A0A3Q0KMH2_SCHMA Loading...

Stabilizer of axonemal microtubules 6

Microtubule-binding protein that negatively regulates centriole duplication. Binds to and stabilizes microtubules.

AlphaFold DB , UniProt , Accession A0A3Q0KMH2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 640 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
1M35.2Very low41.9Very low250 Ų250168.4 Ų168.4100%1.23287%0.87SS**  086.20-74.7-82.7-161.100108.5
2G42.2Very low41.7Very low72 Ų72172.3 Ų172.374%0.74288%0.876SS**  trans-125.110717600000108.7
3K39.5Very low42Very low203 Ų203174 Ų17488%0.88387%0.874SS**  trans-86.8108176.8-73.5-176.1177.8-177.80108.4
4I44.6Very low41.7Very low153 Ų153178.4 Ų178.479%0.78587%0.874SS**  trans-77.3119.8169.8-64.2162.1000106.6E6I4-E6 HydrophobicContact CG2-CG 4.29Å
5T46Very low41.6Very low133 Ų133179.9 Ų179.982%0.81687%0.874SS**  trans-109.2104.7173.531.50000106.8
6E49Very low41.7Very low181 Ų181180.4 Ų180.485%0.84687%0.872SS**PPolyproline II helixtrans-78.8122.6173.2-72.7-174.4156.900109.5I4I4-E6 HydrophobicContact CG2-CG 4.29Å
7E47.9Very low41.5Very low182 Ų182180.5 Ų180.585%0.8587%0.87SS**PPolyproline II helixtrans-77.7138.1171.1-85.5-169.7146.400111.4
8P38.1Very low41.8Very low120 Ų120178.9 Ų178.978%0.77987%0.866SS**PPolyproline II helixtrans-75.4128-178.427.6-32.5000113.6F10P8-F10 PolarHBondContact O-N 2.85Å
9L42.1Very low42Very low163 Ų163176 Ų17685%0.85386%0.86SS**SBendtrans-79.962.3-171.7-156.194.1000114
10F36.8Very low42.6Very low204 Ų204176 Ų17690%0.89586%0.864SS**  trans-136.316.4175.4-75.3-72.7000117.3P8P8-F10 PolarHBondContact O-N 2.85Å
11Q39.8Very low43.2Very low191 Ų191176.3 Ų176.389%0.89386%0.864SS**  trans-108.424177.6-67.5-1652.100116.6K13Q11-K13 VanDerWaalsContact C-N 3.3Å; Q11-K13 PolarHBondContact O-N 3.31Å; Q11-K13 VanDerWaalsContact O-N 3.07Å
12K39.3Very low44.6Very low216 Ų216170.7 Ų170.794%0.93983%0.833SS**  trans-84.768168.7-93-176.4176.5174.80112R14K12-R14 PolarHBondContact O-N 3.34Å
13K45.2Very low45.8Very low194 Ų194169.8 Ų169.884%0.84381%0.811SS**  trans-75109.2161-75-174.5177.9179.50108.4Q11 K15Q11-K13 VanDerWaalsContact C-N 3.3Å; Q11-K13 PolarHBondContact O-N 3.31Å; Q11-K13 VanDerWaalsContact O-N 3.07Å; K13-K15 PolarHBondContact O-N 3.17Å
14R37.7Very low47.3Very low235 Ų235161.9 Ų161.989%0.88778%0.778SS**  trans-54119.8170.9-85.6-179.7179.4149-0.4109.4K12 F16K12-R14 PolarHBondContact O-N 3.34Å; R14-F16 PolarHBondContact O-N 2.81Å
15K40.5Very low48.5Very low201 Ų201156.5 Ų156.587%0.87475%0.751SS**  trans-75.9115.4170.6-61.9-171.5177.9-175.30108.1K13K13-K15 PolarHBondContact O-N 3.17Å
16F43.7Very low49.7Very low189 Ų189155.4 Ų155.483%0.82974%0.744SS**  trans-86.5113.2162.3-96-89.1000106.9R14 L18R14-F16 PolarHBondContact O-N 2.81Å; F16-L18 PolarHBondContact O-N 2.77Å
17E37.5Very low50.6Low182 Ų182151.8 Ų151.885%0.8573%0.727SS**  trans-73.3105.6170.1-69.2178.9174.200108T19E17-T19 PolarHBondContact O-N 3.24Å
18L46.6Very low51.8Low152 Ų152145.7 Ų145.780%0.79670%0.698SS**  trans-79.9108.9168.8-79.9158.8000107.4F16F16-L18 PolarHBondContact O-N 2.77Å
19T46.6Very low53.2Low123 Ų123143.5 Ų143.576%0.75569%0.69SS**  trans-62.5132.5168.344.80000109.4E17 E21E17-T19 PolarHBondContact O-N 3.24Å; T19-E21 PolarHBondContact O-N 3.48Å
20N54.3Low54.4Low175 Ų175138.5 Ų138.594%0.93666%0.664SS**THydrogen-bonded Turntrans-70.126.5-161.8-104.3-11.9000116.9
21E54.9Low55.7Low184 Ų184132.1 Ų132.186%0.8664%0.643SS**THydrogen-bonded Turntrans-116.7-3.8-175.2-67.8-171.9171.300115.2T19 N23T19-E21 PolarHBondContact O-N 3.48Å; E21-N23 PolarHBondContact O-N 3.42Å
22F63.5Low56.9Low131 Ų131131.4 Ų131.458%0.57564%0.637SS**  trans-84.195.6177.8-169.4-94.5000111.5L24F22-L24 HydrophobicContact CE1-CD2 3.68Å; F22-L24 HydrophobicContact CE1-CG 3.96Å; F22-L24 HydrophobicContact CZ-CD2 4.03Å
23N68.5Low58.4Low54 Ų54127.6 Ų127.629%0.28962%0.623SS.*  trans-110.9120.4175.6-166.5-17.6000111.1E21 N25 T26 S42E21-N23 PolarHBondContact O-N 3.42Å; N23-N25 VanDerWaalsContact C-N 3.26Å; N23-N25 PolarHBondContact O-N 2.73Å; N23-N25 PolarHBondContact OD1-N 3.4Å; N23-T26 WeakPolarHBondContact CB-OG1 3.41Å; N23-T26 PolarHBondContact O-N 3.41Å; N23-T26 PolarHBondContact O-OG1 3.15Å; N23-T26 VanDerWaalsContact O-OG1 3.05Å; N23-S42 PolarHBondContact ND2-O 2.67Å
24L70.1Confident59.9Low36 Ų36120 Ų12019%0.18859%0.592CS.*Hα-helixtrans-66-29.1-178.2-74.2165.6000112.4F22 T26 Q27 F28 V38 S49 A51F22-L24 HydrophobicContact CE1-CD2 3.68Å; F22-L24 HydrophobicContact CE1-CG 3.96Å; F22-L24 HydrophobicContact CZ-CD2 4.03Å; L24-T26 VanDerWaalsContact C-N 3.35Å; L24-T26 PolarHBondContact O-N 3.26Å; L24-Q27 PolarHBondContact O-N 2.94Å; L24-F28 HydrophobicContact CD2-CD2 4.06Å; L24-F28 HydrophobicContact CD2-CE2 3.82Å; L24-F28 WeakPolarHBondContact O-CD2 3.42Å; L24-F28 PolarHBondContact O-N 3.4Å; L24-V38 HydrophobicContact CB-CG1 3.9Å; L24-V38 HydrophobicContact CB-CG2 4.21Å; L24-S49 WeakPolarHBondContact CD1-O 3.3Å; L24-A51 HydrophobicContact CD2-CB 4.39Å
25N69.7Low62Low41 Ų41112.9 Ų112.922%0.21957%0.571CS.*Hα-helixtrans-71.1-27.8-178.5-77.4-15.1000113N23 A29 V38 G40 S42 S49N23-N25 VanDerWaalsContact C-N 3.26Å; N23-N25 PolarHBondContact O-N 2.73Å; N23-N25 PolarHBondContact OD1-N 3.4Å; N25-A29 WeakPolarHBondContact O-CA 3.19Å; N25-A29 WeakPolarHBondContact O-CB 3.49Å; N25-A29 PolarHBondContact O-N 3.17Å; N25-V38 VanDerWaalsContact OD1-CB 3.29Å; N25-V38 WeakPolarHBondContact OD1-CB 3.34Å; N25-V38 WeakPolarHBondContact OD1-CG1 3.46Å; N25-G40 PolarHBondContact ND2-O 3.05Å; N25-S42 WeakPolarHBondContact ND2-CA 3.46Å; N25-S42 PolarHBondContact ND2-N 3.04Å; N25-S42 VanDerWaalsContact ND2-N 3.17Å; N25-S49 PolarHBondContact ND2-OG 3.18Å
26T71.7Confident64Low110 Ų110107.1 Ų107.168%0.67554%0.544SS*.Hα-helixtrans-78-31.617415.30000112.7N23 L24N23-T26 WeakPolarHBondContact CB-OG1 3.41Å; N23-T26 PolarHBondContact O-N 3.41Å; N23-T26 PolarHBondContact O-OG1 3.15Å; N23-T26 VanDerWaalsContact O-OG1 3.05Å; L24-T26 VanDerWaalsContact C-N 3.35Å; L24-T26 PolarHBondContact O-N 3.26Å
27Q68.9Low65.8Low104 Ų104102 Ų10249%0.48652%0.522SS..Hα-helixtrans-80.4-30179.7-68.7-172.72.100113.4L24L24-Q27 PolarHBondContact O-N 2.94Å
28F71.8Confident68Low55 Ų5594.7 Ų94.724%0.24149%0.489CS..SBendtrans-125.344.3-175.1-57.7-70.9000111.6L24 N30 D34 Y36 V38L24-F28 HydrophobicContact CD2-CD2 4.06Å; L24-F28 HydrophobicContact CD2-CE2 3.82Å; L24-F28 WeakPolarHBondContact O-CD2 3.42Å; L24-F28 PolarHBondContact O-N 3.4Å; F28-N30 VanDerWaalsContact C-N 3.3Å; F28-N30 PolarHBondContact O-N 3.42Å; F28-D34 WeakPolarHBondContact CA-OD2 2.97Å; F28-D34 HydrophobicContact CD1-CB 4.22Å; F28-Y36 HydrophobicContact CD1-CD2 4.31Å; F28-Y36 AromaticContact CE1-CD2 3.85Å; F28-Y36 HydrophobicContact CE1-CD2 3.85Å; F28-Y36 HydrophobicContact CZ-CD2 4.36Å; F28-V38 HydrophobicContact CB-CG2 3.55Å; F28-V38 HydrophobicContact CD2-CG2 4.05Å; F28-V38 HydrophobicContact CG-CG2 4.18Å
29A67.5Low69.6Low74 Ų7492.8 Ų92.861%0.61248%0.479SS*.  trans-71.9-22.2-175.700000113.1N25 P31 D34N25-A29 WeakPolarHBondContact O-CA 3.19Å; N25-A29 WeakPolarHBondContact O-CB 3.49Å; N25-A29 PolarHBondContact O-N 3.17Å; A29-P31 WeakPolarHBondContact O-CD 3.49Å; A29-D34 PolarHBondContact N-OD2 3.23Å
30N67.1Low71.2Confident58 Ų5888.6 Ų88.631%0.3146%0.46SS..  trans-106.897-169.9-164.8-8.8000111.9F28 K32 E33 D34F28-N30 VanDerWaalsContact C-N 3.3Å; F28-N30 PolarHBondContact O-N 3.42Å; N30-K32 PolarHBondContact O-N 3.42Å; N30-K32 PolarHBondContact OD1-N 2.94Å; N30-E33 HydrophobicContact CB-CB 4.22Å; N30-E33 PolarHBondContact ND2-OE2 3.47Å; N30-E33 PolarHBondContact O-N 3.06Å; N30-D34 PolarHBondContact N-OD2 3.32Å; N30-D34 WeakPolarHBondContact O-CB 3.35Å; N30-D34 PolarHBondContact O-N 3.21Å
31P64Low72.2Confident69 Ų6982.5 Ų82.545%0.44843%0.43SS..THydrogen-bonded Turntrans-57.6-23.6-178.319.5-31.7000114.2A29 F37A29-P31 WeakPolarHBondContact O-CD 3.49Å; P31-F37 HydrophobicContact CB-CD1 3.74Å; P31-F37 HydrophobicContact CB-CE1 3.39Å
32K66Low72.8Confident176 Ų17676.3 Ų76.377%0.76541%0.407SS*.THydrogen-bonded Turntrans-86.3-23.3-179.1-69-175.9-179176.70113.4N30 K57N30-K32 PolarHBondContact O-N 3.42Å; N30-K32 PolarHBondContact OD1-N 2.94Å; K32-K57 WeakPolarHBondContact O-CE 3.15Å; K32-K57 PolarHBondContact O-NZ 3.37Å
33E70.6Confident73.1Confident137 Ų13775.2 Ų75.264%0.6441%0.407SS*.THydrogen-bonded Turntrans-104.1-34.7-177.8-73.6176.8-176.800111.4N30 K57N30-E33 HydrophobicContact CB-CB 4.22Å; N30-E33 PolarHBondContact ND2-OE2 3.47Å; N30-E33 PolarHBondContact O-N 3.06Å; E33-K57 VanDerWaalsContact CA-NZ 3.25Å; E33-K57 PolarHBondContact O-NZ 3.37Å
34D77.7Confident73Confident35 Ų3574.8 Ų74.819%0.18742%0.416CS..  trans-82.3142.1-171.1-61.4-35.5000113.1F28 A29 N30 Y36 N54F28-D34 WeakPolarHBondContact CA-OD2 2.97Å; F28-D34 HydrophobicContact CD1-CB 4.22Å; A29-D34 PolarHBondContact N-OD2 3.23Å; N30-D34 PolarHBondContact N-OD2 3.32Å; N30-D34 WeakPolarHBondContact O-CB 3.35Å; N30-D34 PolarHBondContact O-N 3.21Å; D34-Y36 PolarHBondContact O-N 3.47Å; D34-N54 PolarHBondContact O-ND2 3.24Å
35D81.7Confident73Confident84 Ų8481 Ų8145%0.44944%0.441SS..SBendtrans-74.5-2.5175.1-80.5-11.7000112.4N54D35-N54 WeakPolarHBondContact O-CB 2.85Å; D35-N54 PolarHBondContact O-N 3.29Å
36Y82.4Confident73.1Confident80 Ų8088.3 Ų88.331%0.31447%0.471SS..EExtended strand (participates in β ladder)trans-133.7146.6-179.1-57.8-90.5000109.9F28 D34 Y52 R53F28-Y36 HydrophobicContact CD1-CD2 4.31Å; F28-Y36 AromaticContact CE1-CD2 3.85Å; F28-Y36 HydrophobicContact CE1-CD2 3.85Å; F28-Y36 HydrophobicContact CZ-CD2 4.36Å; D34-Y36 PolarHBondContact O-N 3.47Å; Y36-Y52 CarbonylContact C-O 3.46Å; Y36-Y52 WeakPolarHBondContact CA-O 3.29Å; Y36-R53 HydrophobicContact CD1-CB 3.94Å; Y36-R53 HydrophobicContact CD1-CG 4.09Å; Y36-R53 HydrophobicContact CE1-CB 3.87Å; Y36-R53 HydrophobicContact CE1-CG 3.74Å
37F81.8Confident73.2Confident83 Ų8386 Ų8636%0.36446%0.46SS..EExtended strand (participates in β ladder)trans-108.9134.9165.8-63.9-74.9000108.5P31 A51 Y52 N54P31-F37 HydrophobicContact CB-CD1 3.74Å; P31-F37 HydrophobicContact CB-CE1 3.39Å; F37-A51 CarbonylContact O-C 3.43Å; F37-Y52 PolarHBondContact N-O 3.45Å; F37-Y52 PolarHBondContact O-N 3Å; F37-N54 HydrophobicContact CD2-CB 3.6Å; F37-N54 HydrophobicContact CE2-CB 3.44Å; F37-N54 VanDerWaalsContact CE2-CB 3.44Å; F37-N54 WeakPolarHBondContact CE2-ND2 3.18Å; F37-N54 WeakPolarHBondContact CE2-OD1 3.49Å; F37-N54 HydrophobicContact CG-CB 4.47Å; F37-N54 HydrophobicContact CZ-CB 4.16Å; F37-N54 WeakPolarHBondContact CZ-ND2 2.92Å
38V82.4Confident73.6Confident28 Ų2887.5 Ų87.517%0.1747%0.471CS..EExtended strand (participates in β ladder)trans-101132.2178.3-171.30000109.7L24 N25 F28 I50 A51L24-V38 HydrophobicContact CB-CG1 3.9Å; L24-V38 HydrophobicContact CB-CG2 4.21Å; N25-V38 VanDerWaalsContact OD1-CB 3.29Å; N25-V38 WeakPolarHBondContact OD1-CB 3.34Å; N25-V38 WeakPolarHBondContact OD1-CG1 3.46Å; F28-V38 HydrophobicContact CB-CG2 3.55Å; F28-V38 HydrophobicContact CD2-CG2 4.05Å; F28-V38 HydrophobicContact CG-CG2 4.18Å; V38-I50 WeakPolarHBondContact CA-O 3.38Å; V38-A51 HydrophobicContact CG2-CB 3.94Å
39I80.9Confident74.1Confident112 Ų11285.6 Ų85.657%0.57447%0.465SS*.EExtended strand (participates in β ladder)trans-119123.5176.3-58.3177.6000107.3I50 Y52I39-I50 PolarHBondContact N-O 2.87Å; I39-I50 PolarHBondContact O-N 3.28Å; I39-Y52 HydrophobicContact CB-CD2 4.39Å; I39-Y52 HydrophobicContact CB-CE2 4.33Å; I39-Y52 HydrophobicContact CD1-CD2 3.8Å; I39-Y52 HydrophobicContact CD1-CE2 4.01Å; I39-Y52 HydrophobicContact CG1-CD2 4.13Å; I39-Y52 HydrophobicContact CG1-CE2 4.45Å
40G79.6Confident74.9Confident35 Ų3586.2 Ų86.236%0.36146%0.457SS..SBendtrans136.5165.8177.600000112.7N25 S49N25-G40 PolarHBondContact ND2-O 3.05Å; G40-S49 PolarHBondContact O-OG 2.87Å
41P75.1Confident75.7Confident46 Ų4685.2 Ų85.230%0.29946%0.456SS..  trans-67137.6-177.927.3-32.6000111D43 S47 S49P41-D43 PolarHBondContact O-N 2.98Å; P41-S47 WeakPolarHBondContact CD-OG 3.12Å; P41-S47 WeakPolarHBondContact CG-OG 3.42Å; P41-S49 PolarHBondContact O-OG 2.9Å
42S68.8Low76.6Confident54 Ų5488.1 Ų88.138%0.37846%0.459SS..THydrogen-bonded Turntrans-60.8-30.517146.90000112.2N23 N25 G44N23-S42 PolarHBondContact ND2-O 2.67Å; N25-S42 WeakPolarHBondContact ND2-CA 3.46Å; N25-S42 PolarHBondContact ND2-N 3.04Å; N25-S42 VanDerWaalsContact ND2-N 3.17Å; S42-G44 VanDerWaalsContact C-N 3.25Å; S42-G44 PolarHBondContact O-N 2.92Å
43D67.9Low77.3Confident108 Ų10885.6 Ų85.658%0.57845%0.445SS*.THydrogen-bonded Turntrans-82.8-2.5-163.7-67.29.1000113.2P41 K45P41-D43 PolarHBondContact O-N 2.98Å; D43-K45 HydrophobicContact CB-CD 4.47Å; D43-K45 WeakPolarHBondContact O-CG 3.33Å; D43-K45 PolarHBondContact O-N 2.75Å
44G66.8Low77.7Confident46 Ų4679.4 Ų79.447%0.47442%0.416SS..  trans61-5.1176.500000116.1S42S42-G44 VanDerWaalsContact C-N 3.25Å; S42-G44 PolarHBondContact O-N 2.92Å
45K71.3Confident77.4Confident167 Ų16785.7 Ų85.773%0.72644%0.442SS*.SBendtrans-72.9-37.7-172.6-71.8172.6-172.3177.80113.8D43D43-K45 HydrophobicContact CB-CD 4.47Å; D43-K45 WeakPolarHBondContact O-CG 3.33Å; D43-K45 PolarHBondContact O-N 2.75Å
46F71Confident76.7Confident194 Ų19488.9 Ų88.985%0.85146%0.456SS*.SBendtrans-103.7-31.1-173.1-64.8-73.5000113
47S73Confident76Confident61 Ų6187.5 Ų87.543%0.42745%0.451SS..SBendtrans-166.2157.4176.756.70000110.4P41P41-S47 WeakPolarHBondContact CD-OG 3.12Å; P41-S47 WeakPolarHBondContact CG-OG 3.42Å
48N79.2Confident74.8Confident136 Ų13690 Ų9073%0.72746%0.459SS*.  trans-70.9136.2173-66.5-20.8000109.7
49S82.4Confident73.5Confident15 Ų1595 Ų9511%0.10548%0.484CS..  trans-62.4142.6166.8-80.30000110.6L24 N25 G40 P41L24-S49 WeakPolarHBondContact CD1-O 3.3Å; N25-S49 PolarHBondContact ND2-OG 3.18Å; G40-S49 PolarHBondContact O-OG 2.87Å; P41-S49 PolarHBondContact O-OG 2.9Å
50I83.5Confident72.2Confident87 Ų8793.5 Ų93.545%0.44649%0.488SS..EExtended strand (participates in β ladder)trans-123.4122.7-178.7-58.4174.1000109.1V38 I39 Y52V38-I50 WeakPolarHBondContact CA-O 3.38Å; I39-I50 PolarHBondContact N-O 2.87Å; I39-I50 PolarHBondContact O-N 3.28Å; I50-Y52 HydrophobicContact CB-CE2 4.13Å; I50-Y52 HydrophobicContact CG2-CD2 4.22Å; I50-Y52 HydrophobicContact CG2-CE2 3.66Å
51A83.8Confident70.8Confident36 Ų36101 Ų10130%0.29851%0.506SS..EExtended strand (participates in β ladder)trans-89.2120.117700000111.3L24 F37 V38L24-A51 HydrophobicContact CD2-CB 4.39Å; F37-A51 CarbonylContact O-C 3.43Å; V38-A51 HydrophobicContact CG2-CB 3.94Å
52Y81.8Confident69.3Low131 Ų131103.3 Ų103.351%0.51452%0.523SS..EExtended strand (participates in β ladder)trans-102.8140.3173.3-70-84.2000110.9Y36 F37 I39 I50 N54Y36-Y52 CarbonylContact C-O 3.46Å; Y36-Y52 WeakPolarHBondContact CA-O 3.29Å; F37-Y52 PolarHBondContact N-O 3.45Å; F37-Y52 PolarHBondContact O-N 3Å; I39-Y52 HydrophobicContact CB-CD2 4.39Å; I39-Y52 HydrophobicContact CB-CE2 4.33Å; I39-Y52 HydrophobicContact CD1-CD2 3.8Å; I39-Y52 HydrophobicContact CD1-CE2 4.01Å; I39-Y52 HydrophobicContact CG1-CD2 4.13Å; I39-Y52 HydrophobicContact CG1-CE2 4.45Å; I50-Y52 HydrophobicContact CB-CE2 4.13Å; I50-Y52 HydrophobicContact CG2-CD2 4.22Å; I50-Y52 HydrophobicContact CG2-CE2 3.66Å; Y52-N54 PolarHBondContact O-N 3.48Å
53R80.7Confident67.9Low123 Ų123106.6 Ų106.646%0.46454%0.541SS..EExtended strand (participates in β ladder)trans-70.6125.4-179.3-159.8175.5-166.4161.112.8111.8Y36 K55Y36-R53 HydrophobicContact CD1-CB 3.94Å; Y36-R53 HydrophobicContact CD1-CG 4.09Å; Y36-R53 HydrophobicContact CE1-CB 3.87Å; Y36-R53 HydrophobicContact CE1-CG 3.74Å; R53-K55 PolarHBondContact O-N 2.72Å; R53-K55 VanDerWaalsContact O-N 3.13Å
54N79Confident66.5Low7 Ų7106 Ų1064%0.03755%0.545CS..  trans-69.1102.9178.9-176.3-10.1000110.9D34 D35 F37 Y52 M56D34-N54 PolarHBondContact O-ND2 3.24Å; D35-N54 WeakPolarHBondContact O-CB 2.85Å; D35-N54 PolarHBondContact O-N 3.29Å; F37-N54 HydrophobicContact CD2-CB 3.6Å; F37-N54 HydrophobicContact CE2-CB 3.44Å; F37-N54 VanDerWaalsContact CE2-CB 3.44Å; F37-N54 WeakPolarHBondContact CE2-ND2 3.18Å; F37-N54 WeakPolarHBondContact CE2-OD1 3.49Å; F37-N54 HydrophobicContact CG-CB 4.47Å; F37-N54 HydrophobicContact CZ-CB 4.16Å; F37-N54 WeakPolarHBondContact CZ-ND2 2.92Å; Y52-N54 PolarHBondContact O-N 3.48Å; N54-M56 WeakPolarHBondContact OD1-CB 3.07Å; N54-M56 PolarHBondContact OD1-N 2.75Å; N54-M56 VanDerWaalsContact OD1-N 3.09Å
55K73.2Confident65.2Low167 Ų167109.7 Ų109.773%0.72656%0.561SS**Hα-helixtrans-74.7-23.7-179.3-63.5-176.1-177.2177.50113.2R53 K57 R58R53-K55 PolarHBondContact O-N 2.72Å; R53-K55 VanDerWaalsContact O-N 3.13Å; K55-K57 VanDerWaalsContact C-N 3.3Å; K55-K57 PolarHBondContact O-N 3.34Å; K55-R58 PolarHBondContact O-N 3.07Å
56M65.8Low63.4Low150 Ų150110.9 Ų110.974%0.73957%0.566SS**Hα-helixtrans-65.4-33.5-176.1-64.2-126.97600112.1N54N54-M56 WeakPolarHBondContact OD1-CB 3.07Å; N54-M56 PolarHBondContact OD1-N 2.75Å; N54-M56 VanDerWaalsContact OD1-N 3.09Å
57K67Low61.7Low51 Ų51110.9 Ų110.922%0.22257%0.566CS.*Hα-helixtrans-72.2-28.8175.9-76.6-159173.1-167.60114.7K32 E33 K55 A60 R61K32-K57 WeakPolarHBondContact O-CE 3.15Å; K32-K57 PolarHBondContact O-NZ 3.37Å; E33-K57 VanDerWaalsContact CA-NZ 3.25Å; E33-K57 PolarHBondContact O-NZ 3.37Å; K55-K57 VanDerWaalsContact C-N 3.3Å; K55-K57 PolarHBondContact O-N 3.34Å; K57-A60 PolarHBondContact O-N 3.03Å; K57-R61 PolarHBondContact O-N 3.43Å
58R57.8Low59.9Low137 Ų137117.6 Ų117.652%0.51759%0.587SS.*Hα-helixtrans-69.5-35.3-179-83.5-172.8157.8-170.9-14.1112.5K55 A60 R61 S62K55-R58 PolarHBondContact O-N 3.07Å; R58-A60 PolarHBondContact O-N 3.44Å; R58-R61 PolarHBondContact O-N 3.2Å; R58-S62 PolarHBondContact O-N 3.23Å; R58-S62 PolarHBondContact O-OG 2.95Å
59N55.8Low57.7Low131 Ų131119.7 Ų119.770%0.70159%0.593SS**Hα-helixtrans-63-23.4176.1-66.3-5.8000112.1
60A52.6Low55.2Low81 Ų81126.8 Ų126.867%0.66962%0.624SS**Hα-helixtrans-90.2-18.3174.100000114.2K57 R58K57-A60 PolarHBondContact O-N 3.03Å; R58-A60 PolarHBondContact O-N 3.44Å
61R50.3Low52.6Low193 Ų193130.3 Ų130.373%0.72864%0.644SS**Hα-helixtrans-1111.3-174.9-72.7-172.7175.3-134.5-0.6115K57 R58 V63K57-R61 PolarHBondContact O-N 3.43Å; R58-R61 PolarHBondContact O-N 3.2Å; R61-V63 PolarHBondContact O-N 2.9Å
62S42.9Very low50.2Low95 Ų95135.3 Ų135.366%0.66466%0.664SS**  trans-77.461165.357.30000111R58R58-S62 PolarHBondContact O-N 3.23Å; R58-S62 PolarHBondContact O-OG 2.95Å
63V40.1Very low47.5Very low123 Ų123131.5 Ų131.575%0.74567%0.665SS**SBendtrans-141.2123.5160.8-170.40000108R61R61-V63 PolarHBondContact O-N 2.9Å
64S37.5Very low45Very low95 Ų95133.8 Ų133.866%0.66469%0.686SS**  trans74.7123.2167.7153.50000117.4K66S64-K66 PolarHBondContact O-N 2.82Å; S64-K66 VanDerWaalsContact O-N 3.14Å
65P39.7Very low42.4Very low124 Ų124137 Ų13781%0.80572%0.72SS**  trans-64.8115.2170.2-1.916000108.1K67P65-K67 VanDerWaalsContact C-N 3.34Å; P65-K67 PolarHBondContact O-N 3.32Å
66K34.8Very low40.5Very low191 Ų191137.3 Ų137.383%0.8373%0.729SS**  trans-58.3105.3161.3-77.5-165.3172.5-169.70107.2S64 K68S64-K66 PolarHBondContact O-N 2.82Å; S64-K66 VanDerWaalsContact O-N 3.14Å; K66-K68 PolarHBondContact O-N 2.77Å
67K35.3Very low38.6Very low195 Ų195139.1 Ų139.185%0.84873%0.733SS**  trans-40.3123.8156.1-96-179.3172-179.60106.5P65 Q69P65-K67 VanDerWaalsContact C-N 3.34Å; P65-K67 PolarHBondContact O-N 3.32Å; K67-Q69 VanDerWaalsContact C-N 3.33Å; K67-Q69 PolarHBondContact O-N 3.09Å
68K33.7Very low36.9Very low202 Ų202145.2 Ų145.288%0.87876%0.762SS**  trans-53.4105.3164.3-69.9-174.8175.1-176.10106K66 E70K66-K68 PolarHBondContact O-N 2.77Å; K68-E70 PolarHBondContact O-N 3.39Å; K68-E70 VanDerWaalsContact O-N 3.15Å
69Q32.9Very low35.4Very low180 Ų180147.3 Ų147.384%0.84178%0.778SS**  trans-63.6112.2157.9-97.4178.1-43.500104.8K67 N71K67-Q69 VanDerWaalsContact C-N 3.33Å; K67-Q69 PolarHBondContact O-N 3.09Å; Q69-N71 PolarHBondContact O-N 3.04Å
70E31.7Very low34.1Very low163 Ų163146.2 Ų146.276%0.76278%0.78SS**  trans-52.8108.1162.4-75.2173139.200107.4K68 I72K68-E70 PolarHBondContact O-N 3.39Å; K68-E70 VanDerWaalsContact O-N 3.15Å; E70-I72 HydrophobicContact CB-CG1 4.36Å; E70-I72 PolarHBondContact O-N 2.93Å
71N29.2Very low32.9Very low161 Ų161147.8 Ų147.886%0.86179%0.787SS**  trans-72.276.5158-82.6-16.9000107Q69Q69-N71 PolarHBondContact O-N 3.04Å
72I32Very low32.1Very low142 Ų142143.3 Ų143.373%0.72879%0.791SS**  trans-73.2118.7149.9-67.1167.4000104.2E70E70-I72 HydrophobicContact CB-CG1 4.36Å; E70-I72 PolarHBondContact O-N 2.93Å
73G24.6Very low31.4Very low51 Ų51147.5 Ų147.553%0.52680%0.8SS.*  trans-57.2163.5-169.800000113.1
74N29Very low31.3Very low170 Ų170149 Ų14991%0.90980%0.803SS**  -157.5114.7128.6-85.1-27.8000107.3L76N74-L76 PolarHBondContact O-N 2.98Å
75G24.8Very low30.8Very low74 Ų74151 Ų15176%0.76381%0.806SS**  trans-71.3119.415700000107.6
76L33.1Very low30.7Very low174 Ų174156.2 Ų156.291%0.91181%0.809SS**  trans-170.1143.9140.3-104.3138.7000109.9N74N74-L76 PolarHBondContact O-N 2.98Å
77K26Very low30.7Very low189 Ų189155 Ų15582%0.82281%0.807SS**  trans-66.5168.6-168.9-64.2164.7171.61760113.1
78Q31.3Very low30.5Very low179 Ų179152.4 Ų152.484%0.83680%0.801SS**  trans110.1103.3161.8-63.6174.5-1100112.7
79Q25.9Very low30.5Very low180 Ų180154.5 Ų154.584%0.84180%0.803SS**  76.9140.878.7-87.1-171-21.700114.7
80S29.7Very low30.3Very low108 Ų108155.5 Ų155.576%0.75580%0.804SS**  trans77.9107.6173.573.30000115.5
81S27.3Very low30.4Very low115 Ų115153 Ų15380%0.80481%0.805SS**  67.7109.969.876.20000113.9
82A32Very low30.7Very low99 Ų99150.4 Ų150.482%0.81880%0.799SS**  168.7131.6127.600000111.7
83Q29.3Very low31.1Very low183 Ų183149.4 Ų149.486%0.85580%0.802SS**  trans-58.5143.7165.2-60.3155.2-60.600111.2
84I37.2Very low31.7Very low155 Ų155154.1 Ų154.180%0.79581%0.814SS**  trans-137.5108.2139.1-61.2-175.9000109.4R86I84-R86 HydrophobicContact CG2-CG 4.27Å
85N28.3Very low31.9Very low137 Ų137154.2 Ų154.273%0.73381%0.814SS**  trans-76125.3164.3-164.5-5.3000108
86R37.7Very low32.6Very low233 Ų233159.3 Ų159.388%0.87982%0.815SS**  trans-138.6125.2162.9-90.7-168.2172.2175.4-1.6111.6I84I84-R86 HydrophobicContact CG2-CG 4.27Å
87Q34.6Very low32.9Very low165 Ų165156.2 Ų156.277%0.77181%0.805SS**  trans-77137-172-63.9165.5-12.300112.5
88I30Very low33.4Very low141 Ų141156.8 Ų156.872%0.72380%0.803SS**  34.6103126.8-46.4170.3000116.6K90I88-K90 HydrophobicContact CG2-CG 4.2Å
89R33Very low33.7Very low246 Ų246158.6 Ų158.693%0.92880%0.802SS**  trans-128.3117.3140.4-75.8-169.9176.3-169.5-1108.9S91R89-S91 PolarHBondContact O-N 2.96Å
90K29.4Very low34.6Very low200 Ų200154.8 Ų154.887%0.8779%0.788SS**  trans-75.9113.7175.7-64172.7179.6177.10107.9I88I88-K90 HydrophobicContact CG2-CG 4.2Å
91S34.6Very low35.4Very low112 Ų112158.7 Ų158.778%0.78379%0.794SS**  trans-108126.4165.857.40000109.3R89R89-S91 PolarHBondContact O-N 2.96Å
92S35.7Very low36.6Very low105 Ų105156 Ų15673%0.73478%0.779SS**  trans-56152.1177.9-370000112.5I94S92-I94 PolarHBondContact O-N 3.46Å
93P38.9Very low37.4Very low122 Ų122157.6 Ų157.679%0.79277%0.772SS**  trans-79.3108.7-165.331.5-31.5000110.6L95P93-L95 PolarHBondContact O-N 2.95Å
94I37.9Very low38.6Very low150 Ų150158.1 Ų158.177%0.76978%0.775SS**  trans-73.9107.2161.8-66.7171.5000106.6S92 K96S92-I94 PolarHBondContact O-N 3.46Å; I94-K96 PolarHBondContact O-N 3.05Å
95L33.7Very low39.5Very low172 Ų172155.6 Ų155.690%0.90177%0.767SS**  trans-49.596.7168.8-72.8153.2000109.6P93P93-L95 PolarHBondContact O-N 2.95Å
96K38.8Very low41.4Very low181 Ų181152.6 Ų152.679%0.78775%0.751SS**  trans-90.3141.5165.2-76.4-177.8179.3179.10108.4I94 Y98I94-K96 PolarHBondContact O-N 3.05Å; K96-Y98 PolarHBondContact O-N 3.34Å
97P40.2Very low43.5Very low109 Ų109144.3 Ų144.371%0.70874%0.738SS**  trans-68135.9-162.828.3-33.4000110.3R99P97-R99 PolarHBondContact O-N 3.15Å
98Y35.8Very low45.9Very low201 Ų201140.3 Ų140.379%0.78873%0.733SS**  trans-40.4105.5169.2-172.7-105.3000110.2K96 D100K96-Y98 PolarHBondContact O-N 3.34Å; Y98-D100 WeakPolarHBondContact CE1-OD1 3.08Å
99R38.1Very low48.5Very low216 Ų216138.6 Ų138.682%0.81572%0.722SS**  trans-92.7111.2167.7-83-73.5-149.9-120.32.3105.3P97 E101P97-R99 PolarHBondContact O-N 3.15Å; R99-E101 PolarHBondContact O-N 3.36Å
100D44.6Very low51.3Low101 Ų101132.6 Ų132.654%0.5470%0.703SS.*  trans-52.4112.8170.9-74-53.8000109.6Y98 A102Y98-D100 WeakPolarHBondContact CE1-OD1 3.08Å; D100-A102 PolarHBondContact O-N 3.15Å
101E47.2Very low54.2Low190 Ų190125.7 Ų125.789%0.88868%0.683SS**G310 helixtrans-72.715.4176.4-64.1-172.3158.600112.7R99 I103R99-E101 PolarHBondContact O-N 3.36Å; E101-I103 PolarHBondContact O-N 3.14Å
102A50.8Low57.1Low59 Ų59125.3 Ų125.349%0.48867%0.671SS.*G310 helixtrans-72.8-7.4-176.400000114.7D100 Q104 T105D100-A102 PolarHBondContact O-N 3.15Å; A102-Q104 VanDerWaalsContact C-N 3.28Å; A102-Q104 PolarHBondContact O-N 3.1Å; A102-T105 PolarHBondContact O-OG1 3.04Å
103I49.9Very low59.9Low131 Ų131123.9 Ų123.967%0.67265%0.653SS**G310 helixtrans-74.2-14.1-171.7-56.8174.3000112.9E101 T105 D106E101-I103 PolarHBondContact O-N 3.14Å; I103-T105 PolarHBondContact O-N 2.83Å; I103-D106 WeakPolarHBondContact CA-OD2 3.24Å
104Q53.2Low62.5Low195 Ų195122.9 Ų122.991%0.91164%0.638SS**G310 helixtrans-77.6-16.7179.1-83.8-172.8-0.400114.9A102A102-Q104 VanDerWaalsContact C-N 3.28Å; A102-Q104 PolarHBondContact O-N 3.1Å
105T57.7Low65.2Low102 Ų102119.6 Ų119.663%0.62662%0.619SS**G310 helixtrans-97.20.4178.144.90000114.1A102 I103 G107 H109A102-T105 PolarHBondContact O-OG1 3.04Å; I103-T105 PolarHBondContact O-N 2.83Å; T105-G107 VanDerWaalsContact C-N 3.31Å; T105-G107 PolarHBondContact O-N 2.89Å; T105-H109 PolarHBondContact O-N 3.02Å
106D68.2Low68.2Low73 Ų73114.7 Ų114.739%0.3959%0.593SS.*Hα-helixtrans-65.4-28.2-170.1-74.1-11.3000113.9I103 K110I103-D106 WeakPolarHBondContact CA-OD2 3.24Å; D106-K110 WeakPolarHBondContact O-CB 3.37Å; D106-K110 PolarHBondContact O-N 2.74Å
107G80.8Confident70.9Confident60 Ų60112.6 Ų112.662%0.61958%0.58SS**Hα-helixtrans-62.3-48.7-178.200000113.1T105 A111T105-G107 VanDerWaalsContact C-N 3.31Å; T105-G107 PolarHBondContact O-N 2.89Å; G107-A111 WeakPolarHBondContact O-CB 3.17Å; G107-A111 PolarHBondContact O-N 2.98Å; G107-A111 VanDerWaalsContact O-N 3.12Å
108A85.6Confident73.6Confident80 Ų80113.6 Ų113.666%0.66157%0.57SS**Hα-helixtrans-73.7-38.817900000111.8A111 L112A108-A111 PolarHBondContact O-N 3.45Å; A108-L112 WeakPolarHBondContact O-CB 3.45Å; A108-L112 PolarHBondContact O-N 2.99Å
109H84.5Confident76.6Confident105 Ų105107.6 Ų107.649%0.48655%0.551SS.*Hα-helixtrans-63.8-44.9177.2-169-96000111.5T105 L112 E113T105-H109 PolarHBondContact O-N 3.02Å; H109-L112 WeakPolarHBondContact O-CB 3.39Å; H109-L112 PolarHBondContact O-N 2.9Å; H109-E113 IonicContact CE1-OE1 3.09Å; H109-E113 PolarHBondContact CE1-OE1 3.46Å; H109-E113 IonicContact ND1-OE1 3.25Å; H109-E113 PolarHBondContact ND1-OE1 3.03Å; H109-E113 WeakPolarHBondContact O-CG 3.48Å; H109-E113 PolarHBondContact O-N 3.24Å
110K91.4Very high79.3Confident121 Ų121105.1 Ų105.153%0.52654%0.541SS..Hα-helixtrans-63.8-41.5176.5-173.8178.2178-176.80112.2D106 L112 E113 E114D106-K110 WeakPolarHBondContact O-CB 3.37Å; D106-K110 PolarHBondContact O-N 2.74Å; K110-L112 VanDerWaalsContact C-N 3.33Å; K110-L112 PolarHBondContact O-N 3.17Å; K110-E113 PolarHBondContact O-N 3.36Å; K110-E114 VanDerWaalsContact CE-OE1 3.29Å; K110-E114 WeakPolarHBondContact CE-OE1 3.49Å; K110-E114 WeakPolarHBondContact O-CB 3.44Å; K110-E114 WeakPolarHBondContact O-CG 3.37Å; K110-E114 PolarHBondContact O-N 2.89Å
111A91.3Very high81.8Confident55 Ų55103.9 Ų103.946%0.45554%0.538SS..Hα-helixtrans-61.7-41.2174.200000111.9G107 A108 E114 E115G107-A111 WeakPolarHBondContact O-CB 3.17Å; G107-A111 PolarHBondContact O-N 2.98Å; G107-A111 VanDerWaalsContact O-N 3.12Å; A108-A111 PolarHBondContact O-N 3.45Å; A111-E114 PolarHBondContact O-N 3.32Å; A111-E115 PolarHBondContact O-N 3.48Å
112L94.6Very high84.2Confident103 Ų10398.8 Ų98.854%0.53951%0.514SS..Hα-helixtrans-63.9-43.9174.7-174.677.3000111.6A108 H109 K110 E114 E115 I116A108-L112 WeakPolarHBondContact O-CB 3.45Å; A108-L112 PolarHBondContact O-N 2.99Å; H109-L112 WeakPolarHBondContact O-CB 3.39Å; H109-L112 PolarHBondContact O-N 2.9Å; K110-L112 VanDerWaalsContact C-N 3.33Å; K110-L112 PolarHBondContact O-N 3.17Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-E114 PolarHBondContact O-N 3.23Å; L112-E115 PolarHBondContact O-N 3.21Å; L112-I116 HydrophobicContact CD2-CD1 4.41Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 VanDerWaalsContact O-CG1 3.27Å; L112-I116 WeakPolarHBondContact O-CG1 3.48Å; L112-I116 PolarHBondContact O-N 2.93Å
113E93.8Very high86.4Confident75 Ų75100 Ų10035%0.3551%0.511SS..Hα-helixtrans-63.6-38.4176.7-75.5-178.4-170.300113.1H109 K110 I116 R117H109-E113 IonicContact CE1-OE1 3.09Å; H109-E113 PolarHBondContact CE1-OE1 3.46Å; H109-E113 IonicContact ND1-OE1 3.25Å; H109-E113 PolarHBondContact ND1-OE1 3.03Å; H109-E113 WeakPolarHBondContact O-CG 3.48Å; H109-E113 PolarHBondContact O-N 3.24Å; K110-E113 PolarHBondContact O-N 3.36Å; E113-I116 PolarHBondContact O-N 2.73Å; E113-R117 WeakPolarHBondContact O-CB 3.45Å; E113-R117 WeakPolarHBondContact O-CG 3.41Å; E113-R117 PolarHBondContact O-N 3.13Å; E113-R117 PolarHBondContact O-NE 3.48Å; E113-R117 IonicContact OE2-NH2 3.99Å; E113-R117 PolarHBondContact OE2-NH2 3.21Å
114E94.4Very high88.7Confident102 Ų10299.4 Ų99.448%0.47751%0.506SS..Hα-helixtrans-64.9-41.4174.6-75.3174.8-169.200110.8K110 A111 L112 R117 R118K110-E114 VanDerWaalsContact CE-OE1 3.29Å; K110-E114 WeakPolarHBondContact CE-OE1 3.49Å; K110-E114 WeakPolarHBondContact O-CB 3.44Å; K110-E114 WeakPolarHBondContact O-CG 3.37Å; K110-E114 PolarHBondContact O-N 2.89Å; A111-E114 PolarHBondContact O-N 3.32Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-E114 PolarHBondContact O-N 3.23Å; E114-R117 WeakPolarHBondContact O-CB 3.37Å; E114-R117 PolarHBondContact O-N 2.99Å; E114-R118 WeakPolarHBondContact O-CB 3.13Å; E114-R118 PolarHBondContact O-N 2.88Å
115E95.6Very high90.7Very high81 Ų8193.6 Ų93.638%0.37948%0.481SS..Hα-helixtrans-66.2-41.5175-17158.1-15200111.9A111 L112 R117 R118 I119A111-E115 PolarHBondContact O-N 3.48Å; L112-E115 PolarHBondContact O-N 3.21Å; E115-R117 VanDerWaalsContact C-N 3.29Å; E115-R117 PolarHBondContact O-N 3.15Å; E115-R118 WeakPolarHBondContact O-CB 3.3Å; E115-R118 PolarHBondContact O-N 2.82Å; E115-R118 IonicContact OE1-CZ 2.92Å; E115-R118 IonicContact OE1-NH1 3.7Å; E115-R118 PolarHBondContact OE1-NH1 3.05Å; E115-I119 HydrophobicContact CG-CD1 4Å; E115-I119 VanDerWaalsContact O-CG1 3.3Å; E115-I119 WeakPolarHBondContact O-CG1 3.37Å; E115-I119 PolarHBondContact O-N 2.96Å
116I95.7Very high92.6Very high69 Ų6996.7 Ų96.735%0.35448%0.481SS..Hα-helixtrans-61.2-40.3174.5-69.8166.5000110.6L112 E113 I119 R120L112-I116 HydrophobicContact CD2-CD1 4.41Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 VanDerWaalsContact O-CG1 3.27Å; L112-I116 WeakPolarHBondContact O-CG1 3.48Å; L112-I116 PolarHBondContact O-N 2.93Å; E113-I116 PolarHBondContact O-N 2.73Å; I116-I119 PolarHBondContact O-N 3.16Å; I116-R120 VanDerWaalsContact O-CG 3.3Å; I116-R120 WeakPolarHBondContact O-CG 3.17Å; I116-R120 PolarHBondContact O-N 3.07Å
117R96.2Very high93.9Very high137 Ų13799.3 Ų99.352%0.51749%0.489SS..Hα-helixtrans-64.7-42.8174.7-79.3-177.3-103.1-168.8-9.8112E113 E114 E115 R120 T121E113-R117 WeakPolarHBondContact O-CB 3.45Å; E113-R117 WeakPolarHBondContact O-CG 3.41Å; E113-R117 PolarHBondContact O-N 3.13Å; E113-R117 PolarHBondContact O-NE 3.48Å; E113-R117 IonicContact OE2-NH2 3.99Å; E113-R117 PolarHBondContact OE2-NH2 3.21Å; E114-R117 WeakPolarHBondContact O-CB 3.37Å; E114-R117 PolarHBondContact O-N 2.99Å; E115-R117 VanDerWaalsContact C-N 3.29Å; E115-R117 PolarHBondContact O-N 3.15Å; R117-R120 PolarHBondContact O-N 3.27Å; R117-T121 WeakPolarHBondContact O-CG2 3.24Å; R117-T121 PolarHBondContact O-N 3.35Å; R117-T121 VanDerWaalsContact O-N 3.12Å; R117-T121 PolarHBondContact O-OG1 3.07Å
118R97Very high94.6Very high129 Ų129103.6 Ų103.649%0.48749%0.486SS..Hα-helixtrans-58.8-48.2174.2-179.6-173.5167.7-79-24.6111.5E114 E115 R120 T121 E122E114-R118 WeakPolarHBondContact O-CB 3.13Å; E114-R118 PolarHBondContact O-N 2.88Å; E115-R118 WeakPolarHBondContact O-CB 3.3Å; E115-R118 PolarHBondContact O-N 2.82Å; E115-R118 IonicContact OE1-CZ 2.92Å; E115-R118 IonicContact OE1-NH1 3.7Å; E115-R118 PolarHBondContact OE1-NH1 3.05Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 2.78Å; R118-T121 PolarHBondContact O-N 3.34Å; R118-T121 PolarHBondContact O-OG1 2.88Å; R118-E122 IonicContact CZ-OE2 3.61Å; R118-E122 IonicContact NH1-OE2 2.68Å; R118-E122 IonicContact NH2-OE2 2.97Å; R118-E122 PolarHBondContact NH2-OE2 3.36Å; R118-E122 WeakPolarHBondContact O-CB 3.36Å; R118-E122 PolarHBondContact O-N 3.29Å
119I97.3Very high95.1Very high76 Ų76105.3 Ų105.339%0.3948%0.483SS..Hα-helixtrans-62.6-41.2179.4-68.2166.3000111E115 I116 E122 I123E115-I119 HydrophobicContact CG-CD1 4Å; E115-I119 VanDerWaalsContact O-CG1 3.3Å; E115-I119 WeakPolarHBondContact O-CG1 3.37Å; E115-I119 PolarHBondContact O-N 2.96Å; I116-I119 PolarHBondContact O-N 3.16Å; I119-E122 PolarHBondContact O-N 3.08Å; I119-I123 HydrophobicContact CG2-CD1 3.73Å; I119-I123 HydrophobicContact CG2-CG1 4.37Å; I119-I123 WeakPolarHBondContact O-CB 3.25Å; I119-I123 VanDerWaalsContact O-CG1 3.27Å; I119-I123 WeakPolarHBondContact O-CG1 3.27Å; I119-I123 PolarHBondContact O-N 2.93Å
120R96.6Very high95.5Very high163 Ų163104.7 Ų104.762%0.61548%0.483SS*.Hα-helixtrans-61.3-46.3177.6-75.5174.6-176.7179.43.3112.2I116 R117 R118 I123 E124I116-R120 VanDerWaalsContact O-CG 3.3Å; I116-R120 WeakPolarHBondContact O-CG 3.17Å; I116-R120 PolarHBondContact O-N 3.07Å; R117-R120 PolarHBondContact O-N 3.27Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 2.78Å; R120-I123 PolarHBondContact O-N 2.93Å; R120-E124 WeakPolarHBondContact O-CG 3.38Å; R120-E124 PolarHBondContact O-N 2.86Å
121T96.6Very high95.6Very high75 Ų75105.8 Ų105.846%0.4648%0.484SS..Hα-helixtrans-68.3-36.2178.558.90000112.1R117 R118 E124 N125R117-T121 WeakPolarHBondContact O-CG2 3.24Å; R117-T121 PolarHBondContact O-N 3.35Å; R117-T121 VanDerWaalsContact O-N 3.12Å; R117-T121 PolarHBondContact O-OG1 3.07Å; R118-T121 PolarHBondContact O-N 3.34Å; R118-T121 PolarHBondContact O-OG1 2.88Å; T121-E124 PolarHBondContact O-N 2.95Å; T121-N125 WeakPolarHBondContact O-CB 3.48Å; T121-N125 VanDerWaalsContact O-CG 3.28Å; T121-N125 PolarHBondContact O-N 2.94Å; T121-N125 PolarHBondContact O-ND2 3.17Å
122E97.8Very high95.6Very high83 Ų83105.9 Ų105.939%0.38848%0.484SS..Hα-helixtrans-61.3-45.3173.1-172.2176.3157.700111.7R118 I119 N125 R126R118-E122 IonicContact CZ-OE2 3.61Å; R118-E122 IonicContact NH1-OE2 2.68Å; R118-E122 IonicContact NH2-OE2 2.97Å; R118-E122 PolarHBondContact NH2-OE2 3.36Å; R118-E122 WeakPolarHBondContact O-CB 3.36Å; R118-E122 PolarHBondContact O-N 3.29Å; I119-E122 PolarHBondContact O-N 3.08Å; E122-N125 PolarHBondContact O-N 2.89Å; E122-R126 WeakPolarHBondContact O-CB 3.44Å; E122-R126 PolarHBondContact O-N 2.81Å
123I97.3Very high95.4Very high84 Ų84108.4 Ų108.443%0.43149%0.487SS..Hα-helixtrans-63.2-44176.5-70.3168.3000111.1I119 R120 N125 R126 K127I119-I123 HydrophobicContact CG2-CD1 3.73Å; I119-I123 HydrophobicContact CG2-CG1 4.37Å; I119-I123 WeakPolarHBondContact O-CB 3.25Å; I119-I123 VanDerWaalsContact O-CG1 3.27Å; I119-I123 WeakPolarHBondContact O-CG1 3.27Å; I119-I123 PolarHBondContact O-N 2.93Å; R120-I123 PolarHBondContact O-N 2.93Å; I123-N125 PolarHBondContact O-N 2.85Å; I123-R126 PolarHBondContact O-N 3.23Å; I123-K127 HydrophobicContact CG2-CD 4.26Å; I123-K127 WeakPolarHBondContact O-CG 3.31Å; I123-K127 PolarHBondContact O-N 3.46Å
124E96.5Very high95.1Very high120 Ų120110.6 Ų110.656%0.56150%0.497SS*.Hα-helixtrans-63.2-40.4177.3-76.8-179.2177.100112.5R120 T121 K127 R128R120-E124 WeakPolarHBondContact O-CG 3.38Å; R120-E124 PolarHBondContact O-N 2.86Å; T121-E124 PolarHBondContact O-N 2.95Å; E124-K127 PolarHBondContact O-N 3.03Å; E124-R128 WeakPolarHBondContact O-CG 3.33Å; E124-R128 PolarHBondContact O-N 3.38Å
125N96.8Very high94.8Very high72 Ų72111.3 Ų111.339%0.38550%0.5SS..Hα-helixtrans-62-44.9173-74.8-17000111.5T121 E122 I123 K127 R128 I129T121-N125 WeakPolarHBondContact O-CB 3.48Å; T121-N125 VanDerWaalsContact O-CG 3.28Å; T121-N125 PolarHBondContact O-N 2.94Å; T121-N125 PolarHBondContact O-ND2 3.17Å; E122-N125 PolarHBondContact O-N 2.89Å; I123-N125 PolarHBondContact O-N 2.85Å; N125-K127 VanDerWaalsContact C-N 3.34Å; N125-K127 PolarHBondContact O-N 2.95Å; N125-R128 PolarHBondContact O-N 3.17Å; N125-R128 PolarHBondContact OD1-NH2 2.95Å; N125-I129 WeakPolarHBondContact O-CG1 3.48Å; N125-I129 PolarHBondContact O-N 3.21Å
126R96.2Very high94.3Very high168 Ų168110.3 Ų110.363%0.63451%0.506SS*.Hα-helixtrans-63.7-39.9178.6-153.3168.1-172.9152.4-1.9111.7E122 I123 I129 L130E122-R126 WeakPolarHBondContact O-CB 3.44Å; E122-R126 PolarHBondContact O-N 2.81Å; I123-R126 PolarHBondContact O-N 3.23Å; R126-I129 PolarHBondContact O-N 3.39Å; R126-L130 WeakPolarHBondContact O-CB 3.4Å; R126-L130 VanDerWaalsContact O-CG 3.31Å; R126-L130 WeakPolarHBondContact O-CG 3.39Å; R126-L130 PolarHBondContact O-N 3.18Å
127K96.3Very high93.7Very high127 Ų127112.5 Ų112.555%0.55251%0.513SS*.Hα-helixtrans-62.1-40.8172.7-74.8179.1178.8-177.70112.3I123 E124 N125 L130 R131I123-K127 HydrophobicContact CG2-CD 4.26Å; I123-K127 WeakPolarHBondContact O-CG 3.31Å; I123-K127 PolarHBondContact O-N 3.46Å; E124-K127 PolarHBondContact O-N 3.03Å; N125-K127 VanDerWaalsContact C-N 3.34Å; N125-K127 PolarHBondContact O-N 2.95Å; K127-L130 PolarHBondContact O-N 3.14Å; K127-R131 PolarHBondContact O-N 2.86Å
128R94.8Very high92.8Very high151 Ų151111.7 Ų111.757%0.5752%0.515SS*.Hα-helixtrans-63.2-45.2175-75.9-168.7-77.5178.4-6.1112.4E124 N125 L130 R131 A132E124-R128 WeakPolarHBondContact O-CG 3.33Å; E124-R128 PolarHBondContact O-N 3.38Å; N125-R128 PolarHBondContact O-N 3.17Å; N125-R128 PolarHBondContact OD1-NH2 2.95Å; R128-L130 VanDerWaalsContact C-N 3.33Å; R128-L130 PolarHBondContact O-N 3.02Å; R128-R131 PolarHBondContact O-N 3.36Å; R128-A132 PolarHBondContact O-N 2.74Å
129I95.6Very high91.7Very high116 Ų116110.6 Ų110.660%0.59552%0.519SS*.Hα-helixtrans-62.5-41.3177.3-66165.8000111N125 R126 R133N125-I129 WeakPolarHBondContact O-CG1 3.48Å; N125-I129 PolarHBondContact O-N 3.21Å; R126-I129 PolarHBondContact O-N 3.39Å; I129-R133 WeakPolarHBondContact O-CB 3.39Å; I129-R133 PolarHBondContact O-N 2.74Å
130L93.3Very high90.6Very high91 Ų91114.9 Ų114.948%0.47653%0.534SS..Hα-helixtrans-64.8-45.4178.2-74.2176.2000112.2R126 K127 R128 R133 E134R126-L130 WeakPolarHBondContact O-CB 3.4Å; R126-L130 VanDerWaalsContact O-CG 3.31Å; R126-L130 WeakPolarHBondContact O-CG 3.39Å; R126-L130 PolarHBondContact O-N 3.18Å; K127-L130 PolarHBondContact O-N 3.14Å; R128-L130 VanDerWaalsContact C-N 3.33Å; R128-L130 PolarHBondContact O-N 3.02Å; L130-R133 WeakPolarHBondContact O-CB 3.49Å; L130-R133 PolarHBondContact O-N 2.84Å; L130-R133 VanDerWaalsContact O-N 3.16Å; L130-E134 WeakPolarHBondContact O-CG 3.42Å; L130-E134 PolarHBondContact O-N 3.45Å
131R93.1Very high89Confident145 Ų145114 Ų11455%0.54754%0.535SS..Hα-helixtrans-60.2-46.8174.9-75.5-170.6-68.9-148.41.1112.3K127 R128 R133 E134 E135K127-R131 PolarHBondContact O-N 2.86Å; R128-R131 PolarHBondContact O-N 3.36Å; R131-R133 PolarHBondContact O-N 3.26Å; R131-E134 PolarHBondContact O-N 3.46Å; R131-E134 VanDerWaalsContact O-N 3.08Å; R131-E135 WeakPolarHBondContact O-CG 3.28Å; R131-E135 PolarHBondContact O-N 2.8Å
132A91.8Very high87.1Confident56 Ų56116.2 Ų116.246%0.46354%0.54SS..Hα-helixtrans-60.7-34.3176.100000112.5R128 A136R128-A132 PolarHBondContact O-N 2.74Å; A132-A136 WeakPolarHBondContact O-CB 3.45Å; A132-A136 PolarHBondContact O-N 2.87Å
133R91.5Very high85.2Confident157 Ų157116.6 Ų116.659%0.59255%0.548SS*.Hα-helixtrans-72.8-34.6175.1-171.9179.2-178-173.10.7112.4I129 L130 R131 K137I129-R133 WeakPolarHBondContact O-CB 3.39Å; I129-R133 PolarHBondContact O-N 2.74Å; L130-R133 WeakPolarHBondContact O-CB 3.49Å; L130-R133 PolarHBondContact O-N 2.84Å; L130-R133 VanDerWaalsContact O-N 3.16Å; R131-R133 PolarHBondContact O-N 3.26Å; R133-K137 VanDerWaalsContact O-CG 3.31Å; R133-K137 WeakPolarHBondContact O-CG 3.42Å; R133-K137 PolarHBondContact O-N 2.91Å
134E87.5Confident83.2Confident120 Ų120119.7 Ų119.756%0.56156%0.558SS**Hα-helixtrans-67-48.6173.7-76.7178.2163.700110.9L130 R131 A136 K137 E138L130-E134 WeakPolarHBondContact O-CG 3.42Å; L130-E134 PolarHBondContact O-N 3.45Å; R131-E134 PolarHBondContact O-N 3.46Å; R131-E134 VanDerWaalsContact O-N 3.08Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.33Å; E134-K137 WeakPolarHBondContact O-CA 3.19Å; E134-K137 WeakPolarHBondContact O-CB 3.04Å; E134-K137 PolarHBondContact O-N 2.8Å; E134-E138 PolarHBondContact O-N 3.47Å
135E87Confident81.4Confident118 Ų118118.1 Ų118.155%0.55155%0.552SS**Hα-helixtrans-57.7-41.9175.2-69.8168.3-165.300111.7R131 K137 E138 N139R131-E135 WeakPolarHBondContact O-CG 3.28Å; R131-E135 PolarHBondContact O-N 2.8Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 2.97Å; E135-E138 PolarHBondContact O-N 2.97Å; E135-N139 VanDerWaalsContact O-CG 3.31Å; E135-N139 PolarHBondContact O-N 2.99Å; E135-N139 PolarHBondContact O-ND2 2.8Å
136A84.6Confident79.2Confident59 Ų59121.7 Ų121.749%0.48857%0.567SS.*Hα-helixtrans-64.8-31175.200000113.5A132 E134 K140A132-A136 WeakPolarHBondContact O-CB 3.45Å; A132-A136 PolarHBondContact O-N 2.87Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.33Å; A136-K140 PolarHBondContact O-N 2.8Å
137K82.8Confident77.3Confident116 Ų116119.7 Ų119.750%0.50457%0.569SS.*Hα-helixtrans-75.2-37.8175.3-75.3173.1179.3-1780111.7R133 E134 E135 K140 K141R133-K137 VanDerWaalsContact O-CG 3.31Å; R133-K137 WeakPolarHBondContact O-CG 3.42Å; R133-K137 PolarHBondContact O-N 2.91Å; E134-K137 WeakPolarHBondContact O-CA 3.19Å; E134-K137 WeakPolarHBondContact O-CB 3.04Å; E134-K137 PolarHBondContact O-N 2.8Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 2.97Å; K137-K140 PolarHBondContact O-N 2.94Å; K137-K141 PolarHBondContact O-N 3.17Å; K137-K141 VanDerWaalsContact O-N 3.09Å
138E77.6Confident75.1Confident119 Ų119120.4 Ų120.456%0.55657%0.574SS**Hα-helixtrans-65.3-46176.3-71.6-173.1168.500111.3E134 E135 K140 K141 H142E134-E138 PolarHBondContact O-N 3.47Å; E135-E138 PolarHBondContact O-N 2.97Å; E138-K140 PolarHBondContact O-N 3.18Å; E138-K141 WeakPolarHBondContact O-CB 3.48Å; E138-K141 PolarHBondContact O-N 2.9Å; E138-H142 PolarHBondContact O-CD2 3.35Å; E138-H142 VanDerWaalsContact O-CD2 3.24Å; E138-H142 PolarHBondContact O-N 3.09Å
139N73.9Confident73Confident107 Ų107119.6 Ų119.657%0.57258%0.58SS**Hα-helixtrans-57.9-37.2174.4-68.7-23.5000112E135 H142 V143E135-N139 VanDerWaalsContact O-CG 3.31Å; E135-N139 PolarHBondContact O-N 2.99Å; E135-N139 PolarHBondContact O-ND2 2.8Å; N139-H142 PolarHBondContact O-N 2.93Å; N139-V143 WeakPolarHBondContact O-CG2 3.46Å; N139-V143 PolarHBondContact O-N 3.06Å; N139-V143 VanDerWaalsContact O-N 3.16Å
140K74.3Confident70.5Confident165 Ų165122.9 Ų122.972%0.71759%0.59SS**Hα-helixtrans-70.6-28.8176-163.9172.2-175.5176.80113.4A136 K137 E138 K144A136-K140 PolarHBondContact O-N 2.8Å; K137-K140 PolarHBondContact O-N 2.94Å; E138-K140 PolarHBondContact O-N 3.18Å; K140-K144 PolarHBondContact O-N 3.34Å
141K64.2Low68Low145 Ų145127.4 Ų127.463%0.6361%0.608SS**Hα-helixtrans-73.1-41.2173.3-74.2-178.2179.2-178.40111.4K137 E138 V143 K144 I145K137-K141 PolarHBondContact O-N 3.17Å; K137-K141 VanDerWaalsContact O-N 3.09Å; E138-K141 WeakPolarHBondContact O-CB 3.48Å; E138-K141 PolarHBondContact O-N 2.9Å; K141-V143 PolarHBondContact O-N 3.17Å; K141-K144 WeakPolarHBondContact O-CA 3.4Å; K141-K144 WeakPolarHBondContact O-CB 3.41Å; K141-K144 PolarHBondContact O-N 3.37Å; K141-I145 WeakPolarHBondContact O-CG1 3.45Å; K141-I145 PolarHBondContact O-N 3.21Å
142H55.7Low64.9Low122 Ų122129.8 Ų129.857%0.56562%0.623SS**Hα-helixtrans-62.9-40176.8-75.1-67.5000112.4E138 N139 K144 I145 E146E138-H142 PolarHBondContact O-CD2 3.35Å; E138-H142 VanDerWaalsContact O-CD2 3.24Å; E138-H142 PolarHBondContact O-N 3.09Å; N139-H142 PolarHBondContact O-N 2.93Å; H142-K144 PolarHBondContact O-N 3.34Å; H142-I145 PolarHBondContact O-N 2.81Å; H142-E146 PolarHBondContact O-N 2.75Å
143V58.4Low62.7Low91 Ų91132.1 Ų132.155%0.55263%0.633SS**Hα-helixtrans-62.6-27.7172.5174.80000112.5N139 K141 N147N139-V143 WeakPolarHBondContact O-CG2 3.46Å; N139-V143 PolarHBondContact O-N 3.06Å; N139-V143 VanDerWaalsContact O-N 3.16Å; K141-V143 PolarHBondContact O-N 3.17Å; V143-N147 PolarHBondContact O-ND2 3.41Å; V143-N147 VanDerWaalsContact O-ND2 3.11Å
144K56Low59.9Low149 Ų149133.8 Ų133.865%0.64865%0.647SS**Hα-helixtrans-77.1-40.7175.5-115-178.3177.9-166.60112.4K140 K141 H142 N147 E148K140-K144 PolarHBondContact O-N 3.34Å; K141-K144 WeakPolarHBondContact O-CA 3.4Å; K141-K144 WeakPolarHBondContact O-CB 3.41Å; K141-K144 PolarHBondContact O-N 3.37Å; H142-K144 PolarHBondContact O-N 3.34Å; K144-N147 PolarHBondContact O-N 3.47Å; K144-E148 PolarHBondContact O-N 2.83Å
145I56.9Low57Low86 Ų86133.3 Ų133.344%0.44165%0.653SS.*Hα-helixtrans-71.4-35.1-177.9-64.2163.1000111.1K141 H142 N147 E148 I149K141-I145 WeakPolarHBondContact O-CG1 3.45Å; K141-I145 PolarHBondContact O-N 3.21Å; H142-I145 PolarHBondContact O-N 2.81Å; I145-N147 PolarHBondContact O-N 3.08Å; I145-E148 PolarHBondContact O-N 3.09Å; I145-E148 VanDerWaalsContact O-N 3.12Å; I145-I149 HydrophobicContact CG2-CD1 3.9Å; I145-I149 HydrophobicContact CG2-CG1 4.46Å; I145-I149 WeakPolarHBondContact O-CG1 3.49Å; I145-I149 PolarHBondContact O-N 2.97Å
146E51.5Low54.4Low148 Ų148137.2 Ų137.269%0.69267%0.668SS**Hα-helixtrans-66.4-25.6177.5-149.7172.6-158.800112.6H142H142-E146 PolarHBondContact O-N 2.75Å
147N55.7Low51.7Low126 Ų126141.1 Ų141.167%0.67469%0.686SS**Hα-helixtrans-79.5-24.4173.7-71.5-30.4000113.4V143 K144 I145V143-N147 PolarHBondContact O-ND2 3.41Å; V143-N147 VanDerWaalsContact O-ND2 3.11Å; K144-N147 PolarHBondContact O-N 3.47Å; I145-N147 PolarHBondContact O-N 3.08Å
148E50.3Low49.9Very low142 Ų142141 Ų14166%0.66470%0.697SS**Hα-helixtrans-86.7-21.3-178-75179.1-177.200113.5K144 I145 K150K144-E148 PolarHBondContact O-N 2.83Å; I145-E148 PolarHBondContact O-N 3.09Å; I145-E148 VanDerWaalsContact O-N 3.12Å; E148-K150 PolarHBondContact O-N 3.29Å; E148-K150 VanDerWaalsContact O-N 3.1Å
149I51.4Low47.6Very low133 Ų133144.8 Ų144.868%0.68271%0.712SS**THydrogen-bonded Turntrans-72.3-3.6-177.9-67.2164.8000113.3I145I145-I149 HydrophobicContact CG2-CD1 3.9Å; I145-I149 HydrophobicContact CG2-CG1 4.46Å; I145-I149 WeakPolarHBondContact O-CG1 3.49Å; I145-I149 PolarHBondContact O-N 2.97Å
150K42.7Very low46.2Very low186 Ų186144.8 Ų144.881%0.80972%0.717SS**THydrogen-bonded Turntrans-90.110.2178.6-72.3-167.1179.8-177.60116.1E148E148-K150 PolarHBondContact O-N 3.29Å; E148-K150 VanDerWaalsContact O-N 3.1Å
151Q40.6Very low44.2Very low185 Ų185143.6 Ų143.686%0.86472%0.718SS**  trans-127.2118.7173.8-65.7-170.98.400112.3
152K28.9Very low42.6Very low195 Ų195144.8 Ų144.885%0.84873%0.725SS**  trans-133.7171-172.2-131.5-168-170.2-1770107.4
153P46.3Very low41.5Very low106 Ų106145 Ų14569%0.68874%0.74SS**  -117.5155-96.236.9-23.1000112.5
154H30.8Very low40.4Very low191 Ų191146.3 Ų146.388%0.88474%0.744SS**  trans-130.6139.3167.2-86.3-68.6000113.3
155T27.5Very low39.4Very low110 Ų110148.5 Ų148.568%0.67575%0.75SS**  trans-66.1149.3-179.248.30000115.5
156K32.3Very low38.4Very low200 Ų200149.7 Ų149.787%0.8777%0.766SS**  146.1141.7123.9-76.3179.5-172.5178.80112.9
157T28Very low37.7Very low142 Ų142150.9 Ų150.987%0.87177%0.773SS**  trans-88.1170.2-169.729.30000114.5
158P45.5Very low37Very low113 Ų113150.4 Ų150.473%0.73478%0.775SS**  trans-118.9168.5-13942.8-34.1000116.5
159K28.7Very low36.4Very low199 Ų199150.6 Ų150.687%0.86579%0.786SS**  trans156.8159.6146.8-94.5175-177.4-179.50110.8
160P45.5Very low35.9Very low107 Ų107153.7 Ų153.770%0.69579%0.789SS**  -120-169.6-56.532.3-12.8000109.4
161I31.5Very low35.6Very low140 Ų140148.9 Ų148.972%0.71878%0.784SS**  trans107.1117.4166.5-58.9153.5000115.2
162E29.6Very low35.6Very low170 Ų170146.4 Ų146.479%0.79478%0.784SS**  trans46.899.2148.6-66164.3168.400119
163S33.1Very low36.5Very low126 Ų126143.5 Ų143.588%0.88178%0.778SS**  trans-98.3103.7156.567.30000109.7
164D35.5Very low36Very low119 Ų119142.8 Ų142.864%0.63678%0.78SS**  trans-59.6130.9170.9-82.4-31.7000113.7
165Y35.2Very low36.9Very low195 Ų195139.4 Ų139.477%0.76578%0.775SS**  trans38.894150.2-48.5-75.1000119.7
166S36.4Very low37.4Very low110 Ų110144.7 Ų144.777%0.76978%0.783SS**  trans-87.5104.2138.576.30000108.5V168S166-V168 PolarHBondContact O-N 3.03Å
167M37.4Very low37.8Very low174 Ų174143.8 Ų143.886%0.85778%0.782SS**  trans-66103.3172.1-79.8-157.6172.200110
168V40.9Very low38.4Very low116 Ų116145.4 Ų145.470%0.70378%0.779SS**  trans-104.7106.2162.6177.40000106.9S166 R170S166-V168 PolarHBondContact O-N 3.03Å; V168-R170 PolarHBondContact O-N 3Å
169T36.1Very low38Very low145 Ų145149.2 Ų149.289%0.8978%0.784SS**  trans-61.9102170.3-440000108.5
170R41Very low38.1Very low199 Ų199144.4 Ų144.475%0.75178%0.776SS**PPolyproline II helixtrans-102.7123.2176.2-142.6-176.1-168.5-128.53108.8V168 D173V168-R170 PolarHBondContact O-N 3Å; R170-D173 IonicContact NH1-OD2 3.3Å; R170-D173 PolarHBondContact NH1-OD2 2.87Å
171A36.7Very low37.8Very low85 Ų85147.4 Ų147.470%0.70279%0.786SS**PPolyproline II helixtrans-64.314717000000110.5
172P40.5Very low37.8Very low132 Ų132150.4 Ų150.486%0.85779%0.794SS**PPolyproline II helixtrans-76.3132.8-162.228.5-33.3000113.3
173D47.7Very low38Very low135 Ų135150.9 Ų150.972%0.72280%0.798SS**PPolyproline II helixtrans-79.7130.9170.3-95.5-41.4000110.2R170R170-D173 IonicContact NH1-OD2 3.3Å; R170-D173 PolarHBondContact NH1-OD2 2.87Å
174A36.4Very low38.1Very low90 Ų90150.6 Ų150.674%0.74479%0.793SS**PPolyproline II helixtrans-71.1150.2176.300000112.3R176A174-R176 PolarHBondContact O-N 3.46Å
175P50.3Low37.9Very low120 Ų120153.3 Ų153.378%0.77981%0.807SS**PPolyproline II helixtrans-84.4116.8-151.1-5.523.7000112.5Q177P175-Q177 PolarHBondContact O-N 3.13Å
176R36.7Very low37.9Very low222 Ų222151.4 Ų151.484%0.83881%0.805SS**  trans-80.6107.5164.9-79-177.2174.4171-0.1109.7A174 H178A174-R176 PolarHBondContact O-N 3.46Å; R176-H178 PolarHBondContact O-N 2.89Å
177Q40.3Very low37.5Very low181 Ų181155 Ų15585%0.84681%0.809SS**  trans-58.895.5168-68.8-97.5-34.200110P175P175-Q177 PolarHBondContact O-N 3.13Å
178H41.1Very low37.4Very low175 Ų175155.9 Ų155.981%0.8181%0.805SS**  trans-78.7122.2166.1-81.9-85.8000109R176R176-H178 PolarHBondContact O-N 2.89Å
179K36.6Very low37.1Very low193 Ų193155.6 Ų155.684%0.83981%0.807SS**  trans-71143-173.3-65.5176.3177.5-179.30111.7
180S31.8Very low36.8Very low99 Ų99156.7 Ų156.769%0.69280%0.803SS**  trans67.1112.115865.50000118.9
181N39Very low36.5Very low169 Ų169153.8 Ų153.890%0.90480%0.802SS**  -145.9134.7102.8-84.6-35000109.7
182K32.4Very low36.5Very low204 Ų204160.6 Ų160.689%0.88781%0.81SS**  trans-76132.3-176.9-63.4171.2176.7179.70110.4
183M33.9Very low36.1Very low179 Ų179164.3 Ų164.388%0.88281%0.812SS**  trans-162.8142.8133.1-109.6-173.367.700110.3
184P34.2Very low35.9Very low120 Ų120165.3 Ų165.378%0.77982%0.817SS**PPolyproline II helixtrans-81.3147.5-153.2-14.532.1000115.5
185L32.2Very low35.7Very low177 Ų177169.9 Ų169.993%0.92782%0.823SS**PPolyproline II helixtrans-58.6125.9174.1-166.375.8000111
186Q35.1Very low35.2Very low154 Ų154169.5 Ų169.572%0.7282%0.82SS**PPolyproline II helixtrans-88.6116.6176-157.6171.21900108.6Y188Q186-Y188 HydrophobicContact CG-CD2 4.21Å; Q186-Y188 HydrophobicContact CG-CE2 3.9Å
187E28.1Very low35.3Very low185 Ų185164.9 Ų164.986%0.86482%0.819SS**PPolyproline II helixtrans-65.2120.6172.9-126.2169.2-171.700109.9
188Y35.4Very low35.3Very low194 Ų194166.1 Ų166.176%0.76182%0.822SS**  trans-137.6104.3160.6-85.6-77.4000110.6Q186Q186-Y188 HydrophobicContact CG-CD2 4.21Å; Q186-Y188 HydrophobicContact CG-CE2 3.9Å
189S32.9Very low35.2Very low109 Ų109162.4 Ų162.476%0.76282%0.821SS**  57.9115.7129.6-166.90000120.8
190E31.4Very low35.3Very low169 Ų169156.8 Ų156.879%0.7981%0.811SS**  trans-35.6139149.3-64.2169.6141.500114.3
191N34.5Very low35.7Very low137 Ų137158.5 Ų158.573%0.73382%0.817SS**  145.693.7128.1-76.4-23.8000113.6
192W36.8Very low35.7Very low229 Ų229160.6 Ų160.687%0.86781%0.813SS**  trans-153.6103.1140.818.6-91.7000110.8
193K31.2Very low36Very low209 Ų209156.3 Ų156.391%0.90981%0.805SS**  trans-58126.2161.8-69.4177.6174.1-175.70109.3
194L42.6Very low36.1Very low157 Ų157153.6 Ų153.682%0.82280%0.802SS**  trans-122.1116.8156-76.7166.6000106.7
195E33.2Very low36.5Very low185 Ų185155.9 Ų155.986%0.86480%0.802SS**PPolyproline II helixtrans-61.6142.3176.7-83.4-150.9151.700111.4
196P39.9Very low37.4Very low113 Ų113156.9 Ų156.973%0.73480%0.799SS**PPolyproline II helixtrans-75131.3-174.827.8-31.8000111.9K198P196-K198 PolarHBondContact O-N 3.07Å
197P38.3Very low38.6Very low125 Ų125154.3 Ų154.381%0.81280%0.798SS**PPolyproline II helixtrans-64.3134.5168.6-15.729.1000110.5A199P197-A199 PolarHBondContact O-N 3.45Å
198K39.8Very low40.4Very low207 Ų207157.1 Ų157.190%0.980%0.801SS**PPolyproline II helixtrans-50.5119.6-179.2-64.1171.1-178.2176.30111.3P196 A200P196-K198 PolarHBondContact O-N 3.07Å; K198-A200 PolarHBondContact O-N 2.96Å; K198-A200 VanDerWaalsContact O-N 3.12Å
199A39.3Very low42.4Very low96 Ų96151.6 Ų151.679%0.79378%0.784SS**  trans-57.3111.3176.400000110.8P197 V201P197-A199 PolarHBondContact O-N 3.45Å; A199-V201 PolarHBondContact O-N 2.99Å
200A39.1Very low44.6Very low75 Ų75149.7 Ų149.762%0.6277%0.771SS**  trans-66.8120.616100000107.4K198 Y202K198-A200 PolarHBondContact O-N 2.96Å; K198-A200 VanDerWaalsContact O-N 3.12Å; A200-Y202 VanDerWaalsContact C-N 3.33Å; A200-Y202 PolarHBondContact O-N 2.92Å
201V41Very low47Very low136 Ų136149.8 Ų149.882%0.82477%0.771SS**  trans-61.692.9177.7178.80000108.4A199 T203A199-V201 PolarHBondContact O-N 2.99Å; V201-T203 PolarHBondContact O-N 3.06Å
202Y37.9Very low49.3Very low212 Ų212151.2 Ų151.283%0.83177%0.768SS**  trans-72.5106.4163.9-82.3-86.3000107.7A200 C204A200-Y202 VanDerWaalsContact C-N 3.33Å; A200-Y202 PolarHBondContact O-N 2.92Å; Y202-C204 PolarHBondContact O-N 3.26Å
203T39.2Very low51.5Low115 Ų115145.4 Ų145.471%0.70675%0.75SS**  trans-57105.5157.949.70000107.6V201 E205V201-T203 PolarHBondContact O-N 3.06Å; T203-E205 VanDerWaalsContact C-N 3.34Å; T203-E205 PolarHBondContact O-N 3.49Å
204C36.4Very low53.7Low122 Ų122138.8 Ų138.882%0.82473%0.73SS**  trans-67.495.9173.1-168.50000107.5Y202 K206Y202-C204 PolarHBondContact O-N 3.26Å; C204-K206 PolarHBondContact O-N 2.97Å
205E42Very low55.5Low167 Ų167135 Ų13578%0.7872%0.721SS**  trans-60.1126.3168.2-69.1-158.5157.300108T203 S207T203-E205 VanDerWaalsContact C-N 3.34Å; T203-E205 PolarHBondContact O-N 3.49Å; E205-S207 PolarHBondContact O-N 3.4Å
206K51.5Low57.8Low198 Ų198133.3 Ų133.386%0.86171%0.711SS**  trans-42.7114.3179.1-67.2166.2-178.2171.90109.1C204 R208C204-K206 PolarHBondContact O-N 2.97Å; K206-R208 PolarHBondContact O-N 3.37Å
207S60.3Low59.8Low101 Ų101132.9 Ų132.971%0.70670%0.698SS**  trans-45.7111.7179.528.40000110.1E205 L209E205-S207 PolarHBondContact O-N 3.4Å; S207-L209 PolarHBondContact O-N 2.92Å
208R65.7Low61.2Low244 Ų244130.5 Ų130.592%0.92169%0.689SS**  trans-60.6102.5168.9-90.1-178.4157.9137.4-5.7106.9K206 S210K206-R208 PolarHBondContact O-N 3.37Å; R208-S210 PolarHBondContact O-N 3Å
209L77.8Confident62.4Low78 Ų78125.7 Ų125.741%0.40868%0.679SS.*  trans-57.6131.5172.9-66.9169.5000108.3S207 Q213 K217S207-L209 PolarHBondContact O-N 2.92Å; L209-Q213 HydrophobicContact CB-CB 4.29Å; L209-Q213 HydrophobicContact CD2-CB 4.3Å; L209-K217 HydrophobicContact CD1-CD 3.7Å
210S78.3Confident63.6Low69 Ų69127.8 Ų127.848%0.48367%0.672SS.*  trans-60151.4171.6177.30000110.1R208 Y212 Q213 S214R208-S210 PolarHBondContact O-N 3Å; S210-Y212 PolarHBondContact O-N 3.35Å; S210-Y212 VanDerWaalsContact O-N 3.15Å; S210-Q213 WeakPolarHBondContact O-CA 3.37Å; S210-Q213 WeakPolarHBondContact O-CB 3.49Å; S210-Q213 PolarHBondContact O-N 3.1Å; S210-S214 PolarHBondContact O-N 3.46Å
211E83.3Confident64.6Low170 Ų170131.6 Ų131.679%0.79468%0.675SS**Hα-helixtrans-53.4-35.6178.4-172.9179.6177.400112.3S214 A215E211-S214 PolarHBondContact O-N 3.44Å; E211-S214 PolarHBondContact O-OG 2.79Å; E211-A215 PolarHBondContact O-N 2.88Å; E211-A215 VanDerWaalsContact O-N 3.14Å
212Y82.5Confident65.3Low168 Ų168132.1 Ų132.166%0.65967%0.673SS**Hα-helixtrans-65.5-42.6173.8-174.3-94.8000112S210 S214 A215 F216S210-Y212 PolarHBondContact O-N 3.35Å; S210-Y212 VanDerWaalsContact O-N 3.15Å; Y212-S214 VanDerWaalsContact C-N 3.32Å; Y212-S214 PolarHBondContact O-N 2.94Å; Y212-A215 PolarHBondContact O-N 3.16Å; Y212-F216 HydrophobicContact CD1-CD2 4.41Å; Y212-F216 HydrophobicContact CD2-CD2 4.33Å; Y212-F216 AromaticContact CD2-CE2 3.99Å; Y212-F216 HydrophobicContact CD2-CE2 3.99Å; Y212-F216 HydrophobicContact CE1-CD2 4.09Å; Y212-F216 HydrophobicContact CE1-CE2 4.34Å; Y212-F216 HydrophobicContact CE2-CD2 4.02Å; Y212-F216 AromaticContact CE2-CE2 3.48Å; Y212-F216 HydrophobicContact CE2-CE2 3.48Å; Y212-F216 VanDerWaalsContact CE2-CE2 3.48Å; Y212-F216 HydrophobicContact CE2-CZ 4.46Å; Y212-F216 AromaticContact CZ-CD2 3.88Å; Y212-F216 AromaticContact CZ-CE2 3.68Å; Y212-F216 WeakPolarHBondContact O-CD2 3.07Å; Y212-F216 PolarHBondContact O-N 2.72Å
213Q81.6Confident65.7Low107 Ų107130.6 Ų130.650%0.567%0.667SS.*Hα-helixtrans-67.6-33.7179-67.7173.3-38.200111.7L209 S210 K217L209-Q213 HydrophobicContact CB-CB 4.29Å; L209-Q213 HydrophobicContact CD2-CB 4.3Å; S210-Q213 WeakPolarHBondContact O-CA 3.37Å; S210-Q213 WeakPolarHBondContact O-CB 3.49Å; S210-Q213 PolarHBondContact O-N 3.1Å; Q213-K217 WeakPolarHBondContact O-CB 3.43Å; Q213-K217 PolarHBondContact O-N 2.94Å; Q213-K217 VanDerWaalsContact O-N 3.09Å
214S78.3Confident65.9Low70 Ų70133.7 Ų133.749%0.4967%0.671SS.*Hα-helixtrans-72.7-33.6177.465.80000112.7S210 E211 Y212 F216S210-S214 PolarHBondContact O-N 3.46Å; E211-S214 PolarHBondContact O-N 3.44Å; E211-S214 PolarHBondContact O-OG 2.79Å; Y212-S214 VanDerWaalsContact C-N 3.32Å; Y212-S214 PolarHBondContact O-N 2.94Å; S214-F216 VanDerWaalsContact C-N 3.28Å; S214-F216 PolarHBondContact O-N 2.68Å
215A81.1Confident66.1Low77 Ų77135.4 Ų135.464%0.63667%0.671SS**Hα-helixtrans-64.9-29.8177.300000113.4E211 Y212E211-A215 PolarHBondContact O-N 2.88Å; E211-A215 VanDerWaalsContact O-N 3.14Å; Y212-A215 PolarHBondContact O-N 3.16Å
216F80.3Confident66.1Low150 Ų150134 Ų13466%0.65866%0.664SS**Hα-helixtrans-109.12.8-178.6-65.8-77.8000114.3Y212 S214 A218Y212-F216 HydrophobicContact CD1-CD2 4.41Å; Y212-F216 HydrophobicContact CD2-CD2 4.33Å; Y212-F216 AromaticContact CD2-CE2 3.99Å; Y212-F216 HydrophobicContact CD2-CE2 3.99Å; Y212-F216 HydrophobicContact CE1-CD2 4.09Å; Y212-F216 HydrophobicContact CE1-CE2 4.34Å; Y212-F216 HydrophobicContact CE2-CD2 4.02Å; Y212-F216 AromaticContact CE2-CE2 3.48Å; Y212-F216 HydrophobicContact CE2-CE2 3.48Å; Y212-F216 VanDerWaalsContact CE2-CE2 3.48Å; Y212-F216 HydrophobicContact CE2-CZ 4.46Å; Y212-F216 AromaticContact CZ-CD2 3.88Å; Y212-F216 AromaticContact CZ-CE2 3.68Å; Y212-F216 WeakPolarHBondContact O-CD2 3.07Å; Y212-F216 PolarHBondContact O-N 2.72Å; S214-F216 VanDerWaalsContact C-N 3.28Å; S214-F216 PolarHBondContact O-N 2.68Å; F216-A218 PolarHBondContact O-N 3.02Å
217K82.6Confident65.8Low104 Ų104129.9 Ų129.945%0.45266%0.658SS.*  trans-69.8116.3176.6-172.9167.5-179.9-179.30109.8L209 Q213L209-K217 HydrophobicContact CD1-CD 3.7Å; Q213-K217 WeakPolarHBondContact O-CB 3.43Å; Q213-K217 PolarHBondContact O-N 2.94Å; Q213-K217 VanDerWaalsContact O-N 3.09Å
218A67.8Low64.8Low75 Ų75131.3 Ų131.362%0.6266%0.662SS**  trans-56.4142.4174.800000110.7F216 Q220F216-A218 PolarHBondContact O-N 3.02Å; A218-Q220 PolarHBondContact O-N 2.94Å
219P64.8Low63.6Low105 Ų105129 Ų12968%0.68266%0.659SS**  trans-53.5115.5177.1-22.931.8000109.6F221P219-F221 PolarHBondContact O-N 3.03Å
220Q65.2Low61.9Low141 Ų141130.3 Ų130.366%0.65968%0.675SS**  trans-70.6102.3171.8-69.4-157.6-20.800107.2A218 N222A218-Q220 PolarHBondContact O-N 2.94Å; Q220-N222 PolarHBondContact O-N 3.2Å
221F59.8Low60.1Low154 Ų154133.3 Ų133.368%0.67569%0.69SS**  trans-63.1104.6167.1-76-86.4000107.1P219 Y223P219-F221 PolarHBondContact O-N 3.03Å; F221-Y223 HydrophobicContact CB-CD2 4.05Å; F221-Y223 HydrophobicContact CB-CE2 3.6Å; F221-Y223 WeakPolarHBondContact O-CD2 3.47Å; F221-Y223 PolarHBondContact O-N 3.06Å
222N54.4Low58.2Low147 Ų147135.3 Ų135.379%0.78669%0.69SS**  trans-66.880.9166.9-73.1-32.6000107.6Q220 K224Q220-N222 PolarHBondContact O-N 3.2Å; N222-K224 PolarHBondContact O-N 3.29Å
223Y47.4Very low56.4Low180 Ų180132.9 Ų132.971%0.70670%0.695SS**  trans-63.499.2159.2-62.1-76.3000105.6F221 L225F221-Y223 HydrophobicContact CB-CD2 4.05Å; F221-Y223 HydrophobicContact CB-CE2 3.6Å; F221-Y223 WeakPolarHBondContact O-CD2 3.47Å; F221-Y223 PolarHBondContact O-N 3.06Å; Y223-L225 PolarHBondContact O-N 3.44Å
224K42.9Very low54.5Low181 Ų181137.1 Ų137.179%0.78771%0.712SS**  trans-57.393153.3-74.7-98-174.91740104.5N222 E226N222-K224 PolarHBondContact O-N 3.29Å; K224-E226 PolarHBondContact O-N 3Å
225L40.4Very low52.7Low157 Ų157140.2 Ų140.282%0.82273%0.728SS**  trans-6977.8171.9-137.490.9000105.7Y223 P227Y223-L225 PolarHBondContact O-N 3.44Å; L225-P227 VanDerWaalsContact O-CD 3.27Å; L225-P227 WeakPolarHBondContact O-CD 3.44Å
226E41.5Very low50.7Low139 Ų139142.2 Ų142.265%0.6574%0.737SS**  trans-66.5116.1162.9-76.7-64.6150.200105.4K224 T228K224-E226 PolarHBondContact O-N 3Å; E226-T228 PolarHBondContact O-N 2.88Å
227P45.4Very low48.8Very low110 Ų110144.8 Ų144.871%0.71475%0.748SS**  trans-67.890.4177.926.6-29.8000107.6L225 K229L225-P227 VanDerWaalsContact O-CD 3.27Å; L225-P227 WeakPolarHBondContact O-CD 3.44Å; P227-K229 PolarHBondContact O-N 3.39Å
228T39.5Very low46.7Very low131 Ų131148.1 Ų148.180%0.80477%0.77SS**  trans-64.5111.5170.440.60000106.8E226 S230E226-T228 PolarHBondContact O-N 2.88Å; T228-S230 PolarHBondContact O-N 3.21Å
229K41.3Very low45.6Very low195 Ų195149.8 Ų149.885%0.84877%0.768SS**  trans-48.9113.6179-64.2173.3-178.8176.30108.3P227 T231P227-K229 PolarHBondContact O-N 3.39Å; K229-T231 PolarHBondContact O-N 3.09Å
230S42.6Very low44.7Very low106 Ų106154.4 Ų154.474%0.74178%0.777SS**  trans-53106.2172.11750000108.3T228 R232T228-S230 PolarHBondContact O-N 3.21Å; S230-R232 PolarHBondContact O-N 2.99Å; S230-R232 VanDerWaalsContact O-N 3.1Å
231T38.7Very low43.9Very low132 Ų132155.6 Ų155.681%0.8178%0.781SS**  trans-70.9104.9170.4-63.30000105.6K229 P233K229-T231 PolarHBondContact O-N 3.09Å; T231-P233 WeakPolarHBondContact O-CD 3.41Å
232R43.6Very low43.2Very low212 Ų212156.9 Ų156.980%0.879%0.789SS**PPolyproline II helixtrans-50.5122.4-179.4-72.6-179.7177-174.5-0.2110.1S230S230-R232 PolarHBondContact O-N 2.99Å; S230-R232 VanDerWaalsContact O-N 3.1Å
233P44.9Very low43Very low117 Ų117154.8 Ų154.876%0.7679%0.786SS**PPolyproline II helixtrans-68.3131.6152.828.1-28.4000107.9T231T231-P233 WeakPolarHBondContact O-CD 3.41Å
234F42.7Very low42.9Very low196 Ų196151.2 Ų151.286%0.8679%0.786SS**PPolyproline II helixtrans-51.7138.6176.8-86.8-99.7000111C236F234-C236 PolarHBondContact O-N 3.27Å
235T39.6Very low43.8Very low135 Ų135151.8 Ų151.883%0.82879%0.788SS**  trans-63.893.7178.652.20000110.4
236C38.6Very low44.9Very low120 Ų120151.2 Ų151.281%0.81178%0.784SS**  trans-80.9120.5155.5-73.30000107F234 L238F234-C236 PolarHBondContact O-N 3.27Å; C236-L238 PolarHBondContact O-N 2.7Å; C236-L238 VanDerWaalsContact O-N 3.16Å
237K42.2Very low46Very low204 Ų204149.3 Ų149.389%0.88779%0.786SS**  trans-58.9119.1179.1-64.1-157177.3-174.10108.4D239K237-D239 VanDerWaalsContact C-N 3.29Å; K237-D239 PolarHBondContact O-N 2.94Å
238L38.7Very low47.3Very low174 Ų174153.2 Ų153.291%0.91179%0.788SS**  trans-74.787.9176.8-164.375000107.1C236C236-L238 PolarHBondContact O-N 2.7Å; C236-L238 VanDerWaalsContact O-N 3.16Å
239D43.8Very low49.1Very low110 Ų110151.1 Ų151.159%0.58877%0.772SS**  trans-72.3143168.7-159.41.9000109.3K237 F241K237-D239 VanDerWaalsContact C-N 3.29Å; K237-D239 PolarHBondContact O-N 2.94Å; D239-F241 HydrophobicContact CB-CD2 4.04Å; D239-F241 HydrophobicContact CB-CE2 3.95Å; D239-F241 PolarHBondContact O-N 2.95Å; D239-F241 VanDerWaalsContact OD2-CE2 3.3Å; D239-F241 WeakPolarHBondContact OD2-CE2 3.34Å
240K46.8Very low51Low201 Ų201144.9 Ų144.987%0.87475%0.751SS**  trans-76.549.8-160.5-58.1178.6-175.2-176.80113.5
241F46.6Very low52.9Low167 Ų167147.6 Ų147.673%0.73275%0.752SS**  trans-86.5119.4177.4-68.6-75.2000110.8D239 S243D239-F241 HydrophobicContact CB-CD2 4.04Å; D239-F241 HydrophobicContact CB-CE2 3.95Å; D239-F241 PolarHBondContact O-N 2.95Å; D239-F241 VanDerWaalsContact OD2-CE2 3.3Å; D239-F241 WeakPolarHBondContact OD2-CE2 3.34Å; F241-S243 PolarHBondContact O-N 3.28Å
242Q47Very low54.7Low180 Ų180149 Ų14984%0.84174%0.743SS**  trans-27.6128.1163.4-89.2165-2100110.9C244Q242-C244 VanDerWaalsContact C-N 3.34Å; Q242-C244 PolarHBondContact O-N 3.39Å
243S48.9Very low56.3Low104 Ų104146.7 Ų146.773%0.72773%0.734SS**  trans-47.897.7177.447.10000109.9F241 K245F241-S243 PolarHBondContact O-N 3.28Å; S243-K245 VanDerWaalsContact C-N 3.31Å; S243-K245 PolarHBondContact O-N 2.95Å
244C46.2Very low57.9Low105 Ų105147.4 Ų147.471%0.70973%0.728SS**  trans-59.4105.4166.3-80.90000104.9Q242 I246Q242-C244 VanDerWaalsContact C-N 3.34Å; Q242-C244 PolarHBondContact O-N 3.39Å; C244-I246 HydrophobicContact CB-CG1 4.11Å; C244-I246 PolarHBondContact O-N 3.46Å
245K61.6Low59.8Low192 Ų192145.5 Ų145.584%0.83572%0.721SS**  trans-66.875.5169.5-66.4178.6-177.1176.10106.5S243 S247S243-K245 VanDerWaalsContact C-N 3.31Å; S243-K245 PolarHBondContact O-N 2.95Å; K245-S247 VanDerWaalsContact C-N 3.35Å; K245-S247 PolarHBondContact O-N 2.92Å
246I63.4Low61.8Low145 Ų145144.9 Ų144.974%0.74471%0.705SS**  trans-65.2105173.6-60.5161.3000104.2C244 Y248C244-I246 HydrophobicContact CB-CG1 4.11Å; C244-I246 PolarHBondContact O-N 3.46Å; I246-Y248 PolarHBondContact O-N 3.4Å
247S64.9Low63.8Low99 Ų99146.4 Ų146.469%0.69270%0.697SS**  trans-63.5107.2173.4-60.90000105.9K245 D249K245-S247 VanDerWaalsContact C-N 3.35Å; K245-S247 PolarHBondContact O-N 2.92Å; S247-D249 PolarHBondContact O-N 2.99Å; S247-D249 VanDerWaalsContact O-N 3.07Å
248Y70.9Confident65.8Low192 Ų192139 Ų13975%0.75367%0.67SS**  trans-68.3106.4172.450.7-88000106.9I246 T250I246-Y248 PolarHBondContact O-N 3.4Å; Y248-T250 HydrophobicContact CD2-CG2 4.36Å
249D77.4Confident67.9Low88 Ų88135.8 Ų135.847%0.47165%0.649SS.*  trans-85.9125.7168.2-144.8-7.7000107.2S247 R253 H254S247-D249 PolarHBondContact O-N 2.99Å; S247-D249 VanDerWaalsContact O-N 3.07Å; D249-R253 WeakPolarHBondContact OD1-CB 3.31Å; D249-R253 VanDerWaalsContact OD1-CD 3.24Å; D249-R253 WeakPolarHBondContact OD1-CD 3.4Å; D249-R253 WeakPolarHBondContact OD1-CG 3.4Å; D249-H254 IonicContact OD1-CE1 3.94Å; D249-H254 IonicContact OD2-CE1 2.96Å; D249-H254 PolarHBondContact OD2-CE1 3.25Å; D249-H254 IonicContact OD2-ND1 3.7Å; D249-H254 IonicContact OD2-NE2 3.52Å
250T81.3Confident69.8Low64 Ų64137 Ų13739%0.39365%0.649SS.*  trans-100151179.658.30000108.8Y248 Y252 R253 H254Y248-T250 HydrophobicContact CD2-CG2 4.36Å; T250-Y252 PolarHBondContact O-N 3.26Å; T250-Y252 VanDerWaalsContact O-N 3.14Å; T250-R253 WeakPolarHBondContact O-CA 3.48Å; T250-R253 WeakPolarHBondContact O-CB 3.49Å; T250-R253 PolarHBondContact O-N 3.07Å; T250-R253 PolarHBondContact OG1-N 3.49Å; T250-H254 PolarHBondContact O-CD2 3.39Å; T250-H254 PolarHBondContact O-N 3.03Å; T250-H254 VanDerWaalsContact O-N 3.15Å
251E82.3Confident71.6Confident162 Ų162133.5 Ų133.576%0.75763%0.631SS**Hα-helixtrans-51.5-38.5172.8-65.4177.1175.700111.5R253 H254 E255E251-R253 VanDerWaalsContact C-N 3.32Å; E251-R253 PolarHBondContact O-N 3.23Å; E251-H254 WeakPolarHBondContact O-CB 3.41Å; E251-H254 PolarHBondContact O-N 3.22Å; E251-H254 VanDerWaalsContact O-N 3.15Å; E251-E255 PolarHBondContact O-N 2.76Å
252Y77.2Confident73.2Confident163 Ų163126 Ų12664%0.63960%0.599SS**Hα-helixtrans-58-40.4172.9-179.9-98.2000113.4T250 H254 E255 Y256T250-Y252 PolarHBondContact O-N 3.26Å; T250-Y252 VanDerWaalsContact O-N 3.14Å; Y252-H254 VanDerWaalsContact C-N 3.32Å; Y252-E255 PolarHBondContact O-N 2.86Å; Y252-Y256 HydrophobicContact CE1-CD2 4.31Å; Y252-Y256 HydrophobicContact CE1-CG 4.42Å; Y252-Y256 AromaticContact CZ-CD2 3.97Å; Y252-Y256 WeakPolarHBondContact O-CB 3.33Å; Y252-Y256 PolarHBondContact O-N 3.45Å
253R77.7Confident75Confident162 Ų162119.4 Ų119.461%0.61157%0.572SS**Hα-helixtrans-71-29.1178.5-171.6170.2-179.1-1780.9112D249 T250 E251D249-R253 WeakPolarHBondContact OD1-CB 3.31Å; D249-R253 VanDerWaalsContact OD1-CD 3.24Å; D249-R253 WeakPolarHBondContact OD1-CD 3.4Å; D249-R253 WeakPolarHBondContact OD1-CG 3.4Å; T250-R253 WeakPolarHBondContact O-CA 3.48Å; T250-R253 WeakPolarHBondContact O-CB 3.49Å; T250-R253 PolarHBondContact O-N 3.07Å; T250-R253 PolarHBondContact OG1-N 3.49Å; E251-R253 VanDerWaalsContact C-N 3.32Å; E251-R253 PolarHBondContact O-N 3.23Å
254H78.5Confident76.5Confident133 Ų133117.6 Ų117.662%0.61655%0.553SS**Hα-helixtrans-70.8-35.2171.1-68.4-58.2000113.1D249 T250 E251 Y252D249-H254 IonicContact OD1-CE1 3.94Å; D249-H254 IonicContact OD2-CE1 2.96Å; D249-H254 PolarHBondContact OD2-CE1 3.25Å; D249-H254 IonicContact OD2-ND1 3.7Å; D249-H254 IonicContact OD2-NE2 3.52Å; T250-H254 PolarHBondContact O-CD2 3.39Å; T250-H254 PolarHBondContact O-N 3.03Å; T250-H254 VanDerWaalsContact O-N 3.15Å; E251-H254 WeakPolarHBondContact O-CB 3.41Å; E251-H254 PolarHBondContact O-N 3.22Å; E251-H254 VanDerWaalsContact O-N 3.15Å; Y252-H254 VanDerWaalsContact C-N 3.32Å
255E81.5Confident77.9Confident156 Ų156116.1 Ų116.173%0.72954%0.539SS*.Hα-helixtrans-89.5-22.6-178.2-66.9-176.2-177.500113.9E251 Y252 K257E251-E255 PolarHBondContact O-N 2.76Å; Y252-E255 PolarHBondContact O-N 2.86Å; E255-K257 PolarHBondContact O-N 3.15Å; E255-K257 VanDerWaalsContact O-N 3.07Å
256Y83.2Confident78.6Confident122 Ų122112.3 Ų112.348%0.47852%0.524SS..  trans-68.4108.6-176.1179.9-100.9000111.8Y252 P258Y252-Y256 HydrophobicContact CE1-CD2 4.31Å; Y252-Y256 HydrophobicContact CE1-CG 4.42Å; Y252-Y256 AromaticContact CZ-CD2 3.97Å; Y252-Y256 WeakPolarHBondContact O-CB 3.33Å; Y252-Y256 PolarHBondContact O-N 3.45Å; Y256-P258 HydrophobicContact CE1-CB 3.99Å
257K80.3Confident78.9Confident151 Ų151108.3 Ų108.366%0.65750%0.503SS*.  trans-97.6110169.2-63.7-173.5-178.6-173.80109.7E255E255-K257 PolarHBondContact O-N 3.15Å; E255-K257 VanDerWaalsContact O-N 3.07Å
258P82.6Confident79Confident48 Ų48112.1 Ų112.131%0.31251%0.507SS..  trans-59.8143.6174.124.2-33.2000110.4Y256 D277 V278 H279Y256-P258 HydrophobicContact CE1-CB 3.99Å; P258-D277 WeakPolarHBondContact CD-O 2.98Å; P258-D277 WeakPolarHBondContact CG-O 3.45Å; P258-V278 HydrophobicContact CG-CG2 4.15Å; P258-V278 CarbonylContact O-C 3.59Å; P258-V278 VanDerWaalsContact O-CA 3.28Å; P258-V278 WeakPolarHBondContact O-CA 3.5Å; P258-V278 WeakPolarHBondContact O-CG1 3.41Å; P258-H279 PolarHBondContact O-N 2.71Å
259F84.1Confident78.8Confident108 Ų108105.8 Ų105.847%0.47449%0.492SS..EExtended strand (participates in β ladder)trans-119.6147.1175.658.6-92.4000112.4Y261 H279 I281F259-Y261 AromaticContact CD2-CE2 3.95Å; F259-Y261 HydrophobicContact CD2-CE2 3.95Å; F259-Y261 AromaticContact CE2-CE2 3.64Å; F259-Y261 HydrophobicContact CE2-CE2 3.64Å; F259-Y261 AromaticContact CE2-CZ 3.82Å; F259-H279 CarbonylContact C-O 3.58Å; F259-H279 WeakPolarHBondContact CA-O 3.35Å; F259-H279 HydrophobicContact CB-CB 4.08Å; F259-H279 WeakPolarHBondContact CB-O 3.43Å; F259-I281 HydrophobicContact CB-CD1 4.16Å; F259-I281 HydrophobicContact CB-CG1 4.43Å; F259-I281 HydrophobicContact CD2-CD1 3.76Å; F259-I281 HydrophobicContact CE2-CD1 4.48Å; F259-I281 HydrophobicContact CG-CD1 4.1Å
260K82.5Confident77.8Confident134 Ų134107.8 Ų107.858%0.58351%0.512SS*.EExtended strand (participates in β ladder)trans-127.6129.9-179.4-170.7177.3-179.2-177.40110.5V262 V278 H279 I280 I281K260-V262 HydrophobicContact CD-CG2 4.38Å; K260-V262 HydrophobicContact CG-CG2 4.19Å; K260-V278 HydrophobicContact CB-CG1 3.8Å; K260-H279 PolarHBondContact N-O 2.98Å; K260-I280 CarbonylContact O-C 3.53Å; K260-I280 WeakPolarHBondContact O-CA 3.14Å; K260-I281 PolarHBondContact O-N 2.92Å
261Y84.9Confident76.8Confident128 Ų128112.7 Ų112.750%0.50253%0.531SS..EExtended strand (participates in β ladder)trans-82.8121.6174.5-65.5-77.8000110.6F259 I281 L283F259-Y261 AromaticContact CD2-CE2 3.95Å; F259-Y261 HydrophobicContact CD2-CE2 3.95Å; F259-Y261 AromaticContact CE2-CE2 3.64Å; F259-Y261 HydrophobicContact CE2-CE2 3.64Å; F259-Y261 AromaticContact CE2-CZ 3.82Å; Y261-I281 WeakPolarHBondContact CA-O 3.46Å; Y261-I281 HydrophobicContact CD1-CB 3.83Å; Y261-I281 HydrophobicContact CD1-CD1 4.43Å; Y261-I281 HydrophobicContact CD1-CG2 3.9Å; Y261-I281 HydrophobicContact CE1-CB 4Å; Y261-I281 HydrophobicContact CE1-CD1 3.82Å; Y261-I281 HydrophobicContact CE1-CG2 3.87Å; Y261-L283 HydrophobicContact CD1-CD1 4.26Å; Y261-L283 HydrophobicContact CD1-CD2 3.78Å; Y261-L283 HydrophobicContact CD1-CG 3.98Å; Y261-L283 HydrophobicContact CE1-CD2 4.44Å; Y261-L283 HydrophobicContact CG-CD1 4.23Å; Y261-L283 HydrophobicContact CG-CG 4.38Å
262V81.3Confident75.8Confident11 Ų11107.1 Ų107.17%0.06751%0.508CS..EExtended strand (participates in β ladder)trans-126.6127.3-179.6-178.40000109.9K260 Q266 L267 I280 I281 P282 L283K260-V262 HydrophobicContact CD-CG2 4.38Å; K260-V262 HydrophobicContact CG-CG2 4.19Å; V262-Q266 HydrophobicContact CG1-CB 4.01Å; V262-L267 HydrophobicContact CB-CD2 4.03Å; V262-L267 HydrophobicContact CB-CG 4.44Å; V262-L267 HydrophobicContact CG1-CD2 3.8Å; V262-L267 HydrophobicContact CG1-CG 4.01Å; V262-I280 HydrophobicContact CB-CG2 3.83Å; V262-I280 HydrophobicContact CG2-CG2 3.66Å; V262-I281 PolarHBondContact N-O 3.49Å; V262-P282 WeakPolarHBondContact O-CA 3.47Å; V262-L283 PolarHBondContact O-N 3.38Å
263P83.2Confident75Confident41 Ų41105.5 Ų105.527%0.26651%0.509SS..EExtended strand (participates in β ladder)trans-58.7138.7173.5-23.634000112D265 Q266 L267P263-D265 PolarHBondContact O-N 3.3Å; P263-D265 VanDerWaalsContact O-N 3.09Å; P263-Q266 PolarHBondContact O-N 2.9Å; P263-L267 PolarHBondContact O-N 3.38Å
264I80.8Confident74.2Confident65 Ų65106 Ų10633%0.33352%0.518SS..Hα-helixtrans-54.7-34.5-176.3-63.5167.6000112.9Q266 L267 P282 L283 K284I264-Q266 PolarHBondContact O-N 3.39Å; I264-L267 WeakPolarHBondContact O-CB 3.29Å; I264-L267 PolarHBondContact O-N 2.92Å; I264-L267 VanDerWaalsContact O-N 3.08Å; I264-P282 HydrophobicContact CG1-CB 4.03Å; I264-L283 WeakPolarHBondContact CG1-O 3.36Å; I264-L283 PolarHBondContact N-O 2.99Å; I264-L283 VanDerWaalsContact N-O 3.13Å; I264-K284 HydrophobicContact CD1-CB 3.99Å; I264-K284 HydrophobicContact CD1-CG 4.33Å
265D76.9Confident73.6Confident75 Ų75104.3 Ų104.340%0.40151%0.514SS..Hα-helixtrans-63.4-30.9-179.3-50.8-26.5000112.2P263 R285P263-D265 PolarHBondContact O-N 3.3Å; P263-D265 VanDerWaalsContact O-N 3.09Å; D265-R285 IonicContact OD2-CZ 2.77Å; D265-R285 IonicContact OD2-NH1 3.37Å; D265-R285 PolarHBondContact OD2-NH1 2.88Å
266Q74.8Confident72.9Confident112 Ų112106.6 Ų106.652%0.52352%0.521SS..Hα-helixtrans-85.2-15.9177.6-64.8179.7-1.300112.5V262 P263 I264 K268 S269 V272V262-Q266 HydrophobicContact CG1-CB 4.01Å; P263-Q266 PolarHBondContact O-N 2.9Å; I264-Q266 PolarHBondContact O-N 3.39Å; Q266-K268 VanDerWaalsContact C-N 3.26Å; Q266-K268 PolarHBondContact O-N 3.44Å; Q266-S269 PolarHBondContact O-OG 2.95Å; Q266-V272 WeakPolarHBondContact O-CG2 3.37Å
267L70.3Confident72.4Confident60 Ų60107 Ų10731%0.31453%0.532SS..Hα-helixtrans-73-20.9175.3-67.4171.7000112.6V262 P263 I264 V272 I280 P282V262-L267 HydrophobicContact CB-CD2 4.03Å; V262-L267 HydrophobicContact CB-CG 4.44Å; V262-L267 HydrophobicContact CG1-CD2 3.8Å; V262-L267 HydrophobicContact CG1-CG 4.01Å; P263-L267 PolarHBondContact O-N 3.38Å; I264-L267 WeakPolarHBondContact O-CB 3.29Å; I264-L267 PolarHBondContact O-N 2.92Å; I264-L267 VanDerWaalsContact O-N 3.08Å; L267-V272 HydrophobicContact CD2-CG1 4.48Å; L267-I280 HydrophobicContact CD2-CG2 3.86Å; L267-P282 HydrophobicContact CD1-CB 3.68Å; L267-P282 HydrophobicContact CD1-CG 3.87Å
268K68Low72.3Confident179 Ų179102 Ų10278%0.77851%0.514SS*.SBendtrans-87.4-21.9-179.8-65.7-175.1-179.2-179.80113.7Q266 S270Q266-K268 VanDerWaalsContact C-N 3.26Å; Q266-K268 PolarHBondContact O-N 3.44Å; K268-S270 PolarHBondContact O-N 2.9Å
269S65.7Low72.1Confident60 Ų60105.6 Ų105.642%0.4253%0.526SS..SBendtrans-68.5122.8168.944.70000107.7Q266 E271 V272Q266-S269 PolarHBondContact O-OG 2.95Å; S269-E271 PolarHBondContact O-N 3.39Å; S269-V272 PolarHBondContact O-N 3.2Å
270S56.9Low72Confident130 Ų130102.8 Ų102.891%0.90952%0.516SS*.THydrogen-bonded Turntrans-58.59.3-177.8430000115.8K268K268-S270 PolarHBondContact O-N 2.9Å
271E60.4Low72Confident166 Ų16699.3 Ų99.378%0.77650%0.503SS*.THydrogen-bonded Turntrans-1023179.9-71.3-178.1177.600113.9S269 I273S269-E271 PolarHBondContact O-N 3.39Å; E271-I273 PolarHBondContact O-N 3.19Å
272V60.9Low71.9Confident46 Ų4697 Ų9728%0.27950%0.503SS..  trans-72.786.5166-174.90000107.6Q266 L267 S269 E274 I280Q266-V272 WeakPolarHBondContact O-CG2 3.37Å; L267-V272 HydrophobicContact CD2-CG1 4.48Å; S269-V272 PolarHBondContact O-N 3.2Å; V272-E274 PolarHBondContact O-N 3.42Å; V272-I280 HydrophobicContact CG1-CD1 3.62Å
273I60.5Low71.9Confident129 Ų129100.4 Ų100.466%0.66252%0.52SS*.  trans-53.1109.8169.7-60162.2000105.9E271 N275E271-I273 PolarHBondContact O-N 3.19Å; I273-N275 VanDerWaalsContact CG2-OD1 3.31Å; I273-N275 WeakPolarHBondContact CG2-OD1 3.37Å; I273-N275 PolarHBondContact O-N 2.89Å
274E60.9Low71.9Confident172 Ų172106.8 Ų106.880%0.80454%0.544SS*.  trans-65.680174.5-68.5-174.7170.900108.5V272 K276V272-E274 PolarHBondContact O-N 3.42Å; E274-K276 PolarHBondContact O-N 2.99Å
275N64.9Low71.7Confident97 Ų97109.4 Ų109.452%0.51955%0.55SS..  trans-68.2104169.6-69.9-27.3000106.9I273 D277 V278I273-N275 VanDerWaalsContact CG2-OD1 3.31Å; I273-N275 WeakPolarHBondContact CG2-OD1 3.37Å; I273-N275 PolarHBondContact O-N 2.89Å; N275-D277 PolarHBondContact O-N 3.35Å; N275-V278 HydrophobicContact CB-CG2 4.43Å; N275-V278 PolarHBondContact O-N 3.14Å
276K68Low71.7Confident205 Ų205109.7 Ų109.789%0.89156%0.556SS**THydrogen-bonded Turntrans-55.1-19.3-177.1-64.3179-178.91790113.7E274E274-K276 PolarHBondContact O-N 2.99Å
277D72.8Confident71.4Confident130 Ų130109.3 Ų109.370%0.69557%0.566SS**THydrogen-bonded Turntrans-88.8-12.7-177.7-54.3-30.4000113.8P258 N275P258-D277 WeakPolarHBondContact CD-O 2.98Å; P258-D277 WeakPolarHBondContact CG-O 3.45Å; N275-D277 PolarHBondContact O-N 3.35Å
278V77.9Confident71.6Confident46 Ų46112 Ų11228%0.27959%0.589SS.*SBendtrans-116.2117.9-177.1-173.60000110.4P258 K260 N275 I280P258-V278 HydrophobicContact CG-CG2 4.15Å; P258-V278 CarbonylContact O-C 3.59Å; P258-V278 VanDerWaalsContact O-CA 3.28Å; P258-V278 WeakPolarHBondContact O-CA 3.5Å; P258-V278 WeakPolarHBondContact O-CG1 3.41Å; K260-V278 HydrophobicContact CB-CG1 3.8Å; N275-V278 HydrophobicContact CB-CG2 4.43Å; N275-V278 PolarHBondContact O-N 3.14Å; V278-I280 PolarHBondContact O-N 3.38Å
279H79.1Confident71.5Confident123 Ų123105.6 Ų105.657%0.56957%0.57SS**EExtended strand (participates in β ladder)trans-74.3112176.9-148.2-63.9000110.4P258 F259 K260P258-H279 PolarHBondContact O-N 2.71Å; F259-H279 CarbonylContact C-O 3.58Å; F259-H279 WeakPolarHBondContact CA-O 3.35Å; F259-H279 HydrophobicContact CB-CB 4.08Å; F259-H279 WeakPolarHBondContact CB-O 3.43Å; K260-H279 PolarHBondContact N-O 2.98Å
280I81.5Confident71.5Confident50 Ų50110 Ų11026%0.25658%0.578SS.*EExtended strand (participates in β ladder)trans-85.6126-179.6-59175.4000109.6K260 V262 L267 V272 V278K260-I280 CarbonylContact O-C 3.53Å; K260-I280 WeakPolarHBondContact O-CA 3.14Å; V262-I280 HydrophobicContact CB-CG2 3.83Å; V262-I280 HydrophobicContact CG2-CG2 3.66Å; L267-I280 HydrophobicContact CD2-CG2 3.86Å; V272-I280 HydrophobicContact CG1-CD1 3.62Å; V278-I280 PolarHBondContact O-N 3.38Å
281I81.4Confident71.1Confident61 Ų61106 Ų10631%0.31356%0.557SS.*EExtended strand (participates in β ladder)trans-104.1115.5174.7-58.1176000108.7F259 K260 Y261 V262 L283F259-I281 HydrophobicContact CB-CD1 4.16Å; F259-I281 HydrophobicContact CB-CG1 4.43Å; F259-I281 HydrophobicContact CD2-CD1 3.76Å; F259-I281 HydrophobicContact CE2-CD1 4.48Å; F259-I281 HydrophobicContact CG-CD1 4.1Å; K260-I281 PolarHBondContact O-N 2.92Å; Y261-I281 WeakPolarHBondContact CA-O 3.46Å; Y261-I281 HydrophobicContact CD1-CB 3.83Å; Y261-I281 HydrophobicContact CD1-CD1 4.43Å; Y261-I281 HydrophobicContact CD1-CG2 3.9Å; Y261-I281 HydrophobicContact CE1-CB 4Å; Y261-I281 HydrophobicContact CE1-CD1 3.82Å; Y261-I281 HydrophobicContact CE1-CG2 3.87Å; V262-I281 PolarHBondContact N-O 3.49Å; I281-L283 PolarHBondContact O-N 2.9Å
282P84.1Confident70.9Confident78 Ų78106 Ų10651%0.50656%0.561SS.*EExtended strand (participates in β ladder)trans-67.2128.1177.6-20.532.6000112.6V262 I264 L267V262-P282 WeakPolarHBondContact O-CA 3.47Å; I264-P282 HydrophobicContact CG1-CB 4.03Å; L267-P282 HydrophobicContact CD1-CB 3.68Å; L267-P282 HydrophobicContact CD1-CG 3.87Å
283L81.5Confident70.2Confident83 Ų83115 Ų11544%0.43559%0.589SS.*EExtended strand (participates in β ladder)trans-102121172.1-72-176.9000111.6Y261 V262 I264 I281Y261-L283 HydrophobicContact CD1-CD1 4.26Å; Y261-L283 HydrophobicContact CD1-CD2 3.78Å; Y261-L283 HydrophobicContact CD1-CG 3.98Å; Y261-L283 HydrophobicContact CE1-CD2 4.44Å; Y261-L283 HydrophobicContact CG-CD1 4.23Å; Y261-L283 HydrophobicContact CG-CG 4.38Å; V262-L283 PolarHBondContact O-N 3.38Å; I264-L283 WeakPolarHBondContact CG1-O 3.36Å; I264-L283 PolarHBondContact N-O 2.99Å; I264-L283 VanDerWaalsContact N-O 3.13Å; I281-L283 PolarHBondContact O-N 2.9Å
284K82.7Confident69.3Low176 Ų176118 Ų11877%0.76560%0.601SS**PPolyproline II helixtrans-75125.9172.4-170.3175.6-178.61780110.3I264I264-K284 HydrophobicContact CD1-CB 3.99Å; I264-K284 HydrophobicContact CD1-CG 4.33Å
285R76Confident68.5Low120 Ų120116.9 Ų116.945%0.45360%0.599SS.*PPolyproline II helixtrans-65.9135.2173.9-126.9-176.7-171.8124.3-0110D265 A289D265-R285 IonicContact OD2-CZ 2.77Å; D265-R285 IonicContact OD2-NH1 3.37Å; D265-R285 PolarHBondContact OD2-NH1 2.88Å; R285-A289 HydrophobicContact CG-CB 4Å
286P76.8Confident67.1Low81 Ų81118.2 Ų118.253%0.52661%0.611SS.*PPolyproline II helixtrans-64.4145.2172.426.1-33.2000110.4S288 A289P286-S288 PolarHBondContact O-N 3.29Å; P286-A289 HydrophobicContact CG-CB 4.23Å; P286-A289 WeakPolarHBondContact O-CB 3.42Å; P286-A289 PolarHBondContact O-N 2.92Å
287S68.7Low65.6Low104 Ų104117.1 Ų117.173%0.72761%0.611SS**G310 helixtrans-57.8-23.2-175.6-170.90000114.1A289S287-A289 VanDerWaalsContact C-N 3.27Å; S287-A289 PolarHBondContact O-N 3.39Å
288S73.9Confident63.9Low115 Ų115117.7 Ų117.780%0.80461%0.614SS**G310 helixtrans-73.5-15.117753.30000113.9P286P286-S288 PolarHBondContact O-N 3.29Å
289A67.7Low61.9Low46 Ų46123.5 Ų123.538%0.3864%0.643SS.*G310 helixtrans-87.5-9.6-177.600000114R285 P286 S287 G291R285-A289 HydrophobicContact CG-CB 4Å; P286-A289 HydrophobicContact CG-CB 4.23Å; P286-A289 WeakPolarHBondContact O-CB 3.42Å; P286-A289 PolarHBondContact O-N 2.92Å; S287-A289 VanDerWaalsContact C-N 3.27Å; S287-A289 PolarHBondContact O-N 3.39Å; A289-G291 PolarHBondContact O-N 3.45Å
290Y64.6Low59.9Low153 Ų153124.3 Ų124.360%0.665%0.651SS**  trans-71.779.2170.5-64.2-76.3000109.5I292Y290-I292 PolarHBondContact O-N 3.14Å
291G49.7Very low57.7Low44 Ų44128.7 Ų128.745%0.45468%0.675SS.*  trans-82.3101.2174.700000110.8A289 R293A289-G291 PolarHBondContact O-N 3.45Å; G291-R293 WeakPolarHBondContact O-CG 3.47Å; G291-R293 PolarHBondContact O-N 2.91Å
292I54.5Low55.7Low168 Ų168133.7 Ų133.786%0.86270%0.702SS**SBendtrans45.2-9.3147.3-60.1168.7000120.5Y290Y290-I292 PolarHBondContact O-N 3.14Å
293R46.8Very low53.6Low233 Ų233136.1 Ų136.188%0.87972%0.716SS**  trans-115.962.5-171.129.1176.6164.8-140.3-3.2112G291G291-R293 WeakPolarHBondContact O-CG 3.47Å; G291-R293 PolarHBondContact O-N 2.91Å
294E41.3Very low51.6Low194 Ų194140.3 Ų140.391%0.90773%0.733SS**  trans-142.553.1152-70.5-170.7-175.600108.4
295I43.6Very low49.5Very low147 Ų147140.8 Ų140.875%0.75474%0.735SS**SBendtrans-104.9101.4155.7-56.1175.4000104.1M297I295-M297 PolarHBondContact O-N 3.44Å
296T37Very low47.6Very low126 Ų126146.1 Ų146.177%0.77376%0.755SS**  trans-36.5123171.723.30000111.7N298T296-N298 VanDerWaalsContact C-N 3.28Å; T296-N298 PolarHBondContact O-N 2.98Å
297M36.4Very low45.8Very low181 Ų181153.9 Ų153.989%0.89277%0.774SS**  trans-66.174.7177.7-68.9-77.6-17100111.6I295I295-M297 PolarHBondContact O-N 3.44Å
298N36.9Very low44.6Very low143 Ų143156.6 Ų156.677%0.76578%0.779SS**  trans-121.470.3167.1-7314.8000109.5T296T296-N298 VanDerWaalsContact C-N 3.28Å; T296-N298 PolarHBondContact O-N 2.98Å
299N36.6Very low42.8Very low167 Ų167161.3 Ų161.389%0.89378%0.779SS**  trans-177.298.1140.4-101.8-45.6000109.7
300I36.2Very low41.5Very low140 Ų140162.5 Ų162.572%0.71879%0.789SS**  trans-72.1144.1160.3-71.5160.8000107.1
301N35.6Very low40.5Very low143 Ų143163.7 Ų163.777%0.76580%0.804SS**  trans9285.3172.9-49.7-32.5000116.6
302D39.8Very low40.1Very low166 Ų166166.8 Ų166.889%0.88882%0.815SS**  -161.7127.8116.7-96.8-22.3000110.1
303T40.2Very low39.4Very low129 Ų129164.2 Ų164.279%0.79181%0.809SS**  trans-58.2138.1-178.444.10000113.6
304E38.5Very low38.9Very low170 Ų170159 Ų15979%0.79481%0.805SS**SBendtrans62.3119.9157.1-75-174.8148.700119.8
305K38.5Very low38.9Very low186 Ų186155.3 Ų155.381%0.80980%0.801SS**  trans75.670160.6-52.4169.1-169172.40116.5
306R35.5Very low38.7Very low233 Ų233156.7 Ų156.788%0.87980%0.804SS**  trans-126.775.4146.2-70.1-172.8-176.4170.24.3110.2I308R306-I308 PolarHBondContact O-N 3.15Å; R306-I308 VanDerWaalsContact O-N 3.11Å
307R40.2Very low38.7Very low244 Ų244158.1 Ų158.192%0.92181%0.805SS**  trans-61.5113.1163.6-79.5172.587161.13.2107.6R309R307-R309 PolarHBondContact O-N 2.87Å
308I43.1Very low38.8Very low161 Ų161157.3 Ų157.383%0.82680%0.799SS**  trans-1.3107.5159-59.3169.4000112.6R306 A310R306-I308 PolarHBondContact O-N 3.15Å; R306-I308 VanDerWaalsContact O-N 3.11Å; I308-A310 VanDerWaalsContact C-N 3.25Å; I308-A310 PolarHBondContact O-N 3.36Å
309R35.9Very low38.6Very low214 Ų214156.4 Ų156.481%0.80880%0.799SS**  trans-55.891.2156.1-72175.7171.4108.2-3.2107.9R307R307-R309 PolarHBondContact O-N 2.87Å
310A40.4Very low38.7Very low71 Ų71157.5 Ų157.559%0.58780%0.796SS**  trans-57132.514000000105.8I308 T312I308-A310 VanDerWaalsContact C-N 3.25Å; I308-A310 PolarHBondContact O-N 3.36Å; A310-T312 PolarHBondContact O-N 3.01Å
311L44.6Very low38.8Very low177 Ų177156.4 Ų156.493%0.92780%0.798SS**SBendtrans-69.339.2-176.7-73.3163.1000113.1
312T40.6Very low39.1Very low110 Ų110156.9 Ų156.968%0.67580%0.799SS**SBendtrans-123.6111.4170-33.60000106.2A310A310-T312 PolarHBondContact O-N 3.01Å
313P38.9Very low39.4Very low114 Ų114157.2 Ų157.274%0.7480%0.795SS**  trans-58.9131.7176.323.3-30.6000109S315P313-S315 PolarHBondContact O-N 3.36Å
314P36.8Very low39.5Very low123 Ų123159 Ų15980%0.79979%0.794SS**  trans-70.2104.4178.827.3-31.3000108.6Q316P314-Q316 PolarHBondContact O-N 2.74Å
315S42.2Very low40.1Very low117 Ų117163 Ų16382%0.81880%0.802SS**  trans-70.8114.7167.966.90000107.8P313P313-S315 PolarHBondContact O-N 3.36Å
316Q38.9Very low40.7Very low175 Ų175162.8 Ų162.882%0.81880%0.801SS**  trans-47.3141.1174-69.9164.9-1.600111.2P314 H318P314-Q316 PolarHBondContact O-N 2.74Å; Q316-H318 PolarHBondContact O-N 2.93Å
317I36.7Very low41.7Very low156 Ų156160.6 Ų160.680%0.880%0.798SS**  trans-55.6104.4171.4-63155.8000108.2
318H37.8Very low42.4Very low165 Ų165160 Ų16076%0.76480%0.797SS**  trans-148.6101.5149.4-80.7-65.5000109.3Q316 K320Q316-H318 PolarHBondContact O-N 2.93Å; H318-K320 PolarHBondContact O-N 3.38Å
319T33.8Very low43.2Very low123 Ų123157.6 Ų157.676%0.75579%0.79SS**  trans6.6101.314253.20000116.5
320K37.6Very low44.6Very low190 Ų190151.2 Ų151.283%0.82678%0.775SS**  trans-175.8133.7132.7-97.1167.6-167.2-171.10109.5H318 I322H318-K320 PolarHBondContact O-N 3.38Å; K320-I322 PolarHBondContact O-N 3Å
321P40Very low46.1Very low118 Ų118156.3 Ų156.377%0.76679%0.787SS**  trans-80.1103.2-169.731.3-32.6000110.9Q323P321-Q323 PolarHBondContact O-N 3.45Å
322I40.7Very low47.3Very low152 Ų152155.1 Ų155.178%0.77977%0.771SS**  trans-82.999172.5-61.6175.3000108.5K320 H324K320-I322 PolarHBondContact O-N 3Å; I322-H324 HydrophobicContact CG2-CB 4.46Å; I322-H324 PolarHBondContact O-N 2.91Å
323Q47.2Very low48.5Very low174 Ų174154.3 Ų154.381%0.81376%0.762SS**  trans-68.661.1175-63.9-178.2-15.200112.6P321P321-Q323 PolarHBondContact O-N 3.45Å
324H42Very low49.8Very low166 Ų166152.2 Ų152.277%0.76975%0.754SS**  trans-143.730.6174.1-84.4-70.7000114.9I322 K326I322-H324 HydrophobicContact CG2-CB 4.46Å; I322-H324 PolarHBondContact O-N 2.91Å; H324-K326 PolarHBondContact O-N 3.44Å
325R50Low51.5Low254 Ų254153.6 Ų153.696%0.95875%0.748SS**  trans-83.361.3163.6-73.5-165.4156.7-156.9-5.5111.7
326K51.3Low52.7Low182 Ų182153.8 Ų153.879%0.79173%0.732SS**  trans-116.7138155.4-67.9-177.7-177.9178.70105.8H324H324-K326 PolarHBondContact O-N 3.44Å
327K56.6Low53.9Low186 Ų186150.8 Ų150.881%0.80972%0.72SS**  trans101.786.9179.5-54.8160.3-172.5-170.60112.7
328Y54.4Low54.9Low232 Ų232148.4 Ų148.491%0.9171%0.709SS**  -174.659.3127-77.1-62.4000107.2T330Y328-T330 PolarHBondContact O-N 2.84Å
329T60.9Low55.6Low111 Ų111147.6 Ų147.668%0.68170%0.7SS**  trans-76.5113.5162.451.20000105.9
330T64.7Low56.6Low79 Ų79144.8 Ų144.849%0.48569%0.686SS.*  trans-58151.7169.2540000109Y328 Y332 N333 A334Y328-T330 PolarHBondContact O-N 2.84Å; T330-Y332 PolarHBondContact O-N 2.99Å; T330-Y332 VanDerWaalsContact O-N 3.08Å; T330-N333 PolarHBondContact O-N 2.81Å; T330-N333 PolarHBondContact OG1-N 3.35Å; T330-A334 PolarHBondContact O-N 3.24Å
331E71.6Confident57.6Low179 Ų179141 Ų14184%0.83668%0.675SS**Hα-helixtrans-53.4-31.1174.8-63.7-177.5177.700111.7A334 K335E331-A334 PolarHBondContact O-N 2.98Å; E331-K335 WeakPolarHBondContact O-CB 3.41Å; E331-K335 PolarHBondContact O-N 3.43Å
332Y71.6Confident58.4Low152 Ų152137.5 Ų137.560%0.59665%0.651SS**Hα-helixtrans-61.7-49.9173.4-170.4-90.9000112.6T330 A334 K335 Y336T330-Y332 PolarHBondContact O-N 2.99Å; T330-Y332 VanDerWaalsContact O-N 3.08Å; Y332-A334 VanDerWaalsContact C-N 3.29Å; Y332-A334 PolarHBondContact O-N 2.97Å; Y332-K335 PolarHBondContact O-N 3.12Å; Y332-K335 VanDerWaalsContact O-N 3.15Å; Y332-Y336 HydrophobicContact CD1-CD2 4.15Å; Y332-Y336 AromaticContact CD2-CD2 3.7Å; Y332-Y336 HydrophobicContact CD2-CD2 3.7Å; Y332-Y336 AromaticContact CD2-CE2 3.8Å; Y332-Y336 HydrophobicContact CD2-CE2 3.8Å; Y332-Y336 AromaticContact CE1-CD2 3.98Å; Y332-Y336 HydrophobicContact CE1-CD2 3.98Å; Y332-Y336 HydrophobicContact CE1-CG 4.5Å; Y332-Y336 AromaticContact CE2-CD2 3.51Å; Y332-Y336 HydrophobicContact CE2-CD2 3.51Å; Y332-Y336 AromaticContact CE2-CE2 3.54Å; Y332-Y336 HydrophobicContact CE2-CE2 3.54Å; Y332-Y336 HydrophobicContact CG-CD2 4.02Å; Y332-Y336 AromaticContact CZ-CD2 3.66Å; Y332-Y336 WeakPolarHBondContact O-CD2 3.34Å; Y332-Y336 PolarHBondContact O-N 3.42Å
333N65.2Low59.1Low93 Ų93133.9 Ų133.950%0.49763%0.632SS.*Hα-helixtrans-69.6-27.1179.1-69.5-0.6000112.5T330 Y336T330-N333 PolarHBondContact O-N 2.81Å; T330-N333 PolarHBondContact OG1-N 3.35Å; N333-Y336 CarbonylContact O-C 3.48Å
334A65.3Low59.4Low69 Ų69132.5 Ų132.557%0.5763%0.631SS**Hα-helixtrans-70.8-34.5171.900000112T330 E331 Y332T330-A334 PolarHBondContact O-N 3.24Å; E331-A334 PolarHBondContact O-N 2.98Å; Y332-A334 VanDerWaalsContact C-N 3.29Å; Y332-A334 PolarHBondContact O-N 2.97Å
335K73Confident59.8Low153 Ų153127.5 Ų127.567%0.66561%0.612SS**Hα-helixtrans-80.3-39.6179.1-171.9175.7-178.3-1740112.8E331 Y332E331-K335 WeakPolarHBondContact O-CB 3.41Å; E331-K335 PolarHBondContact O-N 3.43Å; Y332-K335 PolarHBondContact O-N 3.12Å; Y332-K335 VanDerWaalsContact O-N 3.15Å
336Y66.9Low59.5Low121 Ų121119.9 Ų119.948%0.47560%0.595SS.*SBendtrans-113.289.5179.8-56.3-77.7000107.7Y332 N333 D338Y332-Y336 HydrophobicContact CD1-CD2 4.15Å; Y332-Y336 AromaticContact CD2-CD2 3.7Å; Y332-Y336 HydrophobicContact CD2-CD2 3.7Å; Y332-Y336 AromaticContact CD2-CE2 3.8Å; Y332-Y336 HydrophobicContact CD2-CE2 3.8Å; Y332-Y336 AromaticContact CE1-CD2 3.98Å; Y332-Y336 HydrophobicContact CE1-CD2 3.98Å; Y332-Y336 HydrophobicContact CE1-CG 4.5Å; Y332-Y336 AromaticContact CE2-CD2 3.51Å; Y332-Y336 HydrophobicContact CE2-CD2 3.51Å; Y332-Y336 AromaticContact CE2-CE2 3.54Å; Y332-Y336 HydrophobicContact CE2-CE2 3.54Å; Y332-Y336 HydrophobicContact CG-CD2 4.02Å; Y332-Y336 AromaticContact CZ-CD2 3.66Å; Y332-Y336 WeakPolarHBondContact O-CD2 3.34Å; Y332-Y336 PolarHBondContact O-N 3.42Å; N333-Y336 CarbonylContact O-C 3.48Å; Y336-D338 PolarHBondContact O-N 3Å; Y336-D338 VanDerWaalsContact O-N 3.13Å
337I65Low59.4Low111 Ų111120.3 Ų120.357%0.56960%0.6SS**  trans-59.8118.2168.1-63.4168.8000106.1Y339I337-Y339 PolarHBondContact O-N 3.38Å
338D56.6Low59Low107 Ų107118.8 Ų118.857%0.57260%0.601SS**  trans-65.4111.2172.7-146-9.1000107Y336 S340 D341Y336-D338 PolarHBondContact O-N 3Å; Y336-D338 VanDerWaalsContact O-N 3.13Å; D338-S340 PolarHBondContact O-N 3.28Å; D338-D341 PolarHBondContact O-N 3Å
339Y53Low58.7Low147 Ų147115.7 Ų115.758%0.57659%0.594SS**G310 helixtrans-63.7-15.9-173.1-69.3-81.9000112.5I337 D341 V342I337-Y339 PolarHBondContact O-N 3.38Å; Y339-D341 VanDerWaalsContact C-N 3.35Å; Y339-V342 WeakPolarHBondContact O-CB 3.39Å; Y339-V342 PolarHBondContact O-N 2.88Å
340S56Low57.8Low65 Ų65115.4 Ų115.446%0.45559%0.587SS.*G310 helixtrans-65.5-33.1172.4-65.50000113D338 V342 L343D338-S340 PolarHBondContact O-N 3.28Å; S340-V342 PolarHBondContact O-N 3.3Å; S340-L343 PolarHBondContact O-N 3.33Å; S340-L343 VanDerWaalsContact O-N 3.08Å
341D57.2Low56.9Low111 Ų111122.3 Ų122.359%0.59461%0.61SS**G310 helixtrans-68.4-15.6179.6-74.9-7.7000112.7D338 Y339 L343D338-D341 PolarHBondContact O-N 3Å; Y339-D341 VanDerWaalsContact C-N 3.35Å; D341-L343 PolarHBondContact O-N 3.45Å
342V57.9Low55.8Low44 Ų44116.5 Ų116.527%0.26759%0.589SS.*G310 helixtrans-69.9-19.1175.1-176.20000111.3Y339 S340Y339-V342 WeakPolarHBondContact O-CB 3.39Å; Y339-V342 PolarHBondContact O-N 2.88Å; S340-V342 PolarHBondContact O-N 3.3Å
343L54.1Low54.9Low75 Ų75114.3 Ų114.339%0.39360%0.596SS.*THydrogen-bonded Turntrans-99.2-24.5-174.3-62179.7000114.8S340 D341 V345 H359 Y362S340-L343 PolarHBondContact O-N 3.33Å; S340-L343 VanDerWaalsContact O-N 3.08Å; D341-L343 PolarHBondContact O-N 3.45Å; L343-V345 PolarHBondContact O-N 3.3Å; L343-H359 VanDerWaalsContact CD2-ND1 3.27Å; L343-H359 WeakPolarHBondContact CD2-ND1 3.43Å; L343-Y362 HydrophobicContact CD1-CD1 4.12Å; L343-Y362 HydrophobicContact CD1-CE1 3.72Å
344D53.7Low54.3Low145 Ų145116 Ų11678%0.77561%0.605SS**SBendtrans-75.2-3.1177.8-88.60.5000113.1P346D344-P346 VanDerWaalsContact O-CD 3.23Å; D344-P346 WeakPolarHBondContact O-CD 3.4Å
345V50.2Low53.7Low62 Ų62116.9 Ų116.938%0.37660%0.596SS.*SBendtrans-79.8113.4169.5-175.90000108.4L343 Q347 M350L343-V345 PolarHBondContact O-N 3.3Å; V345-Q347 PolarHBondContact O-N 2.68Å; V345-M350 HydrophobicContact CG1-SD 4.08Å
346P45Very low53Low93 Ų93112.8 Ų112.860%0.60459%0.587SS**  trans-56.8131.3179.7-21.933.4000110.4D344 N348 Q349D344-P346 VanDerWaalsContact O-CD 3.23Å; D344-P346 WeakPolarHBondContact O-CD 3.4Å; P346-N348 PolarHBondContact O-N 2.9Å; P346-Q349 PolarHBondContact O-N 3.45Å
347Q49.3Very low52.9Low192 Ų192113.1 Ų113.190%0.89760%0.596SS**G310 helixtrans-46.8-20.7-176.8-169.8170.3-12.300114.8V345V345-Q347 PolarHBondContact O-N 2.68Å
348N47Very low53Low154 Ų154110.1 Ų110.182%0.82458%0.584SS**G310 helixtrans-80.6-11.5-178.2-68.9-19.7000115.4P346P346-N348 PolarHBondContact O-N 2.9Å
349Q47.7Very low53.8Low166 Ų166109.3 Ų109.378%0.77658%0.577SS**G310 helixtrans-117.433.2-175.6-75.1-151.361.100115.5P346P346-Q349 PolarHBondContact O-N 3.45Å
350M43.6Very low55.1Low105 Ų105106.3 Ų106.352%0.51757%0.571SS.*  trans-151.681.2168.5-115.9147.2170.300113.8V345 S352 K355V345-M350 HydrophobicContact CG1-SD 4.08Å; M350-S352 PolarHBondContact O-N 3.45Å; M350-K355 VanDerWaalsContact CE-NZ 3.29Å; M350-K355 HydrophobicContact SD-CD 4.29Å; M350-K355 PolarHBondContact SD-NZ 3.31Å
351K44.4Very low56.4Low225 Ų225110.2 Ų110.298%0.97858%0.576SS**  trans-71.347.3163.5-66.4-178.6177.9178.50112.3
352S49.6Very low57.6Low57 Ų57108.5 Ų108.540%0.39956%0.561SS.*  trans-117.1111.4174.1690000110M350 N354M350-S352 PolarHBondContact O-N 3.45Å; S352-N354 PolarHBondContact O-N 3.3Å
353S52.1Low58.9Low105 Ų105112 Ų11273%0.73458%0.575SS**THydrogen-bonded Turntrans-53.1-0.9-171.558.80000118
354N53.7Low60.6Low130 Ų130113.9 Ų113.970%0.69558%0.582SS**THydrogen-bonded Turntrans-107.7-2.1-169.5-61.4-13.4000113.7S352S352-N354 PolarHBondContact O-N 3.3Å
355K52.8Low62.3Low86 Ų86108.4 Ų108.437%0.37455%0.553SS.*SBendtrans-95.5-17.1178.9-77.8-173.7176.1-171.20115.3M350 I357 S358 H359M350-K355 VanDerWaalsContact CE-NZ 3.29Å; M350-K355 HydrophobicContact SD-CD 4.29Å; M350-K355 PolarHBondContact SD-NZ 3.31Å; K355-I357 VanDerWaalsContact C-N 3.33Å; K355-I357 PolarHBondContact O-N 3.39Å; K355-S358 PolarHBondContact O-N 3.5Å; K355-H359 PolarHBondContact O-N 3.13Å
356S57.3Low64.3Low68 Ų68107.3 Ų107.348%0.47655%0.547SS..Hα-helixtrans-62.1-41.2-179.5110.60000111.7S358 H359 D360S356-S358 PolarHBondContact O-N 3.02Å; S356-H359 WeakPolarHBondContact O-CA 3.36Å; S356-H359 WeakPolarHBondContact O-CB 3.4Å; S356-H359 PolarHBondContact O-N 3.06Å; S356-D360 PolarHBondContact O-N 3.32Å; S356-D360 VanDerWaalsContact O-OD2 3.12Å; S356-D360 PolarHBondContact OG-OD2 3.07Å
357I64.2Low66.5Low128 Ų128107 Ų10766%0.65654%0.543SS*.Hα-helixtrans-56.7-38.4-179.8-65.8158000112K355 W361K355-I357 VanDerWaalsContact C-N 3.33Å; K355-I357 PolarHBondContact O-N 3.39Å; I357-W361 WeakPolarHBondContact O-CB 3.36Å; I357-W361 PolarHBondContact O-N 2.99Å
358S68.7Low68.7Low47 Ų47102.5 Ų102.533%0.32952%0.524SS..Hα-helixtrans-74.3-31.6178.4-167.50000112.4K355 S356 Y362K355-S358 PolarHBondContact O-N 3.5Å; S356-S358 PolarHBondContact O-N 3.02Å; S358-Y362 WeakPolarHBondContact O-CB 3.38Å; S358-Y362 PolarHBondContact O-N 3.32Å
359H72.7Confident70.9Confident90 Ų90102.2 Ų102.242%0.41751%0.512SS..Hα-helixtrans-73.4-44.9177.5-170.273.2000111.3L343 K355 S356 W361 Y362 Q363L343-H359 VanDerWaalsContact CD2-ND1 3.27Å; L343-H359 WeakPolarHBondContact CD2-ND1 3.43Å; K355-H359 PolarHBondContact O-N 3.13Å; S356-H359 WeakPolarHBondContact O-CA 3.36Å; S356-H359 WeakPolarHBondContact O-CB 3.4Å; S356-H359 PolarHBondContact O-N 3.06Å; H359-W361 PolarHBondContact O-N 2.96Å; H359-Y362 PolarHBondContact O-N 3.22Å; H359-Q363 WeakPolarHBondContact O-CB 3.46Å; H359-Q363 PolarHBondContact O-N 2.83Å
360D79.5Confident73Confident84 Ų84101.4 Ų101.445%0.44951%0.506SS..Hα-helixtrans-62.4-44.6-179.8-60.6-29.7000110.9S356 Q363 E364S356-D360 PolarHBondContact O-N 3.32Å; S356-D360 VanDerWaalsContact O-OD2 3.12Å; S356-D360 PolarHBondContact OG-OD2 3.07Å; D360-Q363 PolarHBondContact O-N 3.1Å; D360-E364 PolarHBondContact O-N 3.44Å
361W83.5Confident75.5Confident148 Ų148102 Ų10256%0.56151%0.505SS*.Hα-helixtrans-65-42.1175.7-179.377.2000112.4I357 H359 Q363 E364 T365I357-W361 WeakPolarHBondContact O-CB 3.36Å; I357-W361 PolarHBondContact O-N 2.99Å; H359-W361 PolarHBondContact O-N 2.96Å; W361-Q363 VanDerWaalsContact C-N 3.33Å; W361-Q363 PolarHBondContact O-N 3.1Å; W361-E364 WeakPolarHBondContact O-CB 3.31Å; W361-E364 PolarHBondContact O-N 3.21Å; W361-T365 HydrophobicContact CD2-CG2 3.96Å; W361-T365 HydrophobicContact CE3-CG2 4.27Å; W361-T365 HydrophobicContact CH2-CG2 4Å; W361-T365 HydrophobicContact CZ2-CG2 3.65Å; W361-T365 HydrophobicContact CZ3-CG2 4.29Å; W361-T365 WeakPolarHBondContact O-CG2 3Å; W361-T365 PolarHBondContact O-N 2.94Å; W361-T365 PolarHBondContact O-OG1 3.22Å
362Y82.9Confident77.8Confident75 Ų7593.1 Ų93.129%0.29447%0.474SS..Hα-helixtrans-61.8-44.1175.8179.8-102.1000111L343 S358 H359 E364 T365 V366L343-Y362 HydrophobicContact CD1-CD1 4.12Å; L343-Y362 HydrophobicContact CD1-CE1 3.72Å; S358-Y362 WeakPolarHBondContact O-CB 3.38Å; S358-Y362 PolarHBondContact O-N 3.32Å; H359-Y362 PolarHBondContact O-N 3.22Å; Y362-E364 VanDerWaalsContact C-N 3.32Å; Y362-E364 PolarHBondContact O-N 2.84Å; Y362-T365 WeakPolarHBondContact CA-OG1 3.45Å; Y362-T365 PolarHBondContact O-N 3.45Å; Y362-T365 PolarHBondContact O-OG1 3.48Å; Y362-V366 HydrophobicContact CD1-CG2 4.06Å; Y362-V366 HydrophobicContact CE1-CG2 3.61Å; Y362-V366 HydrophobicContact CE2-CG2 4.11Å; Y362-V366 WeakPolarHBondContact O-CG2 3.49Å; Y362-V366 PolarHBondContact O-N 2.95Å
363Q85.8Confident79.9Confident116 Ų11693.6 Ų93.654%0.54247%0.472SS..Hα-helixtrans-59.1-43.3175.9-170.5178.11.200111.7H359 D360 W361 V366 V367H359-Q363 WeakPolarHBondContact O-CB 3.46Å; H359-Q363 PolarHBondContact O-N 2.83Å; D360-Q363 PolarHBondContact O-N 3.1Å; W361-Q363 VanDerWaalsContact C-N 3.33Å; W361-Q363 PolarHBondContact O-N 3.1Å; Q363-V366 PolarHBondContact O-N 3.23Å; Q363-V367 WeakPolarHBondContact O-CG2 3.43Å; Q363-V367 PolarHBondContact O-N 3.08Å
364E89.1Confident81.6Confident116 Ų11690.8 Ų90.854%0.54246%0.456SS..Hα-helixtrans-59.8-47.7174.2-173-178.1178.500111.7D360 W361 Y362 V366 V367 L368D360-E364 PolarHBondContact O-N 3.44Å; W361-E364 WeakPolarHBondContact O-CB 3.31Å; W361-E364 PolarHBondContact O-N 3.21Å; Y362-E364 VanDerWaalsContact C-N 3.32Å; Y362-E364 PolarHBondContact O-N 2.84Å; E364-V366 VanDerWaalsContact C-N 3.3Å; E364-V366 PolarHBondContact O-N 3.03Å; E364-V367 PolarHBondContact O-N 3.44Å; E364-V367 VanDerWaalsContact O-N 3.15Å; E364-L368 HydrophobicContact CG-CD1 4.24Å; E364-L368 WeakPolarHBondContact O-CG 3.42Å; E364-L368 PolarHBondContact O-N 3.4Å
365T89.6Confident83.3Confident30 Ų3089.9 Ų89.918%0.18444%0.443CS..Hα-helixtrans-62.7-36178.461.20000112.8W361 Y362 L368 R369W361-T365 HydrophobicContact CD2-CG2 3.96Å; W361-T365 HydrophobicContact CE3-CG2 4.27Å; W361-T365 HydrophobicContact CH2-CG2 4Å; W361-T365 HydrophobicContact CZ2-CG2 3.65Å; W361-T365 HydrophobicContact CZ3-CG2 4.29Å; W361-T365 WeakPolarHBondContact O-CG2 3Å; W361-T365 PolarHBondContact O-N 2.94Å; W361-T365 PolarHBondContact O-OG1 3.22Å; Y362-T365 WeakPolarHBondContact CA-OG1 3.45Å; Y362-T365 PolarHBondContact O-N 3.45Å; Y362-T365 PolarHBondContact O-OG1 3.48Å; T365-L368 PolarHBondContact O-N 3.22Å; T365-R369 WeakPolarHBondContact O-CB 2.98Å; T365-R369 PolarHBondContact O-N 3Å
366V91.2Very high84.8Confident38 Ų3892.2 Ų92.223%0.2345%0.45CS..Hα-helixtrans-65.3-42.4174.7170.80000110.8Y362 Q363 E364 R369 K370Y362-V366 HydrophobicContact CD1-CG2 4.06Å; Y362-V366 HydrophobicContact CE1-CG2 3.61Å; Y362-V366 HydrophobicContact CE2-CG2 4.11Å; Y362-V366 WeakPolarHBondContact O-CG2 3.49Å; Y362-V366 PolarHBondContact O-N 2.95Å; Q363-V366 PolarHBondContact O-N 3.23Å; E364-V366 VanDerWaalsContact C-N 3.3Å; E364-V366 PolarHBondContact O-N 3.03Å; V366-R369 PolarHBondContact O-N 2.85Å; V366-K370 HydrophobicContact CG1-CD 4.49Å; V366-K370 WeakPolarHBondContact O-CG 3.49Å; V366-K370 PolarHBondContact O-N 2.93Å
367V91.3Very high86.2Confident87 Ų8795.3 Ų95.353%0.52746%0.455SS..Hα-helixtrans-62.9-45.2175.6171.60000111Q363 E364 R369 K370 K371Q363-V367 WeakPolarHBondContact O-CG2 3.43Å; Q363-V367 PolarHBondContact O-N 3.08Å; E364-V367 PolarHBondContact O-N 3.44Å; E364-V367 VanDerWaalsContact O-N 3.15Å; V367-R369 PolarHBondContact O-N 3.33Å; V367-K370 PolarHBondContact O-N 2.86Å; V367-K371 WeakPolarHBondContact O-CB 3.4Å; V367-K371 PolarHBondContact O-N 2.71Å
368L95.5Very high87.1Confident97 Ų9795.8 Ų95.851%0.50845%0.448SS..Hα-helixtrans-62.5-41.1177.4-70.9173.5000112.1E364 T365 K371 A372E364-L368 HydrophobicContact CG-CD1 4.24Å; E364-L368 WeakPolarHBondContact O-CG 3.42Å; E364-L368 PolarHBondContact O-N 3.4Å; T365-L368 PolarHBondContact O-N 3.22Å; L368-K371 PolarHBondContact O-N 3.01Å; L368-A372 WeakPolarHBondContact O-CB 3.42Å; L368-A372 PolarHBondContact O-N 3.08Å
369R93.8Very high87.5Confident149 Ų14999 Ų9956%0.56246%0.461SS*.Hα-helixtrans-62.8-45.3176.2-171176.5-71.9140.6-2.3111.4T365 V366 V367 K371 A372 D373T365-R369 WeakPolarHBondContact O-CB 2.98Å; T365-R369 PolarHBondContact O-N 3Å; V366-R369 PolarHBondContact O-N 2.85Å; V367-R369 PolarHBondContact O-N 3.33Å; R369-K371 VanDerWaalsContact C-N 3.31Å; R369-K371 PolarHBondContact O-N 3.19Å; R369-A372 PolarHBondContact O-N 3.31Å; R369-D373 PolarHBondContact O-N 3.26Å
370K92.8Very high87.7Confident149 Ų149104.7 Ų104.765%0.64848%0.48SS*.Hα-helixtrans-59-41.6174.2-73.8179.1179.3-178.30112V366 V367 D373 A374V366-K370 HydrophobicContact CG1-CD 4.49Å; V366-K370 WeakPolarHBondContact O-CG 3.49Å; V366-K370 PolarHBondContact O-N 2.93Å; V367-K370 PolarHBondContact O-N 2.86Å; K370-D373 PolarHBondContact O-N 3.11Å; K370-A374 PolarHBondContact O-N 3.24Å
371K94.9Very high87.6Confident116 Ų116107.6 Ų107.650%0.50449%0.49SS..Hα-helixtrans-65.5-43.5178-166.8180178.1178.70111.7V367 L368 R369 D373 A374 Y375V367-K371 WeakPolarHBondContact O-CB 3.4Å; V367-K371 PolarHBondContact O-N 2.71Å; L368-K371 PolarHBondContact O-N 3.01Å; R369-K371 VanDerWaalsContact C-N 3.31Å; R369-K371 PolarHBondContact O-N 3.19Å; K371-D373 VanDerWaalsContact C-N 3.35Å; K371-D373 PolarHBondContact O-N 2.97Å; K371-A374 WeakPolarHBondContact O-CB 3.3Å; K371-A374 PolarHBondContact O-N 3.29Å; K371-Y375 HydrophobicContact CD-CE2 4.09Å; K371-Y375 WeakPolarHBondContact CE-OH 3.43Å; K371-Y375 HydrophobicContact CG-CD2 4.23Å; K371-Y375 HydrophobicContact CG-CE2 3.6Å; K371-Y375 WeakPolarHBondContact O-CD2 3.46Å; K371-Y375 PolarHBondContact O-N 3.48Å
372A93.7Very high87.4Confident40 Ų40102.6 Ų102.633%0.33148%0.478SS..Hα-helixtrans-62.4-40.1175.700000112.4L368 R369 A374 Y375 R376L368-A372 WeakPolarHBondContact O-CB 3.42Å; L368-A372 PolarHBondContact O-N 3.08Å; R369-A372 PolarHBondContact O-N 3.31Å; A372-A374 VanDerWaalsContact C-N 3.34Å; A372-Y375 PolarHBondContact O-N 3.01Å; A372-R376 PolarHBondContact O-N 3.46Å
373D92.1Very high87Confident66 Ų66107.6 Ų107.635%0.35350%0.503SS..Hα-helixtrans-68.8-33.7176.4-67.6-21.5000112.2R369 K370 K371 R376 K377R369-D373 PolarHBondContact O-N 3.26Å; K370-D373 PolarHBondContact O-N 3.11Å; K371-D373 VanDerWaalsContact C-N 3.35Å; K371-D373 PolarHBondContact O-N 2.97Å; D373-R376 PolarHBondContact O-N 2.88Å; D373-R376 IonicContact OD1-CZ 3.1Å; D373-R376 IonicContact OD1-NE 3.76Å; D373-R376 PolarHBondContact OD1-NE 3.23Å; D373-R376 IonicContact OD1-NH2 3.65Å; D373-R376 PolarHBondContact OD1-NH2 2.94Å; D373-K377 WeakPolarHBondContact O-CG 3.09Å; D373-K377 PolarHBondContact O-N 3.31Å
374A89Confident86.7Confident47 Ų47107.6 Ų107.639%0.38850%0.502SS..Hα-helixtrans-65.1-39171.800000112.5K370 K371 A372 K377 R378K370-A374 PolarHBondContact O-N 3.24Å; K371-A374 WeakPolarHBondContact O-CB 3.3Å; K371-A374 PolarHBondContact O-N 3.29Å; A372-A374 VanDerWaalsContact C-N 3.34Å; A374-K377 PolarHBondContact O-N 2.72Å; A374-R378 PolarHBondContact O-N 3.32Å; A374-R378 VanDerWaalsContact O-N 3.09Å
375Y88.5Confident86.3Confident111 Ų111104.5 Ų104.544%0.43549%0.493SS..Hα-helixtrans-62.6-46.7171.8-70.5-58.7000111.4K371 A372 K377 R378 D379K371-Y375 HydrophobicContact CD-CE2 4.09Å; K371-Y375 WeakPolarHBondContact CE-OH 3.43Å; K371-Y375 HydrophobicContact CG-CD2 4.23Å; K371-Y375 HydrophobicContact CG-CE2 3.6Å; K371-Y375 WeakPolarHBondContact O-CD2 3.46Å; K371-Y375 PolarHBondContact O-N 3.48Å; A372-Y375 PolarHBondContact O-N 3.01Å; Y375-K377 VanDerWaalsContact C-N 3.29Å; Y375-K377 PolarHBondContact O-N 3.01Å; Y375-R378 PolarHBondContact O-N 3Å; Y375-R378 VanDerWaalsContact O-N 3.15Å; Y375-D379 VanDerWaalsContact O-CG 3.3Å; Y375-D379 PolarHBondContact O-N 3.43Å
376R85.4Confident85.8Confident134 Ų134114 Ų11451%0.50653%0.526SS..Hα-helixtrans-60.7-35.2177.1-76.8-170.1-85.4-146.5-0.4113.6A372 D373 R380A372-R376 PolarHBondContact O-N 3.46Å; D373-R376 PolarHBondContact O-N 2.88Å; D373-R376 IonicContact OD1-CZ 3.1Å; D373-R376 IonicContact OD1-NE 3.76Å; D373-R376 PolarHBondContact OD1-NE 3.23Å; D373-R376 IonicContact OD1-NH2 3.65Å; D373-R376 PolarHBondContact OD1-NH2 2.94Å; R376-R380 WeakPolarHBondContact O-CB 3.42Å; R376-R380 WeakPolarHBondContact O-CG 3.29Å; R376-R380 PolarHBondContact O-N 3.32Å; R376-R380 VanDerWaalsContact O-N 3.1Å
377K85.7Confident85.5Confident134 Ų134118.5 Ų118.558%0.58354%0.544SS*.Hα-helixtrans-66.3-47.9173.7-75.8-177.8179.8-173.80111.4D373 A374 Y375 D379 R380 E381D373-K377 WeakPolarHBondContact O-CG 3.09Å; D373-K377 PolarHBondContact O-N 3.31Å; A374-K377 PolarHBondContact O-N 2.72Å; Y375-K377 VanDerWaalsContact C-N 3.29Å; Y375-K377 PolarHBondContact O-N 3.01Å; K377-D379 VanDerWaalsContact C-N 3.32Å; K377-D379 PolarHBondContact O-N 2.91Å; K377-R380 PolarHBondContact O-N 3.03Å; K377-E381 WeakPolarHBondContact O-CB 3.48Å; K377-E381 VanDerWaalsContact O-CG 3.31Å; K377-E381 WeakPolarHBondContact O-CG 3.39Å; K377-E381 PolarHBondContact O-N 3.02Å
378R83.2Confident85.2Confident137 Ų137118.5 Ų118.552%0.51754%0.538SS..Hα-helixtrans-59.8-42.3177.4-167.4-175.5-57.6100.31.6112.1A374 Y375 R380 E381 S382A374-R378 PolarHBondContact O-N 3.32Å; A374-R378 VanDerWaalsContact O-N 3.09Å; Y375-R378 PolarHBondContact O-N 3Å; Y375-R378 VanDerWaalsContact O-N 3.15Å; R378-R380 VanDerWaalsContact C-N 3.32Å; R378-R380 PolarHBondContact O-N 3.5Å; R378-E381 PolarHBondContact O-N 3.27Å; R378-S382 WeakPolarHBondContact O-CB 3.38Å; R378-S382 PolarHBondContact O-N 3.15Å
379D77.1Confident84.7Confident114 Ų114117.5 Ų117.561%0.6153%0.533SS*.Hα-helixtrans-68-33.4178.9-66.6-7.6000112Y375 K377Y375-D379 VanDerWaalsContact O-CG 3.3Å; Y375-D379 PolarHBondContact O-N 3.43Å; K377-D379 VanDerWaalsContact C-N 3.32Å; K377-D379 PolarHBondContact O-N 2.91Å
380R77.5Confident84.3Confident211 Ų211113 Ų11380%0.79653%0.528SS*.Hα-helixtrans-74-31.6174-75.5173.9178.4174.8-0.9113R376 K377 R378R376-R380 WeakPolarHBondContact O-CB 3.42Å; R376-R380 WeakPolarHBondContact O-CG 3.29Å; R376-R380 PolarHBondContact O-N 3.32Å; R376-R380 VanDerWaalsContact O-N 3.1Å; K377-R380 PolarHBondContact O-N 3.03Å; R378-R380 VanDerWaalsContact C-N 3.32Å; R378-R380 PolarHBondContact O-N 3.5Å
381E77.1Confident84Confident144 Ų144109.9 Ų109.967%0.67352%0.515SS*.Hα-helixtrans-82.4-22.1177.1-71167.8-161.700112.2K377 R378 H383K377-E381 WeakPolarHBondContact O-CB 3.48Å; K377-E381 VanDerWaalsContact O-CG 3.31Å; K377-E381 WeakPolarHBondContact O-CG 3.39Å; K377-E381 PolarHBondContact O-N 3.02Å; R378-E381 PolarHBondContact O-N 3.27Å; E381-H383 PolarHBondContact O-N 3.24Å
382S78.4Confident83.4Confident43 Ų43109.5 Ų109.530%0.30152%0.518SS..  trans-72.2118174.1-179.90000110.4R378 F384R378-S382 WeakPolarHBondContact O-CB 3.38Å; R378-S382 PolarHBondContact O-N 3.15Å; S382-F384 PolarHBondContact O-N 2.99Å; S382-F384 PolarHBondContact OG-N 2.77Å
383H75.8Confident82.9Confident180 Ų180115.4 Ų115.483%0.83354%0.539SS*.  trans-74.1-6.9170.5-62.4-61.7000113.2E381 S385E381-H383 PolarHBondContact O-N 3.24Å; H383-S385 PolarHBondContact O-N 3.26Å
384F79.9Confident82.7Confident117 Ų117114 Ų11451%0.51353%0.534SS..  trans-81.8117.9176.3-60.3-75.5000109.5S382 H388 L389 L392S382-F384 PolarHBondContact O-N 2.99Å; S382-F384 PolarHBondContact OG-N 2.77Å; F384-H388 HydrophobicContact CB-CB 4.17Å; F384-H388 HydrophobicContact CD1-CB 4.03Å; F384-L389 HydrophobicContact CB-CD2 3.82Å; F384-L389 HydrophobicContact CB-CG 3.92Å; F384-L389 HydrophobicContact CG-CD2 4.23Å; F384-L392 HydrophobicContact CD1-CD1 4.49Å; F384-L392 HydrophobicContact CE1-CD1 4.43Å
385S80.2Confident82.4Confident51 Ų51118.5 Ų118.536%0.35755%0.552SS.*  trans-62.4160.416673.40000109.1H383 E387 H388 L389H383-S385 PolarHBondContact O-N 3.26Å; S385-E387 PolarHBondContact O-N 2.82Å; S385-E387 PolarHBondContact OG-N 3.29Å; S385-H388 PolarHBondContact N-ND1 3.48Å; S385-H388 PolarHBondContact O-N 2.89Å; S385-H388 VanDerWaalsContact OG-CG 3.28Å; S385-H388 PolarHBondContact OG-N 2.99Å; S385-H388 PolarHBondContact OG-ND1 3.39Å; S385-L389 PolarHBondContact O-N 3.37Å; S385-L389 VanDerWaalsContact O-N 3.13Å
386R79.8Confident82Confident230 Ų230121.2 Ų121.287%0.86856%0.563SS**Hα-helixtrans-55.5-33.9172.4-173.5174.4-178.9-175.6-1.1111.9A390R386-A390 PolarHBondContact O-N 3.36Å; R386-A390 VanDerWaalsContact O-N 3.1Å
387E83.8Confident81.7Confident132 Ų132117 Ų11762%0.61755%0.552SS**Hα-helixtrans-66.3-43.9175.6-160.385.2-168.700111.7S385 L389 A390 Q391S385-E387 PolarHBondContact O-N 2.82Å; S385-E387 PolarHBondContact OG-N 3.29Å; E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 2.88Å; E387-A390 WeakPolarHBondContact O-CB 3.32Å; E387-A390 PolarHBondContact O-N 3.28Å; E387-A390 VanDerWaalsContact O-N 3.14Å; E387-Q391 WeakPolarHBondContact O-CG 3.5Å; E387-Q391 PolarHBondContact O-N 3.37Å
388H84.6Confident81.3Confident87 Ų87117 Ų11740%0.40356%0.558SS.*Hα-helixtrans-61.8-41.2178.1-67.9151000111.6F384 S385 A390 Q391 L392F384-H388 HydrophobicContact CB-CB 4.17Å; F384-H388 HydrophobicContact CD1-CB 4.03Å; S385-H388 PolarHBondContact N-ND1 3.48Å; S385-H388 PolarHBondContact O-N 2.89Å; S385-H388 VanDerWaalsContact OG-CG 3.28Å; S385-H388 PolarHBondContact OG-N 2.99Å; S385-H388 PolarHBondContact OG-ND1 3.39Å; H388-A390 VanDerWaalsContact C-N 3.33Å; H388-Q391 PolarHBondContact O-N 3.1Å; H388-L392 WeakPolarHBondContact O-CG 3.43Å; H388-L392 PolarHBondContact O-N 3.17Å
389L84.6Confident81Confident76 Ų76117.2 Ų117.240%0.39857%0.565SS.*Hα-helixtrans-64.3-40.3174.9-65.7177.2000111.4F384 S385 E387 Q391 L392 E393F384-L389 HydrophobicContact CB-CD2 3.82Å; F384-L389 HydrophobicContact CB-CG 3.92Å; F384-L389 HydrophobicContact CG-CD2 4.23Å; S385-L389 PolarHBondContact O-N 3.37Å; S385-L389 VanDerWaalsContact O-N 3.13Å; E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 2.88Å; L389-Q391 VanDerWaalsContact C-N 3.32Å; L389-Q391 PolarHBondContact O-N 3.37Å; L389-L392 PolarHBondContact O-N 2.88Å; L389-E393 WeakPolarHBondContact O-CG 3.44Å; L389-E393 PolarHBondContact O-N 3.39Å
390A85.6Confident81.1Confident55 Ų55120.5 Ų120.546%0.45557%0.569SS.*Hα-helixtrans-65-34.6176.100000112.8R386 E387 H388 E393 S394R386-A390 PolarHBondContact O-N 3.36Å; R386-A390 VanDerWaalsContact O-N 3.1Å; E387-A390 WeakPolarHBondContact O-CB 3.32Å; E387-A390 PolarHBondContact O-N 3.28Å; E387-A390 VanDerWaalsContact O-N 3.14Å; H388-A390 VanDerWaalsContact C-N 3.33Å; A390-E393 PolarHBondContact O-N 2.94Å; A390-S394 PolarHBondContact O-N 2.77Å
391Q86.8Confident81Confident82 Ų82116.3 Ų116.338%0.38356%0.562SS.*Hα-helixtrans-65.4-42.1173.4-72172.8100111.3E387 H388 L389 E393 S394 V397E387-Q391 WeakPolarHBondContact O-CG 3.5Å; E387-Q391 PolarHBondContact O-N 3.37Å; H388-Q391 PolarHBondContact O-N 3.1Å; L389-Q391 VanDerWaalsContact C-N 3.32Å; L389-Q391 PolarHBondContact O-N 3.37Å; Q391-E393 VanDerWaalsContact C-N 3.31Å; Q391-E393 PolarHBondContact O-N 3.42Å; Q391-S394 WeakPolarHBondContact O-CB 3.46Å; Q391-S394 PolarHBondContact O-N 3.33Å; Q391-S394 PolarHBondContact O-OG 3.25Å; Q391-V397 WeakPolarHBondContact O-CG2 3.35Å
392L83.4Confident80.7Confident108 Ų108113.5 Ų113.557%0.56556%0.556SS**Hα-helixtrans-69.6-24.9176.2-68.8173.8000113.6F384 H388 L389 S394 V397F384-L392 HydrophobicContact CD1-CD1 4.49Å; F384-L392 HydrophobicContact CE1-CD1 4.43Å; H388-L392 WeakPolarHBondContact O-CG 3.43Å; H388-L392 PolarHBondContact O-N 3.17Å; L389-L392 PolarHBondContact O-N 2.88Å; L392-S394 VanDerWaalsContact C-N 3.33Å; L392-V397 WeakPolarHBondContact O-CG2 3.29Å
393E82.8Confident80.4Confident164 Ų164114.2 Ų114.277%0.76656%0.56SS**THydrogen-bonded Turntrans-86.8-4.1173.9-72.2177.917900113L389 A390 Q391L389-E393 WeakPolarHBondContact O-CG 3.44Å; L389-E393 PolarHBondContact O-N 3.39Å; A390-E393 PolarHBondContact O-N 2.94Å; Q391-E393 VanDerWaalsContact C-N 3.31Å; Q391-E393 PolarHBondContact O-N 3.42Å
394S87Confident80.3Confident36 Ų36111.5 Ų111.525%0.25256%0.561SS.*SBendtrans-79.2145.6-176.676.30000112.4A390 Q391 L392 Y396 V397A390-S394 PolarHBondContact O-N 2.77Å; Q391-S394 WeakPolarHBondContact O-CB 3.46Å; Q391-S394 PolarHBondContact O-N 3.33Å; Q391-S394 PolarHBondContact O-OG 3.25Å; L392-S394 VanDerWaalsContact C-N 3.33Å; S394-Y396 PolarHBondContact O-N 3.06Å; S394-V397 WeakPolarHBondContact O-CB 3.37Å; S394-V397 VanDerWaalsContact O-CG2 3.29Å; S394-V397 WeakPolarHBondContact O-CG2 3.35Å; S394-V397 PolarHBondContact O-N 2.82Å
395D83.1Confident80.2Confident143 Ų143111.3 Ų111.377%0.76557%0.566SS**THydrogen-bonded Turntrans-60.1-12.7171.1-59.9-18.4000112.7V397D395-V397 VanDerWaalsContact C-N 3.3Å
396Y79.9Confident80.1Confident167 Ų167115.7 Ų115.766%0.65559%0.585SS**THydrogen-bonded Turntrans-77.2-13.9176.7-64.2-72.6000113.1S394 D398 H399S394-Y396 PolarHBondContact O-N 3.06Å; Y396-D398 PolarHBondContact O-N 3.13Å; Y396-H399 WeakPolarHBondContact O-CB 3.47Å; Y396-H399 PolarHBondContact O-N 2.98Å; Y396-H399 PolarHBondContact O-ND1 3.12Å
397V80.5Confident80.2Confident46 Ų46109.5 Ų109.528%0.27957%0.569SS.*G310 helixtrans-55.1-37.2177.4173.10000111.6Q391 L392 S394 D395 H399 W400Q391-V397 WeakPolarHBondContact O-CG2 3.35Å; L392-V397 WeakPolarHBondContact O-CG2 3.29Å; S394-V397 WeakPolarHBondContact O-CB 3.37Å; S394-V397 VanDerWaalsContact O-CG2 3.29Å; S394-V397 WeakPolarHBondContact O-CG2 3.35Å; S394-V397 PolarHBondContact O-N 2.82Å; D395-V397 VanDerWaalsContact C-N 3.3Å; V397-H399 PolarHBondContact O-N 3.41Å; V397-W400 WeakPolarHBondContact O-CB 3.43Å; V397-W400 PolarHBondContact O-N 3.15Å
398D77.3Confident79.8Confident133 Ų133107.9 Ų107.971%0.71156%0.558SS**G310 helixtrans-60.9-13.3176.8-67.9-8.8000113.8Y396Y396-D398 PolarHBondContact O-N 3.13Å
399H76Confident79.6Confident143 Ų143107.9 Ų107.966%0.66256%0.56SS**G310 helixtrans-98-6.7177.8-55.173.1000113.1Y396 V397Y396-H399 WeakPolarHBondContact O-CB 3.47Å; Y396-H399 PolarHBondContact O-N 2.98Å; Y396-H399 PolarHBondContact O-ND1 3.12Å; V397-H399 PolarHBondContact O-N 3.41Å
400W78.2Confident79.4Confident183 Ų183110.7 Ų110.769%0.69357%0.57SS**THydrogen-bonded Turntrans-78.3-38.7178.2-70.657.2000110.7V397V397-W400 WeakPolarHBondContact O-CB 3.43Å; V397-W400 PolarHBondContact O-N 3.15Å
401D77.1Confident79.3Confident122 Ų122112.1 Ų112.165%0.65257%0.57SS**SBendtrans-90.8132.4172.2-68.9-27.4000109.1
402P70Confident79.1Confident85 Ų85110.6 Ų110.655%0.55257%0.565SS**PPolyproline II helixtrans-60.2129.7171.824.8-30.9000108.4S404 Y408P402-S404 PolarHBondContact O-N 3.25Å; P402-Y408 HydrophobicContact CB-CD1 4.39Å; P402-Y408 HydrophobicContact CB-CE1 3.73Å
403P72.5Confident79.1Confident58 Ų58111 Ų11138%0.37756%0.564SS.*PPolyproline II helixtrans-60.4137.617923.6-32000109.5D405 Y408P403-D405 PolarHBondContact O-N 3.13Å; P403-Y408 HydrophobicContact CG-CD1 3.93Å; P403-Y408 HydrophobicContact CG-CD2 3.61Å; P403-Y408 HydrophobicContact CG-CE1 4.38Å; P403-Y408 HydrophobicContact CG-CE2 4.09Å; P403-Y408 HydrophobicContact CG-CG 3.52Å
404S72.3Confident79.2Confident124 Ų124109.6 Ų109.687%0.86756%0.555SS**  trans-69.313.3178.5-53.20000114.1P402P402-S404 PolarHBondContact O-N 3.25Å
405D79.5Confident79.1Confident113 Ų113115.1 Ų115.160%0.60457%0.572SS**  trans-77.2124.6179.8-82-18000110P403 N407 Y408 M409P403-D405 PolarHBondContact O-N 3.13Å; D405-N407 PolarHBondContact O-N 3.49Å; D405-N407 VanDerWaalsContact O-N 3.1Å; D405-Y408 WeakPolarHBondContact O-CA 3.46Å; D405-Y408 VanDerWaalsContact O-CB 3.3Å; D405-Y408 WeakPolarHBondContact O-CB 3.49Å; D405-Y408 PolarHBondContact O-N 2.97Å; D405-M409 PolarHBondContact O-N 3.29Å
406D78.1Confident79.1Confident143 Ų143116 Ų11677%0.76556%0.564SS**Hα-helixtrans-53.9-33.7176.1-68-30.8000112.1Y408 M409 E410D406-Y408 VanDerWaalsContact C-N 3.33Å; D406-Y408 PolarHBondContact O-N 3.45Å; D406-M409 WeakPolarHBondContact O-CB 3.4Å; D406-M409 PolarHBondContact O-N 3.49Å; D406-E410 PolarHBondContact O-N 2.86Å
407N80Confident79.4Confident100 Ų100114.2 Ų114.254%0.53556%0.562SS.*Hα-helixtrans-65.5-33.6175.6-171.48.2000112.3D405 N411D405-N407 PolarHBondContact O-N 3.49Å; D405-N407 VanDerWaalsContact O-N 3.1Å; N407-N411 WeakPolarHBondContact O-CB 3.22Å; N407-N411 VanDerWaalsContact O-CG 3.31Å; N407-N411 PolarHBondContact O-N 3.38Å; N407-N411 PolarHBondContact O-ND2 2.88Å; N407-N411 PolarHBondContact OD1-ND2 3.17Å
408Y77.4Confident79.4Confident97 Ų97116.4 Ų116.438%0.3858%0.575SS.*Hα-helixtrans-65.7-43.3173.6179-99.3000110.6P402 P403 D405 D406 N411 L412P402-Y408 HydrophobicContact CB-CD1 4.39Å; P402-Y408 HydrophobicContact CB-CE1 3.73Å; P403-Y408 HydrophobicContact CG-CD1 3.93Å; P403-Y408 HydrophobicContact CG-CD2 3.61Å; P403-Y408 HydrophobicContact CG-CE1 4.38Å; P403-Y408 HydrophobicContact CG-CE2 4.09Å; P403-Y408 HydrophobicContact CG-CG 3.52Å; D405-Y408 WeakPolarHBondContact O-CA 3.46Å; D405-Y408 VanDerWaalsContact O-CB 3.3Å; D405-Y408 WeakPolarHBondContact O-CB 3.49Å; D405-Y408 PolarHBondContact O-N 2.97Å; D406-Y408 VanDerWaalsContact C-N 3.33Å; D406-Y408 PolarHBondContact O-N 3.45Å; Y408-N411 PolarHBondContact O-N 3.2Å; Y408-L412 HydrophobicContact CD1-CD1 4.38Å; Y408-L412 HydrophobicContact CE1-CD1 3.63Å; Y408-L412 WeakPolarHBondContact O-CB 3.34Å; Y408-L412 PolarHBondContact O-N 2.87Å
409M78.5Confident79.5Confident88 Ų88115.7 Ų115.743%0.43357%0.57SS.*Hα-helixtrans-62.2-44.3176.5-69.9-58.5-60.100112.2D405 D406 N411 L412 E413D405-M409 PolarHBondContact O-N 3.29Å; D406-M409 WeakPolarHBondContact O-CB 3.4Å; D406-M409 PolarHBondContact O-N 3.49Å; M409-N411 PolarHBondContact O-N 2.92Å; M409-L412 PolarHBondContact O-N 3.4Å; M409-E413 PolarHBondContact O-N 3.15Å
410E82.3Confident79.7Confident134 Ų134116.6 Ų116.663%0.62658%0.575SS**Hα-helixtrans-62.3-43176.4-169179.5-177.900111.8D406 L412 E413 K414D406-E410 PolarHBondContact O-N 2.86Å; E410-L412 VanDerWaalsContact C-N 3.32Å; E410-L412 PolarHBondContact O-N 3.14Å; E410-E413 PolarHBondContact O-N 3.35Å; E410-K414 WeakPolarHBondContact O-CB 3.27Å; E410-K414 PolarHBondContact O-N 3.28Å
411N83.3Confident79.6Confident85 Ų85113.8 Ų113.846%0.45557%0.571SS.*Hα-helixtrans-65.3-35175.1-76.1-50.5000112.6N407 Y408 M409 Y415N407-N411 WeakPolarHBondContact O-CB 3.22Å; N407-N411 VanDerWaalsContact O-CG 3.31Å; N407-N411 PolarHBondContact O-N 3.38Å; N407-N411 PolarHBondContact O-ND2 2.88Å; N407-N411 PolarHBondContact OD1-ND2 3.17Å; Y408-N411 PolarHBondContact O-N 3.2Å; M409-N411 PolarHBondContact O-N 2.92Å; N411-Y415 WeakPolarHBondContact O-CB 3.36Å; N411-Y415 PolarHBondContact O-N 3.06Å
412L81.3Confident79.2Confident51 Ų51110.9 Ų110.927%0.26756%0.559SS.*Hα-helixtrans-69.5-41.4177.3-151.3165.9000110.7Y408 M409 E410 Y415 R416Y408-L412 HydrophobicContact CD1-CD1 4.38Å; Y408-L412 HydrophobicContact CE1-CD1 3.63Å; Y408-L412 WeakPolarHBondContact O-CB 3.34Å; Y408-L412 PolarHBondContact O-N 2.87Å; M409-L412 PolarHBondContact O-N 3.4Å; E410-L412 VanDerWaalsContact C-N 3.32Å; E410-L412 PolarHBondContact O-N 3.14Å; L412-Y415 PolarHBondContact O-N 3.18Å; L412-R416 HydrophobicContact CD2-CG 4.13Å; L412-R416 WeakPolarHBondContact O-CG 3.44Å; L412-R416 PolarHBondContact O-N 3.11Å
413E83.5Confident79.4Confident116 Ų116116.4 Ų116.454%0.54257%0.569SS.*Hα-helixtrans-61.4-46.6173-74.6-175.1171.400111.5M409 E410 Y415 R416 E417M409-E413 PolarHBondContact O-N 3.15Å; E410-E413 PolarHBondContact O-N 3.35Å; E413-Y415 VanDerWaalsContact C-N 3.32Å; E413-Y415 PolarHBondContact O-N 3.44Å; E413-R416 WeakPolarHBondContact O-CB 3.3Å; E413-R416 PolarHBondContact O-N 2.86Å; E413-R416 VanDerWaalsContact O-N 3.15Å; E413-E417 PolarHBondContact O-N 3.29Å
414K86.1Confident79.4Confident135 Ų135118.6 Ų118.659%0.58759%0.592SS**Hα-helixtrans-59.8-40.8174.3-173.3177.5-177.7177.60112.4E410 E417 V418E410-K414 WeakPolarHBondContact O-CB 3.27Å; E410-K414 PolarHBondContact O-N 3.28Å; K414-E417 PolarHBondContact O-N 3.16Å; K414-V418 VanDerWaalsContact O-CG2 3.29Å; K414-V418 WeakPolarHBondContact O-CG2 3.46Å; K414-V418 PolarHBondContact O-N 3.39Å
415Y84.2Confident79.3Confident152 Ų152116.8 Ų116.860%0.59659%0.593SS**Hα-helixtrans-65.3-39.8176.2-172.3-99.8000111.8N411 L412 E413 V418 L419N411-Y415 WeakPolarHBondContact O-CB 3.36Å; N411-Y415 PolarHBondContact O-N 3.06Å; L412-Y415 PolarHBondContact O-N 3.18Å; E413-Y415 VanDerWaalsContact C-N 3.32Å; E413-Y415 PolarHBondContact O-N 3.44Å; Y415-V418 PolarHBondContact O-N 3.35Å; Y415-L419 HydrophobicContact CD1-CD1 3.85Å; Y415-L419 HydrophobicContact CD1-CG 4.35Å; Y415-L419 HydrophobicContact CE1-CD1 3.43Å; Y415-L419 VanDerWaalsContact CE1-CD1 3.43Å; Y415-L419 HydrophobicContact CE1-CG 4.05Å; Y415-L419 WeakPolarHBondContact O-CG 3.2Å; Y415-L419 PolarHBondContact O-N 3.46Å
416R84Confident78.3Confident162 Ų162118.3 Ų118.361%0.61159%0.594SS**Hα-helixtrans-64.1-42.5173.5-75.5-171.3-171.2-148.14.9112.2L412 E413 V418 L419 Q420L412-R416 HydrophobicContact CD2-CG 4.13Å; L412-R416 WeakPolarHBondContact O-CG 3.44Å; L412-R416 PolarHBondContact O-N 3.11Å; E413-R416 WeakPolarHBondContact O-CB 3.3Å; E413-R416 PolarHBondContact O-N 2.86Å; E413-R416 VanDerWaalsContact O-N 3.15Å; R416-V418 VanDerWaalsContact C-N 3.35Å; R416-L419 PolarHBondContact O-N 3.27Å; R416-Q420 WeakPolarHBondContact O-CG 3.49Å; R416-Q420 PolarHBondContact O-N 3.11Å
417E86Confident77.2Confident128 Ų128116.7 Ų116.760%0.59859%0.591SS**Hα-helixtrans-59.4-47.2176.4-173.5-179.4-166.100110.6E413 K414 L419 Q420 M421E413-E417 PolarHBondContact O-N 3.29Å; K414-E417 PolarHBondContact O-N 3.16Å; E417-L419 VanDerWaalsContact C-N 3.27Å; E417-L419 PolarHBondContact O-N 3.47Å; E417-Q420 CarbonylContact O-C 3.37Å; E417-Q420 PolarHBondContact O-N 3.06Å; E417-M421 WeakPolarHBondContact O-CG 3.49Å; E417-M421 PolarHBondContact O-N 2.9Å
418V80.9Confident76.2Confident93 Ų93116.2 Ų116.256%0.56460%0.596SS**Hα-helixtrans-60.3-36.1176.4172.20000112.3K414 Y415 R416 M421K414-V418 VanDerWaalsContact O-CG2 3.29Å; K414-V418 WeakPolarHBondContact O-CG2 3.46Å; K414-V418 PolarHBondContact O-N 3.39Å; Y415-V418 PolarHBondContact O-N 3.35Å; R416-V418 VanDerWaalsContact C-N 3.35Å; V418-M421 PolarHBondContact O-N 2.85Å
419L78Confident74.9Confident117 Ų117117.4 Ų117.461%0.61361%0.613SS**Hα-helixtrans-73.3-27.4175.1-72.4-179.8000113.4Y415 R416 E417Y415-L419 HydrophobicContact CD1-CD1 3.85Å; Y415-L419 HydrophobicContact CD1-CG 4.35Å; Y415-L419 HydrophobicContact CE1-CD1 3.43Å; Y415-L419 VanDerWaalsContact CE1-CD1 3.43Å; Y415-L419 HydrophobicContact CE1-CG 4.05Å; Y415-L419 WeakPolarHBondContact O-CG 3.2Å; Y415-L419 PolarHBondContact O-N 3.46Å; R416-L419 PolarHBondContact O-N 3.27Å; E417-L419 VanDerWaalsContact C-N 3.27Å; E417-L419 PolarHBondContact O-N 3.47Å
420Q80.7Confident73.4Confident163 Ų163119.8 Ų119.876%0.76263%0.628SS**Hα-helixtrans-79.1-20.7173.9-731791.900112.5R416 E417R416-Q420 WeakPolarHBondContact O-CG 3.49Å; R416-Q420 PolarHBondContact O-N 3.11Å; E417-Q420 CarbonylContact O-C 3.37Å; E417-Q420 PolarHBondContact O-N 3.06Å
421M77Confident71.6Confident123 Ų123121.2 Ų121.261%0.60664%0.639SS**SBendtrans-62.6133.3175.2-71.4-63.3-74.200110.7E417 V418 R423E417-M421 WeakPolarHBondContact O-CG 3.49Å; E417-M421 PolarHBondContact O-N 2.9Å; V418-M421 PolarHBondContact O-N 2.85Å; M421-R423 PolarHBondContact O-N 2.9Å
422P68.4Low69.8Low62 Ų62123.9 Ų123.940%0.40365%0.652SS.*PPolyproline II helixtrans-59.6141.4176.124-32000110.1A424 K426P422-A424 PolarHBondContact O-N 2.74Å; P422-K426 HydrophobicContact CB-CB 4.44Å
423R74.5Confident67.8Low200 Ų200130.3 Ų130.376%0.75568%0.678SS**PPolyproline II helixtrans-51.1132.1178.1-164177.5-173.3177.54.5110.2M421 G425 K426M421-R423 PolarHBondContact O-N 2.9Å; R423-G425 PolarHBondContact O-N 3.15Å; R423-K426 PolarHBondContact O-N 3.09Å; R423-K426 VanDerWaalsContact O-N 3.08Å
424A70.7Confident65.9Low105 Ų105129.4 Ų129.487%0.86868%0.677SS**THydrogen-bonded Turntrans-43.4125.7-17800000112.2P422P422-A424 PolarHBondContact O-N 2.74Å
425G71.3Confident64.4Low85 Ų85127.8 Ų127.888%0.87668%0.68SS**THydrogen-bonded Turntrans96.8-3.5-178.600000115.6R423R423-G425 PolarHBondContact O-N 3.15Å
426K59.2Low62.7Low145 Ų145127.9 Ų127.963%0.6369%0.691SS**SBendtrans-94.6130.6165.3-63.5-175177.6-1710108.8P422 R423 S428P422-K426 HydrophobicContact CB-CB 4.44Å; R423-K426 PolarHBondContact O-N 3.09Å; R423-K426 VanDerWaalsContact O-N 3.08Å; K426-S428 PolarHBondContact O-N 3.3Å
427P53.8Low61Low109 Ų109127 Ų12771%0.70869%0.693SS**  trans-56.9141.9172.225.4-32.1000108.5T429P427-T429 VanDerWaalsContact C-N 3.3Å; P427-T429 PolarHBondContact O-N 3.44Å
428S58.4Low59Low90 Ų90124.5 Ų124.563%0.62970%0.695SS**  trans-57.6101.7164.648.60000106.2K426 D430K426-S428 PolarHBondContact O-N 3.3Å; S428-D430 PolarHBondContact O-N 3.02Å
429T50.9Low57.8Low122 Ų122124.6 Ų124.675%0.74870%0.696SS**  trans-58.9116.3167.9-45.20000104.7P427 L431P427-T429 VanDerWaalsContact C-N 3.3Å; P427-T429 PolarHBondContact O-N 3.44Å; T429-L431 PolarHBondContact O-N 2.96Å
430D46.5Very low56.9Low138 Ų138121.6 Ų121.674%0.73868%0.68SS**  trans-45.6119.6173.2-68.5-38.8000106.7S428 I432S428-D430 PolarHBondContact O-N 3.02Å; D430-I432 PolarHBondContact O-N 3.26Å
431L45.6Very low56.1Low164 Ų164117.8 Ų117.886%0.85967%0.669SS**  trans-57.196.2174.4-77.8159.8000105.6T429 F433T429-L431 PolarHBondContact O-N 2.96Å; L431-F433 PolarHBondContact O-N 3.43Å
432I44.4Very low55.7Low142 Ų142114.5 Ų114.573%0.72866%0.662SS**  trans-63.793.9162.6-62.8173.5000103D430 N434D430-I432 PolarHBondContact O-N 3.26Å; I432-N434 PolarHBondContact O-N 3.37Å
433F40.7Very low55.9Low186 Ų186116.8 Ų116.882%0.81667%0.67SS**  trans-62.292.9170.2-142.6-89.3000104.7L431 P435L431-F433 PolarHBondContact O-N 3.43Å; F433-P435 WeakPolarHBondContact O-CD 3.42Å
434N42.1Very low55.8Low96 Ų96111.9 Ų111.951%0.51366%0.655SS.*  trans-72.3109.8171.5-111.4-19.4000106.3I432 D436 E437I432-N434 PolarHBondContact O-N 3.37Å; N434-D436 PolarHBondContact O-N 2.96Å; N434-E437 HydrophobicContact CB-CB 4.44Å; N434-E437 PolarHBondContact O-N 3.49Å
435P54.7Low55.9Low101 Ų101113.2 Ų113.266%0.65664%0.638SS**THydrogen-bonded Turntrans-67.4-17.2179.328.4-34.1000112.7F433F433-P435 WeakPolarHBondContact O-CD 3.42Å
436D49.5Very low55.8Low155 Ų155115.9 Ų115.983%0.82962%0.621SS**THydrogen-bonded Turntrans-85.5-12.7-178.2-65.3-18.6000113.5N434 A438N434-D436 PolarHBondContact O-N 2.96Å; D436-A438 VanDerWaalsContact C-N 3.34Å; D436-A438 PolarHBondContact O-N 3.31Å
437E46.9Very low56.5Low142 Ų142118.2 Ų118.266%0.66463%0.626SS**  trans-102.458.5171.6-160170.1-16900108.4N434 V439N434-E437 HydrophobicContact CB-CB 4.44Å; N434-E437 PolarHBondContact O-N 3.49Å; E437-V439 HydrophobicContact CG-CG2 4.09Å; E437-V439 PolarHBondContact O-N 2.98Å
438A44.5Very low57.2Low76 Ų76113.5 Ų113.563%0.62860%0.596SS**  trans-70.662.217400000110.3D436 L440D436-A438 VanDerWaalsContact C-N 3.34Å; D436-A438 PolarHBondContact O-N 3.31Å; A438-L440 VanDerWaalsContact C-N 3.34Å; A438-L440 PolarHBondContact O-N 3.05Å
439V55.7Low57.8Low96 Ų96116 Ų11658%0.58260%0.6SS**  trans-58.6104.4162.1176.60000105.4E437 P441E437-V439 HydrophobicContact CG-CG2 4.09Å; E437-V439 PolarHBondContact O-N 2.98Å; V439-P441 VanDerWaalsContact O-N 3.16Å
440L58.7Low58.8Low53 Ų53117.5 Ų117.528%0.27760%0.602SS.*  trans-48.3127.5-176.3-61177.7000108.9A438 A442 Q444 I458A438-L440 VanDerWaalsContact C-N 3.34Å; A438-L440 PolarHBondContact O-N 3.05Å; L440-A442 PolarHBondContact O-N 2.91Å; L440-Q444 HydrophobicContact CB-CB 4.25Å; L440-Q444 HydrophobicContact CB-CG 4.38Å; L440-Q444 HydrophobicContact CD1-CG 4.37Å; L440-I458 HydrophobicContact CD1-CD1 4.13Å; L440-I458 HydrophobicContact CD1-CG1 4.32Å
441P64.7Low59.9Low84 Ų84112.4 Ų112.455%0.54558%0.582SS.*  trans-49.7144.8-179.7-2631.3000110.2V439 I443 Q444 R445V439-P441 VanDerWaalsContact O-N 3.16Å; P441-I443 PolarHBondContact O-N 3.41Å; P441-Q444 WeakPolarHBondContact O-CA 3.25Å; P441-Q444 WeakPolarHBondContact O-CB 3.32Å; P441-Q444 PolarHBondContact O-N 3.47Å; P441-R445 PolarHBondContact O-N 3.39Å
442A67.9Low60.8Low54 Ų54109.3 Ų109.345%0.44658%0.575SS.*Hα-helixtrans-53.5-24.9-176.100000113.6L440 R446L440-A442 PolarHBondContact O-N 2.91Å; A442-R446 PolarHBondContact O-N 3.47Å
443I74.1Confident61.9Low110 Ų110110.4 Ų110.456%0.56458%0.576SS**Hα-helixtrans-65.1-40.9173.2-67168.7000111.8P441 R446 R447P441-I443 PolarHBondContact O-N 3.41Å; I443-R446 PolarHBondContact O-N 3.06Å; I443-R447 PolarHBondContact O-N 3.05Å
444Q72.3Confident62.9Low97 Ų97105.6 Ų105.645%0.45356%0.559SS.*Hα-helixtrans-72.6-37.8178.1-170.9168.86.700111.6L440 P441 R446 R447 A448L440-Q444 HydrophobicContact CB-CB 4.25Å; L440-Q444 HydrophobicContact CB-CG 4.38Å; L440-Q444 HydrophobicContact CD1-CG 4.37Å; P441-Q444 WeakPolarHBondContact O-CA 3.25Å; P441-Q444 WeakPolarHBondContact O-CB 3.32Å; P441-Q444 PolarHBondContact O-N 3.47Å; Q444-R446 VanDerWaalsContact C-N 3.33Å; Q444-R446 PolarHBondContact O-N 3.28Å; Q444-R447 PolarHBondContact O-N 2.89Å; Q444-A448 WeakPolarHBondContact O-CB 3.41Å; Q444-A448 PolarHBondContact O-N 3.43Å
445R71.6Confident64.2Low132 Ų132103.3 Ų103.350%0.49855%0.548SS..Hα-helixtrans-58.9-43.2169-76.6-170.9-79.9171.9-5.4111.8P441 A448 M449P441-R445 PolarHBondContact O-N 3.39Å; R445-A448 PolarHBondContact O-N 3.25Å; R445-M449 WeakPolarHBondContact O-CG 3.31Å; R445-M449 PolarHBondContact O-N 3.27Å
446R70.4Confident64.6Low141 Ų141101.2 Ų101.253%0.53254%0.54SS..Hα-helixtrans-63.8-43.3174.1-84.6-171.3-82.8-176.2-5.5112.8A442 I443 Q444 A448 M449 L450A442-R446 PolarHBondContact O-N 3.47Å; I443-R446 PolarHBondContact O-N 3.06Å; Q444-R446 VanDerWaalsContact C-N 3.33Å; Q444-R446 PolarHBondContact O-N 3.28Å; R446-A448 VanDerWaalsContact C-N 3.32Å; R446-A448 PolarHBondContact O-N 3.43Å; R446-M449 PolarHBondContact O-N 3.02Å; R446-L450 WeakPolarHBondContact O-CG 3.4Å; R446-L450 PolarHBondContact O-N 3.02Å
447R73.6Confident65.4Low194 Ų19499.9 Ų99.973%0.73253%0.529SS*.Hα-helixtrans-61-40.4174-83.9-175.4176.3172.6-1112.1I443 Q444 L450 G451I443-R447 PolarHBondContact O-N 3.05Å; Q444-R447 PolarHBondContact O-N 2.89Å; R447-L450 PolarHBondContact O-N 2.74Å; R447-G451 PolarHBondContact O-N 3.49Å; R447-G451 VanDerWaalsContact O-N 3.13Å
448A68.2Low66Low10 Ų1095.2 Ų95.28%0.08351%0.508CS..Hα-helixtrans-69.6-36.9176.200000112.5Q444 R445 R446 L450 G451 N454 V455 I458Q444-A448 WeakPolarHBondContact O-CB 3.41Å; Q444-A448 PolarHBondContact O-N 3.43Å; R445-A448 PolarHBondContact O-N 3.25Å; R446-A448 VanDerWaalsContact C-N 3.32Å; R446-A448 PolarHBondContact O-N 3.43Å; A448-L450 VanDerWaalsContact C-N 3.26Å; A448-L450 PolarHBondContact O-N 3.1Å; A448-G451 CarbonylContact O-C 3.59Å; A448-G451 PolarHBondContact O-N 3.06Å; A448-G451 VanDerWaalsContact O-N 3.16Å; A448-N454 HydrophobicContact CB-CB 4.05Å; A448-V455 VanDerWaalsContact O-CG2 3.25Å; A448-V455 WeakPolarHBondContact O-CG2 3.41Å; A448-I458 HydrophobicContact CB-CD1 3.22Å
449M70.1Confident66.7Low142 Ų14297.8 Ų97.870%0.751%0.508SS*.Hα-helixtrans-63.6-31.2172.1-70.1-140-51.300113.3R445 R446R445-M449 WeakPolarHBondContact O-CG 3.31Å; R445-M449 PolarHBondContact O-N 3.27Å; R446-M449 PolarHBondContact O-N 3.02Å
450L73.4Confident67Low154 Ų15499.5 Ų99.581%0.80651%0.514SS*.Hα-helixtrans-74.8-28.2174.6-70.2167.1000112.2R446 R447 A448R446-L450 WeakPolarHBondContact O-CG 3.4Å; R446-L450 PolarHBondContact O-N 3.02Å; R447-L450 PolarHBondContact O-N 2.74Å; A448-L450 VanDerWaalsContact C-N 3.26Å; A448-L450 PolarHBondContact O-N 3.1Å
451G67.9Low66.7Low31 Ų31103.9 Ų103.932%0.3253%0.533SS..SBendtrans-93.898.3173.300000112.1R447 A448 H453 N454R447-G451 PolarHBondContact O-N 3.49Å; R447-G451 VanDerWaalsContact O-N 3.13Å; A448-G451 CarbonylContact O-C 3.59Å; A448-G451 PolarHBondContact O-N 3.06Å; A448-G451 VanDerWaalsContact O-N 3.16Å; G451-H453 PolarHBondContact O-N 3.42Å; G451-N454 PolarHBondContact O-N 3.37Å
452S66.3Low65.9Low99 Ų99106.2 Ų106.269%0.69254%0.541SS*.THydrogen-bonded Turntrans-45.8-26.5-177.560.30000116.5
453H66Low64.8Low165 Ų165110.4 Ų110.476%0.76456%0.556SS**THydrogen-bonded Turntrans-83.7-20.2-177.2-71.745.8000114.2G451G451-H453 PolarHBondContact O-N 3.42Å
454N62.2Low62.8Low86 Ų86111.2 Ų111.246%0.4657%0.57SS.*THydrogen-bonded Turntrans-99-5.9-174-75.552.3000113.7A448 G451 I458A448-N454 HydrophobicContact CB-CB 4.05Å; G451-N454 PolarHBondContact O-N 3.37Å; N454-I458 WeakPolarHBondContact O-CG1 3.44Å
455V69.9Low60.9Low47 Ų47112.6 Ų112.629%0.28559%0.59SS.*Hα-helixtrans-67.6-43.7-178.3179.40000111.5A448 I458 M459A448-V455 VanDerWaalsContact O-CG2 3.25Å; A448-V455 WeakPolarHBondContact O-CG2 3.41Å; V455-I458 PolarHBondContact O-N 2.96Å; V455-M459 HydrophobicContact CG1-SD 4.04Å; V455-M459 WeakPolarHBondContact O-CG 3.37Å; V455-M459 PolarHBondContact O-N 2.97Å
456A63.5Low59.2Low58 Ų58113.2 Ų113.248%0.47960%0.604SS.*Hα-helixtrans-67.5-42.9-176.200000112.4I458 M459 D460A456-I458 PolarHBondContact O-N 3.38Å; A456-M459 PolarHBondContact O-N 2.96Å; A456-D460 PolarHBondContact O-N 3.4Å
457E65.4Low57.7Low127 Ų127112.7 Ų112.759%0.59362%0.616SS**Hα-helixtrans-60.5-29.6-179.9-171179-17300112.8
458I60.1Low55.8Low44 Ų44110.6 Ų110.623%0.22662%0.62CS.*Hα-helixtrans-82.6-33177.2-59.5172.1000111.3L440 A448 N454 V455 A456L440-I458 HydrophobicContact CD1-CD1 4.13Å; L440-I458 HydrophobicContact CD1-CG1 4.32Å; A448-I458 HydrophobicContact CB-CD1 3.22Å; N454-I458 WeakPolarHBondContact O-CG1 3.44Å; V455-I458 PolarHBondContact O-N 2.96Å; A456-I458 PolarHBondContact O-N 3.38Å
459M59.3Low54.3Low129 Ų129120.9 Ų120.964%0.63566%0.658SS**Hα-helixtrans-74.8-32.5179.5-71-174.465.700112.8V455 A456 Q461 D462V455-M459 HydrophobicContact CG1-SD 4.04Å; V455-M459 WeakPolarHBondContact O-CG 3.37Å; V455-M459 PolarHBondContact O-N 2.97Å; A456-M459 PolarHBondContact O-N 2.96Å; M459-Q461 PolarHBondContact O-N 3.07Å; M459-Q461 VanDerWaalsContact O-N 3.15Å; M459-D462 PolarHBondContact O-N 2.97Å
460D61.5Low52.7Low133 Ų133120.4 Ų120.471%0.71166%0.658SS**THydrogen-bonded Turntrans-70.3-6.5-179.4-72-15.8000113.5A456A456-D460 PolarHBondContact O-N 3.4Å
461Q52.9Low51Low145 Ų145120.2 Ų120.268%0.67865%0.653SS**THydrogen-bonded Turntrans-86.8-14.2177.7-66.8-176.33.600113.6M459M459-Q461 PolarHBondContact O-N 3.07Å; M459-Q461 VanDerWaalsContact O-N 3.15Å
462D47.7Very low49.2Very low133 Ų133125.6 Ų125.671%0.71168%0.675SS**SBendtrans-10550.8-176.2-72.4-27.2000111.5M459M459-D462 PolarHBondContact O-N 2.97Å
463D44.9Very low47.7Very low142 Ų142129.3 Ų129.376%0.75969%0.685SS**  trans-151.9133.1168.8-90.5-36.5000112.5
464C31.5Very low46Very low126 Ų126129.8 Ų129.885%0.85169%0.688SS**  trans88.380.2165.2-49.80000118.7
465S33.6Very low44.4Very low126 Ų126135.1 Ų135.188%0.88170%0.702SS**  trans-140.476.5133.453.20000110.2
466D34.4Very low42.7Very low145 Ų145139.8 Ų139.878%0.77573%0.726SS**  trans-11988.2167.9-154.319.2000106.2
467T39.2Very low41Very low130 Ų130142.6 Ų142.680%0.79873%0.733SS**  trans-142.681.9167.158.60000109.5Y469T467-Y469 PolarHBondContact O-N 2.82Å
468D33.5Very low39.2Very low150 Ų150142.6 Ų142.680%0.80274%0.737SS**  trans-81.692155-64.9-20.3000107.5
469Y36.8Very low37.9Very low226 Ų226149.6 Ų149.689%0.88677%0.768SS**  trans-132.8111.6164.2-109.1-86.9000111T467T467-Y469 PolarHBondContact O-N 2.82Å
470D36.6Very low36.5Very low133 Ų133151.3 Ų151.371%0.71178%0.779SS**  trans-60.3129.7173.8-113.5-32.7000111.8
471Q37.2Very low35.2Very low149 Ų149150.3 Ų150.370%0.69678%0.783SS**  trans45.2113.1134.3-67.1175.751.200120.2
472N30.4Very low34Very low144 Ų144149.5 Ų149.577%0.7779%0.788SS**  6387.5127.1-58-38.4000117.5
473I35.1Very low33.2Very low177 Ų177151.4 Ų151.491%0.90879%0.792SS**  trans-118.6120.6139.9-63179.1000108.1
474E30.9Very low32.7Very low176 Ų176149.9 Ų149.982%0.82279%0.79SS**  trans-69.4132.3-175.6-161.6171.4-168.900111.8
475Y29.2Very low32.5Very low197 Ų197150.3 Ų150.377%0.77379%0.793SS**  trans20121.3155.4-75.4-91.5000120.3
476N32.6Very low32.4Very low145 Ų145155.2 Ų155.278%0.77579%0.792SS**  -163.9112.4117-94-51.9000112.1
477N29.2Very low32Very low117 Ų117159.9 Ų159.963%0.62680%0.799SS**  trans54.3115.5138.6-57.4-28.2000121.4
478D27.6Very low31.5Very low127 Ų127164.7 Ų164.768%0.67980%0.804SS**  51.3103122.6-57.7-18.9000118.1
479H31.5Very low31.5Very low191 Ų191166.9 Ų166.988%0.88481%0.807SS**  -165108111.6-88.1-57.6000109.4S481H479-S481 PolarHBondContact O-N 3.13Å
480L31Very low31.2Very low166 Ų166159.9 Ų159.987%0.86980%0.796SS**  trans-59.9118159-77110.5000109
481S33.4Very low30.9Very low112 Ų112160.6 Ų160.678%0.78380%0.8SS**  trans-139.486.7154.3-165.20000109.5H479 Q483H479-S481 PolarHBondContact O-N 3.13Å; S481-Q483 PolarHBondContact O-N 3.33Å
482T28.6Very low30.8Very low127 Ų127160.3 Ų160.378%0.77980%0.8SS**  trans-66.3108.7158.7-56.50000107.9
483Q31.1Very low30.9Very low174 Ų174162.3 Ų162.381%0.81380%0.802SS**  trans-166.6145.1149.1-91-114.51.100112.2S481S481-Q483 PolarHBondContact O-N 3.33Å
484P34.3Very low30.9Very low110 Ų110159.7 Ų159.771%0.71480%0.798SS**PPolyproline II helixtrans-92.9128.5-157.834.6-30.5000112.9
485C27.3Very low30.9Very low135 Ų135157.2 Ų157.291%0.91280%0.795SS**PPolyproline II helixtrans-84.5125.6172.2-96.10000112.3
486R30.1Very low31.2Very low228 Ų228157.7 Ų157.786%0.8680%0.795SS**PPolyproline II helixtrans-65.1152.4-176.1-70.4-179.3170.4-165.3-1.7113.7Y488R486-Y488 PolarHBondContact O-N 3.33Å
487R26.7Very low31.2Very low244 Ų244157 Ų15792%0.92179%0.792SS**  trans-24.1118.5159.1-66.1177.3-174.9170.50.8114
488Y29.3Very low31.6Very low230 Ų230157 Ų15790%0.90279%0.792SS**  trans-81.6119.7157.3-80.3-85.2000109.7R486R486-Y488 PolarHBondContact O-N 3.33Å
489K33Very low31.6Very low196 Ų196162 Ų16285%0.85280%0.803SS**  trans-80.2135.9161.9-81.1-128.2179.1-176.30108.9
490A31Very low31.9Very low80 Ų80158.9 Ų158.966%0.66180%0.797SS**  trans29.8117.5150.600000118
491D29.4Very low32Very low148 Ų148154.4 Ų154.479%0.79179%0.791SS**  -171.4155109.7-96.1-23.8000113.3
492M35.2Very low31.9Very low143 Ų143156.6 Ų156.670%0.70479%0.792SS**  trans105.682.2169.4-56-60143.500118.1
493K32.2Very low32.2Very low185 Ų185158.3 Ų158.380%0.80480%0.795SS**  40.395.2111-63.9179.1-178.1177.20116.4
494C34.8Very low32.3Very low123 Ų123155.5 Ų155.583%0.83179%0.792SS**  trans-115.7108.7149.8-170.90000108R496C494-R496 PolarHBondContact O-N 3.2Å
495T32.2Very low32.2Very low123 Ų123155 Ų15576%0.75580%0.797SS**  trans-69.6108.9179.8-41.30000108.7
496R34.2Very low32.4Very low207 Ų207153 Ų15378%0.78179%0.79SS**  trans-105.7103.4174.8-178.4173.2157.7111.4-5.5108.8C494 N498C494-R496 PolarHBondContact O-N 3.2Å; R496-N498 PolarHBondContact O-N 3.05Å; R496-N498 VanDerWaalsContact O-N 3.11Å
497D32.2Very low32.3Very low132 Ų132148.1 Ų148.171%0.70679%0.786SS**  trans-65.1101.8172.9-66.1-37.8000110.3
498N38.4Very low32.4Very low117 Ų117146 Ų14663%0.62678%0.784SS**  trans-130.290.8163.6-98.6-7.6000107.9R496 V500R496-N498 PolarHBondContact O-N 3.05Å; R496-N498 VanDerWaalsContact O-N 3.11Å; N498-V500 PolarHBondContact O-N 3.08Å; N498-V500 VanDerWaalsContact O-N 3.07Å
499Y27.3Very low32.2Very low232 Ų232144.9 Ų144.991%0.9178%0.779SS**  trans-71.790.8165.7-91.9-91.8000109.4
500V37.1Very low31.9Very low124 Ų124142.6 Ų142.675%0.75278%0.777SS**  trans-119.1103.8152179.20000105.6N498 I502N498-V500 PolarHBondContact O-N 3.08Å; N498-V500 VanDerWaalsContact O-N 3.07Å; V500-I502 PolarHBondContact O-N 3.17Å
501G33.2Very low31.8Very low72 Ų72147.6 Ų147.674%0.74279%0.786SS**  trans-58.5107.7-178.900000110.9L503G501-L503 PolarHBondContact O-N 3.15Å
502I32.2Very low31.7Very low159 Ų159145.7 Ų145.782%0.81578%0.78SS**  trans-71.6109.7163.8-61.9168.2000106.1V500V500-I502 PolarHBondContact O-N 3.17Å
503L33.8Very low31.4Very low162 Ų162145.9 Ų145.985%0.84878%0.783SS**PPolyproline II helixtrans-86.8137.7162.9-75.7173.3000109G501G501-L503 PolarHBondContact O-N 3.15Å
504P34Very low31.4Very low115 Ų115145.6 Ų145.675%0.74779%0.785SS**PPolyproline II helixtrans-77.9151.6-163.1-8.326.2000112.8
505A31.8Very low31.1Very low99 Ų99144.1 Ų144.182%0.81878%0.782SS**PPolyproline II helixtrans-68.5139.1172.500000112.5
506A31.1Very low30.8Very low93 Ų93147.6 Ų147.677%0.76978%0.782SS**  trans67.399.4152.600000119.6
507T29.6Very low30.7Very low127 Ų127144.3 Ų144.378%0.77978%0.78SS**  trans-131.2114.9132.6440000109.4
508K27.7Very low30.5Very low198 Ų198143.9 Ų143.986%0.86179%0.787SS**  trans-66.7124.8166.9-64.6174.6177.8178.50108.2
509Y24.9Very low30.2Very low208 Ų208142.1 Ų142.182%0.81679%0.789SS**  trans-127111.9158.1-94.4-84.5000108.2
510N28Very low30.1Very low148 Ų148137.8 Ų137.879%0.79178%0.782SS**  trans-87.1131.1160.3-68.5-32.8000106.9
511H28.9Very low29.9Very low185 Ų185140.9 Ų140.986%0.85679%0.788SS**  trans-148113.6144.8-101.7-47.4000109.4
512T27.2Very low29.4Very low108 Ų108141.7 Ų141.766%0.66378%0.782SS**  trans-80.5158.3160.843.90000109.9
513D27.7Very low29.1Very low146 Ų146141 Ų14178%0.78178%0.779SS**  trans70.5114.6159.3-51.1-32000118
514E33.5Very low28.9Very low179 Ų179143.3 Ų143.384%0.83678%0.783SS**  -168.3132.7103.1-97.7-176.5-167.300112.1
515A28.1Very low28.4Very low92 Ų92142.4 Ų142.476%0.7678%0.779SS**  trans-101.4113.317000000108.6
516Y25.9Very low28.2Very low196 Ų196146.6 Ų146.677%0.76978%0.781SS**  trans-156.6128.9163.7-84.8-84.6000104
517D32.9Very low28Very low139 Ų139148 Ų14874%0.74378%0.781SS**  cis-141.7121.437.5-78.2-50.3000112
518S26.5Very low27.9Very low122 Ų122149.8 Ų149.885%0.85379%0.786SS**  trans-96.796148-1660000105.6
519A32.3Very low27.8Very low81 Ų81145.1 Ų145.167%0.66978%0.778SS**  trans-126.7107.717500000109.9
520N26.4Very low27.9Very low141 Ų141142.3 Ų142.375%0.75478%0.775SS**  trans-61.1127.2170.2-66.4-66.6000111.6
521H32.2Very low27.7Very low189 Ų189147.3 Ų147.388%0.87578%0.783SS**  trans-128.792.3139.4-78.6-74.7000104.7
522S23.6Very low27.6Very low89 Ų89145 Ų14562%0.62278%0.777SS**  50.2119.371.9-159.70000113.2
523L25.7Very low27.8Very low144 Ų144144.5 Ų144.575%0.75478%0.783SS**  trans7893.5162.9-64.1152000117.1
524K27.9Very low27.7Very low211 Ų211144 Ų14492%0.91778%0.78SS**  -140.992.3115.6-99.2170.8-172.2-174.60109E526K524-E526 PolarHBondContact O-N 3.03Å
525S24.7Very low27.6Very low96 Ų96140.6 Ų140.667%0.67178%0.776SS**  trans-65.4112.915647.10000108.1
526E27.9Very low27.7Very low186 Ų186143.4 Ų143.487%0.86978%0.779SS**  trans-126.789.5157.2-144162.7-152.300106.3K524 D528K524-E526 PolarHBondContact O-N 3.03Å; E526-D528 PolarHBondContact O-N 3.02Å
527T25.6Very low27.5Very low124 Ų124141.1 Ų141.176%0.76178%0.775SS**  trans-65.1101162.340.10000107.9
528D28.5Very low27.3Very low164 Ų164140.6 Ų140.688%0.87778%0.779SS**  trans-115.9102.1147.8-92.9-23.7000108.4E526E526-D528 PolarHBondContact O-N 3.02Å
529S24.9Very low27.2Very low99 Ų99143.8 Ų143.869%0.69277%0.772SS**  trans-87150.2176.8-139.30000108.4
530I26.8Very low27.4Very low149 Ų149146.7 Ų146.776%0.76478%0.782SS**  trans85.991.5157.8-47.1151.9000116.2
531R25Very low27.4Very low254 Ų254146.2 Ų146.296%0.95878%0.78SS**  -134.389.7120.6-124.5179.3-171.3-177.93.3110.1
532L26.5Very low27.2Very low137 Ų137144.2 Ų144.272%0.71778%0.775SS**  trans-67.6118.3164.2-162.775.4000107.7
533A30.1Very low27.5Very low97 Ų97145.2 Ų145.280%0.80278%0.782SS**  trans-131.484.6159.900000107
534N25.6Very low27.5Very low135 Ų135149.7 Ų149.772%0.72279%0.791SS**  trans-66.5128.7162.2-77.7-27.9000108.7
535S33.1Very low27.6Very low107 Ų107146.8 Ų146.875%0.74878%0.784SS**  trans-150.393.7146.562.90000109.5
536N29.2Very low27.7Very low152 Ų152151 Ų15181%0.81379%0.79SS**  trans53.4108.9134.1-57-18.3000119.6
537E21.6Very low27.9Very low148 Ų148150.7 Ų150.769%0.69279%0.789SS**  trans-26.7148.4137.6-105.4-178.2156.100114.2R539E537-R539 WeakPolarHBondContact OE1-CG 3.47Å
538P29.8Very low27.9Very low127 Ų127156.8 Ų156.883%0.82580%0.798SS**  -129.9134.996.634.6-25.5000113.8
539R24.1Very low28.1Very low189 Ų189153.4 Ų153.471%0.71379%0.787SS**  trans-50.2130.7154.2-79.7157.3132.6164.6-2.7111.4E537E537-R539 WeakPolarHBondContact OE1-CG 3.47Å
540T35.5Very low28.3Very low142 Ų142155.8 Ų155.887%0.87179%0.792SS**  -142.6124129.246.20000109.6
541N26.8Very low28.5Very low132 Ų132156.8 Ų156.871%0.70680%0.799SS**  trans-78.4156.3173.4-76.9-33.3000110.7
542N27.5Very low28.8Very low146 Ų146149.7 Ų149.778%0.78179%0.788SS**  trans90.1132.3144.7-65.5-16.6000122
543S30.5Very low29.1Very low111 Ų111152 Ų15278%0.77679%0.792SS**  trans70.382.4155.565.40000119.4
544Y26.9Very low29.2Very low238 Ų238154.1 Ų154.193%0.93379%0.79SS**  trans-118.982.3147.1-92-89000109.4
545I28.8Very low29.6Very low150 Ų150155.9 Ų155.977%0.76979%0.794SS**  trans-129.6114165.7-70.9179.9000108.5
546K28.1Very low29.3Very low183 Ų183155.7 Ų155.780%0.79680%0.799SS**  trans58.4108.9153.9-69.9173.8175.1179.70117.8
547Q30.6Very low29.7Very low181 Ų181154 Ų15485%0.84680%0.799SS**  -148.5101.4121-109.3167.8-2.700108.8S549Q547-S549 VanDerWaalsContact C-N 3.34Å; Q547-S549 PolarHBondContact O-N 2.95Å
548W25.8Very low30.2Very low252 Ų252156.8 Ų156.896%0.95581%0.809SS**  trans-76.396.6157.6-75.756.3000105.3
549S33Very low30.4Very low92 Ų92162.1 Ų162.164%0.64381%0.812SS**  trans-97.2134.3166.1-71.70000108.2Q547 D551Q547-S549 VanDerWaalsContact C-N 3.34Å; Q547-S549 PolarHBondContact O-N 2.95Å; S549-D551 PolarHBondContact O-N 3.32Å
550N29.1Very low30.7Very low150 Ų150160.8 Ų160.880%0.80281%0.814SS**  trans-60.8111.3-171.9-61.9-46.9000112.6
551D32.1Very low30.7Very low169 Ų169160.4 Ų160.490%0.90481%0.807SS**  trans-10378.6158.3-80.1-26.3000109.4S549S549-D551 PolarHBondContact O-N 3.32Å
552S30.1Very low30.8Very low105 Ų105161 Ų16173%0.73481%0.805SS**  trans-99.278.1164.166.30000109.5
553K32.7Very low31Very low186 Ų186164.5 Ų164.581%0.80981%0.807SS**  trans-148.298.3162.9-78.9-174.6177.21670109.3
554N33.2Very low31.2Very low142 Ų142167.8 Ų167.876%0.75981%0.808SS**SBend168.8138.4114.3-83.4-25.2000113.7
555H33.1Very low31.2Very low172 Ų172164.6 Ų164.680%0.79680%0.801SS**  trans73.482.4161.3-62.7-59.4000119.9
556A27.9Very low31.4Very low103 Ų103163.2 Ų163.285%0.85180%0.796SS**  trans-41.7126.8143.300000113.1
557S37.3Very low31.6Very low117 Ų117163.1 Ų163.182%0.81880%0.798SS**  trans-131.9127.7146.462.80000108.7R559S557-R559 PolarHBondContact O-N 3.07Å
558K32.2Very low31.7Very low206 Ų206164 Ų16490%0.89680%0.795SS**  trans-58.8115.2-169.7-71.1164.3171173.70111.8
559R32.9Very low32.2Very low238 Ų238160.2 Ų160.290%0.89879%0.788SS**  trans-134.593.7144.2-78.5-163.4141.1-162.5-6.7109.1S557 N561S557-R559 PolarHBondContact O-N 3.07Å; R559-N561 VanDerWaalsContact C-N 3.33Å; R559-N561 PolarHBondContact O-N 3.36Å
560Q31Very low32.2Very low162 Ų162166.8 Ų166.876%0.75780%0.799SS**  trans-68.285177-1681781.300108.9H562Q560-H562 PolarHBondContact O-N 3.42Å
561N36.1Very low32.5Very low133 Ų133168.1 Ų168.171%0.71180%0.797SS**  trans-86.396.6162.6-74.4-21.3000106.7R559 W563R559-N561 VanDerWaalsContact C-N 3.33Å; R559-N561 PolarHBondContact O-N 3.36Å; N561-W563 PolarHBondContact O-N 3.46Å
562H28.1Very low32.4Very low144 Ų144168.7 Ų168.767%0.66779%0.794SS**  trans-60.795.3176.1-122.3-48.3000109.1Q560 F564Q560-H562 PolarHBondContact O-N 3.42Å; H562-F564 PolarHBondContact O-N 2.89Å
563W32.6Very low32.5Very low220 Ų220174.8 Ų174.883%0.83380%0.801SS**  trans-77113.2162.3-72.487.3000107N561 H565N561-W563 PolarHBondContact O-N 3.46Å; W563-H565 PolarHBondContact O-N 2.93Å
564F32.8Very low32.7Very low181 Ų181172.1 Ų172.179%0.79480%0.801SS**  trans-61.6101.4172-76-92000108.9H562 N566H562-F564 PolarHBondContact O-N 2.89Å; F564-N566 PolarHBondContact O-N 3.35Å
565H28.9Very low32.8Very low170 Ų170171.3 Ų171.379%0.78780%0.801SS**  trans-74.6100.8158.9-90.7-83.1000107.1W563 E567W563-H565 PolarHBondContact O-N 2.93Å; H565-E567 VanDerWaalsContact C-N 3.3Å; H565-E567 PolarHBondContact O-N 3.19Å
566N32.9Very low33Very low122 Ų122170.5 Ų170.565%0.65280%0.802SS**  trans-73.391.2165.8-82.3-10.8000108.2F564 Y568F564-N566 PolarHBondContact O-N 3.35Å; N566-Y568 HydrophobicContact CB-CD2 3.99Å; N566-Y568 HydrophobicContact CB-CE2 3.91Å; N566-Y568 PolarHBondContact O-N 3.39Å
567E31.7Very low33.3Very low180 Ų180173.9 Ų173.984%0.84180%0.801SS**  trans-67.7105.1159.5-67.6180161.700108H565H565-E567 VanDerWaalsContact C-N 3.3Å; H565-E567 PolarHBondContact O-N 3.19Å
568Y33.4Very low33.1Very low201 Ų201175 Ų17579%0.78880%0.802SS**  trans-107.6118.4163.7-81.2-79.8000108.9N566 R570N566-Y568 HydrophobicContact CB-CD2 3.99Å; N566-Y568 HydrophobicContact CB-CE2 3.91Å; N566-Y568 PolarHBondContact O-N 3.39Å; Y568-R570 PolarHBondContact O-N 3.33Å
569E35.3Very low33.5Very low172 Ų172174.4 Ų174.480%0.80480%0.803SS**  trans-56.9126.4-175.3-65-179.5149.600112.7K571E569-K571 PolarHBondContact O-N 3.35Å
570R32.8Very low33.7Very low230 Ų230168.7 Ų168.787%0.86880%0.799SS**  trans-71.589.3172-174.8-171.1-60.7-124.40.5109.1Y568 Q572Y568-R570 PolarHBondContact O-N 3.33Å; R570-Q572 PolarHBondContact O-N 2.9Å; R570-Q572 VanDerWaalsContact O-N 3.14Å
571K34.8Very low33.8Very low177 Ų177169 Ų16977%0.7781%0.805SS**  trans-70.9104.5165-70-172.3178.7-178.90108.6E569 R573E569-K571 PolarHBondContact O-N 3.35Å; K571-R573 PolarHBondContact O-N 2.89Å; K571-R573 VanDerWaalsContact O-N 3.15Å
572Q29.7Very low34Very low182 Ų182168.9 Ų168.985%0.8581%0.81SS**  trans-61108.5165.7-68.6178.3-16.800107.9R570R570-Q572 PolarHBondContact O-N 2.9Å; R570-Q572 VanDerWaalsContact O-N 3.14Å
573R33Very low34.3Very low233 Ų233167.8 Ų167.888%0.87982%0.818SS**  trans-104.6135159.8-87.2-169.5178.2-164.40108.2K571K571-R573 PolarHBondContact O-N 2.89Å; K571-R573 VanDerWaalsContact O-N 3.15Å
574T36.2Very low34.5Very low130 Ų130163.1 Ų163.180%0.79882%0.818SS**  trans-58.3139.2-178.441.60000111.3D576T574-D576 PolarHBondContact O-N 3.26Å
575V36.5Very low35Very low125 Ų125160.5 Ų160.576%0.75882%0.822SS**  trans-73.9110.5177.61760000107.8E577V575-E577 HydrophobicContact CG1-CG 4.38Å
576D37.5Very low35.8Very low155 Ų155157.7 Ų157.783%0.82982%0.821SS**  trans-93.4120.7156.8-76.7-30.2000107.3T574T574-D576 PolarHBondContact O-N 3.26Å
577E34.1Very low36.9Very low174 Ų174157.6 Ų157.681%0.81382%0.82SS**  trans-72.2120.3178.4-61.8176.8156.700109.5V575V575-E577 HydrophobicContact CG1-CG 4.38Å
578T33.6Very low39.2Very low139 Ų139152.6 Ų152.685%0.85381%0.805SS**  trans166.870.1147.336.80000109.9
579E39.4Very low41.5Very low195 Ų195149.6 Ų149.691%0.91180%0.798SS**  trans-127.2119.5166.8-74-169.817500111.3
580S38.1Very low43.8Very low117 Ų117149.1 Ų149.182%0.81879%0.793SS**  trans-67.4138.4-176.3-50.50000111.9T582S580-T582 PolarHBondContact O-N 2.96Å
581L33.2Very low46.4Very low169 Ų169140.3 Ų140.389%0.88577%0.767SS**  trans-6393.6179.2-63.9161.3000112
582T39.8Very low48.8Very low131 Ų131137.3 Ų137.380%0.80476%0.757SS**  trans-141.774.4155.738.70000110.5S580 C584S580-T582 PolarHBondContact O-N 2.96Å; T582-C584 PolarHBondContact O-N 3.28Å
583S33.3Very low51.7Low121 Ų121132.9 Ų132.985%0.84674%0.736SS**  trans-67.597.1176.5-56.40000111.8
584C38Very low54.3Low122 Ų122124.9 Ų124.982%0.82472%0.716SS**  trans-85.3124.3152.5-73.20000108.3T582 S586T582-C584 PolarHBondContact O-N 3.28Å; C584-S586 PolarHBondContact O-N 2.95Å; C584-S586 VanDerWaalsContact O-N 3.1Å
585S43.5Very low56.8Low125 Ų125122 Ų12287%0.87470%0.701SS**  trans-48.7113.7-178.9-172.90000111.5L587S585-L587 PolarHBondContact O-N 3.2Å; S585-L587 VanDerWaalsContact O-N 3.13Å
586S44.4Very low59.5Low111 Ų111119 Ų11978%0.77669%0.69SS**  trans-74.899.3177.640.90000109.8C584 S588C584-S586 PolarHBondContact O-N 2.95Å; C584-S586 VanDerWaalsContact O-N 3.1Å; S586-S588 PolarHBondContact O-N 3.26Å
587L56.8Low62.2Low121 Ų121120 Ų12063%0.63468%0.681SS**  trans-48.9123.8150.3-80.3160.9000106.6S585 E589 M592S585-L587 PolarHBondContact O-N 3.2Å; S585-L587 VanDerWaalsContact O-N 3.13Å; L587-E589 PolarHBondContact O-N 3.48Å; L587-M592 HydrophobicContact CB-CG 4.3Å
588S79.7Confident65.2Low74 Ų74116.8 Ų116.852%0.51767%0.669SS.*  trans-48.5135.8178.8174.50000109.4S586 K590 S591 M592S586-S588 PolarHBondContact O-N 3.26Å; S588-K590 PolarHBondContact O-N 3.22Å; S588-S591 WeakPolarHBondContact O-CA 3.13Å; S588-S591 WeakPolarHBondContact O-CB 3.08Å; S588-S591 PolarHBondContact O-N 3.27Å; S588-M592 PolarHBondContact O-N 3.12Å
589E81Confident68.1Low139 Ų139113.1 Ų113.165%0.6565%0.653SS**Hα-helixtrans-42.3-41.4176.1-174.6179.1-173.300112.5L587 S591 M592 E593L587-E589 PolarHBondContact O-N 3.48Å; E589-S591 VanDerWaalsContact C-N 3.31Å; E589-S591 PolarHBondContact O-N 3.17Å; E589-M592 WeakPolarHBondContact O-CB 3.45Å; E589-M592 PolarHBondContact O-N 3.34Å; E589-M592 VanDerWaalsContact O-N 3.11Å; E589-E593 WeakPolarHBondContact O-CG 3.38Å; E589-E593 PolarHBondContact O-N 3.36Å
590K85Confident70.8Confident162 Ų162109.3 Ų109.370%0.70464%0.635SS**Hα-helixtrans-60.3-34.8175.6-63.9-179.9179.7177.90114.1S588 S594S588-K590 PolarHBondContact O-N 3.22Å; K590-S594 WeakPolarHBondContact O-CB 3.4Å; K590-S594 PolarHBondContact O-N 3.39Å; K590-S594 PolarHBondContact O-OG 2.93Å
591S86.6Confident73.6Confident45 Ų45108.4 Ų108.432%0.31562%0.618SS.*Hα-helixtrans-72.3-35.5176.3-167.60000111.6S588 E589 S594 S595S588-S591 WeakPolarHBondContact O-CA 3.13Å; S588-S591 WeakPolarHBondContact O-CB 3.08Å; S588-S591 PolarHBondContact O-N 3.27Å; E589-S591 VanDerWaalsContact C-N 3.31Å; E589-S591 PolarHBondContact O-N 3.17Å; S591-S594 WeakPolarHBondContact CA-OG 3.3Å; S591-S594 PolarHBondContact O-OG 3.01Å; S591-S595 VanDerWaalsContact O-CB 3.32Å; S591-S595 WeakPolarHBondContact O-CB 3.48Å; S591-S595 PolarHBondContact O-N 3.37Å; S591-S595 VanDerWaalsContact O-N 3.08Å; S591-S595 PolarHBondContact O-OG 3.37Å
592M85.9Confident76.6Confident114 Ų114103.8 Ų103.856%0.56260%0.597SS**Hα-helixtrans-69-45.1174.6-60.3-165.3-53.400110.2L587 S588 E589 S594 S595 A596L587-M592 HydrophobicContact CB-CG 4.3Å; S588-M592 PolarHBondContact O-N 3.12Å; E589-M592 WeakPolarHBondContact O-CB 3.45Å; E589-M592 PolarHBondContact O-N 3.34Å; E589-M592 VanDerWaalsContact O-N 3.11Å; M592-S594 PolarHBondContact O-N 3Å; M592-S595 PolarHBondContact O-N 3.46Å; M592-A596 VanDerWaalsContact O-CB 3.31Å; M592-A596 WeakPolarHBondContact O-CB 3.42Å; M592-A596 PolarHBondContact O-N 2.94Å
593E89.4Confident79.3Confident89 Ų89102.1 Ų102.142%0.41658%0.583SS.*Hα-helixtrans-60.6-43.1176-72.3-174.6171.900112.8E589 A596 R597E589-E593 WeakPolarHBondContact O-CG 3.38Å; E589-E593 PolarHBondContact O-N 3.36Å; E593-A596 PolarHBondContact O-N 3.26Å; E593-R597 WeakPolarHBondContact O-CB 3.4Å; E593-R597 WeakPolarHBondContact O-CG 3.48Å; E593-R597 PolarHBondContact O-N 3.02Å
594S88.8Confident82.4Confident65 Ų6599.9 Ų99.946%0.45556%0.559SS.*Hα-helixtrans-66.4-40.2178.366.80000111.8K590 S591 M592 R597 L598K590-S594 WeakPolarHBondContact O-CB 3.4Å; K590-S594 PolarHBondContact O-N 3.39Å; K590-S594 PolarHBondContact O-OG 2.93Å; S591-S594 WeakPolarHBondContact CA-OG 3.3Å; S591-S594 PolarHBondContact O-OG 3.01Å; M592-S594 PolarHBondContact O-N 3Å; S594-R597 PolarHBondContact O-N 3.03Å; S594-L598 WeakPolarHBondContact O-CB 3.35Å; S594-L598 PolarHBondContact O-N 3.35Å
595S88.5Confident85.2Confident69 Ų69100.2 Ų100.248%0.48354%0.543SS..Hα-helixtrans-65.4-43.1175.9-57.60000111.4S591 M592 L598 A599S591-S595 VanDerWaalsContact O-CB 3.32Å; S591-S595 WeakPolarHBondContact O-CB 3.48Å; S591-S595 PolarHBondContact O-N 3.37Å; S591-S595 VanDerWaalsContact O-N 3.08Å; S591-S595 PolarHBondContact O-OG 3.37Å; M592-S595 PolarHBondContact O-N 3.46Å; S595-L598 PolarHBondContact O-N 2.94Å; S595-A599 WeakPolarHBondContact O-CB 3.49Å; S595-A599 PolarHBondContact O-N 2.9Å
596A93.4Very high87.7Confident62 Ų6297 Ų9751%0.51252%0.524SS..Hα-helixtrans-63.9-42.5176.400000112M592 E593 A599 H600M592-A596 VanDerWaalsContact O-CB 3.31Å; M592-A596 WeakPolarHBondContact O-CB 3.42Å; M592-A596 PolarHBondContact O-N 2.94Å; E593-A596 PolarHBondContact O-N 3.26Å; A596-A599 PolarHBondContact O-N 3.23Å; A596-H600 WeakPolarHBondContact O-CB 3.47Å; A596-H600 PolarHBondContact O-N 3.22Å
597R94.6Very high90.2Very high175 Ų17597 Ų9766%0.6651%0.512SS*.Hα-helixtrans-62.1-43.9174.8-78-179.7-179.1152.37.9112.3E593 S594 H600 E601E593-R597 WeakPolarHBondContact O-CB 3.4Å; E593-R597 WeakPolarHBondContact O-CG 3.48Å; E593-R597 PolarHBondContact O-N 3.02Å; S594-R597 PolarHBondContact O-N 3.03Å; R597-H600 PolarHBondContact O-N 2.86Å; R597-E601 WeakPolarHBondContact O-CB 3.41Å; R597-E601 PolarHBondContact O-N 2.79Å
598L95.9Very high92.1Very high107 Ų10797 Ų9756%0.5651%0.507SS*.Hα-helixtrans-64.4-41.2177.2-176.169.4000111.6S594 S595 E601 T602S594-L598 WeakPolarHBondContact O-CB 3.35Å; S594-L598 PolarHBondContact O-N 3.35Å; S595-L598 PolarHBondContact O-N 2.94Å; L598-E601 PolarHBondContact O-N 3.39Å; L598-T602 WeakPolarHBondContact O-CB 3.38Å; L598-T602 PolarHBondContact O-N 3.17Å; L598-T602 PolarHBondContact O-OG1 3.45Å
599A95Very high92.9Very high62 Ų6298.1 Ų98.151%0.51250%0.504SS..Hα-helixtrans-62.6-45.3176.100000111.4S595 A596 T602 L603S595-A599 WeakPolarHBondContact O-CB 3.49Å; S595-A599 PolarHBondContact O-N 2.9Å; A596-A599 PolarHBondContact O-N 3.23Å; A599-T602 PolarHBondContact O-N 3.41Å; A599-L603 WeakPolarHBondContact O-CB 3.44Å; A599-L603 PolarHBondContact O-N 3Å
600H96Very high93.7Very high115 Ų11596.9 Ų96.953%0.53250%0.498SS..Hα-helixtrans-61-46.6176-175.1-87.5000112.2A596 R597 T602 L603 E604A596-H600 WeakPolarHBondContact O-CB 3.47Å; A596-H600 PolarHBondContact O-N 3.22Å; R597-H600 PolarHBondContact O-N 2.86Å; H600-T602 VanDerWaalsContact C-N 3.3Å; H600-T602 PolarHBondContact O-N 2.9Å; H600-L603 PolarHBondContact O-N 3.27Å; H600-E604 IonicContact CE1-OE1 2.97Å; H600-E604 PolarHBondContact CE1-OE1 3.38Å; H600-E604 IonicContact ND1-OE1 3.46Å; H600-E604 PolarHBondContact O-N 2.96Å
601E96.9Very high94.2Very high98 Ų9894.5 Ų94.546%0.45849%0.489SS..Hα-helixtrans-61.2-39.7176.4-167.1-164.8152.400111.9R597 L598 R605R597-E601 WeakPolarHBondContact O-CB 3.41Å; R597-E601 PolarHBondContact O-N 2.79Å; L598-E601 PolarHBondContact O-N 3.39Å; E601-R605 WeakPolarHBondContact O-CB 3.49Å; E601-R605 PolarHBondContact O-N 2.71Å; E601-R605 IonicContact OE1-CZ 2.8Å; E601-R605 IonicContact OE1-NH2 2.8Å; E601-R605 PolarHBondContact OE1-NH2 3.35Å
602T96.2Very high94.7Very high72 Ų7298.4 Ų98.444%0.44250%0.497SS..Hα-helixtrans-65.6-41.5178.1-57.70000111.2L598 A599 H600 R605 A606L598-T602 WeakPolarHBondContact O-CB 3.38Å; L598-T602 PolarHBondContact O-N 3.17Å; L598-T602 PolarHBondContact O-OG1 3.45Å; A599-T602 PolarHBondContact O-N 3.41Å; H600-T602 VanDerWaalsContact C-N 3.3Å; H600-T602 PolarHBondContact O-N 2.9Å; T602-R605 PolarHBondContact O-N 2.98Å; T602-A606 PolarHBondContact O-N 3.33Å
603L97.2Very high95.1Very high97 Ų9797.4 Ų97.451%0.50849%0.493SS..Hα-helixtrans-65-46.9176.4-173.2155.6000111.5A599 H600 R605 A606 Q607A599-L603 WeakPolarHBondContact O-CB 3.44Å; A599-L603 PolarHBondContact O-N 3Å; H600-L603 PolarHBondContact O-N 3.27Å; L603-R605 VanDerWaalsContact C-N 3.27Å; L603-R605 PolarHBondContact O-N 3.26Å; L603-A606 WeakPolarHBondContact O-CB 3.48Å; L603-A606 PolarHBondContact O-N 3.5Å; L603-A606 VanDerWaalsContact O-N 3.16Å; L603-Q607 VanDerWaalsContact CD2-CD 3.46Å; L603-Q607 HydrophobicContact CD2-CG 4.06Å; L603-Q607 WeakPolarHBondContact O-CG 3.5Å; L603-Q607 PolarHBondContact O-N 3.19Å
604E97.5Very high95.4Very high74 Ų7497.2 Ų97.235%0.34650%0.495SS..Hα-helixtrans-58.5-41.1175-81.5-164-165.900112.1H600 A606 Q607 K608H600-E604 IonicContact CE1-OE1 2.97Å; H600-E604 PolarHBondContact CE1-OE1 3.38Å; H600-E604 IonicContact ND1-OE1 3.46Å; H600-E604 PolarHBondContact O-N 2.96Å; E604-A606 VanDerWaalsContact C-N 3.33Å; E604-Q607 PolarHBondContact O-N 3.41Å; E604-K608 WeakPolarHBondContact O-CB 3.44Å; E604-K608 WeakPolarHBondContact O-CG 3.23Å; E604-K608 PolarHBondContact O-N 3.27Å; E604-K608 IonicContact OE2-NZ 3.15Å; E604-K608 PolarHBondContact OE2-NZ 3.06Å; E604-K608 VanDerWaalsContact OE2-NZ 3.09Å
605R97Very high95.6Very high128 Ų128102 Ų10248%0.48350%0.503SS..Hα-helixtrans-64.1-41.1178.1-165.2-175.3-60.6142.8-0.6110.9E601 T602 L603 K608 Q609E601-R605 WeakPolarHBondContact O-CB 3.49Å; E601-R605 PolarHBondContact O-N 2.71Å; E601-R605 IonicContact OE1-CZ 2.8Å; E601-R605 IonicContact OE1-NH2 2.8Å; E601-R605 PolarHBondContact OE1-NH2 3.35Å; T602-R605 PolarHBondContact O-N 2.98Å; L603-R605 VanDerWaalsContact C-N 3.27Å; L603-R605 PolarHBondContact O-N 3.26Å; R605-K608 PolarHBondContact O-N 2.81Å; R605-Q609 VanDerWaalsContact O-CG 3.31Å; R605-Q609 WeakPolarHBondContact O-CG 3.27Å; R605-Q609 PolarHBondContact O-N 2.93Å
606A96.7Very high95.8Very high59 Ų59103 Ų10349%0.48850%0.499SS..Hα-helixtrans-64.4-43.7175.800000112T602 L603 E604 Q609 H610T602-A606 PolarHBondContact O-N 3.33Å; L603-A606 WeakPolarHBondContact O-CB 3.48Å; L603-A606 PolarHBondContact O-N 3.5Å; L603-A606 VanDerWaalsContact O-N 3.16Å; E604-A606 VanDerWaalsContact C-N 3.33Å; A606-Q609 PolarHBondContact O-N 2.98Å; A606-H610 PolarHBondContact O-N 3.17Å
607Q97.2Very high95.7Very high110 Ų110105.1 Ų105.151%0.51450%0.499SS..Hα-helixtrans-60.4-46.5175.4-73.5178.9-21.600111.9L603 E604 Q609 H610 E611L603-Q607 VanDerWaalsContact CD2-CD 3.46Å; L603-Q607 HydrophobicContact CD2-CG 4.06Å; L603-Q607 WeakPolarHBondContact O-CG 3.5Å; L603-Q607 PolarHBondContact O-N 3.19Å; E604-Q607 PolarHBondContact O-N 3.41Å; Q607-Q609 VanDerWaalsContact C-N 3.31Å; Q607-Q609 PolarHBondContact O-N 3.22Å; Q607-H610 WeakPolarHBondContact O-CB 3.27Å; Q607-H610 PolarHBondContact O-N 3.3Å; Q607-E611 WeakPolarHBondContact O-CG 3.48Å; Q607-E611 PolarHBondContact O-N 3.02Å
608K96.5Very high95.3Very high122 Ų122103.1 Ų103.153%0.5350%0.495SS..Hα-helixtrans-60.8-37.7176.1-74.7168.1-177.71530112.7E604 R605 R612E604-K608 WeakPolarHBondContact O-CB 3.44Å; E604-K608 WeakPolarHBondContact O-CG 3.23Å; E604-K608 PolarHBondContact O-N 3.27Å; E604-K608 IonicContact OE2-NZ 3.15Å; E604-K608 PolarHBondContact OE2-NZ 3.06Å; E604-K608 VanDerWaalsContact OE2-NZ 3.09Å; R605-K608 PolarHBondContact O-N 2.81Å; K608-R612 WeakPolarHBondContact O-CB 3.47Å; K608-R612 PolarHBondContact O-N 3.44Å
609Q96.6Very high94.8Very high96 Ų96103.6 Ų103.645%0.44949%0.494SS..Hα-helixtrans-67.5-43.6174.6-70.7-67.2-23.800111.4R605 A606 Q607 R612 I613R605-Q609 VanDerWaalsContact O-CG 3.31Å; R605-Q609 WeakPolarHBondContact O-CG 3.27Å; R605-Q609 PolarHBondContact O-N 2.93Å; A606-Q609 PolarHBondContact O-N 2.98Å; Q607-Q609 VanDerWaalsContact C-N 3.31Å; Q607-Q609 PolarHBondContact O-N 3.22Å; Q609-R612 WeakPolarHBondContact O-CB 3.49Å; Q609-R612 PolarHBondContact O-N 3.41Å; Q609-I613 WeakPolarHBondContact O-CG1 3.38Å; Q609-I613 PolarHBondContact O-N 3.02Å
610H96.2Very high94.1Very high114 Ų114107.9 Ų107.953%0.52850%0.498SS..Hα-helixtrans-60.6-46.8176.6179.8-103.3000112A606 Q607 R612 I613 L614A606-H610 PolarHBondContact O-N 3.17Å; Q607-H610 WeakPolarHBondContact O-CB 3.27Å; Q607-H610 PolarHBondContact O-N 3.3Å; H610-R612 VanDerWaalsContact C-N 3.27Å; H610-R612 PolarHBondContact O-N 3.46Å; H610-I613 PolarHBondContact O-N 2.97Å; H610-L614 VanDerWaalsContact CE1-CD1 3.48Å; H610-L614 WeakPolarHBondContact CE1-CD1 3.49Å; H610-L614 PolarHBondContact O-N 3.04Å
611E96.7Very high93.4Very high112 Ų112106 Ų10652%0.52349%0.492SS..Hα-helixtrans-61.6-34174.4-72.5179.6175.900113.2Q607 R615Q607-E611 WeakPolarHBondContact O-CG 3.48Å; Q607-E611 PolarHBondContact O-N 3.02Å; E611-R615 WeakPolarHBondContact O-CG 3.31Å; E611-R615 PolarHBondContact O-N 2.87Å; E611-R615 VanDerWaalsContact O-N 3.17Å; E611-R615 PolarHBondContact O-NE 3.16Å
612R95.7Very high92.6Very high126 Ų126106.3 Ų106.348%0.47549%0.494SS..Hα-helixtrans-66.1-46.3173.7-179.3-176.2168.9-146.6-8.3110.9K608 Q609 H610 L614 R615 E616K608-R612 WeakPolarHBondContact O-CB 3.47Å; K608-R612 PolarHBondContact O-N 3.44Å; Q609-R612 WeakPolarHBondContact O-CB 3.49Å; Q609-R612 PolarHBondContact O-N 3.41Å; H610-R612 VanDerWaalsContact C-N 3.27Å; H610-R612 PolarHBondContact O-N 3.46Å; R612-L614 VanDerWaalsContact C-N 3.35Å; R612-L614 PolarHBondContact O-N 3.08Å; R612-R615 PolarHBondContact O-N 2.89Å; R612-E616 IonicContact CZ-OE1 3.87Å; R612-E616 IonicContact NE-OE1 2.86Å; R612-E616 PolarHBondContact NE-OE1 3.32Å; R612-E616 IonicContact NH2-OE1 2.7Å; R612-E616 PolarHBondContact NH2-OE1 3Å; R612-E616 WeakPolarHBondContact O-CG 3.48Å; R612-E616 PolarHBondContact O-N 3.17Å
613I95.9Very high91.6Very high93 Ų93107.8 Ų107.848%0.47750%0.499SS..Hα-helixtrans-60.5-44.8178.6-68.1164.3000110.6Q609 H610 R615 E616 Q617Q609-I613 WeakPolarHBondContact O-CG1 3.38Å; Q609-I613 PolarHBondContact O-N 3.02Å; H610-I613 PolarHBondContact O-N 2.97Å; I613-R615 VanDerWaalsContact C-N 3.31Å; I613-R615 PolarHBondContact O-N 3.26Å; I613-E616 PolarHBondContact O-N 3.06Å; I613-Q617 WeakPolarHBondContact O-CB 3.44Å; I613-Q617 PolarHBondContact O-N 3.31Å
614L95.6Very high90.3Very high86 Ų86106.2 Ų106.245%0.4549%0.49SS..Hα-helixtrans-61.6-38.2177.3-71.5178.8000112.6H610 R612 K618H610-L614 VanDerWaalsContact CE1-CD1 3.48Å; H610-L614 WeakPolarHBondContact CE1-CD1 3.49Å; H610-L614 PolarHBondContact O-N 3.04Å; R612-L614 VanDerWaalsContact C-N 3.35Å; R612-L614 PolarHBondContact O-N 3.08Å; L614-K618 WeakPolarHBondContact O-CB 3.39Å; L614-K618 PolarHBondContact O-N 3.37Å
615R93.1Very high88.2Confident166 Ų166111.8 Ų111.863%0.62651%0.509SS*.Hα-helixtrans-66.8-43.5174.4-76.7-175-70.8165.3-5.9112.3E611 R612 I613 Q617 K618 Q619E611-R615 WeakPolarHBondContact O-CG 3.31Å; E611-R615 PolarHBondContact O-N 2.87Å; E611-R615 VanDerWaalsContact O-N 3.17Å; E611-R615 PolarHBondContact O-NE 3.16Å; R612-R615 PolarHBondContact O-N 2.89Å; I613-R615 VanDerWaalsContact C-N 3.31Å; I613-R615 PolarHBondContact O-N 3.26Å; R615-Q617 VanDerWaalsContact C-N 3.34Å; R615-K618 PolarHBondContact O-N 3.33Å; R615-Q619 WeakPolarHBondContact O-CB 3.36Å; R615-Q619 PolarHBondContact O-N 3.09Å
616E91.6Very high86.2Confident88 Ų88107.7 Ų107.741%0.41150%0.501SS..Hα-helixtrans-62.9-41.3176.5-72.9176.2-178.300111.1R612 I613 Q619 Y620R612-E616 IonicContact CZ-OE1 3.87Å; R612-E616 IonicContact NE-OE1 2.86Å; R612-E616 PolarHBondContact NE-OE1 3.32Å; R612-E616 IonicContact NH2-OE1 2.7Å; R612-E616 PolarHBondContact NH2-OE1 3Å; R612-E616 WeakPolarHBondContact O-CG 3.48Å; R612-E616 PolarHBondContact O-N 3.17Å; I613-E616 PolarHBondContact O-N 3.06Å; E616-Q619 PolarHBondContact O-N 3.04Å; E616-Y620 WeakPolarHBondContact O-CB 3.49Å; E616-Y620 PolarHBondContact O-N 3.34Å
617Q90.7Very high84.2Confident107 Ų107110 Ų11050%0.551%0.511SS..Hα-helixtrans-64.9-42.2175.6-171.317713.100112I613 R615 Y620 N621I613-Q617 WeakPolarHBondContact O-CB 3.44Å; I613-Q617 PolarHBondContact O-N 3.31Å; R615-Q617 VanDerWaalsContact C-N 3.34Å; Q617-Y620 PolarHBondContact O-N 3.31Å; Q617-N621 WeakPolarHBondContact O-CB 3.41Å; Q617-N621 VanDerWaalsContact O-CG 3.25Å; Q617-N621 PolarHBondContact O-N 3.24Å
618K87.7Confident82.1Confident134 Ų134110.6 Ų110.658%0.58352%0.517SS*.Hα-helixtrans-61-46.1174.7-173178.3177.4-1760111.2L614 R615 Y620 N621 E622L614-K618 WeakPolarHBondContact O-CB 3.39Å; L614-K618 PolarHBondContact O-N 3.37Å; R615-K618 PolarHBondContact O-N 3.33Å; K618-Y620 VanDerWaalsContact C-N 3.35Å; K618-Y620 PolarHBondContact O-N 2.95Å; K618-N621 PolarHBondContact O-N 2.98Å; K618-E622 WeakPolarHBondContact CE-OE1 3.34Å; K618-E622 WeakPolarHBondContact O-CB 3.49Å; K618-E622 WeakPolarHBondContact O-CG 3.31Å; K618-E622 PolarHBondContact O-N 3Å
619Q85.1Confident80Confident116 Ų116107.6 Ų107.654%0.54252%0.515SS..Hα-helixtrans-64.4-38.4177.7-169.8-179.63.800112.3R615 E616 E622 N623R615-Q619 WeakPolarHBondContact O-CB 3.36Å; R615-Q619 PolarHBondContact O-N 3.09Å; E616-Q619 PolarHBondContact O-N 3.04Å; Q619-E622 PolarHBondContact O-N 3.45Å; Q619-N623 WeakPolarHBondContact O-CB 3.41Å; Q619-N623 VanDerWaalsContact O-CG 3.24Å; Q619-N623 PolarHBondContact O-N 2.99Å
620Y81Confident77.6Confident153 Ų153111.9 Ų111.960%0.653%0.528SS*.Hα-helixtrans-63.6-45.1174.9-179.2-100.3000111.7E616 Q617 K618 N623 I624E616-Y620 WeakPolarHBondContact O-CB 3.49Å; E616-Y620 PolarHBondContact O-N 3.34Å; Q617-Y620 PolarHBondContact O-N 3.31Å; K618-Y620 VanDerWaalsContact C-N 3.35Å; K618-Y620 PolarHBondContact O-N 2.95Å; Y620-N623 PolarHBondContact O-N 3.23Å; Y620-I624 HydrophobicContact CD1-CD1 3.76Å; Y620-I624 HydrophobicContact CD2-CD1 4.05Å; Y620-I624 HydrophobicContact CE1-CD1 3.19Å; Y620-I624 HydrophobicContact CE1-CG1 4.48Å; Y620-I624 HydrophobicContact CE2-CD1 3.51Å; Y620-I624 HydrophobicContact CE2-CG1 4.46Å; Y620-I624 HydrophobicContact CG-CD1 4.17Å; Y620-I624 WeakPolarHBondContact O-CG1 3.48Å; Y620-I624 PolarHBondContact O-N 3.42Å; Y620-I624 VanDerWaalsContact OH-CD1 3.25Å; Y620-I624 WeakPolarHBondContact OH-CD1 3.48Å
621N79.9Confident75.3Confident76 Ų76110.1 Ų110.141%0.40653%0.529SS..Hα-helixtrans-64.4-41.5176.1-69.6-12.9000111.8Q617 K618 N623 I624 Y625Q617-N621 WeakPolarHBondContact O-CB 3.41Å; Q617-N621 VanDerWaalsContact O-CG 3.25Å; Q617-N621 PolarHBondContact O-N 3.24Å; K618-N621 PolarHBondContact O-N 2.98Å; N621-N623 VanDerWaalsContact C-N 3.34Å; N621-I624 PolarHBondContact O-N 3.16Å; N621-Y625 WeakPolarHBondContact O-CB 3.36Å; N621-Y625 PolarHBondContact O-N 3.02Å
622E80.5Confident72.8Confident104 Ų104113.8 Ų113.849%0.48655%0.546SS..Hα-helixtrans-60.9-41.8173.1-75.4173.1-173.900111.1K618 Q619 S626K618-E622 WeakPolarHBondContact CE-OE1 3.34Å; K618-E622 WeakPolarHBondContact O-CB 3.49Å; K618-E622 WeakPolarHBondContact O-CG 3.31Å; K618-E622 PolarHBondContact O-N 3Å; Q619-E622 PolarHBondContact O-N 3.45Å; E622-S626 VanDerWaalsContact O-CA 3.3Å; E622-S626 WeakPolarHBondContact O-CA 3.37Å; E622-S626 WeakPolarHBondContact O-CB 3.39Å; E622-S626 PolarHBondContact O-N 3.23Å
623N76Confident70.2Confident103 Ų103112.9 Ų112.955%0.55156%0.558SS**Hα-helixtrans-73.7-27.9-179.5-72.6-12.9000114.2Q619 Y620 N621 A629Q619-N623 WeakPolarHBondContact O-CB 3.41Å; Q619-N623 VanDerWaalsContact O-CG 3.24Å; Q619-N623 PolarHBondContact O-N 2.99Å; Y620-N623 PolarHBondContact O-N 3.23Å; N621-N623 VanDerWaalsContact C-N 3.34Å; N623-A629 WeakPolarHBondContact O-CB 3.36Å
624I68.2Low67.5Low64 Ų64117 Ų11733%0.32858%0.575SS.*Hα-helixtrans-85.3-37.7179.5-72.6177.1000112.1Y620 N621Y620-I624 HydrophobicContact CD1-CD1 3.76Å; Y620-I624 HydrophobicContact CD2-CD1 4.05Å; Y620-I624 HydrophobicContact CE1-CD1 3.19Å; Y620-I624 HydrophobicContact CE1-CG1 4.48Å; Y620-I624 HydrophobicContact CE2-CD1 3.51Å; Y620-I624 HydrophobicContact CE2-CG1 4.46Å; Y620-I624 HydrophobicContact CG-CD1 4.17Å; Y620-I624 WeakPolarHBondContact O-CG1 3.48Å; Y620-I624 PolarHBondContact O-N 3.42Å; Y620-I624 VanDerWaalsContact OH-CD1 3.25Å; Y620-I624 WeakPolarHBondContact OH-CD1 3.48Å; N621-I624 PolarHBondContact O-N 3.16Å
625Y54.6Low64.8Low190 Ų190118.4 Ų118.475%0.74559%0.591SS**Hα-helixtrans-104.32.9-177.3-67.8-79.5000113.4N621 P627N621-Y625 WeakPolarHBondContact O-CB 3.36Å; N621-Y625 PolarHBondContact O-N 3.02Å; Y625-P627 WeakPolarHBondContact O-CD 3.48Å
626S54.4Low62.3Low43 Ų43119.8 Ų119.830%0.30160%0.601SS.*SBendtrans-66.2127.4168.5172.20000108.5E622 N628 A629E622-S626 VanDerWaalsContact O-CA 3.3Å; E622-S626 WeakPolarHBondContact O-CA 3.37Å; E622-S626 WeakPolarHBondContact O-CB 3.39Å; E622-S626 PolarHBondContact O-N 3.23Å; S626-N628 PolarHBondContact O-N 3.26Å; S626-N628 PolarHBondContact OG-N 3.46Å; S626-A629 WeakPolarHBondContact O-CB 3.44Å; S626-A629 PolarHBondContact O-N 3Å
627P53.9Low59.6Low108 Ų108126.3 Ų126.370%0.70162%0.622SS**G310 helixtrans-51.2-20.9174.2-27.134.7000113.8Y625Y625-P627 WeakPolarHBondContact O-CD 3.48Å
628N53.9Low57.3Low122 Ų122128.8 Ų128.865%0.65264%0.637SS**G310 helixtrans-80.3-14.2179.6-69-7.5000114.4S626 Y630 S631S626-N628 PolarHBondContact O-N 3.26Å; S626-N628 PolarHBondContact OG-N 3.46Å; N628-Y630 PolarHBondContact O-N 3.03Å; N628-S631 PolarHBondContact O-N 3.36Å
629A51.8Low55Low58 Ų58130.1 Ų130.148%0.47965%0.645SS.*G310 helixtrans-65.1-22.117800000112.6N623 S626N623-A629 WeakPolarHBondContact O-CB 3.36Å; S626-A629 WeakPolarHBondContact O-CB 3.44Å; S626-A629 PolarHBondContact O-N 3Å
630Y46.4Very low53Low186 Ų186135.8 Ų135.873%0.72968%0.677SS**G310 helixtrans-102.40.9177.8-67.3-80.8000113.9N628 E632N628-Y630 PolarHBondContact O-N 3.03Å; Y630-E632 VanDerWaalsContact C-N 3.33Å; Y630-E632 PolarHBondContact O-N 3.43Å
631S48.6Very low51.6Low77 Ų77135 Ų13554%0.53868%0.681SS.*THydrogen-bonded Turntrans-81.4-4.5-177.5-680000114.5N628 C633N628-S631 PolarHBondContact O-N 3.36Å; S631-C633 VanDerWaalsContact C-N 3.26Å; S631-C633 PolarHBondContact O-N 3.11Å
632E44.5Very low50.1Low190 Ų190138.1 Ų138.189%0.88870%0.695SS**THydrogen-bonded Turntrans-86.913173.4-72.9-171.2-17900114.1Y630 E634Y630-E632 VanDerWaalsContact C-N 3.33Å; Y630-E632 PolarHBondContact O-N 3.43Å; E632-E634 PolarHBondContact O-N 3.45Å
633C40.7Very low48.4Very low106 Ų106139.9 Ų139.972%0.71671%0.707SS**  trans-8958.7161.4-72.10000110.2S631 C635S631-C633 VanDerWaalsContact C-N 3.26Å; S631-C633 PolarHBondContact O-N 3.11Å; C633-C635 PolarHBondContact O-N 3.26Å
634E39.1Very low46.8Very low181 Ų181142.1 Ų142.185%0.84672%0.716SS**  trans-66.989.7161.9-83.5-172.4162.400108.3E632 K636E632-E634 PolarHBondContact O-N 3.45Å; E634-K636 PolarHBondContact O-N 3.1Å
635C38.4Very low45.5Very low114 Ų114147 Ų14777%0.7774%0.74SS**  trans-52.9108162.3-72.10000108.2C633 R637C633-C635 PolarHBondContact O-N 3.26Å; C635-R637 PolarHBondContact O-N 3.33Å
636K40.4Very low44.9Very low195 Ų195144.1 Ų144.185%0.84874%0.74SS**  trans-46.6108.3164.7-70.3178177.4179.10108.5E634 I638E634-K636 PolarHBondContact O-N 3.1Å; K636-I638 PolarHBondContact O-N 3.12Å; K636-I638 VanDerWaalsContact O-N 3.15Å
637R36.3Very low44.2Very low226 Ų226151.4 Ų151.485%0.85377%0.771SS**  trans-62.5112.5162.6-75.7-175.5-178.9-166.70.2106.7C635 E639C635-R637 PolarHBondContact O-N 3.33Å; R637-E639 PolarHBondContact O-N 3.29Å
638I42.1Very low43.4Very low159 Ų159154.7 Ų154.782%0.81578%0.777SS**  trans-75.9105.7161.3-63.8170.2000104.5K636K636-I638 PolarHBondContact O-N 3.12Å; K636-I638 VanDerWaalsContact O-N 3.15Å
639E39.1Very low42.6Very low161 Ų161157.4 Ų157.475%0.75279%0.787SS**  trans-83121.6167.2-72.7-179.7165.200108.4R637R637-E639 PolarHBondContact O-N 3.29Å
640I43.7Very low41.7Very low236 Ų236166.5 Ų166.5100%1.2182%0.815SS**  trans66.60162.4-50.7176.7000116.7

Retrieved 640 of 640 residues in 360.6 ms (Link to these results)