A0A087XSH1_POEFO Loading...

tRNA:m(4)X modification enzyme TRM13

tRNA methylase which 2'-O-methylates cytidine(4) in tRNA(Pro) and tRNA(Gly)(GCC), and adenosine(4) in tRNA(His).

AlphaFold DB , UniProt , Accession A0A087XSH1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 451 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
1I31.4Very low30.2Very low221 Ų221141.6 Ų141.6100%1.13380%0.803SS**  0112.50-49.5173.9000105.6
2D26Very low30.5Very low140 Ų140141.3 Ų141.375%0.74981%0.806SS**  cis-167.2158-5.8-153.4-1.4000108.2
3V28.3Very low30.8Very low99 Ų99140.8 Ų140.860%0.680%0.799SS**  trans41.4111.8161-150.40000120.4
4S28.1Very low31.5Very low117 Ų117139.1 Ų139.182%0.81880%0.796SS**  trans-139.392.2141.5-59.90000108.4H6S4-H6 PolarHBondContact O-N 3.26Å
5S29.4Very low32.5Very low87 Ų87138 Ų13861%0.60879%0.793SS**  trans-66.8108.8173.939.30000109.9
6H30.3Very low33.8Very low179 Ų179138.3 Ų138.383%0.82979%0.79SS**  trans-106.9101.8159.6-86.320.5000107.8S4 P8S4-H6 PolarHBondContact O-N 3.26Å; H6-P8 WeakPolarHBondContact O-CD 3.18Å
7F29.6Very low35.8Very low200 Ų200139.4 Ų139.488%0.87778%0.784SS**  trans-70121.1163.4-83.4-90.5000108.4
8P32.8Very low38.2Very low115 Ų115141.5 Ų141.575%0.74778%0.778SS**  trans-83.8121.7167.222.5-11.1000109.6H6H6-P8 WeakPolarHBondContact O-CD 3.18Å
9H30.6Very low40.7Very low188 Ų188134.1 Ų134.187%0.8774%0.737SS**  trans12.9105.3156.1-70-78.3000117.3A11H9-A11 PolarHBondContact O-N 3.21Å; H9-A11 VanDerWaalsContact O-N 3.12Å
10S31.6Very low43Very low115 Ų115130.5 Ų130.580%0.80472%0.722SS**  trans-61.2110156.843.60000109.3V12S10-V12 PolarHBondContact O-N 3.4Å
11A34.4Very low45Very low97 Ų97126.9 Ų126.980%0.80270%0.699SS**  trans-60117.6165.700000108.7H9 D13H9-A11 PolarHBondContact O-N 3.21Å; H9-A11 VanDerWaalsContact O-N 3.12Å; A11-D13 PolarHBondContact O-N 3.21Å; A11-D13 VanDerWaalsContact O-N 3.12Å
12V33.1Very low47.4Very low137 Ų137120.3 Ų120.383%0.8366%0.662SS**  trans-66.7105.8174.8-179.70000108.2S10S10-V12 PolarHBondContact O-N 3.4Å
13D34.8Very low50.1Low135 Ų135115.3 Ų115.372%0.72264%0.637SS**  trans-69126174.3-128.1-16.8000109.3A11 V15A11-D13 PolarHBondContact O-N 3.21Å; A11-D13 VanDerWaalsContact O-N 3.12Å; D13-V15 VanDerWaalsContact C-N 3.32Å; D13-V15 HydrophobicContact CB-CG2 4.23Å; D13-V15 PolarHBondContact O-N 2.7Å
14P40.3Very low52.4Low117 Ų117118.6 Ų118.676%0.7665%0.646SS**  trans-78.179.2-177.430-32000111.1L16P14-L16 VanDerWaalsContact C-N 3.33Å; P14-L16 PolarHBondContact O-N 3.03Å
15V47.2Very low54.5Low123 Ų123119.5 Ų119.575%0.74564%0.635SS**  trans-89.554.3175.6-166.60000111.3D13D13-V15 VanDerWaalsContact C-N 3.32Å; D13-V15 HydrophobicContact CB-CG2 4.23Å; D13-V15 PolarHBondContact O-N 2.7Å
16L53.5Low56.7Low142 Ų142121.2 Ų121.274%0.74363%0.631SS**  trans-121.86.2-172-91.4166000118.7P14P14-L16 VanDerWaalsContact C-N 3.33Å; P14-L16 PolarHBondContact O-N 3.03Å
17F67.6Low59.2Low157 Ų157119 Ų11969%0.68963%0.626SS**SBendtrans-14546178.6-63.9-75.2000115V33F17-V33 HydrophobicContact CB-CG1 4.22Å
18R78.9Confident61.7Low178 Ų178114 Ų11467%0.67260%0.601SS**SBendtrans-122146.8175.4-67.6-173.9-179.3174.75.6111.4S20R18-S20 PolarHBondContact O-N 3.03Å
19C86Confident64.2Low1 Ų1114.2 Ų114.21%0.00759%0.59CS.*  trans-62.6128.7178.5169.60000111.2F21 C30 M32 P34 S39 C41 H44C19-F21 PolarHBondContact O-N 3.44Å; C19-F21 VanDerWaalsContact SG-CB 3.55Å; C19-F21 PolarHBondContact SG-N 2.9Å; C19-C30 HydrophobicContact CB-CB 3.81Å; C19-M32 WeakPolarHBondContact CB-O 3.26Å; C19-M32 PolarHBondContact N-O 3.14Å; C19-P34 HydrophobicContact CB-CG 4.26Å; C19-S39 WeakPolarHBondContact CA-O 3.3Å; C19-C41 HydrophobicContact CB-CB 3.82Å; C19-C41 PolarHBondContact SG-N 3.32Å; C19-C41 VanDerWaalsContact SG-SG 3.68Å; C19-H44 PolarHBondContact SG-ND1 3.34Å; C19-H44 VanDerWaalsContact SG-ND1 3.42Å
20S87.1Confident66.6Low61 Ų61105.9 Ų105.943%0.42755%0.553SS.*  trans-69.81.3-178.6-55.40000114.5R18 F22 F29 S39R18-S20 PolarHBondContact O-N 3.03Å; S20-F22 PolarHBondContact O-N 3.09Å; S20-F29 WeakPolarHBondContact O-CE1 3.5Å; S20-S39 PolarHBondContact N-O 3.28Å; S20-S39 PolarHBondContact OG-O 3.18Å
21F83.3Confident69.2Low55 Ų55107 Ų10724%0.24154%0.543CS..  trans-74.5124.2177.4-174.1-93.5000111.4C19 V23 F29 C30 F40 H44 M47C19-F21 PolarHBondContact O-N 3.44Å; C19-F21 VanDerWaalsContact SG-CB 3.55Å; C19-F21 PolarHBondContact SG-N 2.9Å; F21-V23 HydrophobicContact CD1-CG2 3.94Å; F21-V23 HydrophobicContact CE1-CG2 4.11Å; F21-F29 CarbonylContact O-C 3.51Å; F21-F29 WeakPolarHBondContact O-CA 3.37Å; F21-C30 HydrophobicContact CB-CB 4.21Å; F21-C30 PolarHBondContact O-N 2.93Å; F21-F40 HydrophobicContact CB-CD1 3.97Å; F21-F40 HydrophobicContact CB-CE1 4.1Å; F21-H44 HydrophobicContact CB-CB 3.87Å; F21-H44 VanDerWaalsContact CB-ND1 3.27Å; F21-H44 WeakPolarHBondContact CB-ND1 3.45Å; F21-H44 AromaticContact CD1-CD2 3.67Å; F21-H44 AromaticContact CD1-CE1 3.26Å; F21-H44 WeakPolarHBondContact CD1-CE1 3.36Å; F21-H44 AromaticContact CD1-CG 3.93Å; F21-H44 AromaticContact CD1-ND1 3.69Å; F21-H44 AromaticContact CD1-NE2 3.26Å; F21-H44 VanDerWaalsContact CD1-NE2 3.26Å; F21-H44 WeakPolarHBondContact CD1-NE2 3.32Å; F21-H44 HydrophobicContact CD2-CB 4.13Å; F21-H44 AromaticContact CD2-CD2 3.7Å; F21-H44 AromaticContact CD2-CG 3.8Å; F21-H44 AromaticContact CE1-CD2 3.92Å; F21-H44 AromaticContact CE1-CE1 3.92Å; F21-H44 AromaticContact CE1-NE2 3.45Å; F21-H44 WeakPolarHBondContact CE1-NE2 3.37Å; F21-H44 AromaticContact CE2-CD2 3.95Å; F21-H44 HydrophobicContact CG-CB 4.1Å; F21-H44 AromaticContact CG-CD2 3.54Å; F21-H44 AromaticContact CG-CE1 3.59Å; F21-H44 AromaticContact CG-CG 3.46Å; F21-H44 VanDerWaalsContact CG-CG 3.46Å; F21-H44 AromaticContact CG-ND1 3.49Å; F21-H44 WeakPolarHBondContact CG-ND1 3.43Å; F21-H44 AromaticContact CG-NE2 3.65Å; F21-M47 HydrophobicContact CD2-CE 3.91Å; F21-M47 HydrophobicContact CD2-CG 4.03Å; F21-M47 HydrophobicContact CD2-SD 4.43Å; F21-M47 HydrophobicContact CE2-CE 3.71Å; F21-M47 HydrophobicContact CE2-CG 4.41Å; F21-M47 HydrophobicContact CE2-SD 4.26Å
22F82.8Confident71.6Confident84 Ų84107.7 Ų107.737%0.36853%0.531SS..EExtended strand (participates in β ladder)trans-88.9117.4177-166.6-100000111.6S20 Q24 N27 F29S20-F22 PolarHBondContact O-N 3.09Å; F22-Q24 HydrophobicContact CD1-CG 4.13Å; F22-Q24 PolarHBondContact O-N 3.25Å; F22-N27 WeakPolarHBondContact CZ-OD1 3.44Å; F22-F29 HydrophobicContact CB-CD1 4.22Å; F22-F29 HydrophobicContact CB-CE1 4.05Å; F22-F29 HydrophobicContact CD2-CD1 4.02Å; F22-F29 HydrophobicContact CD2-CD2 4.03Å; F22-F29 AromaticContact CD2-CE1 3.88Å; F22-F29 HydrophobicContact CD2-CE1 3.88Å; F22-F29 AromaticContact CD2-CE2 3.89Å; F22-F29 HydrophobicContact CD2-CE2 3.89Å; F22-F29 HydrophobicContact CD2-CG 4.1Å; F22-F29 AromaticContact CD2-CZ 3.81Å; F22-F29 HydrophobicContact CD2-CZ 3.81Å; F22-F29 HydrophobicContact CE2-CD2 4.42Å; F22-F29 HydrophobicContact CE2-CE2 4.26Å; F22-F29 HydrophobicContact CG-CE1 4.47Å
23V82.8Confident74.1Confident35 Ų35105.7 Ų105.721%0.21252%0.519CS..EExtended strand (participates in β ladder)trans-86.888.3177.4-173.10000108.5F21 K25 K26 N27 R28 C30F21-V23 HydrophobicContact CD1-CG2 3.94Å; F21-V23 HydrophobicContact CE1-CG2 4.11Å; V23-K25 PolarHBondContact O-N 3.09Å; V23-K25 VanDerWaalsContact O-N 3.15Å; V23-K26 HydrophobicContact CB-CB 4.38Å; V23-K26 HydrophobicContact CG1-CB 3.99Å; V23-K26 HydrophobicContact CG1-CD 4.2Å; V23-K26 HydrophobicContact CG1-CG 4.03Å; V23-K26 CarbonylContact O-C 3.54Å; V23-K26 PolarHBondContact O-N 3.09Å; V23-N27 PolarHBondContact O-N 3.38Å; V23-N27 VanDerWaalsContact O-N 3.08Å; V23-R28 WeakPolarHBondContact CB-O 3.43Å; V23-R28 PolarHBondContact N-O 2.67Å; V23-C30 HydrophobicContact CG2-CB 4.49Å
24Q77.1Confident76.4Confident168 Ų168100.1 Ų100.179%0.78549%0.49SS*.G310 helixtrans-45.2-49.6-177.1-72.3-178.9-1300112.4F22 K26 N27F22-Q24 HydrophobicContact CD1-CG 4.13Å; F22-Q24 PolarHBondContact O-N 3.25Å; Q24-K26 PolarHBondContact O-N 2.99Å; Q24-K26 VanDerWaalsContact O-N 3.12Å; Q24-N27 PolarHBondContact O-N 2.84Å
25K70.8Confident78.2Confident135 Ų13596.5 Ų96.559%0.58747%0.474SS*.G310 helixtrans-59.3-26.3-178.9-167.9164.6-171.4156.70115.8V23 Q369V23-K25 PolarHBondContact O-N 3.09Å; V23-K25 VanDerWaalsContact O-N 3.15Å; K25-Q369 VanDerWaalsContact NZ-CD 3.32Å
26K76.8Confident79.6Confident123 Ų123101 Ų10154%0.53548%0.484SS..G310 helixtrans-109.65.9-179.7-64.9-176.7179.3173.40111.9V23 Q24 R28V23-K26 HydrophobicContact CB-CB 4.38Å; V23-K26 HydrophobicContact CG1-CB 3.99Å; V23-K26 HydrophobicContact CG1-CD 4.2Å; V23-K26 HydrophobicContact CG1-CG 4.03Å; V23-K26 CarbonylContact O-C 3.54Å; V23-K26 PolarHBondContact O-N 3.09Å; Q24-K26 PolarHBondContact O-N 2.99Å; Q24-K26 VanDerWaalsContact O-N 3.12Å; K26-R28 HydrophobicContact CB-CG 3.95Å; K26-R28 WeakPolarHBondContact O-CG 3.38Å; K26-R28 PolarHBondContact O-N 2.76Å; K26-R28 VanDerWaalsContact O-N 3.14Å
27N82.3Confident80.6Confident134 Ų13498.6 Ų98.672%0.71749%0.493SS*.THydrogen-bonded Turntrans42.145.8-175.9-160.320.9000113.4F22 V23 Q24F22-N27 WeakPolarHBondContact CZ-OD1 3.44Å; V23-N27 PolarHBondContact O-N 3.38Å; V23-N27 VanDerWaalsContact O-N 3.08Å; Q24-N27 PolarHBondContact O-N 2.84Å
28R82.9Confident81.1Confident95 Ų9596.5 Ų96.536%0.35848%0.481SS..EExtended strand (participates in β ladder)trans-157.6153.9-178.167.5-171.4177.484.4-8.7112.7V23 K26 K31V23-R28 WeakPolarHBondContact CB-O 3.43Å; V23-R28 PolarHBondContact N-O 2.67Å; K26-R28 HydrophobicContact CB-CG 3.95Å; K26-R28 WeakPolarHBondContact O-CG 3.38Å; K26-R28 PolarHBondContact O-N 2.76Å; K26-R28 VanDerWaalsContact O-N 3.14Å; R28-K31 VanDerWaalsContact NH1-CG 3.28Å
29F83.8Confident81.2Confident119 Ų11991 Ų9152%0.52247%0.469SS..EExtended strand (participates in β ladder)trans-64.8150.9169.7-70.6-80.8000112.5S20 F21 F22 K31S20-F29 WeakPolarHBondContact O-CE1 3.5Å; F21-F29 CarbonylContact O-C 3.51Å; F21-F29 WeakPolarHBondContact O-CA 3.37Å; F22-F29 HydrophobicContact CB-CD1 4.22Å; F22-F29 HydrophobicContact CB-CE1 4.05Å; F22-F29 HydrophobicContact CD2-CD1 4.02Å; F22-F29 HydrophobicContact CD2-CD2 4.03Å; F22-F29 AromaticContact CD2-CE1 3.88Å; F22-F29 HydrophobicContact CD2-CE1 3.88Å; F22-F29 AromaticContact CD2-CE2 3.89Å; F22-F29 HydrophobicContact CD2-CE2 3.89Å; F22-F29 HydrophobicContact CD2-CG 4.1Å; F22-F29 AromaticContact CD2-CZ 3.81Å; F22-F29 HydrophobicContact CD2-CZ 3.81Å; F22-F29 HydrophobicContact CE2-CD2 4.42Å; F22-F29 HydrophobicContact CE2-CE2 4.26Å; F22-F29 HydrophobicContact CG-CE1 4.47Å; F29-K31 PolarHBondContact O-N 2.96Å
30C82.4Confident81Confident12 Ų1292.5 Ų92.58%0.08148%0.476CS..  trans-57.1131.1175.7-178.30000110.2C19 F21 V23 M32 H44C19-C30 HydrophobicContact CB-CB 3.81Å; F21-C30 HydrophobicContact CB-CB 4.21Å; F21-C30 PolarHBondContact O-N 2.93Å; V23-C30 HydrophobicContact CG2-CB 4.49Å; C30-M32 PolarHBondContact O-N 3.17Å; C30-H44 VanDerWaalsContact SG-CE1 3.52Å
31K86.5Confident80.7Confident138 Ų13889.7 Ų89.760%0.646%0.456SS*.  trans-78.7-7.4-179.2-79.2178.8-179.9-170.60113.5R28 F29R28-K31 VanDerWaalsContact NH1-CG 3.28Å; F29-K31 PolarHBondContact O-N 2.96Å
32M84.3Confident80.2Confident112 Ų11289.4 Ų89.455%0.55247%0.469SS*.SBendtrans-76.1143.8-176.5-60.2-61-71.600110.4C19 C30 C41C19-M32 WeakPolarHBondContact CB-O 3.26Å; C19-M32 PolarHBondContact N-O 3.14Å; C30-M32 PolarHBondContact O-N 3.17Å; M32-C41 HydrophobicContact CB-CB 3.42Å; M32-C41 VanDerWaalsContact CB-CB 3.42Å; M32-C41 VanDerWaalsContact CB-SG 3.57Å
33V84.6Confident79.8Confident95 Ų9590.9 Ų90.958%0.57648%0.477SS*.PPolyproline II helixtrans-83.4128.7-179-178.40000109.6F17F17-V33 HydrophobicContact CB-CG1 4.22Å
34P84.1Confident79.4Confident18 Ų1891.1 Ų91.112%0.11748%0.476CS..PPolyproline II helixtrans-64.8156.8170.7-23.136.4000112.8C19 R38C19-P34 HydrophobicContact CB-CG 4.26Å; P34-R38 HydrophobicContact CB-CB 4.29Å; P34-R38 WeakPolarHBondContact CB-O 3.2Å
35G78.6Confident79.1Confident41 Ų4184.3 Ų84.342%0.42345%0.448SS..PPolyproline II helixtrans-63.7158.6166.600000111.1G37 R38G35-G37 PolarHBondContact O-N 2.58Å; G35-G37 VanDerWaalsContact O-N 3.16Å; G35-R38 PolarHBondContact O-N 3.03Å
36K75.3Confident78.8Confident218 Ų21881.9 Ų81.995%0.94845%0.445SS*.THydrogen-bonded Turntrans-52.1124.4175.8-75.5-173.3178.4-176.80109.9
37G74.8Confident78.2Confident91 Ų9181 Ų8194%0.93844%0.443SS*.THydrogen-bonded Turntrans80.35.918000000115.9G35G35-G37 PolarHBondContact O-N 2.58Å; G35-G37 VanDerWaalsContact O-N 3.16Å
38R78.4Confident77.2Confident113 Ų11376.5 Ų76.543%0.42642%0.418SS..  trans-108.6150176.4-59.4-165.1-175.7-160.3-1.8111.8P34 G35P34-R38 HydrophobicContact CB-CB 4.29Å; P34-R38 WeakPolarHBondContact CB-O 3.2Å; G35-R38 PolarHBondContact O-N 3.03Å
39S81.3Confident75.6Confident62 Ų6281.5 Ų81.543%0.43445%0.446SS..SBendtrans-88-24.4173.2-57.70000112.4C19 S20 E48C19-S39 WeakPolarHBondContact CA-O 3.3Å; S20-S39 PolarHBondContact N-O 3.28Å; S20-S39 PolarHBondContact OG-O 3.18Å; S39-E48 WeakPolarHBondContact CA-OE1 3.16Å; S39-E48 PolarHBondContact N-OE1 3.03Å
40F81.1Confident74.2Confident33 Ų3379.8 Ų79.815%0.14546%0.462CS..SBendtrans-114.5148.4-179.4-61.2-85000113.6F21 H44 M47 E48F21-F40 HydrophobicContact CB-CD1 3.97Å; F21-F40 HydrophobicContact CB-CE1 4.1Å; F40-H44 HydrophobicContact CB-CB 4.11Å; F40-H44 VanDerWaalsContact CB-O 3.23Å; F40-H44 WeakPolarHBondContact CB-O 3.12Å; F40-H44 HydrophobicContact CD1-CB 3.98Å; F40-H44 HydrophobicContact CG-CB 4.43Å; F40-H44 WeakPolarHBondContact CG-O 3.31Å; F40-M47 HydrophobicContact CD1-CB 3.88Å; F40-M47 HydrophobicContact CD1-CG 4.29Å; F40-M47 HydrophobicContact CD2-CB 3.94Å; F40-M47 HydrophobicContact CE1-CB 3.66Å; F40-M47 HydrophobicContact CE1-CG 4.2Å; F40-M47 HydrophobicContact CE2-CB 3.72Å; F40-M47 WeakPolarHBondContact CE2-O 3.38Å; F40-M47 HydrophobicContact CG-CB 4.02Å; F40-M47 HydrophobicContact CZ-CB 3.58Å; F40-E48 HydrophobicContact CD2-CB 4.3Å; F40-E48 HydrophobicContact CD2-CG 3.91Å; F40-E48 HydrophobicContact CE2-CG 4.37Å; F40-E48 PolarHBondContact N-OE1 3.28Å
41C81.1Confident72.6Confident3 Ų383.3 Ų83.32%0.0248%0.482CS..  trans-72.6167.217269.80000111C19 M32 E43 H44 A45C19-C41 HydrophobicContact CB-CB 3.82Å; C19-C41 PolarHBondContact SG-N 3.32Å; C19-C41 VanDerWaalsContact SG-SG 3.68Å; M32-C41 HydrophobicContact CB-CB 3.42Å; M32-C41 VanDerWaalsContact CB-CB 3.42Å; M32-C41 VanDerWaalsContact CB-SG 3.57Å; C41-E43 PolarHBondContact O-N 2.73Å; C41-H44 CarbonylContact O-C 3.51Å; C41-H44 PolarHBondContact O-N 3.15Å; C41-A45 PolarHBondContact O-N 3.14Å
42G72.6Confident71Confident49 Ų4980.4 Ų80.451%0.50549%0.492SS..THydrogen-bonded Turntrans-54.2-25.2-179.300000115.6R56G42-R56 PolarHBondContact O-NH1 2.83Å
43E73.9Confident69.5Low115 Ų11580.8 Ų80.854%0.53750%0.496SS..THydrogen-bonded Turntrans-81.9-25.3175.8-64.5-57.3160.800114C41 R56C41-E43 PolarHBondContact O-N 2.73Å; E43-R56 IonicContact OE2-CZ 2.58Å; E43-R56 IonicContact OE2-NH2 3.9Å; E43-R56 PolarHBondContact OE2-NH2 2.85Å
44H75.8Confident68.3Low39 Ų3978.1 Ų78.118%0.18148%0.482CS..THydrogen-bonded Turntrans-11214.9178.2-55.9127.5000112.4C19 F21 C30 F40 C41 T46 M47C19-H44 PolarHBondContact SG-ND1 3.34Å; C19-H44 VanDerWaalsContact SG-ND1 3.42Å; F21-H44 HydrophobicContact CB-CB 3.87Å; F21-H44 VanDerWaalsContact CB-ND1 3.27Å; F21-H44 WeakPolarHBondContact CB-ND1 3.45Å; F21-H44 AromaticContact CD1-CD2 3.67Å; F21-H44 AromaticContact CD1-CE1 3.26Å; F21-H44 WeakPolarHBondContact CD1-CE1 3.36Å; F21-H44 AromaticContact CD1-CG 3.93Å; F21-H44 AromaticContact CD1-ND1 3.69Å; F21-H44 AromaticContact CD1-NE2 3.26Å; F21-H44 VanDerWaalsContact CD1-NE2 3.26Å; F21-H44 WeakPolarHBondContact CD1-NE2 3.32Å; F21-H44 HydrophobicContact CD2-CB 4.13Å; F21-H44 AromaticContact CD2-CD2 3.7Å; F21-H44 AromaticContact CD2-CG 3.8Å; F21-H44 AromaticContact CE1-CD2 3.92Å; F21-H44 AromaticContact CE1-CE1 3.92Å; F21-H44 AromaticContact CE1-NE2 3.45Å; F21-H44 WeakPolarHBondContact CE1-NE2 3.37Å; F21-H44 AromaticContact CE2-CD2 3.95Å; F21-H44 HydrophobicContact CG-CB 4.1Å; F21-H44 AromaticContact CG-CD2 3.54Å; F21-H44 AromaticContact CG-CE1 3.59Å; F21-H44 AromaticContact CG-CG 3.46Å; F21-H44 VanDerWaalsContact CG-CG 3.46Å; F21-H44 AromaticContact CG-ND1 3.49Å; F21-H44 WeakPolarHBondContact CG-ND1 3.43Å; F21-H44 AromaticContact CG-NE2 3.65Å; C30-H44 VanDerWaalsContact SG-CE1 3.52Å; F40-H44 HydrophobicContact CB-CB 4.11Å; F40-H44 VanDerWaalsContact CB-O 3.23Å; F40-H44 WeakPolarHBondContact CB-O 3.12Å; F40-H44 HydrophobicContact CD1-CB 3.98Å; F40-H44 HydrophobicContact CG-CB 4.43Å; F40-H44 WeakPolarHBondContact CG-O 3.31Å; C41-H44 CarbonylContact O-C 3.51Å; C41-H44 PolarHBondContact O-N 3.15Å; H44-T46 PolarHBondContact O-N 2.81Å; H44-M47 HydrophobicContact CB-CG 4.31Å; H44-M47 WeakPolarHBondContact O-CB 3.41Å; H44-M47 VanDerWaalsContact O-CG 3.3Å; H44-M47 WeakPolarHBondContact O-CG 3.5Å; H44-M47 PolarHBondContact O-N 2.81Å
45A69.6Low67.8Low25 Ų2586.3 Ų86.321%0.20751%0.511CS..G310 helixtrans-61.1-18.2-177.100000113.5C41 M47C41-A45 PolarHBondContact O-N 3.14Å; A45-M47 PolarHBondContact O-N 3.35Å
46T64Low67.8Low84 Ų8487.2 Ų87.252%0.51550%0.501SS..G310 helixtrans-70.7-9.7173.743.20000114.3H44 E48 R56H44-T46 PolarHBondContact O-N 2.81Å; T46-E48 VanDerWaalsContact C-N 3.33Å; T46-R56 HydrophobicContact CG2-CB 3.76Å; T46-R56 HydrophobicContact CG2-CG 4.01Å
47M64.4Low68.2Low104 Ų10478.9 Ų78.951%0.51247%0.467SS..G310 helixtrans-87.6-3.4179.5-51.9-66.3-82.600112.7F21 F40 H44 A45F21-M47 HydrophobicContact CD2-CE 3.91Å; F21-M47 HydrophobicContact CD2-CG 4.03Å; F21-M47 HydrophobicContact CD2-SD 4.43Å; F21-M47 HydrophobicContact CE2-CE 3.71Å; F21-M47 HydrophobicContact CE2-CG 4.41Å; F21-M47 HydrophobicContact CE2-SD 4.26Å; F40-M47 HydrophobicContact CD1-CB 3.88Å; F40-M47 HydrophobicContact CD1-CG 4.29Å; F40-M47 HydrophobicContact CD2-CB 3.94Å; F40-M47 HydrophobicContact CE1-CB 3.66Å; F40-M47 HydrophobicContact CE1-CG 4.2Å; F40-M47 HydrophobicContact CE2-CB 3.72Å; F40-M47 WeakPolarHBondContact CE2-O 3.38Å; F40-M47 HydrophobicContact CG-CB 4.02Å; F40-M47 HydrophobicContact CZ-CB 3.58Å; H44-M47 HydrophobicContact CB-CG 4.31Å; H44-M47 WeakPolarHBondContact O-CB 3.41Å; H44-M47 VanDerWaalsContact O-CG 3.3Å; H44-M47 WeakPolarHBondContact O-CG 3.5Å; H44-M47 PolarHBondContact O-N 2.81Å; A45-M47 PolarHBondContact O-N 3.35Å
48E61.8Low68.7Low40 Ų4078.5 Ų78.519%0.18745%0.446CS..SBendtrans-90.9108.5173.6-114.7159.9-133.900109S39 F40 T46S39-E48 WeakPolarHBondContact CA-OE1 3.16Å; S39-E48 PolarHBondContact N-OE1 3.03Å; F40-E48 HydrophobicContact CD2-CB 4.3Å; F40-E48 HydrophobicContact CD2-CG 3.91Å; F40-E48 HydrophobicContact CE2-CG 4.37Å; F40-E48 PolarHBondContact N-OE1 3.28Å; T46-E48 VanDerWaalsContact C-N 3.33Å
49E49.3Very low69.1Low201 Ų20173.2 Ų73.294%0.93943%0.427SS*.THydrogen-bonded Turntrans-72.4127.7170.7-68.2-166.9162.900109.8
50G53.8Low69.5Low83 Ų8374.6 Ų74.686%0.85643%0.434SS*.THydrogen-bonded Turntrans98.61.5167.200000117.9
51V49.9Very low69.8Low85 Ų8576.6 Ų76.652%0.51545%0.446SS..  trans-100.393.7171.2-170.60000109.9D53V51-D53 PolarHBondContact O-N 3.39Å
52G53.3Low69.9Low78 Ų7878.2 Ų78.280%0.80445%0.454SS*.  trans-60.3102.6167.600000110.7
53D51.1Low70.3Confident119 Ų11981 Ų8164%0.63646%0.464SS*.SBend-172.5132.6124.8-138.9-14.1000109.5V51V51-D53 PolarHBondContact O-N 3.39Å
54S60.1Low70.5Confident40 Ų4082.8 Ų82.828%0.2847%0.47SS..  trans77.477.5-176.2-57.30000118.3R56 Q70S54-R56 PolarHBondContact O-N 3.4Å; S54-Q70 PolarHBondContact OG-NE2 2.56Å; S54-Q70 PolarHBondContact OG-OE1 3.13Å
55R73.4Confident70.7Confident190 Ų19083.5 Ų83.572%0.71747%0.473SS*.  trans-46.9114.4155.5178168.7175.5-168.54108.8Q69R55-Q69 VanDerWaalsContact CD-OE1 3.24Å; R55-Q69 WeakPolarHBondContact O-CB 3.33Å; R55-Q69 PolarHBondContact O-N 2.65Å
56R79.1Confident71.4Confident59 Ų5984.8 Ų84.822%0.22348%0.478CS..EExtended strand (participates in β ladder)trans-87.4132.7174.9-65.4-176.966.1122.2-12.1109.1G42 E43 T46 S54 T66 V67G42-R56 PolarHBondContact O-NH1 2.83Å; E43-R56 IonicContact OE2-CZ 2.58Å; E43-R56 IonicContact OE2-NH2 3.9Å; E43-R56 PolarHBondContact OE2-NH2 2.85Å; T46-R56 HydrophobicContact CG2-CB 3.76Å; T46-R56 HydrophobicContact CG2-CG 4.01Å; S54-R56 PolarHBondContact O-N 3.4Å; R56-T66 PolarHBondContact NE-OG1 3.39Å; R56-T66 PolarHBondContact NH2-O 3.24Å; R56-T66 PolarHBondContact NH2-OG1 2.84Å; R56-V67 CarbonylContact C-O 3.5Å; R56-V67 WeakPolarHBondContact CA-O 3.33Å
57I83.8Confident72.4Confident43 Ų4381.2 Ų81.222%0.22146%0.456CS..EExtended strand (participates in β ladder)trans-113.1153.5175.858.6173.2000109.2T66 V67 Q69 L72I57-T66 CarbonylContact O-C 3.58Å; I57-T66 VanDerWaalsContact O-CA 3.25Å; I57-T66 WeakPolarHBondContact O-CA 3.14Å; I57-V67 HydrophobicContact CD1-CG2 4.46Å; I57-V67 HydrophobicContact CG1-CG2 3.88Å; I57-V67 PolarHBondContact N-O 2.91Å; I57-V67 PolarHBondContact O-N 2.83Å; I57-Q69 HydrophobicContact CD1-CB 4.48Å; I57-Q69 HydrophobicContact CD1-CG 4.36Å; I57-Q69 HydrophobicContact CG1-CB 4.47Å; I57-Q69 HydrophobicContact CG2-CB 4.26Å; I57-Q69 HydrophobicContact CG2-CG 4.44Å; I57-L72 HydrophobicContact CD1-CB 4.34Å; I57-L72 HydrophobicContact CD1-CD1 4.03Å; I57-L72 HydrophobicContact CD1-CD2 3.73Å; I57-L72 HydrophobicContact CD1-CG 4.22Å
58T85.9Confident73.4Confident83 Ų8376.8 Ų76.851%0.50944%0.437SS..EExtended strand (participates in β ladder)trans-60136.6169.6-53.10000109.5P60 P63T58-P60 WeakPolarHBondContact O-CD 3.12Å; T58-P63 VanDerWaalsContact CG2-CA 3.47Å; T58-P63 HydrophobicContact CG2-CB 3.96Å
59C86.4Confident74.5Confident3 Ų379.2 Ų79.22%0.0245%0.448CS..EExtended strand (participates in β ladder)trans-64.4127.8178.5178.40000110.2L61 D62 H65 V67 H75C59-L61 PolarHBondContact O-N 3.24Å; C59-L61 PolarHBondContact SG-N 3.24Å; C59-L61 VanDerWaalsContact SG-N 3.39Å; C59-D62 WeakPolarHBondContact CB-O 3.47Å; C59-D62 CarbonylContact O-C 3.59Å; C59-D62 PolarHBondContact O-N 2.88Å; C59-H65 WeakPolarHBondContact CB-NE2 2.99Å; C59-H65 PolarHBondContact N-O 3.06Å; C59-H65 PolarHBondContact SG-NE2 2.98Å; C59-V67 HydrophobicContact CB-CG1 4.03Å; C59-H75 PolarHBondContact SG-NE2 3.15Å
60P89.3Confident76.2Confident91 Ų9175.2 Ų75.259%0.59143%0.429SS*.THydrogen-bonded Turntrans-62.5-23177.2-2433.9000114.1T58 L72 L76T58-P60 WeakPolarHBondContact O-CD 3.12Å; P60-L72 HydrophobicContact CG-CD1 3.98Å; P60-L76 HydrophobicContact CG-CD2 4.48Å
61L86.8Confident77.8Confident74 Ų7474.7 Ų74.739%0.38741%0.407SS..THydrogen-bonded Turntrans-90.3-18.2179.8-58.2174.1000113C59 L76 C79 S81 R82C59-L61 PolarHBondContact O-N 3.24Å; C59-L61 PolarHBondContact SG-N 3.24Å; C59-L61 VanDerWaalsContact SG-N 3.39Å; L61-L76 HydrophobicContact CD1-CB 4.47Å; L61-L76 HydrophobicContact CD1-CD2 3.48Å; L61-L76 VanDerWaalsContact CD1-CD2 3.48Å; L61-L76 HydrophobicContact CD2-CD2 4.43Å; L61-L76 HydrophobicContact CG-CD2 3.57Å; L61-C79 HydrophobicContact CD1-CB 3.72Å; L61-S81 WeakPolarHBondContact O-CB 3.28Å; L61-R82 HydrophobicContact CD1-CB 3.94Å; L61-R82 HydrophobicContact CD1-CG 4.47Å
62D82.7Confident79.6Confident37 Ų3772.5 Ų72.520%0.19839%0.392CS..EExtended strand (participates in β ladder)trans-160.6110.6180-175.6-7.3000111C59 K64 H65 S81C59-D62 WeakPolarHBondContact CB-O 3.47Å; C59-D62 CarbonylContact O-C 3.59Å; C59-D62 PolarHBondContact O-N 2.88Å; D62-K64 PolarHBondContact O-N 2.71Å; D62-K64 WeakPolarHBondContact OD1-CB 3.39Å; D62-K64 VanDerWaalsContact OD1-CG 3.29Å; D62-K64 WeakPolarHBondContact OD1-CG 3.25Å; D62-K64 PolarHBondContact OD1-N 3.14Å; D62-H65 PolarHBondContact O-N 2.69Å; D62-H65 IonicContact OD2-ND1 3.84Å; D62-S81 VanDerWaalsContact CB-OG 3.28Å; D62-S81 WeakPolarHBondContact CB-OG 3.38Å; D62-S81 PolarHBondContact OD2-OG 2.96Å
63P82.1Confident81.3Confident109 Ų10975.9 Ų75.971%0.70839%0.387SS*.EExtended strand (participates in β ladder)trans-68-7.3-177.427.8-33.9000114.1T58 H65T58-P63 VanDerWaalsContact CG2-CA 3.47Å; T58-P63 HydrophobicContact CG2-CB 3.96Å; P63-H65 VanDerWaalsContact C-N 3.29Å; P63-H65 PolarHBondContact O-N 3.1Å
64K78.6Confident83.1Confident152 Ų15277.1 Ų77.166%0.66139%0.387SS*.EExtended strand (participates in β ladder)trans-77.7-9.4-178.9-62.2174.7179.8176.50114D62 N368D62-K64 PolarHBondContact O-N 2.71Å; D62-K64 WeakPolarHBondContact OD1-CB 3.39Å; D62-K64 VanDerWaalsContact OD1-CG 3.29Å; D62-K64 WeakPolarHBondContact OD1-CG 3.25Å; D62-K64 PolarHBondContact OD1-N 3.14Å; K64-N368 PolarHBondContact NZ-ND2 3.25Å
65H80.3Confident84.5Confident54 Ų5476.7 Ų76.725%0.2538%0.38CS..EExtended strand (participates in β ladder)trans-138.3160.6174.871.5-91000112.9C59 D62 P63 H75C59-H65 WeakPolarHBondContact CB-NE2 2.99Å; C59-H65 PolarHBondContact N-O 3.06Å; C59-H65 PolarHBondContact SG-NE2 2.98Å; D62-H65 PolarHBondContact O-N 2.69Å; D62-H65 IonicContact OD2-ND1 3.84Å; P63-H65 VanDerWaalsContact C-N 3.29Å; P63-H65 PolarHBondContact O-N 3.1Å; H65-H75 AromaticContact CD2-CE1 3.71Å; H65-H75 AromaticContact CD2-NE2 3.95Å; H65-H75 AromaticContact CE1-NE2 3.9Å; H65-H75 AromaticContact NE2-CE1 3.02Å; H65-H75 PolarHBondContact NE2-CE1 3.32Å; H65-H75 AromaticContact NE2-NE2 2.98Å; H65-H75 PolarHBondContact NE2-NE2 2.96Å
66T82.7Confident85.2Confident51 Ų5170.2 Ų70.231%0.31336%0.359SS..EExtended strand (participates in β ladder)trans-113157.6179.4630000110.9R56 I57R56-T66 PolarHBondContact NE-OG1 3.39Å; R56-T66 PolarHBondContact NH2-O 3.24Å; R56-T66 PolarHBondContact NH2-OG1 2.84Å; I57-T66 CarbonylContact O-C 3.58Å; I57-T66 VanDerWaalsContact O-CA 3.25Å; I57-T66 WeakPolarHBondContact O-CA 3.14Å
67V85.3Confident85.6Confident9 Ų974.5 Ų74.56%0.05538%0.38CS..EExtended strand (participates in β ladder)trans-138.9143.4-178.2-46.50000109.1R56 I57 C59 Q69 L72 H75R56-V67 CarbonylContact C-O 3.5Å; R56-V67 WeakPolarHBondContact CA-O 3.33Å; I57-V67 HydrophobicContact CD1-CG2 4.46Å; I57-V67 HydrophobicContact CG1-CG2 3.88Å; I57-V67 PolarHBondContact N-O 2.91Å; I57-V67 PolarHBondContact O-N 2.83Å; C59-V67 HydrophobicContact CB-CG1 4.03Å; V67-Q69 PolarHBondContact O-N 3.1Å; V67-L72 HydrophobicContact CG2-CB 4.36Å; V67-L72 HydrophobicContact CG2-CD1 3.67Å; V67-H75 HydrophobicContact CB-CB 4.36Å; V67-H75 HydrophobicContact CG1-CB 4.26Å; V67-H75 VanDerWaalsContact CG1-CD2 3.5Å; V67-H75 WeakPolarHBondContact CG1-CD2 3.26Å; V67-H75 VanDerWaalsContact CG1-CG 3.46Å; V67-H75 WeakPolarHBondContact CG1-ND1 3.46Å
68A85.9Confident85.6Confident12 Ų1280 Ų8010%0.09940%0.402CS..EExtended strand (participates in β ladder)trans-58.5127.7169.400000109.3Q70 N71 L72A68-Q70 VanDerWaalsContact C-N 3.26Å; A68-Q70 HydrophobicContact CB-CG 4.38Å; A68-Q70 PolarHBondContact O-N 2.76Å; A68-N71 HydrophobicContact CB-CB 4.23Å; A68-N71 CarbonylContact O-C 3.42Å; A68-N71 WeakPolarHBondContact O-CA 3Å; A68-N71 PolarHBondContact O-N 3.41Å; A68-L72 PolarHBondContact O-N 3.36Å
69Q84.6Confident85.5Confident91 Ų9176.3 Ų76.343%0.42538%0.379SS..G310 helixtrans-54.4-43.2-175.6-177.7175.44.400111.6R55 I57 V67 N71 L72R55-Q69 VanDerWaalsContact CD-OE1 3.24Å; R55-Q69 WeakPolarHBondContact O-CB 3.33Å; R55-Q69 PolarHBondContact O-N 2.65Å; I57-Q69 HydrophobicContact CD1-CB 4.48Å; I57-Q69 HydrophobicContact CD1-CG 4.36Å; I57-Q69 HydrophobicContact CG1-CB 4.47Å; I57-Q69 HydrophobicContact CG2-CB 4.26Å; I57-Q69 HydrophobicContact CG2-CG 4.44Å; V67-Q69 PolarHBondContact O-N 3.1Å; Q69-N71 PolarHBondContact O-N 2.94Å; Q69-N71 VanDerWaalsContact O-N 3.16Å; Q69-L72 VanDerWaalsContact O-CB 3.27Å; Q69-L72 WeakPolarHBondContact O-CB 3.38Å; Q69-L72 PolarHBondContact O-N 3.05Å; Q69-L72 VanDerWaalsContact O-N 3.07Å
70Q85.8Confident85.2Confident116 Ų11682.2 Ų82.254%0.54241%0.411SS..G310 helixtrans-63.2-19.5175.967.2-150.354.900114.6S54 A68S54-Q70 PolarHBondContact OG-NE2 2.56Å; S54-Q70 PolarHBondContact OG-OE1 3.13Å; A68-Q70 VanDerWaalsContact C-N 3.26Å; A68-Q70 HydrophobicContact CB-CG 4.38Å; A68-Q70 PolarHBondContact O-N 2.76Å
71N86.4Confident84.8Confident72 Ų7280.1 Ų80.139%0.38540%0.399SS..G310 helixtrans-105.28.3178.1-70.4-44.9000112.4A68 Q69 E73 K74 H75A68-N71 HydrophobicContact CB-CB 4.23Å; A68-N71 CarbonylContact O-C 3.42Å; A68-N71 WeakPolarHBondContact O-CA 3Å; A68-N71 PolarHBondContact O-N 3.41Å; Q69-N71 PolarHBondContact O-N 2.94Å; Q69-N71 VanDerWaalsContact O-N 3.16Å; N71-E73 PolarHBondContact O-N 2.83Å; N71-K74 PolarHBondContact O-N 3Å; N71-H75 WeakPolarHBondContact O-CB 3.49Å; N71-H75 PolarHBondContact O-N 3.08Å
72L88.3Confident84.7Confident39 Ų3982.2 Ų82.220%0.20440%0.401CS..Hα-helixtrans-56.3-51.3-176.8177.664000111.3I57 P60 V67 A68 Q69 K74 H75 L76I57-L72 HydrophobicContact CD1-CB 4.34Å; I57-L72 HydrophobicContact CD1-CD1 4.03Å; I57-L72 HydrophobicContact CD1-CD2 3.73Å; I57-L72 HydrophobicContact CD1-CG 4.22Å; P60-L72 HydrophobicContact CG-CD1 3.98Å; V67-L72 HydrophobicContact CG2-CB 4.36Å; V67-L72 HydrophobicContact CG2-CD1 3.67Å; A68-L72 PolarHBondContact O-N 3.36Å; Q69-L72 VanDerWaalsContact O-CB 3.27Å; Q69-L72 WeakPolarHBondContact O-CB 3.38Å; Q69-L72 PolarHBondContact O-N 3.05Å; Q69-L72 VanDerWaalsContact O-N 3.07Å; L72-K74 PolarHBondContact O-N 3.37Å; L72-H75 CarbonylContact O-C 3.46Å; L72-H75 WeakPolarHBondContact O-CA 3.24Å; L72-H75 WeakPolarHBondContact O-CB 3.07Å; L72-H75 PolarHBondContact O-N 2.73Å; L72-L76 HydrophobicContact CD1-CD1 4.22Å; L72-L76 HydrophobicContact CD1-CD2 4.13Å; L72-L76 HydrophobicContact CD1-CG 3.96Å; L72-L76 HydrophobicContact CG-CD1 4.04Å; L72-L76 HydrophobicContact CG-CG 4.2Å; L72-L76 WeakPolarHBondContact O-CG 3.49Å; L72-L76 PolarHBondContact O-N 3.42Å
73E89.1Confident84.4Confident149 Ų14988 Ų8870%0.69643%0.427SS*.Hα-helixtrans-60.8-45.9-179-67.3-175.9177.100112.6N71 H75 L76 K77N71-E73 PolarHBondContact O-N 2.83Å; E73-H75 PolarHBondContact O-N 3.38Å; E73-L76 PolarHBondContact O-N 2.92Å; E73-K77 WeakPolarHBondContact O-CG 3.22Å; E73-K77 PolarHBondContact O-N 3.04Å
74K89.4Confident84.2Confident146 Ų14687.8 Ų87.864%0.63542%0.415SS*.Hα-helixtrans-62.2-35.9175.3-68.7-177.7-177.1173.70111.1N71 L72 K78N71-K74 PolarHBondContact O-N 3Å; L72-K74 PolarHBondContact O-N 3.37Å; K74-K78 WeakPolarHBondContact O-CG 3.44Å
75H88.4Confident84.5Confident31 Ų3186.6 Ų86.614%0.14442%0.423CS..Hα-helixtrans-67.8-50175.917285.1000111.7C59 H65 V67 N71 L72 E73 K77 K78 C79C59-H75 PolarHBondContact SG-NE2 3.15Å; H65-H75 AromaticContact CD2-CE1 3.71Å; H65-H75 AromaticContact CD2-NE2 3.95Å; H65-H75 AromaticContact CE1-NE2 3.9Å; H65-H75 AromaticContact NE2-CE1 3.02Å; H65-H75 PolarHBondContact NE2-CE1 3.32Å; H65-H75 AromaticContact NE2-NE2 2.98Å; H65-H75 PolarHBondContact NE2-NE2 2.96Å; V67-H75 HydrophobicContact CB-CB 4.36Å; V67-H75 HydrophobicContact CG1-CB 4.26Å; V67-H75 VanDerWaalsContact CG1-CD2 3.5Å; V67-H75 WeakPolarHBondContact CG1-CD2 3.26Å; V67-H75 VanDerWaalsContact CG1-CG 3.46Å; V67-H75 WeakPolarHBondContact CG1-ND1 3.46Å; N71-H75 WeakPolarHBondContact O-CB 3.49Å; N71-H75 PolarHBondContact O-N 3.08Å; L72-H75 CarbonylContact O-C 3.46Å; L72-H75 WeakPolarHBondContact O-CA 3.24Å; L72-H75 WeakPolarHBondContact O-CB 3.07Å; L72-H75 PolarHBondContact O-N 2.73Å; E73-H75 PolarHBondContact O-N 3.38Å; H75-K77 PolarHBondContact O-N 2.87Å; H75-K77 VanDerWaalsContact O-N 3.16Å; H75-K78 CarbonylContact O-C 3.49Å; H75-K78 WeakPolarHBondContact O-CG 3.22Å; H75-K78 PolarHBondContact O-N 2.82Å; H75-C79 WeakPolarHBondContact NE2-CB 3.45Å; H75-C79 PolarHBondContact NE2-SG 2.85Å; H75-C79 WeakPolarHBondContact O-CA 3.26Å; H75-C79 WeakPolarHBondContact O-CB 3.46Å; H75-C79 PolarHBondContact O-N 2.8Å
76L88.9Confident84.8Confident54 Ų5490.6 Ų90.628%0.28344%0.436SS..Hα-helixtrans-55.3-36.8-179-68.1175.4000111.3P60 L61 L72 E73 K78 R82P60-L76 HydrophobicContact CG-CD2 4.48Å; L61-L76 HydrophobicContact CD1-CB 4.47Å; L61-L76 HydrophobicContact CD1-CD2 3.48Å; L61-L76 VanDerWaalsContact CD1-CD2 3.48Å; L61-L76 HydrophobicContact CD2-CD2 4.43Å; L61-L76 HydrophobicContact CG-CD2 3.57Å; L72-L76 HydrophobicContact CD1-CD1 4.22Å; L72-L76 HydrophobicContact CD1-CD2 4.13Å; L72-L76 HydrophobicContact CD1-CG 3.96Å; L72-L76 HydrophobicContact CG-CD1 4.04Å; L72-L76 HydrophobicContact CG-CG 4.2Å; L72-L76 WeakPolarHBondContact O-CG 3.49Å; L72-L76 PolarHBondContact O-N 3.42Å; E73-L76 PolarHBondContact O-N 2.92Å; L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 3.48Å; L76-R82 WeakPolarHBondContact O-CD 3.47Å
77K87.9Confident85.2Confident149 Ų14990.3 Ų90.365%0.64843%0.434SS*.THydrogen-bonded Turntrans-66.2-23175.1-68.2177.9-176179.90114.7E73 H75 R82E73-K77 WeakPolarHBondContact O-CG 3.22Å; E73-K77 PolarHBondContact O-N 3.04Å; H75-K77 PolarHBondContact O-N 2.87Å; H75-K77 VanDerWaalsContact O-N 3.16Å; K77-R82 PolarHBondContact O-NH1 2.75Å; K77-R82 PolarHBondContact O-NH2 2.91Å
78K83.3Confident85.6Confident157 Ų15794.9 Ų94.968%0.68346%0.462SS*.THydrogen-bonded Turntrans-121.95.5-178.671.6-174.1178.2177.30113.7K74 H75 L76 N80K74-K78 WeakPolarHBondContact O-CG 3.44Å; H75-K78 CarbonylContact O-C 3.49Å; H75-K78 WeakPolarHBondContact O-CG 3.22Å; H75-K78 PolarHBondContact O-N 2.82Å; L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 3.48Å; K78-N80 PolarHBondContact O-N 2.77Å
79C83.6Confident86Confident6 Ų695.9 Ų95.94%0.04146%0.464CS..  trans-64.9133.3-177.2-176.40000108.6L61 H75 S81 R82L61-C79 HydrophobicContact CD1-CB 3.72Å; H75-C79 WeakPolarHBondContact NE2-CB 3.45Å; H75-C79 PolarHBondContact NE2-SG 2.85Å; H75-C79 WeakPolarHBondContact O-CA 3.26Å; H75-C79 WeakPolarHBondContact O-CB 3.46Å; H75-C79 PolarHBondContact O-N 2.8Å; C79-S81 PolarHBondContact O-N 2.79Å; C79-S81 PolarHBondContact SG-N 2.94Å; C79-S81 VanDerWaalsContact SG-N 3.42Å; C79-R82 HydrophobicContact CB-CB 4.47Å; C79-R82 WeakPolarHBondContact O-CB 3.38Å; C79-R82 PolarHBondContact O-N 3.02Å
80N80.1Confident86.5Confident127 Ų12794.1 Ų94.168%0.67945%0.454SS*.THydrogen-bonded Turntrans-64.9-24.1177.7-73-40.2000112.4K78K78-N80 PolarHBondContact O-N 2.77Å
81S81.4Confident87Confident48 Ų4890.5 Ų90.534%0.33644%0.439SS..THydrogen-bonded Turntrans-92.43.3-178.6-42.80000112.8L61 D62 C79L61-S81 WeakPolarHBondContact O-CB 3.28Å; D62-S81 VanDerWaalsContact CB-OG 3.28Å; D62-S81 WeakPolarHBondContact CB-OG 3.38Å; D62-S81 PolarHBondContact OD2-OG 2.96Å; C79-S81 PolarHBondContact O-N 2.79Å; C79-S81 PolarHBondContact SG-N 2.94Å; C79-S81 VanDerWaalsContact SG-N 3.42Å
82R83.8Confident87.3Confident117 Ų11792.3 Ų92.344%0.44245%0.445SS..SBendtrans-64.6136.8169.1-175.6-176.863-177.3-5.7109.9L61 L76 K77 C79 K84L61-R82 HydrophobicContact CD1-CB 3.94Å; L61-R82 HydrophobicContact CD1-CG 4.47Å; L76-R82 WeakPolarHBondContact O-CD 3.47Å; K77-R82 PolarHBondContact O-NH1 2.75Å; K77-R82 PolarHBondContact O-NH2 2.91Å; C79-R82 HydrophobicContact CB-CB 4.47Å; C79-R82 WeakPolarHBondContact O-CB 3.38Å; C79-R82 PolarHBondContact O-N 3.02Å; R82-K84 PolarHBondContact O-N 2.82Å
83E77.4Confident87.6Confident159 Ų15993.2 Ų93.274%0.74345%0.45SS*.PPolyproline II helixtrans-59.8126.3171.7-165.5167.3-161.200110.2
84K78Confident87.9Confident105 Ų10589.2 Ų89.246%0.45743%0.433SS..PPolyproline II helixtrans-102.2146.4177.4-65.4-179-175.2-179.90108R82 R86R82-K84 PolarHBondContact O-N 2.82Å; K84-R86 PolarHBondContact O-N 2.89Å
85P83.4Confident88.2Confident126 Ų12682.3 Ų82.382%0.81840%0.403SS*.PPolyproline II helixtrans-53.4129.5171.422-31.2000108.9
86R87.9Confident88.4Confident139 Ų13980.9 Ų80.953%0.52540%0.397SS..PPolyproline II helixtrans-66.2128.8178.5-64.9177.2-176.2-164.50.2107.6K84 Y90 E92K84-R86 PolarHBondContact O-N 2.89Å; R86-Y90 HydrophobicContact CB-CD1 4.16Å; R86-Y90 HydrophobicContact CB-CG 4.09Å; R86-Y90 HydrophobicContact CG-CD1 4.17Å; R86-Y90 HydrophobicContact CG-CE1 4.41Å; R86-Y90 HydrophobicContact CG-CG 4.33Å; R86-E92 IonicContact CZ-OE2 3.71Å; R86-E92 IonicContact NH1-OE2 2.75Å; R86-E92 PolarHBondContact NH1-OE2 3Å
87P90.8Very high88.4Confident44 Ų4479.9 Ų79.929%0.28640%0.399SS..PPolyproline II helixtrans-67.1161.3178.328-34000111.1Y89 Y90P87-Y89 HydrophobicContact CB-CD1 4.06Å; P87-Y89 HydrophobicContact CB-CD2 4.09Å; P87-Y89 HydrophobicContact CB-CE1 3.57Å; P87-Y89 HydrophobicContact CB-CE2 3.6Å; P87-Y89 HydrophobicContact CB-CG 4.29Å; P87-Y89 HydrophobicContact CG-CD2 3.79Å; P87-Y89 HydrophobicContact CG-CE1 4.2Å; P87-Y89 HydrophobicContact CG-CE2 3.23Å; P87-Y89 HydrophobicContact CG-CG 4.46Å; P87-Y89 VanDerWaalsContact CG-CZ 3.47Å; P87-Y89 PolarHBondContact O-N 3.48Å; P87-Y89 VanDerWaalsContact O-N 3.1Å; P87-Y90 VanDerWaalsContact O-CB 3.22Å; P87-Y90 WeakPolarHBondContact O-CB 3.45Å; P87-Y90 PolarHBondContact O-N 3.47Å
88V93.8Very high88.1Confident105 Ų10581.8 Ų81.864%0.63640%0.402SS*.THydrogen-bonded Turntrans-57.9-27.2-177.8-64.10000114Y90 K246 P248V88-Y90 VanDerWaalsContact C-N 3.3Å; V88-K246 WeakPolarHBondContact O-CD 3.39Å; V88-P248 HydrophobicContact CG2-CG 4.21Å
89Y94.3Very high87.6Confident34 Ų3479.4 Ų79.413%0.13340%0.4CS..THydrogen-bonded Turntrans-88.28.2177.952.9-104000113.9P87 L235 V237 L242 D243 V247P87-Y89 HydrophobicContact CB-CD1 4.06Å; P87-Y89 HydrophobicContact CB-CD2 4.09Å; P87-Y89 HydrophobicContact CB-CE1 3.57Å; P87-Y89 HydrophobicContact CB-CE2 3.6Å; P87-Y89 HydrophobicContact CB-CG 4.29Å; P87-Y89 HydrophobicContact CG-CD2 3.79Å; P87-Y89 HydrophobicContact CG-CE1 4.2Å; P87-Y89 HydrophobicContact CG-CE2 3.23Å; P87-Y89 HydrophobicContact CG-CG 4.46Å; P87-Y89 VanDerWaalsContact CG-CZ 3.47Å; P87-Y89 PolarHBondContact O-N 3.48Å; P87-Y89 VanDerWaalsContact O-N 3.1Å; Y89-L235 HydrophobicContact CD2-CD1 4.33Å; Y89-L235 HydrophobicContact CE1-CD2 3.83Å; Y89-L235 HydrophobicContact CE2-CB 4.22Å; Y89-L235 HydrophobicContact CE2-CD1 4.23Å; Y89-L235 HydrophobicContact CE2-CD2 4.34Å; Y89-L235 HydrophobicContact CE2-CG 4.5Å; Y89-V237 HydrophobicContact CD2-CG1 4.38Å; Y89-V237 HydrophobicContact CE2-CB 4.14Å; Y89-V237 HydrophobicContact CE2-CG1 4Å; Y89-L242 HydrophobicContact CD2-CD1 3.66Å; Y89-L242 HydrophobicContact CE2-CD1 4.48Å; Y89-L242 HydrophobicContact CG-CD1 4.17Å; Y89-D243 PolarHBondContact O-N 2.87Å; Y89-V247 HydrophobicContact CD1-CG2 4.24Å; Y89-V247 HydrophobicContact CG-CG2 4Å
90Y95.8Very high86.7Confident54 Ų5482.6 Ų82.621%0.21242%0.417CS..BIsolated β-bridgetrans-87.4117.4172.5-175.5-79000110.2R86 P87 V88 E92 V237 H241R86-Y90 HydrophobicContact CB-CD1 4.16Å; R86-Y90 HydrophobicContact CB-CG 4.09Å; R86-Y90 HydrophobicContact CG-CD1 4.17Å; R86-Y90 HydrophobicContact CG-CE1 4.41Å; R86-Y90 HydrophobicContact CG-CG 4.33Å; P87-Y90 VanDerWaalsContact O-CB 3.22Å; P87-Y90 WeakPolarHBondContact O-CB 3.45Å; P87-Y90 PolarHBondContact O-N 3.47Å; V88-Y90 VanDerWaalsContact C-N 3.3Å; Y90-E92 HydrophobicContact CE1-CB 3.99Å; Y90-V237 HydrophobicContact CD2-CG2 4.04Å; Y90-H241 CarbonylContact C-O 3.37Å; Y90-H241 WeakPolarHBondContact CA-O 3.16Å; Y90-H241 HydrophobicContact CD2-CB 3.72Å; Y90-H241 HydrophobicContact CE1-CB 4.43Å; Y90-H241 HydrophobicContact CE2-CB 3.43Å; Y90-H241 VanDerWaalsContact CE2-CB 3.43Å; Y90-H241 AromaticContact CE2-CD2 3.45Å; Y90-H241 VanDerWaalsContact CE2-CD2 3.45Å; Y90-H241 WeakPolarHBondContact CE2-CD2 3.5Å; Y90-H241 AromaticContact CE2-CG 3.61Å; Y90-H241 HydrophobicContact CG-CB 4.34Å; Y90-H241 AromaticContact CZ-CD2 3.68Å; Y90-H241 AromaticContact CZ-CG 3.72Å; Y90-H241 PolarHBondContact OH-CD2 3.4Å
91V94.7Very high85.6Confident39 Ų3987.7 Ų87.724%0.23643%0.427CS..  trans-127.9115.6169.2-1750000108N93 I94 H241 D243 K246V91-N93 PolarHBondContact O-N 3.43Å; V91-I94 HydrophobicContact CB-CB 3.92Å; V91-I94 HydrophobicContact CB-CD1 4.05Å; V91-I94 HydrophobicContact CB-CG2 4.09Å; V91-I94 HydrophobicContact CG1-CB 3.92Å; V91-I94 HydrophobicContact CG1-CD1 4.08Å; V91-I94 HydrophobicContact CG1-CG1 4.35Å; V91-I94 HydrophobicContact CG2-CD1 4.37Å; V91-I94 WeakPolarHBondContact O-CG2 3.48Å; V91-I94 PolarHBondContact O-N 2.93Å; V91-H241 PolarHBondContact N-O 3.48Å; V91-H241 CarbonylContact O-C 3.48Å; V91-H241 WeakPolarHBondContact O-CA 3.5Å; V91-D243 HydrophobicContact CB-CB 4.39Å; V91-D243 HydrophobicContact CG2-CB 3.75Å; V91-K246 HydrophobicContact CG2-CD 3.95Å
92E94.4Very high84.2Confident110 Ų11093.5 Ų93.551%0.51445%0.454SS..THydrogen-bonded Turntrans-57.6128.8-173.5-170.3160.2177.400111.3R86 Y90 I94R86-E92 IonicContact CZ-OE2 3.71Å; R86-E92 IonicContact NH1-OE2 2.75Å; R86-E92 PolarHBondContact NH1-OE2 3Å; Y90-E92 HydrophobicContact CE1-CB 3.99Å; E92-I94 PolarHBondContact O-N 3.18Å
93N94.2Very high82.9Confident59 Ų5993.2 Ų93.232%0.31646%0.458SS..THydrogen-bonded Turntrans53.217.3179.1-61.1-43.1000117.3V91 N95 A96 Q240 H241V91-N93 PolarHBondContact O-N 3.43Å; N93-N95 PolarHBondContact O-N 3.38Å; N93-N95 VanDerWaalsContact O-N 3.14Å; N93-A96 HydrophobicContact CB-CB 3.75Å; N93-A96 WeakPolarHBondContact O-CB 3.33Å; N93-A96 PolarHBondContact O-N 3.42Å; N93-Q240 CarbonylContact C-O 3.52Å; N93-Q240 PolarHBondContact OD1-NE2 2.81Å; N93-H241 PolarHBondContact N-ND1 2.92Å; N93-H241 PolarHBondContact OD1-CE1 3.31Å
94I94.8Very high81.9Confident64 Ų6495.3 Ų95.333%0.32847%0.468SS..THydrogen-bonded Turntrans-56.4-36-177.6-166.6172.5000112.8V91 E92 Q240 D243 T279V91-I94 HydrophobicContact CB-CB 3.92Å; V91-I94 HydrophobicContact CB-CD1 4.05Å; V91-I94 HydrophobicContact CB-CG2 4.09Å; V91-I94 HydrophobicContact CG1-CB 3.92Å; V91-I94 HydrophobicContact CG1-CD1 4.08Å; V91-I94 HydrophobicContact CG1-CG1 4.35Å; V91-I94 HydrophobicContact CG2-CD1 4.37Å; V91-I94 WeakPolarHBondContact O-CG2 3.48Å; V91-I94 PolarHBondContact O-N 2.93Å; E92-I94 PolarHBondContact O-N 3.18Å; I94-Q240 PolarHBondContact N-O 3.21Å; I94-D243 HydrophobicContact CD1-CB 3.94Å; I94-T279 HydrophobicContact CD1-CG2 3.94Å; I94-T279 HydrophobicContact CG1-CG2 4.31Å
95N96.1Very high81.4Confident2 Ų294 Ų941%0.01147%0.465CS..THydrogen-bonded Turntrans-104.520.3176.3-56.4-50000111.8N93 I239 Q240 L242 L271 R274 C275N93-N95 PolarHBondContact O-N 3.38Å; N93-N95 VanDerWaalsContact O-N 3.14Å; N95-I239 PolarHBondContact ND2-O 3.29Å; N95-Q240 PolarHBondContact N-O 3.3Å; N95-L242 PolarHBondContact ND2-O 2.93Å; N95-L271 WeakPolarHBondContact O-CD2 3.24Å; N95-R274 PolarHBondContact O-NH1 3.07Å; N95-R274 PolarHBondContact O-NH2 2.78Å; N95-C275 WeakPolarHBondContact ND2-CB 3.26Å; N95-C275 VanDerWaalsContact OD1-CA 3.3Å; N95-C275 WeakPolarHBondContact OD1-CA 3.36Å; N95-C275 PolarHBondContact OD1-N 3.13Å
96A93Very high80.3Confident1 Ų190.9 Ų90.91%0.00845%0.446CS..SBendtrans-78.9-22.6-179.500000113.7N93 Q240 R274 H322N93-A96 HydrophobicContact CB-CB 3.75Å; N93-A96 WeakPolarHBondContact O-CB 3.33Å; N93-A96 PolarHBondContact O-N 3.42Å; A96-Q240 HydrophobicContact CB-CG 3.9Å; A96-R274 PolarHBondContact O-NH2 3.28Å; A96-H322 PolarHBondContact O-ND1 3.19Å
97G88.3Confident79.6Confident32 Ų3285.1 Ų85.133%0.3343%0.427SS..  trans88.4-175.6-174.400000110.7R274G97-R274 VanDerWaalsContact CA-NH1 3.34Å
98R81.6Confident78.6Confident190 Ų19083.1 Ų83.172%0.71741%0.414SS*.  trans-75.1139.5-179.1-66.4-175.3179.9-144.20.2110.2D100R98-D100 PolarHBondContact O-N 2.91Å
99V72.4Confident77.3Confident106 Ų10679 Ų7964%0.64239%0.391SS*.  trans-81.8102.3170.4-176.90000106.7
100D65.1Low76.3Confident73 Ų7384.3 Ų84.339%0.3942%0.417SS..  trans-77.2149.6163.9-69-28.5000108.4R98 D102 W320R98-D100 PolarHBondContact O-N 2.91Å; D100-D102 PolarHBondContact O-N 3.32Å; D100-W320 PolarHBondContact OD2-NE1 3.25Å
101R57.5Low75.5Confident235 Ų23583.3 Ų83.389%0.88741%0.413SS*.  trans-54.4142179.1-63.4-175.5-158.1-145.93.7109.6Q103R101-Q103 PolarHBondContact O-N 3.48Å
102D50.8Low75Confident169 Ų16984.1 Ų84.190%0.90442%0.42SS*.  trans-49.2111.2177.7-65.7-40.6000109.8D100D100-D102 PolarHBondContact O-N 3.32Å
103Q56.7Low74.4Confident112 Ų11285.4 Ų85.452%0.52342%0.42SS..  trans-105.5121172-82.2177.5-2.900107.4R101 L105 P336R101-Q103 PolarHBondContact O-N 3.48Å; Q103-L105 PolarHBondContact O-N 3.29Å; Q103-P336 VanDerWaalsContact OE1-CG 3.28Å
104E57.3Low74Confident203 Ų20385.6 Ų85.695%0.94943%0.43SS*.  trans-63.2106.6170.9-70.2-172.3158.800108.9
105L65.9Low73.6Confident78 Ų7886.3 Ų86.341%0.40844%0.435SS..  trans-86.2112.9176.3-71.6165.9000108.8Q103Q103-L105 PolarHBondContact O-N 3.29Å
106S61.4Low73.2Confident59 Ų5986.5 Ų86.541%0.41344%0.436SS..  trans-64.6146.9174570000112.1
107S72.4Confident73Confident19 Ų1990.2 Ų90.213%0.13345%0.453CS..  trans-67.9141.2178.4-1740000110.9A109 E110 R344 E378S107-A109 PolarHBondContact O-N 2.92Å; S107-A109 PolarHBondContact OG-N 3.06Å; S107-E110 WeakPolarHBondContact CB-OE2 3.36Å; S107-E110 PolarHBondContact N-OE2 3.11Å; S107-E110 VanDerWaalsContact N-OE2 3.17Å; S107-E110 PolarHBondContact O-N 3.01Å; S107-E110 VanDerWaalsContact O-N 3.14Å; S107-R344 VanDerWaalsContact CA-NH1 3.3Å; S107-R344 PolarHBondContact OG-NH1 2.87Å; S107-E378 PolarHBondContact OG-OE1 3.17Å
108L69.8Low73.3Confident2 Ų291.6 Ų91.61%0.0146%0.458CS..G310 helixtrans-59.9-31.1172.8-90.6-167.2000112E110 R111 L116 L119 A341 R344 M345 L382L108-E110 PolarHBondContact O-N 3.2Å; L108-R111 PolarHBondContact O-N 3.04Å; L108-L116 HydrophobicContact CD2-CD2 4.24Å; L108-L119 HydrophobicContact CD2-CD1 4.08Å; L108-A341 HydrophobicContact CD2-CB 3.64Å; L108-A341 HydrophobicContact CG-CB 4.41Å; L108-R344 HydrophobicContact CD1-CB 3.3Å; L108-R344 HydrophobicContact CD1-CG 4.21Å; L108-R344 HydrophobicContact CG-CB 4.1Å; L108-M345 HydrophobicContact CD1-CG 3.98Å; L108-L382 HydrophobicContact CB-CD2 3.71Å; L108-L382 HydrophobicContact CD1-CD2 4.21Å
109A66.8Low73.8Confident18 Ų1882.8 Ų82.815%0.14943%0.425CS..G310 helixtrans-69.3-15179.500000113.7S107 E378 R381 L382S107-A109 PolarHBondContact O-N 2.92Å; S107-A109 PolarHBondContact OG-N 3.06Å; A109-E378 HydrophobicContact CB-CG 3.77Å; A109-R381 HydrophobicContact CB-CB 3.97Å; A109-L382 HydrophobicContact CB-CG 4.39Å
110E73.5Confident74.8Confident146 Ų14677.9 Ų77.968%0.68240%0.395SS*.G310 helixtrans-96.4-5-179.5-65.5167.2161.500112.4S107 L108S107-E110 WeakPolarHBondContact CB-OE2 3.36Å; S107-E110 PolarHBondContact N-OE2 3.11Å; S107-E110 VanDerWaalsContact N-OE2 3.17Å; S107-E110 PolarHBondContact O-N 3.01Å; S107-E110 VanDerWaalsContact O-N 3.14Å; L108-E110 PolarHBondContact O-N 3.2Å
111R79Confident76.3Confident33 Ų3379.6 Ų79.613%0.12540%0.401CS..  trans-79144.6-175.1-65.5-168.5179.5-140.8-0.3112.1L108 D115 L116 T337L108-R111 PolarHBondContact O-N 3.04Å; R111-D115 HydrophobicContact CB-CB 4.21Å; R111-L116 HydrophobicContact CB-CD2 4.32Å; R111-L116 HydrophobicContact CB-CG 4.35Å; R111-T337 VanDerWaalsContact NH2-CG2 3.27Å
112S83.3Confident78.2Confident56 Ų5672.3 Ų72.339%0.39238%0.375SS..  trans-71.1162.6173.778.10000111.1A114 D115 L116S112-A114 VanDerWaalsContact C-N 3.3Å; S112-A114 PolarHBondContact O-N 3.31Å; S112-D115 WeakPolarHBondContact CB-OD2 3.48Å; S112-D115 PolarHBondContact N-OD2 3.28Å; S112-D115 VanDerWaalsContact N-OD2 3.14Å; S112-D115 PolarHBondContact O-N 3.29Å; S112-D115 PolarHBondContact OG-N 2.89Å; S112-D115 PolarHBondContact OG-OD2 3.01Å; S112-L116 PolarHBondContact O-N 3.14Å; S112-L116 VanDerWaalsContact O-N 3.13Å
113R82.1Confident80.3Confident136 Ų13664.2 Ų64.251%0.51333%0.332SS..Hα-helixtrans-57.4-44.1174.2178177.5170.4176.50.2112.1D115 L116 E117 F388R113-D115 VanDerWaalsContact C-N 3.26Å; R113-D115 PolarHBondContact O-N 2.83Å; R113-L116 PolarHBondContact O-N 2.61Å; R113-L116 VanDerWaalsContact O-N 3.16Å; R113-E117 HydrophobicContact CG-CG 4.46Å; R113-E117 IonicContact CZ-OE1 3.86Å; R113-E117 IonicContact NE-OE1 2.88Å; R113-E117 PolarHBondContact NE-OE1 3.37Å; R113-E117 IonicContact NH2-OE1 2.8Å; R113-E117 PolarHBondContact NH2-OE1 3Å; R113-E117 PolarHBondContact O-N 3.27Å; R113-F388 HydrophobicContact CB-CE2 4.37Å; R113-F388 HydrophobicContact CG-CD2 4.38Å; R113-F388 HydrophobicContact CG-CE2 4.22Å
114A85.9Confident82.2Confident63 Ų6363.7 Ų63.752%0.52133%0.328SS..Hα-helixtrans-61.7-36.5179.500000111.7S112 E117 S118S112-A114 VanDerWaalsContact C-N 3.3Å; S112-A114 PolarHBondContact O-N 3.31Å; A114-E117 PolarHBondContact O-N 2.72Å; A114-S118 WeakPolarHBondContact O-CB 3.01Å; A114-S118 PolarHBondContact O-N 2.94Å
115D86.8Confident84Confident80 Ų8056.9 Ų56.943%0.42831%0.306SS..Hα-helixtrans-67.3-39.1175.9-59.5-41.9000112R111 S112 R113 S118 L119R111-D115 HydrophobicContact CB-CB 4.21Å; S112-D115 WeakPolarHBondContact CB-OD2 3.48Å; S112-D115 PolarHBondContact N-OD2 3.28Å; S112-D115 VanDerWaalsContact N-OD2 3.14Å; S112-D115 PolarHBondContact O-N 3.29Å; S112-D115 PolarHBondContact OG-N 2.89Å; S112-D115 PolarHBondContact OG-OD2 3.01Å; R113-D115 VanDerWaalsContact C-N 3.26Å; R113-D115 PolarHBondContact O-N 2.83Å; D115-S118 PolarHBondContact O-N 2.99Å; D115-L119 WeakPolarHBondContact O-CG 3.03Å; D115-L119 PolarHBondContact O-N 3.31Å
116L87.1Confident85.5Confident6 Ų653.3 Ų53.33%0.03129%0.288CS..Hα-helixtrans-68.9-41176.7-66.5173.6000111.9L108 R111 S112 R113 S118 L119 V120 L385 W389L108-L116 HydrophobicContact CD2-CD2 4.24Å; R111-L116 HydrophobicContact CB-CD2 4.32Å; R111-L116 HydrophobicContact CB-CG 4.35Å; S112-L116 PolarHBondContact O-N 3.14Å; S112-L116 VanDerWaalsContact O-N 3.13Å; R113-L116 PolarHBondContact O-N 2.61Å; R113-L116 VanDerWaalsContact O-N 3.16Å; L116-S118 VanDerWaalsContact C-N 3.34Å; L116-L119 HydrophobicContact CD2-CD1 4.23Å; L116-L119 WeakPolarHBondContact O-CB 3.1Å; L116-L119 PolarHBondContact O-N 3.23Å; L116-V120 WeakPolarHBondContact O-CG2 3.42Å; L116-V120 PolarHBondContact O-N 2.95Å; L116-L385 HydrophobicContact CD1-CB 4Å; L116-L385 HydrophobicContact CD1-CD1 4.34Å; L116-L385 HydrophobicContact CD1-CD2 4.1Å; L116-L385 HydrophobicContact CD1-CG 4.38Å; L116-W389 HydrophobicContact CB-CH2 3.87Å; L116-W389 HydrophobicContact CB-CZ3 4.45Å
117E89.9Confident87Confident79 Ų7951 Ų5137%0.36927%0.273SS..Hα-helixtrans-61.2-44.5173.5-73.3170.9170.600110.4R113 A114 L119 V120 E121 W389R113-E117 HydrophobicContact CG-CG 4.46Å; R113-E117 IonicContact CZ-OE1 3.86Å; R113-E117 IonicContact NE-OE1 2.88Å; R113-E117 PolarHBondContact NE-OE1 3.37Å; R113-E117 IonicContact NH2-OE1 2.8Å; R113-E117 PolarHBondContact NH2-OE1 3Å; R113-E117 PolarHBondContact O-N 3.27Å; A114-E117 PolarHBondContact O-N 2.72Å; E117-L119 PolarHBondContact O-N 2.78Å; E117-V120 PolarHBondContact O-N 3.47Å; E117-V120 VanDerWaalsContact O-N 3.16Å; E117-E121 WeakPolarHBondContact O-CG 3.24Å; E117-E121 PolarHBondContact O-N 3.2Å; E117-W389 HydrophobicContact CG-CZ2 4.5Å
118S93Very high87.9Confident61 Ų6157.1 Ų57.143%0.42730%0.299SS..Hα-helixtrans-59.7-41.9173.8-178.80000113A114 D115 L116 V120 E121 K122A114-S118 WeakPolarHBondContact O-CB 3.01Å; A114-S118 PolarHBondContact O-N 2.94Å; D115-S118 PolarHBondContact O-N 2.99Å; L116-S118 VanDerWaalsContact C-N 3.34Å; S118-V120 VanDerWaalsContact C-N 3.35Å; S118-V120 PolarHBondContact O-N 3.46Å; S118-E121 PolarHBondContact O-N 3.43Å; S118-K122 WeakPolarHBondContact O-CG 2.83Å; S118-K122 PolarHBondContact O-N 2.81Å
119L93.4Very high88.6Confident5 Ų560.5 Ų60.53%0.02634%0.335CS..Hα-helixtrans-62.1-41174.1-80.5172.3000112.4L108 D115 L116 E117 K122 L123 E338 A341 F342L108-L119 HydrophobicContact CD2-CD1 4.08Å; D115-L119 WeakPolarHBondContact O-CG 3.03Å; D115-L119 PolarHBondContact O-N 3.31Å; L116-L119 HydrophobicContact CD2-CD1 4.23Å; L116-L119 WeakPolarHBondContact O-CB 3.1Å; L116-L119 PolarHBondContact O-N 3.23Å; E117-L119 PolarHBondContact O-N 2.78Å; L119-K122 PolarHBondContact O-N 3.31Å; L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 PolarHBondContact O-N 3.49Å; L119-E338 HydrophobicContact CD2-CG 4.14Å; L119-A341 HydrophobicContact CD1-CB 3.72Å; L119-A341 HydrophobicContact CD2-CB 3.91Å; L119-A341 HydrophobicContact CG-CB 4.47Å; L119-F342 HydrophobicContact CB-CE1 4.37Å; L119-F342 HydrophobicContact CD2-CE1 4.1Å; L119-F342 WeakPolarHBondContact O-CE1 3.35Å
120V93.6Very high89.6Confident3 Ų360.9 Ų60.92%0.01834%0.335CS..Hα-helixtrans-65.3-41.4178166.20000111L116 E117 S118 L123 K124 M345 W389 L397L116-V120 WeakPolarHBondContact O-CG2 3.42Å; L116-V120 PolarHBondContact O-N 2.95Å; E117-V120 PolarHBondContact O-N 3.47Å; E117-V120 VanDerWaalsContact O-N 3.16Å; S118-V120 VanDerWaalsContact C-N 3.35Å; S118-V120 PolarHBondContact O-N 3.46Å; V120-L123 WeakPolarHBondContact O-CB 3.2Å; V120-L123 PolarHBondContact O-N 3.04Å; V120-K124 HydrophobicContact CG1-CD 4.27Å; V120-K124 WeakPolarHBondContact O-CG 3.06Å; V120-K124 PolarHBondContact O-N 2.89Å; V120-M345 HydrophobicContact CG2-CE 3.97Å; V120-W389 HydrophobicContact CB-CZ2 4.46Å; V120-W389 HydrophobicContact CG2-CH2 4.14Å; V120-W389 HydrophobicContact CG2-CZ2 3.7Å; V120-L397 HydrophobicContact CG1-CD1 4.41Å; V120-L397 HydrophobicContact CG1-CD2 3.77Å; V120-L397 HydrophobicContact CG2-CD1 3.91Å; V120-L397 HydrophobicContact CG2-CD2 4.26Å
121E95.4Very high89.3Confident108 Ų10860 Ų6051%0.50533%0.33SS..Hα-helixtrans-66.3-42.2176.1-65.8-49.7120.900111.9E117 S118 L123 K124 A125E117-E121 WeakPolarHBondContact O-CG 3.24Å; E117-E121 PolarHBondContact O-N 3.2Å; S118-E121 PolarHBondContact O-N 3.43Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 3.37Å; E121-K124 PolarHBondContact O-N 2.88Å; E121-K124 IonicContact OE1-NZ 3.36Å; E121-K124 PolarHBondContact OE1-NZ 3.08Å; E121-A125 WeakPolarHBondContact O-CB 3.4Å; E121-A125 PolarHBondContact O-N 3.33Å
122K97.1Very high88.4Confident82 Ų8265.8 Ų65.836%0.35736%0.359SS..Hα-helixtrans-58.5-42.6171.1-75.3178.7174.7179.70112.3S118 L119 A126 L334 E338 F342S118-K122 WeakPolarHBondContact O-CG 2.83Å; S118-K122 PolarHBondContact O-N 2.81Å; L119-K122 PolarHBondContact O-N 3.31Å; K122-A126 VanDerWaalsContact O-CB 3.22Å; K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 2.78Å; K122-L334 HydrophobicContact CB-CD2 4.16Å; K122-E338 HydrophobicContact CD-CG 3.96Å; K122-E338 IonicContact NZ-OE1 2.7Å; K122-E338 PolarHBondContact NZ-OE1 3.1Å; K122-F342 HydrophobicContact CB-CZ 4.46Å
123L96.6Very high87.3Confident0 Ų068.6 Ų68.60%037%0.37CS..Hα-helixtrans-61.7-48.7178.4175.264.6000111.3L119 V120 E121 A126 A127 F342 M345 L397 L400 C401 L404L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 PolarHBondContact O-N 3.49Å; V120-L123 WeakPolarHBondContact O-CB 3.2Å; V120-L123 PolarHBondContact O-N 3.04Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 3.37Å; L123-A126 PolarHBondContact O-N 2.97Å; L123-A127 VanDerWaalsContact O-CB 3.24Å; L123-A127 WeakPolarHBondContact O-CB 3.36Å; L123-A127 PolarHBondContact O-N 2.9Å; L123-F342 HydrophobicContact CB-CE1 3.78Å; L123-F342 HydrophobicContact CB-CE2 4.38Å; L123-F342 HydrophobicContact CB-CZ 3.71Å; L123-F342 HydrophobicContact CD1-CD1 4.36Å; L123-F342 HydrophobicContact CD1-CD2 4.17Å; L123-F342 HydrophobicContact CD1-CE1 4.34Å; L123-F342 HydrophobicContact CD1-CE2 4.13Å; L123-F342 HydrophobicContact CD1-CG 4.29Å; L123-F342 HydrophobicContact CD1-CZ 4.23Å; L123-F342 HydrophobicContact CG-CE1 4.5Å; L123-M345 HydrophobicContact CD2-CE 4.18Å; L123-L397 HydrophobicContact CD2-CD2 4.2Å; L123-L400 HydrophobicContact CD1-CG 4.27Å; L123-L400 HydrophobicContact CD2-CB 4.22Å; L123-L400 HydrophobicContact CD2-CD2 4.13Å; L123-L400 HydrophobicContact CD2-CG 4.34Å; L123-L400 HydrophobicContact CG-CB 4.46Å; L123-L400 HydrophobicContact CG-CD2 3.87Å; L123-L400 HydrophobicContact CG-CG 4.06Å; L123-C401 WeakPolarHBondContact CD2-SG 3.31Å; L123-L404 HydrophobicContact CD1-CB 4.45Å; L123-L404 HydrophobicContact CD1-CD2 3.78Å
124K95.4Very high87.2Confident101 Ų10166.1 Ų66.144%0.43937%0.365SS..Hα-helixtrans-61.3-47.8178.7-71171.7-174.6165.50111.3V120 E121 A126 A127 E128 L400V120-K124 HydrophobicContact CG1-CD 4.27Å; V120-K124 WeakPolarHBondContact O-CG 3.06Å; V120-K124 PolarHBondContact O-N 2.89Å; E121-K124 PolarHBondContact O-N 2.88Å; E121-K124 IonicContact OE1-NZ 3.36Å; E121-K124 PolarHBondContact OE1-NZ 3.08Å; K124-A126 PolarHBondContact O-N 2.81Å; K124-A127 PolarHBondContact O-N 3.3Å; K124-E128 PolarHBondContact O-N 2.84Å; K124-E128 VanDerWaalsContact O-N 3.08Å; K124-L400 HydrophobicContact CG-CD2 4.32Å
125A96.4Very high87.2Confident59 Ų5967 Ų6749%0.48836%0.358SS..Hα-helixtrans-61.8-43.9178.100000112E121 A127 E128E121-A125 WeakPolarHBondContact O-CB 3.4Å; E121-A125 PolarHBondContact O-N 3.33Å; A125-A127 VanDerWaalsContact C-N 3.28Å; A125-A127 PolarHBondContact O-N 3.02Å; A125-E128 VanDerWaalsContact O-CB 3.26Å; A125-E128 WeakPolarHBondContact O-CB 3.49Å; A125-E128 PolarHBondContact O-N 3.38Å
126A96Very high87.4Confident4 Ų469 Ų693%0.03337%0.369CS..Hα-helixtrans-69.3-27178.100000113.2K122 L123 K124 E128 R332 L334 L404K122-A126 VanDerWaalsContact O-CB 3.22Å; K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 2.78Å; L123-A126 PolarHBondContact O-N 2.97Å; K124-A126 PolarHBondContact O-N 2.81Å; A126-E128 VanDerWaalsContact C-N 3.33Å; A126-R332 HydrophobicContact CB-CB 4.18Å; A126-R332 VanDerWaalsContact O-CD 3.32Å; A126-R332 WeakPolarHBondContact O-CD 3.5Å; A126-L334 HydrophobicContact CB-CD1 3.54Å; A126-L334 HydrophobicContact CB-CD2 4.29Å; A126-L334 HydrophobicContact CB-CG 4.1Å; A126-L404 HydrophobicContact CB-CD1 4.18Å; A126-L404 HydrophobicContact CB-CD2 4.18Å
127A93.2Very high87.8Confident11 Ų1172.9 Ų72.99%0.09138%0.383CS..Hα-helixtrans-84.2-8.5176.200000113.6L123 K124 A125 G129 L130 L400L123-A127 VanDerWaalsContact O-CB 3.24Å; L123-A127 WeakPolarHBondContact O-CB 3.36Å; L123-A127 PolarHBondContact O-N 2.9Å; K124-A127 PolarHBondContact O-N 3.3Å; A125-A127 VanDerWaalsContact C-N 3.28Å; A125-A127 PolarHBondContact O-N 3.02Å; A127-G129 PolarHBondContact O-N 2.81Å; A127-L130 HydrophobicContact CB-CD1 4.2Å; A127-L130 WeakPolarHBondContact O-CB 3.49Å; A127-L130 WeakPolarHBondContact O-CG 3.43Å; A127-L130 PolarHBondContact O-N 2.8Å; A127-L130 VanDerWaalsContact O-N 3.16Å; A127-L400 HydrophobicContact CB-CD1 3.4Å; A127-L400 VanDerWaalsContact CB-CD1 3.4Å; A127-L400 HydrophobicContact CB-CD2 4.07Å; A127-L400 HydrophobicContact CB-CG 3.73Å
128E91.5Very high88Confident146 Ų14673.3 Ų73.368%0.68239%0.391SS*.THydrogen-bonded Turntrans-61135.7176-166.8172.9-168.300111K124 A125 A126 L130K124-E128 PolarHBondContact O-N 2.84Å; K124-E128 VanDerWaalsContact O-N 3.08Å; A125-E128 VanDerWaalsContact O-CB 3.26Å; A125-E128 WeakPolarHBondContact O-CB 3.49Å; A125-E128 PolarHBondContact O-N 3.38Å; A126-E128 VanDerWaalsContact C-N 3.33Å; E128-L130 PolarHBondContact O-N 2.88Å
129G85.6Confident88.1Confident74 Ų7472.3 Ų72.376%0.76338%0.381SS*.THydrogen-bonded Turntrans72.70.7-177.200000115A127 Q131A127-G129 PolarHBondContact O-N 2.81Å; G129-Q131 PolarHBondContact O-N 3.18Å
130L87.4Confident88.3Confident26 Ų2675.7 Ų75.714%0.13641%0.405CS..  trans-72.7111.8166-56.8-176000108.2A127 E128 Q132 F328 L403 L404A127-L130 HydrophobicContact CB-CD1 4.2Å; A127-L130 WeakPolarHBondContact O-CB 3.49Å; A127-L130 WeakPolarHBondContact O-CG 3.43Å; A127-L130 PolarHBondContact O-N 2.8Å; A127-L130 VanDerWaalsContact O-N 3.16Å; E128-L130 PolarHBondContact O-N 2.88Å; L130-Q132 PolarHBondContact O-N 2.9Å; L130-Q132 VanDerWaalsContact O-N 3.11Å; L130-F328 HydrophobicContact CD1-CZ 4.45Å; L130-F328 HydrophobicContact CD2-CE2 4.24Å; L130-F328 HydrophobicContact CD2-CZ 3.76Å; L130-L403 HydrophobicContact CB-CD2 4.48Å; L130-L404 HydrophobicContact CD1-CD1 3.79Å
131Q65.9Low88.5Confident126 Ų12676.5 Ų76.559%0.58941%0.408SS*.  trans-54.3120.4174.6-73.3179.9-31.300109.4G129 D133G129-Q131 PolarHBondContact O-N 3.18Å; Q131-D133 HydrophobicContact CB-CB 4.31Å; Q131-D133 PolarHBondContact O-N 3.25Å
132Q60.8Low88.5Confident155 Ų15575.4 Ų75.472%0.72441%0.411SS*.  trans-74.526.3168-82.5-171.6-61.100112.2L130 M134 L403L130-Q132 PolarHBondContact O-N 2.9Å; L130-Q132 VanDerWaalsContact O-N 3.11Å; Q132-M134 PolarHBondContact O-N 3.05Å; Q132-L403 HydrophobicContact CG-CD2 4.34Å
133D61.3Low88.4Confident116 Ų11672.9 Ų72.962%0.6240%0.402SS*.  trans-72.552.5176.1-73.9-19.1000111Q131 E135Q131-D133 HydrophobicContact CB-CB 4.31Å; Q131-D133 PolarHBondContact O-N 3.25Å; D133-E135 PolarHBondContact O-N 2.95Å
134M78.9Confident88.3Confident84 Ų8472.9 Ų72.941%0.41440%0.402SS..  trans-88.496.5163.6-170.8174.373.200106.6Q132 V435Q132-M134 PolarHBondContact O-N 3.05Å; M134-V435 HydrophobicContact SD-CG1 4.49Å; M134-V435 HydrophobicContact SD-CG2 3.83Å
135E86Confident88.2Confident81 Ų8174 Ų7438%0.37941%0.409SS..EExtended strand (participates in β ladder)trans-74.6125.4172.7-172.6-172.6169.600108.6D133 R137 R421 I423 G424D133-E135 PolarHBondContact O-N 2.95Å; E135-R137 HydrophobicContact CG-CB 4.36Å; E135-R137 PolarHBondContact O-N 2.98Å; E135-R421 IonicContact OE2-CZ 3.06Å; E135-R421 IonicContact OE2-NH2 3.34Å; E135-R421 PolarHBondContact OE2-NH2 3.44Å; E135-I423 WeakPolarHBondContact O-CG2 3.4Å; E135-G424 PolarHBondContact O-N 2.88Å
136D91.3Very high88Confident122 Ų12278.1 Ų78.165%0.65242%0.418SS*.EExtended strand (participates in β ladder)trans-76.5111.1166.8-75.5-25000108.4G424D136-G424 WeakPolarHBondContact OD1-CA 3.16Å
137R94.4Very high87.7Confident88 Ų8880.9 Ų80.933%0.33243%0.43SS..  trans-141.196.1-176.8-168.5169.7-172.7177.3-2.8109.5E135 L139 H170 E173 I423 G424E135-R137 HydrophobicContact CG-CB 4.36Å; E135-R137 PolarHBondContact O-N 2.98Å; R137-L139 HydrophobicContact CG-CD2 4.39Å; R137-L139 HydrophobicContact CG-CG 4.45Å; R137-H170 PolarHBondContact O-CE1 3.02Å; R137-H170 PolarHBondContact O-NE2 3.17Å; R137-E173 VanDerWaalsContact CZ-CD 3.5Å; R137-E173 IonicContact CZ-OE1 2.78Å; R137-E173 IonicContact CZ-OE2 3.59Å; R137-E173 IonicContact NE-OE1 3.75Å; R137-E173 PolarHBondContact NE-OE1 3.15Å; R137-E173 IonicContact NE-OE2 3.8Å; R137-E173 IonicContact NH1-OE1 3.18Å; R137-E173 PolarHBondContact NH1-OE1 2.92Å; R137-E173 IonicContact NH1-OE2 3.96Å; R137-E173 IonicContact NH2-OE1 2.81Å; R137-E173 PolarHBondContact NH2-OE1 2.97Å; R137-I423 HydrophobicContact CB-CG2 3.94Å; R137-G424 CarbonylContact C-O 3.44Å; R137-G424 PolarHBondContact N-O 2.9Å
138T94.8Very high87.7Confident87 Ų8782 Ų8253%0.53443%0.434SS..  trans-89.2113.3177.3-61.90000110I426T138-I426 WeakPolarHBondContact OG1-CA 3.16Å
139L96.2Very high87.6Confident40 Ų4079.3 Ų79.321%0.20943%0.432CS..  trans-101.5169171.5-60.9-179000110.8R137 S166 E173R137-L139 HydrophobicContact CG-CD2 4.39Å; R137-L139 HydrophobicContact CG-CG 4.45Å; L139-S166 WeakPolarHBondContact O-CA 3.41Å; L139-S166 WeakPolarHBondContact O-CB 3.29Å; L139-S166 PolarHBondContact O-OG 3.38Å; L139-E173 HydrophobicContact CD1-CB 3.9Å; L139-E173 HydrophobicContact CD1-CG 4.45Å
140S96.4Very high87.8Confident77 Ų7778.1 Ų78.154%0.53841%0.408SS..  trans-151.1127.6172.6-174.20000110
141H97.2Very high87.8Confident20 Ų2082.8 Ų82.89%0.09344%0.44CS..  trans-86.7131.1178.1-169.2-74.7000111.8V143 L144 A165 L168 Q172 L177H141-V143 WeakPolarHBondContact ND1-CB 3.44Å; H141-V143 WeakPolarHBondContact ND1-CG1 3.32Å; H141-V143 PolarHBondContact ND1-N 3Å; H141-V143 VanDerWaalsContact ND1-N 3.11Å; H141-V143 PolarHBondContact O-N 2.98Å; H141-V143 VanDerWaalsContact O-N 3.08Å; H141-L144 PolarHBondContact O-N 2.95Å; H141-A165 PolarHBondContact N-O 3.32Å; H141-L168 HydrophobicContact CB-CB 3.49Å; H141-L168 VanDerWaalsContact CB-CB 3.49Å; H141-L168 HydrophobicContact CB-CD2 4.37Å; H141-Q172 PolarHBondContact CD2-OE1 3.19Å; H141-Q172 PolarHBondContact NE2-OE1 3.36Å; H141-Q172 VanDerWaalsContact NE2-OE1 3.11Å; H141-L177 WeakPolarHBondContact NE2-CD2 3.41Å
142P95.8Very high88.8Confident85 Ų8585.5 Ų85.555%0.55245%0.45SS*.G310 helixtrans-56.8-28.5-175.8-27.734.6000115.6L144 Q145P142-L144 PolarHBondContact O-N 3.37Å; P142-Q145 WeakPolarHBondContact O-CB 3.38Å; P142-Q145 PolarHBondContact O-N 3.05Å
143V95.1Very high89.9Confident28 Ų2880 Ų8017%0.1743%0.425CS..G310 helixtrans-55.4-24.3179.279.70000114.3H141 L168 W196 R199 A200H141-V143 WeakPolarHBondContact ND1-CB 3.44Å; H141-V143 WeakPolarHBondContact ND1-CG1 3.32Å; H141-V143 PolarHBondContact ND1-N 3Å; H141-V143 VanDerWaalsContact ND1-N 3.11Å; H141-V143 PolarHBondContact O-N 2.98Å; H141-V143 VanDerWaalsContact O-N 3.08Å; V143-L168 HydrophobicContact CG1-CD2 3.66Å; V143-W196 HydrophobicContact CG1-CE3 4.36Å; V143-R199 HydrophobicContact CG2-CB 3.7Å; V143-A200 HydrophobicContact CB-CB 4.4Å; V143-A200 HydrophobicContact CG1-CB 4.24Å; V143-A200 HydrophobicContact CG2-CB 4.47Å
144L94.7Very high91Very high0 Ų076.7 Ų76.70%042%0.418CS..G310 helixtrans-96.1-2.2177.1-72.799000113.5H141 P142 E146 E147 L148 L161 Q164 A165 L168 W196H141-L144 PolarHBondContact O-N 2.95Å; P142-L144 PolarHBondContact O-N 3.37Å; L144-E146 PolarHBondContact O-N 3.23Å; L144-E147 PolarHBondContact O-N 3.16Å; L144-L148 HydrophobicContact CB-CD1 4.03Å; L144-L148 HydrophobicContact CB-CG 4.31Å; L144-L148 WeakPolarHBondContact O-CB 3.19Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.45Å; L144-L148 PolarHBondContact O-N 2.91Å; L144-L161 HydrophobicContact CD2-CD2 3.9Å; L144-Q164 HydrophobicContact CD2-CB 3.88Å; L144-A165 HydrophobicContact CB-CB 3.98Å; L144-A165 HydrophobicContact CD1-CB 4.12Å; L144-A165 HydrophobicContact CD2-CB 4.27Å; L144-A165 HydrophobicContact CG-CB 4.35Å; L144-L168 HydrophobicContact CD1-CD2 3.95Å; L144-W196 HydrophobicContact CD1-CB 4.16Å; L144-W196 HydrophobicContact CD1-CD2 4.05Å; L144-W196 HydrophobicContact CD1-CE3 4.21Å; L144-W196 HydrophobicContact CD1-CG 4Å; L144-W196 HydrophobicContact CD2-CD2 3.74Å; L144-W196 HydrophobicContact CD2-CE3 4.32Å; L144-W196 HydrophobicContact CD2-CG 3.94Å; L144-W196 HydrophobicContact CD2-CZ2 4.2Å; L144-W196 HydrophobicContact CG-CD2 3.7Å; L144-W196 HydrophobicContact CG-CE3 3.8Å; L144-W196 HydrophobicContact CG-CG 4.1Å; L144-W196 HydrophobicContact CG-CZ2 4.5Å; L144-W196 HydrophobicContact CG-CZ3 4.27Å
145Q92.9Very high91.1Very high126 Ų12675.7 Ų75.759%0.58943%0.43SS*.Hα-helixtrans-59.5-44.4-171.7-173.3174.74.800112.4P142 E147 L148 S149P142-Q145 WeakPolarHBondContact O-CB 3.38Å; P142-Q145 PolarHBondContact O-N 3.05Å; Q145-E147 VanDerWaalsContact C-N 3.34Å; Q145-E147 PolarHBondContact O-N 3.21Å; Q145-L148 PolarHBondContact O-N 2.7Å; Q145-S149 WeakPolarHBondContact O-CB 3.3Å; Q145-S149 PolarHBondContact O-N 3.35Å; Q145-S149 PolarHBondContact O-OG 2.97Å
146E91.8Very high91Very high145 Ų14575.3 Ų75.368%0.67844%0.436SS*.Hα-helixtrans-58.1-45.6177.4-173.3-176.5-17800111.8L144 S149 D150L144-E146 PolarHBondContact O-N 3.23Å; E146-S149 PolarHBondContact O-N 3.44Å; E146-D150 PolarHBondContact O-N 3.07Å; E146-D150 VanDerWaalsContact O-N 3.13Å
147E91.7Very high90.7Very high61 Ų6170.9 Ų70.929%0.28542%0.417SS..Hα-helixtrans-74.6-32.1-177.9-65-94.7-178.100112.1L144 Q145 S149 D150 N153 L161 W196 R199L144-E147 PolarHBondContact O-N 3.16Å; Q145-E147 VanDerWaalsContact C-N 3.34Å; Q145-E147 PolarHBondContact O-N 3.21Å; E147-S149 PolarHBondContact O-N 3.27Å; E147-D150 PolarHBondContact O-N 3.05Å; E147-N153 PolarHBondContact O-ND2 3Å; E147-L161 HydrophobicContact CB-CD1 4.2Å; E147-L161 HydrophobicContact CB-CD2 4.15Å; E147-W196 HydrophobicContact CB-CH2 4.34Å; E147-W196 HydrophobicContact CG-CH2 3.61Å; E147-W196 HydrophobicContact CG-CZ2 4.32Å; E147-W196 HydrophobicContact CG-CZ3 4.38Å; E147-R199 IonicContact OE1-NH1 3.31Å
148L91.3Very high90.5Very high35 Ų3568.9 Ų68.918%0.18341%0.411CS..Hα-helixtrans-68-24.8171.9-77168.4000112.5L144 Q145 H158 L161 K162 A165L144-L148 HydrophobicContact CB-CD1 4.03Å; L144-L148 HydrophobicContact CB-CG 4.31Å; L144-L148 WeakPolarHBondContact O-CB 3.19Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.45Å; L144-L148 PolarHBondContact O-N 2.91Å; Q145-L148 PolarHBondContact O-N 2.7Å; L148-H158 PolarHBondContact O-NE2 3.02Å; L148-H158 VanDerWaalsContact O-NE2 3.12Å; L148-L161 HydrophobicContact CD2-CB 3.58Å; L148-L161 HydrophobicContact CG-CB 4.23Å; L148-K162 HydrophobicContact CD2-CB 4.46Å; L148-K162 HydrophobicContact CD2-CG 3.71Å; L148-A165 HydrophobicContact CD1-CB 3.91Å
149S90.4Very high90.3Very high89 Ų8968.4 Ų68.462%0.62240%0.401SS*.SBendtrans-94.8-6.1177.5-64.40000113.4Q145 E146 E147 P151Q145-S149 WeakPolarHBondContact O-CB 3.3Å; Q145-S149 PolarHBondContact O-N 3.35Å; Q145-S149 PolarHBondContact O-OG 2.97Å; E146-S149 PolarHBondContact O-N 3.44Å; E147-S149 PolarHBondContact O-N 3.27Å; S149-P151 VanDerWaalsContact O-CD 3.23Å; S149-P151 WeakPolarHBondContact O-CD 3.4Å
150D90.6Very high90Very high49 Ų4969.6 Ų69.626%0.26241%0.406SS..  trans-71.1113.1179.8-175.3-7.2000110.9E146 E147 K152 N153E146-D150 PolarHBondContact O-N 3.07Å; E146-D150 VanDerWaalsContact O-N 3.13Å; E147-D150 PolarHBondContact O-N 3.05Å; D150-K152 PolarHBondContact O-N 3.34Å; D150-K152 VanDerWaalsContact O-N 3.09Å; D150-K152 VanDerWaalsContact OD1-CB 3.23Å; D150-K152 WeakPolarHBondContact OD1-CB 3.38Å; D150-K152 WeakPolarHBondContact OD1-CG 3.23Å; D150-K152 PolarHBondContact OD1-N 2.98Å; D150-N153 WeakPolarHBondContact O-CB 3.27Å; D150-N153 PolarHBondContact O-N 3.41Å; D150-N153 VanDerWaalsContact O-N 3.1Å
151P85.6Confident89.9Confident124 Ų12466.4 Ų66.481%0.80538%0.382SS*.THydrogen-bonded Turntrans-66.2-13.6-17929.5-36.6000113.2S149 N153S149-P151 VanDerWaalsContact O-CD 3.23Å; S149-P151 WeakPolarHBondContact O-CD 3.4Å; P151-N153 PolarHBondContact O-N 2.92Å
152K87.8Confident89.8Confident184 Ų18470.3 Ų70.380%0.840%0.399SS*.THydrogen-bonded Turntrans-73.9-16.9176.1-62.1172.4-177.8170.40112.5D150 G154D150-K152 PolarHBondContact O-N 3.34Å; D150-K152 VanDerWaalsContact O-N 3.09Å; D150-K152 VanDerWaalsContact OD1-CB 3.23Å; D150-K152 WeakPolarHBondContact OD1-CB 3.38Å; D150-K152 WeakPolarHBondContact OD1-CG 3.23Å; D150-K152 PolarHBondContact OD1-N 2.98Å; K152-G154 PolarHBondContact O-N 2.98Å
153N84.1Confident89.8Confident38 Ų3866.3 Ų66.320%0.20337%0.373CS..SBendtrans-74.6119.3179.8-79.2-37.5000110.8E147 D150 P151 A157 H158 L161E147-N153 PolarHBondContact O-ND2 3Å; D150-N153 WeakPolarHBondContact O-CB 3.27Å; D150-N153 PolarHBondContact O-N 3.41Å; D150-N153 VanDerWaalsContact O-N 3.1Å; P151-N153 PolarHBondContact O-N 2.92Å; N153-A157 HydrophobicContact CB-CB 4.21Å; N153-H158 WeakPolarHBondContact CB-CE1 3.46Å; N153-H158 WeakPolarHBondContact CB-ND1 3.36Å; N153-H158 PolarHBondContact O-CE1 3.08Å; N153-H158 PolarHBondContact O-ND1 3.22Å; N153-L161 WeakPolarHBondContact ND2-CD1 3.4Å
154G83.8Confident89.8Confident47 Ų4765 Ų6549%0.48537%0.365SS..  trans-67.216517200000112.7K152 S156 A157 H158K152-G154 PolarHBondContact O-N 2.98Å; G154-S156 VanDerWaalsContact C-N 3.28Å; G154-S156 PolarHBondContact O-N 2.99Å; G154-A157 WeakPolarHBondContact O-CB 3.32Å; G154-A157 PolarHBondContact O-N 2.58Å; G154-H158 PolarHBondContact O-N 3.46Å; G154-H158 PolarHBondContact O-ND1 3.32Å
155G82.4Confident89.9Confident63 Ų6365 Ų6565%0.64937%0.365SS*.Hα-helixtrans-55.2-37.4-176.600000114.7H158 K159G155-H158 PolarHBondContact O-N 3.35Å; G155-K159 WeakPolarHBondContact O-CB 3.45Å; G155-K159 PolarHBondContact O-N 2.88Å
156S82.8Confident90.1Very high73 Ų7359 Ų5951%0.5134%0.337SS..Hα-helixtrans-65.3-38.9175.1176.70000112.8G154 H160G154-S156 VanDerWaalsContact C-N 3.28Å; G154-S156 PolarHBondContact O-N 2.99Å; S156-H160 PolarHBondContact O-CD2 2.72Å; S156-H160 PolarHBondContact O-N 2.75Å
157A85.9Confident90.4Very high30 Ų3052.2 Ų52.225%0.24831%0.305CS..Hα-helixtrans-67.9-46.2176.200000110.6N153 G154 K159 H160 L161N153-A157 HydrophobicContact CB-CB 4.21Å; G154-A157 WeakPolarHBondContact O-CB 3.32Å; G154-A157 PolarHBondContact O-N 2.58Å; A157-K159 PolarHBondContact O-N 2.83Å; A157-H160 PolarHBondContact O-N 3.45Å; A157-L161 WeakPolarHBondContact O-CG 3.38Å; A157-L161 PolarHBondContact O-N 3.34Å
158H88.9Confident90.7Very high46 Ų4649.3 Ų49.321%0.21329%0.292CS..Hα-helixtrans-55.5-46.5174.8-8996.5000112.6L148 N153 G154 G155 H160 L161 K162L148-H158 PolarHBondContact O-NE2 3.02Å; L148-H158 VanDerWaalsContact O-NE2 3.12Å; N153-H158 WeakPolarHBondContact CB-CE1 3.46Å; N153-H158 WeakPolarHBondContact CB-ND1 3.36Å; N153-H158 PolarHBondContact O-CE1 3.08Å; N153-H158 PolarHBondContact O-ND1 3.22Å; G154-H158 PolarHBondContact O-N 3.46Å; G154-H158 PolarHBondContact O-ND1 3.32Å; G155-H158 PolarHBondContact O-N 3.35Å; H158-H160 VanDerWaalsContact C-N 3.34Å; H158-H160 PolarHBondContact O-N 3.11Å; H158-L161 PolarHBondContact O-N 3.35Å; H158-L161 VanDerWaalsContact O-N 3.15Å; H158-K162 WeakPolarHBondContact O-CG 3.26Å; H158-K162 PolarHBondContact O-N 3.32Å
159K90.7Very high91Very high76 Ų7648 Ų4833%0.3329%0.287SS..Hα-helixtrans-54-50.2175.3169.7171.5176.81470111.7G155 A157 K162 Q163 V430 T431G155-K159 WeakPolarHBondContact O-CB 3.45Å; G155-K159 PolarHBondContact O-N 2.88Å; A157-K159 PolarHBondContact O-N 2.83Å; K159-K162 PolarHBondContact O-N 3.36Å; K159-Q163 WeakPolarHBondContact O-CG 3.49Å; K159-Q163 PolarHBondContact O-N 2.92Å; K159-Q163 VanDerWaalsContact O-N 3.17Å; K159-V430 HydrophobicContact CB-CG1 4.27Å; K159-V430 WeakPolarHBondContact CD-O 3.39Å; K159-V430 WeakPolarHBondContact CE-O 3.49Å; K159-V430 HydrophobicContact CG-CG1 3.82Å; K159-V430 PolarHBondContact NZ-O 2.75Å; K159-T431 PolarHBondContact NZ-OG1 3.01Å
160H91.2Very high91.4Very high66 Ų6643.7 Ų43.731%0.30626%0.257SS..Hα-helixtrans-65.7-38.2178.1-75.5-57.3000112.5S156 A157 H158 Q163 Q164S156-H160 PolarHBondContact O-CD2 2.72Å; S156-H160 PolarHBondContact O-N 2.75Å; A157-H160 PolarHBondContact O-N 3.45Å; H158-H160 VanDerWaalsContact C-N 3.34Å; H158-H160 PolarHBondContact O-N 3.11Å; H160-Q163 PolarHBondContact O-N 3.4Å; H160-Q164 WeakPolarHBondContact O-CG 3.32Å; H160-Q164 PolarHBondContact O-N 3.43Å; H160-Q164 VanDerWaalsContact O-N 3.09Å
161L94.3Very high91.7Very high9 Ų941.4 Ų41.45%0.04725%0.245CC..Hα-helixtrans-63.7-45.5177.5-70.9167000111.3L144 E147 L148 N153 A157 H158 Q163 Q164 A165 W196L144-L161 HydrophobicContact CD2-CD2 3.9Å; E147-L161 HydrophobicContact CB-CD1 4.2Å; E147-L161 HydrophobicContact CB-CD2 4.15Å; L148-L161 HydrophobicContact CD2-CB 3.58Å; L148-L161 HydrophobicContact CG-CB 4.23Å; N153-L161 WeakPolarHBondContact ND2-CD1 3.4Å; A157-L161 WeakPolarHBondContact O-CG 3.38Å; A157-L161 PolarHBondContact O-N 3.34Å; H158-L161 PolarHBondContact O-N 3.35Å; H158-L161 VanDerWaalsContact O-N 3.15Å; L161-Q163 VanDerWaalsContact C-N 3.34Å; L161-Q163 PolarHBondContact O-N 3.27Å; L161-Q164 PolarHBondContact O-N 3.35Å; L161-A165 WeakPolarHBondContact O-CB 3.41Å; L161-A165 PolarHBondContact O-N 3.44Å; L161-W196 HydrophobicContact CD2-CZ2 3.87Å
162K94.7Very high92.3Very high103 Ų10340.6 Ų40.645%0.44823%0.23SC..Hα-helixtrans-59.5-43.7177.3-69.1-176.5175.5-172.80111.9L148 H158 K159 Q164 A165 S166 I426 V430L148-K162 HydrophobicContact CD2-CB 4.46Å; L148-K162 HydrophobicContact CD2-CG 3.71Å; H158-K162 WeakPolarHBondContact O-CG 3.26Å; H158-K162 PolarHBondContact O-N 3.32Å; K159-K162 PolarHBondContact O-N 3.36Å; K162-Q164 PolarHBondContact O-N 3.19Å; K162-A165 PolarHBondContact O-N 2.99Å; K162-S166 PolarHBondContact O-N 2.66Å; K162-I426 HydrophobicContact CB-CD1 3.71Å; K162-V430 HydrophobicContact CB-CG1 4.41Å; K162-V430 HydrophobicContact CD-CG1 4.48Å; K162-V430 HydrophobicContact CD-CG2 3.93Å
163Q94.9Very high92.8Very high0 Ų035.6 Ų35.60%021%0.21CC..Hα-helixtrans-59.2-46.3175.7-71.9175.1-1700112.1K159 H160 L161 S166 L167 H263 Y425 I426 T431K159-Q163 WeakPolarHBondContact O-CG 3.49Å; K159-Q163 PolarHBondContact O-N 2.92Å; K159-Q163 VanDerWaalsContact O-N 3.17Å; H160-Q163 PolarHBondContact O-N 3.4Å; L161-Q163 VanDerWaalsContact C-N 3.34Å; L161-Q163 PolarHBondContact O-N 3.27Å; Q163-S166 PolarHBondContact O-N 3.46Å; Q163-L167 WeakPolarHBondContact O-CB 3.15Å; Q163-L167 WeakPolarHBondContact O-CG 3.45Å; Q163-L167 PolarHBondContact O-N 3.14Å; Q163-H263 PolarHBondContact OE1-NE2 3.41Å; Q163-Y425 HydrophobicContact CB-CE2 4.27Å; Q163-Y425 HydrophobicContact CG-CE2 4.37Å; Q163-I426 HydrophobicContact CG-CD1 4.01Å; Q163-T431 HydrophobicContact CG-CG2 4.46Å; Q163-T431 VanDerWaalsContact NE2-CG2 3.25Å
164Q95.9Very high93.3Very high1 Ų135.6 Ų35.61%0.00521%0.209CC..Hα-helixtrans-67.3-39.7179.5-61.7-68.184.900111.8L144 H160 L161 K162 S166 L167 L168 L193 K262L144-Q164 HydrophobicContact CD2-CB 3.88Å; H160-Q164 WeakPolarHBondContact O-CG 3.32Å; H160-Q164 PolarHBondContact O-N 3.43Å; H160-Q164 VanDerWaalsContact O-N 3.09Å; L161-Q164 PolarHBondContact O-N 3.35Å; K162-Q164 PolarHBondContact O-N 3.19Å; Q164-S166 VanDerWaalsContact C-N 3.35Å; Q164-L167 PolarHBondContact O-N 3.16Å; Q164-L168 VanDerWaalsContact O-CD1 3.25Å; Q164-L168 WeakPolarHBondContact O-CD1 3.3Å; Q164-L168 PolarHBondContact O-N 3.33Å; Q164-L193 VanDerWaalsContact NE2-CB 3.31Å; Q164-K262 VanDerWaalsContact OE1-CB 3.27Å
165A96.9Very high94Very high0 Ų035.1 Ų35.10%020%0.204CC..Hα-helixtrans-61.7-43.2176.800000111.7H141 L144 L148 L161 K162 G169H141-A165 PolarHBondContact N-O 3.32Å; L144-A165 HydrophobicContact CB-CB 3.98Å; L144-A165 HydrophobicContact CD1-CB 4.12Å; L144-A165 HydrophobicContact CD2-CB 4.27Å; L144-A165 HydrophobicContact CG-CB 4.35Å; L148-A165 HydrophobicContact CD1-CB 3.91Å; L161-A165 WeakPolarHBondContact O-CB 3.41Å; L161-A165 PolarHBondContact O-N 3.44Å; K162-A165 PolarHBondContact O-N 2.99Å; A165-G169 PolarHBondContact O-N 3.46Å
166S97.4Very high94.6Very high1 Ų132.3 Ų32.31%0.00717%0.174CC..Hα-helixtrans-67.6-44.9176178.80000112.7L139 K162 Q163 Q164 L168 G169 H170 Y425L139-S166 WeakPolarHBondContact O-CA 3.41Å; L139-S166 WeakPolarHBondContact O-CB 3.29Å; L139-S166 PolarHBondContact O-OG 3.38Å; K162-S166 PolarHBondContact O-N 2.66Å; Q163-S166 PolarHBondContact O-N 3.46Å; Q164-S166 VanDerWaalsContact C-N 3.35Å; S166-L168 VanDerWaalsContact C-N 3.31Å; S166-L168 PolarHBondContact O-N 3.45Å; S166-G169 WeakPolarHBondContact O-CA 3.4Å; S166-G169 PolarHBondContact O-N 3.49Å; S166-H170 PolarHBondContact O-CD2 3.43Å; S166-H170 PolarHBondContact O-N 3.18Å; S166-H170 PolarHBondContact OG-CD2 3.06Å; S166-Y425 WeakPolarHBondContact CB-O 3.33Å; S166-Y425 PolarHBondContact OG-O 2.98Å
167L97.3Very high95.3Very high1 Ų129.6 Ų29.61%0.00515%0.154CC..Hα-helixtrans-54.2-46.1174-79.5166.5000112.3Q163 Q164 G169 H170 L171 L193 K262 A311 Y425 L436Q163-L167 WeakPolarHBondContact O-CB 3.15Å; Q163-L167 WeakPolarHBondContact O-CG 3.45Å; Q163-L167 PolarHBondContact O-N 3.14Å; Q164-L167 PolarHBondContact O-N 3.16Å; L167-G169 VanDerWaalsContact C-N 3.34Å; L167-H170 PolarHBondContact O-N 3.04Å; L167-L171 WeakPolarHBondContact O-CG 3.3Å; L167-L171 PolarHBondContact O-N 3.49Å; L167-L193 HydrophobicContact CB-CD1 4.23Å; L167-L193 HydrophobicContact CD1-CD1 4.3Å; L167-L193 HydrophobicContact CD1-CD2 4.49Å; L167-K262 HydrophobicContact CD1-CB 3.55Å; L167-A311 HydrophobicContact CD2-CB 4.38Å; L167-Y425 HydrophobicContact CG-CD2 4.47Å; L167-Y425 HydrophobicContact CG-CE2 4.25Å; L167-L436 HydrophobicContact CD2-CD1 3.39Å; L167-L436 HydrophobicContact CD2-CD2 4.2Å; L167-L436 HydrophobicContact CD2-CG 4.42Å
168L97.8Very high95.6Very high0 Ų030.2 Ų30.20%016%0.156CC..Hα-helixtrans-65.3-37175.6-93.371.6000112.4H141 V143 L144 Q164 S166 L171 Q172 L177 L193 W196 I197 A200H141-L168 HydrophobicContact CB-CB 3.49Å; H141-L168 VanDerWaalsContact CB-CB 3.49Å; H141-L168 HydrophobicContact CB-CD2 4.37Å; V143-L168 HydrophobicContact CG1-CD2 3.66Å; L144-L168 HydrophobicContact CD1-CD2 3.95Å; Q164-L168 VanDerWaalsContact O-CD1 3.25Å; Q164-L168 WeakPolarHBondContact O-CD1 3.3Å; Q164-L168 PolarHBondContact O-N 3.33Å; S166-L168 VanDerWaalsContact C-N 3.31Å; S166-L168 PolarHBondContact O-N 3.45Å; L168-L171 PolarHBondContact O-N 2.96Å; L168-Q172 WeakPolarHBondContact O-CB 3.35Å; L168-Q172 PolarHBondContact O-N 2.92Å; L168-L177 HydrophobicContact CG-CD2 4.49Å; L168-L193 HydrophobicContact CD1-CD1 3.52Å; L168-W196 HydrophobicContact CD1-CB 4.02Å; L168-W196 HydrophobicContact CD2-CB 3.74Å; L168-I197 HydrophobicContact CD1-CG1 4.22Å; L168-I197 HydrophobicContact CG-CG1 4.48Å; L168-A200 HydrophobicContact CD2-CB 4.17Å
169G98Very high95.7Very high7 Ų734.3 Ų34.37%0.07217%0.17CC..Hα-helixtrans-59.7-45.9175.100000111.9A165 S166 L167 Q172 E173A165-G169 PolarHBondContact O-N 3.46Å; S166-G169 WeakPolarHBondContact O-CA 3.4Å; S166-G169 PolarHBondContact O-N 3.49Å; L167-G169 VanDerWaalsContact C-N 3.34Å; G169-Q172 PolarHBondContact O-N 3.13Å; G169-E173 PolarHBondContact O-N 3.47Å
170H98.1Very high95.7Very high0 Ų032 Ų320%017%0.168CC..Hα-helixtrans-66.8-40.2175.2-73-67.2000112.9R137 S166 L167 Q172 E173 L174 Y425 L436R137-H170 PolarHBondContact O-CE1 3.02Å; R137-H170 PolarHBondContact O-NE2 3.17Å; S166-H170 PolarHBondContact O-CD2 3.43Å; S166-H170 PolarHBondContact O-N 3.18Å; S166-H170 PolarHBondContact OG-CD2 3.06Å; L167-H170 PolarHBondContact O-N 3.04Å; H170-Q172 VanDerWaalsContact C-N 3.26Å; H170-Q172 PolarHBondContact O-N 3.28Å; H170-E173 IonicContact ND1-OE2 3.56Å; H170-E173 PolarHBondContact O-N 3.26Å; H170-L174 WeakPolarHBondContact O-CB 3.35Å; H170-L174 WeakPolarHBondContact O-CD1 3.41Å; H170-L174 WeakPolarHBondContact O-CG 3.48Å; H170-L174 PolarHBondContact O-N 3.46Å; H170-Y425 WeakPolarHBondContact NE2-CB 3.39Å; H170-L436 HydrophobicContact CB-CD2 3.77Å
171L98.1Very high95.8Very high1 Ų130.9 Ų30.91%0.00516%0.161CC..Hα-helixtrans-59.5-40174-72.9170.1000111.4L167 L168 G175 L176 L177 I197 V258 V260 A309L167-L171 WeakPolarHBondContact O-CG 3.3Å; L167-L171 PolarHBondContact O-N 3.49Å; L168-L171 PolarHBondContact O-N 2.96Å; L171-G175 PolarHBondContact O-N 3.36Å; L171-L176 HydrophobicContact CD2-CB 3.88Å; L171-L176 HydrophobicContact CD2-CD1 4.1Å; L171-L176 CarbonylContact O-C 3.56Å; L171-L176 WeakPolarHBondContact O-CA 3.41Å; L171-L176 PolarHBondContact O-N 3.06Å; L171-L177 HydrophobicContact CB-CB 3.91Å; L171-L177 PolarHBondContact O-N 2.85Å; L171-I197 HydrophobicContact CD1-CD1 4.28Å; L171-V258 HydrophobicContact CD2-CG1 4.17Å; L171-V260 HydrophobicContact CD1-CG1 3.95Å; L171-V260 HydrophobicContact CD2-CG1 3.99Å; L171-A309 HydrophobicContact CD2-CB 3.68Å; L171-A309 HydrophobicContact CG-CB 4.21Å
172Q97.6Very high95.9Very high107 Ų10730.5 Ų30.550%0.516%0.159SC..Hα-helixtrans-66.4-46.9176.1-177.4176.5-21.500111.9H141 L168 G169 H170 L174 G175 L177H141-Q172 PolarHBondContact CD2-OE1 3.19Å; H141-Q172 PolarHBondContact NE2-OE1 3.36Å; H141-Q172 VanDerWaalsContact NE2-OE1 3.11Å; L168-Q172 WeakPolarHBondContact O-CB 3.35Å; L168-Q172 PolarHBondContact O-N 2.92Å; G169-Q172 PolarHBondContact O-N 3.13Å; H170-Q172 VanDerWaalsContact C-N 3.26Å; H170-Q172 PolarHBondContact O-N 3.28Å; Q172-L174 VanDerWaalsContact C-N 3.32Å; Q172-L174 PolarHBondContact O-N 2.93Å; Q172-G175 PolarHBondContact O-N 2.72Å; Q172-L177 HydrophobicContact CB-CB 4.21Å; Q172-L177 HydrophobicContact CB-CD2 4.12Å
173E97.1Very high96Very high79 Ų7925.6 Ų25.637%0.36914%0.138SC..Hα-helixtrans-60-40.9178.2172.8170.3-91.800112.8R137 L139 G169 H170 G175R137-E173 VanDerWaalsContact CZ-CD 3.5Å; R137-E173 IonicContact CZ-OE1 2.78Å; R137-E173 IonicContact CZ-OE2 3.59Å; R137-E173 IonicContact NE-OE1 3.75Å; R137-E173 PolarHBondContact NE-OE1 3.15Å; R137-E173 IonicContact NE-OE2 3.8Å; R137-E173 IonicContact NH1-OE1 3.18Å; R137-E173 PolarHBondContact NH1-OE1 2.92Å; R137-E173 IonicContact NH1-OE2 3.96Å; R137-E173 IonicContact NH2-OE1 2.81Å; R137-E173 PolarHBondContact NH2-OE1 2.97Å; L139-E173 HydrophobicContact CD1-CB 3.9Å; L139-E173 HydrophobicContact CD1-CG 4.45Å; G169-E173 PolarHBondContact O-N 3.47Å; H170-E173 IonicContact ND1-OE2 3.56Å; H170-E173 PolarHBondContact O-N 3.26Å; E173-G175 PolarHBondContact O-N 2.99Å
174L96.4Very high96.1Very high37 Ų3725.6 Ų25.619%0.19414%0.138CC..THydrogen-bonded Turntrans-73.1-1.2176.8-66169.1000112.9H170 Q172 L176 T438 L440H170-L174 WeakPolarHBondContact O-CB 3.35Å; H170-L174 WeakPolarHBondContact O-CD1 3.41Å; H170-L174 WeakPolarHBondContact O-CG 3.48Å; H170-L174 PolarHBondContact O-N 3.46Å; Q172-L174 VanDerWaalsContact C-N 3.32Å; Q172-L174 PolarHBondContact O-N 2.93Å; L174-L176 HydrophobicContact CB-CB 4.44Å; L174-L176 HydrophobicContact CB-CD1 4.03Å; L174-L176 HydrophobicContact CB-CG 3.92Å; L174-L176 HydrophobicContact CD1-CD1 4.07Å; L174-L176 PolarHBondContact O-N 3.1Å; L174-T438 HydrophobicContact CD1-CG2 3.81Å; L174-L440 HydrophobicContact CD2-CD1 3.99Å; L174-L440 HydrophobicContact CD2-CG 4.46Å
175G96.6Very high96.2Very high37 Ų3725.6 Ų25.638%0.38114%0.138SC..THydrogen-bonded Turntrans66.116.6-173.900000113.5L171 Q172 E173 R181L171-G175 PolarHBondContact O-N 3.36Å; Q172-G175 PolarHBondContact O-N 2.72Å; E173-G175 PolarHBondContact O-N 2.99Å; G175-R181 PolarHBondContact O-NH1 3.39Å; G175-R181 PolarHBondContact O-NH2 2.79Å
176L96.9Very high96.2Very high4 Ų425.8 Ų25.82%0.02114%0.138CC..  trans-87.6-22.9179.6-68.2178.8000113.2L171 L174 S178 R181 F183 V258 L306 L440L171-L176 HydrophobicContact CD2-CB 3.88Å; L171-L176 HydrophobicContact CD2-CD1 4.1Å; L171-L176 CarbonylContact O-C 3.56Å; L171-L176 WeakPolarHBondContact O-CA 3.41Å; L171-L176 PolarHBondContact O-N 3.06Å; L174-L176 HydrophobicContact CB-CB 4.44Å; L174-L176 HydrophobicContact CB-CD1 4.03Å; L174-L176 HydrophobicContact CB-CG 3.92Å; L174-L176 HydrophobicContact CD1-CD1 4.07Å; L174-L176 PolarHBondContact O-N 3.1Å; L176-S178 PolarHBondContact O-N 3.14Å; L176-S178 VanDerWaalsContact O-N 3.14Å; L176-R181 PolarHBondContact O-NH1 2.85Å; L176-F183 WeakPolarHBondContact O-CE1 3.5Å; L176-F183 VanDerWaalsContact O-CZ 3.26Å; L176-F183 WeakPolarHBondContact O-CZ 3.35Å; L176-V258 HydrophobicContact CB-CG1 4.13Å; L176-V258 HydrophobicContact CD1-CG1 4.25Å; L176-V258 HydrophobicContact CD2-CG1 4.44Å; L176-V258 HydrophobicContact CD2-CG2 4.23Å; L176-L306 HydrophobicContact CD2-CB 4.01Å; L176-L440 HydrophobicContact CD1-CD2 3.93Å; L176-L440 HydrophobicContact CD2-CD2 3.75Å; L176-L440 HydrophobicContact CG-CD2 3.9Å
177L96Very high96Very high17 Ų1727.1 Ų27.19%0.08915%0.152CC..SBendtrans-83.582.2173.3-166.664.6000110.7H141 L168 L171 Q172 F183 I197 A200 L201H141-L177 WeakPolarHBondContact NE2-CD2 3.41Å; L168-L177 HydrophobicContact CG-CD2 4.49Å; L171-L177 HydrophobicContact CB-CB 3.91Å; L171-L177 PolarHBondContact O-N 2.85Å; Q172-L177 HydrophobicContact CB-CB 4.21Å; Q172-L177 HydrophobicContact CB-CD2 4.12Å; L177-F183 HydrophobicContact CD1-CE1 4.47Å; L177-F183 HydrophobicContact CD1-CZ 4.29Å; L177-I197 HydrophobicContact CD1-CB 4.4Å; L177-I197 HydrophobicContact CD1-CG1 4.19Å; L177-I197 HydrophobicContact CD1-CG2 3.95Å; L177-A200 HydrophobicContact CD2-CB 4.1Å; L177-L201 HydrophobicContact CD1-CD1 4.4Å; L177-L201 HydrophobicContact CD1-CD2 4.41Å; L177-L201 HydrophobicContact CD1-CG 4.32Å; L177-L201 HydrophobicContact CG-CD2 4.15Å
178S92.8Very high95.7Very high42 Ų4227.1 Ų27.129%0.29415%0.153SC..  trans-149.2164.3176.7-41.90000111.4L176 R181L176-S178 PolarHBondContact O-N 3.14Å; L176-S178 VanDerWaalsContact O-N 3.14Å; S178-R181 VanDerWaalsContact CB-CZ 3.48Å; S178-R181 PolarHBondContact OG-NH1 2.96Å; S178-R181 VanDerWaalsContact OG-NH1 3.1Å
179R90.5Very high95.3Very high133 Ų13328 Ų2850%0.50216%0.161SC..SBendtrans-70.5172.3174.4-59.8-178.3-177.7161.81.2111.5L201 Q202R179-L201 HydrophobicContact CG-CB 4.49Å; R179-L201 PolarHBondContact NE-O 3.06Å; R179-L201 PolarHBondContact NH2-O 3.37Å; R179-Q202 PolarHBondContact NH2-O 3.37Å
180G91.4Very high94.7Very high27 Ų2734.1 Ų34.128%0.27818%0.182SC..SBendtrans74.430.6-178.500000112.5D206 P256G180-D206 WeakPolarHBondContact CA-O 3.42Å; G180-D206 PolarHBondContact N-O 3.22Å; G180-P256 WeakPolarHBondContact O-CD 3.47Å
181R93.8Very high94.3Very high42 Ų4234.2 Ų34.216%0.15818%0.183CC..EExtended strand (participates in β ladder)trans-144.2154-169-64179.6-174.5161.3-1.3111.9G175 L176 S178 F183 D206 Q208 P256 L306G175-R181 PolarHBondContact O-NH1 3.39Å; G175-R181 PolarHBondContact O-NH2 2.79Å; L176-R181 PolarHBondContact O-NH1 2.85Å; S178-R181 VanDerWaalsContact CB-CZ 3.48Å; S178-R181 PolarHBondContact OG-NH1 2.96Å; S178-R181 VanDerWaalsContact OG-NH1 3.1Å; R181-F183 HydrophobicContact CB-CE2 4.15Å; R181-D206 PolarHBondContact N-O 2.89Å; R181-Q208 PolarHBondContact O-N 2.78Å; R181-P256 WeakPolarHBondContact CA-O 3.41Å; R181-L306 HydrophobicContact CG-CD1 4.08Å; R181-L306 VanDerWaalsContact NE-CD1 3.34Å
182C95.3Very high94Very high2 Ų237.7 Ų37.71%0.01420%0.198CC..EExtended strand (participates in β ladder)trans-107.1119.8166.9-178.40000110.7Q208 L250 L255 P256 L257 V258C182-Q208 CarbonylContact C-O 3.57Å; C182-Q208 VanDerWaalsContact CA-O 3.24Å; C182-Q208 WeakPolarHBondContact CA-O 3.25Å; C182-Q208 HydrophobicContact CB-CB 3.85Å; C182-Q208 HydrophobicContact CB-CG 4.26Å; C182-Q208 VanDerWaalsContact SG-CG 3.54Å; C182-L250 HydrophobicContact CB-CD2 4.21Å; C182-L250 WeakPolarHBondContact SG-CD2 3.4Å; C182-L255 HydrophobicContact CB-CB 4.13Å; C182-P256 PolarHBondContact N-O 2.95Å; C182-L257 HydrophobicContact CB-CD2 3.69Å; C182-L257 CarbonylContact O-C 3.47Å; C182-L257 WeakPolarHBondContact O-CA 3.49Å; C182-V258 PolarHBondContact O-N 3.09Å
183F97.1Very high93.8Very high0 Ų032.6 Ų32.60%018%0.175CC..EExtended strand (participates in β ladder)trans-91.8125.6171.8-62.9-100.2000109.8L176 L177 R181 I197 L201 L207 Q208 L209 L210 V258 V260L176-F183 WeakPolarHBondContact O-CE1 3.5Å; L176-F183 VanDerWaalsContact O-CZ 3.26Å; L176-F183 WeakPolarHBondContact O-CZ 3.35Å; L177-F183 HydrophobicContact CD1-CE1 4.47Å; L177-F183 HydrophobicContact CD1-CZ 4.29Å; R181-F183 HydrophobicContact CB-CE2 4.15Å; F183-I197 HydrophobicContact CB-CD1 4.42Å; F183-I197 HydrophobicContact CD1-CD1 3.86Å; F183-I197 HydrophobicContact CD1-CG2 4.21Å; F183-I197 HydrophobicContact CD2-CG2 3.84Å; F183-I197 HydrophobicContact CE1-CD1 4.4Å; F183-I197 HydrophobicContact CE1-CG2 4.2Å; F183-I197 HydrophobicContact CE2-CG2 3.84Å; F183-I197 HydrophobicContact CG-CD1 4.21Å; F183-I197 HydrophobicContact CG-CG2 4.03Å; F183-I197 HydrophobicContact CZ-CG2 4.02Å; F183-L201 HydrophobicContact CE2-CD1 3.85Å; F183-L201 HydrophobicContact CZ-CD1 4.21Å; F183-L207 HydrophobicContact CD2-CD1 3.68Å; F183-L207 HydrophobicContact CE2-CD1 3.7Å; F183-Q208 PolarHBondContact N-O 3.41Å; F183-L209 HydrophobicContact CB-CD2 3.8Å; F183-L209 HydrophobicContact CD2-CD2 3.92Å; F183-L209 HydrophobicContact CG-CD2 4.15Å; F183-L210 PolarHBondContact O-N 3.26Å; F183-V258 CarbonylContact C-O 3.52Å; F183-V258 WeakPolarHBondContact CA-O 3.18Å; F183-V258 HydrophobicContact CD1-CB 3.76Å; F183-V258 HydrophobicContact CD1-CG1 3.87Å; F183-V258 HydrophobicContact CD1-CG2 4.48Å; F183-V258 HydrophobicContact CE1-CB 3.94Å; F183-V258 HydrophobicContact CE1-CG1 3.89Å; F183-V258 HydrophobicContact CE1-CG2 4.25Å; F183-V258 HydrophobicContact CG-CB 4.4Å; F183-V260 HydrophobicContact CD1-CG1 4.11Å
184V97.4Very high93.6Very high0 Ų028.9 Ų28.90%016%0.157CC..EExtended strand (participates in β ladder)trans-103102.3175.2-172.10000108.4F186 L210 V212 L244 V258 V260V184-F186 HydrophobicContact CB-CE2 4.11Å; V184-F186 HydrophobicContact CB-CZ 4.47Å; V184-F186 HydrophobicContact CG1-CD1 4.46Å; V184-F186 HydrophobicContact CG1-CD2 4.11Å; V184-F186 HydrophobicContact CG1-CE1 4.05Å; V184-F186 HydrophobicContact CG1-CE2 3.66Å; V184-F186 HydrophobicContact CG1-CZ 3.64Å; V184-F186 PolarHBondContact O-N 2.98Å; V184-L210 CarbonylContact C-O 3.44Å; V184-L210 WeakPolarHBondContact CA-O 3.49Å; V184-L210 HydrophobicContact CG1-CD2 4.32Å; V184-L210 HydrophobicContact CG2-CB 4.37Å; V184-L210 HydrophobicContact CG2-CD2 4.35Å; V184-V212 HydrophobicContact CG1-CG2 4.03Å; V184-L244 HydrophobicContact CG1-CD2 4.43Å; V184-V258 PolarHBondContact N-O 3.49Å; V184-V260 PolarHBondContact O-N 3.06Å
185E97.3Very high93.4Very high1 Ų128.4 Ų28.41%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-83102.2174.4-171.3-177.8179.400109.3A188 L193 S194 L210 V212 V260E185-A188 HydrophobicContact CB-CB 4.12Å; E185-A188 HydrophobicContact CG-CB 3.75Å; E185-L193 HydrophobicContact CG-CB 4.25Å; E185-L193 VanDerWaalsContact OE1-CB 3.23Å; E185-L193 WeakPolarHBondContact OE1-CB 3.36Å; E185-S194 WeakPolarHBondContact CB-OG 3.28Å; E185-S194 WeakPolarHBondContact OE2-CB 3.46Å; E185-S194 PolarHBondContact OE2-N 2.81Å; E185-S194 PolarHBondContact OE2-OG 2.99Å; E185-L210 PolarHBondContact N-O 2.96Å; E185-V212 PolarHBondContact O-N 3.21Å; E185-V260 WeakPolarHBondContact CA-O 3.19Å; E185-V260 HydrophobicContact CB-CG2 3.93Å; E185-V260 HydrophobicContact CG-CG2 4.28Å
186F96.6Very high93.3Very high3 Ų327.2 Ų27.21%0.01314%0.138CC..EExtended strand (participates in β ladder)trans-81133.3173.6-68.5-79.6000110.7V184 V212 I239 L244 V260 L264 A272 C275 L276V184-F186 HydrophobicContact CB-CE2 4.11Å; V184-F186 HydrophobicContact CB-CZ 4.47Å; V184-F186 HydrophobicContact CG1-CD1 4.46Å; V184-F186 HydrophobicContact CG1-CD2 4.11Å; V184-F186 HydrophobicContact CG1-CE1 4.05Å; V184-F186 HydrophobicContact CG1-CE2 3.66Å; V184-F186 HydrophobicContact CG1-CZ 3.64Å; V184-F186 PolarHBondContact O-N 2.98Å; F186-V212 HydrophobicContact CD1-CB 4.24Å; F186-V212 HydrophobicContact CD1-CG1 4.46Å; F186-V212 HydrophobicContact CD1-CG2 4.37Å; F186-V212 HydrophobicContact CE1-CG2 4.46Å; F186-I239 HydrophobicContact CB-CD1 4.05Å; F186-I239 HydrophobicContact CD1-CD1 3.84Å; F186-I239 HydrophobicContact CD1-CG1 4.07Å; F186-I239 HydrophobicContact CD1-CG2 4.11Å; F186-I239 HydrophobicContact CE1-CG2 4.16Å; F186-I239 HydrophobicContact CG-CD1 4.39Å; F186-L244 HydrophobicContact CZ-CD1 4.26Å; F186-V260 PolarHBondContact N-O 3.34Å; F186-L264 HydrophobicContact CB-CD1 4.04Å; F186-L264 HydrophobicContact CB-CD2 3.84Å; F186-A272 HydrophobicContact CB-CB 3.99Å; F186-A272 HydrophobicContact CD1-CB 3.76Å; F186-A272 HydrophobicContact CD2-CB 3.83Å; F186-A272 HydrophobicContact CE1-CB 4.12Å; F186-A272 HydrophobicContact CE2-CB 4.18Å; F186-A272 HydrophobicContact CG-CB 3.59Å; F186-A272 HydrophobicContact CZ-CB 4.3Å; F186-C275 HydrophobicContact CE1-CB 4.05Å; F186-C275 HydrophobicContact CZ-CB 4.2Å; F186-L276 HydrophobicContact CE2-CB 4.27Å; F186-L276 HydrophobicContact CE2-CD1 4.43Å; F186-L276 HydrophobicContact CZ-CB 4.32Å
187G93.7Very high93.2Very high29 Ų2927 Ų2730%0.29914%0.137SC..THydrogen-bonded Turntrans66.643.8-176.300000111.5G189 V212G187-G189 PolarHBondContact O-N 3.22Å; G187-G189 VanDerWaalsContact O-N 3.14Å; G187-V212 PolarHBondContact N-O 3Å
188A91.6Very high93Very high2 Ų228.3 Ų28.32%0.01714%0.142CC..  trans-64.1-23.9-167.300000114.1E185 R190 G191 L211 V212E185-A188 HydrophobicContact CB-CB 4.12Å; E185-A188 HydrophobicContact CG-CB 3.75Å; A188-R190 PolarHBondContact O-N 3.08Å; A188-G191 PolarHBondContact O-N 3.49Å; A188-L211 HydrophobicContact CB-CB 3.75Å; A188-L211 HydrophobicContact CB-CD2 4.05Å; A188-L211 HydrophobicContact CB-CG 4.17Å; A188-V212 PolarHBondContact N-O 3.42Å
189G89.1Confident93Very high17 Ų1730.2 Ų30.218%0.17514%0.143CC..THydrogen-bonded Turntrans48.8-113.1-175.300000111.3G187 G191 E213 T217 R234G187-G189 PolarHBondContact O-N 3.22Å; G187-G189 VanDerWaalsContact O-N 3.14Å; G189-G191 VanDerWaalsContact C-N 3.29Å; G189-G191 PolarHBondContact O-N 2.99Å; G189-E213 VanDerWaalsContact CA-OE2 3.23Å; G189-E213 WeakPolarHBondContact CA-OE2 3.29Å; G189-E213 PolarHBondContact N-OE2 3.43Å; G189-T217 PolarHBondContact O-OG1 2.56Å; G189-R234 PolarHBondContact O-NH1 2.61Å
190R86.3Confident93.1Very high137 Ų13725.2 Ų25.252%0.51713%0.13SC..THydrogen-bonded Turntrans-76.7-4.9179.2-57.9-172-170.6-175.84.4114.9A188 K192 V221A188-R190 PolarHBondContact O-N 3.08Å; R190-K192 HydrophobicContact CB-CG 4.48Å; R190-V221 WeakPolarHBondContact O-CG2 3.17Å
191G89Confident93.1Very high2 Ų224.8 Ų24.82%0.02112%0.122CC..THydrogen-bonded Turntrans72.827.3-179.700000114.6A188 G189 H195 L211A188-G191 PolarHBondContact O-N 3.49Å; G189-G191 VanDerWaalsContact C-N 3.29Å; G189-G191 PolarHBondContact O-N 2.99Å; G191-H195 WeakPolarHBondContact O-CB 3.44Å; G191-H195 PolarHBondContact O-N 3.42Å; G191-H195 VanDerWaalsContact O-N 3.09Å; G191-L211 VanDerWaalsContact CA-CD2 3.44Å
192K90.7Very high92.2Very high73 Ų7330 Ų3032%0.31715%0.148SC..Hα-helixtrans-71-29.3-177.3-74.7-165.9175.5-1680112.2R190 W196R190-K192 HydrophobicContact CB-CG 4.48Å; K192-W196 PolarHBondContact O-N 3.36Å
193L94.1Very high90.8Very high1 Ų134.1 Ų34.11%0.00517%0.169CC..Hα-helixtrans-73-50.8-178.5-170.857.9000109.9Q164 L167 L168 E185 H195 W196 I197 V260 K262Q164-L193 VanDerWaalsContact NE2-CB 3.31Å; L167-L193 HydrophobicContact CB-CD1 4.23Å; L167-L193 HydrophobicContact CD1-CD1 4.3Å; L167-L193 HydrophobicContact CD1-CD2 4.49Å; L168-L193 HydrophobicContact CD1-CD1 3.52Å; E185-L193 HydrophobicContact CG-CB 4.25Å; E185-L193 VanDerWaalsContact OE1-CB 3.23Å; E185-L193 WeakPolarHBondContact OE1-CB 3.36Å; L193-H195 PolarHBondContact O-N 3.45Å; L193-W196 PolarHBondContact O-N 2.86Å; L193-W196 VanDerWaalsContact O-N 3.07Å; L193-I197 HydrophobicContact CG-CD1 4.13Å; L193-I197 WeakPolarHBondContact O-CG1 3.45Å; L193-I197 PolarHBondContact O-N 3.2Å; L193-V260 HydrophobicContact CD2-CB 3.81Å; L193-V260 HydrophobicContact CD2-CG2 3.82Å; L193-V260 HydrophobicContact CG-CG2 4.4Å; L193-K262 HydrophobicContact CD2-CB 4.47Å
194S93.5Very high89.3Confident0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-56.2-37.7172.2-65.60000112.5E185 W196 I197 H198E185-S194 WeakPolarHBondContact CB-OG 3.28Å; E185-S194 WeakPolarHBondContact OE2-CB 3.46Å; E185-S194 PolarHBondContact OE2-N 2.81Å; E185-S194 PolarHBondContact OE2-OG 2.99Å; S194-W196 PolarHBondContact O-N 3.47Å; S194-I197 PolarHBondContact O-N 3.09Å; S194-H198 WeakPolarHBondContact O-CB 3.34Å; S194-H198 PolarHBondContact O-N 3.36Å
195H92.4Very high88Confident28 Ų2844.4 Ų44.413%0.1322%0.222CC..Hα-helixtrans-58.9-44.6174.8179.263.6000113G191 L193 H198 R199 V221 H225G191-H195 WeakPolarHBondContact O-CB 3.44Å; G191-H195 PolarHBondContact O-N 3.42Å; G191-H195 VanDerWaalsContact O-N 3.09Å; L193-H195 PolarHBondContact O-N 3.45Å; H195-H198 WeakPolarHBondContact O-CB 3.38Å; H195-H198 PolarHBondContact O-N 3.18Å; H195-R199 WeakPolarHBondContact NE2-CD 2.84Å; H195-R199 PolarHBondContact O-N 2.95Å; H195-V221 HydrophobicContact CB-CG1 4.38Å; H195-H225 AromaticContact ND1-CE1 3.72Å
196W94.2Very high87.2Confident11 Ų1149.2 Ų49.24%0.04225%0.247CC..Hα-helixtrans-71.7-37.1178.7-68.3123.8000112.3V143 L144 E147 L161 L168 K192 L193 S194 H198 R199 A200V143-W196 HydrophobicContact CG1-CE3 4.36Å; L144-W196 HydrophobicContact CD1-CB 4.16Å; L144-W196 HydrophobicContact CD1-CD2 4.05Å; L144-W196 HydrophobicContact CD1-CE3 4.21Å; L144-W196 HydrophobicContact CD1-CG 4Å; L144-W196 HydrophobicContact CD2-CD2 3.74Å; L144-W196 HydrophobicContact CD2-CE3 4.32Å; L144-W196 HydrophobicContact CD2-CG 3.94Å; L144-W196 HydrophobicContact CD2-CZ2 4.2Å; L144-W196 HydrophobicContact CG-CD2 3.7Å; L144-W196 HydrophobicContact CG-CE3 3.8Å; L144-W196 HydrophobicContact CG-CG 4.1Å; L144-W196 HydrophobicContact CG-CZ2 4.5Å; L144-W196 HydrophobicContact CG-CZ3 4.27Å; E147-W196 HydrophobicContact CB-CH2 4.34Å; E147-W196 HydrophobicContact CG-CH2 3.61Å; E147-W196 HydrophobicContact CG-CZ2 4.32Å; E147-W196 HydrophobicContact CG-CZ3 4.38Å; L161-W196 HydrophobicContact CD2-CZ2 3.87Å; L168-W196 HydrophobicContact CD1-CB 4.02Å; L168-W196 HydrophobicContact CD2-CB 3.74Å; K192-W196 PolarHBondContact O-N 3.36Å; L193-W196 PolarHBondContact O-N 2.86Å; L193-W196 VanDerWaalsContact O-N 3.07Å; S194-W196 PolarHBondContact O-N 3.47Å; W196-H198 VanDerWaalsContact C-N 3.32Å; W196-H198 PolarHBondContact O-N 3.41Å; W196-R199 HydrophobicContact CE3-CB 4.45Å; W196-R199 PolarHBondContact O-N 3.18Å; W196-A200 WeakPolarHBondContact O-CB 3.29Å; W196-A200 PolarHBondContact O-N 3.01Å
197I94.9Very high86.9Confident0 Ų049.1 Ų49.10%025%0.247CC..Hα-helixtrans-58.6-46.8172.7-67.8167.1000110.1L168 L171 L177 F183 L193 S194 R199 A200 L201 L209 V260L168-I197 HydrophobicContact CD1-CG1 4.22Å; L168-I197 HydrophobicContact CG-CG1 4.48Å; L171-I197 HydrophobicContact CD1-CD1 4.28Å; L177-I197 HydrophobicContact CD1-CB 4.4Å; L177-I197 HydrophobicContact CD1-CG1 4.19Å; L177-I197 HydrophobicContact CD1-CG2 3.95Å; F183-I197 HydrophobicContact CB-CD1 4.42Å; F183-I197 HydrophobicContact CD1-CD1 3.86Å; F183-I197 HydrophobicContact CD1-CG2 4.21Å; F183-I197 HydrophobicContact CD2-CG2 3.84Å; F183-I197 HydrophobicContact CE1-CD1 4.4Å; F183-I197 HydrophobicContact CE1-CG2 4.2Å; F183-I197 HydrophobicContact CE2-CG2 3.84Å; F183-I197 HydrophobicContact CG-CD1 4.21Å; F183-I197 HydrophobicContact CG-CG2 4.03Å; F183-I197 HydrophobicContact CZ-CG2 4.02Å; L193-I197 HydrophobicContact CG-CD1 4.13Å; L193-I197 WeakPolarHBondContact O-CG1 3.45Å; L193-I197 PolarHBondContact O-N 3.2Å; S194-I197 PolarHBondContact O-N 3.09Å; I197-R199 PolarHBondContact O-N 2.85Å; I197-A200 PolarHBondContact O-N 3.13Å; I197-L201 HydrophobicContact CG2-CD1 3.98Å; I197-L201 WeakPolarHBondContact O-CG 3.35Å; I197-L201 PolarHBondContact O-N 3.49Å; I197-L201 VanDerWaalsContact O-N 3.13Å; I197-L209 HydrophobicContact CB-CD2 4.39Å; I197-L209 HydrophobicContact CG2-CD2 3.87Å; I197-V260 HydrophobicContact CD1-CG1 4.48Å; I197-V260 HydrophobicContact CD1-CG2 4.18Å
198H92.4Very high86.9Confident44 Ų4448 Ų4820%0.20423%0.234CC..Hα-helixtrans-57.2-49.7175.4-177.8-112.4000112.2S194 H195 W196 A200 L201 Q202 L209 F232S194-H198 WeakPolarHBondContact O-CB 3.34Å; S194-H198 PolarHBondContact O-N 3.36Å; H195-H198 WeakPolarHBondContact O-CB 3.38Å; H195-H198 PolarHBondContact O-N 3.18Å; W196-H198 VanDerWaalsContact C-N 3.32Å; W196-H198 PolarHBondContact O-N 3.41Å; H198-A200 PolarHBondContact O-N 3.22Å; H198-L201 PolarHBondContact O-N 3.32Å; H198-Q202 PolarHBondContact O-N 3.27Å; H198-L209 HydrophobicContact CB-CD1 3.69Å; H198-F232 HydrophobicContact CB-CE2 3.82Å; H198-F232 HydrophobicContact CB-CZ 3.59Å; H198-F232 AromaticContact CD2-CE2 3.85Å; H198-F232 AromaticContact CG-CE2 3.61Å; H198-F232 AromaticContact CG-CZ 3.9Å
199R91.8Very high87Confident83 Ų8348 Ų4831%0.31323%0.234SC..Hα-helixtrans-62.6-31178.1-75.2-169.169.7168.41.2112.9V143 E147 H195 W196 I197 Q202V143-R199 HydrophobicContact CG2-CB 3.7Å; E147-R199 IonicContact OE1-NH1 3.31Å; H195-R199 WeakPolarHBondContact NE2-CD 2.84Å; H195-R199 PolarHBondContact O-N 2.95Å; W196-R199 HydrophobicContact CE3-CB 4.45Å; W196-R199 PolarHBondContact O-N 3.18Å; I197-R199 PolarHBondContact O-N 2.85Å; R199-Q202 WeakPolarHBondContact O-CG 2.97Å
200A93.2Very high87.2Confident27 Ų2747.1 Ų47.122%0.22323%0.225CC..Hα-helixtrans-72.9-35.8178.800000112.4V143 L168 L177 W196 I197 H198V143-A200 HydrophobicContact CB-CB 4.4Å; V143-A200 HydrophobicContact CG1-CB 4.24Å; V143-A200 HydrophobicContact CG2-CB 4.47Å; L168-A200 HydrophobicContact CD2-CB 4.17Å; L177-A200 HydrophobicContact CD2-CB 4.1Å; W196-A200 WeakPolarHBondContact O-CB 3.29Å; W196-A200 PolarHBondContact O-N 3.01Å; I197-A200 PolarHBondContact O-N 3.13Å; H198-A200 PolarHBondContact O-N 3.22Å
201L90.6Very high87.6Confident19 Ų1940.7 Ų40.710%0.09920%0.201CC..Hα-helixtrans-92.5-14.7-171.8-65.6178.2000115L177 R179 F183 I197 H198 N203 L207L177-L201 HydrophobicContact CD1-CD1 4.4Å; L177-L201 HydrophobicContact CD1-CD2 4.41Å; L177-L201 HydrophobicContact CD1-CG 4.32Å; L177-L201 HydrophobicContact CG-CD2 4.15Å; R179-L201 HydrophobicContact CG-CB 4.49Å; R179-L201 PolarHBondContact NE-O 3.06Å; R179-L201 PolarHBondContact NH2-O 3.37Å; F183-L201 HydrophobicContact CE2-CD1 3.85Å; F183-L201 HydrophobicContact CZ-CD1 4.21Å; I197-L201 HydrophobicContact CG2-CD1 3.98Å; I197-L201 WeakPolarHBondContact O-CG 3.35Å; I197-L201 PolarHBondContact O-N 3.49Å; I197-L201 VanDerWaalsContact O-N 3.13Å; H198-L201 PolarHBondContact O-N 3.32Å; L201-N203 PolarHBondContact O-N 3.35Å; L201-L207 HydrophobicContact CB-CD2 4.21Å; L201-L207 HydrophobicContact CD1-CD1 3.76Å; L201-L207 HydrophobicContact CD1-CD2 4.1Å
202Q74.8Confident87.9Confident151 Ų15140.6 Ų40.671%0.70620%0.2SC*.  trans3368.7170.2-57.5-171.63.800114.8R179 H198 R199R179-Q202 PolarHBondContact NH2-O 3.37Å; H198-Q202 PolarHBondContact O-N 3.27Å; R199-Q202 WeakPolarHBondContact O-CG 2.97Å
203N65.7Low88Confident88 Ų8838.8 Ų38.847%0.47119%0.193SC..  trans162.5118.8156.5-149.6-9.5000107L201L201-N203 PolarHBondContact O-N 3.35Å
204P65.1Low87.6Confident50 Ų5046.6 Ų46.633%0.32522%0.222SC..  trans-85.6-7.6-16331.2-35.3000116.4D206 L207 P231P204-D206 VanDerWaalsContact C-N 3.25Å; P204-D206 PolarHBondContact O-N 3.16Å; P204-D206 VanDerWaalsContact O-N 3.09Å; P204-L207 PolarHBondContact O-N 3.37Å; P204-L207 VanDerWaalsContact O-N 3.09Å; P204-P231 HydrophobicContact CB-CB 4.35Å; P204-P231 HydrophobicContact CB-CG 3.85Å
205E70.6Confident86.8Confident166 Ų16650.1 Ų50.178%0.77625%0.246SC*.THydrogen-bonded Turntrans-57.5-35-165.8-62.8-168.7166.100113.9
206D82Confident85.3Confident102 Ų10251.5 Ų51.555%0.54526%0.259SS..THydrogen-bonded Turntrans-117.227.2178.5-61.4-38.9000113.7G180 R181 P204G180-D206 WeakPolarHBondContact CA-O 3.42Å; G180-D206 PolarHBondContact N-O 3.22Å; R181-D206 PolarHBondContact N-O 2.89Å; P204-D206 VanDerWaalsContact C-N 3.25Å; P204-D206 PolarHBondContact O-N 3.16Å; P204-D206 VanDerWaalsContact O-N 3.09Å
207L90Very high83.4Confident1 Ų153.1 Ų53.11%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-117.2131.8178.6179.960.2000110.1F183 L201 P204 L209 P231F183-L207 HydrophobicContact CD2-CD1 3.68Å; F183-L207 HydrophobicContact CE2-CD1 3.7Å; L201-L207 HydrophobicContact CB-CD2 4.21Å; L201-L207 HydrophobicContact CD1-CD1 3.76Å; L201-L207 HydrophobicContact CD1-CD2 4.1Å; P204-L207 PolarHBondContact O-N 3.37Å; P204-L207 VanDerWaalsContact O-N 3.09Å; L207-L209 HydrophobicContact CD1-CD2 4.04Å; L207-L209 HydrophobicContact CD1-CG 4.37Å; L207-L209 HydrophobicContact CD2-CD1 4.26Å; L207-L209 HydrophobicContact CD2-CG 4.42Å; L207-L209 HydrophobicContact CG-CD2 4.35Å; L207-L209 HydrophobicContact CG-CG 4.17Å; L207-P231 HydrophobicContact CB-CB 4.47Å; L207-P231 HydrophobicContact CG-CB 4.41Å; L207-P231 WeakPolarHBondContact O-CB 3.15Å
208Q92.1Very high81.3Confident7 Ų763.8 Ų63.83%0.03331%0.31CS..EExtended strand (participates in β ladder)trans-124.2136.3168.2-176.36543.400109.7R181 C182 F183 P231 V249 K253 L255R181-Q208 PolarHBondContact O-N 2.78Å; C182-Q208 CarbonylContact C-O 3.57Å; C182-Q208 VanDerWaalsContact CA-O 3.24Å; C182-Q208 WeakPolarHBondContact CA-O 3.25Å; C182-Q208 HydrophobicContact CB-CB 3.85Å; C182-Q208 HydrophobicContact CB-CG 4.26Å; C182-Q208 VanDerWaalsContact SG-CG 3.54Å; F183-Q208 PolarHBondContact N-O 3.41Å; Q208-P231 PolarHBondContact NE2-O 3.34Å; Q208-V249 HydrophobicContact CG-CG1 4.5Å; Q208-V249 HydrophobicContact CG-CG2 4.22Å; Q208-K253 HydrophobicContact CB-CD 4.37Å; Q208-L255 HydrophobicContact CB-CD1 4.09Å
209L93.8Very high79.3Confident0 Ų069.8 Ų69.80%034%0.336CS..EExtended strand (participates in β ladder)trans-124.8106.6179.4-61.3171.2000107.7F183 I197 H198 L207 L211 P231 F232 E233F183-L209 HydrophobicContact CB-CD2 3.8Å; F183-L209 HydrophobicContact CD2-CD2 3.92Å; F183-L209 HydrophobicContact CG-CD2 4.15Å; I197-L209 HydrophobicContact CB-CD2 4.39Å; I197-L209 HydrophobicContact CG2-CD2 3.87Å; H198-L209 HydrophobicContact CB-CD1 3.69Å; L207-L209 HydrophobicContact CD1-CD2 4.04Å; L207-L209 HydrophobicContact CD1-CG 4.37Å; L207-L209 HydrophobicContact CD2-CD1 4.26Å; L207-L209 HydrophobicContact CD2-CG 4.42Å; L207-L209 HydrophobicContact CG-CD2 4.35Å; L207-L209 HydrophobicContact CG-CG 4.17Å; L209-L211 HydrophobicContact CB-CD1 4.36Å; L209-L211 WeakPolarHBondContact O-CD1 3.35Å; L209-P231 HydrophobicContact CD1-CG 4.5Å; L209-P231 PolarHBondContact N-O 3.37Å; L209-F232 HydrophobicContact CB-CD1 4.2Å; L209-F232 HydrophobicContact CB-CE1 4.46Å; L209-F232 HydrophobicContact CB-CG 4.29Å; L209-F232 HydrophobicContact CD1-CD1 4.16Å; L209-F232 HydrophobicContact CD1-CD2 3.89Å; L209-F232 HydrophobicContact CD1-CE1 3.71Å; L209-F232 HydrophobicContact CD1-CE2 3.48Å; L209-F232 VanDerWaalsContact CD1-CE2 3.48Å; L209-F232 HydrophobicContact CD1-CG 4.25Å; L209-F232 HydrophobicContact CD1-CZ 3.37Å; L209-F232 WeakPolarHBondContact O-CA 3.45Å; L209-E233 PolarHBondContact O-N 2.8Å
210L94.6Very high77.7Confident0 Ų070.2 Ų70.20%034%0.34CS..EExtended strand (participates in β ladder)trans-102.6116.5179-17069.1000109.8F183 V184 E185 E233 L235 L244 V247 V249 L250F183-L210 PolarHBondContact O-N 3.26Å; V184-L210 CarbonylContact C-O 3.44Å; V184-L210 WeakPolarHBondContact CA-O 3.49Å; V184-L210 HydrophobicContact CG1-CD2 4.32Å; V184-L210 HydrophobicContact CG2-CB 4.37Å; V184-L210 HydrophobicContact CG2-CD2 4.35Å; E185-L210 PolarHBondContact N-O 2.96Å; L210-E233 CarbonylContact C-O 3.54Å; L210-E233 WeakPolarHBondContact CA-O 3.42Å; L210-E233 HydrophobicContact CD1-CB 3.85Å; L210-E233 HydrophobicContact CD1-CG 3.86Å; L210-L235 HydrophobicContact CD1-CD1 3.92Å; L210-L235 HydrophobicContact CD1-CD2 3.98Å; L210-L235 HydrophobicContact CD1-CG 3.67Å; L210-L235 HydrophobicContact CD2-CD1 3.97Å; L210-L235 HydrophobicContact CG-CD1 4.18Å; L210-L235 HydrophobicContact CG-CG 4.22Å; L210-L244 HydrophobicContact CD2-CD2 4.09Å; L210-V247 HydrophobicContact CD1-CG1 4.33Å; L210-V247 HydrophobicContact CD2-CG1 4.27Å; L210-V249 HydrophobicContact CD1-CG1 4.36Å; L210-L250 HydrophobicContact CD2-CD1 3.76Å; L210-L250 HydrophobicContact CD2-CD2 4.12Å; L210-L250 HydrophobicContact CD2-CG 4.08Å
211L94.8Very high76Confident2 Ų270.3 Ų70.31%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-104.8113.9-176.4-65.888.7000109.4A188 G191 L209 F232 E233 R234 L235A188-L211 HydrophobicContact CB-CB 3.75Å; A188-L211 HydrophobicContact CB-CD2 4.05Å; A188-L211 HydrophobicContact CB-CG 4.17Å; G191-L211 VanDerWaalsContact CA-CD2 3.44Å; L209-L211 HydrophobicContact CB-CD1 4.36Å; L209-L211 WeakPolarHBondContact O-CD1 3.35Å; L211-F232 HydrophobicContact CD1-CB 4.39Å; L211-F232 HydrophobicContact CD1-CD1 3.68Å; L211-F232 HydrophobicContact CD1-CG 4.44Å; L211-E233 PolarHBondContact N-O 2.96Å; L211-R234 HydrophobicContact CB-CB 4.2Å; L211-R234 HydrophobicContact CB-CG 4.06Å; L211-R234 VanDerWaalsContact CD2-NH2 3.31Å; L211-R234 CarbonylContact O-C 3.52Å; L211-R234 WeakPolarHBondContact O-CA 3.32Å; L211-R234 WeakPolarHBondContact O-CG 3.43Å; L211-L235 PolarHBondContact O-N 3.27Å
212V94.8Very high74.5Confident0 Ų071.4 Ų71.40%034%0.344CS..EExtended strand (participates in β ladder)trans-102.6123.1-180-176.20000109.8V184 E185 F186 G187 A188 V237 I239 L242V184-V212 HydrophobicContact CG1-CG2 4.03Å; E185-V212 PolarHBondContact O-N 3.21Å; F186-V212 HydrophobicContact CD1-CB 4.24Å; F186-V212 HydrophobicContact CD1-CG1 4.46Å; F186-V212 HydrophobicContact CD1-CG2 4.37Å; F186-V212 HydrophobicContact CE1-CG2 4.46Å; G187-V212 PolarHBondContact N-O 3Å; A188-V212 PolarHBondContact N-O 3.42Å; V212-V237 HydrophobicContact CG1-CG1 4.26Å; V212-I239 HydrophobicContact CG1-CG1 3.91Å; V212-L242 HydrophobicContact CB-CD2 4.25Å; V212-L242 HydrophobicContact CG1-CD2 3.6Å; V212-L242 HydrophobicContact CG2-CD2 3.58Å
213E91.8Very high73.5Confident35 Ų3566.6 Ų66.616%0.16434%0.335CS..EExtended strand (participates in β ladder)trans-152.5134.3-178.6173.957.6-110.700111.7G189 C215 L235 R236 V237G189-E213 VanDerWaalsContact CA-OE2 3.23Å; G189-E213 WeakPolarHBondContact CA-OE2 3.29Å; G189-E213 PolarHBondContact N-OE2 3.43Å; E213-C215 WeakPolarHBondContact CG-O 3.49Å; E213-C215 PolarHBondContact OE1-N 3.26Å; E213-L235 PolarHBondContact N-O 3.37Å; E213-L235 VanDerWaalsContact N-O 3.08Å; E213-R236 CarbonylContact O-C 3.54Å; E213-R236 VanDerWaalsContact O-CA 3.26Å; E213-R236 WeakPolarHBondContact O-CA 3.36Å; E213-V237 CarbonylContact C-O 3.49Å; E213-V237 PolarHBondContact O-N 3.04Å; E213-V237 VanDerWaalsContact O-N 3.16Å
214R86.7Confident73Confident165 Ų16570.4 Ų70.462%0.62335%0.347SS*.SBendtrans-71.3-39.2178.3-174.9-176.3178.1158.6-9.1111.8D238R214-D238 WeakPolarHBondContact CD-OD2 3.42Å; R214-D238 HydrophobicContact CG-CB 4.29Å; R214-D238 IonicContact CZ-OD2 3.88Å; R214-D238 IonicContact NE-OD2 3.91Å; R214-D238 PolarHBondContact NE-OD2 3.49Å; R214-D238 IonicContact NH1-OD2 3.6Å; R214-D238 PolarHBondContact NH1-OD2 3.31Å
215C75.9Confident72.7Confident74 Ų7469.4 Ų69.450%0.534%0.338SS..SBendtrans-112.7143.8-169.3-75.30000114E213 T217E213-C215 WeakPolarHBondContact CG-O 3.49Å; E213-C215 PolarHBondContact OE1-N 3.26Å; C215-T217 PolarHBondContact O-N 3.42Å
216S60.9Low71.8Confident56 Ų5669.5 Ų69.539%0.39234%0.338SS..  trans-78.9104.1171.455.50000111R236S216-R236 PolarHBondContact OG-NH1 2.84Å
217T55.6Low70.4Confident45 Ų4566.9 Ų66.928%0.27634%0.335SS..  trans-77.3137.4169.7580000111G189 C215 K220G189-T217 PolarHBondContact O-OG1 2.56Å; C215-T217 PolarHBondContact O-N 3.42Å; T217-K220 WeakPolarHBondContact O-CE 3.42Å; T217-K220 WeakPolarHBondContact O-CG 3.38Å
218R49.3Very low68.5Low224 Ų22473.5 Ų73.585%0.84538%0.382SS*.SBendtrans-71.3146.7164.5-76.8-175.2-169.1-174.63.7109
219F52Low67.1Low171 Ų17177.3 Ų77.375%0.7542%0.415SS*.SBendtrans73.557.6-171.3-50.8-78.9000114.4
220K57.2Low66Low91 Ų9179.3 Ų79.340%0.39643%0.425SS..  trans-80.5131.8174.5-53.2-177.1178.2-176.10109.5T217 D222 G223T217-K220 WeakPolarHBondContact O-CE 3.42Å; T217-K220 WeakPolarHBondContact O-CG 3.38Å; K220-D222 HydrophobicContact CB-CB 3.78Å; K220-D222 HydrophobicContact CD-CB 4.43Å; K220-D222 VanDerWaalsContact CD-OD2 3.29Å; K220-D222 WeakPolarHBondContact CD-OD2 3.44Å; K220-D222 PolarHBondContact O-N 2.86Å; K220-D222 VanDerWaalsContact O-N 3.16Å; K220-G223 PolarHBondContact O-N 3.45Å
221V57.7Low65.5Low29 Ų2979.5 Ų79.518%0.17643%0.427CS..G310 helixtrans-64.7-13.1169.7-166.90000110.5R190 H195 G223 K224 H225R190-V221 WeakPolarHBondContact O-CG2 3.17Å; H195-V221 HydrophobicContact CB-CG1 4.38Å; V221-G223 PolarHBondContact O-N 3.19Å; V221-K224 HydrophobicContact CG1-CD 4.19Å; V221-K224 WeakPolarHBondContact O-CB 3.05Å; V221-K224 PolarHBondContact O-N 2.73Å; V221-H225 PolarHBondContact O-ND1 3Å
222D59Low65.2Low42 Ų4281.2 Ų81.223%0.22543%0.434CS..G310 helixtrans-48.7-30171-50.812.9000113.5K220 K224 H225 R234K220-D222 HydrophobicContact CB-CB 3.78Å; K220-D222 HydrophobicContact CD-CB 4.43Å; K220-D222 VanDerWaalsContact CD-OD2 3.29Å; K220-D222 WeakPolarHBondContact CD-OD2 3.44Å; K220-D222 PolarHBondContact O-N 2.86Å; K220-D222 VanDerWaalsContact O-N 3.16Å; D222-K224 PolarHBondContact O-N 3.02Å; D222-H225 CarbonylContact O-C 3.6Å; D222-H225 PolarHBondContact O-N 3Å; D222-R234 IonicContact OD1-CZ 3.66Å; D222-R234 IonicContact OD1-NE 4Å; D222-R234 PolarHBondContact OD1-NE 2.75Å; D222-R234 IonicContact OD1-NH2 2.84Å; D222-R234 PolarHBondContact OD1-NH2 3.43Å; D222-R234 WeakPolarHBondContact OD2-CD 3.23Å; D222-R234 IonicContact OD2-CZ 3.17Å; D222-R234 IonicContact OD2-NE 3.54Å; D222-R234 PolarHBondContact OD2-NE 3.27Å; D222-R234 IonicContact OD2-NH2 3.27Å
223G53.7Low65Low50 Ų5084 Ų8452%0.51545%0.447SS..G310 helixtrans-64.5-20.4176.200000114.4K220 V221 H225K220-G223 PolarHBondContact O-N 3.45Å; V221-G223 PolarHBondContact O-N 3.19Å; G223-H225 VanDerWaalsContact C-N 3.34Å
224K55.7Low65Low168 Ų16884.9 Ų84.973%0.7345%0.449SS*.G310 helixtrans-87.9-5174.3-60.3-173.3176.5-173.60112.8V221 D222V221-K224 HydrophobicContact CG1-CD 4.19Å; V221-K224 WeakPolarHBondContact O-CB 3.05Å; V221-K224 PolarHBondContact O-N 2.73Å; D222-K224 PolarHBondContact O-N 3.02Å
225H58.2Low65.2Low30 Ų3077.1 Ų77.114%0.13942%0.42CS..  trans-133.156.7-165.5-61.2104.3000112.2H195 V221 D222 G223 D230 F232H195-H225 AromaticContact ND1-CE1 3.72Å; V221-H225 PolarHBondContact O-ND1 3Å; D222-H225 CarbonylContact O-C 3.6Å; D222-H225 PolarHBondContact O-N 3Å; G223-H225 VanDerWaalsContact C-N 3.34Å; H225-D230 WeakPolarHBondContact CA-OD2 3.44Å; H225-D230 WeakPolarHBondContact CB-OD2 3.47Å; H225-D230 IonicContact CD2-OD1 3.8Å; H225-D230 IonicContact CD2-OD2 3.77Å; H225-D230 IonicContact CG-OD1 3.06Å; H225-D230 IonicContact CG-OD2 3.89Å; H225-F232 HydrophobicContact CB-CD2 4.45Å; H225-F232 AromaticContact CD2-CD2 3.81Å; H225-F232 AromaticContact CD2-CE2 3.52Å; H225-F232 AromaticContact CE1-CZ 3.97Å; H225-F232 AromaticContact NE2-CE2 3.59Å; H225-F232 AromaticContact NE2-CZ 3.72Å
226Q51.4Low66Low167 Ų16779.1 Ų79.178%0.7842%0.417SS*.  trans-105.613.1-170.4-63.9-172.4-1.600114.4
227G54.1Low67.4Low47 Ų4776.9 Ų76.949%0.48540%0.401SS..SBendtrans-82.6149.3176.500000112.5A229 D230G227-A229 PolarHBondContact O-N 3.06Å; G227-D230 WeakPolarHBondContact O-CB 3.37Å; G227-D230 PolarHBondContact O-N 3.1Å; G227-D230 VanDerWaalsContact O-N 3.15Å
228S49.7Very low69.3Low140 Ų14076 Ų7698%0.97939%0.394SS*.THydrogen-bonded Turntrans-67-13.8171.853.60000113.7
229A62Low71.5Confident88 Ų8865.9 Ų65.973%0.72736%0.357SS*.THydrogen-bonded Turntrans-98.18.117500000113.1G227G227-A229 PolarHBondContact O-N 3.06Å
230D71.9Confident73.6Confident41 Ų4159.4 Ų59.422%0.21933%0.329CS..  trans-76.5131-176-146.4-51.7000110.6H225 G227 F232H225-D230 WeakPolarHBondContact CA-OD2 3.44Å; H225-D230 WeakPolarHBondContact CB-OD2 3.47Å; H225-D230 IonicContact CD2-OD1 3.8Å; H225-D230 IonicContact CD2-OD2 3.77Å; H225-D230 IonicContact CG-OD1 3.06Å; H225-D230 IonicContact CG-OD2 3.89Å; G227-D230 WeakPolarHBondContact O-CB 3.37Å; G227-D230 PolarHBondContact O-N 3.1Å; G227-D230 VanDerWaalsContact O-N 3.15Å; D230-F232 PolarHBondContact O-N 3Å; D230-F232 WeakPolarHBondContact OD1-CD2 3.35Å
231P83.5Confident75.4Confident5 Ų556.4 Ų56.43%0.03232%0.316CS..SBendtrans-67.9-0.6-178.927.3-37.3000113.8P204 L207 Q208 L209P204-P231 HydrophobicContact CB-CB 4.35Å; P204-P231 HydrophobicContact CB-CG 3.85Å; L207-P231 HydrophobicContact CB-CB 4.47Å; L207-P231 HydrophobicContact CG-CB 4.41Å; L207-P231 WeakPolarHBondContact O-CB 3.15Å; Q208-P231 PolarHBondContact NE2-O 3.34Å; L209-P231 HydrophobicContact CD1-CG 4.5Å; L209-P231 PolarHBondContact N-O 3.37Å
232F88.8Confident77.3Confident37 Ų3755 Ų5516%0.16231%0.308CS..EExtended strand (participates in β ladder)trans-94.8123.3-174.4-70.2-109.5000112.6H198 L209 L211 H225 D230H198-F232 HydrophobicContact CB-CE2 3.82Å; H198-F232 HydrophobicContact CB-CZ 3.59Å; H198-F232 AromaticContact CD2-CE2 3.85Å; H198-F232 AromaticContact CG-CE2 3.61Å; H198-F232 AromaticContact CG-CZ 3.9Å; L209-F232 HydrophobicContact CB-CD1 4.2Å; L209-F232 HydrophobicContact CB-CE1 4.46Å; L209-F232 HydrophobicContact CB-CG 4.29Å; L209-F232 HydrophobicContact CD1-CD1 4.16Å; L209-F232 HydrophobicContact CD1-CD2 3.89Å; L209-F232 HydrophobicContact CD1-CE1 3.71Å; L209-F232 HydrophobicContact CD1-CE2 3.48Å; L209-F232 VanDerWaalsContact CD1-CE2 3.48Å; L209-F232 HydrophobicContact CD1-CG 4.25Å; L209-F232 HydrophobicContact CD1-CZ 3.37Å; L209-F232 WeakPolarHBondContact O-CA 3.45Å; L211-F232 HydrophobicContact CD1-CB 4.39Å; L211-F232 HydrophobicContact CD1-CD1 3.68Å; L211-F232 HydrophobicContact CD1-CG 4.44Å; H225-F232 HydrophobicContact CB-CD2 4.45Å; H225-F232 AromaticContact CD2-CD2 3.81Å; H225-F232 AromaticContact CD2-CE2 3.52Å; H225-F232 AromaticContact CE1-CZ 3.97Å; H225-F232 AromaticContact NE2-CE2 3.59Å; H225-F232 AromaticContact NE2-CZ 3.72Å; D230-F232 PolarHBondContact O-N 3Å; D230-F232 WeakPolarHBondContact OD1-CD2 3.35Å
233E90.7Very high79Confident58 Ų5853.5 Ų53.527%0.27130%0.3SS..EExtended strand (participates in β ladder)trans-123.4132.3167.5-176.8169.4153.300109.9L209 L210 L211 L235 V249L209-E233 PolarHBondContact O-N 2.8Å; L210-E233 CarbonylContact C-O 3.54Å; L210-E233 WeakPolarHBondContact CA-O 3.42Å; L210-E233 HydrophobicContact CD1-CB 3.85Å; L210-E233 HydrophobicContact CD1-CG 3.86Å; L211-E233 PolarHBondContact N-O 2.96Å; E233-L235 HydrophobicContact CG-CD2 4.14Å; E233-L235 WeakPolarHBondContact OE1-CD2 3.36Å; E233-V249 WeakPolarHBondContact OE2-CB 3.47Å; E233-V249 WeakPolarHBondContact OE2-CG1 3.35Å
234R90.9Very high81Confident54 Ų5451.1 Ų51.120%0.20428%0.275CS..EExtended strand (participates in β ladder)trans-116.3116.3179.8-175.1-177-69.7-83.32.8111.6G189 L211 D222G189-R234 PolarHBondContact O-NH1 2.61Å; L211-R234 HydrophobicContact CB-CB 4.2Å; L211-R234 HydrophobicContact CB-CG 4.06Å; L211-R234 VanDerWaalsContact CD2-NH2 3.31Å; L211-R234 CarbonylContact O-C 3.52Å; L211-R234 WeakPolarHBondContact O-CA 3.32Å; L211-R234 WeakPolarHBondContact O-CG 3.43Å; D222-R234 IonicContact OD1-CZ 3.66Å; D222-R234 IonicContact OD1-NE 4Å; D222-R234 PolarHBondContact OD1-NE 2.75Å; D222-R234 IonicContact OD1-NH2 2.84Å; D222-R234 PolarHBondContact OD1-NH2 3.43Å; D222-R234 WeakPolarHBondContact OD2-CD 3.23Å; D222-R234 IonicContact OD2-CZ 3.17Å; D222-R234 IonicContact OD2-NE 3.54Å; D222-R234 PolarHBondContact OD2-NE 3.27Å; D222-R234 IonicContact OD2-NH2 3.27Å
235L92Very high82.7Confident2 Ų244.8 Ų44.81%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-90.9117.3174.1-50.2-171.8000110.1Y89 L210 L211 E213 E233 V237 L242 V247Y89-L235 HydrophobicContact CD2-CD1 4.33Å; Y89-L235 HydrophobicContact CE1-CD2 3.83Å; Y89-L235 HydrophobicContact CE2-CB 4.22Å; Y89-L235 HydrophobicContact CE2-CD1 4.23Å; Y89-L235 HydrophobicContact CE2-CD2 4.34Å; Y89-L235 HydrophobicContact CE2-CG 4.5Å; L210-L235 HydrophobicContact CD1-CD1 3.92Å; L210-L235 HydrophobicContact CD1-CD2 3.98Å; L210-L235 HydrophobicContact CD1-CG 3.67Å; L210-L235 HydrophobicContact CD2-CD1 3.97Å; L210-L235 HydrophobicContact CG-CD1 4.18Å; L210-L235 HydrophobicContact CG-CG 4.22Å; L211-L235 PolarHBondContact O-N 3.27Å; E213-L235 PolarHBondContact N-O 3.37Å; E213-L235 VanDerWaalsContact N-O 3.08Å; E233-L235 HydrophobicContact CG-CD2 4.14Å; E233-L235 WeakPolarHBondContact OE1-CD2 3.36Å; L235-V237 HydrophobicContact CB-CG1 3.98Å; L235-V237 PolarHBondContact O-N 3.25Å; L235-L242 HydrophobicContact CD1-CD1 3.83Å; L235-L242 HydrophobicContact CD1-CD2 4.39Å; L235-V247 HydrophobicContact CD1-CG1 4.11Å; L235-V247 HydrophobicContact CD1-CG2 3.67Å
236R90.9Very high84.4Confident116 Ų11647.6 Ų47.644%0.43826%0.264SS..EExtended strand (participates in β ladder)trans-89.985.4171.5-170.9179.7174.6177.3-2.7110.5E213 S216E213-R236 CarbonylContact O-C 3.54Å; E213-R236 VanDerWaalsContact O-CA 3.26Å; E213-R236 WeakPolarHBondContact O-CA 3.36Å; S216-R236 PolarHBondContact OG-NH1 2.84Å
237V92.1Very high86.4Confident9 Ų939.6 Ų39.66%0.05523%0.227CC..SBendtrans-153.2149.8-175.564.10000109.8Y89 Y90 V212 E213 L235 H241 L242Y89-V237 HydrophobicContact CD2-CG1 4.38Å; Y89-V237 HydrophobicContact CE2-CB 4.14Å; Y89-V237 HydrophobicContact CE2-CG1 4Å; Y90-V237 HydrophobicContact CD2-CG2 4.04Å; V212-V237 HydrophobicContact CG1-CG1 4.26Å; E213-V237 CarbonylContact C-O 3.49Å; E213-V237 PolarHBondContact O-N 3.04Å; E213-V237 VanDerWaalsContact O-N 3.16Å; L235-V237 HydrophobicContact CB-CG1 3.98Å; L235-V237 PolarHBondContact O-N 3.25Å; V237-H241 HydrophobicContact CG2-CB 4.49Å; V237-L242 HydrophobicContact CG1-CB 4.06Å; V237-L242 HydrophobicContact CG1-CD1 4.04Å; V237-L242 HydrophobicContact CG1-CD2 4.2Å; V237-L242 HydrophobicContact CG1-CG 4.33Å
238D94.1Very high88.2Confident26 Ų2639.9 Ų39.914%0.13922%0.22CC..  trans-72.1134.5169.6-161.6-47.5000109.4R214 Q240 H241 L242R214-D238 WeakPolarHBondContact CD-OD2 3.42Å; R214-D238 HydrophobicContact CG-CB 4.29Å; R214-D238 IonicContact CZ-OD2 3.88Å; R214-D238 IonicContact NE-OD2 3.91Å; R214-D238 PolarHBondContact NE-OD2 3.49Å; R214-D238 IonicContact NH1-OD2 3.6Å; R214-D238 PolarHBondContact NH1-OD2 3.31Å; D238-Q240 PolarHBondContact O-N 2.94Å; D238-Q240 VanDerWaalsContact O-N 3.14Å; D238-Q240 WeakPolarHBondContact OD1-CB 3.39Å; D238-Q240 PolarHBondContact OD1-N 3.2Å; D238-H241 PolarHBondContact O-N 3.06Å; D238-L242 PolarHBondContact O-N 2.93Å
239I96.1Very high90.1Very high12 Ų1233.9 Ų33.96%0.06218%0.177CC..G310 helixtrans-56.2-32.7178.6-54.8172000110N95 F186 V212 H241 L242 L264 A268 L271 A272 C275N95-I239 PolarHBondContact ND2-O 3.29Å; F186-I239 HydrophobicContact CB-CD1 4.05Å; F186-I239 HydrophobicContact CD1-CD1 3.84Å; F186-I239 HydrophobicContact CD1-CG1 4.07Å; F186-I239 HydrophobicContact CD1-CG2 4.11Å; F186-I239 HydrophobicContact CE1-CG2 4.16Å; F186-I239 HydrophobicContact CG-CD1 4.39Å; V212-I239 HydrophobicContact CG1-CG1 3.91Å; I239-H241 PolarHBondContact O-N 3.26Å; I239-L242 PolarHBondContact O-N 3.38Å; I239-L264 HydrophobicContact CD1-CD1 3.96Å; I239-A268 HydrophobicContact CD1-CB 4.43Å; I239-L271 HydrophobicContact CB-CB 4.1Å; I239-L271 HydrophobicContact CB-CD1 4.5Å; I239-L271 HydrophobicContact CG2-CB 3.71Å; I239-A272 HydrophobicContact CD1-CB 4.45Å; I239-A272 HydrophobicContact CG2-CB 4.3Å; I239-C275 HydrophobicContact CG2-CB 3.98Å
240Q95.7Very high91.5Very high35 Ų3529.8 Ų29.816%0.16414%0.143CC..G310 helixtrans-52.4-26.9175.6-174.4176.5-3100113.7N93 I94 N95 A96 D238 L271N93-Q240 CarbonylContact C-O 3.52Å; N93-Q240 PolarHBondContact OD1-NE2 2.81Å; I94-Q240 PolarHBondContact N-O 3.21Å; N95-Q240 PolarHBondContact N-O 3.3Å; A96-Q240 HydrophobicContact CB-CG 3.9Å; D238-Q240 PolarHBondContact O-N 2.94Å; D238-Q240 VanDerWaalsContact O-N 3.14Å; D238-Q240 WeakPolarHBondContact OD1-CB 3.39Å; D238-Q240 PolarHBondContact OD1-N 3.2Å; Q240-L271 HydrophobicContact CB-CD1 4.06Å; Q240-L271 HydrophobicContact CB-CD2 4.31Å; Q240-L271 HydrophobicContact CG-CD2 4.47Å
241H95.7Very high92.3Very high28 Ų2834.5 Ų34.513%0.1316%0.158CC..G310 helixtrans-118.15.2-174-50.9-39.8000114.1Y90 V91 N93 V237 D238 I239Y90-H241 CarbonylContact C-O 3.37Å; Y90-H241 WeakPolarHBondContact CA-O 3.16Å; Y90-H241 HydrophobicContact CD2-CB 3.72Å; Y90-H241 HydrophobicContact CE1-CB 4.43Å; Y90-H241 HydrophobicContact CE2-CB 3.43Å; Y90-H241 VanDerWaalsContact CE2-CB 3.43Å; Y90-H241 AromaticContact CE2-CD2 3.45Å; Y90-H241 VanDerWaalsContact CE2-CD2 3.45Å; Y90-H241 WeakPolarHBondContact CE2-CD2 3.5Å; Y90-H241 AromaticContact CE2-CG 3.61Å; Y90-H241 HydrophobicContact CG-CB 4.34Å; Y90-H241 AromaticContact CZ-CD2 3.68Å; Y90-H241 AromaticContact CZ-CG 3.72Å; Y90-H241 PolarHBondContact OH-CD2 3.4Å; V91-H241 PolarHBondContact N-O 3.48Å; V91-H241 CarbonylContact O-C 3.48Å; V91-H241 WeakPolarHBondContact O-CA 3.5Å; N93-H241 PolarHBondContact N-ND1 2.92Å; N93-H241 PolarHBondContact OD1-CE1 3.31Å; V237-H241 HydrophobicContact CG2-CB 4.49Å; D238-H241 PolarHBondContact O-N 3.06Å; I239-H241 PolarHBondContact O-N 3.26Å
242L96.5Very high92.5Very high0 Ų041.8 Ų41.80%019%0.191CC..BIsolated β-bridgetrans-89.1124.2-175.5173.259.1000111.5Y89 N95 V212 L235 V237 D238 I239 L244 V247 C275Y89-L242 HydrophobicContact CD2-CD1 3.66Å; Y89-L242 HydrophobicContact CE2-CD1 4.48Å; Y89-L242 HydrophobicContact CG-CD1 4.17Å; N95-L242 PolarHBondContact ND2-O 2.93Å; V212-L242 HydrophobicContact CB-CD2 4.25Å; V212-L242 HydrophobicContact CG1-CD2 3.6Å; V212-L242 HydrophobicContact CG2-CD2 3.58Å; L235-L242 HydrophobicContact CD1-CD1 3.83Å; L235-L242 HydrophobicContact CD1-CD2 4.39Å; V237-L242 HydrophobicContact CG1-CB 4.06Å; V237-L242 HydrophobicContact CG1-CD1 4.04Å; V237-L242 HydrophobicContact CG1-CD2 4.2Å; V237-L242 HydrophobicContact CG1-CG 4.33Å; D238-L242 PolarHBondContact O-N 2.93Å; I239-L242 PolarHBondContact O-N 3.38Å; L242-L244 HydrophobicContact CD1-CD2 4.44Å; L242-L244 HydrophobicContact CD2-CD2 3.86Å; L242-L244 HydrophobicContact CG-CD2 4.13Å; L242-V247 HydrophobicContact CD1-CG2 4Å; L242-C275 PolarHBondContact O-SG 2.78Å
243D95.8Very high92.4Very high11 Ų1144.6 Ų44.66%0.05920%0.203CC..  trans-106.4107169-176.1-11.5000109.7Y89 V91 I94 S245 K246Y89-D243 PolarHBondContact O-N 2.87Å; V91-D243 HydrophobicContact CB-CB 4.39Å; V91-D243 HydrophobicContact CG2-CB 3.75Å; I94-D243 HydrophobicContact CD1-CB 3.94Å; D243-S245 VanDerWaalsContact CG-OG 3.28Å; D243-S245 PolarHBondContact O-N 3.43Å; D243-S245 VanDerWaalsContact OD1-CB 3.32Å; D243-S245 WeakPolarHBondContact OD1-CB 3.45Å; D243-S245 PolarHBondContact OD1-N 2.85Å; D243-S245 PolarHBondContact OD1-OG 3.27Å; D243-S245 PolarHBondContact OD2-OG 2.86Å; D243-K246 HydrophobicContact CB-CB 4.36Å; D243-K246 HydrophobicContact CB-CD 4.17Å; D243-K246 HydrophobicContact CB-CG 4.32Å; D243-K246 PolarHBondContact O-N 3.5Å; D243-K246 VanDerWaalsContact O-N 3.17Å; D243-K246 VanDerWaalsContact OD2-CD 3.31Å; D243-K246 WeakPolarHBondContact OD2-CD 3.17Å; D243-K246 WeakPolarHBondContact OD2-CE 3.12Å; D243-K246 WeakPolarHBondContact OD2-CG 3.45Å; D243-K246 IonicContact OD2-NZ 3.73Å
244L95.2Very high92.4Very high0 Ų044.1 Ų44.10%021%0.209CC..G310 helixtrans-64.1-29.4-178.6-67.8177.9000112.1V184 F186 L210 L242 K246 V247 L250 L276 T279 A280 T302V184-L244 HydrophobicContact CG1-CD2 4.43Å; F186-L244 HydrophobicContact CZ-CD1 4.26Å; L210-L244 HydrophobicContact CD2-CD2 4.09Å; L242-L244 HydrophobicContact CD1-CD2 4.44Å; L242-L244 HydrophobicContact CD2-CD2 3.86Å; L242-L244 HydrophobicContact CG-CD2 4.13Å; L244-K246 PolarHBondContact O-N 3.16Å; L244-K246 VanDerWaalsContact O-N 3.14Å; L244-V247 HydrophobicContact CD2-CG2 4.41Å; L244-V247 PolarHBondContact O-N 3.49Å; L244-V247 VanDerWaalsContact O-N 3.14Å; L244-L250 HydrophobicContact CB-CD1 4.02Å; L244-L250 HydrophobicContact CD2-CD1 3.93Å; L244-L250 HydrophobicContact CG-CD1 4.46Å; L244-L276 HydrophobicContact CD1-CD1 4.27Å; L244-T279 PolarHBondContact N-OG1 3.41Å; L244-T279 VanDerWaalsContact N-OG1 3.13Å; L244-A280 HydrophobicContact CB-CB 4.28Å; L244-A280 HydrophobicContact CD1-CB 4.14Å; L244-T302 WeakPolarHBondContact O-CG2 3.5Å
245S91.9Very high92.4Very high34 Ų3443 Ų4324%0.23821%0.207CC..G310 helixtrans-63.1-21.1178.176.80000113.1D243 R251 T279D243-S245 VanDerWaalsContact CG-OG 3.28Å; D243-S245 PolarHBondContact O-N 3.43Å; D243-S245 VanDerWaalsContact OD1-CB 3.32Å; D243-S245 WeakPolarHBondContact OD1-CB 3.45Å; D243-S245 PolarHBondContact OD1-N 2.85Å; D243-S245 PolarHBondContact OD1-OG 3.27Å; D243-S245 PolarHBondContact OD2-OG 2.86Å; S245-R251 WeakPolarHBondContact O-CD 3.49Å; S245-R251 VanDerWaalsContact O-CG 3.3Å; S245-R251 WeakPolarHBondContact O-CG 3.45Å; S245-T279 WeakPolarHBondContact CB-O 3.41Å
246K93.4Very high92.6Very high89 Ų8944.5 Ų44.539%0.38722%0.217SC..G310 helixtrans-99.6-0.2-178.6-68.3-177.7-174.9177.10113.5V88 V91 D243 L244 P248V88-K246 WeakPolarHBondContact O-CD 3.39Å; V91-K246 HydrophobicContact CG2-CD 3.95Å; D243-K246 HydrophobicContact CB-CB 4.36Å; D243-K246 HydrophobicContact CB-CD 4.17Å; D243-K246 HydrophobicContact CB-CG 4.32Å; D243-K246 PolarHBondContact O-N 3.5Å; D243-K246 VanDerWaalsContact O-N 3.17Å; D243-K246 VanDerWaalsContact OD2-CD 3.31Å; D243-K246 WeakPolarHBondContact OD2-CD 3.17Å; D243-K246 WeakPolarHBondContact OD2-CE 3.12Å; D243-K246 WeakPolarHBondContact OD2-CG 3.45Å; D243-K246 IonicContact OD2-NZ 3.73Å; L244-K246 PolarHBondContact O-N 3.16Å; L244-K246 VanDerWaalsContact O-N 3.14Å; K246-P248 WeakPolarHBondContact O-CD 3.37Å
247V93.8Very high92.8Very high0 Ų039 Ų390%020%0.197CC..  trans-77.5117.3177.6179.70000109.2Y89 L210 L235 L242 L244 V249 L250 R251Y89-V247 HydrophobicContact CD1-CG2 4.24Å; Y89-V247 HydrophobicContact CG-CG2 4Å; L210-V247 HydrophobicContact CD1-CG1 4.33Å; L210-V247 HydrophobicContact CD2-CG1 4.27Å; L235-V247 HydrophobicContact CD1-CG1 4.11Å; L235-V247 HydrophobicContact CD1-CG2 3.67Å; L242-V247 HydrophobicContact CD1-CG2 4Å; L244-V247 HydrophobicContact CD2-CG2 4.41Å; L244-V247 PolarHBondContact O-N 3.49Å; L244-V247 VanDerWaalsContact O-N 3.14Å; V247-V249 HydrophobicContact CG1-CG1 3.96Å; V247-V249 PolarHBondContact O-N 3.16Å; V247-L250 HydrophobicContact CB-CB 4.29Å; V247-L250 HydrophobicContact CB-CD1 4Å; V247-L250 HydrophobicContact CB-CG 3.96Å; V247-L250 HydrophobicContact CG1-CD1 4.31Å; V247-L250 HydrophobicContact CG1-CG 3.91Å; V247-L250 HydrophobicContact CG2-CD1 4.41Å; V247-L250 PolarHBondContact O-N 2.71Å; V247-L250 VanDerWaalsContact O-N 3.15Å; V247-R251 PolarHBondContact O-N 2.71Å
248P91.6Very high93.1Very high52 Ų5238.6 Ų38.634%0.33819%0.194SC..Hα-helixtrans-54.7-49.3-172.7-28.536.3000113.9V88 K246 L250 R251 E252V88-P248 HydrophobicContact CG2-CG 4.21Å; K246-P248 WeakPolarHBondContact O-CD 3.37Å; P248-L250 PolarHBondContact O-N 3.11Å; P248-R251 WeakPolarHBondContact O-CB 3.44Å; P248-R251 PolarHBondContact O-N 3.03Å; P248-E252 WeakPolarHBondContact O-CG 3.3Å; P248-E252 PolarHBondContact O-N 2.93Å
249V89.6Confident93.3Very high14 Ų1437.3 Ų37.39%0.08519%0.187CC..Hα-helixtrans-61.4-31.5-177.774.90000113.3Q208 L210 E233 V247 K253Q208-V249 HydrophobicContact CG-CG1 4.5Å; Q208-V249 HydrophobicContact CG-CG2 4.22Å; L210-V249 HydrophobicContact CD1-CG1 4.36Å; E233-V249 WeakPolarHBondContact OE2-CB 3.47Å; E233-V249 WeakPolarHBondContact OE2-CG1 3.35Å; V247-V249 HydrophobicContact CG1-CG1 3.96Å; V247-V249 PolarHBondContact O-N 3.16Å; V249-K253 HydrophobicContact CG2-CD 4.06Å; V249-K253 HydrophobicContact CG2-CG 4.32Å; V249-K253 WeakPolarHBondContact O-CB 3.41Å; V249-K253 PolarHBondContact O-N 2.86Å; V249-K253 VanDerWaalsContact O-N 3.09Å
250L91.3Very high93.4Very high3 Ų336.8 Ų36.82%0.01618%0.184CC..Hα-helixtrans-74.3-32.4178.8-60.9-171.8000111.7C182 L210 L244 V247 P248 A254 L257 T302C182-L250 HydrophobicContact CB-CD2 4.21Å; C182-L250 WeakPolarHBondContact SG-CD2 3.4Å; L210-L250 HydrophobicContact CD2-CD1 3.76Å; L210-L250 HydrophobicContact CD2-CD2 4.12Å; L210-L250 HydrophobicContact CD2-CG 4.08Å; L244-L250 HydrophobicContact CB-CD1 4.02Å; L244-L250 HydrophobicContact CD2-CD1 3.93Å; L244-L250 HydrophobicContact CG-CD1 4.46Å; V247-L250 HydrophobicContact CB-CB 4.29Å; V247-L250 HydrophobicContact CB-CD1 4Å; V247-L250 HydrophobicContact CB-CG 3.96Å; V247-L250 HydrophobicContact CG1-CD1 4.31Å; V247-L250 HydrophobicContact CG1-CG 3.91Å; V247-L250 HydrophobicContact CG2-CD1 4.41Å; V247-L250 PolarHBondContact O-N 2.71Å; V247-L250 VanDerWaalsContact O-N 3.15Å; P248-L250 PolarHBondContact O-N 3.11Å; L250-A254 VanDerWaalsContact O-CA 3.26Å; L250-A254 WeakPolarHBondContact O-CA 3.32Å; L250-A254 PolarHBondContact O-N 2.9Å; L250-L257 HydrophobicContact CD2-CD2 4.09Å; L250-T302 HydrophobicContact CB-CG2 3.69Å; L250-T302 HydrophobicContact CD1-CG2 4.24Å
251R88.1Confident93.4Very high140 Ų14035.1 Ų35.153%0.52818%0.177SC..Hα-helixtrans-75.4-42175.4-63.8179.467.3-177.5-3.3111.9S245 V247 P248S245-R251 WeakPolarHBondContact O-CD 3.49Å; S245-R251 VanDerWaalsContact O-CG 3.3Å; S245-R251 WeakPolarHBondContact O-CG 3.45Å; V247-R251 PolarHBondContact O-N 2.71Å; P248-R251 WeakPolarHBondContact O-CB 3.44Å; P248-R251 PolarHBondContact O-N 3.03Å
252E88.3Confident93.1Very high157 Ų15735.3 Ų35.373%0.73418%0.177SC*.Hα-helixtrans-67-46.7-178.2-72.8169.6-163.200111.6P248P248-E252 WeakPolarHBondContact O-CG 3.3Å; P248-E252 PolarHBondContact O-N 2.93Å
253K87.5Confident92.3Very high96 Ų9638 Ų3842%0.41719%0.19SC..Hα-helixtrans-86.3-27.6-178.5-61.2-169.9173.9-175.40113.4Q208 V249 L255Q208-K253 HydrophobicContact CB-CD 4.37Å; V249-K253 HydrophobicContact CG2-CD 4.06Å; V249-K253 HydrophobicContact CG2-CG 4.32Å; V249-K253 WeakPolarHBondContact O-CB 3.41Å; V249-K253 PolarHBondContact O-N 2.86Å; V249-K253 VanDerWaalsContact O-N 3.09Å; K253-L255 HydrophobicContact CB-CD1 4.32Å; K253-L255 HydrophobicContact CB-CG 4.01Å; K253-L255 HydrophobicContact CD-CD1 4.36Å; K253-L255 PolarHBondContact O-N 2.98Å
254A89.6Confident91.7Very high48 Ų4837.6 Ų37.640%0.39719%0.188SC..  trans47.528.1-178.300000114.8L250 G303L250-A254 VanDerWaalsContact O-CA 3.26Å; L250-A254 WeakPolarHBondContact O-CA 3.32Å; L250-A254 PolarHBondContact O-N 2.9Å; A254-G303 WeakPolarHBondContact O-CA 3.46Å
255L92.1Very high91.3Very high30 Ų3040.1 Ų40.116%0.15720%0.204CC..PPolyproline II helixtrans-67.8144-179.2-66.6175.6000110.3C182 Q208 K253 L257 G303C182-L255 HydrophobicContact CB-CB 4.13Å; Q208-L255 HydrophobicContact CB-CD1 4.09Å; K253-L255 HydrophobicContact CB-CD1 4.32Å; K253-L255 HydrophobicContact CB-CG 4.01Å; K253-L255 HydrophobicContact CD-CD1 4.36Å; K253-L255 PolarHBondContact O-N 2.98Å; L255-L257 WeakPolarHBondContact O-CD2 3.38Å; L255-L257 PolarHBondContact O-N 3.3Å; L255-G303 WeakPolarHBondContact O-CA 3.34Å
256P94.6Very high91Very high34 Ų3438.5 Ų38.522%0.22119%0.193CC..PPolyproline II helixtrans-52.6136.6170.1-23.330.3000112.2G180 R181 C182 P304 L306G180-P256 WeakPolarHBondContact O-CD 3.47Å; R181-P256 WeakPolarHBondContact CA-O 3.41Å; C182-P256 PolarHBondContact N-O 2.95Å; P256-P304 CarbonylContact C-O 3.47Å; P256-P304 VanDerWaalsContact CA-O 3.25Å; P256-P304 WeakPolarHBondContact CA-O 3.45Å; P256-P304 HydrophobicContact CB-CG 4.25Å; P256-P304 HydrophobicContact CG-CG 4.39Å; P256-L306 HydrophobicContact CB-CD1 3.47Å; P256-L306 VanDerWaalsContact CB-CD1 3.47Å; P256-L306 HydrophobicContact CB-CD2 3.92Å; P256-L306 HydrophobicContact CB-CG 3.49Å; P256-L306 VanDerWaalsContact CB-CG 3.49Å; P256-L306 HydrophobicContact CG-CD1 4.35Å
257L96.3Very high91Very high1 Ų134.8 Ų34.81%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-94.1142.7-172.5-55.7-174.7000112.1C182 L250 L255 L276 A280 P304 V305 L306C182-L257 HydrophobicContact CB-CD2 3.69Å; C182-L257 CarbonylContact O-C 3.47Å; C182-L257 WeakPolarHBondContact O-CA 3.49Å; L250-L257 HydrophobicContact CD2-CD2 4.09Å; L255-L257 WeakPolarHBondContact O-CD2 3.38Å; L255-L257 PolarHBondContact O-N 3.3Å; L257-L276 HydrophobicContact CB-CD1 4.38Å; L257-L276 HydrophobicContact CD1-CD1 4.38Å; L257-A280 HydrophobicContact CD1-CB 3.49Å; L257-A280 VanDerWaalsContact CD1-CB 3.49Å; L257-P304 PolarHBondContact N-O 3.38Å; L257-V305 HydrophobicContact CB-CG2 4.31Å; L257-V305 HydrophobicContact CD1-CG2 4.43Å; L257-L306 PolarHBondContact O-N 2.84Å
258V98Very high91.1Very high0 Ų036 Ų360%019%0.189CC..EExtended strand (participates in β ladder)trans-127.3117.4168.9-177.10000109L171 L176 C182 F183 V184 V260 L306 G307L171-V258 HydrophobicContact CD2-CG1 4.17Å; L176-V258 HydrophobicContact CB-CG1 4.13Å; L176-V258 HydrophobicContact CD1-CG1 4.25Å; L176-V258 HydrophobicContact CD2-CG1 4.44Å; L176-V258 HydrophobicContact CD2-CG2 4.23Å; C182-V258 PolarHBondContact O-N 3.09Å; F183-V258 CarbonylContact C-O 3.52Å; F183-V258 WeakPolarHBondContact CA-O 3.18Å; F183-V258 HydrophobicContact CD1-CB 3.76Å; F183-V258 HydrophobicContact CD1-CG1 3.87Å; F183-V258 HydrophobicContact CD1-CG2 4.48Å; F183-V258 HydrophobicContact CE1-CB 3.94Å; F183-V258 HydrophobicContact CE1-CG1 3.89Å; F183-V258 HydrophobicContact CE1-CG2 4.25Å; F183-V258 HydrophobicContact CG-CB 4.4Å; V184-V258 PolarHBondContact N-O 3.49Å; V258-V260 HydrophobicContact CG1-CG1 4.09Å; V258-L306 HydrophobicContact CG2-CB 4.37Å; V258-G307 WeakPolarHBondContact CA-O 3.4Å
259G98Very high91.3Very high0 Ų033.6 Ų33.60%017%0.173CC..EExtended strand (participates in β ladder)trans-81.8128.317700000111.7G307 L308 A309G259-G307 PolarHBondContact N-O 3.16Å; G259-L308 CarbonylContact O-C 3.26Å; G259-L308 WeakPolarHBondContact O-CA 3.1Å; G259-L308 WeakPolarHBondContact O-CB 3.35Å; G259-A309 PolarHBondContact O-N 3.01Å
260V98.3Very high91.6Very high0 Ų032.9 Ų32.90%017%0.169CC..EExtended strand (participates in β ladder)trans-133.5149.4178.4-58.60000112.3L171 F183 V184 E185 F186 L193 I197 V258 A309L171-V260 HydrophobicContact CD1-CG1 3.95Å; L171-V260 HydrophobicContact CD2-CG1 3.99Å; F183-V260 HydrophobicContact CD1-CG1 4.11Å; V184-V260 PolarHBondContact O-N 3.06Å; E185-V260 WeakPolarHBondContact CA-O 3.19Å; E185-V260 HydrophobicContact CB-CG2 3.93Å; E185-V260 HydrophobicContact CG-CG2 4.28Å; F186-V260 PolarHBondContact N-O 3.34Å; L193-V260 HydrophobicContact CD2-CB 3.81Å; L193-V260 HydrophobicContact CD2-CG2 3.82Å; L193-V260 HydrophobicContact CG-CG2 4.4Å; I197-V260 HydrophobicContact CD1-CG1 4.48Å; I197-V260 HydrophobicContact CD1-CG2 4.18Å; V258-V260 HydrophobicContact CG1-CG1 4.09Å; V260-A309 WeakPolarHBondContact CA-O 3.43Å
261G95.8Very high91.9Very high0 Ų033.2 Ų33.20%017%0.171CC..EExtended strand (participates in β ladder)trans-165.7136.9175.700000112A309 V310 A311G261-A309 PolarHBondContact N-O 3.11Å; G261-A309 VanDerWaalsContact N-O 3.15Å; G261-V310 CarbonylContact O-C 3.33Å; G261-V310 WeakPolarHBondContact O-CA 3.27Å; G261-A311 PolarHBondContact O-N 3.49Å
262K88.5Confident92.4Very high32 Ų3226.8 Ų26.814%0.13915%0.148CC..EExtended strand (participates in β ladder)trans-101.5-20-176.472.4174.9-170.6172.80115.5Q164 L167 L193 A311Q164-K262 VanDerWaalsContact OE1-CB 3.27Å; L167-K262 HydrophobicContact CD1-CB 3.55Å; L193-K262 HydrophobicContact CD2-CB 4.47Å; K262-A311 WeakPolarHBondContact O-CB 3.32Å
263H80.3Confident92.8Very high57 Ų5719.5 Ų19.526%0.26411%0.114SC..EExtended strand (participates in β ladder)trans-160.869.8177.8-74.6-61.5000108.5Q163 C265 C313Q163-H263 PolarHBondContact OE1-NE2 3.41Å; H263-C265 PolarHBondContact O-N 3.17Å; H263-C265 VanDerWaalsContact O-N 3.16Å; H263-C313 VanDerWaalsContact CA-SG 3.6Å
264L84.4Confident93.2Very high3 Ų316 Ų162%0.01610%0.098CC..EExtended strand (participates in β ladder)trans-88.486.5-177.7-164.260000109.4F186 I239 A268 T269 A272 V310F186-L264 HydrophobicContact CB-CD1 4.04Å; F186-L264 HydrophobicContact CB-CD2 3.84Å; I239-L264 HydrophobicContact CD1-CD1 3.96Å; L264-A268 HydrophobicContact CD1-CB 3.56Å; L264-A268 WeakPolarHBondContact CD2-O 3.25Å; L264-A268 HydrophobicContact CG-CB 3.76Å; L264-T269 PolarHBondContact O-OG1 2.87Å; L264-A272 HydrophobicContact CD2-CB 3.49Å; L264-A272 VanDerWaalsContact CD2-CB 3.49Å; L264-V310 HydrophobicContact CB-CG1 3.9Å; L264-V310 HydrophobicContact CD2-CG1 4.1Å
265C85.3Confident93.5Very high52 Ų5213.7 Ų13.735%0.3518%0.079SC..EExtended strand (participates in β ladder)trans-69.2133.6-165.3-57.20000113.9H263 A267 A268 C314H263-C265 PolarHBondContact O-N 3.17Å; H263-C265 VanDerWaalsContact O-N 3.16Å; C265-A267 PolarHBondContact O-N 2.89Å; C265-A268 VanDerWaalsContact O-CB 3.31Å; C265-A268 WeakPolarHBondContact O-CB 3.43Å; C265-A268 PolarHBondContact O-N 2.88Å; C265-C314 HydrophobicContact CB-CB 3.84Å
266G87.3Confident93.7Very high0 Ų012.4 Ų12.40%07%0.072CC..THydrogen-bonded Turntrans60.4-134.1168.300000112.7A268 T269 C313 C314G266-A268 PolarHBondContact O-N 3.39Å; G266-T269 PolarHBondContact O-N 3.33Å; G266-C313 PolarHBondContact N-O 3.47Å; G266-C314 WeakPolarHBondContact CA-O 3.31Å; G266-C314 PolarHBondContact N-O 3.48Å
267A92.6Very high93.6Very high12 Ų1211.5 Ų11.510%0.0997%0.065CC..Hα-helixtrans-53.2-27.4178.700000114C265 T269 D270 L271 R317 H322C265-A267 PolarHBondContact O-N 2.89Å; A267-T269 PolarHBondContact O-N 2.75Å; A267-T269 VanDerWaalsContact O-N 3.13Å; A267-D270 PolarHBondContact O-N 2.96Å; A267-L271 VanDerWaalsContact O-CG 3.29Å; A267-L271 WeakPolarHBondContact O-CG 3.38Å; A267-L271 PolarHBondContact O-N 3.39Å; A267-R317 PolarHBondContact N-O 3.15Å; A267-H322 HydrophobicContact CB-CB 3.68Å
268A94.9Very high93.1Very high24 Ų2414.3 Ų14.320%0.1988%0.081CC..Hα-helixtrans-57.6-31.9-176.600000113.1I239 L264 C265 G266 A272I239-A268 HydrophobicContact CD1-CB 4.43Å; L264-A268 HydrophobicContact CD1-CB 3.56Å; L264-A268 WeakPolarHBondContact CD2-O 3.25Å; L264-A268 HydrophobicContact CG-CB 3.76Å; C265-A268 VanDerWaalsContact O-CB 3.31Å; C265-A268 WeakPolarHBondContact O-CB 3.43Å; C265-A268 PolarHBondContact O-N 2.88Å; G266-A268 PolarHBondContact O-N 3.39Å; A268-A272 WeakPolarHBondContact O-CB 3.27Å; A268-A272 PolarHBondContact O-N 3.16Å
269T96.4Very high92Very high2 Ų214.8 Ų14.81%0.0128%0.084CC..Hα-helixtrans-62.4-50.5175.3-70.50000110.4L264 G266 A267 L271 A272 L273 L312L264-T269 PolarHBondContact O-OG1 2.87Å; G266-T269 PolarHBondContact O-N 3.33Å; A267-T269 PolarHBondContact O-N 2.75Å; A267-T269 VanDerWaalsContact O-N 3.13Å; T269-L271 PolarHBondContact O-N 3.42Å; T269-A272 PolarHBondContact O-N 3.46Å; T269-A272 VanDerWaalsContact O-N 3.17Å; T269-L273 HydrophobicContact CG2-CD1 4.35Å; T269-L273 WeakPolarHBondContact O-CG 3.44Å; T269-L273 PolarHBondContact O-N 3.35Å; T269-L312 HydrophobicContact CG2-CD2 3.84Å
270D97.2Very high90.2Very high0 Ų015.1 Ų15.10%09%0.086CC..Hα-helixtrans-68.2-36.5-177.6-52-84.7000112A267 R274 H322 Y323 V324 R409A267-D270 PolarHBondContact O-N 2.96Å; D270-R274 PolarHBondContact O-N 3.43Å; D270-H322 WeakPolarHBondContact CB-O 3.48Å; D270-Y323 VanDerWaalsContact OD1-CD2 3.29Å; D270-Y323 WeakPolarHBondContact OD1-CD2 3.31Å; D270-V324 HydrophobicContact CB-CG1 4.07Å; D270-V324 HydrophobicContact CB-CG2 4.42Å; D270-V324 WeakPolarHBondContact O-CG1 3.22Å; D270-V324 WeakPolarHBondContact OD1-CG2 3.46Å; D270-V324 PolarHBondContact OD1-N 3.47Å; D270-R409 IonicContact OD1-CZ 2.78Å; D270-R409 IonicContact OD1-NE 2.85Å; D270-R409 PolarHBondContact OD1-NE 3.18Å; D270-R409 IonicContact OD1-NH2 2.87Å; D270-R409 IonicContact OD2-CZ 2.72Å; D270-R409 IonicContact OD2-NE 2.98Å; D270-R409 IonicContact OD2-NH2 3.04Å; D270-R409 PolarHBondContact OD2-NH2 3.18Å
271L97.2Very high88Confident9 Ų917.4 Ų17.45%0.04711%0.11CC..Hα-helixtrans-60.7-43.1170.6-59.2176.6000111.2N95 I239 Q240 A267 T269 R274 C275 H322N95-L271 WeakPolarHBondContact O-CD2 3.24Å; I239-L271 HydrophobicContact CB-CB 4.1Å; I239-L271 HydrophobicContact CB-CD1 4.5Å; I239-L271 HydrophobicContact CG2-CB 3.71Å; Q240-L271 HydrophobicContact CB-CD1 4.06Å; Q240-L271 HydrophobicContact CB-CD2 4.31Å; Q240-L271 HydrophobicContact CG-CD2 4.47Å; A267-L271 VanDerWaalsContact O-CG 3.29Å; A267-L271 WeakPolarHBondContact O-CG 3.38Å; A267-L271 PolarHBondContact O-N 3.39Å; T269-L271 PolarHBondContact O-N 3.42Å; L271-R274 PolarHBondContact O-N 3.06Å; L271-C275 VanDerWaalsContact O-CB 3.23Å; L271-C275 WeakPolarHBondContact O-CB 3.23Å; L271-C275 PolarHBondContact O-N 3.16Å; L271-H322 HydrophobicContact CD2-CB 4.19Å
272A97.4Very high85.5Confident5 Ų520.8 Ų20.84%0.04114%0.138CC..Hα-helixtrans-71.3-36.8-178.800000112.8F186 I239 L264 A268 T269 R274 C275 L276F186-A272 HydrophobicContact CB-CB 3.99Å; F186-A272 HydrophobicContact CD1-CB 3.76Å; F186-A272 HydrophobicContact CD2-CB 3.83Å; F186-A272 HydrophobicContact CE1-CB 4.12Å; F186-A272 HydrophobicContact CE2-CB 4.18Å; F186-A272 HydrophobicContact CG-CB 3.59Å; F186-A272 HydrophobicContact CZ-CB 4.3Å; I239-A272 HydrophobicContact CD1-CB 4.45Å; I239-A272 HydrophobicContact CG2-CB 4.3Å; L264-A272 HydrophobicContact CD2-CB 3.49Å; L264-A272 VanDerWaalsContact CD2-CB 3.49Å; A268-A272 WeakPolarHBondContact O-CB 3.27Å; A268-A272 PolarHBondContact O-N 3.16Å; T269-A272 PolarHBondContact O-N 3.46Å; T269-A272 VanDerWaalsContact O-N 3.17Å; A272-R274 VanDerWaalsContact C-N 3.34Å; A272-C275 PolarHBondContact O-N 2.84Å; A272-L276 VanDerWaalsContact O-CB 3.27Å; A272-L276 WeakPolarHBondContact O-CB 3.41Å; A272-L276 PolarHBondContact O-N 3.01Å
273L96.9Very high83.1Confident5 Ų530.5 Ų30.53%0.02617%0.173CC..Hα-helixtrans-60.1-45174.1-69.8178.9000111T269 L277 L308 V324 R409 F412 L413 L437T269-L273 HydrophobicContact CG2-CD1 4.35Å; T269-L273 WeakPolarHBondContact O-CG 3.44Å; T269-L273 PolarHBondContact O-N 3.35Å; L273-L277 WeakPolarHBondContact O-CB 3.34Å; L273-L277 WeakPolarHBondContact O-CG 3.47Å; L273-L277 PolarHBondContact O-N 3.32Å; L273-L308 HydrophobicContact CD2-CD2 3.6Å; L273-V324 HydrophobicContact CB-CG1 4.41Å; L273-V324 HydrophobicContact CD1-CG2 3.89Å; L273-R409 HydrophobicContact CD1-CB 4.15Å; L273-R409 HydrophobicContact CD1-CG 4.24Å; L273-F412 HydrophobicContact CB-CD1 4.31Å; L273-F412 HydrophobicContact CB-CE1 3.93Å; L273-F412 HydrophobicContact CD1-CD1 4.47Å; L273-L413 HydrophobicContact CD2-CD2 4.23Å; L273-L437 HydrophobicContact CD1-CD2 4.38Å
274R95.9Very high81Confident21 Ų2133.2 Ų33.28%0.07920%0.196CC..Hα-helixtrans-68.4-43.3175.6-72.2-172-85.6107.8-4.2112.1N95 A96 G97 D270 L271 A272 L276 L277 D278 H322 V324 F412N95-R274 PolarHBondContact O-NH1 3.07Å; N95-R274 PolarHBondContact O-NH2 2.78Å; A96-R274 PolarHBondContact O-NH2 3.28Å; G97-R274 VanDerWaalsContact CA-NH1 3.34Å; D270-R274 PolarHBondContact O-N 3.43Å; L271-R274 PolarHBondContact O-N 3.06Å; A272-R274 VanDerWaalsContact C-N 3.34Å; R274-L276 VanDerWaalsContact C-N 3.33Å; R274-L276 PolarHBondContact O-N 3.2Å; R274-L277 PolarHBondContact O-N 2.98Å; R274-D278 WeakPolarHBondContact CG-OD2 3.45Å; R274-D278 WeakPolarHBondContact O-CA 3.43Å; R274-D278 VanDerWaalsContact O-CB 3.26Å; R274-D278 WeakPolarHBondContact O-CB 3.32Å; R274-D278 PolarHBondContact O-N 3.02Å; R274-H322 VanDerWaalsContact NH2-C 3.29Å; R274-H322 VanDerWaalsContact NH2-CA 3.34Å; R274-H322 PolarHBondContact NH2-O 3.35Å; R274-V324 HydrophobicContact CG-CG1 3.58Å; R274-F412 HydrophobicContact CG-CE1 4.45Å; R274-F412 HydrophobicContact CG-CE2 4.25Å; R274-F412 HydrophobicContact CG-CZ 3.74Å
275C96.3Very high78.8Confident0 Ų039.7 Ų39.70%023%0.231CC..Iπ-helixtrans-54.5-50.3174.3-172.50000111.3N95 F186 I239 L242 L271 A272 T279N95-C275 WeakPolarHBondContact ND2-CB 3.26Å; N95-C275 VanDerWaalsContact OD1-CA 3.3Å; N95-C275 WeakPolarHBondContact OD1-CA 3.36Å; N95-C275 PolarHBondContact OD1-N 3.13Å; F186-C275 HydrophobicContact CE1-CB 4.05Å; F186-C275 HydrophobicContact CZ-CB 4.2Å; I239-C275 HydrophobicContact CG2-CB 3.98Å; L242-C275 PolarHBondContact O-SG 2.78Å; L271-C275 VanDerWaalsContact O-CB 3.23Å; L271-C275 WeakPolarHBondContact O-CB 3.23Å; L271-C275 PolarHBondContact O-N 3.16Å; A272-C275 PolarHBondContact O-N 2.84Å; C275-T279 WeakPolarHBondContact O-CB 3.06Å; C275-T279 PolarHBondContact O-N 2.92Å; C275-T279 PolarHBondContact O-OG1 3.47Å
276L95.6Very high76.4Confident3 Ų344 Ų442%0.01626%0.256CS..Iπ-helixtrans-68.5-41.3-177.6-171.665.7000112.9F186 L244 L257 A272 R274 A280 V305 L308F186-L276 HydrophobicContact CE2-CB 4.27Å; F186-L276 HydrophobicContact CE2-CD1 4.43Å; F186-L276 HydrophobicContact CZ-CB 4.32Å; L244-L276 HydrophobicContact CD1-CD1 4.27Å; L257-L276 HydrophobicContact CB-CD1 4.38Å; L257-L276 HydrophobicContact CD1-CD1 4.38Å; A272-L276 VanDerWaalsContact O-CB 3.27Å; A272-L276 WeakPolarHBondContact O-CB 3.41Å; A272-L276 PolarHBondContact O-N 3.01Å; R274-L276 VanDerWaalsContact C-N 3.33Å; R274-L276 PolarHBondContact O-N 3.2Å; L276-A280 WeakPolarHBondContact O-CB 3.37Å; L276-V305 HydrophobicContact CD1-CG1 4.31Å; L276-V305 HydrophobicContact CD1-CG2 4.08Å; L276-V305 HydrophobicContact CD2-CG1 3.91Å; L276-V305 HydrophobicContact CG-CG1 3.94Å; L276-V305 HydrophobicContact CG-CG2 4.05Å; L276-V305 WeakPolarHBondContact O-CG2 3.36Å; L276-L308 HydrophobicContact CD2-CB 4.14Å; L276-L308 HydrophobicContact CD2-CD2 4.11Å
277L92.4Very high73.7Confident15 Ų1551.5 Ų51.58%0.07929%0.291CS..Iπ-helixtrans-99-31.5-169-58.7-177.6000114.4L273 R274 V305 F412 L413 R416 F418L273-L277 WeakPolarHBondContact O-CB 3.34Å; L273-L277 WeakPolarHBondContact O-CG 3.47Å; L273-L277 PolarHBondContact O-N 3.32Å; R274-L277 PolarHBondContact O-N 2.98Å; L277-V305 HydrophobicContact CD2-CB 4.32Å; L277-V305 HydrophobicContact CD2-CG1 3.99Å; L277-V305 HydrophobicContact CD2-CG2 4.33Å; L277-F412 HydrophobicContact CD1-CE1 4.05Å; L277-L413 HydrophobicContact CD1-CD2 3.6Å; L277-R416 HydrophobicContact CD1-CB 4.37Å; L277-F418 HydrophobicContact CD1-CD2 4.47Å; L277-F418 HydrophobicContact CD1-CE2 4.48Å; L277-F418 HydrophobicContact CD2-CD2 4.37Å; L277-F418 HydrophobicContact CD2-CE1 4.44Å; L277-F418 HydrophobicContact CD2-CE2 3.65Å; L277-F418 HydrophobicContact CD2-CZ 3.71Å
278D86.5Confident70.8Confident61 Ų6156.9 Ų56.933%0.32633%0.325SS..Iπ-helixtrans-90.6-34.2-179.8-63.9-38.1000112R274 R416R274-D278 WeakPolarHBondContact CG-OD2 3.45Å; R274-D278 WeakPolarHBondContact O-CA 3.43Å; R274-D278 VanDerWaalsContact O-CB 3.26Å; R274-D278 WeakPolarHBondContact O-CB 3.32Å; R274-D278 PolarHBondContact O-N 3.02Å; D278-R416 IonicContact OD1-CZ 3.08Å; D278-R416 IonicContact OD1-NH1 2.65Å; D278-R416 PolarHBondContact OD1-NH1 3.39Å; D278-R416 IonicContact OD1-NH2 2.76Å; D278-R416 PolarHBondContact OD1-NH2 2.93Å; D278-R416 IonicContact OD2-NH2 3.81Å
279T74.2Confident67.9Low10 Ų1063.4 Ų63.46%0.06136%0.355CS..Iπ-helixtrans-93.4-35.9-177.780.70000113.2I94 L244 S245 C275 G281I94-T279 HydrophobicContact CD1-CG2 3.94Å; I94-T279 HydrophobicContact CG1-CG2 4.31Å; L244-T279 PolarHBondContact N-OG1 3.41Å; L244-T279 VanDerWaalsContact N-OG1 3.13Å; S245-T279 WeakPolarHBondContact CB-O 3.41Å; C275-T279 WeakPolarHBondContact O-CB 3.06Å; C275-T279 PolarHBondContact O-N 2.92Å; C275-T279 PolarHBondContact O-OG1 3.47Å; T279-G281 VanDerWaalsContact C-N 3.32Å
280A60.4Low64.8Low6 Ų669 Ų695%0.0539%0.392CS..THydrogen-bonded Turntrans-82.7-12178.100000113.7L244 L257 L276 T302 V305L244-A280 HydrophobicContact CB-CB 4.28Å; L244-A280 HydrophobicContact CD1-CB 4.14Å; L257-A280 HydrophobicContact CD1-CB 3.49Å; L257-A280 VanDerWaalsContact CD1-CB 3.49Å; L276-A280 WeakPolarHBondContact O-CB 3.37Å; A280-T302 VanDerWaalsContact C-OG1 3.31Å; A280-T302 WeakPolarHBondContact CA-OG1 3.49Å; A280-T302 WeakPolarHBondContact CB-OG1 3.39Å; A280-T302 PolarHBondContact O-OG1 2.89Å; A280-V305 HydrophobicContact CB-CG2 4.27Å
281G52Low61.8Low48 Ų4878.6 Ų78.650%0.49543%0.434SS..THydrogen-bonded Turntrans-106.120.2-170.900000115.5T279 R283T279-G281 VanDerWaalsContact C-N 3.32Å; G281-R283 VanDerWaalsContact C-N 3.35Å; G281-R283 PolarHBondContact O-N 2.96Å
282A43.2Very low58.9Low72 Ų7289 Ų8960%0.59547%0.472SS*.  trans-55.791.6-175.200000113.3
283R38.4Very low56.2Low235 Ų23596.1 Ų96.189%0.88751%0.509SS*.  trans-118.192.4143.1-77.9-171.5170.1-176.4-2.3107.2G281 D285G281-R283 VanDerWaalsContact C-N 3.35Å; G281-R283 PolarHBondContact O-N 2.96Å; R283-D285 PolarHBondContact O-N 3.29Å
284P36.9Very low53.1Low114 Ų114107.6 Ų107.674%0.7455%0.552SS**  trans-79.295.6163.830.6-26000107.5
285D37.5Very low50Low140 Ų140109.4 Ų109.475%0.74958%0.577SS**  trans-121.367.3163.9-124.62.7000108.8R283R283-D285 PolarHBondContact O-N 3.29Å
286T35.6Very low47Very low142 Ų142115.7 Ų115.787%0.87162%0.617SS**  trans-10459.9154.420.30000108.2
287Q30.5Very low44.1Very low158 Ų158124 Ų12474%0.73866%0.656SS**SBendtrans-140.7141151.8-73.6-156.510.400109.4L289Q287-L289 PolarHBondContact O-N 2.92Å
288P32.6Very low41.4Very low124 Ų124129.2 Ų129.281%0.80569%0.691SS**  trans-67.4130177.827.5-31.3000110.3
289L33.4Very low39.5Very low161 Ų161129.6 Ų129.684%0.84371%0.709SS**  trans-20.3117.2172.4-70.5155.4000115.5Q287Q287-L289 PolarHBondContact O-N 2.92Å
290P32Very low38.3Very low121 Ų121134.5 Ų134.579%0.78674%0.744SS**  trans-81124.6151.52.615.2000108.9R292P290-R292 PolarHBondContact O-N 3.32Å
291K32.8Very low38.4Very low200 Ų200136.2 Ų136.287%0.8776%0.762SS**  trans-57.1122.4171.3-75.1173.1176172.60110.4
292R36.2Very low39.5Very low227 Ų227134.7 Ų134.786%0.85774%0.743SS**SBendtrans77.1134155.7-61.9-176.9177.6-136.6-0.8118.9P290P290-R292 PolarHBondContact O-N 3.32Å
293L41.3Very low41.3Very low156 Ų156131.4 Ų131.482%0.81772%0.717SS**  trans74.489.5148.3-76.8147.8000118.5
294R31.6Very low43.8Very low246 Ų246124.4 Ų124.493%0.92870%0.702SS**  -165.9145.9117.8-103.6170.5-172.6-161.31.8109.5
295G31.9Very low46.6Very low58 Ų58119.8 Ų119.860%0.59867%0.671SS**PPolyproline II helixtrans-63170.4-172.500000114.1E297G295-E297 PolarHBondContact O-N 3.44Å
296P33.3Very low49.4Very low132 Ų132115.5 Ų115.586%0.85765%0.648SS**PPolyproline II helixtrans-64.1118178.326.7-32.2000110.4
297E33.3Very low52.3Low177 Ų177108.8 Ų108.883%0.82761%0.607SS**PPolyproline II helixtrans-65.9130.1165.2-70.1-75.6138.800108.9G295G295-E297 PolarHBondContact O-N 3.44Å
298P37.2Very low55.5Low126 Ų126101.3 Ų101.382%0.81857%0.572SS**SBendtrans-76.7127.8174.30.115.2000111.1
299G46.5Very low58.6Low68 Ų6895.4 Ų95.470%0.70153%0.534SS*.  trans10738.6148.700000120.9
300S48Very low61.7Low113 Ų11388.1 Ų88.179%0.7950%0.496SS*.  trans-112.4-0.9-179.2-174.90000117.1
301G62.7Low64.7Low42 Ų4282.4 Ų82.443%0.43346%0.459SS..SBendtrans-131.5155.6-172.500000113.9
302T74.7Confident67.7Low16 Ų1672.9 Ų72.910%0.09842%0.418CS..PPolyproline II helixtrans-68.7161.7162.746.90000110.5L244 L250 A280L244-T302 WeakPolarHBondContact O-CG2 3.5Å; L250-T302 HydrophobicContact CB-CG2 3.69Å; L250-T302 HydrophobicContact CD1-CG2 4.24Å; A280-T302 VanDerWaalsContact C-OG1 3.31Å; A280-T302 WeakPolarHBondContact CA-OG1 3.49Å; A280-T302 WeakPolarHBondContact CB-OG1 3.39Å; A280-T302 PolarHBondContact O-OG1 2.89Å
303G82Confident70.3Confident4 Ų462.2 Ų62.24%0.04138%0.378CS..PPolyproline II helixtrans-61.2159.5174.700000112.6A254 L255A254-G303 WeakPolarHBondContact O-CA 3.46Å; L255-G303 WeakPolarHBondContact O-CA 3.34Å
304P91Very high72.7Confident87 Ų8756 Ų5657%0.56535%0.347SS*.PPolyproline II helixtrans-63.6147.1-178.928.5-35.5000111P256 L257 L306P256-P304 CarbonylContact C-O 3.47Å; P256-P304 VanDerWaalsContact CA-O 3.25Å; P256-P304 WeakPolarHBondContact CA-O 3.45Å; P256-P304 HydrophobicContact CB-CG 4.25Å; P256-P304 HydrophobicContact CG-CG 4.39Å; L257-P304 PolarHBondContact N-O 3.38Å; P304-L306 PolarHBondContact O-N 3.4Å
305V95.1Very high75.7Confident17 Ų1744.4 Ų44.410%0.10330%0.303CS..EExtended strand (participates in β ladder)trans-78.1113.7174.2-179.40000109.1L257 L276 L277 A280 F418 P441L257-V305 HydrophobicContact CB-CG2 4.31Å; L257-V305 HydrophobicContact CD1-CG2 4.43Å; L276-V305 HydrophobicContact CD1-CG1 4.31Å; L276-V305 HydrophobicContact CD1-CG2 4.08Å; L276-V305 HydrophobicContact CD2-CG1 3.91Å; L276-V305 HydrophobicContact CG-CG1 3.94Å; L276-V305 HydrophobicContact CG-CG2 4.05Å; L276-V305 WeakPolarHBondContact O-CG2 3.36Å; L277-V305 HydrophobicContact CD2-CB 4.32Å; L277-V305 HydrophobicContact CD2-CG1 3.99Å; L277-V305 HydrophobicContact CD2-CG2 4.33Å; A280-V305 HydrophobicContact CB-CG2 4.27Å; V305-F418 HydrophobicContact CB-CZ 4.06Å; V305-F418 HydrophobicContact CG1-CE1 4.08Å; V305-F418 HydrophobicContact CG1-CZ 3.96Å; V305-P441 WeakPolarHBondContact O-CG 3.23Å
306L96.1Very high78.5Confident51 Ų5145.4 Ų45.427%0.26729%0.292SS..EExtended strand (participates in β ladder)trans-82-20.7179-61.9-174.4000113.2L176 R181 P256 L257 V258 P304 L440 P441L176-L306 HydrophobicContact CD2-CB 4.01Å; R181-L306 HydrophobicContact CG-CD1 4.08Å; R181-L306 VanDerWaalsContact NE-CD1 3.34Å; P256-L306 HydrophobicContact CB-CD1 3.47Å; P256-L306 VanDerWaalsContact CB-CD1 3.47Å; P256-L306 HydrophobicContact CB-CD2 3.92Å; P256-L306 HydrophobicContact CB-CG 3.49Å; P256-L306 VanDerWaalsContact CB-CG 3.49Å; P256-L306 HydrophobicContact CG-CD1 4.35Å; L257-L306 PolarHBondContact O-N 2.84Å; V258-L306 HydrophobicContact CG2-CB 4.37Å; P304-L306 PolarHBondContact O-N 3.4Å; L306-L440 WeakPolarHBondContact O-CD2 3.47Å; L306-P441 WeakPolarHBondContact O-CD 3.41Å
307G96.9Very high81.2Confident0 Ų046.5 Ų46.50%028%0.279CS..EExtended strand (participates in β ladder)trans157-176.8178.500000113.3V258 G259 A439V258-G307 WeakPolarHBondContact CA-O 3.4Å; G259-G307 PolarHBondContact N-O 3.16Å; G307-A439 CarbonylContact C-O 3.58Å; G307-A439 WeakPolarHBondContact CA-O 3.36Å
308L97.9Very high84.1Confident1 Ų138.6 Ų38.61%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-146.3156.3176.765.989.9000112.8G259 L273 L276 V310 L413 L437 T438 A439G259-L308 CarbonylContact O-C 3.26Å; G259-L308 WeakPolarHBondContact O-CA 3.1Å; G259-L308 WeakPolarHBondContact O-CB 3.35Å; L273-L308 HydrophobicContact CD2-CD2 3.6Å; L276-L308 HydrophobicContact CD2-CB 4.14Å; L276-L308 HydrophobicContact CD2-CD2 4.11Å; L308-V310 HydrophobicContact CD1-CG2 4.15Å; L308-L413 HydrophobicContact CD2-CD2 3.85Å; L308-L437 HydrophobicContact CD1-CG 4.2Å; L308-T438 VanDerWaalsContact O-CA 3.3Å; L308-T438 WeakPolarHBondContact O-CA 3.34Å; L308-A439 HydrophobicContact CD1-CB 4.26Å; L308-A439 HydrophobicContact CD2-CB 4.23Å; L308-A439 HydrophobicContact CG-CB 3.89Å; L308-A439 PolarHBondContact N-O 3.44Å; L308-A439 PolarHBondContact O-N 3.23Å
309A97.8Very high86.7Confident1 Ų137.9 Ų37.91%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-140.7107.5168.400000109.6L171 G259 V260 G261 L436 L437 T438L171-A309 HydrophobicContact CD2-CB 3.68Å; L171-A309 HydrophobicContact CG-CB 4.21Å; G259-A309 PolarHBondContact O-N 3.01Å; V260-A309 WeakPolarHBondContact CA-O 3.43Å; G261-A309 PolarHBondContact N-O 3.11Å; G261-A309 VanDerWaalsContact N-O 3.15Å; A309-L436 HydrophobicContact CB-CD1 4.22Å; A309-L437 WeakPolarHBondContact CA-O 3.45Å; A309-T438 HydrophobicContact CB-CG2 4.43Å
310V97.3Very high89Confident7 Ų735.7 Ų35.74%0.04220%0.2CC..EExtended strand (participates in β ladder)trans-127.3116.5-176-179.60000110.5G261 L264 L308 L312 L436 L437G261-V310 CarbonylContact O-C 3.33Å; G261-V310 WeakPolarHBondContact O-CA 3.27Å; L264-V310 HydrophobicContact CB-CG1 3.9Å; L264-V310 HydrophobicContact CD2-CG1 4.1Å; L308-V310 HydrophobicContact CD1-CG2 4.15Å; V310-L312 PolarHBondContact O-N 2.87Å; V310-L436 VanDerWaalsContact C-CD1 3.41Å; V310-L437 PolarHBondContact N-O 3.41Å; V310-L437 PolarHBondContact O-N 3.24Å
311A96Very high91.2Very high1 Ų134.4 Ų34.41%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-71.6122.117200000109.9L167 G261 K262 Y425 L436L167-A311 HydrophobicContact CD2-CB 4.38Å; G261-A311 PolarHBondContact O-N 3.49Å; K262-A311 WeakPolarHBondContact O-CB 3.32Å; A311-Y425 HydrophobicContact CB-CE1 3.95Å; A311-L436 HydrophobicContact CB-CD1 4.42Å
312L94.6Very high92.7Very high1 Ų133 Ų331%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-87135.1-172.9-55.8173.7000109.8T269 V310 D406 L422 V435 L437T269-L312 HydrophobicContact CG2-CD2 3.84Å; V310-L312 PolarHBondContact O-N 2.87Å; L312-D406 HydrophobicContact CD1-CB 4.08Å; L312-D406 VanDerWaalsContact CD1-OD1 3.27Å; L312-D406 WeakPolarHBondContact CD1-OD1 3.41Å; L312-D406 WeakPolarHBondContact CD1-OD2 3.35Å; L312-L422 HydrophobicContact CD1-CD2 3.63Å; L312-V435 HydrophobicContact CD1-CG1 3.97Å; L312-V435 PolarHBondContact N-O 3.43Å; L312-L437 HydrophobicContact CD1-CB 3.8Å; L312-L437 HydrophobicContact CD2-CB 3.81Å; L312-L437 HydrophobicContact CD2-CD2 4.2Å; L312-L437 HydrophobicContact CG-CB 3.91Å
313C91.3Very high93.7Very high3 Ų332.4 Ų32.42%0.0216%0.156CC..EExtended strand (participates in β ladder)trans-158.4165.2176.166.10000112.5H263 G266 H315 E433H263-C313 VanDerWaalsContact CA-SG 3.6Å; G266-C313 PolarHBondContact N-O 3.47Å; C313-H315 PolarHBondContact O-N 3.23Å; C313-E433 HydrophobicContact CB-CB 3.86Å; C313-E433 HydrophobicContact CB-CG 3.86Å
314C91.2Very high94.4Very high25 Ų2533 Ų3317%0.16916%0.159CC..  trans57.643.2174.5-60.60000113.9C265 G266 H316 R317C265-C314 HydrophobicContact CB-CB 3.84Å; G266-C314 WeakPolarHBondContact CA-O 3.31Å; G266-C314 PolarHBondContact N-O 3.48Å; C314-H316 PolarHBondContact O-N 2.96Å; C314-H316 VanDerWaalsContact O-N 3.08Å; C314-R317 HydrophobicContact CB-CG 4.28Å; C314-R317 PolarHBondContact O-N 2.93Å
315H94.5Very high94.7Very high3 Ų329 Ų291%0.01413%0.133CC..G310 helixtrans-52.8-29.5175.1-62.472.1000113.3C313 R317 C318 C343 S346 K402 I405 D406C313-H315 PolarHBondContact O-N 3.23Å; H315-R317 PolarHBondContact O-N 2.92Å; H315-R317 VanDerWaalsContact O-N 3.11Å; H315-C318 WeakPolarHBondContact O-CB 3.28Å; H315-C318 PolarHBondContact O-N 3.33Å; H315-C318 PolarHBondContact O-SG 3.06Å; H315-C343 PolarHBondContact O-SG 2.92Å; H315-C343 VanDerWaalsContact O-SG 3.4Å; H315-S346 WeakPolarHBondContact CB-OG 3.2Å; H315-K402 HydrophobicContact CB-CG 4.45Å; H315-I405 HydrophobicContact CB-CD1 4.13Å; H315-D406 IonicContact CD2-OD1 2.72Å; H315-D406 IonicContact CD2-OD2 2.7Å; H315-D406 IonicContact CE1-OD1 3.65Å; H315-D406 IonicContact CE1-OD2 3.87Å; H315-D406 IonicContact NE2-OD1 2.64Å; H315-D406 PolarHBondContact NE2-OD1 3.25Å; H315-D406 IonicContact NE2-OD2 2.8Å; H315-D406 PolarHBondContact NE2-OD2 3.4Å
316H90.5Very high94.7Very high78 Ų7829.3 Ų29.336%0.36113%0.133SC..G310 helixtrans-60.3-13.9172.272-86000115.8C314 C343 S346C314-H316 PolarHBondContact O-N 2.96Å; C314-H316 VanDerWaalsContact O-N 3.08Å; H316-C343 WeakPolarHBondContact CA-O 3.39Å; H316-C343 WeakPolarHBondContact CB-O 3.47Å; H316-C343 PolarHBondContact N-O 3.08Å; H316-S346 PolarHBondContact N-OG 3.23Å
317R90.9Very high94.7Very high156 Ų15632.6 Ų32.659%0.58915%0.147SC*.G310 helixtrans-106.211.7175.4-54.7-173.2176.6-166.9-8.5112.9A267 C314 H315A267-R317 PolarHBondContact N-O 3.15Å; C314-R317 HydrophobicContact CB-CG 4.28Å; C314-R317 PolarHBondContact O-N 2.93Å; H315-R317 PolarHBondContact O-N 2.92Å; H315-R317 VanDerWaalsContact O-N 3.11Å
318C93.3Very high94.7Very high11 Ų1133 Ų337%0.07415%0.149CC..  trans-75.3146.2172.1-560000109.1H315 F339 R409H315-C318 WeakPolarHBondContact O-CB 3.28Å; H315-C318 PolarHBondContact O-N 3.33Å; H315-C318 PolarHBondContact O-SG 3.06Å; C318-F339 HydrophobicContact CB-CE1 4.13Å; C318-F339 HydrophobicContact CB-CZ 3.72Å; C318-R409 PolarHBondContact SG-NH2 3.49Å; C318-R409 VanDerWaalsContact SG-NH2 3.37Å
319E92.4Very high94.6Very high111 Ų11133 Ų3352%0.51915%0.149SC..  trans-122.9138179.5-68.4175.7-143.800108.2R321 H322 Y323E319-R321 VanDerWaalsContact C-N 3.29Å; E319-R321 PolarHBondContact O-N 3.49Å; E319-H322 PolarHBondContact O-N 3.4Å; E319-H322 IonicContact OE2-CD2 3.44Å; E319-H322 IonicContact OE2-NE2 3.85Å; E319-Y323 PolarHBondContact O-N 3.28Å
320W94.6Very high94.6Very high22 Ų2237 Ų378%0.08317%0.17CC..G310 helixtrans-54.1-46.9-174.8177.2-104.7000111.9D100 H322 Y323 Q326 F329 L330 P336 F339D100-W320 PolarHBondContact OD2-NE1 3.25Å; W320-H322 PolarHBondContact O-N 3.25Å; W320-H322 VanDerWaalsContact O-N 3.1Å; W320-Y323 HydrophobicContact CE3-CD1 4.33Å; W320-Y323 HydrophobicContact CZ3-CD1 4.18Å; W320-Y323 WeakPolarHBondContact O-CB 3.5Å; W320-Y323 PolarHBondContact O-N 3.08Å; W320-Q326 HydrophobicContact CD2-CG 4.09Å; W320-Q326 HydrophobicContact CE3-CG 4.28Å; W320-Q326 HydrophobicContact CH2-CB 3.87Å; W320-Q326 HydrophobicContact CH2-CG 3.98Å; W320-Q326 HydrophobicContact CZ2-CB 3.73Å; W320-Q326 HydrophobicContact CZ2-CG 3.69Å; W320-Q326 HydrophobicContact CZ3-CB 4.48Å; W320-Q326 HydrophobicContact CZ3-CG 4.24Å; W320-Q326 PolarHBondContact O-NE2 3.19Å; W320-F329 HydrophobicContact CH2-CB 3.78Å; W320-F329 HydrophobicContact CZ3-CB 3.84Å; W320-F329 HydrophobicContact CZ3-CD1 4.18Å; W320-F329 HydrophobicContact CZ3-CG 4.07Å; W320-L330 HydrophobicContact CH2-CG 4.47Å; W320-L330 HydrophobicContact CZ2-CG 4.45Å; W320-P336 HydrophobicContact CB-CB 4.26Å; W320-P336 HydrophobicContact CD2-CB 4.04Å; W320-P336 HydrophobicContact CD2-CG 4.04Å; W320-P336 HydrophobicContact CG-CB 3.78Å; W320-P336 HydrophobicContact CG-CG 4.03Å; W320-P336 HydrophobicContact CZ2-CG 4.23Å; W320-F339 HydrophobicContact CB-CD1 4.05Å; W320-F339 HydrophobicContact CB-CE1 4.43Å; W320-F339 HydrophobicContact CE3-CB 3.53Å; W320-F339 AromaticContact CE3-CD1 3.82Å; W320-F339 HydrophobicContact CE3-CD1 3.82Å; W320-F339 AromaticContact CE3-CD2 3.89Å; W320-F339 HydrophobicContact CE3-CD2 3.89Å; W320-F339 AromaticContact CE3-CG 3.46Å; W320-F339 HydrophobicContact CE3-CG 3.46Å; W320-F339 VanDerWaalsContact CE3-CG 3.46Å; W320-F339 HydrophobicContact CZ3-CB 3.79Å; W320-F339 HydrophobicContact CZ3-CD2 4.05Å; W320-F339 AromaticContact CZ3-CG 3.95Å; W320-F339 HydrophobicContact CZ3-CG 3.95Å
321R93.8Very high94.5Very high86 Ų8643.8 Ų43.833%0.32520%0.201SC..G310 helixtrans-48.3-41176.5178.6-178177.9174.71.5112.8E319E319-R321 VanDerWaalsContact C-N 3.29Å; E319-R321 PolarHBondContact O-N 3.49Å
322H94.9Very high94.5Very high13 Ų1348.2 Ų48.26%0.0622%0.217CC..G310 helixtrans-92-16.9-174.1-60.3-37000113A96 A267 D270 L271 R274 E319 W320 V324A96-H322 PolarHBondContact O-ND1 3.19Å; A267-H322 HydrophobicContact CB-CB 3.68Å; D270-H322 WeakPolarHBondContact CB-O 3.48Å; L271-H322 HydrophobicContact CD2-CB 4.19Å; R274-H322 VanDerWaalsContact NH2-C 3.29Å; R274-H322 VanDerWaalsContact NH2-CA 3.34Å; R274-H322 PolarHBondContact NH2-O 3.35Å; E319-H322 PolarHBondContact O-N 3.4Å; E319-H322 IonicContact OE2-CD2 3.44Å; E319-H322 IonicContact OE2-NE2 3.85Å; W320-H322 PolarHBondContact O-N 3.25Å; W320-H322 VanDerWaalsContact O-N 3.1Å; H322-V324 PolarHBondContact O-N 2.87Å
323Y96.8Very high94.6Very high2 Ų251.2 Ų51.21%0.00825%0.249CC..  trans-66134.2-175.6-176.4-126.2000112D270 E319 W320 G325 Q326 F329 F339 I405 G408 R409D270-Y323 VanDerWaalsContact OD1-CD2 3.29Å; D270-Y323 WeakPolarHBondContact OD1-CD2 3.31Å; E319-Y323 PolarHBondContact O-N 3.28Å; W320-Y323 HydrophobicContact CE3-CD1 4.33Å; W320-Y323 HydrophobicContact CZ3-CD1 4.18Å; W320-Y323 WeakPolarHBondContact O-CB 3.5Å; W320-Y323 PolarHBondContact O-N 3.08Å; Y323-G325 VanDerWaalsContact CE1-O 3.32Å; Y323-G325 WeakPolarHBondContact CE1-O 3.5Å; Y323-Q326 HydrophobicContact CD1-CG 4.43Å; Y323-Q326 WeakPolarHBondContact O-CG 3.26Å; Y323-F329 AromaticContact CE1-CD2 3.5Å; Y323-F329 HydrophobicContact CE1-CD2 3.5Å; Y323-F329 VanDerWaalsContact CE1-CD2 3.5Å; Y323-F329 AromaticContact CE1-CE2 3.62Å; Y323-F329 HydrophobicContact CE1-CE2 3.62Å; Y323-F329 HydrophobicContact CE1-CG 4.27Å; Y323-F329 HydrophobicContact CE1-CZ 4.46Å; Y323-F329 AromaticContact CZ-CE2 3.81Å; Y323-F329 VanDerWaalsContact OH-CE2 3.31Å; Y323-F329 WeakPolarHBondContact OH-CE2 3.33Å; Y323-F339 AromaticContact CD1-CD2 3.84Å; Y323-F339 HydrophobicContact CD1-CD2 3.84Å; Y323-F339 AromaticContact CD1-CE2 3.34Å; Y323-F339 HydrophobicContact CD1-CE2 3.34Å; Y323-F339 AromaticContact CD1-CZ 3.94Å; Y323-F339 HydrophobicContact CD1-CZ 3.94Å; Y323-F339 AromaticContact CD2-CE2 3.7Å; Y323-F339 HydrophobicContact CD2-CE2 3.7Å; Y323-F339 AromaticContact CD2-CZ 3.85Å; Y323-F339 HydrophobicContact CD2-CZ 3.85Å; Y323-F339 HydrophobicContact CE1-CD2 4Å; Y323-F339 AromaticContact CE1-CE2 3.61Å; Y323-F339 HydrophobicContact CE1-CE2 3.61Å; Y323-F339 AromaticContact CE2-CE2 3.97Å; Y323-F339 HydrophobicContact CE2-CE2 3.97Å; Y323-F339 HydrophobicContact CG-CD2 4.29Å; Y323-F339 AromaticContact CG-CE2 3.38Å; Y323-F339 HydrophobicContact CG-CE2 3.38Å; Y323-F339 AromaticContact CG-CZ 3.54Å; Y323-F339 HydrophobicContact CG-CZ 3.54Å; Y323-F339 AromaticContact CZ-CE2 3.92Å; Y323-I405 HydrophobicContact CD2-CG2 4.46Å; Y323-I405 HydrophobicContact CE2-CG2 3.73Å; Y323-I405 WeakPolarHBondContact CE2-O 3.46Å; Y323-I405 WeakPolarHBondContact OH-CA 3.35Å; Y323-I405 PolarHBondContact OH-O 2.89Å; Y323-G408 VanDerWaalsContact OH-CA 3.25Å; Y323-G408 WeakPolarHBondContact OH-CA 3.38Å; Y323-R409 HydrophobicContact CE2-CG 4.17Å
324V96.3Very high94.8Very high17 Ų1751.4 Ų51.410%0.10325%0.25CC..THydrogen-bonded Turntrans-81.8-23.6179.7-73.60000113.5D270 L273 R274 H322 Q326 R409 F412D270-V324 HydrophobicContact CB-CG1 4.07Å; D270-V324 HydrophobicContact CB-CG2 4.42Å; D270-V324 WeakPolarHBondContact O-CG1 3.22Å; D270-V324 WeakPolarHBondContact OD1-CG2 3.46Å; D270-V324 PolarHBondContact OD1-N 3.47Å; L273-V324 HydrophobicContact CB-CG1 4.41Å; L273-V324 HydrophobicContact CD1-CG2 3.89Å; R274-V324 HydrophobicContact CG-CG1 3.58Å; H322-V324 PolarHBondContact O-N 2.87Å; V324-Q326 VanDerWaalsContact C-N 3.28Å; V324-Q326 PolarHBondContact O-N 3.04Å; V324-R409 HydrophobicContact CG2-CB 4.34Å; V324-R409 HydrophobicContact CG2-CG 3.89Å; V324-F412 HydrophobicContact CB-CB 3.89Å; V324-F412 HydrophobicContact CB-CD1 3.91Å; V324-F412 HydrophobicContact CB-CD2 3.68Å; V324-F412 HydrophobicContact CB-CE1 4.36Å; V324-F412 HydrophobicContact CB-CE2 4.15Å; V324-F412 HydrophobicContact CB-CG 3.54Å; V324-F412 HydrophobicContact CB-CZ 4.47Å; V324-F412 HydrophobicContact CG1-CD1 4.1Å; V324-F412 HydrophobicContact CG1-CD2 4.13Å; V324-F412 HydrophobicContact CG1-CE1 4.06Å; V324-F412 HydrophobicContact CG1-CE2 4.09Å; V324-F412 HydrophobicContact CG1-CG 4.14Å; V324-F412 HydrophobicContact CG1-CZ 4.06Å; V324-F412 HydrophobicContact CG2-CB 3.81Å; V324-F412 HydrophobicContact CG2-CD1 3.97Å; V324-F412 HydrophobicContact CG2-CD2 4.47Å; V324-F412 HydrophobicContact CG2-CG 3.84Å
325G96.2Very high94.9Very high2 Ų250.8 Ų50.82%0.02125%0.247CC..THydrogen-bonded Turntrans-8823.5-176.900000114.4Y323 Q327 F328 F329 G408Y323-G325 VanDerWaalsContact CE1-O 3.32Å; Y323-G325 WeakPolarHBondContact CE1-O 3.5Å; G325-Q327 VanDerWaalsContact C-N 3.32Å; G325-Q327 PolarHBondContact O-N 3.29Å; G325-F328 WeakPolarHBondContact O-CB 3.24Å; G325-F328 PolarHBondContact O-N 3.33Å; G325-F329 PolarHBondContact O-N 2.72Å; G325-G408 WeakPolarHBondContact CA-O 3.26Å
326Q95.9Very high94.8Very high25 Ų2551.7 Ų51.712%0.11725%0.254CS..Hα-helixtrans-54.6-47.2-177.6-71.2174.4-17.800111.9W320 Y323 V324 F328 F329 L330W320-Q326 HydrophobicContact CD2-CG 4.09Å; W320-Q326 HydrophobicContact CE3-CG 4.28Å; W320-Q326 HydrophobicContact CH2-CB 3.87Å; W320-Q326 HydrophobicContact CH2-CG 3.98Å; W320-Q326 HydrophobicContact CZ2-CB 3.73Å; W320-Q326 HydrophobicContact CZ2-CG 3.69Å; W320-Q326 HydrophobicContact CZ3-CB 4.48Å; W320-Q326 HydrophobicContact CZ3-CG 4.24Å; W320-Q326 PolarHBondContact O-NE2 3.19Å; Y323-Q326 HydrophobicContact CD1-CG 4.43Å; Y323-Q326 WeakPolarHBondContact O-CG 3.26Å; V324-Q326 VanDerWaalsContact C-N 3.28Å; V324-Q326 PolarHBondContact O-N 3.04Å; Q326-F328 VanDerWaalsContact C-N 3.34Å; Q326-F328 PolarHBondContact O-N 3.36Å; Q326-F329 PolarHBondContact O-N 3.37Å; Q326-L330 WeakPolarHBondContact O-CG 3.42Å; Q326-L330 PolarHBondContact O-N 3.42Å
327Q95.3Very high94.9Very high119 Ų11950.4 Ų50.456%0.55625%0.252SS*.Hα-helixtrans-64.3-38.9179.8-66.7-61.1-9.700112.5G325 F329 L330 Q331G325-Q327 VanDerWaalsContact C-N 3.32Å; G325-Q327 PolarHBondContact O-N 3.29Å; Q327-F329 VanDerWaalsContact C-N 3.31Å; Q327-F329 PolarHBondContact O-N 3.22Å; Q327-L330 PolarHBondContact O-N 2.97Å; Q327-Q331 WeakPolarHBondContact O-CB 3.4Å; Q327-Q331 VanDerWaalsContact O-CG 3.28Å; Q327-Q331 WeakPolarHBondContact O-CG 3.5Å; Q327-Q331 PolarHBondContact O-N 2.93Å
328F96.8Very high95.1Very high9 Ų944.2 Ų44.24%0.03923%0.229CC..Hα-helixtrans-61-39.8174.7171.7-92.5000111.9L130 G325 Q326 R332 L404 G408 D411L130-F328 HydrophobicContact CD1-CZ 4.45Å; L130-F328 HydrophobicContact CD2-CE2 4.24Å; L130-F328 HydrophobicContact CD2-CZ 3.76Å; G325-F328 WeakPolarHBondContact O-CB 3.24Å; G325-F328 PolarHBondContact O-N 3.33Å; Q326-F328 VanDerWaalsContact C-N 3.34Å; Q326-F328 PolarHBondContact O-N 3.36Å; F328-R332 WeakPolarHBondContact O-CG 3.43Å; F328-R332 PolarHBondContact O-N 3.27Å; F328-L404 HydrophobicContact CE1-CD1 3.8Å; F328-L404 HydrophobicContact CZ-CD1 4.31Å; F328-G408 VanDerWaalsContact CD1-CA 3.43Å; F328-D411 HydrophobicContact CB-CB 4.09Å; F328-D411 HydrophobicContact CD2-CB 3.75Å; F328-D411 HydrophobicContact CE2-CB 4.49Å; F328-D411 HydrophobicContact CG-CB 4.13Å
329F96.9Very high95.2Very high0 Ų043.7 Ų43.70%023%0.226CC..Hα-helixtrans-65.6-47.3173.9-93.9-118.4000111.8W320 Y323 G325 Q326 Q327 Q331 R332 G333 L334 F339 F342 L404 I405W320-F329 HydrophobicContact CH2-CB 3.78Å; W320-F329 HydrophobicContact CZ3-CB 3.84Å; W320-F329 HydrophobicContact CZ3-CD1 4.18Å; W320-F329 HydrophobicContact CZ3-CG 4.07Å; Y323-F329 AromaticContact CE1-CD2 3.5Å; Y323-F329 HydrophobicContact CE1-CD2 3.5Å; Y323-F329 VanDerWaalsContact CE1-CD2 3.5Å; Y323-F329 AromaticContact CE1-CE2 3.62Å; Y323-F329 HydrophobicContact CE1-CE2 3.62Å; Y323-F329 HydrophobicContact CE1-CG 4.27Å; Y323-F329 HydrophobicContact CE1-CZ 4.46Å; Y323-F329 AromaticContact CZ-CE2 3.81Å; Y323-F329 VanDerWaalsContact OH-CE2 3.31Å; Y323-F329 WeakPolarHBondContact OH-CE2 3.33Å; G325-F329 PolarHBondContact O-N 2.72Å; Q326-F329 PolarHBondContact O-N 3.37Å; Q327-F329 VanDerWaalsContact C-N 3.31Å; Q327-F329 PolarHBondContact O-N 3.22Å; F329-Q331 VanDerWaalsContact C-N 3.34Å; F329-Q331 PolarHBondContact O-N 3.44Å; F329-R332 CarbonylContact O-C 3.53Å; F329-R332 WeakPolarHBondContact O-CA 3.5Å; F329-R332 PolarHBondContact O-N 3.18Å; F329-G333 PolarHBondContact O-N 2.99Å; F329-L334 CarbonylContact C-O 3.59Å; F329-L334 HydrophobicContact CB-CB 4.18Å; F329-L334 HydrophobicContact CD1-CB 3.75Å; F329-L334 HydrophobicContact CD1-CD1 3.71Å; F329-L334 HydrophobicContact CD1-CG 4.43Å; F329-L334 HydrophobicContact CE1-CD1 3.91Å; F329-L334 HydrophobicContact CG-CB 4.31Å; F329-L334 HydrophobicContact CG-CD1 4.28Å; F329-L334 WeakPolarHBondContact O-CB 3.28Å; F329-L334 PolarHBondContact O-N 3.27Å; F329-F339 HydrophobicContact CD1-CB 4.04Å; F329-F339 HydrophobicContact CD1-CD2 4.01Å; F329-F339 HydrophobicContact CE1-CB 3.96Å; F329-F339 AromaticContact CE1-CD2 3.59Å; F329-F339 HydrophobicContact CE1-CD2 3.59Å; F329-F339 HydrophobicContact CE1-CG 4.27Å; F329-F339 HydrophobicContact CE2-CD2 4.27Å; F329-F339 AromaticContact CZ-CD2 3.73Å; F329-F339 HydrophobicContact CZ-CD2 3.73Å; F329-F339 HydrophobicContact CZ-CE2 4.35Å; F329-F342 AromaticContact CE1-CD2 4Å; F329-F342 HydrophobicContact CE1-CD2 4Å; F329-L404 HydrophobicContact CE1-CD2 4.19Å; F329-L404 HydrophobicContact CE2-CG 4.02Å; F329-L404 HydrophobicContact CZ-CD2 3.87Å; F329-L404 HydrophobicContact CZ-CG 3.79Å; F329-I405 HydrophobicContact CZ-CG1 4.16Å
330L96.3Very high95.2Very high86 Ų8639.3 Ų39.345%0.4521%0.207SC..Hα-helixtrans-60.4-42-179.5-68.2171.4000112.1W320 Q326 Q327 R332 G333 L334W320-L330 HydrophobicContact CH2-CG 4.47Å; W320-L330 HydrophobicContact CZ2-CG 4.45Å; Q326-L330 WeakPolarHBondContact O-CG 3.42Å; Q326-L330 PolarHBondContact O-N 3.42Å; Q327-L330 PolarHBondContact O-N 2.97Å; L330-R332 PolarHBondContact O-N 3.42Å; L330-G333 PolarHBondContact O-N 2.96Å; L330-L334 WeakPolarHBondContact CA-O 3.48Å; L330-L334 PolarHBondContact N-O 3.47Å
331Q96.4Very high95.1Very high149 Ų14938.3 Ų38.370%0.69620%0.204SC*.Hα-helixtrans-62.3-21.9175.8-74.3173.1-1.600113.3Q327 F329Q327-Q331 WeakPolarHBondContact O-CB 3.4Å; Q327-Q331 VanDerWaalsContact O-CG 3.28Å; Q327-Q331 WeakPolarHBondContact O-CG 3.5Å; Q327-Q331 PolarHBondContact O-N 2.93Å; F329-Q331 VanDerWaalsContact C-N 3.34Å; F329-Q331 PolarHBondContact O-N 3.44Å
332R96.3Very high95.2Very high94 Ų9434.2 Ų34.236%0.35519%0.188SC..THydrogen-bonded Turntrans-96.312.9176.8-63.7-173.2168.1-674.7113.1A126 F328 F329 L330 L334A126-R332 HydrophobicContact CB-CB 4.18Å; A126-R332 VanDerWaalsContact O-CD 3.32Å; A126-R332 WeakPolarHBondContact O-CD 3.5Å; F328-R332 WeakPolarHBondContact O-CG 3.43Å; F328-R332 PolarHBondContact O-N 3.27Å; F329-R332 CarbonylContact O-C 3.53Å; F329-R332 WeakPolarHBondContact O-CA 3.5Å; F329-R332 PolarHBondContact O-N 3.18Å; L330-R332 PolarHBondContact O-N 3.42Å; R332-L334 VanDerWaalsContact C-N 3.26Å; R332-L334 HydrophobicContact CB-CD1 4.46Å; R332-L334 HydrophobicContact CB-CG 4.39Å; R332-L334 PolarHBondContact O-N 3.18Å
333G95.9Very high95.1Very high65 Ų6533.8 Ų33.867%0.6719%0.186SC*.THydrogen-bonded Turntrans70.920.3-179.400000113.8F329 L330F329-G333 PolarHBondContact O-N 2.99Å; L330-G333 PolarHBondContact O-N 2.96Å
334L96.1Very high94.8Very high6 Ų636.6 Ų36.63%0.03120%0.197CC..  trans-105.6146.3178.5-55175.2000110.7K122 A126 F329 L330 R332 E338 F342 L404K122-L334 HydrophobicContact CB-CD2 4.16Å; A126-L334 HydrophobicContact CB-CD1 3.54Å; A126-L334 HydrophobicContact CB-CD2 4.29Å; A126-L334 HydrophobicContact CB-CG 4.1Å; F329-L334 CarbonylContact C-O 3.59Å; F329-L334 HydrophobicContact CB-CB 4.18Å; F329-L334 HydrophobicContact CD1-CB 3.75Å; F329-L334 HydrophobicContact CD1-CD1 3.71Å; F329-L334 HydrophobicContact CD1-CG 4.43Å; F329-L334 HydrophobicContact CE1-CD1 3.91Å; F329-L334 HydrophobicContact CG-CB 4.31Å; F329-L334 HydrophobicContact CG-CD1 4.28Å; F329-L334 WeakPolarHBondContact O-CB 3.28Å; F329-L334 PolarHBondContact O-N 3.27Å; L330-L334 WeakPolarHBondContact CA-O 3.48Å; L330-L334 PolarHBondContact N-O 3.47Å; R332-L334 VanDerWaalsContact C-N 3.26Å; R332-L334 HydrophobicContact CB-CD1 4.46Å; R332-L334 HydrophobicContact CB-CG 4.39Å; R332-L334 PolarHBondContact O-N 3.18Å; L334-E338 HydrophobicContact CB-CB 4.2Å; L334-E338 HydrophobicContact CD2-CB 4.01Å; L334-E338 HydrophobicContact CD2-CG 3.89Å; L334-F342 HydrophobicContact CD1-CD2 4.49Å; L334-F342 HydrophobicContact CD1-CE2 3.81Å; L334-F342 HydrophobicContact CD2-CE2 4Å; L334-F342 HydrophobicContact CD2-CZ 4.35Å; L334-L404 HydrophobicContact CD1-CD2 3.74Å
335G93.7Very high94.6Very high12 Ų1235.8 Ų35.812%0.12419%0.192CC..  trans-121.7-168.4176.200000114T337 E338 F339G335-T337 PolarHBondContact O-N 2.78Å; G335-E338 PolarHBondContact N-OE2 3.45Å; G335-E338 PolarHBondContact O-N 3.12Å; G335-F339 WeakPolarHBondContact O-CB 3.17Å; G335-F339 PolarHBondContact O-N 3.09Å
336P92.8Very high94.5Very high22 Ų2235.8 Ų35.814%0.14319%0.192CC..Hα-helixtrans-58.7-34.5177.9-23.133.8000112.8Q103 W320 F339 S340Q103-P336 VanDerWaalsContact OE1-CG 3.28Å; W320-P336 HydrophobicContact CB-CB 4.26Å; W320-P336 HydrophobicContact CD2-CB 4.04Å; W320-P336 HydrophobicContact CD2-CG 4.04Å; W320-P336 HydrophobicContact CG-CB 3.78Å; W320-P336 HydrophobicContact CG-CG 4.03Å; W320-P336 HydrophobicContact CZ2-CG 4.23Å; P336-F339 PolarHBondContact O-N 3.03Å; P336-S340 WeakPolarHBondContact O-CB 3.43Å; P336-S340 PolarHBondContact O-N 3.05Å
337T91.4Very high94.2Very high52 Ų5236 Ų3632%0.31920%0.196SC..Hα-helixtrans-65.3-48.3178.9-54.20000112R111 G335 A341R111-T337 VanDerWaalsContact NH2-CG2 3.27Å; G335-T337 PolarHBondContact O-N 2.78Å; T337-A341 PolarHBondContact O-N 3.37Å
338E94.9Very high94Very high25 Ų2530.9 Ų30.912%0.11717%0.172CC..Hα-helixtrans-65.3-42.8174.3-70.875.1-161.900111.2L119 K122 L334 G335 S340 A341 F342L119-E338 HydrophobicContact CD2-CG 4.14Å; K122-E338 HydrophobicContact CD-CG 3.96Å; K122-E338 IonicContact NZ-OE1 2.7Å; K122-E338 PolarHBondContact NZ-OE1 3.1Å; L334-E338 HydrophobicContact CB-CB 4.2Å; L334-E338 HydrophobicContact CD2-CB 4.01Å; L334-E338 HydrophobicContact CD2-CG 3.89Å; G335-E338 PolarHBondContact N-OE2 3.45Å; G335-E338 PolarHBondContact O-N 3.12Å; E338-S340 PolarHBondContact O-N 3.04Å; E338-A341 WeakPolarHBondContact O-CB 3.18Å; E338-A341 PolarHBondContact O-N 2.94Å; E338-F342 HydrophobicContact CB-CD2 4.48Å; E338-F342 HydrophobicContact CB-CE2 4.01Å; E338-F342 HydrophobicContact CB-CZ 4.15Å; E338-F342 WeakPolarHBondContact O-CB 3.06Å; E338-F342 WeakPolarHBondContact O-CD2 3.41Å; E338-F342 WeakPolarHBondContact O-CG 3.18Å; E338-F342 PolarHBondContact O-N 2.83Å
339F95.4Very high93.5Very high1 Ų131.1 Ų31.10%0.00418%0.175CC..Hα-helixtrans-57.7-49.1177.7178.8-93000112.2C318 W320 Y323 F329 G335 P336 A341 F342 C343 I405C318-F339 HydrophobicContact CB-CE1 4.13Å; C318-F339 HydrophobicContact CB-CZ 3.72Å; W320-F339 HydrophobicContact CB-CD1 4.05Å; W320-F339 HydrophobicContact CB-CE1 4.43Å; W320-F339 HydrophobicContact CE3-CB 3.53Å; W320-F339 AromaticContact CE3-CD1 3.82Å; W320-F339 HydrophobicContact CE3-CD1 3.82Å; W320-F339 AromaticContact CE3-CD2 3.89Å; W320-F339 HydrophobicContact CE3-CD2 3.89Å; W320-F339 AromaticContact CE3-CG 3.46Å; W320-F339 HydrophobicContact CE3-CG 3.46Å; W320-F339 VanDerWaalsContact CE3-CG 3.46Å; W320-F339 HydrophobicContact CZ3-CB 3.79Å; W320-F339 HydrophobicContact CZ3-CD2 4.05Å; W320-F339 AromaticContact CZ3-CG 3.95Å; W320-F339 HydrophobicContact CZ3-CG 3.95Å; Y323-F339 AromaticContact CD1-CD2 3.84Å; Y323-F339 HydrophobicContact CD1-CD2 3.84Å; Y323-F339 AromaticContact CD1-CE2 3.34Å; Y323-F339 HydrophobicContact CD1-CE2 3.34Å; Y323-F339 AromaticContact CD1-CZ 3.94Å; Y323-F339 HydrophobicContact CD1-CZ 3.94Å; Y323-F339 AromaticContact CD2-CE2 3.7Å; Y323-F339 HydrophobicContact CD2-CE2 3.7Å; Y323-F339 AromaticContact CD2-CZ 3.85Å; Y323-F339 HydrophobicContact CD2-CZ 3.85Å; Y323-F339 HydrophobicContact CE1-CD2 4Å; Y323-F339 AromaticContact CE1-CE2 3.61Å; Y323-F339 HydrophobicContact CE1-CE2 3.61Å; Y323-F339 AromaticContact CE2-CE2 3.97Å; Y323-F339 HydrophobicContact CE2-CE2 3.97Å; Y323-F339 HydrophobicContact CG-CD2 4.29Å; Y323-F339 AromaticContact CG-CE2 3.38Å; Y323-F339 HydrophobicContact CG-CE2 3.38Å; Y323-F339 AromaticContact CG-CZ 3.54Å; Y323-F339 HydrophobicContact CG-CZ 3.54Å; Y323-F339 AromaticContact CZ-CE2 3.92Å; F329-F339 HydrophobicContact CD1-CB 4.04Å; F329-F339 HydrophobicContact CD1-CD2 4.01Å; F329-F339 HydrophobicContact CE1-CB 3.96Å; F329-F339 AromaticContact CE1-CD2 3.59Å; F329-F339 HydrophobicContact CE1-CD2 3.59Å; F329-F339 HydrophobicContact CE1-CG 4.27Å; F329-F339 HydrophobicContact CE2-CD2 4.27Å; F329-F339 AromaticContact CZ-CD2 3.73Å; F329-F339 HydrophobicContact CZ-CD2 3.73Å; F329-F339 HydrophobicContact CZ-CE2 4.35Å; G335-F339 WeakPolarHBondContact O-CB 3.17Å; G335-F339 PolarHBondContact O-N 3.09Å; P336-F339 PolarHBondContact O-N 3.03Å; F339-A341 VanDerWaalsContact C-N 3.31Å; F339-A341 PolarHBondContact O-N 2.8Å; F339-F342 PolarHBondContact O-N 3.43Å; F339-F342 VanDerWaalsContact O-N 3.16Å; F339-C343 WeakPolarHBondContact CE1-SG 3.35Å; F339-C343 VanDerWaalsContact CZ-SG 3.53Å; F339-C343 PolarHBondContact O-N 3.43Å; F339-C343 PolarHBondContact O-SG 2.99Å; F339-C343 VanDerWaalsContact O-SG 3.38Å; F339-I405 HydrophobicContact CE2-CG1 4.26Å
340S92.8Very high92.8Very high19 Ų1933 Ų3313%0.13319%0.187CC..Hα-helixtrans-57.4-43.4176.7176.20000112P336 E338 C343 R344P336-S340 WeakPolarHBondContact O-CB 3.43Å; P336-S340 PolarHBondContact O-N 3.05Å; E338-S340 PolarHBondContact O-N 3.04Å; S340-C343 PolarHBondContact O-N 3.28Å; S340-R344 PolarHBondContact O-N 3.49Å
341A92.7Very high91.6Very high1 Ų132.1 Ų32.11%0.00819%0.187CC..Hα-helixtrans-60.8-48.5174.400000111.7L108 L119 T337 E338 F339 C343 R344 M345L108-A341 HydrophobicContact CD2-CB 3.64Å; L108-A341 HydrophobicContact CG-CB 4.41Å; L119-A341 HydrophobicContact CD1-CB 3.72Å; L119-A341 HydrophobicContact CD2-CB 3.91Å; L119-A341 HydrophobicContact CG-CB 4.47Å; T337-A341 PolarHBondContact O-N 3.37Å; E338-A341 WeakPolarHBondContact O-CB 3.18Å; E338-A341 PolarHBondContact O-N 2.94Å; F339-A341 VanDerWaalsContact C-N 3.31Å; F339-A341 PolarHBondContact O-N 2.8Å; A341-C343 VanDerWaalsContact C-N 3.35Å; A341-C343 PolarHBondContact O-N 2.8Å; A341-R344 PolarHBondContact O-N 2.95Å; A341-R344 VanDerWaalsContact O-N 3.14Å; A341-M345 WeakPolarHBondContact O-CG 3.38Å; A341-M345 PolarHBondContact O-N 3.25Å
342F95.4Very high89.6Confident0 Ų027.5 Ų27.50%018%0.179CC..Hα-helixtrans-67.2-33.6-178.9-60.9-17.9000112.8L119 K122 L123 F329 L334 E338 F339 R344 M345 S346 C401 L404L119-F342 HydrophobicContact CB-CE1 4.37Å; L119-F342 HydrophobicContact CD2-CE1 4.1Å; L119-F342 WeakPolarHBondContact O-CE1 3.35Å; K122-F342 HydrophobicContact CB-CZ 4.46Å; L123-F342 HydrophobicContact CB-CE1 3.78Å; L123-F342 HydrophobicContact CB-CE2 4.38Å; L123-F342 HydrophobicContact CB-CZ 3.71Å; L123-F342 HydrophobicContact CD1-CD1 4.36Å; L123-F342 HydrophobicContact CD1-CD2 4.17Å; L123-F342 HydrophobicContact CD1-CE1 4.34Å; L123-F342 HydrophobicContact CD1-CE2 4.13Å; L123-F342 HydrophobicContact CD1-CG 4.29Å; L123-F342 HydrophobicContact CD1-CZ 4.23Å; L123-F342 HydrophobicContact CG-CE1 4.5Å; F329-F342 AromaticContact CE1-CD2 4Å; F329-F342 HydrophobicContact CE1-CD2 4Å; L334-F342 HydrophobicContact CD1-CD2 4.49Å; L334-F342 HydrophobicContact CD1-CE2 3.81Å; L334-F342 HydrophobicContact CD2-CE2 4Å; L334-F342 HydrophobicContact CD2-CZ 4.35Å; E338-F342 HydrophobicContact CB-CD2 4.48Å; E338-F342 HydrophobicContact CB-CE2 4.01Å; E338-F342 HydrophobicContact CB-CZ 4.15Å; E338-F342 WeakPolarHBondContact O-CB 3.06Å; E338-F342 WeakPolarHBondContact O-CD2 3.41Å; E338-F342 WeakPolarHBondContact O-CG 3.18Å; E338-F342 PolarHBondContact O-N 2.83Å; F339-F342 PolarHBondContact O-N 3.43Å; F339-F342 VanDerWaalsContact O-N 3.16Å; F342-R344 PolarHBondContact O-N 2.92Å; F342-M345 HydrophobicContact CD1-SD 3.91Å; F342-M345 HydrophobicContact CE1-SD 4.36Å; F342-M345 PolarHBondContact O-N 2.72Å; F342-S346 WeakPolarHBondContact O-CB 3.36Å; F342-S346 PolarHBondContact O-N 3.21Å; F342-C401 HydrophobicContact CB-CB 4.29Å; F342-C401 WeakPolarHBondContact O-CB 3.49Å; F342-L404 HydrophobicContact CD2-CD2 3.74Å; F342-L404 HydrophobicContact CE2-CD2 3.81Å
343C93.5Very high87.2Confident3 Ų327.3 Ų27.32%0.0219%0.19CC..Hα-helixtrans-55.7-51.7168.9-76.60000110.5H315 H316 F339 S340 A341 S346H315-C343 PolarHBondContact O-SG 2.92Å; H315-C343 VanDerWaalsContact O-SG 3.4Å; H316-C343 WeakPolarHBondContact CA-O 3.39Å; H316-C343 WeakPolarHBondContact CB-O 3.47Å; H316-C343 PolarHBondContact N-O 3.08Å; F339-C343 WeakPolarHBondContact CE1-SG 3.35Å; F339-C343 VanDerWaalsContact CZ-SG 3.53Å; F339-C343 PolarHBondContact O-N 3.43Å; F339-C343 PolarHBondContact O-SG 2.99Å; F339-C343 VanDerWaalsContact O-SG 3.38Å; S340-C343 PolarHBondContact O-N 3.28Å; A341-C343 VanDerWaalsContact C-N 3.35Å; A341-C343 PolarHBondContact O-N 2.8Å; C343-S346 WeakPolarHBondContact O-CB 3.4Å; C343-S346 PolarHBondContact O-N 2.96Å; C343-S346 PolarHBondContact O-OG 3.49Å
344R90.8Very high84.7Confident61 Ų6129.1 Ų29.123%0.2319%0.19CC..Hα-helixtrans-67.8-42179.9-64-174.9-157.7-169.26.9112.2S107 L108 S340 A341 F342 S346 S347 E378S107-R344 VanDerWaalsContact CA-NH1 3.3Å; S107-R344 PolarHBondContact OG-NH1 2.87Å; L108-R344 HydrophobicContact CD1-CB 3.3Å; L108-R344 HydrophobicContact CD1-CG 4.21Å; L108-R344 HydrophobicContact CG-CB 4.1Å; S340-R344 PolarHBondContact O-N 3.49Å; A341-R344 PolarHBondContact O-N 2.95Å; A341-R344 VanDerWaalsContact O-N 3.14Å; F342-R344 PolarHBondContact O-N 2.92Å; R344-S346 PolarHBondContact O-N 3.44Å; R344-S347 WeakPolarHBondContact O-CB 3.43Å; R344-S347 PolarHBondContact O-N 3.01Å; R344-S347 PolarHBondContact O-OG 2.98Å; R344-E378 IonicContact CZ-OE1 2.81Å; R344-E378 IonicContact NH1-OE1 3.03Å; R344-E378 PolarHBondContact NH1-OE1 3.25Å
345M91.4Very high81.8Confident1 Ų132.7 Ų32.71%0.00522%0.22CC..Hα-helixtrans-62.1-28176-69.2168.664.700112.5L108 V120 L123 A341 F342 S347 W348 G398 C401L108-M345 HydrophobicContact CD1-CG 3.98Å; V120-M345 HydrophobicContact CG2-CE 3.97Å; L123-M345 HydrophobicContact CD2-CE 4.18Å; A341-M345 WeakPolarHBondContact O-CG 3.38Å; A341-M345 PolarHBondContact O-N 3.25Å; F342-M345 HydrophobicContact CD1-SD 3.91Å; F342-M345 HydrophobicContact CE1-SD 4.36Å; F342-M345 PolarHBondContact O-N 2.72Å; M345-S347 PolarHBondContact O-N 3.2Å; M345-S347 VanDerWaalsContact O-N 3.11Å; M345-W348 HydrophobicContact CB-CD2 4.3Å; M345-W348 HydrophobicContact CB-CE3 4.24Å; M345-W348 HydrophobicContact CB-CH2 4.39Å; M345-W348 HydrophobicContact CB-CZ2 4.43Å; M345-W348 HydrophobicContact CB-CZ3 4.29Å; M345-W348 HydrophobicContact CE-CE3 4.48Å; M345-W348 HydrophobicContact CE-CH2 3.93Å; M345-W348 HydrophobicContact CE-CZ3 3.67Å; M345-W348 HydrophobicContact CG-CE3 4.42Å; M345-W348 HydrophobicContact CG-CH2 3.71Å; M345-W348 HydrophobicContact CG-CZ2 3.82Å; M345-W348 HydrophobicContact CG-CZ3 4.02Å; M345-W348 WeakPolarHBondContact O-CB 3.27Å; M345-W348 PolarHBondContact O-N 3.38Å; M345-W348 HydrophobicContact SD-CH2 4.37Å; M345-G398 WeakPolarHBondContact O-CA 3.25Å; M345-C401 VanDerWaalsContact CB-SG 3.55Å
346S93.1Very high79Confident1 Ų138.8 Ų38.81%0.00725%0.25CS..G310 helixtrans-58.7-25176.278.60000113.8H315 H316 F342 C343 R344 W348 A349 K402H315-S346 WeakPolarHBondContact CB-OG 3.2Å; H316-S346 PolarHBondContact N-OG 3.23Å; F342-S346 WeakPolarHBondContact O-CB 3.36Å; F342-S346 PolarHBondContact O-N 3.21Å; C343-S346 WeakPolarHBondContact O-CB 3.4Å; C343-S346 PolarHBondContact O-N 2.96Å; C343-S346 PolarHBondContact O-OG 3.49Å; R344-S346 PolarHBondContact O-N 3.44Å; S346-W348 PolarHBondContact O-N 3.38Å; S346-A349 WeakPolarHBondContact O-CB 3.34Å; S346-A349 PolarHBondContact O-N 2.87Å; S346-K402 WeakPolarHBondContact O-CE 3.49Å
347S90.7Very high76.3Confident29 Ų2945.5 Ų45.520%0.20328%0.279CS..G310 helixtrans-62.3-27.1175.766.70000112.2R344 M345 A349 T350 C351R344-S347 WeakPolarHBondContact O-CB 3.43Å; R344-S347 PolarHBondContact O-N 3.01Å; R344-S347 PolarHBondContact O-OG 2.98Å; M345-S347 PolarHBondContact O-N 3.2Å; M345-S347 VanDerWaalsContact O-N 3.11Å; S347-A349 PolarHBondContact O-N 2.85Å; S347-A349 VanDerWaalsContact O-N 3.13Å; S347-T350 PolarHBondContact O-N 3.14Å; S347-T350 PolarHBondContact O-OG1 3.43Å; S347-C351 PolarHBondContact O-N 3.48Å; S347-C351 PolarHBondContact O-SG 2.86Å
348W90.3Very high73.5Confident13 Ų1347.7 Ų47.75%0.04930%0.297CS..G310 helixtrans-62.1-22.1180-58.7-8.5000113.3M345 S346 T350 W389 R394 E395 L397M345-W348 HydrophobicContact CB-CD2 4.3Å; M345-W348 HydrophobicContact CB-CE3 4.24Å; M345-W348 HydrophobicContact CB-CH2 4.39Å; M345-W348 HydrophobicContact CB-CZ2 4.43Å; M345-W348 HydrophobicContact CB-CZ3 4.29Å; M345-W348 HydrophobicContact CE-CE3 4.48Å; M345-W348 HydrophobicContact CE-CH2 3.93Å; M345-W348 HydrophobicContact CE-CZ3 3.67Å; M345-W348 HydrophobicContact CG-CE3 4.42Å; M345-W348 HydrophobicContact CG-CH2 3.71Å; M345-W348 HydrophobicContact CG-CZ2 3.82Å; M345-W348 HydrophobicContact CG-CZ3 4.02Å; M345-W348 WeakPolarHBondContact O-CB 3.27Å; M345-W348 PolarHBondContact O-N 3.38Å; M345-W348 HydrophobicContact SD-CH2 4.37Å; S346-W348 PolarHBondContact O-N 3.38Å; W348-T350 PolarHBondContact O-N 3.23Å; W348-W389 HydrophobicContact CH2-CE3 4.47Å; W348-W389 HydrophobicContact CH2-CZ3 4.28Å; W348-R394 HydrophobicContact CB-CB 4.25Å; W348-R394 VanDerWaalsContact CB-O 3.25Å; W348-R394 WeakPolarHBondContact CB-O 3.21Å; W348-R394 HydrophobicContact CE3-CB 4.42Å; W348-E395 WeakPolarHBondContact O-CA 3.46Å; W348-L397 HydrophobicContact CE3-CB 4.06Å; W348-L397 HydrophobicContact CE3-CD1 4.5Å; W348-L397 HydrophobicContact CZ3-CB 4.23Å; W348-L397 HydrophobicContact CZ3-CD1 4.02Å
349A86.3Confident70.5Confident13 Ų1357.1 Ų57.111%0.10733%0.331CS..G310 helixtrans-68-18172.800000113.5S346 S347 R399 K402S346-A349 WeakPolarHBondContact O-CB 3.34Å; S346-A349 PolarHBondContact O-N 2.87Å; S347-A349 PolarHBondContact O-N 2.85Å; S347-A349 VanDerWaalsContact O-N 3.13Å; A349-R399 HydrophobicContact CB-CG 4.13Å; A349-K402 HydrophobicContact CB-CD 4.09Å
350T81.8Confident67.5Low41 Ų4161.5 Ų61.525%0.25237%0.368SS..THydrogen-bonded Turntrans-125.9-16.4-170.7610000113.6S347 W348 G352 L432S347-T350 PolarHBondContact O-N 3.14Å; S347-T350 PolarHBondContact O-OG1 3.43Å; W348-T350 PolarHBondContact O-N 3.23Å; T350-G352 PolarHBondContact O-N 3.49Å; T350-L432 HydrophobicContact CG2-CB 3.87Å
351C71.8Confident64.7Low66 Ų6665.5 Ų65.545%0.44640%0.402SS..  trans-74.8106.1169.9-63.70000108.2S347S347-C351 PolarHBondContact O-N 3.48Å; S347-C351 PolarHBondContact O-SG 2.86Å
352G55.1Low61.8Low52 Ų5270 Ų7054%0.53643%0.433SS..  trans-55.3163.9168.600000111.6T350T350-G352 PolarHBondContact O-N 3.49Å
353P45Very low58.9Low90 Ų9078 Ų7858%0.58447%0.471SS*.  trans-52.3145.7175.121.5-31.5000109.8A355 A391P353-A355 PolarHBondContact O-N 3.35Å; P353-A391 HydrophobicContact CB-CB 4.28Å
354P44.1Very low55.9Low104 Ų10483.2 Ų83.268%0.67551%0.507SS*.SBendtrans-64.383.3-179.825.1-32000110.2
355A35.4Very low53Low80 Ų8084.3 Ų84.366%0.66154%0.537SS*.  trans-121.9104.3174.700000107.2P353P353-A355 PolarHBondContact O-N 3.35Å
356N33.5Very low50.1Low141 Ų14188.5 Ų88.575%0.75457%0.572SS**  trans46.388169.6-71.7-15.8000116.2S358N356-S358 PolarHBondContact O-N 3.41Å
357H37.2Very low47.1Very low162 Ų16293 Ų9375%0.7561%0.61SS**THydrogen-bonded Turntrans-56.414.6167.1-93.9-79.5000116
358S32.7Very low44.2Very low98 Ų9897.8 Ų97.869%0.68563%0.633SS**THydrogen-bonded Turntrans-94.8-1.1-17547.30000115.4N356N356-S358 PolarHBondContact O-N 3.41Å
359R31.8Very low41.8Very low223 Ų223103 Ų10384%0.84266%0.658SS**SBendtrans-126.9-13.9-175.5-76.8-174.9156.3174.6-5.5118.6
360A33Very low39.3Very low94 Ų94108.7 Ų108.778%0.77770%0.697SS**SBendtrans-94.2-10.5-174.600000115.6S362A360-S362 PolarHBondContact O-N 2.96Å; A360-S362 VanDerWaalsContact O-N 3.13Å
361A32.3Very low37Very low102 Ų102108 Ų10884%0.84370%0.698SS**THydrogen-bonded Turntrans-75.64.4-175.300000115.3
362S31.6Very low35.6Very low95 Ų95106.9 Ų106.966%0.66469%0.694SS**THydrogen-bonded Turntrans-1025.2-171.257.60000115.9A360A360-S362 PolarHBondContact O-N 2.96Å; A360-S362 VanDerWaalsContact O-N 3.13Å
363Q35.7Very low34.8Very low169 Ų169108.4 Ų108.479%0.7970%0.701SS**SBendtrans-138.332.7-176.3-65.6-168.327.700117.4
364S30.2Very low34.5Very low112 Ų112111.5 Ų111.578%0.78371%0.708SS**  trans-124.8109.9160.659.20000111.2A366S364-A366 PolarHBondContact O-N 3.28Å
365G29Very low34.7Very low84 Ų84111.2 Ų111.287%0.86670%0.7SS**  trans-70.8110.8179.900000112.2
366A32Very low35.4Very low90 Ų90113.6 Ų113.674%0.74470%0.698SS**  trans21.5114.1148.900000119.7S364S364-A366 PolarHBondContact O-N 3.28Å
367A28.7Very low36.2Very low96 Ų96112.4 Ų112.479%0.79369%0.687SS**  trans-150.9131.5131.700000110.6
368N29.9Very low37Very low129 Ų129107.3 Ų107.369%0.6966%0.664SS**  trans46.6106.4170-74-9.6000119.5K64K64-N368 PolarHBondContact NZ-ND2 3.25Å
369Q41Very low38.2Very low121 Ų121106.2 Ų106.257%0.56565%0.653SS**  trans-113.1105170.6-66-169.637.200110K25 A372K25-Q369 VanDerWaalsContact NZ-CD 3.32Å; Q369-A372 HydrophobicContact CB-CB 4.47Å; Q369-A372 HydrophobicContact CG-CB 4.44Å
370S32.8Very low39.3Very low133 Ų133102.1 Ų102.193%0.9364%0.644SS**SBendtrans-124.8-0.8157.253.20000113.1
371G34.8Very low40.6Very low27 Ų27104.2 Ų104.228%0.27863%0.631SS.*SBendtrans-120.72.9-179.500000116.6A373 E374 D375G371-A373 PolarHBondContact O-N 3.2Å; G371-E374 PolarHBondContact O-N 3.28Å; G371-D375 PolarHBondContact O-N 3.11Å
372A40.9Very low41.9Very low43 Ų43100.9 Ų100.936%0.35560%0.599SS.*THydrogen-bonded Turntrans-68.8-10.5-166.200000116.5Q369Q369-A372 HydrophobicContact CB-CB 4.47Å; Q369-A372 HydrophobicContact CG-CB 4.44Å
373A39.1Very low43.3Very low84 Ų8498.1 Ų98.169%0.69458%0.582SS**THydrogen-bonded Turntrans-88.4-39.1176.700000111.7G371 H376G371-A373 PolarHBondContact O-N 3.2Å; A373-H376 PolarHBondContact O-N 2.55Å
374E39.3Very low44.5Very low155 Ų15592.7 Ų92.772%0.72457%0.566SS**Hα-helixtrans-69.1-39.6176.1-65.8176.2167.500110.9G371 H376 E377 E378G371-E374 PolarHBondContact O-N 3.28Å; E374-H376 PolarHBondContact O-N 3.31Å; E374-E377 PolarHBondContact O-N 2.85Å; E374-E378 PolarHBondContact O-N 2.98Å; E374-E378 VanDerWaalsContact O-N 3.14Å
375D47.1Very low45.9Very low97 Ų9789 Ų8952%0.51954%0.537SS..Hα-helixtrans-57.9-31.3176.7-71.2-29.3000112.9G371 V379G371-D375 PolarHBondContact O-N 3.11Å; D375-V379 WeakPolarHBondContact O-CB 3.23Å; D375-V379 WeakPolarHBondContact O-CG2 3.25Å; D375-V379 PolarHBondContact O-N 3.4Å
376H49.8Very low47.4Very low131 Ų13185 Ų8561%0.60650%0.496SS*.Hα-helixtrans-80.4-37.1-174.3-146.2-68.5000112.6A373 E374 E380A373-H376 PolarHBondContact O-N 2.55Å; E374-H376 PolarHBondContact O-N 3.31Å; H376-E380 PolarHBondContact O-N 3.39Å
377E50.2Low49.1Very low115 Ų11590.8 Ų90.854%0.53750%0.499SS..Hα-helixtrans-70.4-39.2172.6-80.9-163.5-166.100111.9E374 V379 E380 R381E374-E377 PolarHBondContact O-N 2.85Å; E377-V379 VanDerWaalsContact C-N 3.34Å; E377-V379 PolarHBondContact O-N 2.84Å; E377-E380 PolarHBondContact O-N 3.33Å; E377-R381 WeakPolarHBondContact O-CG 3.2Å; E377-R381 PolarHBondContact O-N 2.93Å; E377-R381 IonicContact OE2-CZ 3.46Å; E377-R381 IonicContact OE2-NH2 3.35Å; E377-R381 PolarHBondContact OE2-NH2 2.94Å
378E54.3Low51.2Low56 Ų5691 Ų9126%0.26248%0.482SS..Hα-helixtrans-63.6-41.5177.7-165.5-176.8160.200111.1S107 A109 R344 E374 E380 R381 L382S107-E378 PolarHBondContact OG-OE1 3.17Å; A109-E378 HydrophobicContact CB-CG 3.77Å; R344-E378 IonicContact CZ-OE1 2.81Å; R344-E378 IonicContact NH1-OE1 3.03Å; R344-E378 PolarHBondContact NH1-OE1 3.25Å; E374-E378 PolarHBondContact O-N 2.98Å; E374-E378 VanDerWaalsContact O-N 3.14Å; E378-E380 PolarHBondContact O-N 3.43Å; E378-R381 PolarHBondContact O-N 2.66Å; E378-L382 HydrophobicContact CG-CD1 3.99Å; E378-L382 HydrophobicContact CG-CG 4.44Å; E378-L382 VanDerWaalsContact O-CB 3.26Å; E378-L382 WeakPolarHBondContact O-CB 3.42Å; E378-L382 VanDerWaalsContact O-CG 3.27Å; E378-L382 WeakPolarHBondContact O-CG 3.35Å; E378-L382 PolarHBondContact O-N 2.89Å
379V58Low53.8Low75 Ų7586.7 Ų86.746%0.45546%0.456SS..Hα-helixtrans-63-39.4176.7168.40000111.9D375 E377 A383D375-V379 WeakPolarHBondContact O-CB 3.23Å; D375-V379 WeakPolarHBondContact O-CG2 3.25Å; D375-V379 PolarHBondContact O-N 3.4Å; E377-V379 VanDerWaalsContact C-N 3.34Å; E377-V379 PolarHBondContact O-N 2.84Å; V379-A383 VanDerWaalsContact O-CB 3.23Å; V379-A383 WeakPolarHBondContact O-CB 3.09Å; V379-A383 PolarHBondContact O-N 2.95Å
380E56.4Low55.9Low137 Ų13783.7 Ų83.764%0.6445%0.449SS*.Hα-helixtrans-70.3-39.5178.6-166.3169.6-172.600112.1H376 E377 E378 A383 A384H376-E380 PolarHBondContact O-N 3.39Å; E377-E380 PolarHBondContact O-N 3.33Å; E378-E380 PolarHBondContact O-N 3.43Å; E380-A383 WeakPolarHBondContact O-CB 3.2Å; E380-A383 PolarHBondContact O-N 2.85Å; E380-A384 PolarHBondContact O-N 3.18Å
381R58.6Low58.4Low138 Ų13879.9 Ų79.952%0.52143%0.425SS..Hα-helixtrans-69-41.8173.9-67.4-178.5-157.7-164.89.7112.5A109 E377 E378 A383 A384 L385A109-R381 HydrophobicContact CB-CB 3.97Å; E377-R381 WeakPolarHBondContact O-CG 3.2Å; E377-R381 PolarHBondContact O-N 2.93Å; E377-R381 IonicContact OE2-CZ 3.46Å; E377-R381 IonicContact OE2-NH2 3.35Å; E377-R381 PolarHBondContact OE2-NH2 2.94Å; E378-R381 PolarHBondContact O-N 2.66Å; R381-A383 VanDerWaalsContact C-N 3.28Å; R381-A383 PolarHBondContact O-N 3.29Å; R381-A384 WeakPolarHBondContact O-CB 3.29Å; R381-A384 PolarHBondContact O-N 3.13Å; R381-L385 WeakPolarHBondContact O-CG 3.09Å; R381-L385 PolarHBondContact O-N 3.28Å
382L59.7Low60.9Low31 Ų3181.6 Ų81.616%0.16244%0.437CS..Hα-helixtrans-60.2-40.3170.9-79.4166.8000111.2L108 A109 E378 A384 L385 S386L108-L382 HydrophobicContact CB-CD2 3.71Å; L108-L382 HydrophobicContact CD1-CD2 4.21Å; A109-L382 HydrophobicContact CB-CG 4.39Å; E378-L382 HydrophobicContact CG-CD1 3.99Å; E378-L382 HydrophobicContact CG-CG 4.44Å; E378-L382 VanDerWaalsContact O-CB 3.26Å; E378-L382 WeakPolarHBondContact O-CB 3.42Å; E378-L382 VanDerWaalsContact O-CG 3.27Å; E378-L382 WeakPolarHBondContact O-CG 3.35Å; E378-L382 PolarHBondContact O-N 2.89Å; L382-A384 VanDerWaalsContact C-N 3.34Å; L382-L385 PolarHBondContact O-N 3.31Å; L382-S386 WeakPolarHBondContact O-CB 3.45Å; L382-S386 PolarHBondContact O-N 2.82Å; L382-S386 PolarHBondContact O-OG 3Å
383A61.1Low63.2Low38 Ų3884.3 Ų84.331%0.31444%0.442SS..Hα-helixtrans-61.9-42.6174.500000111V379 E380 R381 S386 R387V379-A383 VanDerWaalsContact O-CB 3.23Å; V379-A383 WeakPolarHBondContact O-CB 3.09Å; V379-A383 PolarHBondContact O-N 2.95Å; E380-A383 WeakPolarHBondContact O-CB 3.2Å; E380-A383 PolarHBondContact O-N 2.85Å; R381-A383 VanDerWaalsContact C-N 3.28Å; R381-A383 PolarHBondContact O-N 3.29Å; A383-S386 WeakPolarHBondContact CA-OG 3.45Å; A383-S386 PolarHBondContact O-N 2.78Å; A383-S386 PolarHBondContact O-OG 3.17Å; A383-R387 WeakPolarHBondContact O-CG 3.5Å; A383-R387 PolarHBondContact O-N 2.7Å
384A62.3Low65.5Low55 Ų5581.8 Ų81.846%0.45541%0.414SS..Hα-helixtrans-63.7-46.6175.800000113E380 R381 L382 S386 R387E380-A384 PolarHBondContact O-N 3.18Å; R381-A384 WeakPolarHBondContact O-CB 3.29Å; R381-A384 PolarHBondContact O-N 3.13Å; L382-A384 VanDerWaalsContact C-N 3.34Å; A384-S386 PolarHBondContact O-N 3.03Å; A384-R387 WeakPolarHBondContact O-CB 3.17Å; A384-R387 PolarHBondContact O-N 3.22Å
385L59.6Low68Low33 Ų3378 Ų7817%0.17340%0.397CS..Hα-helixtrans-64.4-29.8175.7-71168.6000112.3L116 R381 L382 R387 F388L116-L385 HydrophobicContact CD1-CB 4Å; L116-L385 HydrophobicContact CD1-CD1 4.34Å; L116-L385 HydrophobicContact CD1-CD2 4.1Å; L116-L385 HydrophobicContact CD1-CG 4.38Å; R381-L385 WeakPolarHBondContact O-CG 3.09Å; R381-L385 PolarHBondContact O-N 3.28Å; L382-L385 PolarHBondContact O-N 3.31Å; L385-R387 VanDerWaalsContact C-N 3.27Å; L385-R387 PolarHBondContact O-N 2.64Å; L385-F388 HydrophobicContact CD2-CE2 4.31Å; L385-F388 WeakPolarHBondContact O-CD2 3.43Å; L385-F388 WeakPolarHBondContact O-CE2 3.33Å
386S60.8Low70.1Confident1 Ų177.9 Ų77.91%0.00739%0.393CS..G310 helixtrans-77.2-10179.174.10000114.2L382 A383 A384 F388 W389 R394L382-S386 WeakPolarHBondContact O-CB 3.45Å; L382-S386 PolarHBondContact O-N 2.82Å; L382-S386 PolarHBondContact O-OG 3Å; A383-S386 WeakPolarHBondContact CA-OG 3.45Å; A383-S386 PolarHBondContact O-N 2.78Å; A383-S386 PolarHBondContact O-OG 3.17Å; A384-S386 PolarHBondContact O-N 3.03Å; S386-F388 PolarHBondContact O-N 3.01Å; S386-W389 PolarHBondContact O-N 2.9Å; S386-W389 VanDerWaalsContact O-O 3.11Å; S386-R394 WeakPolarHBondContact O-CD 3.37Å; S386-R394 PolarHBondContact OG-NE 2.98Å; S386-R394 PolarHBondContact OG-NH1 3.14Å; S386-R394 PolarHBondContact OG-NH2 3.26Å
387R66.3Low72.1Confident212 Ų21272 Ų7280%0.837%0.366SS*.G310 helixtrans-68.6-11-179.7-62.2179.872.6139.7-0.3113.9A383 A384 L385 W389A383-R387 WeakPolarHBondContact O-CG 3.5Å; A383-R387 PolarHBondContact O-N 2.7Å; A384-R387 WeakPolarHBondContact O-CB 3.17Å; A384-R387 PolarHBondContact O-N 3.22Å; L385-R387 VanDerWaalsContact C-N 3.27Å; L385-R387 PolarHBondContact O-N 2.64Å; R387-W389 VanDerWaalsContact C-N 3.29Å
388F73.6Confident74.2Confident99 Ų9966.5 Ų66.543%0.43434%0.34SS..G310 helixtrans-69.9-28.7174.5-56.3-55.7000112.6R113 L385 S386R113-F388 HydrophobicContact CB-CE2 4.37Å; R113-F388 HydrophobicContact CG-CD2 4.38Å; R113-F388 HydrophobicContact CG-CE2 4.22Å; L385-F388 HydrophobicContact CD2-CE2 4.31Å; L385-F388 WeakPolarHBondContact O-CD2 3.43Å; L385-F388 WeakPolarHBondContact O-CE2 3.33Å; S386-F388 PolarHBondContact O-N 3.01Å
389W83.3Confident76Confident40 Ų4069.2 Ų69.215%0.15235%0.348CS..SBendtrans-103.2142.2175.5-66.8-75000109.9L116 E117 V120 W348 S386 R387 E393 R394 L397L116-W389 HydrophobicContact CB-CH2 3.87Å; L116-W389 HydrophobicContact CB-CZ3 4.45Å; E117-W389 HydrophobicContact CG-CZ2 4.5Å; V120-W389 HydrophobicContact CB-CZ2 4.46Å; V120-W389 HydrophobicContact CG2-CH2 4.14Å; V120-W389 HydrophobicContact CG2-CZ2 3.7Å; W348-W389 HydrophobicContact CH2-CE3 4.47Å; W348-W389 HydrophobicContact CH2-CZ3 4.28Å; S386-W389 PolarHBondContact O-N 2.9Å; S386-W389 VanDerWaalsContact O-O 3.11Å; R387-W389 VanDerWaalsContact C-N 3.29Å; W389-E393 HydrophobicContact CB-CB 3.96Å; W389-E393 HydrophobicContact CG-CB 4.42Å; W389-R394 HydrophobicContact CB-CG 3.67Å; W389-L397 HydrophobicContact CD2-CD1 4.18Å; W389-L397 HydrophobicContact CG-CD1 4.19Å
390S85.9Confident77.8Confident58 Ų5866.7 Ų66.741%0.40633%0.332SS..  trans-58.5159.3167.966.60000110.7A392 E393 R394S390-A392 PolarHBondContact O-N 2.91Å; S390-E393 VanDerWaalsContact CB-OE2 3.28Å; S390-E393 WeakPolarHBondContact CB-OE2 3.39Å; S390-E393 PolarHBondContact N-OE2 2.98Å; S390-E393 PolarHBondContact O-N 2.94Å; S390-E393 WeakPolarHBondContact OG-CB 3.46Å; S390-E393 VanDerWaalsContact OG-CD 3.3Å; S390-E393 VanDerWaalsContact OG-CG 3.23Å; S390-E393 WeakPolarHBondContact OG-CG 3.34Å; S390-E393 PolarHBondContact OG-N 3.47Å; S390-E393 PolarHBondContact OG-OE2 3.43Å; S390-R394 WeakPolarHBondContact O-CG 3.43Å; S390-R394 PolarHBondContact O-N 2.97Å
391A84.5Confident79.6Confident52 Ų5260.2 Ų60.243%0.4330%0.302SS..Hα-helixtrans-55.7-39.9176.700000111.9P353 R394 E395P353-A391 HydrophobicContact CB-CB 4.28Å; A391-R394 PolarHBondContact O-N 3.29Å; A391-E395 WeakPolarHBondContact O-CB 3.36Å; A391-E395 PolarHBondContact O-N 3.5Å
392A87.3Confident81.4Confident64 Ų6454.6 Ų54.653%0.52928%0.281SS..Hα-helixtrans-66.4-41.8178.400000112.7S390 E395 H396S390-A392 PolarHBondContact O-N 2.91Å; A392-E395 PolarHBondContact O-N 2.93Å; A392-H396 WeakPolarHBondContact O-CB 3.46Å; A392-H396 PolarHBondContact O-N 2.81Å
393E89.3Confident83.1Confident99 Ų9954.5 Ų54.546%0.46328%0.281SS..Hα-helixtrans-65.1-43.4176.2-74.8165.5130.200111.5W389 S390 E395 H396 L397W389-E393 HydrophobicContact CB-CB 3.96Å; W389-E393 HydrophobicContact CG-CB 4.42Å; S390-E393 VanDerWaalsContact CB-OE2 3.28Å; S390-E393 WeakPolarHBondContact CB-OE2 3.39Å; S390-E393 PolarHBondContact N-OE2 2.98Å; S390-E393 PolarHBondContact O-N 2.94Å; S390-E393 WeakPolarHBondContact OG-CB 3.46Å; S390-E393 VanDerWaalsContact OG-CD 3.3Å; S390-E393 VanDerWaalsContact OG-CG 3.23Å; S390-E393 WeakPolarHBondContact OG-CG 3.34Å; S390-E393 PolarHBondContact OG-N 3.47Å; S390-E393 PolarHBondContact OG-OE2 3.43Å; E393-E395 VanDerWaalsContact C-N 3.32Å; E393-E395 PolarHBondContact O-N 2.99Å; E393-H396 WeakPolarHBondContact O-CB 3.41Å; E393-H396 PolarHBondContact O-N 3.16Å; E393-L397 VanDerWaalsContact O-CG 3.31Å; E393-L397 WeakPolarHBondContact O-CG 3.46Å; E393-L397 PolarHBondContact O-N 3.48Å
394R88.6Confident84.7Confident31 Ų3152.7 Ų52.712%0.11727%0.266CS..Hα-helixtrans-59.7-45.3175.8-71.1174.959.1-176.40.7111.9W348 S386 W389 S390 A391 H396 L397 G398W348-R394 HydrophobicContact CB-CB 4.25Å; W348-R394 VanDerWaalsContact CB-O 3.25Å; W348-R394 WeakPolarHBondContact CB-O 3.21Å; W348-R394 HydrophobicContact CE3-CB 4.42Å; S386-R394 WeakPolarHBondContact O-CD 3.37Å; S386-R394 PolarHBondContact OG-NE 2.98Å; S386-R394 PolarHBondContact OG-NH1 3.14Å; S386-R394 PolarHBondContact OG-NH2 3.26Å; W389-R394 HydrophobicContact CB-CG 3.67Å; S390-R394 WeakPolarHBondContact O-CG 3.43Å; S390-R394 PolarHBondContact O-N 2.97Å; A391-R394 PolarHBondContact O-N 3.29Å; R394-H396 VanDerWaalsContact C-N 3.3Å; R394-H396 PolarHBondContact O-N 2.92Å; R394-L397 PolarHBondContact O-N 2.97Å; R394-G398 PolarHBondContact O-N 3.47Å
395E90.4Very high86.4Confident77 Ų7750.1 Ų50.136%0.3624%0.244SC..Hα-helixtrans-61.7-42.5178.3-164.9-166.916800110.8W348 A391 A392 E393 G398 R399W348-E395 WeakPolarHBondContact O-CA 3.46Å; A391-E395 WeakPolarHBondContact O-CB 3.36Å; A391-E395 PolarHBondContact O-N 3.5Å; A392-E395 PolarHBondContact O-N 2.93Å; E393-E395 VanDerWaalsContact C-N 3.32Å; E393-E395 PolarHBondContact O-N 2.99Å; E395-G398 PolarHBondContact O-N 3.24Å; E395-R399 WeakPolarHBondContact O-CG 3.38Å; E395-R399 PolarHBondContact O-N 3.01Å; E395-R399 IonicContact OE1-CZ 3.71Å; E395-R399 IonicContact OE1-NH1 3.88Å; E395-R399 PolarHBondContact OE1-NH1 3.43Å; E395-R399 IonicContact OE1-NH2 3.59Å; E395-R399 IonicContact OE2-NH1 2.88Å; E395-R399 IonicContact OE2-NH2 3.53Å
396H91.3Very high88.2Confident94 Ų9448.7 Ų48.744%0.43524%0.237SC..Hα-helixtrans-61.6-48.4173.8178.976.8000112.5A392 E393 R394 G398 R399 L400A392-H396 WeakPolarHBondContact O-CB 3.46Å; A392-H396 PolarHBondContact O-N 2.81Å; E393-H396 WeakPolarHBondContact O-CB 3.41Å; E393-H396 PolarHBondContact O-N 3.16Å; R394-H396 VanDerWaalsContact C-N 3.3Å; R394-H396 PolarHBondContact O-N 2.92Å; H396-G398 VanDerWaalsContact C-N 3.3Å; H396-G398 PolarHBondContact O-N 3.44Å; H396-R399 WeakPolarHBondContact O-CB 3.5Å; H396-R399 PolarHBondContact O-N 3.39Å; H396-L400 WeakPolarHBondContact O-CB 3.33Å; H396-L400 PolarHBondContact O-N 3.26Å
397L93.2Very high89.8Confident7 Ų749 Ų494%0.03724%0.239CC..Hα-helixtrans-61.2-39.6176.5-69.4172.7000111.9V120 L123 W348 W389 E393 R394 L400 C401V120-L397 HydrophobicContact CG1-CD1 4.41Å; V120-L397 HydrophobicContact CG1-CD2 3.77Å; V120-L397 HydrophobicContact CG2-CD1 3.91Å; V120-L397 HydrophobicContact CG2-CD2 4.26Å; L123-L397 HydrophobicContact CD2-CD2 4.2Å; W348-L397 HydrophobicContact CE3-CB 4.06Å; W348-L397 HydrophobicContact CE3-CD1 4.5Å; W348-L397 HydrophobicContact CZ3-CB 4.23Å; W348-L397 HydrophobicContact CZ3-CD1 4.02Å; W389-L397 HydrophobicContact CD2-CD1 4.18Å; W389-L397 HydrophobicContact CG-CD1 4.19Å; E393-L397 VanDerWaalsContact O-CG 3.31Å; E393-L397 WeakPolarHBondContact O-CG 3.46Å; E393-L397 PolarHBondContact O-N 3.48Å; R394-L397 PolarHBondContact O-N 2.97Å; L397-L400 PolarHBondContact O-N 2.96Å; L397-C401 PolarHBondContact O-N 3.13Å; L397-C401 PolarHBondContact O-SG 3.18Å
398G93.6Very high91.3Very high0 Ų038.9 Ų38.90%020%0.201CC..Hα-helixtrans-62.2-44.5174.300000112.1M345 R394 E395 H396 L400 C401 K402M345-G398 WeakPolarHBondContact O-CA 3.25Å; R394-G398 PolarHBondContact O-N 3.47Å; E395-G398 PolarHBondContact O-N 3.24Å; H396-G398 VanDerWaalsContact C-N 3.3Å; H396-G398 PolarHBondContact O-N 3.44Å; G398-L400 VanDerWaalsContact C-N 3.31Å; G398-L400 PolarHBondContact O-N 3.24Å; G398-C401 WeakPolarHBondContact O-CB 3.37Å; G398-C401 PolarHBondContact O-N 3.21Å; G398-K402 WeakPolarHBondContact O-CG 3.48Å; G398-K402 PolarHBondContact O-N 3.01Å
399R92.6Very high92.4Very high112 Ų11234.2 Ų34.242%0.42318%0.18SC..Hα-helixtrans-61.6-40174.3-79.5-173.9-76.5-99.5-5.8111.6A349 E395 H396 K402 L403A349-R399 HydrophobicContact CB-CG 4.13Å; E395-R399 WeakPolarHBondContact O-CG 3.38Å; E395-R399 PolarHBondContact O-N 3.01Å; E395-R399 IonicContact OE1-CZ 3.71Å; E395-R399 IonicContact OE1-NH1 3.88Å; E395-R399 PolarHBondContact OE1-NH1 3.43Å; E395-R399 IonicContact OE1-NH2 3.59Å; E395-R399 IonicContact OE2-NH1 2.88Å; E395-R399 IonicContact OE2-NH2 3.53Å; H396-R399 WeakPolarHBondContact O-CB 3.5Å; H396-R399 PolarHBondContact O-N 3.39Å; R399-K402 WeakPolarHBondContact O-CB 3.41Å; R399-K402 PolarHBondContact O-N 3.34Å; R399-L403 WeakPolarHBondContact O-CB 3.23Å; R399-L403 PolarHBondContact O-N 2.64Å
400L94.6Very high93Very high23 Ų2335 Ų3512%0.1218%0.183CC..Hα-helixtrans-65-40.8177.9-163.561.6000111.7L123 K124 A127 H396 L397 G398 K402 L403 L404L123-L400 HydrophobicContact CD1-CG 4.27Å; L123-L400 HydrophobicContact CD2-CB 4.22Å; L123-L400 HydrophobicContact CD2-CD2 4.13Å; L123-L400 HydrophobicContact CD2-CG 4.34Å; L123-L400 HydrophobicContact CG-CB 4.46Å; L123-L400 HydrophobicContact CG-CD2 3.87Å; L123-L400 HydrophobicContact CG-CG 4.06Å; K124-L400 HydrophobicContact CG-CD2 4.32Å; A127-L400 HydrophobicContact CB-CD1 3.4Å; A127-L400 VanDerWaalsContact CB-CD1 3.4Å; A127-L400 HydrophobicContact CB-CD2 4.07Å; A127-L400 HydrophobicContact CB-CG 3.73Å; H396-L400 WeakPolarHBondContact O-CB 3.33Å; H396-L400 PolarHBondContact O-N 3.26Å; L397-L400 PolarHBondContact O-N 2.96Å; G398-L400 VanDerWaalsContact C-N 3.31Å; G398-L400 PolarHBondContact O-N 3.24Å; L400-K402 PolarHBondContact O-N 3.07Å; L400-L403 HydrophobicContact CD1-CD2 4.39Å; L400-L403 PolarHBondContact O-N 3.14Å; L400-L404 WeakPolarHBondContact O-CB 3.45Å; L400-L404 PolarHBondContact O-N 3.24Å
401C96.1Very high93.5Very high0 Ų033.4 Ų33.40%017%0.17CC..Hα-helixtrans-59.1-46.4172-670000111.5L123 F342 M345 L397 G398 L404 I405L123-C401 WeakPolarHBondContact CD2-SG 3.31Å; F342-C401 HydrophobicContact CB-CB 4.29Å; F342-C401 WeakPolarHBondContact O-CB 3.49Å; M345-C401 VanDerWaalsContact CB-SG 3.55Å; L397-C401 PolarHBondContact O-N 3.13Å; L397-C401 PolarHBondContact O-SG 3.18Å; G398-C401 WeakPolarHBondContact O-CB 3.37Å; G398-C401 PolarHBondContact O-N 3.21Å; C401-L404 PolarHBondContact O-N 3.21Å; C401-I405 WeakPolarHBondContact O-CD1 3.4Å; C401-I405 VanDerWaalsContact O-CG1 3.28Å; C401-I405 WeakPolarHBondContact O-CG1 3.47Å; C401-I405 PolarHBondContact O-N 3.41Å
402K95.1Very high94.1Very high20 Ų2031.8 Ų31.89%0.08715%0.153CC..Hα-helixtrans-59.7-49176.4-69.6-173173.4-1660111.1H315 S346 A349 G398 R399 L400 L404 I405 D406 E433H315-K402 HydrophobicContact CB-CG 4.45Å; S346-K402 WeakPolarHBondContact O-CE 3.49Å; A349-K402 HydrophobicContact CB-CD 4.09Å; G398-K402 WeakPolarHBondContact O-CG 3.48Å; G398-K402 PolarHBondContact O-N 3.01Å; R399-K402 WeakPolarHBondContact O-CB 3.41Å; R399-K402 PolarHBondContact O-N 3.34Å; L400-K402 PolarHBondContact O-N 3.07Å; K402-L404 VanDerWaalsContact C-N 3.33Å; K402-L404 PolarHBondContact O-N 3.37Å; K402-I405 PolarHBondContact O-N 3.34Å; K402-D406 WeakPolarHBondContact O-CB 3.25Å; K402-D406 VanDerWaalsContact O-CG 3.3Å; K402-D406 PolarHBondContact O-N 3.3Å; K402-E433 IonicContact NZ-OE1 3.72Å; K402-E433 PolarHBondContact NZ-OE1 2.91Å; K402-E433 IonicContact NZ-OE2 3.93Å; K402-E433 PolarHBondContact NZ-OE2 3.44Å
403L94.6Very high94.5Very high30 Ų3028.7 Ų28.716%0.15713%0.128CC..Hα-helixtrans-57.4-44.2178.3177.662.1000112.1L130 Q132 R399 L400 D406 S407 L422L130-L403 HydrophobicContact CB-CD2 4.48Å; Q132-L403 HydrophobicContact CG-CD2 4.34Å; R399-L403 WeakPolarHBondContact O-CB 3.23Å; R399-L403 PolarHBondContact O-N 2.64Å; L400-L403 HydrophobicContact CD1-CD2 4.39Å; L400-L403 PolarHBondContact O-N 3.14Å; L403-D406 PolarHBondContact O-N 3.43Å; L403-S407 VanDerWaalsContact O-CB 3.24Å; L403-S407 WeakPolarHBondContact O-CB 3.45Å; L403-S407 PolarHBondContact O-N 3.18Å; L403-S407 PolarHBondContact O-OG 3.16Å; L403-L422 HydrophobicContact CD1-CD1 4.21Å
404L96.6Very high94.8Very high0 Ų030.8 Ų30.80%013%0.132CC..Hα-helixtrans-64.3-46.3179.2-177.666.3000111.5L123 A126 L130 F328 F329 L334 F342 L400 C401 K402 D406 S407 G408L123-L404 HydrophobicContact CD1-CB 4.45Å; L123-L404 HydrophobicContact CD1-CD2 3.78Å; A126-L404 HydrophobicContact CB-CD1 4.18Å; A126-L404 HydrophobicContact CB-CD2 4.18Å; L130-L404 HydrophobicContact CD1-CD1 3.79Å; F328-L404 HydrophobicContact CE1-CD1 3.8Å; F328-L404 HydrophobicContact CZ-CD1 4.31Å; F329-L404 HydrophobicContact CE1-CD2 4.19Å; F329-L404 HydrophobicContact CE2-CG 4.02Å; F329-L404 HydrophobicContact CZ-CD2 3.87Å; F329-L404 HydrophobicContact CZ-CG 3.79Å; L334-L404 HydrophobicContact CD1-CD2 3.74Å; F342-L404 HydrophobicContact CD2-CD2 3.74Å; F342-L404 HydrophobicContact CE2-CD2 3.81Å; L400-L404 WeakPolarHBondContact O-CB 3.45Å; L400-L404 PolarHBondContact O-N 3.24Å; C401-L404 PolarHBondContact O-N 3.21Å; K402-L404 VanDerWaalsContact C-N 3.33Å; K402-L404 PolarHBondContact O-N 3.37Å; L404-D406 VanDerWaalsContact C-N 3.35Å; L404-D406 PolarHBondContact O-N 3.13Å; L404-S407 PolarHBondContact O-N 3.14Å; L404-G408 PolarHBondContact O-N 2.83Å
405I97.3Very high95.1Very high0 Ų033.8 Ų33.80%015%0.153CC..Hα-helixtrans-61.8-43.9176.9-66.9165.6000110.6H315 Y323 F329 F339 C401 K402 S407 G408 R409H315-I405 HydrophobicContact CB-CD1 4.13Å; Y323-I405 HydrophobicContact CD2-CG2 4.46Å; Y323-I405 HydrophobicContact CE2-CG2 3.73Å; Y323-I405 WeakPolarHBondContact CE2-O 3.46Å; Y323-I405 WeakPolarHBondContact OH-CA 3.35Å; Y323-I405 PolarHBondContact OH-O 2.89Å; F329-I405 HydrophobicContact CZ-CG1 4.16Å; F339-I405 HydrophobicContact CE2-CG1 4.26Å; C401-I405 WeakPolarHBondContact O-CD1 3.4Å; C401-I405 VanDerWaalsContact O-CG1 3.28Å; C401-I405 WeakPolarHBondContact O-CG1 3.47Å; C401-I405 PolarHBondContact O-N 3.41Å; K402-I405 PolarHBondContact O-N 3.34Å; I405-S407 VanDerWaalsContact C-N 3.33Å; I405-G408 PolarHBondContact O-N 3.49Å; I405-R409 PolarHBondContact O-N 3.47Å
406D96.3Very high95.2Very high4 Ų435.4 Ų35.42%0.02116%0.156CC..Hα-helixtrans-72-29.7179.9-67.1-31.3000112.2L312 H315 K402 L403 L404 G408 R409 R410 L422L312-D406 HydrophobicContact CD1-CB 4.08Å; L312-D406 VanDerWaalsContact CD1-OD1 3.27Å; L312-D406 WeakPolarHBondContact CD1-OD1 3.41Å; L312-D406 WeakPolarHBondContact CD1-OD2 3.35Å; H315-D406 IonicContact CD2-OD1 2.72Å; H315-D406 IonicContact CD2-OD2 2.7Å; H315-D406 IonicContact CE1-OD1 3.65Å; H315-D406 IonicContact CE1-OD2 3.87Å; H315-D406 IonicContact NE2-OD1 2.64Å; H315-D406 PolarHBondContact NE2-OD1 3.25Å; H315-D406 IonicContact NE2-OD2 2.8Å; H315-D406 PolarHBondContact NE2-OD2 3.4Å; K402-D406 WeakPolarHBondContact O-CB 3.25Å; K402-D406 VanDerWaalsContact O-CG 3.3Å; K402-D406 PolarHBondContact O-N 3.3Å; L403-D406 PolarHBondContact O-N 3.43Å; L404-D406 VanDerWaalsContact C-N 3.35Å; L404-D406 PolarHBondContact O-N 3.13Å; D406-G408 VanDerWaalsContact C-N 3.34Å; D406-G408 PolarHBondContact O-N 3.17Å; D406-R409 WeakPolarHBondContact O-CB 3.49Å; D406-R409 PolarHBondContact O-N 3.12Å; D406-R409 VanDerWaalsContact O-N 3.1Å; D406-R409 IonicContact OD1-CZ 3.75Å; D406-R409 IonicContact OD1-NH1 3.6Å; D406-R409 PolarHBondContact OD1-NH1 3.41Å; D406-R410 WeakPolarHBondContact O-CG 3.36Å; D406-R410 PolarHBondContact O-N 2.93Å; D406-L422 HydrophobicContact CB-CD1 3.72Å; D406-L422 HydrophobicContact CB-CD2 3.94Å
407S96.1Very high95.3Very high7 Ų732.6 Ų32.65%0.04915%0.153CC..Hα-helixtrans-64.6-37.1173.4-650000112.3L403 L404 I405 R409 R410 D411L403-S407 VanDerWaalsContact O-CB 3.24Å; L403-S407 WeakPolarHBondContact O-CB 3.45Å; L403-S407 PolarHBondContact O-N 3.18Å; L403-S407 PolarHBondContact O-OG 3.16Å; L404-S407 PolarHBondContact O-N 3.14Å; I405-S407 VanDerWaalsContact C-N 3.33Å; S407-R409 VanDerWaalsContact C-N 3.3Å; S407-R409 PolarHBondContact O-N 3.27Å; S407-R410 WeakPolarHBondContact O-CB 3.26Å; S407-R410 PolarHBondContact O-N 3.05Å; S407-D411 WeakPolarHBondContact O-CB 3.4Å; S407-D411 PolarHBondContact O-N 3.31Å
408G96.8Very high95.4Very high0 Ų033.1 Ų33.10%016%0.155CC..Hα-helixtrans-68.3-28.2171.900000113.4Y323 G325 F328 L404 I405 D406 D411 F412Y323-G408 VanDerWaalsContact OH-CA 3.25Å; Y323-G408 WeakPolarHBondContact OH-CA 3.38Å; G325-G408 WeakPolarHBondContact CA-O 3.26Å; F328-G408 VanDerWaalsContact CD1-CA 3.43Å; L404-G408 PolarHBondContact O-N 2.83Å; I405-G408 PolarHBondContact O-N 3.49Å; D406-G408 VanDerWaalsContact C-N 3.34Å; D406-G408 PolarHBondContact O-N 3.17Å; G408-D411 PolarHBondContact O-N 3.4Å; G408-F412 PolarHBondContact O-N 2.96Å
409R97.1Very high95.5Very high0 Ų036.8 Ų36.80%018%0.181CC..Hα-helixtrans-69.1-40.2170.2-65.7171.7173.3155.8-8.2111.7D270 L273 C318 Y323 V324 I405 D406 S407 D411 F412 L413 L437D270-R409 IonicContact OD1-CZ 2.78Å; D270-R409 IonicContact OD1-NE 2.85Å; D270-R409 PolarHBondContact OD1-NE 3.18Å; D270-R409 IonicContact OD1-NH2 2.87Å; D270-R409 IonicContact OD2-CZ 2.72Å; D270-R409 IonicContact OD2-NE 2.98Å; D270-R409 IonicContact OD2-NH2 3.04Å; D270-R409 PolarHBondContact OD2-NH2 3.18Å; L273-R409 HydrophobicContact CD1-CB 4.15Å; L273-R409 HydrophobicContact CD1-CG 4.24Å; C318-R409 PolarHBondContact SG-NH2 3.49Å; C318-R409 VanDerWaalsContact SG-NH2 3.37Å; Y323-R409 HydrophobicContact CE2-CG 4.17Å; V324-R409 HydrophobicContact CG2-CB 4.34Å; V324-R409 HydrophobicContact CG2-CG 3.89Å; I405-R409 PolarHBondContact O-N 3.47Å; D406-R409 WeakPolarHBondContact O-CB 3.49Å; D406-R409 PolarHBondContact O-N 3.12Å; D406-R409 VanDerWaalsContact O-N 3.1Å; D406-R409 IonicContact OD1-CZ 3.75Å; D406-R409 IonicContact OD1-NH1 3.6Å; D406-R409 PolarHBondContact OD1-NH1 3.41Å; S407-R409 VanDerWaalsContact C-N 3.3Å; S407-R409 PolarHBondContact O-N 3.27Å; R409-D411 VanDerWaalsContact C-N 3.34Å; R409-F412 PolarHBondContact O-N 3.16Å; R409-L413 WeakPolarHBondContact O-CG 3.48Å; R409-L413 PolarHBondContact O-N 3.41Å; R409-L437 HydrophobicContact CB-CD2 4.2Å
410R96.1Very high95.6Very high58 Ų5831.9 Ų31.922%0.21916%0.164CC..Hα-helixtrans-63.4-40.9172.9-67.2-179.174.4-161.9-0.5112D406 S407 L413 R414 S420 L422 L437D406-R410 WeakPolarHBondContact O-CG 3.36Å; D406-R410 PolarHBondContact O-N 2.93Å; S407-R410 WeakPolarHBondContact O-CB 3.26Å; S407-R410 PolarHBondContact O-N 3.05Å; R410-L413 WeakPolarHBondContact O-CB 3.3Å; R410-L413 PolarHBondContact O-N 3.42Å; R410-R414 WeakPolarHBondContact O-CB 3.05Å; R410-R414 PolarHBondContact O-N 3.19Å; R410-S420 WeakPolarHBondContact CA-OG 3.23Å; R410-S420 VanDerWaalsContact CB-OG 3.3Å; R410-S420 WeakPolarHBondContact CB-OG 3.02Å; R410-S420 WeakPolarHBondContact CG-OG 3.38Å; R410-S420 PolarHBondContact NE-O 2.67Å; R410-S420 PolarHBondContact NH2-O 2.88Å; R410-L422 HydrophobicContact CG-CD1 4.49Å; R410-L422 HydrophobicContact CG-CG 4.33Å; R410-L437 HydrophobicContact CG-CD1 4.08Å
411D96.1Very high95.6Very high23 Ų2335.5 Ų35.512%0.12318%0.176CC..Hα-helixtrans-61.9-48.9176.3-169.574.7000110.9F328 S407 G408 R409 L413 R414 T415F328-D411 HydrophobicContact CB-CB 4.09Å; F328-D411 HydrophobicContact CD2-CB 3.75Å; F328-D411 HydrophobicContact CE2-CB 4.49Å; F328-D411 HydrophobicContact CG-CB 4.13Å; S407-D411 WeakPolarHBondContact O-CB 3.4Å; S407-D411 PolarHBondContact O-N 3.31Å; G408-D411 PolarHBondContact O-N 3.4Å; R409-D411 VanDerWaalsContact C-N 3.34Å; D411-L413 VanDerWaalsContact C-N 3.31Å; D411-L413 PolarHBondContact O-N 3.48Å; D411-R414 WeakPolarHBondContact O-CA 3.27Å; D411-R414 WeakPolarHBondContact O-CB 3.39Å; D411-R414 PolarHBondContact O-N 2.69Å; D411-R414 IonicContact OD1-CZ 3.74Å; D411-R414 IonicContact OD1-NH1 3.9Å; D411-R414 PolarHBondContact OD1-NH1 3.41Å; D411-R414 IonicContact OD1-NH2 3.66Å; D411-R414 PolarHBondContact OD1-NH2 2.92Å; D411-T415 WeakPolarHBondContact O-CG2 3.4Å; D411-T415 PolarHBondContact O-N 3.5Å
412F96.7Very high95.6Very high18 Ų1836 Ų368%0.07918%0.178CC..Hα-helixtrans-52.1-48.5172.2175.1-99.5000112.2L273 R274 L277 V324 G408 R409 R414 T415 R416L273-F412 HydrophobicContact CB-CD1 4.31Å; L273-F412 HydrophobicContact CB-CE1 3.93Å; L273-F412 HydrophobicContact CD1-CD1 4.47Å; R274-F412 HydrophobicContact CG-CE1 4.45Å; R274-F412 HydrophobicContact CG-CE2 4.25Å; R274-F412 HydrophobicContact CG-CZ 3.74Å; L277-F412 HydrophobicContact CD1-CE1 4.05Å; V324-F412 HydrophobicContact CB-CB 3.89Å; V324-F412 HydrophobicContact CB-CD1 3.91Å; V324-F412 HydrophobicContact CB-CD2 3.68Å; V324-F412 HydrophobicContact CB-CE1 4.36Å; V324-F412 HydrophobicContact CB-CE2 4.15Å; V324-F412 HydrophobicContact CB-CG 3.54Å; V324-F412 HydrophobicContact CB-CZ 4.47Å; V324-F412 HydrophobicContact CG1-CD1 4.1Å; V324-F412 HydrophobicContact CG1-CD2 4.13Å; V324-F412 HydrophobicContact CG1-CE1 4.06Å; V324-F412 HydrophobicContact CG1-CE2 4.09Å; V324-F412 HydrophobicContact CG1-CG 4.14Å; V324-F412 HydrophobicContact CG1-CZ 4.06Å; V324-F412 HydrophobicContact CG2-CB 3.81Å; V324-F412 HydrophobicContact CG2-CD1 3.97Å; V324-F412 HydrophobicContact CG2-CD2 4.47Å; V324-F412 HydrophobicContact CG2-CG 3.84Å; G408-F412 PolarHBondContact O-N 2.96Å; R409-F412 PolarHBondContact O-N 3.16Å; F412-R414 VanDerWaalsContact C-N 3.35Å; F412-R414 PolarHBondContact O-N 3.03Å; F412-T415 PolarHBondContact O-N 2.8Å; F412-T415 PolarHBondContact O-OG1 3.36Å; F412-R416 PolarHBondContact O-N 3.33Å
413L96.5Very high95.6Very high0 Ų035.1 Ų35.10%018%0.175CC..Hα-helixtrans-59.5-43.5176.6-75.9163.3000112.5L273 L277 L308 R409 R410 D411 T415 R416 G417 F418 L437 A439L273-L413 HydrophobicContact CD2-CD2 4.23Å; L277-L413 HydrophobicContact CD1-CD2 3.6Å; L308-L413 HydrophobicContact CD2-CD2 3.85Å; R409-L413 WeakPolarHBondContact O-CG 3.48Å; R409-L413 PolarHBondContact O-N 3.41Å; R410-L413 WeakPolarHBondContact O-CB 3.3Å; R410-L413 PolarHBondContact O-N 3.42Å; D411-L413 VanDerWaalsContact C-N 3.31Å; D411-L413 PolarHBondContact O-N 3.48Å; L413-T415 PolarHBondContact O-N 2.87Å; L413-R416 CarbonylContact O-C 3.37Å; L413-R416 PolarHBondContact O-N 2.85Å; L413-G417 PolarHBondContact O-N 2.77Å; L413-F418 HydrophobicContact CB-CB 4.24Å; L413-F418 HydrophobicContact CD2-CB 4.34Å; L413-F418 WeakPolarHBondContact O-CB 3.46Å; L413-F418 PolarHBondContact O-N 3.25Å; L413-L437 HydrophobicContact CD1-CD1 3.89Å; L413-L437 HydrophobicContact CD1-CD2 3.88Å; L413-L437 HydrophobicContact CD1-CG 4.08Å; L413-A439 HydrophobicContact CD1-CB 3.95Å; L413-A439 HydrophobicContact CD2-CB 3.94Å; L413-A439 HydrophobicContact CG-CB 4.45Å
414R95.3Very high95.6Very high143 Ų14333.8 Ų33.854%0.5417%0.168SC..Hα-helixtrans-60.4-45.1177.7-162.9-167-43.3125.316111.6R410 D411 F412 R416 G417 F418R410-R414 WeakPolarHBondContact O-CB 3.05Å; R410-R414 PolarHBondContact O-N 3.19Å; D411-R414 WeakPolarHBondContact O-CA 3.27Å; D411-R414 WeakPolarHBondContact O-CB 3.39Å; D411-R414 PolarHBondContact O-N 2.69Å; D411-R414 IonicContact OD1-CZ 3.74Å; D411-R414 IonicContact OD1-NH1 3.9Å; D411-R414 PolarHBondContact OD1-NH1 3.41Å; D411-R414 IonicContact OD1-NH2 3.66Å; D411-R414 PolarHBondContact OD1-NH2 2.92Å; F412-R414 VanDerWaalsContact C-N 3.35Å; F412-R414 PolarHBondContact O-N 3.03Å; R414-R416 PolarHBondContact O-N 3.46Å; R414-R416 VanDerWaalsContact O-N 3.08Å; R414-G417 PolarHBondContact O-N 3.26Å; R414-F418 WeakPolarHBondContact CA-O 3.26Å
415T93.9Very high95.6Very high93 Ų9333.8 Ų33.857%0.57117%0.168SC*.Hα-helixtrans-60.9-20177.169.50000113D411 F412 L413D411-T415 WeakPolarHBondContact O-CG2 3.4Å; D411-T415 PolarHBondContact O-N 3.5Å; F412-T415 PolarHBondContact O-N 2.8Å; F412-T415 PolarHBondContact O-OG1 3.36Å; L413-T415 PolarHBondContact O-N 2.87Å
416R93.4Very high95.4Very high111 Ų11134.1 Ų34.142%0.41917%0.169SC..THydrogen-bonded Turntrans-100.516.3176.8-57.2-37.5-170.579.711.4113.8L277 D278 F412 L413 R414 F418L277-R416 HydrophobicContact CD1-CB 4.37Å; D278-R416 IonicContact OD1-CZ 3.08Å; D278-R416 IonicContact OD1-NH1 2.65Å; D278-R416 PolarHBondContact OD1-NH1 3.39Å; D278-R416 IonicContact OD1-NH2 2.76Å; D278-R416 PolarHBondContact OD1-NH2 2.93Å; D278-R416 IonicContact OD2-NH2 3.81Å; F412-R416 PolarHBondContact O-N 3.33Å; L413-R416 CarbonylContact O-C 3.37Å; L413-R416 PolarHBondContact O-N 2.85Å; R414-R416 PolarHBondContact O-N 3.46Å; R414-R416 VanDerWaalsContact O-N 3.08Å; R416-F418 HydrophobicContact CB-CD2 4.35Å; R416-F418 VanDerWaalsContact O-CD2 3.28Å; R416-F418 WeakPolarHBondContact O-CD2 3.27Å
417G94.1Very high95.2Very high36 Ų3637.9 Ų37.937%0.37119%0.19SC..THydrogen-bonded Turntrans77.12617500000113.7L413 R414 C442L413-G417 PolarHBondContact O-N 2.77Å; R414-G417 PolarHBondContact O-N 3.26Å; G417-C442 PolarHBondContact O-N 2.7Å
418F95.3Very high94.8Very high18 Ų1839.9 Ų39.98%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-109.2135.1173.7-71.5-105.3000111.4L277 V305 L413 R414 R416 A439 L440 P441L277-F418 HydrophobicContact CD1-CD2 4.47Å; L277-F418 HydrophobicContact CD1-CE2 4.48Å; L277-F418 HydrophobicContact CD2-CD2 4.37Å; L277-F418 HydrophobicContact CD2-CE1 4.44Å; L277-F418 HydrophobicContact CD2-CE2 3.65Å; L277-F418 HydrophobicContact CD2-CZ 3.71Å; V305-F418 HydrophobicContact CB-CZ 4.06Å; V305-F418 HydrophobicContact CG1-CE1 4.08Å; V305-F418 HydrophobicContact CG1-CZ 3.96Å; L413-F418 HydrophobicContact CB-CB 4.24Å; L413-F418 HydrophobicContact CD2-CB 4.34Å; L413-F418 WeakPolarHBondContact O-CB 3.46Å; L413-F418 PolarHBondContact O-N 3.25Å; R414-F418 WeakPolarHBondContact CA-O 3.26Å; R416-F418 HydrophobicContact CB-CD2 4.35Å; R416-F418 VanDerWaalsContact O-CD2 3.28Å; R416-F418 WeakPolarHBondContact O-CD2 3.27Å; F418-A439 HydrophobicContact CB-CB 4.13Å; F418-A439 HydrophobicContact CD1-CB 4.15Å; F418-L440 CarbonylContact C-O 3.52Å; F418-L440 VanDerWaalsContact CA-O 3.26Å; F418-L440 WeakPolarHBondContact CA-O 3.18Å; F418-P441 HydrophobicContact CD1-CG 4.24Å; F418-P441 HydrophobicContact CE1-CB 4.45Å; F418-P441 HydrophobicContact CE1-CG 3.68Å; F418-P441 HydrophobicContact CZ-CG 4.11Å
419S95.1Very high94.4Very high77 Ų7748.7 Ų48.754%0.53825%0.248SC..EExtended strand (participates in β ladder)trans-82.8128.8163.5-176.20000108.6A439 L440 C442S419-A439 CarbonylContact O-C 3.49Å; S419-A439 VanDerWaalsContact O-CA 3.24Å; S419-A439 WeakPolarHBondContact O-CA 3.35Å; S419-L440 PolarHBondContact N-O 2.77Å; S419-L440 PolarHBondContact O-N 3.14Å; S419-C442 PolarHBondContact N-SG 2.87Å; S419-C442 VanDerWaalsContact N-SG 3.39Å
420S95.2Very high94Very high9 Ų949.7 Ų49.76%0.06325%0.254CS..EExtended strand (participates in β ladder)trans-128.7146.8-174.462.80000113.2R410 T438R410-S420 WeakPolarHBondContact CA-OG 3.23Å; R410-S420 VanDerWaalsContact CB-OG 3.3Å; R410-S420 WeakPolarHBondContact CB-OG 3.02Å; R410-S420 WeakPolarHBondContact CG-OG 3.38Å; R410-S420 PolarHBondContact NE-O 2.67Å; R410-S420 PolarHBondContact NH2-O 2.88Å; S420-T438 CarbonylContact C-O 3.58Å; S420-T438 WeakPolarHBondContact CA-O 3.49Å; S420-T438 WeakPolarHBondContact CB-O 3.44Å
421R94.9Very high93.6Very high99 Ų9947.4 Ų47.437%0.37425%0.246SC..EExtended strand (participates in β ladder)trans-129.5150.9178.7-58.8-179.967.3-174.5-2.1110.7E135 I423 T438E135-R421 IonicContact OE2-CZ 3.06Å; E135-R421 IonicContact OE2-NH2 3.34Å; E135-R421 PolarHBondContact OE2-NH2 3.44Å; R421-I423 HydrophobicContact CB-CD1 4.47Å; R421-I423 HydrophobicContact CB-CG1 4.24Å; R421-T438 PolarHBondContact N-O 3.19Å; R421-T438 PolarHBondContact O-N 2.92Å
422L95Very high93.2Very high9 Ų950.6 Ų50.65%0.04726%0.263CS..EExtended strand (participates in β ladder)trans-108127.8165.2-64.6169.5000107.2L312 L403 D406 R410 V435 L436 L437L312-L422 HydrophobicContact CD1-CD2 3.63Å; L403-L422 HydrophobicContact CD1-CD1 4.21Å; D406-L422 HydrophobicContact CB-CD1 3.72Å; D406-L422 HydrophobicContact CB-CD2 3.94Å; R410-L422 HydrophobicContact CG-CD1 4.49Å; R410-L422 HydrophobicContact CG-CG 4.33Å; L422-V435 HydrophobicContact CB-CG1 4.11Å; L422-V435 HydrophobicContact CD2-CG1 3.89Å; L422-V435 HydrophobicContact CG-CG1 4.5Å; L422-L436 WeakPolarHBondContact CA-O 2.9Å; L422-L437 HydrophobicContact CD2-CB 4.24Å; L422-L437 HydrophobicContact CD2-CD1 3.87Å
423I95.1Very high92.9Very high3 Ų351.3 Ų51.32%0.01527%0.266CS..EExtended strand (participates in β ladder)trans-128131.6-174.3-57.2174.1000108.5E135 R137 R421 Y425 V435 L436 T438E135-I423 WeakPolarHBondContact O-CG2 3.4Å; R137-I423 HydrophobicContact CB-CG2 3.94Å; R421-I423 HydrophobicContact CB-CD1 4.47Å; R421-I423 HydrophobicContact CB-CG1 4.24Å; I423-Y425 PolarHBondContact O-N 3.2Å; I423-V435 CarbonylContact O-C 3.48Å; I423-V435 WeakPolarHBondContact O-CA 3.44Å; I423-L436 PolarHBondContact N-O 2.67Å; I423-L436 PolarHBondContact O-N 3.05Å; I423-T438 HydrophobicContact CD1-CG2 4.08Å
424G95.4Very high92.7Very high1 Ų152.6 Ų52.61%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-70.483.6164.700000109.1E135 D136 R137 I426 N434E135-G424 PolarHBondContact O-N 2.88Å; D136-G424 WeakPolarHBondContact OD1-CA 3.16Å; R137-G424 CarbonylContact C-O 3.44Å; R137-G424 PolarHBondContact N-O 2.9Å; G424-I426 PolarHBondContact O-N 3.17Å; G424-N434 CarbonylContact C-O 3.54Å; G424-N434 WeakPolarHBondContact CA-O 3.47Å
425Y95.3Very high92.7Very high0 Ų046.9 Ų46.90%025%0.254CS..  trans-75.6-13.6-167.678.2-81.3000113.2Q163 S166 L167 H170 A311 I423 N434 L436Q163-Y425 HydrophobicContact CB-CE2 4.27Å; Q163-Y425 HydrophobicContact CG-CE2 4.37Å; S166-Y425 WeakPolarHBondContact CB-O 3.33Å; S166-Y425 PolarHBondContact OG-O 2.98Å; L167-Y425 HydrophobicContact CG-CD2 4.47Å; L167-Y425 HydrophobicContact CG-CE2 4.25Å; H170-Y425 WeakPolarHBondContact NE2-CB 3.39Å; A311-Y425 HydrophobicContact CB-CE1 3.95Å; I423-Y425 PolarHBondContact O-N 3.2Å; Y425-N434 VanDerWaalsContact CD1-C 3.4Å; Y425-N434 WeakPolarHBondContact CD1-O 3.41Å; Y425-N434 VanDerWaalsContact CE1-C 3.43Å; Y425-N434 PolarHBondContact N-O 2.82Å; Y425-L436 HydrophobicContact CD1-CB 3.65Å; Y425-L436 HydrophobicContact CG-CB 3.86Å; Y425-L436 HydrophobicContact CG-CD2 4.45Å
426I94.1Very high92.8Very high7 Ų742.4 Ų42.44%0.03623%0.227CC..SBendtrans-154.1154.5-179.3-164.7163.3000110.7T138 K162 Q163 G424 V430 T431 N434T138-I426 WeakPolarHBondContact OG1-CA 3.16Å; K162-I426 HydrophobicContact CB-CD1 3.71Å; Q163-I426 HydrophobicContact CG-CD1 4.01Å; G424-I426 PolarHBondContact O-N 3.17Å; I426-V430 HydrophobicContact CD1-CB 3.86Å; I426-V430 HydrophobicContact CD1-CG1 3.6Å; I426-V430 HydrophobicContact CD1-CG2 4.04Å; I426-V430 HydrophobicContact CG1-CB 3.94Å; I426-V430 HydrophobicContact CG1-CG1 4.25Å; I426-V430 HydrophobicContact CG1-CG2 3.99Å; I426-T431 HydrophobicContact CG2-CG2 3.57Å; I426-N434 HydrophobicContact CG2-CB 3.64Å; I426-N434 WeakPolarHBondContact O-CB 3.44Å; I426-N434 PolarHBondContact O-ND2 3.45Å
427D91Very high92.9Very high84 Ų8437.1 Ų37.145%0.44921%0.207SC..  trans-59.2140.3177.1-161.6-67.2000112.6E429 V430 T431D427-E429 PolarHBondContact O-N 3.03Å; D427-E429 VanDerWaalsContact OD1-CB 3.25Å; D427-E429 WeakPolarHBondContact OD1-CB 3.23Å; D427-E429 VanDerWaalsContact OD1-CG 3.27Å; D427-E429 WeakPolarHBondContact OD1-CG 3.38Å; D427-E429 PolarHBondContact OD1-N 2.94Å; D427-V430 HydrophobicContact CB-CG2 4.46Å; D427-V430 WeakPolarHBondContact O-CB 3.4Å; D427-V430 PolarHBondContact O-N 3.33Å; D427-T431 PolarHBondContact O-N 3.29Å
428A88.8Confident93.1Very high49 Ų4935.6 Ų35.641%0.40519%0.19SC..THydrogen-bonded Turntrans-59.8-28.2177.400000112.8V430 T431 L432A428-V430 PolarHBondContact O-N 3.32Å; A428-T431 WeakPolarHBondContact CA-O 3.28Å; A428-T431 CarbonylContact O-C 3.55Å; A428-T431 VanDerWaalsContact O-C 3.26Å; A428-T431 PolarHBondContact O-N 3.15Å; A428-L432 HydrophobicContact CB-CD2 4.42Å
429E88.1Confident93.1Very high184 Ų18434.8 Ų34.886%0.8619%0.187SC*.THydrogen-bonded Turntrans-60.6-31.2172.5-68-176.8174.700112.3D427D427-E429 PolarHBondContact O-N 3.03Å; D427-E429 VanDerWaalsContact OD1-CB 3.25Å; D427-E429 WeakPolarHBondContact OD1-CB 3.23Å; D427-E429 VanDerWaalsContact OD1-CG 3.27Å; D427-E429 WeakPolarHBondContact OD1-CG 3.38Å; D427-E429 PolarHBondContact OD1-N 2.94Å
430V88.1Confident93.2Very high22 Ų2233.8 Ų33.813%0.13318%0.175CC..THydrogen-bonded Turntrans-78.4-46.3174.6-176.50000109.8K159 K162 I426 D427 A428K159-V430 HydrophobicContact CB-CG1 4.27Å; K159-V430 WeakPolarHBondContact CD-O 3.39Å; K159-V430 WeakPolarHBondContact CE-O 3.49Å; K159-V430 HydrophobicContact CG-CG1 3.82Å; K159-V430 PolarHBondContact NZ-O 2.75Å; K162-V430 HydrophobicContact CB-CG1 4.41Å; K162-V430 HydrophobicContact CD-CG1 4.48Å; K162-V430 HydrophobicContact CD-CG2 3.93Å; I426-V430 HydrophobicContact CD1-CB 3.86Å; I426-V430 HydrophobicContact CD1-CG1 3.6Å; I426-V430 HydrophobicContact CD1-CG2 4.04Å; I426-V430 HydrophobicContact CG1-CB 3.94Å; I426-V430 HydrophobicContact CG1-CG1 4.25Å; I426-V430 HydrophobicContact CG1-CG2 3.99Å; D427-V430 HydrophobicContact CB-CG2 4.46Å; D427-V430 WeakPolarHBondContact O-CB 3.4Å; D427-V430 PolarHBondContact O-N 3.33Å; A428-V430 PolarHBondContact O-N 3.32Å
431T88.7Confident93.2Very high10 Ų1036.3 Ų36.36%0.06119%0.192CC..  trans-158.1137.6179.5-170.30000112K159 Q163 I426 D427 A428 E433 N434K159-T431 PolarHBondContact NZ-OG1 3.01Å; Q163-T431 HydrophobicContact CG-CG2 4.46Å; Q163-T431 VanDerWaalsContact NE2-CG2 3.25Å; I426-T431 HydrophobicContact CG2-CG2 3.57Å; D427-T431 PolarHBondContact O-N 3.29Å; A428-T431 WeakPolarHBondContact CA-O 3.28Å; A428-T431 CarbonylContact O-C 3.55Å; A428-T431 VanDerWaalsContact O-C 3.26Å; A428-T431 PolarHBondContact O-N 3.15Å; T431-E433 WeakPolarHBondContact CG2-O 3.49Å; T431-E433 PolarHBondContact O-N 3.18Å; T431-E433 PolarHBondContact OG1-N 3.08Å; T431-N434 HydrophobicContact CG2-CB 4.05Å; T431-N434 WeakPolarHBondContact O-CB 3.42Å
432L88.3Confident92.9Very high89 Ų8934.4 Ų34.447%0.46619%0.192SC..SBendtrans-74.7-12.3172-55.3177.7000112.9T350 A428T350-L432 HydrophobicContact CG2-CB 3.87Å; A428-L432 HydrophobicContact CB-CD2 4.42Å
433E89.3Confident91.9Very high33 Ų3338.6 Ų38.615%0.15422%0.223CC..  trans-99.474.4170.3-60-68.1-176.800108.6C313 K402 T431C313-E433 HydrophobicContact CB-CB 3.86Å; C313-E433 HydrophobicContact CB-CG 3.86Å; K402-E433 IonicContact NZ-OE1 3.72Å; K402-E433 PolarHBondContact NZ-OE1 2.91Å; K402-E433 IonicContact NZ-OE2 3.93Å; K402-E433 PolarHBondContact NZ-OE2 3.44Å; T431-E433 WeakPolarHBondContact CG2-O 3.49Å; T431-E433 PolarHBondContact O-N 3.18Å; T431-E433 PolarHBondContact OG1-N 3.08Å
434N92.6Very high89.8Confident28 Ų2843 Ų4315%0.1527%0.268CS..  trans-11620.2-170.463.8-26.6000114.3G424 Y425 I426 T431G424-N434 CarbonylContact C-O 3.54Å; G424-N434 WeakPolarHBondContact CA-O 3.47Å; Y425-N434 VanDerWaalsContact CD1-C 3.4Å; Y425-N434 WeakPolarHBondContact CD1-O 3.41Å; Y425-N434 VanDerWaalsContact CE1-C 3.43Å; Y425-N434 PolarHBondContact N-O 2.82Å; I426-N434 HydrophobicContact CG2-CB 3.64Å; I426-N434 WeakPolarHBondContact O-CB 3.44Å; I426-N434 PolarHBondContact O-ND2 3.45Å; T431-N434 HydrophobicContact CG2-CB 4.05Å; T431-N434 WeakPolarHBondContact O-CB 3.42Å
435V94.4Very high87.1Confident22 Ų2247.6 Ų47.613%0.13330%0.301CS..EExtended strand (participates in β ladder)trans-98.8130.8177.6-1780000110.5M134 L312 L422 I423M134-V435 HydrophobicContact SD-CG1 4.49Å; M134-V435 HydrophobicContact SD-CG2 3.83Å; L312-V435 HydrophobicContact CD1-CG1 3.97Å; L312-V435 PolarHBondContact N-O 3.43Å; L422-V435 HydrophobicContact CB-CG1 4.11Å; L422-V435 HydrophobicContact CD2-CG1 3.89Å; L422-V435 HydrophobicContact CG-CG1 4.5Å; I423-V435 CarbonylContact O-C 3.48Å; I423-V435 WeakPolarHBondContact O-CA 3.44Å
436L96.2Very high84.1Confident0 Ų053.1 Ų53.10%034%0.338CS..EExtended strand (participates in β ladder)trans-109.9122.4175.1-179.761.3000109.6L167 H170 A309 V310 A311 L422 I423 Y425 T438L167-L436 HydrophobicContact CD2-CD1 3.39Å; L167-L436 HydrophobicContact CD2-CD2 4.2Å; L167-L436 HydrophobicContact CD2-CG 4.42Å; H170-L436 HydrophobicContact CB-CD2 3.77Å; A309-L436 HydrophobicContact CB-CD1 4.22Å; V310-L436 VanDerWaalsContact C-CD1 3.41Å; A311-L436 HydrophobicContact CB-CD1 4.42Å; L422-L436 WeakPolarHBondContact CA-O 2.9Å; I423-L436 PolarHBondContact N-O 2.67Å; I423-L436 PolarHBondContact O-N 3.05Å; Y425-L436 HydrophobicContact CD1-CB 3.65Å; Y425-L436 HydrophobicContact CG-CB 3.86Å; Y425-L436 HydrophobicContact CG-CD2 4.45Å; L436-T438 HydrophobicContact CD2-CG2 3.77Å; L436-T438 HydrophobicContact CG-CG2 3.7Å
437L96.8Very high81.3Confident0 Ų058.3 Ų58.30%037%0.372CS..EExtended strand (participates in β ladder)trans-85.3120.1166.6178.961.2000108.8L273 L308 A309 V310 L312 R409 R410 L413 L422L273-L437 HydrophobicContact CD1-CD2 4.38Å; L308-L437 HydrophobicContact CD1-CG 4.2Å; A309-L437 WeakPolarHBondContact CA-O 3.45Å; V310-L437 PolarHBondContact N-O 3.41Å; V310-L437 PolarHBondContact O-N 3.24Å; L312-L437 HydrophobicContact CD1-CB 3.8Å; L312-L437 HydrophobicContact CD2-CB 3.81Å; L312-L437 HydrophobicContact CD2-CD2 4.2Å; L312-L437 HydrophobicContact CG-CB 3.91Å; R409-L437 HydrophobicContact CB-CD2 4.2Å; R410-L437 HydrophobicContact CG-CD1 4.08Å; L413-L437 HydrophobicContact CD1-CD1 3.89Å; L413-L437 HydrophobicContact CD1-CD2 3.88Å; L413-L437 HydrophobicContact CD1-CG 4.08Å; L422-L437 HydrophobicContact CD2-CB 4.24Å; L422-L437 HydrophobicContact CD2-CD1 3.87Å
438T97.1Very high78.4Confident3 Ų363 Ų632%0.01839%0.391CS..EExtended strand (participates in β ladder)trans-117.2147.9172.766.40000110.1L174 L308 A309 S420 R421 I423 L436L174-T438 HydrophobicContact CD1-CG2 3.81Å; L308-T438 VanDerWaalsContact O-CA 3.3Å; L308-T438 WeakPolarHBondContact O-CA 3.34Å; A309-T438 HydrophobicContact CB-CG2 4.43Å; S420-T438 CarbonylContact C-O 3.58Å; S420-T438 WeakPolarHBondContact CA-O 3.49Å; S420-T438 WeakPolarHBondContact CB-O 3.44Å; R421-T438 PolarHBondContact N-O 3.19Å; R421-T438 PolarHBondContact O-N 2.92Å; I423-T438 HydrophobicContact CD1-CG2 4.08Å; L436-T438 HydrophobicContact CD2-CG2 3.77Å; L436-T438 HydrophobicContact CG-CG2 3.7Å
439A96.8Very high75.9Confident1 Ų166.5 Ų66.51%0.00841%0.41CS..EExtended strand (participates in β ladder)trans-149142.5173.800000112G307 L308 L413 F418 S419G307-A439 CarbonylContact C-O 3.58Å; G307-A439 WeakPolarHBondContact CA-O 3.36Å; L308-A439 HydrophobicContact CD1-CB 4.26Å; L308-A439 HydrophobicContact CD2-CB 4.23Å; L308-A439 HydrophobicContact CG-CB 3.89Å; L308-A439 PolarHBondContact N-O 3.44Å; L308-A439 PolarHBondContact O-N 3.23Å; L413-A439 HydrophobicContact CD1-CB 3.95Å; L413-A439 HydrophobicContact CD2-CB 3.94Å; L413-A439 HydrophobicContact CG-CB 4.45Å; F418-A439 HydrophobicContact CB-CB 4.13Å; F418-A439 HydrophobicContact CD1-CB 4.15Å; S419-A439 CarbonylContact O-C 3.49Å; S419-A439 VanDerWaalsContact O-CA 3.24Å; S419-A439 WeakPolarHBondContact O-CA 3.35Å
440L96.4Very high73.4Confident57 Ų5762.5 Ų62.530%0.29841%0.408SS..EExtended strand (participates in β ladder)trans-130.4147.1174.1-65.1176.3000109.2L174 L176 L306 F418 S419 C442L174-L440 HydrophobicContact CD2-CD1 3.99Å; L174-L440 HydrophobicContact CD2-CG 4.46Å; L176-L440 HydrophobicContact CD1-CD2 3.93Å; L176-L440 HydrophobicContact CD2-CD2 3.75Å; L176-L440 HydrophobicContact CG-CD2 3.9Å; L306-L440 WeakPolarHBondContact O-CD2 3.47Å; F418-L440 CarbonylContact C-O 3.52Å; F418-L440 VanDerWaalsContact CA-O 3.26Å; F418-L440 WeakPolarHBondContact CA-O 3.18Å; S419-L440 PolarHBondContact N-O 2.77Å; S419-L440 PolarHBondContact O-N 3.14Å; L440-C442 PolarHBondContact O-N 3.28Å
441P94.1Very high70.9Confident62 Ų6269.8 Ų69.840%0.40347%0.471SS..EExtended strand (participates in β ladder)trans-54135.7171.5-24.332.7000110.7V305 L306 F418 S443V305-P441 WeakPolarHBondContact O-CG 3.23Å; L306-P441 WeakPolarHBondContact O-CD 3.41Å; F418-P441 HydrophobicContact CD1-CG 4.24Å; F418-P441 HydrophobicContact CE1-CB 4.45Å; F418-P441 HydrophobicContact CE1-CG 3.68Å; F418-P441 HydrophobicContact CZ-CG 4.11Å; P441-S443 PolarHBondContact O-N 3.12Å
442C89.8Confident70Confident58 Ų5872.8 Ų72.839%0.39249%0.491SS..PPolyproline II helixtrans-61.9124.9169.9-66.80000108.4G417 S419 L440 G444G417-C442 PolarHBondContact O-N 2.7Å; S419-C442 PolarHBondContact N-SG 2.87Å; S419-C442 VanDerWaalsContact N-SG 3.39Å; L440-C442 PolarHBondContact O-N 3.28Å; C442-G444 PolarHBondContact O-N 3.2Å
443S73.6Confident69.1Low98 Ų9871.9 Ų71.969%0.68549%0.493SS*.PPolyproline II helixtrans-56.5133.6159.541.80000107.2P441 S445P441-S443 PolarHBondContact O-N 3.12Å; S443-S445 PolarHBondContact O-N 3.12Å
444G50.6Low67.9Low94 Ų9474.1 Ų74.197%0.96951%0.511SS*.SBendtrans-6541.4-164.800000117.6C442C442-G444 PolarHBondContact O-N 3.2Å
445S40.1Very low66.5Low99 Ų9976.8 Ų76.869%0.69253%0.533SS*.  trans-149.478.5176.160.90000109.5S443S443-S445 PolarHBondContact O-N 3.12Å
446C31.1Very low64.8Low115 Ų11580.3 Ų80.378%0.77756%0.558SS**  trans-126112.6157-131.20000107.2
447P35.3Very low62.7Low116 Ų11685.6 Ų85.675%0.75360%0.595SS**PPolyproline II helixtrans-63.1139.8173.426.3-30.1000108.8
448E30.5Very low60.2Low183 Ų18391.7 Ų91.786%0.85564%0.637SS**PPolyproline II helixtrans-51.6131.8169.8-73.4-172.7147.600109.3A450E448-A450 PolarHBondContact O-N 3.26Å
449P35.8Very low57.4Low123 Ų12398.5 Ų98.580%0.79969%0.685SS**PPolyproline II helixtrans-65.1127.5165.527.2-29.1000107.6
450A35.7Very low54.1Low100 Ų100106.7 Ų106.783%0.82674%0.741SS**PPolyproline II helixtrans-54.1138.9177.100000110.7E448E448-A450 PolarHBondContact O-N 3.26Å
451A36.3Very low50.3Low175 Ų175111.2 Ų111.2100%1.44678%0.782SS**  trans-54.80-178.100000114.5

Retrieved 451 of 451 residues in 382 ms (Link to these results)

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