-CG2 4.25Å; Y339-I352 HydrophobicContact CE1-CD1 4.47Å; Y339-I352 HydrophobicContact CE2-CB 4.21Å; Y339-I352 HydrophobicContact CE2-CD1 3.86Å; Y339-I352 HydrophobicContact CE2-CG1 3.67Å; Y339-I352 HydrophobicContact CE2-CG2 3.79Å; Y339-I352 HydrophobicContact CG-CD1 4.44Å; Y339-I352 HydrophobicContact CG-CG1 4.03Å; I352-Y354 PolarHBondContact O-N 2.94Å; I352-Y354 VanDerWaalsContact O-N 3.09Å; I352-V355 WeakPolarHBondContact O-CG2 3.34Å; I352-V355 PolarHBondContact O-N 3.38Å
353N95.4Very high89.6Confident129 Ų12972.9 Ų72.969%0.6940%0.399SS*.G310 helixtrans-70.7-5.5-176.3-65.7-18.6000114.1P351P351-N353 VanDerWaalsContact C-N 3.26Å; P351-N353 PolarHBondContact O-N 3.29Å
354Y93.8Very high89.6Confident93 Ų9375.8 Ų75.837%0.36542%0.415SS..G310 helixtrans-96.3-1.7179-84.2-119.6000112.8L309 Y310 F312 P351 I352L309-Y354 PolarHBondContact N-O 3.21Å; Y310-Y354 HydrophobicContact CD2-CD1 4.33Å; Y310-Y354 HydrophobicContact CD2-CG 4.39Å; F312-Y354 HydrophobicContact CB-CD1 4.14Å; F312-Y354 HydrophobicContact CD2-CD1 4.02Å; F312-Y354 HydrophobicContact CD2-CE1 4.1Å; P351-Y354 HydrophobicContact CB-CD2 3.98Å; P351-Y354 HydrophobicContact CG-CD2 4.3Å; P351-Y354 PolarHBondContact O-N 3.05Å; I352-Y354 PolarHBondContact O-N 2.94Å; I352-Y354 VanDerWaalsContact O-N 3.09Å
355V93.9Very high89.7Confident11 Ų1171.2 Ų71.27%0.06740%0.397CS..EExtended strand (participates in β ladder)trans-135.1151.1-174-59.30000112.4C306 R307 F322 I328 Y339 F350 I352C306-V355 HydrophobicContact CB-CB 3.93Å; C306-V355 HydrophobicContact CB-CG2 4.03Å; R307-V355 CarbonylContact O-C 3.22Å; R307-V355 VanDerWaalsContact O-CA 3.26Å; R307-V355 WeakPolarHBondContact O-CA 3.34Å; F322-V355 HydrophobicContact CE2-CG1 4.34Å; F322-V355 HydrophobicContact CZ-CG1 4.03Å; I328-V355 HydrophobicContact CD1-CG1 4.3Å; Y339-V355 HydrophobicContact CD2-CG2 4.33Å; F350-V355 HydrophobicContact CD2-CG1 3.83Å; F350-V355 HydrophobicContact CD2-CG2 4.42Å; F350-V355 HydrophobicContact CE2-CB 4.38Å; F350-V355 HydrophobicContact CE2-CG1 3.63Å; F350-V355 HydrophobicContact CE2-CG2 3.9Å; I352-V355 WeakPolarHBondContact O-CG2 3.34Å; I352-V355 PolarHBondContact O-N 3.38Å
356D94.5Very high90.1Very high62 Ų6271.8 Ų71.833%0.33239%0.385SS..EExtended strand (participates in β ladder)trans-105116.1172.9177.332.7000108.6C306 R307 L309 L358C306-D356 CarbonylContact C-O 3.5Å; C306-D356 VanDerWaalsContact CA-O 3.23Å; C306-D356 WeakPolarHBondContact CA-O 3.3Å; C306-D356 WeakPolarHBondContact CB-O 3.29Å; R307-D356 IonicContact CZ-OD2 3.86Å; R307-D356 PolarHBondContact N-O 3.39Å; R307-D356 IonicContact NE-OD2 2.99Å; R307-D356 IonicContact NH2-OD2 3.78Å; R307-D356 PolarHBondContact NH2-OD2 3.18Å; R307-D356 PolarHBondContact O-N 2.93Å; L309-D356 HydrophobicContact CD1-CB 4.14Å; L309-D356 HydrophobicContact CD2-CB 3.85Å; L309-D356 HydrophobicContact CG-CB 3.94Å; D356-L358 PolarHBondContact O-N 2.93Å
357I92.4Very high90.3Very high66 Ų6669.5 Ų69.534%0.33837%0.373SS..EExtended strand (participates in β ladder)trans-73.5117.4-175.3-57171.1000109L330 Y339 P360L330-I357 HydrophobicContact CD1-CG2 4.33Å; Y339-I357 HydrophobicContact CE2-CD1 3.75Å; Y339-I357 HydrophobicContact CE2-CG1 4.1Å; Y339-I357 VanDerWaalsContact OH-CD1 3.26Å; Y339-I357 WeakPolarHBondContact OH-CD1 3.4Å; I357-P360 HydrophobicContact CG2-CB 4.18Å
358L90.8Very high90.1Very high79 Ų7969.1 Ų69.141%0.41436%0.363SS..EExtended strand (participates in β ladder)trans-90.2-44.5177.8-58.7-177000111.2C305 R307 I327 D356C305-L358 PolarHBondContact O-N 2.92Å; R307-L358 HydrophobicContact CB-CD1 4.11Å; R307-L358 HydrophobicContact CB-CD2 4.43Å; R307-L358 HydrophobicContact CB-CG 4.26Å; I327-L358 HydrophobicContact CD1-CD1 3.88Å; D356-L358 PolarHBondContact O-N 2.93Å
359V90.9Very high89.9Confident33 Ų3373.5 Ų73.520%0.238%0.384CS..EExtended strand (participates in β ladder)trans-133.2115.8175.8-176.80000107.6P304 C305P304-V359 CarbonylContact C-O 3.5Å; P304-V359 VanDerWaalsContact CA-O 3.25Å; P304-V359 WeakPolarHBondContact CA-O 3.25Å; C305-V359 PolarHBondContact N-O 3.01Å; C305-V359 PolarHBondContact O-N 3.24Å
360P88.4Confident89.5Confident88 Ų8873.6 Ų73.657%0.57139%0.389SS*.PPolyproline II helixtrans-70.9159.6-177.529.9-34.9000111.8I357I357-P360 HydrophobicContact CG2-CB 4.18Å
361L87.5Confident89Confident42 Ų4279.2 Ų79.222%0.2242%0.419CS..PPolyproline II helixtrans-63.2141.2168.7-71162.7000110P304 L330 K333 Y339P304-L361 HydrophobicContact CB-CD2 3.74Å; P304-L361 HydrophobicContact CB-CG 4.19Å; P304-L361 HydrophobicContact CG-CD2 4.09Å; L330-L361 HydrophobicContact CB-CD2 3.99Å; L330-L361 HydrophobicContact CB-CG 4.09Å; K333-L361 HydrophobicContact CB-CD1 4.1Å; Y339-L361 HydrophobicContact CD1-CD1 4.22Å; Y339-L361 HydrophobicContact CE1-CD1 4.03Å
362P80.1Confident88.6Confident110 Ų11083.9 Ų83.971%0.71444%0.441SS*.PPolyproline II helixtrans-60.9139.9172.324.4-31000110.3
363Q60.3Low88Confident266 Ų26689 Ų89100%1.24347%0.468SS*.  trans-69.20-179-72.8-171.4-0.400113.4

Retrieved 363 of 363 residues in 424.6 ms (Link to these results)

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