G4VPB3_SCHMA Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession G4VPB3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 400 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
1M39.3Very low36.5Very low241 Ų241166.8 Ų166.8100%1.18785%0.848SS**  0119.70-68.4165.574.300107.1
2F34.4Very low36.5Very low204 Ų204160.1 Ų160.190%0.89584%0.836SS**  trans-85.8126-178.6-69.8-88.4000109.4
3S39.7Very low36.6Very low103 Ų103154.8 Ų154.872%0.7282%0.821SS**  trans-125.692.3165.267.20000109.7Q5S3-Q5 VanDerWaalsContact C-N 3.33Å; S3-Q5 PolarHBondContact O-N 3.18Å; S3-Q5 VanDerWaalsContact O-N 3.16Å
4N34Very low36.5Very low159 Ų159161.2 Ų161.285%0.8583%0.828SS**  trans-77.286164-74-24.9000108.2
5Q37.9Very low36.3Very low171 Ų171160.1 Ų160.180%0.79983%0.825SS**  trans-14394170.6-74.4-174.6-18.700108.8S3S3-Q5 VanDerWaalsContact C-N 3.33Å; S3-Q5 PolarHBondContact O-N 3.18Å; S3-Q5 VanDerWaalsContact O-N 3.16Å
6Y34.1Very low36.5Very low224 Ų224160.3 Ų160.388%0.87883%0.826SS**  -177.1107.4120.7-138.6-108.3000108.5G8Y6-G8 PolarHBondContact O-N 3.34Å
7M31.8Very low36.5Very low182 Ų182157.9 Ų157.990%0.89783%0.827SS**  trans-67.485.8163.2-73.4177.971.500107.8T9M7-T9 PolarHBondContact O-N 2.9Å
8G35.9Very low36.2Very low55 Ų55162.7 Ų162.757%0.56783%0.833SS**  trans-66.896.5168.500000109.1Y6 R10Y6-G8 PolarHBondContact O-N 3.34Å; G8-R10 PolarHBondContact O-N 3.42Å
9T38.2Very low36Very low131 Ų131158.9 Ų158.980%0.80483%0.828SS**  trans-45.2102.9170.349.50000110.3M7M7-T9 PolarHBondContact O-N 2.9Å
10R36.4Very low36.1Very low236 Ų236155.6 Ų155.689%0.89183%0.825SS**PPolyproline II helixtrans-66.7123.6168.6-71.7-177.8165.6-161.5-4.5107.3G8 A12G8-R10 PolarHBondContact O-N 3.42Å; R10-A12 PolarHBondContact O-N 3.11Å; R10-A12 VanDerWaalsContact O-N 3.15Å
11P40.5Very low36.1Very low129 Ų129152.9 Ų152.984%0.83882%0.819SS**PPolyproline II helixtrans-58.9121.5-173.319.9-30.1000110.3S13P11-S13 PolarHBondContact O-N 3.19Å
12A35.9Very low35.9Very low86 Ų86147.2 Ų147.271%0.71180%0.797SS**PPolyproline II helixtrans-55.4129173.800000110R10 R14R10-A12 PolarHBondContact O-N 3.11Å; R10-A12 VanDerWaalsContact O-N 3.15Å; A12-R14 PolarHBondContact O-N 2.96Å
13S37.9Very low36Very low91 Ų91142.2 Ų142.264%0.63678%0.784SS**  trans35.287.5145.952.80000116P11 N15P11-S13 PolarHBondContact O-N 3.19Å; S13-N15 VanDerWaalsContact C-N 3.32Å; S13-N15 PolarHBondContact O-N 3.06Å
14R35.3Very low35.8Very low245 Ų245143.1 Ų143.193%0.92579%0.785SS**  trans-60.5102.9151.7-74.6-176.6175.3-166.6-2107.4A12 L16A12-R14 PolarHBondContact O-N 2.96Å; R14-L16 PolarHBondContact O-N 3.07Å
15N33.4Very low36Very low145 Ų145147 Ų14778%0.77579%0.789SS**  trans-55.197.8168.1-74.1-49.5000108.6S13 S17S13-N15 VanDerWaalsContact C-N 3.32Å; S13-N15 PolarHBondContact O-N 3.06Å; N15-S17 PolarHBondContact O-N 2.89Å
16L39.7Very low35.9Very low162 Ų162141.4 Ų141.485%0.84878%0.778SS**  trans-73.5108.5164.5-68.3174.4000106.7R14 R18R14-L16 PolarHBondContact O-N 3.07Å; L16-R18 PolarHBondContact O-N 2.95Å
17S37Very low36.2Very low121 Ų121139.8 Ų139.885%0.84678%0.778SS**  trans-50.9110.9174.6-58.60000109.6N15 A19N15-S17 PolarHBondContact O-N 2.89Å; S17-A19 PolarHBondContact O-N 2.94Å; S17-A19 VanDerWaalsContact O-N 3.15Å
18R31.2Very low36.6Very low244 Ų244136 Ų13692%0.92177%0.77SS**  trans-70.5110178.2-155.5177.1-162.6-168.22.8107L16 A20L16-R18 PolarHBondContact O-N 2.95Å; R18-A20 PolarHBondContact O-N 2.89Å
19A32.4Very low36.6Very low90 Ų90135.1 Ų135.174%0.74476%0.76SS**  trans-53.9125.3166.900000107.7S17 S21S17-A19 PolarHBondContact O-N 2.94Å; S17-A19 VanDerWaalsContact O-N 3.15Å; A19-S21 PolarHBondContact O-N 2.95Å
20A37.5Very low37.1Very low93 Ų93135 Ų13577%0.76976%0.762SS**  trans-64.382.6173.500000108.3R18 T22R18-A20 PolarHBondContact O-N 2.89Å; A20-T22 PolarHBondContact O-N 3.14Å
21S36.2Very low37.3Very low99 Ų99133.6 Ų133.669%0.69276%0.758SS**  trans-74.390.9167.7-1690000106.3A19 T23A19-S21 PolarHBondContact O-N 2.95Å; S21-T23 PolarHBondContact O-N 3.21Å; S21-T23 PolarHBondContact OG-OG1 3.47Å
22T34.9Very low37.4Very low121 Ų121130.7 Ų130.774%0.74274%0.741SS**  trans-6672.516552.60000107.9A20 V24A20-T22 PolarHBondContact O-N 3.14Å; T22-V24 VanDerWaalsContact C-N 3.32Å; T22-V24 PolarHBondContact O-N 3.22Å
23T36.8Very low37.9Very low99 Ų99137.1 Ų137.161%0.60775%0.747SS**  trans-75.497.6168.5-49.20000105.9S21 Y25S21-T23 PolarHBondContact O-N 3.21Å; S21-T23 PolarHBondContact OG-OG1 3.47Å; T23-Y25 PolarHBondContact O-N 2.75Å
24V34.8Very low38.3Very low122 Ų122140.3 Ų140.374%0.73976%0.756SS**  trans-54.9101.6176-179.80000108.1T22 G26T22-V24 VanDerWaalsContact C-N 3.32Å; T22-V24 PolarHBondContact O-N 3.22Å; V24-G26 PolarHBondContact O-N 3.1Å
25Y37.8Very low38.7Very low240 Ų240136.5 Ų136.594%0.94175%0.754SS**THydrogen-bonded Turntrans-69.870.3166.9-89.8-92.8000108.3T23T23-Y25 PolarHBondContact O-N 2.75Å
26G37.1Very low39.2Very low55 Ų55133.6 Ų133.657%0.56775%0.75SS**THydrogen-bonded Turntrans-144.2-7.8-175.800000114.8V24 S28V24-G26 PolarHBondContact O-N 3.1Å; G26-S28 PolarHBondContact O-N 3.08Å
27Q39.4Very low39.3Very low190 Ų190134 Ų13489%0.88875%0.747SS**  trans-89.6103173.6-75.6-158.3-20.800110.7G29Q27-G29 VanDerWaalsContact C-N 3.34Å; Q27-G29 PolarHBondContact O-N 2.88Å
28S40.9Very low39.7Very low103 Ų103133.4 Ų133.472%0.7274%0.741SS**  trans-56.394161.552.30000109.7G26G26-S28 PolarHBondContact O-N 3.08Å
29G35.4Very low40.6Very low35 Ų35130.8 Ų130.836%0.36174%0.739SS.*  trans-64.4161.9164.300000109.8Q27 Y31 S32Q27-G29 VanDerWaalsContact C-N 3.34Å; Q27-G29 PolarHBondContact O-N 2.88Å; G29-Y31 PolarHBondContact O-N 2.97Å; G29-S32 WeakPolarHBondContact O-CB 3.32Å; G29-S32 PolarHBondContact O-N 2.95Å
30P48.3Very low41.5Very low129 Ų129135.4 Ų135.484%0.83875%0.745SS**THydrogen-bonded Turntrans-61.10.9178.725.1-34.1000114.3
31Y41.9Very low42.1Very low206 Ų206137.2 Ų137.281%0.80874%0.736SS**THydrogen-bonded Turntrans-108.94.1174.7-56.1-71.3000113.9G29 R33G29-Y31 PolarHBondContact O-N 2.97Å; Y31-R33 VanDerWaalsContact C-N 3.28Å; Y31-R33 PolarHBondContact O-N 2.96Å
32S42.6Very low43Very low68 Ų68137 Ų13748%0.47673%0.732SS.*  trans-72.782.4175.7-81.70000110.8G29 L34G29-S32 WeakPolarHBondContact O-CB 3.32Å; G29-S32 PolarHBondContact O-N 2.95Å; S32-L34 PolarHBondContact O-N 2.89Å
33R44.3Very low44.4Very low222 Ų222138.3 Ų138.384%0.83874%0.739SS**G310 helixtrans-72.527.1175.2-64.7-177.3177-175.1-1.2113.9Y31 N35Y31-R33 VanDerWaalsContact C-N 3.28Å; Y31-R33 PolarHBondContact O-N 2.96Å; R33-N35 VanDerWaalsContact C-N 3.3Å; R33-N35 PolarHBondContact O-N 3.28Å
34L46.4Very low45.2Very low158 Ų158140.9 Ų140.983%0.82775%0.749SS**G310 helixtrans-80.5-7.1-175.8-82.7166.8000114.2S32S32-L34 PolarHBondContact O-N 2.89Å
35N43.8Very low46Very low164 Ų164137.2 Ų137.288%0.87773%0.732SS**G310 helixtrans-118.627.6178-75.7-12.7000114R33R33-N35 VanDerWaalsContact C-N 3.3Å; R33-N35 PolarHBondContact O-N 3.28Å
36A45.4Very low46.8Very low85 Ų85134 Ų13470%0.70272%0.723SS**  trans-90.3113.817300000110.1
37Q40.7Very low47.8Very low169 Ų169136 Ų13679%0.7972%0.721SS**  trans-28.8152.8167.2-74.9-77.9-34.300115.1Q39Q37-Q39 PolarHBondContact O-N 2.91Å
38P46.1Very low48.9Very low109 Ų109133.8 Ų133.871%0.70872%0.715SS**SBendtrans-49.7123.9-168.419.3-31.5000110.8Q40P38-Q40 PolarHBondContact O-N 3.36Å
39Q50.9Low49.6Very low189 Ų189134.5 Ų134.588%0.88371%0.711SS**  trans-49.5109-179-62.3-172.3-6.200108.6Q37 K41Q37-Q39 PolarHBondContact O-N 2.91Å; Q39-K41 PolarHBondContact O-N 3.17Å
40Q51.1Low50.7Low187 Ų187139.6 Ų139.687%0.87473%0.729SS**  trans-56.8108.6166.4-80.4179.6-1.300106P38P38-Q40 PolarHBondContact O-N 3.36Å
41K49.2Very low51.1Low132 Ų132138.1 Ų138.157%0.57473%0.728SS**  trans-53.4131.3173.8-136.4-179-177-172.40105.9Q39 V43 A45Q39-K41 PolarHBondContact O-N 3.17Å; K41-V43 PolarHBondContact O-N 3.22Å; K41-A45 HydrophobicContact CG-CB 4.31Å
42P55.1Low51.9Low95 Ų95135.9 Ų135.962%0.61773%0.725SS**  trans-52131.3174.1-21.329.9000108N44 A45P42-N44 PolarHBondContact O-N 2.84Å; P42-A45 HydrophobicContact CB-CB 4.5Å; P42-A45 WeakPolarHBondContact O-CB 3.46Å; P42-A45 PolarHBondContact O-N 2.8Å
43V64.1Low52.6Low147 Ų147137.6 Ų137.689%0.89174%0.735SS**THydrogen-bonded Turntrans-56.4-17.2-176.9-177.70000112K41K41-V43 PolarHBondContact O-N 3.22Å
44N54.4Low53.6Low153 Ų153135.2 Ų135.282%0.81873%0.733SS**THydrogen-bonded Turntrans-107.714.1178.5-64.2-2000114.3P42 K46P42-N44 PolarHBondContact O-N 2.84Å; N44-K46 PolarHBondContact O-N 2.94Å
45A51.8Low54.7Low45 Ų45136.4 Ų136.437%0.37273%0.734SS.*  trans-69.9102.717000000107.9K41 P42 D47K41-A45 HydrophobicContact CG-CB 4.31Å; P42-A45 HydrophobicContact CB-CB 4.5Å; P42-A45 WeakPolarHBondContact O-CB 3.46Å; P42-A45 PolarHBondContact O-N 2.8Å; A45-D47 PolarHBondContact O-N 2.89Å
46K54.3Low56.1Low173 Ų173132.3 Ų132.375%0.75272%0.715SS**  trans-45.8132.9172.4-155.2176.4-179.1-168.80108.4N44 N48N44-K46 PolarHBondContact O-N 2.94Å; K46-N48 PolarHBondContact O-N 2.93Å
47D58.5Low57.6Low97 Ų97133.5 Ų133.552%0.51971%0.71SS.*  trans-63.1126.3-176-160.215.4000108.9A45 N49A45-D47 PolarHBondContact O-N 2.89Å; D47-N49 VanDerWaalsContact CG-ND2 3.26Å; D47-N49 PolarHBondContact O-N 2.93Å; D47-N49 VanDerWaalsContact O-N 3.13Å; D47-N49 PolarHBondContact OD1-ND2 3.09Å; D47-N49 VanDerWaalsContact OD1-ND2 3.1Å; D47-N49 PolarHBondContact OD2-ND2 3.09Å
48N61Low59.5Low144 Ų144132.8 Ų132.877%0.7770%0.701SS**  trans-82.822.2-176-72.5-28.6000111.6K46K46-N48 PolarHBondContact O-N 2.93Å
49N57Low61.3Low118 Ų118130.5 Ų130.563%0.63169%0.687SS**  trans-89.74.1-168.9-80.9-31.8000114.7D47 A51D47-N49 VanDerWaalsContact CG-ND2 3.26Å; D47-N49 PolarHBondContact O-N 2.93Å; D47-N49 VanDerWaalsContact O-N 3.13Å; D47-N49 PolarHBondContact OD1-ND2 3.09Å; D47-N49 VanDerWaalsContact OD1-ND2 3.1Å; D47-N49 PolarHBondContact OD2-ND2 3.09Å; N49-A51 PolarHBondContact O-N 3.46Å
50D58.2Low62.8Low141 Ų141124 Ų12475%0.75466%0.656SS**  trans-89.698.1177.9-62.7-33.6000109.8E52D50-E52 PolarHBondContact O-N 3.18Å
51A56.2Low64.2Low98 Ų98119.8 Ų119.881%0.8164%0.638SS**  trans-69.617.2-17900000114.8N49N49-A51 PolarHBondContact O-N 3.46Å
52E57.7Low66Low160 Ų160120.4 Ų120.475%0.74865%0.648SS**SBendtrans-103.6121.7174.4-72.6-65.2138.900108.1D50 E54D50-E52 PolarHBondContact O-N 3.18Å; E52-E54 VanDerWaalsContact C-N 3.31Å; E52-E54 PolarHBondContact O-N 3.1Å
53P57.8Low67.5Low104 Ų104118.8 Ų118.868%0.67563%0.633SS**  trans-60.6103.4168.326.7-30000106E55P53-E55 VanDerWaalsContact C-N 3.32Å; P53-E55 PolarHBondContact O-N 2.98Å
54E65.5Low68.6Low172 Ų172115.4 Ų115.480%0.80462%0.615SS**  trans-53.4101.9176.3-160.4174.2-156.300106.3E52 V56E52-E54 VanDerWaalsContact C-N 3.31Å; E52-E54 PolarHBondContact O-N 3.1Å; E54-V56 VanDerWaalsContact C-N 3.26Å; E54-V56 PolarHBondContact O-N 2.95Å
55E70.7Confident69.8Low183 Ų183112.1 Ų112.186%0.85560%0.6SS**  trans-65.196.5179.3-75.8-172.7176.400105.8P53 D57P53-E55 VanDerWaalsContact C-N 3.32Å; P53-E55 PolarHBondContact O-N 2.98Å; E55-D57 PolarHBondContact O-N 3.1Å
56V73.2Confident71.3Confident78 Ų78119.9 Ų119.947%0.47362%0.619SS.*  trans-61.7110.7178.4179.30000106.5E54 Y58E54-V56 VanDerWaalsContact C-N 3.26Å; E54-V56 PolarHBondContact O-N 2.95Å; V56-Y58 HydrophobicContact CB-CD2 4.3Å; V56-Y58 HydrophobicContact CB-CE1 4.43Å; V56-Y58 HydrophobicContact CB-CE2 3.64Å; V56-Y58 HydrophobicContact CG1-CD1 4.22Å; V56-Y58 HydrophobicContact CG1-CD2 4.33Å; V56-Y58 HydrophobicContact CG1-CE1 3.69Å; V56-Y58 HydrophobicContact CG1-CE2 3.81Å; V56-Y58 VanDerWaalsContact CG1-CZ 3.45Å; V56-Y58 WeakPolarHBondContact O-CD2 3.25Å; V56-Y58 WeakPolarHBondContact O-CE2 3.34Å; V56-Y58 PolarHBondContact O-N 3.16Å
57D76.3Confident72.6Confident110 Ų110116.1 Ų116.159%0.58860%0.604SS**  trans-67.9100.9179.3-178.115.6000110E55 S59 F60E55-D57 PolarHBondContact O-N 3.1Å; D57-S59 VanDerWaalsContact C-N 3.27Å; D57-S59 WeakPolarHBondContact OD1-CA 3.2Å; D57-S59 WeakPolarHBondContact OD1-CB 3.37Å; D57-S59 PolarHBondContact OD1-N 2.72Å; D57-S59 PolarHBondContact OD1-OG 2.65Å; D57-S59 PolarHBondContact OD2-OG 3.23Å; D57-F60 WeakPolarHBondContact O-CD1 3.46Å; D57-F60 WeakPolarHBondContact O-CE1 3.32Å
58Y80.5Confident73.8Confident153 Ų153114.5 Ų114.560%0.659%0.591SS**  trans-87.812.8174.3-63.9-72.9000112.8V56 F60 M61V56-Y58 HydrophobicContact CB-CD2 4.3Å; V56-Y58 HydrophobicContact CB-CE1 4.43Å; V56-Y58 HydrophobicContact CB-CE2 3.64Å; V56-Y58 HydrophobicContact CG1-CD1 4.22Å; V56-Y58 HydrophobicContact CG1-CD2 4.33Å; V56-Y58 HydrophobicContact CG1-CE1 3.69Å; V56-Y58 HydrophobicContact CG1-CE2 3.81Å; V56-Y58 VanDerWaalsContact CG1-CZ 3.45Å; V56-Y58 WeakPolarHBondContact O-CD2 3.25Å; V56-Y58 WeakPolarHBondContact O-CE2 3.34Å; V56-Y58 PolarHBondContact O-N 3.16Å; Y58-F60 HydrophobicContact CD1-CE1 4.19Å; Y58-F60 HydrophobicContact CD1-CZ 4.22Å; Y58-F60 PolarHBondContact O-N 2.63Å; Y58-F60 VanDerWaalsContact O-N 3.09Å; Y58-M61 VanDerWaalsContact O-CB 3.25Å; Y58-M61 WeakPolarHBondContact O-CB 3.42Å; Y58-M61 PolarHBondContact O-N 3.2Å
59S83.2Confident74.5Confident61 Ų61115.8 Ų115.843%0.42759%0.585SS.*G310 helixtrans-53-33.1179.164.10000112.8D57 M61 N62D57-S59 VanDerWaalsContact C-N 3.27Å; D57-S59 WeakPolarHBondContact OD1-CA 3.2Å; D57-S59 WeakPolarHBondContact OD1-CB 3.37Å; D57-S59 PolarHBondContact OD1-N 2.72Å; D57-S59 PolarHBondContact OD1-OG 2.65Å; D57-S59 PolarHBondContact OD2-OG 3.23Å; S59-M61 PolarHBondContact O-N 2.78Å; S59-M61 VanDerWaalsContact O-N 3.12Å; S59-N62 WeakPolarHBondContact O-CB 3.43Å; S59-N62 PolarHBondContact O-N 2.89Å
60F82.3Confident75.6Confident53 Ų53117 Ų11723%0.23259%0.585CS.*G310 helixtrans-59.9-23.717669.7-90.8000113.5D57 Y58 N62 L63 R68 L71 F72D57-F60 WeakPolarHBondContact O-CD1 3.46Å; D57-F60 WeakPolarHBondContact O-CE1 3.32Å; Y58-F60 HydrophobicContact CD1-CE1 4.19Å; Y58-F60 HydrophobicContact CD1-CZ 4.22Å; Y58-F60 PolarHBondContact O-N 2.63Å; Y58-F60 VanDerWaalsContact O-N 3.09Å; F60-N62 PolarHBondContact O-N 2.92Å; F60-L63 HydrophobicContact CB-CD1 4.18Å; F60-L63 VanDerWaalsContact O-CB 3.29Å; F60-L63 WeakPolarHBondContact O-CB 3.37Å; F60-L63 PolarHBondContact O-N 3.4Å; F60-R68 HydrophobicContact CD2-CG 4.37Å; F60-R68 WeakPolarHBondContact O-CD 3.33Å; F60-R68 WeakPolarHBondContact O-CG 3.42Å; F60-L71 HydrophobicContact CB-CD1 3.41Å; F60-L71 VanDerWaalsContact CB-CD1 3.41Å; F60-L71 HydrophobicContact CG-CD1 4.27Å; F60-F72 HydrophobicContact CD2-CZ 4.34Å; F60-F72 AromaticContact CE2-CZ 3.95Å; F60-F72 HydrophobicContact CE2-CZ 3.95Å
61M81Confident76.4Confident98 Ų98115 Ų11548%0.48357%0.574SS.*G310 helixtrans-65.3-24.6177-69.5-63.2-75.500112.8Y58 S59 L63 R68Y58-M61 VanDerWaalsContact O-CB 3.25Å; Y58-M61 WeakPolarHBondContact O-CB 3.42Å; Y58-M61 PolarHBondContact O-N 3.2Å; S59-M61 PolarHBondContact O-N 2.78Å; S59-M61 VanDerWaalsContact O-N 3.12Å; M61-L63 VanDerWaalsContact C-N 3.27Å; M61-R68 PolarHBondContact O-NH1 3.09Å; M61-R68 PolarHBondContact SD-NH1 3.05Å
62N88.1Confident77.3Confident146 Ų146117.5 Ų117.578%0.78157%0.566SS**G310 helixtrans-76.5-15.9174.4-61.1-31.7000112.5S59 F60S59-N62 WeakPolarHBondContact O-CB 3.43Å; S59-N62 PolarHBondContact O-N 2.89Å; F60-N62 PolarHBondContact O-N 2.92Å
63L84.9Confident77.7Confident60 Ų60116 Ų11631%0.31456%0.563SS.*SBendtrans-72.1145.1179.2-61.3171.9000111.2F60 M61 E67 R68 L71F60-L63 HydrophobicContact CB-CD1 4.18Å; F60-L63 VanDerWaalsContact O-CB 3.29Å; F60-L63 WeakPolarHBondContact O-CB 3.37Å; F60-L63 PolarHBondContact O-N 3.4Å; M61-L63 VanDerWaalsContact C-N 3.27Å; L63-E67 HydrophobicContact CB-CB 4.12Å; L63-R68 HydrophobicContact CB-CG 3.9Å; L63-R68 PolarHBondContact O-NE 3.22Å; L63-R68 PolarHBondContact O-NH2 3Å; L63-L71 HydrophobicContact CD1-CD1 3.83Å
64P88Confident77.6Confident77 Ų77113.6 Ų113.650%0.556%0.558SS.*  trans-49.7147.3166.5-26.634.2000112R66 E67 R68P64-R66 PolarHBondContact O-N 3.05Å; P64-R66 VanDerWaalsContact O-N 3.09Å; P64-E67 WeakPolarHBondContact CD-OE2 3.45Å; P64-E67 PolarHBondContact O-N 2.92Å; P64-R68 PolarHBondContact O-N 3.16Å
65V80.6Confident77Confident84 Ų84109.8 Ų109.851%0.50956%0.564SS.*Hα-helixtrans-54-37.5-176.1178.40000112.3E67 R69V65-E67 VanDerWaalsContact C-N 3.29Å; V65-E67 PolarHBondContact O-N 3.2Å; V65-R69 WeakPolarHBondContact O-CG 3.29Å; V65-R69 PolarHBondContact O-N 2.89Å
66R82.4Confident75.8Confident207 Ų207103.9 Ų103.978%0.78155%0.552SS**Hα-helixtrans-61.2-38.3177.3-175.8-175.9-68.5176.5-1.2112P64P64-R66 PolarHBondContact O-N 3.05Å; P64-R66 VanDerWaalsContact O-N 3.09Å
67E82.3Confident74.7Confident94 Ų94108.5 Ų108.544%0.43957%0.569SS.*Hα-helixtrans-79.5-41.2-178.3-68.3-178.2177.800111.4L63 P64 V65 R69 K70L63-E67 HydrophobicContact CB-CB 4.12Å; P64-E67 WeakPolarHBondContact CD-OE2 3.45Å; P64-E67 PolarHBondContact O-N 2.92Å; V65-E67 VanDerWaalsContact C-N 3.29Å; V65-E67 PolarHBondContact O-N 3.2Å; E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 3.46Å; E67-K70 WeakPolarHBondContact O-CB 3.48Å; E67-K70 PolarHBondContact O-N 2.99Å
68R82.1Confident73.5Confident64 Ų64108.3 Ų108.324%0.24257%0.573CS.*Hα-helixtrans-54.5-43.5172.9-80.1-172.1-93.4-173.5-4.7113.4F60 M61 L63 P64 K70 L71 F72F60-R68 HydrophobicContact CD2-CG 4.37Å; F60-R68 WeakPolarHBondContact O-CD 3.33Å; F60-R68 WeakPolarHBondContact O-CG 3.42Å; M61-R68 PolarHBondContact O-NH1 3.09Å; M61-R68 PolarHBondContact SD-NH1 3.05Å; L63-R68 HydrophobicContact CB-CG 3.9Å; L63-R68 PolarHBondContact O-NE 3.22Å; L63-R68 PolarHBondContact O-NH2 3Å; P64-R68 PolarHBondContact O-N 3.16Å; R68-K70 PolarHBondContact O-N 3.35Å; R68-L71 WeakPolarHBondContact O-CB 3.38Å; R68-L71 PolarHBondContact O-N 3.11Å; R68-F72 WeakPolarHBondContact O-CD2 3.41Å
69R75.9Confident72Confident170 Ų170106.7 Ų106.764%0.64258%0.582SS**Hα-helixtrans-58.5-30.8179.4-75.1178.3-178.8-177.50.5112.1V65 E67 L71 F72 L73V65-R69 WeakPolarHBondContact O-CG 3.29Å; V65-R69 PolarHBondContact O-N 2.89Å; E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 3.46Å; R69-L71 VanDerWaalsContact C-N 3.28Å; R69-L71 PolarHBondContact O-N 2.98Å; R69-F72 PolarHBondContact O-N 3.48Å; R69-L73 WeakPolarHBondContact O-CB 3.12Å; R69-L73 WeakPolarHBondContact O-CD1 3.12Å; R69-L73 PolarHBondContact O-N 3.3Å
70K80.3Confident70.2Confident144 Ų144107.5 Ų107.563%0.62659%0.588SS**Hα-helixtrans-68.9-25176.9-60.5-179.7178.6-177.90113.1E67 R68E67-K70 WeakPolarHBondContact O-CB 3.48Å; E67-K70 PolarHBondContact O-N 2.99Å; R68-K70 PolarHBondContact O-N 3.35Å
71L76.3Confident68.4Low100 Ų100112 Ų11252%0.52461%0.612SS.*Hα-helixtrans-73.3-33.5176.3-58.9175.6000111.7F60 L63 R68 R69F60-L71 HydrophobicContact CB-CD1 3.41Å; F60-L71 VanDerWaalsContact CB-CD1 3.41Å; F60-L71 HydrophobicContact CG-CD1 4.27Å; L63-L71 HydrophobicContact CD1-CD1 3.83Å; R68-L71 WeakPolarHBondContact O-CB 3.38Å; R68-L71 PolarHBondContact O-N 3.11Å; R69-L71 VanDerWaalsContact C-N 3.28Å; R69-L71 PolarHBondContact O-N 2.98Å
72F74.3Confident66.7Low149 Ų149115.1 Ų115.165%0.65463%0.626SS**Hα-helixtrans-88-25.1177.7-58.5-72.4000113.1F60 R68 R69 G74F60-F72 HydrophobicContact CD2-CZ 4.34Å; F60-F72 AromaticContact CE2-CZ 3.95Å; F60-F72 HydrophobicContact CE2-CZ 3.95Å; R68-F72 WeakPolarHBondContact O-CD2 3.41Å; R69-F72 PolarHBondContact O-N 3.48Å; F72-G74 PolarHBondContact O-N 2.92Å
73L67.2Low64.4Low128 Ų128118.7 Ų118.767%0.6763%0.628SS**SBendtrans-80.676.3166.1-85.971.8000106.9R69 G75R69-L73 WeakPolarHBondContact O-CB 3.12Å; R69-L73 WeakPolarHBondContact O-CD1 3.12Å; R69-L73 PolarHBondContact O-N 3.3Å; L73-G75 PolarHBondContact O-N 3.34Å; L73-G75 VanDerWaalsContact O-N 3.08Å
74G54.2Low62.1Low55 Ų55118.1 Ų118.157%0.56764%0.637SS**  trans-45123.5174.100000109F72 G76F72-G74 PolarHBondContact O-N 2.92Å; G74-G76 PolarHBondContact O-N 3.49Å; G74-G76 VanDerWaalsContact O-O 3.12Å
75G52.9Low59.9Low92 Ų92124 Ų12495%0.94865%0.651SS**SBendtrans-64.111.5178.900000114.1L73L73-G75 PolarHBondContact O-N 3.34Å; L73-G75 VanDerWaalsContact O-N 3.08Å
76G46.4Very low57.9Low58 Ų58127.1 Ų127.160%0.59866%0.664SS**SBendtrans-77.813116600000109.1G74G74-G76 PolarHBondContact O-N 3.49Å; G74-G76 VanDerWaalsContact O-O 3.12Å
77Q49.1Very low55.9Low175 Ų175126 Ų12682%0.81867%0.667SS**  trans-33.7130.4165.5-171172.11.200109.9
78P51.1Low53.8Low106 Ų106125.7 Ų125.769%0.68868%0.676SS**  trans-48.6132.917921.3-32.7000107.1S80P78-S80 PolarHBondContact O-N 3.45Å
79P49.3Very low52.2Low119 Ų119131.5 Ų131.577%0.77371%0.711SS**  trans-49.5111-177.317.6-29.4000106.1I81P79-I81 PolarHBondContact O-N 3.28Å
80S46.6Very low50.3Low79 Ų79128.6 Ų128.655%0.55271%0.712SS**  trans-56.5119.8175.377.40000102.3P78 Q82P78-S80 PolarHBondContact O-N 3.45Å; S80-Q82 PolarHBondContact O-N 2.97Å; S80-Q82 WeakPolarHBondContact OG-CG 3.01Å
81I44.6Very low48.1Very low147 Ų147130.2 Ų130.275%0.75472%0.724SS**  trans-67.282.7172-57.4170.9000103.1P79 R83P79-I81 PolarHBondContact O-N 3.28Å; I81-R83 HydrophobicContact CG2-CG 3.85Å; I81-R83 PolarHBondContact O-N 3.2Å
82Q43.9Very low46.6Very low164 Ų164131.2 Ų131.277%0.76674%0.736SS**  trans-5997.9155-67.8-175.1-0.700101.3S80 G84S80-Q82 PolarHBondContact O-N 2.97Å; S80-Q82 WeakPolarHBondContact OG-CG 3.01Å; Q82-G84 PolarHBondContact O-N 2.84Å
83R41Very low44.8Very low220 Ų220135 Ų13583%0.8375%0.746SS**  trans-65.248.4156.9-70.1-174.9172.1-128.43107.8I81 Y85I81-R83 HydrophobicContact CG2-CG 3.85Å; I81-R83 PolarHBondContact O-N 3.2Å; R83-Y85 VanDerWaalsContact C-N 3.28Å; R83-Y85 WeakPolarHBondContact O-CD2 3.29Å; R83-Y85 PolarHBondContact O-N 3.41Å
84G35.9Very low43.3Very low49 Ų49138 Ų13851%0.50575%0.754SS.*  trans-74.893.7157.500000104.7Q82 L86Q82-G84 PolarHBondContact O-N 2.84Å; G84-L86 PolarHBondContact O-N 3.33Å
85Y41.7Very low42.6Very low201 Ų201146.3 Ų146.379%0.78877%0.768SS**SBendtrans-12.6107.1144.8-56.7-94.7000110.7R83R83-Y85 VanDerWaalsContact C-N 3.28Å; R83-Y85 WeakPolarHBondContact O-CD2 3.29Å; R83-Y85 PolarHBondContact O-N 3.41Å
86L38.8Very low41.7Very low149 Ų149147.8 Ų147.878%0.7875%0.754SS**  trans172.1-2.3150.8-92.9152.8000117G84G84-L86 PolarHBondContact O-N 3.33Å
87H39.6Very low41.2Very low182 Ų182152.9 Ų152.984%0.84377%0.768SS**  trans-11927.5-179.5-59.994.4000115.7L89H87-L89 PolarHBondContact O-N 2.87Å
88S38.4Very low40.8Very low89 Ų89150.1 Ų150.162%0.62276%0.763SS**  trans-73.7119.1156.758.50000107.9T90S88-T90 PolarHBondContact O-N 3.12Å
89L48.2Very low39.9Very low186 Ų186151.8 Ų151.897%0.97477%0.766SS**SBendtrans-61.517.7170.8-70.1167.1000113.7H87H87-L89 PolarHBondContact O-N 2.87Å
90T35.8Very low39.1Very low108 Ų108152.8 Ų152.866%0.66376%0.764SS**SBendtrans-113.2110.1177.7-44.90000106.5S88S88-T90 PolarHBondContact O-N 3.12Å
91M35.7Very low38.7Very low178 Ų178157.4 Ų157.488%0.87778%0.775SS**  trans-47129.4-179.7-70.6-120.9166.100111R93M91-R93 PolarHBondContact O-N 3.13Å
92P44.6Very low38.3Very low122 Ų122159 Ų15979%0.79278%0.779SS**  trans-60.1115.1179-12.921.5000109.8K94P92-K94 PolarHBondContact O-N 2.71Å
93R36.4Very low37.9Very low229 Ų229158.1 Ų158.186%0.86478%0.779SS**  trans-62.4117.6168.7177179.9-88.4172.6-7.2107.4M91 R95M91-R93 PolarHBondContact O-N 3.13Å; R93-R95 PolarHBondContact O-N 3.05Å
94K34.9Very low37.8Very low191 Ų191157.9 Ų157.983%0.8378%0.778SS**  trans-46102.9173.9-164.3-177.7-174.7-174.80109P92P92-K94 PolarHBondContact O-N 2.71Å
95R40.7Very low38Very low228 Ų228165.8 Ų165.886%0.8680%0.795SS**  trans-86.7113.7171.1-77.6-173.8176.3-176.6-1.1105.6R93 D97R93-R95 PolarHBondContact O-N 3.05Å; R95-D97 PolarHBondContact O-N 3.32Å
96N33.5Very low37.9Very low124 Ų124164.2 Ų164.266%0.66380%0.795SS**  trans-49.9137.5169.8-70.2-15.2000109V98N96-V98 PolarHBondContact O-N 3.39Å
97D35.4Very low37.9Very low164 Ų164163.2 Ų163.288%0.87780%0.795SS**  trans-63.178-178-55.3-65000110.5R95 N99R95-D97 PolarHBondContact O-N 3.32Å; D97-N99 PolarHBondContact O-N 3.02Å
98V39.8Very low37.8Very low118 Ų118162 Ų16272%0.71579%0.789SS**  trans-92.891.5172.9-174.60000107.3N96N96-V98 PolarHBondContact O-N 3.39Å
99N34.1Very low38Very low141 Ų141162.7 Ų162.775%0.75479%0.794SS**  trans58.3100.1152.7-61.7-40.5000116.7D97D97-N99 PolarHBondContact O-N 3.02Å
100N31.4Very low37.6Very low139 Ų139162 Ų16274%0.74379%0.786SS**  trans-36.1157.1141.4-80.2-18.9000111.9
101F37.7Very low37.4Very low176 Ų176167.4 Ų167.477%0.77280%0.796SS**  trans85.155.5178.8-41.1-67.2000115.8
102H36.4Very low37.2Very low182 Ų182162 Ų16284%0.84379%0.786SS**  trans-124.298.7135.2-85.771.1000107.3R104H102-R104 PolarHBondContact O-N 3.23Å
103N35.9Very low36.5Very low144 Ų144158.5 Ų158.577%0.7777%0.772SS**  trans-47.289.2161.2-64.7-34.9000107.3Y105N103-Y105 VanDerWaalsContact C-N 3.26Å; N103-Y105 PolarHBondContact O-N 3.46Å
104R37.9Very low36.6Very low215 Ų215154 Ų15481%0.81177%0.77SS**  trans-65.3104.6163.5-84.3-175.6-1701626.1103.4H102 E106H102-R104 PolarHBondContact O-N 3.23Å; R104-E106 PolarHBondContact O-N 3.31Å
105Y41.2Very low36.8Very low216 Ų216149.1 Ų149.185%0.84775%0.753SS**  trans-25.8108.8159.8-65.4-83.4000107.6N103 T107N103-Y105 VanDerWaalsContact C-N 3.26Å; N103-Y105 PolarHBondContact O-N 3.46Å; Y105-T107 PolarHBondContact O-N 3.24Å
106E40.1Very low36.9Very low168 Ų168145.1 Ų145.179%0.78575%0.749SS**  trans-51.4100.7166.4-70.1174.116100104.2R104 Q108R104-E106 PolarHBondContact O-N 3.31Å; E106-Q108 PolarHBondContact O-N 3.4Å
107T38.1Very low37.5Very low127 Ų127144.5 Ų144.578%0.77975%0.745SS**  trans-6491.5160.248.60000102.3Y105 S109Y105-T107 PolarHBondContact O-N 3.24Å; T107-S109 PolarHBondContact O-N 3.23Å
108Q38Very low37.8Very low157 Ų157145.2 Ų145.273%0.73474%0.741SS**  trans-57.588.3160.9-64.2-166.8400103.9E106 E110E106-Q108 PolarHBondContact O-N 3.4Å; Q108-E110 PolarHBondContact O-N 3.48Å
109S42.7Very low37.7Very low103 Ų103141.9 Ų141.972%0.7273%0.73SS**  trans-5999.6159.8490000102.4T107 Y111T107-S109 PolarHBondContact O-N 3.23Å; S109-Y111 VanDerWaalsContact C-N 3.26Å; S109-Y111 PolarHBondContact O-N 3.09Å
110E40.1Very low38Very low173 Ų173147.1 Ų147.181%0.80874%0.74SS**  trans-47.5104.7176.1-75176.417700106.2Q108Q108-E110 PolarHBondContact O-N 3.48Å
111Y30.8Very low38.4Very low220 Ų220148 Ų14886%0.86374%0.744SS**  trans-49.8135.7175.7-177.6-95.9000107S109 G113S109-Y111 VanDerWaalsContact C-N 3.26Å; S109-Y111 PolarHBondContact O-N 3.09Å; Y111-G113 VanDerWaalsContact C-N 3.28Å; Y111-G113 PolarHBondContact O-N 3.37Å
112G31.8Very low38.5Very low66 Ų66142.4 Ų142.468%0.6873%0.731SS**  trans-32.390-178.600000112.7T114G112-T114 PolarHBondContact O-N 2.83Å
113G30.1Very low38.7Very low47 Ų47139 Ų13949%0.48573%0.725SS.*  trans-66122.616300000104.6Y111 D115Y111-G113 VanDerWaalsContact C-N 3.28Å; Y111-G113 PolarHBondContact O-N 3.37Å; G113-D115 WeakPolarHBondContact CA-OD1 3.45Å; G113-D115 PolarHBondContact O-N 3.01Å
114T38Very low38.9Very low135 Ų135136.7 Ų136.783%0.82871%0.712SS**  trans-7035.1157.841.80000110G112 N116G112-T114 PolarHBondContact O-N 2.83Å; T114-N116 PolarHBondContact O-N 2.88Å
115D39.8Very low38.7Very low88 Ų88130.4 Ų130.447%0.47170%0.697SS.*  trans-75.9105.417058.6-36.4000106.6G113 N117G113-D115 WeakPolarHBondContact CA-OD1 3.45Å; G113-D115 PolarHBondContact O-N 3.01Å; D115-N117 PolarHBondContact O-N 2.98Å
116N41.9Very low38.3Very low144 Ų144122.8 Ų122.877%0.7767%0.674SS**THydrogen-bonded Turntrans-58.323-179.6-65.9-50.1000115T114T114-N116 PolarHBondContact O-N 2.88Å
117N46.1Very low38.1Very low112 Ų112117.9 Ų117.960%0.59966%0.656SS**THydrogen-bonded Turntrans-108.2-12.5-176.6-74.52.7000113.8D115 G119D115-N117 PolarHBondContact O-N 2.98Å; N117-G119 PolarHBondContact O-N 3.14Å
118F42.7Very low37.9Very low178 Ų178119.8 Ų119.878%0.78165%0.649SS**SBendtrans-93.734.9166.2-72.2-79000111.9W120F118-W120 PolarHBondContact O-N 2.91Å; F118-W120 VanDerWaalsContact O-N 3.1Å
119G36.7Very low38.1Very low48 Ų48113.8 Ų113.850%0.49563%0.627SS.*  trans-56.1119.2174.600000109.4N117 D121N117-G119 PolarHBondContact O-N 3.14Å; G119-D121 PolarHBondContact O-N 3.05Å; G119-D121 VanDerWaalsContact O-N 3.16Å
120W39.8Very low37.4Very low251 Ų251117.6 Ų117.695%0.95163%0.625SS**  trans-38.2124.6160.9-68.889.4000108.3F118 A122F118-W120 PolarHBondContact O-N 2.91Å; F118-W120 VanDerWaalsContact O-N 3.1Å; W120-A122 PolarHBondContact O-N 3.13Å
121D40.5Very low37.2Very low157 Ų157114.3 Ų114.384%0.8461%0.61SS**  trans-41.4130.1-177.9-74.1-46000109.9G119G119-D121 PolarHBondContact O-N 3.05Å; G119-D121 VanDerWaalsContact O-N 3.16Å
122A40.9Very low37.4Very low60 Ų60110.1 Ų110.150%0.49660%0.602SS.*  trans-51.2142.9-173.500000110.7W120 I124W120-A122 PolarHBondContact O-N 3.13Å; A122-I124 PolarHBondContact O-N 3.26Å
123P39.7Very low37.4Very low110 Ų110115.1 Ų115.171%0.71460%0.6SS**  trans-54.3112.3-179.420.4-31.2000109.8T125P123-T125 PolarHBondContact O-N 3.25Å; P123-T125 VanDerWaalsContact O-N 3.09Å
124I40.3Very low37.6Very low96 Ų96117.9 Ų117.949%0.49261%0.613SS.*  trans-73.8104.4-178.9-49.1176.3000107.5A122 W355A122-I124 PolarHBondContact O-N 3.26Å; I124-W355 HydrophobicContact CB-CE3 4.18Å; I124-W355 HydrophobicContact CG2-CB 3.99Å; I124-W355 HydrophobicContact CG2-CD2 4.28Å; I124-W355 HydrophobicContact CG2-CE3 3.54Å; I124-W355 HydrophobicContact CG2-CZ3 4.36Å
125T33.5Very low37.4Very low82 Ų82115.4 Ų115.450%0.50360%0.597SS.*  trans-76.9125.5174.6-15.40000109.3P123 T127P123-T125 PolarHBondContact O-N 3.25Å; P123-T125 VanDerWaalsContact O-N 3.09Å; T125-T127 PolarHBondContact O-N 2.67Å
126P32.5Very low37.1Very low56 Ų56118 Ų11836%0.36461%0.611SS.*EExtended strand (participates in β ladder)trans-65124.317426.9-32.8000109.5Q353 W355P126-Q353 HydrophobicContact CB-CG 4.02Å; P126-Q353 VanDerWaalsContact CB-NE2 3.28Å; P126-W355 HydrophobicContact CB-CE3 4.16Å; P126-W355 HydrophobicContact CB-CH2 4.19Å; P126-W355 HydrophobicContact CB-CZ3 3.8Å; P126-W355 HydrophobicContact CG-CZ3 4.25Å
127T35.7Very low36.7Very low66 Ų66116.2 Ų116.241%0.40561%0.606SS.*EExtended strand (participates in β ladder)trans-110.3130.3172.522.70000109.5T125 A129 I354T125-T127 PolarHBondContact O-N 2.67Å; T127-A129 PolarHBondContact O-N 3.14Å; T127-I354 PolarHBondContact N-O 2.93Å; T127-I354 PolarHBondContact O-N 2.77Å
128W34.2Very low36.1Very low166 Ų166115.6 Ų115.663%0.62961%0.61SS**EExtended strand (participates in β ladder)trans-84.7111.6176.3-61.796.6000108.6Q353W128-Q353 HydrophobicContact CE3-CB 4.35Å; W128-Q353 HydrophobicContact CH2-CB 4.22Å; W128-Q353 HydrophobicContact CZ3-CB 3.96Å
129A42.6Very low35.3Very low32 Ų32115.2 Ų115.226%0.26461%0.611SS.*EExtended strand (participates in β ladder)trans-95.1130170.200000109T127 E131 I354T127-A129 PolarHBondContact O-N 3.14Å; A129-E131 PolarHBondContact O-N 2.71Å; A129-I354 HydrophobicContact CB-CD1 3.68Å; A129-I354 HydrophobicContact CB-CG1 4.26Å
130R28.5Very low35.1Very low183 Ų183119 Ų11969%0.69163%0.627SS**EExtended strand (participates in β ladder)trans-82.5106169.5-175.8-174.3-97.7-156.5-4107.6I349R130-I349 HydrophobicContact CG-CG2 4.28Å
131E34.6Very low34.7Very low104 Ų104112.4 Ų112.449%0.48661%0.614SS.*  trans-103.9121.8175.2-155.9179.2-152.100108.8A129 R133A129-E131 PolarHBondContact O-N 2.71Å; E131-R133 PolarHBondContact O-N 2.83Å
132N34.6Very low34.1Very low132 Ų132115 Ų11571%0.70662%0.618SS**  trans-89102.1177.6-68.4-27.1000108.7
133R31.8Very low33.5Very low170 Ų170116.2 Ų116.264%0.64262%0.622SS**PPolyproline II helixtrans-92.9119.7164.2-87.2-176.3175.3-165.2-4.7109.3E131 T135E131-R133 PolarHBondContact O-N 2.83Å; R133-T135 PolarHBondContact O-N 2.84Å
134S36Very low32.9Very low106 Ų106122.7 Ų122.774%0.74163%0.633SS**PPolyproline II helixtrans-71122.216065.20000107.4
135T33.7Very low32.3Very low83 Ų83122.2 Ų122.251%0.50964%0.638SS.*PPolyproline II helixtrans-100123.516651.50000106.5R133 T137R133-T135 PolarHBondContact O-N 2.84Å; T135-T137 PolarHBondContact O-N 2.86Å
136N32.3Very low32Very low143 Ų143123.6 Ų123.677%0.76565%0.646SS**  trans-72.3111.1166.5-74.4-19.3000106.5S138N136-S138 PolarHBondContact O-N 3.41Å
137T34.8Very low31.9Very low106 Ų106129.7 Ų129.765%0.6567%0.667SS**  trans-66.374.2168.5280000109.1T135T135-T137 PolarHBondContact O-N 2.86Å
138S32.7Very low31.4Very low98 Ų98131.7 Ų131.769%0.68568%0.679SS**  trans-79.4128.8147.239.10000105.6N136N136-S138 PolarHBondContact O-N 3.41Å
139E25.9Very low31.1Very low171 Ų171129.6 Ų129.680%0.79968%0.675SS**  trans-44.2144.6167.8-71.1-169.3154.100109.1V141E139-V141 PolarHBondContact O-N 3.25Å
140P32Very low30.3Very low128 Ų128132.3 Ų132.383%0.83169%0.692SS**  trans-64.185.7179.627.4-33.7000109K142P140-K142 PolarHBondContact O-N 3.46Å; P140-K142 VanDerWaalsContact O-N 3.16Å
141V30.9Very low30.1Very low111 Ų111130.1 Ų130.167%0.67369%0.693SS**  trans-55.3124.5155.5-1740000103.2E139 S143E139-V141 PolarHBondContact O-N 3.25Å; V141-S143 WeakPolarHBondContact CG1-OG 3.19Å; V141-S143 PolarHBondContact O-N 3.27Å
142K28.5Very low29.7Very low213 Ų213130 Ų13093%0.92670%0.704SS**  trans-65.458171.3-72.3175.6175.7176.50109.1P140 R144P140-K142 PolarHBondContact O-N 3.46Å; P140-K142 VanDerWaalsContact O-N 3.16Å; K142-R144 PolarHBondContact O-N 3.09Å
143S28.3Very low29.5Very low85 Ų85130.8 Ų130.859%0.59471%0.714SS**  trans-83.299.7173.8-65.30000105.3V141 S145V141-S143 WeakPolarHBondContact CG1-OG 3.19Å; V141-S143 PolarHBondContact O-N 3.27Å; S143-S145 PolarHBondContact O-N 2.8Å
144R27.1Very low29.4Very low246 Ų246124.9 Ų124.993%0.92871%0.706SS**  trans-44.981161.1177.7-179159.8-164.8-3.9109.3K142K142-R144 PolarHBondContact O-N 3.09Å
145S27.7Very low29.3Very low86 Ų86125.8 Ų125.860%0.60171%0.709SS**  trans-112.4104.6177.8178.60000107.3S143 K147S143-S145 PolarHBondContact O-N 2.8Å; S145-K147 VanDerWaalsContact C-N 3.33Å; S145-K147 PolarHBondContact O-N 3.45Å
146T27.5Very low29.1Very low111 Ų111127.4 Ų127.468%0.68172%0.723SS**  trans-60.795.5169.7-27.70000107.2T148T146-T148 PolarHBondContact O-N 2.76Å
147K29.9Very low29.1Very low184 Ų184129.6 Ų129.680%0.873%0.729SS**  trans-76.294.9176.4-78.4-172.5176.2-178.20108.9S145 F149S145-K147 VanDerWaalsContact C-N 3.33Å; S145-K147 PolarHBondContact O-N 3.45Å; K147-F149 PolarHBondContact O-N 3.35Å
148T24.9Very low28.7Very low107 Ų107133.8 Ų133.866%0.65674%0.738SS**PPolyproline II helixtrans-69.8123.4167.3-40.80000108.5T146T146-T148 PolarHBondContact O-N 2.76Å
149F29.7Very low28.5Very low122 Ų122134.4 Ų134.454%0.53574%0.743SS.*PPolyproline II helixtrans-100.6125.2167.450.1-88000108.4K147 L151K147-F149 PolarHBondContact O-N 3.35Å; F149-L151 HydrophobicContact CD2-CD1 4.09Å; F149-L151 HydrophobicContact CE2-CD1 4.11Å
150S25.1Very low28.6Very low89 Ų89136.1 Ų136.162%0.62275%0.748SS**PPolyproline II helixtrans-93116.9172.944.20000109S152S150-S152 PolarHBondContact O-N 2.93Å
151L24.7Very low28.3Very low137 Ų137138.2 Ų138.272%0.71775%0.746SS**  trans-78100.2166.2-76119.2000108.1F149 T153F149-L151 HydrophobicContact CD2-CD1 4.09Å; F149-L151 HydrophobicContact CE2-CD1 4.11Å; L151-T153 PolarHBondContact O-N 2.94Å
152S26.6Very low28Very low103 Ų103140 Ų14072%0.7275%0.747SS**  trans-85.2106.6168.962.40000109.2S150 G154S150-S152 PolarHBondContact O-N 2.93Å; S152-G154 PolarHBondContact O-N 3.09Å; S152-G154 VanDerWaalsContact O-N 3.09Å
153T29.4Very low27.8Very low148 Ų148137.8 Ų137.891%0.90874%0.741SS**  trans-81.861.6162.754.30000108.6L151L151-T153 PolarHBondContact O-N 2.94Å
154G30.2Very low27.7Very low46 Ų46141.8 Ų141.847%0.47475%0.747SS.*  trans-113.3136.3172.600000108.8S152 S156S152-G154 PolarHBondContact O-N 3.09Å; S152-G154 VanDerWaalsContact O-N 3.09Å; G154-S156 PolarHBondContact O-N 3.2Å
155P33.3Very low27.7Very low125 Ų125134.8 Ų134.881%0.81273%0.732SS**  trans-56.8134.9172.125.1-31.6000108.4E157P155-E157 PolarHBondContact O-N 3.12Å
156S29.7Very low27.5Very low116 Ų116139.1 Ų139.181%0.81174%0.743SS**  trans-50.8101.4-173.961.10000111.1G154 K158G154-S156 PolarHBondContact O-N 3.2Å; S156-K158 PolarHBondContact O-N 3.05Å
157E31.3Very low27.5Very low189 Ų189143.5 Ų143.588%0.88375%0.748SS**  trans-61.9121.4164.2-73.4-176.7170.900107.2P155 S159P155-E157 PolarHBondContact O-N 3.12Å; E157-S159 PolarHBondContact O-N 3.03Å; E157-S159 VanDerWaalsContact O-N 3.16Å
158K27.2Very low27.3Very low195 Ų195141.1 Ų141.185%0.84875%0.749SS**  trans-47.2123.1177.9-69.6171.2177.8175.30108.2S156 F160S156-K158 PolarHBondContact O-N 3.05Å; K158-F160 PolarHBondContact O-N 3.42Å
159S29.5Very low27.4Very low111 Ų111140.5 Ų140.578%0.77676%0.755SS**  trans-49.5109174.66.70000108.8E157 Q161E157-S159 PolarHBondContact O-N 3.03Å; E157-S159 VanDerWaalsContact O-N 3.16Å; S159-Q161 PolarHBondContact O-N 2.77Å
160F26.2Very low27.4Very low207 Ų207137.4 Ų137.491%0.90876%0.758SS**  trans-59.8104.3169.7-127.4-96.9000106.1K158 Q162K158-F160 PolarHBondContact O-N 3.42Å; F160-Q162 VanDerWaalsContact C-N 3.27Å; F160-Q162 PolarHBondContact O-N 2.89Å
161Q25.5Very low27.8Very low171 Ų171138.7 Ų138.780%0.79976%0.764SS**  trans-67.494.9171-78.7-164.9-18.700106.9S159 Q163S159-Q161 PolarHBondContact O-N 2.77Å; Q161-Q163 VanDerWaalsContact C-N 3.28Å; Q161-Q163 PolarHBondContact O-N 2.89Å
162Q25.4Very low28.3Very low148 Ų148138.4 Ų138.469%0.69277%0.77SS**  trans-66.296.9166.7-158172.514.500106.1F160 F164F160-Q162 VanDerWaalsContact C-N 3.27Å; F160-Q162 PolarHBondContact O-N 2.89Å; Q162-F164 HydrophobicContact CB-CE2 4.32Å; Q162-F164 WeakPolarHBondContact O-CD2 3.39Å; Q162-F164 PolarHBondContact O-N 3.33Å
163Q23.6Very low28.4Very low168 Ų168138.5 Ų138.579%0.78577%0.771SS**  trans-62.9100.9172.9-71.1-179.1-34.200107.3Q161 T165Q161-Q163 VanDerWaalsContact C-N 3.28Å; Q161-Q163 PolarHBondContact O-N 2.89Å; Q163-T165 VanDerWaalsContact C-N 3.33Å; Q163-T165 PolarHBondContact O-N 3.45Å; Q163-T165 VanDerWaalsContact O-N 3.08Å
164F27.7Very low28.7Very low168 Ų168136.8 Ų136.874%0.73776%0.762SS**  trans-72.996.6163.8-69.5-84.1000106.5Q162 Q166Q162-F164 HydrophobicContact CB-CE2 4.32Å; Q162-F164 WeakPolarHBondContact O-CD2 3.39Å; Q162-F164 PolarHBondContact O-N 3.33Å; F164-Q166 PolarHBondContact O-N 3.24Å
165T26.8Very low28.6Very low100 Ų100146.5 Ų146.561%0.61379%0.785SS**  trans-64.995.3164.3-40.50000106.3Q163 Y167Q163-T165 VanDerWaalsContact C-N 3.33Å; Q163-T165 PolarHBondContact O-N 3.45Å; Q163-T165 VanDerWaalsContact O-N 3.08Å; T165-Y167 VanDerWaalsContact C-N 3.33Å; T165-Y167 WeakPolarHBondContact O-CD2 3.34Å; T165-Y167 PolarHBondContact O-N 3.13Å
166Q24Very low28.5Very low176 Ų176150.6 Ų150.682%0.82279%0.785SS**  trans-7295177.4-158.4174.76.400106.3F164 V168F164-Q166 PolarHBondContact O-N 3.24Å; Q166-V168 PolarHBondContact O-N 2.82Å
167Y26.5Very low28.4Very low203 Ų203152.5 Ų152.580%0.79679%0.786SS**  trans-59.2103.5170.5-68.4-86.8000107.1T165 A169T165-Y167 VanDerWaalsContact C-N 3.33Å; T165-Y167 WeakPolarHBondContact O-CD2 3.34Å; T165-Y167 PolarHBondContact O-N 3.13Å; Y167-A169 PolarHBondContact O-N 3.19Å
168V26.1Very low28.4Very low134 Ų134151.9 Ų151.981%0.81278%0.784SS**  trans-57.9115.6168.4176.40000105.3Q166 G170Q166-V168 PolarHBondContact O-N 2.82Å; V168-G170 PolarHBondContact O-N 3.34Å
169A27.5Very low28.2Very low94 Ų94149.8 Ų149.878%0.77778%0.781SS**  trans-55.6107.9178.600000107.9Y167Y167-A169 PolarHBondContact O-N 3.19Å
170G28.9Very low28.4Very low58 Ų58150.2 Ų150.260%0.59878%0.782SS**  trans-57150.5172.500000109.8V168V168-G170 PolarHBondContact O-N 3.34Å
171P34.5Very low29Very low115 Ų115146.1 Ų146.175%0.74778%0.776SS**  trans-54.2144.7-178.321.9-32000111.1S173P171-S173 PolarHBondContact O-N 3.05Å
172P34.2Very low29.2Very low131 Ų131143.1 Ų143.185%0.85178%0.78SS**  trans-59.3109.6-172.322.5-31.9000110.1
173S28.9Very low29.6Very low106 Ų106140 Ų14074%0.74178%0.779SS**  trans-68143.3175.7-61.10000110.3P171 R175P171-S173 PolarHBondContact O-N 3.05Å; S173-R175 PolarHBondContact O-N 2.84Å
174P36.5Very low29.8Very low111 Ų111136.7 Ų136.772%0.72178%0.775SS**  trans-59.3133.4-173.7-22.432.7000112.2Y176P174-Y176 PolarHBondContact O-N 3.15Å
175R27.6Very low29.9Very low251 Ų251135 Ų13595%0.94777%0.774SS**  trans-56.996.2176.9-65.4-172.8178.6-173.6-0110.8S173S173-R175 PolarHBondContact O-N 2.84Å
176Y30.7Very low29.9Very low210 Ų210139.3 Ų139.382%0.82478%0.78SS**  trans-94.1113.6159.7-91.8-86.2000109.4P174 Q178P174-Y176 PolarHBondContact O-N 3.15Å; Y176-Q178 PolarHBondContact O-N 2.76Å
177N26.9Very low30.2Very low156 Ų156139.7 Ų139.783%0.83478%0.779SS**  trans-60.1100.8173.9-126.3-10.8000109.7
178Q31.8Very low30.2Very low177 Ų177136.4 Ų136.483%0.82778%0.776SS**  trans-145.198.3163.2-65.1-169.31400109.9Y176Y176-Q178 PolarHBondContact O-N 2.76Å
179N23.9Very low30.4Very low150 Ų150137 Ų13780%0.80277%0.774SS**  trans-67.6173.7150.1-70.9-29.1000108.6
180P33.5Very low30.6Very low121 Ų121138.8 Ų138.879%0.78678%0.775SS**  -114.6-159.1-5039.2-21.4000108.4
181P37.9Very low30.6Very low121 Ų121144.3 Ų144.379%0.78679%0.786SS**  cis-133.7178.41.239.6-18.6000116.3A183P181-A183 PolarHBondContact O-N 2.73Å
182A30.6Very low30.4Very low107 Ų107144.6 Ų144.688%0.88479%0.787SS**  trans-58115.3-178.100000114
183A32.7Very low30.2Very low82 Ų82147.2 Ų147.268%0.67879%0.785SS**  trans-105.3107.4165.100000109.1P181 N185P181-A183 PolarHBondContact O-N 2.73Å; A183-N185 PolarHBondContact O-N 2.84Å; A183-N185 VanDerWaalsContact O-N 3.11Å
184S27.7Very low30.5Very low100 Ų100147.8 Ų147.870%0.69979%0.79SS**  trans-65.3101.5164.961.70000108.8
185N31Very low30.2Very low132 Ų132148.9 Ų148.971%0.70679%0.789SS**  trans-114.9104.6168.3-82-32.2000109.8A183 F187A183-N185 PolarHBondContact O-N 2.84Å; A183-N185 VanDerWaalsContact O-N 3.11Å; N185-F187 PolarHBondContact O-N 2.96Å
186Y26.1Very low30.6Very low191 Ų191144.1 Ų144.175%0.74978%0.783SS**  trans-40.1108.9162-72.3-101000111.6
187F31.1Very low30.8Very low183 Ų183145 Ų14580%0.80378%0.784SS**  trans-111.283.2151.1-81.8-83.3000108N185 N189N185-F187 PolarHBondContact O-N 2.96Å; F187-N189 VanDerWaalsContact C-N 3.3Å; F187-N189 PolarHBondContact O-N 2.74Å
188N27.1Very low31.3Very low134 Ų134144.3 Ų144.372%0.71778%0.776SS**  trans-68.492.1161.4-89.2-39.7000107.3V190N188-V190 VanDerWaalsContact C-N 3.31Å; N188-V190 PolarHBondContact O-N 3.31Å
189N30.4Very low31.4Very low146 Ų146142.6 Ų142.678%0.78177%0.773SS**  trans-68.897.4165-77.3-13.7000107.7F187 Q191F187-N189 VanDerWaalsContact C-N 3.3Å; F187-N189 PolarHBondContact O-N 2.74Å; N189-Q191 PolarHBondContact O-N 3.29Å
190V30.7Very low31.6Very low133 Ų133144.3 Ų144.381%0.80677%0.769SS**  trans-59.599.3170.61790000107.4N188 P192N188-V190 VanDerWaalsContact C-N 3.31Å; N188-V190 PolarHBondContact O-N 3.31Å; V190-P192 WeakPolarHBondContact O-CD 3.42Å
191Q28.5Very low31.5Very low174 Ų174142.8 Ų142.881%0.81376%0.759SS**  trans-66.6122.7172.4-129.2180-4.700108N189 K193N189-Q191 PolarHBondContact O-N 3.29Å; Q191-K193 PolarHBondContact O-N 3.38Å; Q191-K193 VanDerWaalsContact O-N 3.14Å
192P30.1Very low31Very low120 Ų120144.5 Ų144.578%0.77976%0.757SS**  trans-63.8119178.422.5-30000109.7V190 S194V190-P192 WeakPolarHBondContact O-CD 3.42Å; P192-S194 PolarHBondContact O-N 2.97Å
193K31Very low30.8Very low186 Ų186149.2 Ų149.281%0.80975%0.753SS**  trans-60.398.6171.7-78174.1174172.90108.8Q191 N195Q191-K193 PolarHBondContact O-N 3.38Å; Q191-K193 VanDerWaalsContact O-N 3.14Å; K193-N195 PolarHBondContact O-N 3.41Å
194S34.3Very low30.5Very low119 Ų119149 Ų14983%0.83275%0.747SS**  trans-71.384164.450.60000109P192 N196P192-S194 PolarHBondContact O-N 2.97Å; S194-N196 PolarHBondContact O-N 3.3Å; S194-N196 VanDerWaalsContact O-N 3.09Å
195N31.7Very low30.4Very low134 Ų134147.7 Ų147.772%0.71774%0.742SS**  trans-72.489.7166.5-77.3-23.1000108.5K193K193-N195 PolarHBondContact O-N 3.41Å
196N35.3Very low30.3Very low150 Ų150145.6 Ų145.680%0.80273%0.734SS**  trans-162.575.3152.8-93.8-30.6000109.3S194 Q198S194-N196 PolarHBondContact O-N 3.3Å; S194-N196 VanDerWaalsContact O-N 3.09Å; N196-Q198 PolarHBondContact O-N 3.34Å
197R35Very low30.2Very low228 Ų228142.8 Ų142.886%0.8673%0.731SS**  trans-75.273.1168.9-67-174.2178.5-171.9-0.7109.6N199R197-N199 VanDerWaalsContact C-N 3.3Å; R197-N199 PolarHBondContact O-N 2.95Å
198Q37.2Very low29.9Very low142 Ų142141.8 Ų141.866%0.66473%0.728SS**  trans-80.292.8156.4-75.3-169.75.200106.8N196 Y200N196-Q198 PolarHBondContact O-N 3.34Å; Q198-Y200 VanDerWaalsContact C-N 3.32Å; Q198-Y200 HydrophobicContact CB-CE2 4.18Å; Q198-Y200 WeakPolarHBondContact O-CD2 3.48Å; Q198-Y200 PolarHBondContact O-N 3.41Å
199N34.1Very low30Very low142 Ų142141.8 Ų141.876%0.75973%0.733SS**  trans-63.788.6177.8-71.5-34.7000109.6R197R197-N199 VanDerWaalsContact C-N 3.3Å; R197-N199 PolarHBondContact O-N 2.95Å
200Y28.4Very low29.7Very low185 Ų185143 Ų14373%0.72573%0.734SS**  trans-72.4132.5163.6-72.4-83.4000108.6Q198 Q202Q198-Y200 VanDerWaalsContact C-N 3.32Å; Q198-Y200 HydrophobicContact CB-CE2 4.18Å; Q198-Y200 WeakPolarHBondContact O-CD2 3.48Å; Q198-Y200 PolarHBondContact O-N 3.41Å; Y200-Q202 PolarHBondContact O-N 2.71Å
201P31Very low29.7Very low89 Ų89144.5 Ų144.558%0.57873%0.732SS**  trans-63107.6174.323.2-30000109.3Y203P201-Y203 HydrophobicContact CB-CE2 4.31Å; P201-Y203 HydrophobicContact CG-CE2 4.16Å; P201-Y203 WeakPolarHBondContact O-CD2 3.4Å; P201-Y203 PolarHBondContact O-N 3.09Å
202Q28Very low29.8Very low158 Ų158142 Ų14274%0.73873%0.734SS**  trans-71.3107.9168.4-92.6-173.4-3800108.5Y200 S204Y200-Q202 PolarHBondContact O-N 2.71Å; Q202-S204 PolarHBondContact O-N 2.91Å
203Y25Very low29.7Very low205 Ų205143.8 Ų143.880%0.80473%0.731SS**  trans-78.4102.2169.1-60.7-81.2000108.8P201P201-Y203 HydrophobicContact CB-CE2 4.31Å; P201-Y203 HydrophobicContact CG-CE2 4.16Å; P201-Y203 WeakPolarHBondContact O-CD2 3.4Å; P201-Y203 PolarHBondContact O-N 3.09Å
204S27.5Very low29.8Very low78 Ų78140.3 Ų140.355%0.54573%0.731SS.*  trans-95.2117.5167.862.80000109.6Q202Q202-S204 PolarHBondContact O-N 2.91Å
205A25.3Very low29.6Very low73 Ų73142.1 Ų142.160%0.60374%0.737SS**  trans-89.9114.6168.100000108.9
206T27.6Very low29.4Very low87 Ų87138.1 Ų138.153%0.53473%0.727SS.*  trans-90112.6172.7-51.70000108.4H208T206-H208 PolarHBondContact O-N 3.22Å
207I25.8Very low29Very low132 Ų132139.2 Ų139.268%0.67773%0.733SS**  trans-87.9105.8173.5-55.9176.1000107.3V209I207-V209 PolarHBondContact O-N 3.16Å
208H24.9Very low28.8Very low163 Ų163136.1 Ų136.176%0.75573%0.732SS**  trans-75.4109168.9-84-95.5000109T206 Q210T206-H208 PolarHBondContact O-N 3.22Å; H208-Q210 PolarHBondContact O-N 3.33Å
209V28.6Very low28.4Very low133 Ų133135.5 Ų135.581%0.80674%0.738SS**  trans-75.5104.9166-174.70000106.4I207 E211I207-V209 PolarHBondContact O-N 3.16Å; V209-E211 PolarHBondContact O-N 2.73Å
210Q24.3Very low28.2Very low171 Ų171135.3 Ų135.380%0.79975%0.748SS**  trans-59.3130.7176.8-101.4-179.4-24.700110.1H208H208-Q210 PolarHBondContact O-N 3.33Å
211E29.9Very low28.2Very low165 Ų165129.8 Ų129.877%0.77175%0.747SS**  trans-57.9140173.2-76176.4160.600110.6V209 H213V209-E211 PolarHBondContact O-N 2.73Å; E211-H213 PolarHBondContact O-N 3.07Å
212S30.1Very low28.1Very low121 Ų121135.1 Ų135.185%0.84676%0.756SS**  trans-68.999.7171.3-47.70000108.2S214S212-S214 PolarHBondContact O-N 2.73Å
213H29.5Very low28.2Very low159 Ų159134.1 Ų134.174%0.73676%0.76SS**  trans-59.3129.8170-63.3-58.4000109E211 T215E211-H213 PolarHBondContact O-N 3.07Å; H213-T215 PolarHBondContact O-N 3.25Å
214S32.2Very low28.4Very low113 Ų113133 Ų13379%0.7976%0.756SS**  trans-58.5125.5171.159.90000108.5S212 G216S212-S214 PolarHBondContact O-N 2.73Å; S214-G216 PolarHBondContact O-N 2.97Å
215T29.9Very low28.5Very low156 Ų156137.2 Ų137.296%0.95777%0.772SS**  trans-63.872.8178.8-19.30000110.4H213H213-T215 PolarHBondContact O-N 3.25Å
216G27.9Very low28.7Very low51 Ų51136.1 Ų136.153%0.52677%0.768SS.*  trans-87.9120171.900000109.1S214 I218S214-G216 PolarHBondContact O-N 2.97Å; G216-I218 WeakPolarHBondContact O-CG1 3.17Å; G216-I218 PolarHBondContact O-N 3.22Å; G216-I218 VanDerWaalsContact O-N 3.14Å
217N27.7Very low28.8Very low173 Ų173139.4 Ų139.493%0.92579%0.788SS**  trans-12100.9167.3-80.6-21.9000115.4
218I30.4Very low29.1Very low162 Ų162138.1 Ų138.183%0.83179%0.791SS**  trans-121.3103.8159.5-40.5-177.1000107.9G216G216-I218 WeakPolarHBondContact O-CG1 3.17Å; G216-I218 PolarHBondContact O-N 3.22Å; G216-I218 VanDerWaalsContact O-N 3.14Å
219T28.4Very low29.5Very low130 Ų130136.1 Ų136.180%0.79879%0.791SS**  trans-45.1147.2166.326.10000113.3G221T219-G221 PolarHBondContact O-N 3.15Å
220S30.2Very low29.3Very low138 Ų138139.9 Ų139.997%0.96579%0.79SS**SBendtrans-43.6111.3177.5-165.40000113
221G28.5Very low29.7Very low68 Ų68139 Ų13970%0.70179%0.789SS**  trans-166.9110.2-179.800000113.3T219T219-G221 PolarHBondContact O-N 3.15Å
222R27.4Very low29.6Very low201 Ų201139.6 Ų139.676%0.75879%0.786SS**  trans80.396.4157.9-157.2175-104.6-147.4-2.6117.5Y224R222-Y224 HydrophobicContact CG-CD2 4.27Å; R222-Y224 HydrophobicContact CG-CE2 3.87Å; R222-Y224 PolarHBondContact NH1-OH 3.44Å; R222-Y224 PolarHBondContact O-N 3.26Å
223V30.5Very low29.7Very low138 Ų138139.5 Ų139.584%0.83678%0.783SS**PPolyproline II helixtrans-60.6116.3163.4-176.90000109.6
224Y30.7Very low29.7Very low182 Ų182138 Ų13871%0.71478%0.784SS**PPolyproline II helixtrans-98.6120.3162.9-85.7-87.2000109.5R222 G226R222-Y224 HydrophobicContact CG-CD2 4.27Å; R222-Y224 HydrophobicContact CG-CE2 3.87Å; R222-Y224 PolarHBondContact NH1-OH 3.44Å; R222-Y224 PolarHBondContact O-N 3.26Å; Y224-G226 PolarHBondContact O-N 3.1Å
225N28.4Very low29.5Very low165 Ų165140.7 Ų140.788%0.88278%0.782SS**PPolyproline II helixtrans-60.8120.5167.2-89.6-29.9000109.8
226G29.8Very low29.5Very low51 Ų51141.5 Ų141.553%0.52677%0.774SS.*SBendtrans160.199.8170.800000109.5Y224 S228Y224-G226 PolarHBondContact O-N 3.1Å; G226-S228 VanDerWaalsContact C-N 3.27Å; G226-S228 WeakPolarHBondContact O-CA 3.25Å; G226-S228 WeakPolarHBondContact O-CB 3.36Å; G226-S228 PolarHBondContact O-N 2.67Å
227T29.3Very low29.4Very low155 Ų155148.1 Ų148.195%0.95179%0.785SS**  trans6.368.8160.650.10000115
228S32.5Very low29.4Very low106 Ų106147.2 Ų147.274%0.74178%0.78SS**  trans-102109.2-177.1-169.20000107.2G226 R230G226-S228 VanDerWaalsContact C-N 3.27Å; G226-S228 WeakPolarHBondContact O-CA 3.25Å; G226-S228 WeakPolarHBondContact O-CB 3.36Å; G226-S228 PolarHBondContact O-N 2.67Å; S228-R230 PolarHBondContact O-N 3.16Å
229T32.2Very low29.3Very low121 Ų121144.7 Ų144.774%0.74278%0.777SS**  trans-45.2120.1170.6-2.70000108.9I231T229-I231 PolarHBondContact O-N 3.18Å
230R25.5Very low29.1Very low211 Ų211144 Ų14480%0.79678%0.777SS**  trans-62.7104.8172.8-81.1-179.4-147.3-165.34108.6S228 Y232S228-R230 PolarHBondContact O-N 3.16Å; R230-Y232 HydrophobicContact CB-CE2 4.42Å
231I32Very low29.1Very low152 Ų152142.6 Ų142.678%0.77977%0.768SS**  trans-85.3113.3172.2-58.3174.8000107T229T229-I231 PolarHBondContact O-N 3.18Å
232Y27.7Very low28.9Very low178 Ų178144.3 Ų144.370%0.69877%0.769SS**PPolyproline II helixtrans-80128.8173.4-64-83.6000109.5R230 V234R230-Y232 HydrophobicContact CB-CE2 4.42Å; Y232-V234 PolarHBondContact O-N 3.18Å
233P31.8Very low28.9Very low120 Ų120140.7 Ų140.778%0.77977%0.772SS**PPolyproline II helixtrans-67123.1175.325.1-31000110.2K235P233-K235 PolarHBondContact O-N 2.79Å
234V29.6Very low28.9Very low128 Ų128140.6 Ų140.678%0.77677%0.771SS**PPolyproline II helixtrans-70.1116.6173.8176.20000108.4Y232 Q236Y232-V234 PolarHBondContact O-N 3.18Å; V234-Q236 PolarHBondContact O-N 3.28Å
235K29.4Very low28.6Very low169 Ų169142.5 Ų142.574%0.73578%0.777SS**  trans-65.8105.8171-69.4-176179.3-176.90108.7P233 Y237P233-K235 PolarHBondContact O-N 2.79Å; K235-Y237 PolarHBondContact O-N 3.19Å
236Q28.4Very low28.6Very low172 Ų172140.1 Ų140.180%0.80477%0.77SS**  trans-76.2115.8172-66.5-178.1-7.100108.5V234V234-Q236 PolarHBondContact O-N 3.28Å
237Y27.7Very low28.6Very low190 Ų190145.3 Ų145.375%0.74578%0.784SS**  trans-82.8114.9169.6-64.6-82.9000108.1K235 S239K235-Y237 PolarHBondContact O-N 3.19Å; Y237-S239 PolarHBondContact O-N 2.96Å
238N27.2Very low28.5Very low154 Ų154143.1 Ų143.182%0.82477%0.771SS**  trans-70.395.9168.5-80.8-19000108.5S240N238-S240 PolarHBondContact O-N 3.22Å; N238-S240 VanDerWaalsContact O-N 3.13Å
239S27.6Very low28.5Very low110 Ų110144.1 Ų144.177%0.76978%0.775SS**  trans-77.693169.3-57.80000108.6Y237 S241Y237-S239 PolarHBondContact O-N 2.96Å; S239-S241 PolarHBondContact O-N 2.71Å
240S25.4Very low28.5Very low115 Ų115143.1 Ų143.180%0.80477%0.773SS**  trans-68.297.2167530000108.8N238N238-S240 PolarHBondContact O-N 3.22Å; N238-S240 VanDerWaalsContact O-N 3.13Å
241S28.5Very low28.7Very low109 Ų109137.1 Ų137.176%0.76276%0.763SS**PPolyproline II helixtrans-78.8116166.158.20000108.6S239S239-S241 PolarHBondContact O-N 2.71Å
242S25.2Very low28.5Very low103 Ų103137 Ų13772%0.7277%0.77SS**PPolyproline II helixtrans-56.6138.8168.9-64.30000109.8V244S242-V244 PolarHBondContact O-N 2.74Å; S242-V244 VanDerWaalsContact O-N 3.13Å
243P27.9Very low28.4Very low126 Ų126138 Ų13882%0.81877%0.773SS**PPolyproline II helixtrans-59.8118.8-177.722-31.1000109.9R245P243-R245 PolarHBondContact O-N 2.88Å
244V29.2Very low28.2Very low136 Ų136136.5 Ų136.582%0.82476%0.764SS**  trans-61.7109.51741780000107S242S242-V244 PolarHBondContact O-N 2.74Å; S242-V244 VanDerWaalsContact O-N 3.13Å
245R25.8Very low27.9Very low222 Ų222135.8 Ų135.884%0.83876%0.764SS**  trans-60.4131.1173.1-112.5-179179.3-96.11.2108.1P243 I247P243-R245 PolarHBondContact O-N 2.88Å; R245-I247 PolarHBondContact O-N 2.96Å
246P27.9Very low27.8Very low114 Ų114137.6 Ų137.674%0.7477%0.768SS**  trans-60.5123.5179.321.8-30.7000109.7T248P246-T248 PolarHBondContact O-N 2.69Å; P246-T248 VanDerWaalsContact O-N 3.09Å
247I29.2Very low27.6Very low160 Ų160136 Ų13682%0.82177%0.765SS**  trans-71.6101.5171.8-58.2171.2000105.8R245R245-I247 PolarHBondContact O-N 2.96Å
248T28.5Very low27.5Very low109 Ų109131.3 Ų131.367%0.66976%0.76SS**  trans-67124.2170.538.20000108.9P246 S250P246-T248 PolarHBondContact O-N 2.69Å; P246-T248 VanDerWaalsContact O-N 3.09Å; T248-S250 PolarHBondContact O-N 3.33Å
249P31.9Very low27.5Very low128 Ų128134.4 Ų134.483%0.83176%0.762SS**  trans-66.7106.9179.124.9-30.9000109.6
250S30.9Very low27.4Very low99 Ų99135.5 Ų135.569%0.69276%0.759SS**  trans-80.4128.8172.157.10000110T248T248-S250 PolarHBondContact O-N 3.33Å
251S30.5Very low27.5Very low86 Ų86136 Ų13660%0.60176%0.762SS**  trans58.3112.4162.561.50000117.7Y253S251-Y253 PolarHBondContact O-N 2.93Å
252V28.5Very low27.6Very low150 Ų150137.2 Ų137.291%0.90976%0.759SS**  trans-36.8100.1155.8-1760000110.7
253Y26Very low28Very low199 Ų199137.6 Ų137.678%0.7876%0.761SS**  trans-94.5139.2161-98.5-90.5000108.7S251 S255S251-Y253 PolarHBondContact O-N 2.93Å; Y253-S255 PolarHBondContact O-N 2.75Å
254P26.8Very low28.3Very low88 Ų88142.6 Ų142.657%0.57176%0.764SS**  trans-64.5136.4-178.1-719.2000110.7Y256P254-Y256 HydrophobicContact CB-CE2 4.47Å; P254-Y256 VanDerWaalsContact O-CD2 3.32Å; P254-Y256 WeakPolarHBondContact O-CD2 3.36Å; P254-Y256 PolarHBondContact O-N 2.77Å
255S24Very low28.5Very low113 Ų113138.9 Ų138.979%0.7975%0.753SS**  trans-43.797.7171.9167.30000112.9Y253Y253-S255 PolarHBondContact O-N 2.75Å
256Y26Very low29.1Very low206 Ų206134.3 Ų134.381%0.80876%0.755SS**  trans-106.7115.4154.8-64.2-77.7000108.7P254P254-Y256 HydrophobicContact CB-CE2 4.47Å; P254-Y256 VanDerWaalsContact O-CD2 3.32Å; P254-Y256 WeakPolarHBondContact O-CD2 3.36Å; P254-Y256 PolarHBondContact O-N 2.77Å
257N25.5Very low29.5Very low139 Ų139131.6 Ų131.674%0.74375%0.748SS**  trans-13.2129.2166.7-72-51.8000117.4
258S25.3Very low29.7Very low91 Ų91135.1 Ų135.164%0.63675%0.751SS**  49.195.2125.8-47.60000116.5
259Y26.2Very low30.3Very low220 Ų220136.2 Ų136.286%0.86376%0.757SS**  trans-173.9129.7130.1-84.5-65000108.1
260N26.9Very low30.6Very low132 Ų132136.2 Ų136.271%0.70675%0.754SS**  trans62.166.5160-57-27.7000117.3I262N260-I262 HydrophobicContact CB-CD1 4.33Å; N260-I262 HydrophobicContact CB-CG1 4.44Å; N260-I262 PolarHBondContact O-N 2.89Å
261S27.9Very low31.1Very low126 Ų126138.6 Ų138.688%0.88176%0.755SS**  trans-69.977.7152.8-52.40000108.9S263S261-S263 PolarHBondContact O-N 2.95Å
262I30.5Very low31.8Very low135 Ų135140 Ų14069%0.69276%0.762SS**  trans-68.390.4164.7-64.1149.3000104.7N260 R264N260-I262 HydrophobicContact CB-CD1 4.33Å; N260-I262 HydrophobicContact CB-CG1 4.44Å; N260-I262 PolarHBondContact O-N 2.89Å; I262-R264 VanDerWaalsContact C-N 3.27Å; I262-R264 PolarHBondContact O-N 2.91Å
263S32.2Very low32.4Very low110 Ų110140.2 Ų140.277%0.76976%0.757SS**  trans-58.3101167.5-164.10000105.3S261 G265S261-S263 PolarHBondContact O-N 2.95Å; S263-G265 PolarHBondContact O-N 3.37Å
264R34.4Very low33.1Very low231 Ų231140.3 Ų140.387%0.87276%0.756SS**  trans-65.878.4167.5-69.8-174-178.8-158.31105.2I262 S266I262-R264 VanDerWaalsContact C-N 3.27Å; I262-R264 PolarHBondContact O-N 2.91Å; R264-S266 PolarHBondContact O-N 2.94Å; R264-S266 VanDerWaalsContact O-N 3.14Å
265G34.9Very low33.7Very low58 Ų58141.1 Ų141.160%0.59876%0.759SS**  trans-51.1126.7168.900000105.5S263 G267S263-G265 PolarHBondContact O-N 3.37Å; G265-G267 PolarHBondContact O-N 3.03Å
266S37.4Very low34.8Very low127 Ų127141.2 Ų141.289%0.88875%0.751SS**  trans-64.558165172.80000108.4R264 R268R264-S266 PolarHBondContact O-N 2.94Å; R264-S266 VanDerWaalsContact O-N 3.14Å; S266-R268 PolarHBondContact O-N 2.87Å
267G36.3Very low35.5Very low57 Ų57137 Ų13759%0.58875%0.746SS**  trans-70.7113.5172.100000105.2G265 V269G265-G267 PolarHBondContact O-N 3.03Å; G267-V269 PolarHBondContact O-N 3.09Å
268R34.4Very low36.3Very low233 Ų233139.2 Ų139.288%0.87975%0.745SS**  trans-43.3111.8167-68.5178.9175.4-137.2-1.8106.6S266 V270S266-R268 PolarHBondContact O-N 2.87Å; R268-V270 PolarHBondContact O-N 3.43Å
269V40.2Very low37.2Very low133 Ų133141 Ų14181%0.80675%0.747SS**  trans-64.495.3171.5-178.40000104.4G267 Q271G267-V269 PolarHBondContact O-N 3.09Å; V269-Q271 VanDerWaalsContact C-N 3.29Å; V269-Q271 PolarHBondContact O-N 3.2Å
270V38.7Very low38.1Very low127 Ų127135.3 Ų135.377%0.7774%0.74SS**  trans-6699.9175.7178.50000104.3R268R268-V270 PolarHBondContact O-N 3.43Å
271Q40.4Very low38.9Very low149 Ų149135.4 Ų135.470%0.69674%0.741SS**  trans-58.2132.7175.8-69-170.2-4.900107.6V269 L273V269-Q271 VanDerWaalsContact C-N 3.29Å; V269-Q271 PolarHBondContact O-N 3.2Å; Q271-L273 PolarHBondContact O-N 2.75Å
272P44.6Very low39.4Very low115 Ų115136.6 Ų136.675%0.74774%0.737SS**  trans-57135.6178.622.2-31.2000109.5R274P272-R274 PolarHBondContact O-N 2.97Å
273L42.1Very low39.8Very low155 Ų155134 Ų13481%0.81274%0.736SS**  trans-56.3113.4178.3-174.373000109.1Q271 V275Q271-L273 PolarHBondContact O-N 2.75Å; L273-V275 HydrophobicContact CD2-CG2 4.04Å; L273-V275 HydrophobicContact CG-CG2 4.19Å; L273-V275 PolarHBondContact O-N 2.9Å; L273-V275 VanDerWaalsContact O-N 3.15Å
274R40Very low40Very low202 Ų202132.7 Ų132.776%0.76273%0.727SS**  trans-73.4104.8172.9-65.9-168.6-171.4-164.72.9108.4P272P272-R274 PolarHBondContact O-N 2.97Å
275V39.7Very low40.2Very low104 Ų104128 Ų12863%0.6372%0.724SS**  trans-94.3115.1172-172.90000107.6L273 V277L273-V275 HydrophobicContact CD2-CG2 4.04Å; L273-V275 HydrophobicContact CG-CG2 4.19Å; L273-V275 PolarHBondContact O-N 2.9Å; L273-V275 VanDerWaalsContact O-N 3.15Å; V275-V277 PolarHBondContact O-N 2.97Å
276N46.6Very low40.2Very low116 Ų116131 Ų13162%0.6273%0.73SS**  trans-73.5107.1169.4-71.6-9.5000107.8Y278N276-Y278 HydrophobicContact CB-CD2 4.44Å; N276-Y278 HydrophobicContact CB-CE2 3.91Å; N276-Y278 PolarHBondContact O-N 3.09Å
277V42.2Very low40Very low116 Ų116135.4 Ų135.470%0.70373%0.729SS**  trans-79.9102168.4-176.60000106.5V275 N279V275-V277 PolarHBondContact O-N 2.97Å; V277-N279 PolarHBondContact O-N 3.07Å
278Y42.3Very low39.6Very low187 Ų187136.3 Ų136.373%0.73373%0.726SS**  trans-74.7114.2165.5-65-83.2000106.4N276 S280N276-Y278 HydrophobicContact CB-CD2 4.44Å; N276-Y278 HydrophobicContact CB-CE2 3.91Å; N276-Y278 PolarHBondContact O-N 3.09Å; Y278-S280 PolarHBondContact O-N 3.14Å
279N43.8Very low39.7Very low127 Ų127131.1 Ų131.168%0.67972%0.723SS**  trans-57.5108.9172.1-71-8.9000107.7V277 D281V277-N279 PolarHBondContact O-N 3.07Å; N279-D281 PolarHBondContact O-N 3.24Å; N279-D281 VanDerWaalsContact O-N 3.14Å
280S43.7Very low39.4Very low102 Ų102132.5 Ų132.571%0.71372%0.72SS**THydrogen-bonded Turntrans-76.317.2175.639.70000112.6Y278 N282 A283Y278-S280 PolarHBondContact O-N 3.14Å; S280-N282 PolarHBondContact O-N 3.24Å; S280-N282 VanDerWaalsContact O-N 3.13Å; S280-A283 PolarHBondContact O-N 3.13Å
281D44.3Very low39.1Very low134 Ų134136.3 Ų136.372%0.71773%0.726SS**THydrogen-bonded Turntrans-68.3-10.3179.7-60-25000112.8N279 A283N279-D281 PolarHBondContact O-N 3.24Å; N279-D281 VanDerWaalsContact O-N 3.14Å; D281-A283 PolarHBondContact O-N 3.47Å
282N38.5Very low39Very low150 Ų150138.9 Ų138.980%0.80274%0.735SS**  trans-89.546.3167.1-75.5-15000112.1S280 S284S280-N282 PolarHBondContact O-N 3.24Å; S280-N282 VanDerWaalsContact O-N 3.13Å; N282-S284 PolarHBondContact O-N 2.89Å; N282-S284 VanDerWaalsContact O-N 3.1Å
283A38.2Very low38.6Very low80 Ų80139.1 Ų139.166%0.66173%0.734SS**  trans-76.950.615100000109.4S280 D281 T285S280-A283 PolarHBondContact O-N 3.13Å; D281-A283 PolarHBondContact O-N 3.47Å; A283-T285 PolarHBondContact O-N 3.28Å; A283-T285 PolarHBondContact O-OG1 3.44Å
284S38.2Very low38.3Very low83 Ų83141.3 Ų141.358%0.5874%0.74SS**  trans-77.776.5164.574.80000107.6N282 V286N282-S284 PolarHBondContact O-N 2.89Å; N282-S284 VanDerWaalsContact O-N 3.1Å; S284-V286 VanDerWaalsContact C-N 3.25Å; S284-V286 PolarHBondContact O-N 3.03Å
285T37.1Very low38.1Very low133 Ų133136.1 Ų136.182%0.81674%0.735SS**  trans-50.299146.425.70000107A283A283-T285 PolarHBondContact O-N 3.28Å; A283-T285 PolarHBondContact O-OG1 3.44Å
286V35Very low38Very low120 Ų120136 Ų13673%0.72774%0.739SS**  trans164.281.9148177.20000105.4S284 S288S284-V286 VanDerWaalsContact C-N 3.25Å; S284-V286 PolarHBondContact O-N 3.03Å; V286-S288 VanDerWaalsContact C-N 3.27Å; V286-S288 PolarHBondContact O-N 2.98Å; V286-S288 VanDerWaalsContact O-N 3.13Å
287Y33.5Very low37.7Very low221 Ų221136.1 Ų136.187%0.86775%0.746SS**  trans-75.588.4157.3-94.4-91.6000107.4
288S28.7Very low37.6Very low75 Ų75137.8 Ų137.852%0.52475%0.751SS.*  trans-82128.4141.7-85.60000106.4V286 H290V286-S288 VanDerWaalsContact C-N 3.27Å; V286-S288 PolarHBondContact O-N 2.98Å; V286-S288 VanDerWaalsContact O-N 3.13Å; S288-H290 PolarHBondContact O-N 3.18Å
289P35.6Very low37.2Very low125 Ų125140.1 Ų140.181%0.81276%0.759SS**  trans-75.672.7-175.131.3-33.7000110.1
290H35Very low37.1Very low162 Ų162141 Ų14175%0.7576%0.763SS**  trans-90.7115.6164.7-79.2-79.6000108.2S288 K292S288-H290 PolarHBondContact O-N 3.18Å; H290-K292 PolarHBondContact O-N 3.01Å
291K32.3Very low37Very low206 Ų206141.2 Ų141.290%0.89676%0.762SS**  trans-39.5101.1167.1-74175.4171.8-179.50109.5V293K291-V293 PolarHBondContact O-N 3.05Å
292K38.2Very low37Very low204 Ų204140.1 Ų140.189%0.88777%0.765SS**  trans-77.5107.4167.4-94.6-172.8174.5-174.70107.2H290 E294H290-K292 PolarHBondContact O-N 3.01Å; K292-E294 PolarHBondContact O-N 3.08Å
293V35.8Very low37.1Very low120 Ų120137.8 Ų137.873%0.72776%0.76SS**  trans-51.7124.6167.8174.80000108.5K291 S295K291-V293 PolarHBondContact O-N 3.05Å; V293-S295 VanDerWaalsContact C-N 3.32Å; V293-S295 PolarHBondContact O-N 2.91Å
294E36.3Very low37.4Very low200 Ų200138.4 Ų138.494%0.93576%0.758SS**  trans-67.486.5171.3-74.7175.4153.200109.3K292K292-E294 PolarHBondContact O-N 3.08Å
295S35.9Very low37.7Very low93 Ų93141 Ų14165%0.6576%0.763SS**  trans-154.478167.172.80000112.1V293V293-S295 VanDerWaalsContact C-N 3.32Å; V293-S295 PolarHBondContact O-N 2.91Å
296S37.5Very low37.7Very low102 Ų102143.4 Ų143.471%0.71376%0.759SS**  trans-167102.9146.541.70000110.1N298S296-N298 PolarHBondContact O-N 3.33Å
297P39.9Very low38.3Very low119 Ų119141.5 Ų141.577%0.77375%0.749SS**  trans-79.258.5172.335-33000109.5W299P297-W299 PolarHBondContact O-N 3.41Å; P297-W299 VanDerWaalsContact O-N 3.11Å
298N39.1Very low38.7Very low151 Ų151135.7 Ų135.781%0.80775%0.747SS**  trans-86.773.2166.9-89.25.8000108.2S296 N300S296-N298 PolarHBondContact O-N 3.33Å; N298-N300 PolarHBondContact O-N 2.82Å
299W35.7Very low39.1Very low236 Ų236141.1 Ų141.189%0.89476%0.757SS**  trans-60.787.3152.8-79.992.1000106.6P297 P301P297-W299 PolarHBondContact O-N 3.41Å; P297-W299 VanDerWaalsContact O-N 3.11Å; W299-P301 WeakPolarHBondContact O-CD 3.33Å; W299-P301 VanDerWaalsContact O-N 3.09Å
300N40Very low39.7Very low145 Ų145139.2 Ų139.278%0.77575%0.745SS**  trans-64.8110.1169.1-154.61.2000105.4N298 S302N298-N300 PolarHBondContact O-N 2.82Å; N300-S302 PolarHBondContact O-N 2.91Å; N300-S302 VanDerWaalsContact O-N 3.09Å
301P41.7Very low40.1Very low106 Ų106135 Ų13569%0.68874%0.739SS**  trans-59123.1-174.423.5-31.4000107.4W299 S303W299-P301 WeakPolarHBondContact O-CD 3.33Å; W299-P301 VanDerWaalsContact O-N 3.09Å; P301-S303 PolarHBondContact O-N 2.75Å
302S44.7Very low40.6Very low111 Ų111135.4 Ų135.478%0.77674%0.736SS**  trans-44.1120.2179.6-54.70000109.2N300N300-S302 PolarHBondContact O-N 2.91Å; N300-S302 VanDerWaalsContact O-N 3.09Å
303S40.4Very low40.8Very low101 Ų101132.8 Ų132.871%0.70673%0.728SS**  trans-42.3131.3-178.8-50.20000109.8P301 I305P301-S303 PolarHBondContact O-N 2.75Å; S303-I305 PolarHBondContact O-N 2.8Å
304P45.4Very low40.9Very low94 Ų94133.8 Ų133.861%0.6173%0.73SS**  trans-53.3115.4-175.517.5-29.1000109.4Y306P304-Y306 VanDerWaalsContact C-N 3.31Å; P304-Y306 HydrophobicContact CB-CE2 4.27Å; P304-Y306 HydrophobicContact CG-CE2 3.98Å; P304-Y306 VanDerWaalsContact O-CD2 3.29Å; P304-Y306 WeakPolarHBondContact O-CD2 3.39Å; P304-Y306 PolarHBondContact O-N 2.75Å
305I43Very low41.1Very low136 Ų136133.9 Ų133.970%0.69773%0.727SS**  trans-69.993.9177-60.8170.9000105.9S303 P307S303-I305 PolarHBondContact O-N 2.8Å; I305-P307 WeakPolarHBondContact O-CD 3Å
306Y38.5Very low41.4Very low184 Ų184136.3 Ų136.372%0.72273%0.732SS**  trans-66.4123.7170.2-71.9-82.6000108P304 A308P304-Y306 VanDerWaalsContact C-N 3.31Å; P304-Y306 HydrophobicContact CB-CE2 4.27Å; P304-Y306 HydrophobicContact CG-CE2 3.98Å; P304-Y306 VanDerWaalsContact O-CD2 3.29Å; P304-Y306 WeakPolarHBondContact O-CD2 3.39Å; P304-Y306 PolarHBondContact O-N 2.75Å; Y306-A308 PolarHBondContact O-N 2.63Å
307P47.7Very low41.6Very low81 Ų81138.7 Ų138.753%0.52674%0.737SS.*  trans-5712716523.9-29.7000106.8I305 Y309I305-P307 WeakPolarHBondContact O-CD 3Å; P307-Y309 VanDerWaalsContact C-N 3.27Å; P307-Y309 HydrophobicContact CG-CE2 4.1Å; P307-Y309 WeakPolarHBondContact O-CD2 2.98Å; P307-Y309 PolarHBondContact O-N 3.18Å
308A41.2Very low41.6Very low99 Ų99141.1 Ų141.182%0.81874%0.738SS**  trans-61.397.1172.300000107.2Y306Y306-A308 PolarHBondContact O-N 2.63Å
309Y37.3Very low41.6Very low188 Ų188139.5 Ų139.574%0.73773%0.733SS**  trans-60.2131.9171.3-73.3-82.7000106.8P307 A311P307-Y309 VanDerWaalsContact C-N 3.27Å; P307-Y309 HydrophobicContact CG-CE2 4.1Å; P307-Y309 WeakPolarHBondContact O-CD2 2.98Å; P307-Y309 PolarHBondContact O-N 3.18Å; Y309-A311 PolarHBondContact O-N 2.75Å
310P47.2Very low41.8Very low86 Ų86135.3 Ų135.356%0.55873%0.728SS**  trans-53.6115.8168.7-18.529.1000107Y312 M313P310-Y312 PolarHBondContact O-N 3.39Å; P310-M313 HydrophobicContact CB-CG 4.19Å; P310-M313 HydrophobicContact CG-CG 4.43Å
311A43.7Very low41.9Very low74 Ų74135.1 Ų135.161%0.61273%0.725SS**THydrogen-bonded Turntrans-53.9129.5168.100000106.3Y309Y309-A311 PolarHBondContact O-N 2.75Å
312Y42.9Very low41.6Very low214 Ų214136.9 Ų136.984%0.83973%0.725SS**THydrogen-bonded Turntrans78.836.7174.5-39.8-75.5000118P310 D314P310-Y312 PolarHBondContact O-N 3.39Å; Y312-D314 PolarHBondContact O-N 3.45Å
313M42.1Very low41.4Very low148 Ų148136.6 Ų136.673%0.72972%0.72SS**  trans-77.2101.6152.5-72.4-74.9118.700107.8P310 K315P310-M313 HydrophobicContact CB-CG 4.19Å; P310-M313 HydrophobicContact CG-CG 4.43Å; M313-K315 PolarHBondContact O-N 2.96Å
314D39.5Very low41.6Very low142 Ų142138.9 Ų138.976%0.75972%0.724SS**  trans-48.8128170.5-74.6-36000109Y312 L316Y312-D314 PolarHBondContact O-N 3.45Å; D314-L316 PolarHBondContact O-N 3.15Å
315K39.8Very low41.2Very low201 Ų201145.2 Ų145.287%0.87474%0.735SS**  trans-66.382.2174.8-67.5-179.4-178.8-177.50107.7M313 N317M313-K315 PolarHBondContact O-N 2.96Å; K315-N317 PolarHBondContact O-N 3.11Å
316L42.1Very low41.2Very low144 Ų144148.7 Ų148.775%0.75474%0.741SS**  trans-62.4105.7166-106.6138.8000106.1D314 H318D314-L316 PolarHBondContact O-N 3.15Å; L316-H318 VanDerWaalsContact C-N 3.27Å; L316-H318 PolarHBondContact O-N 2.94Å; L316-H318 PolarHBondContact O-ND1 2.85Å
317N42Very low41.1Very low152 Ų152151 Ų15181%0.81375%0.748SS**  trans-44.293.2170.7-70.1-37.4000108.6K315 V319K315-N317 PolarHBondContact O-N 3.11Å; N317-V319 VanDerWaalsContact C-N 3.3Å; N317-V319 PolarHBondContact O-N 2.93Å
318H39.5Very low40.8Very low171 Ų171159 Ų15979%0.79277%0.768SS**  trans-71.497.1170.8-98.352.3000105.2L316 D320L316-H318 VanDerWaalsContact C-N 3.27Å; L316-H318 PolarHBondContact O-N 2.94Å; L316-H318 PolarHBondContact O-ND1 2.85Å; H318-D320 PolarHBondContact O-N 2.95Å
319V39.9Very low40.8Very low117 Ų117162.1 Ų162.171%0.70977%0.766SS**  trans-61121.3160.9176.20000105.6N317 I321N317-V319 VanDerWaalsContact C-N 3.3Å; N317-V319 PolarHBondContact O-N 2.93Å; V319-I321 HydrophobicContact CG1-CG1 4.41Å; V319-I321 PolarHBondContact O-N 3.1Å
320D39.4Very low40.9Very low147 Ų147161.3 Ų161.379%0.78677%0.769SS**  trans-61.281.3175.4-78.4-39.3000110H318 Q322H318-D320 PolarHBondContact O-N 2.95Å; D320-Q322 PolarHBondContact O-N 3.48Å
321I41Very low40.2Very low142 Ų142162.4 Ų162.473%0.72878%0.779SS**  trans-76.589167.3-56.8174.7000105.5V319V319-I321 HydrophobicContact CG1-CG1 4.41Å; V319-I321 PolarHBondContact O-N 3.1Å
322Q35.4Very low39.8Very low143 Ų143165.3 Ų165.367%0.66879%0.789SS**  trans-48.2125.3167.7-75.6-84.7-16.500108.4D320 L324D320-Q322 PolarHBondContact O-N 3.48Å; Q322-L324 PolarHBondContact O-N 3.23Å; Q322-L324 VanDerWaalsContact O-N 3.12Å
323P41.2Very low39.2Very low105 Ų105165.6 Ų165.668%0.68279%0.788SS**  trans-60.9120.9-179.622.2-30.6000108.9R325P323-R325 PolarHBondContact O-N 2.87Å
324L44.7Very low38.8Very low149 Ų149164.5 Ų164.578%0.7879%0.792SS**  trans-53.6108.6172.9-88.7109.7000108.2Q322 Y326Q322-L324 PolarHBondContact O-N 3.23Å; Q322-L324 VanDerWaalsContact O-N 3.12Å; L324-Y326 WeakPolarHBondContact O-CD2 3.47Å; L324-Y326 PolarHBondContact O-N 3.09Å
325R37.6Very low38.5Very low226 Ų226163.5 Ų163.585%0.85379%0.791SS**  trans-66.4104.5173.3-63.4-175.7-159-171.65.6107.1P323 R327P323-R325 PolarHBondContact O-N 2.87Å; R325-R327 PolarHBondContact O-N 3.3Å; R325-R327 VanDerWaalsContact O-N 3.12Å
326Y42.6Very low38.1Very low210 Ų210159.1 Ų159.182%0.82478%0.781SS**  trans-55.2116.4173.9-66.5-86.2000109.3L324L324-Y326 WeakPolarHBondContact O-CD2 3.47Å; L324-Y326 PolarHBondContact O-N 3.09Å
327R37.3Very low37.5Very low232 Ų232159 Ų15988%0.87578%0.78SS**  trans-64.2138.7172.6-83.4-172.3173.6179-1.1109.2R325 E329R325-R327 PolarHBondContact O-N 3.3Å; R325-R327 VanDerWaalsContact O-N 3.12Å; R327-E329 PolarHBondContact O-N 3.04Å
328R40.2Very low36.9Very low248 Ų248161.4 Ų161.494%0.93678%0.779SS**THydrogen-bonded Turntrans-64.610.3-167-152.8-178-166.7-179.13.4116.5
329E42.1Very low36.4Very low165 Ų165158 Ų15877%0.77177%0.774SS**THydrogen-bonded Turntrans-100.5-9.4-163.7-60.9-74149.600114R327 S331R327-E329 PolarHBondContact O-N 3.04Å; E329-S331 PolarHBondContact O-N 3.12Å; E329-S331 VanDerWaalsContact O-N 3.11Å
330Q39.1Very low36.1Very low171 Ų171157.1 Ų157.180%0.79977%0.769SS**  trans-88.788-179.6-67.5-173.5-7.600110.3V332Q330-V332 PolarHBondContact O-N 3.4Å
331S32.3Very low35.9Very low110 Ų110157.4 Ų157.477%0.76977%0.771SS**  trans-56.998.7168.952.10000110.3E329 R333E329-S331 PolarHBondContact O-N 3.12Å; E329-S331 VanDerWaalsContact O-N 3.11Å; S331-R333 PolarHBondContact O-N 2.75Å; S331-R333 VanDerWaalsContact O-N 3.1Å
332V34.6Very low35.4Very low135 Ų135156.5 Ų156.582%0.81877%0.767SS**  trans-72.9103.8177.8-177.20000108Q330Q330-V332 PolarHBondContact O-N 3.4Å
333R31.7Very low35.4Very low219 Ų219154.5 Ų154.583%0.82677%0.767SS**PPolyproline II helixtrans-64.1134.8167.4-66.1-169.8179.9-165.40.5108.5S331 V335S331-R333 PolarHBondContact O-N 2.75Å; S331-R333 VanDerWaalsContact O-N 3.1Å; R333-V335 PolarHBondContact O-N 3.06Å
334P32.8Very low35Very low125 Ų125154.6 Ų154.681%0.81277%0.766SS**PPolyproline II helixtrans-63.9118.8-179.824.5-31.6000109.7
335V32.9Very low34.6Very low121 Ų121152.5 Ų152.573%0.73376%0.759SS**PPolyproline II helixtrans-78.8122.1172.4172.80000108.1R333 I337R333-V335 PolarHBondContact O-N 3.06Å; V335-I337 PolarHBondContact O-N 3.17Å
336T32.3Very low34.5Very low110 Ų110147.3 Ų147.368%0.67575%0.749SS**  trans-68.1112.1171.6-40.80000108.7Y338T336-Y338 PolarHBondContact O-N 3.07Å
337I29.5Very low34Very low141 Ų141142.7 Ų142.772%0.72374%0.742SS**  trans-87110-179.5-52.1174.8000108V335 S339V335-I337 PolarHBondContact O-N 3.17Å; I337-S339 PolarHBondContact O-N 3.46Å
338Y28.8Very low33.9Very low202 Ų202136 Ų13679%0.79273%0.727SS**  trans-74.2105.9166-64-80.3000108.4T336 T340T336-Y338 PolarHBondContact O-N 3.07Å; Y338-T340 PolarHBondContact O-N 2.88Å; Y338-T340 VanDerWaalsContact O-N 3.1Å
339S30.1Very low33.5Very low100 Ų100128.3 Ų128.370%0.69970%0.704SS**  trans-72.695.7167.6170.70000107.9I337I337-S339 PolarHBondContact O-N 3.46Å
340T32.1Very low33.1Very low99 Ų99126.2 Ų126.261%0.60769%0.694SS**  trans-79.8122.7161.757.30000107.4Y338 N342Y338-T340 PolarHBondContact O-N 2.88Å; Y338-T340 VanDerWaalsContact O-N 3.1Å; T340-N342 PolarHBondContact O-N 3.35Å
341N35.7Very low32.8Very low152 Ų152122.4 Ų122.481%0.81368%0.683SS**  trans-67.860169.8-70.9-33.7000110.4P343N341-P343 VanDerWaalsContact O-CD 3.25Å; N341-P343 WeakPolarHBondContact O-CD 3.48Å
342N31.3Very low32.9Very low123 Ų123121.8 Ų121.866%0.65867%0.666SS**  trans-84.4110.3164.8-83.5-30.9000106.1T340 T344T340-N342 PolarHBondContact O-N 3.35Å; N342-T344 PolarHBondContact O-N 3.23Å
343P33.9Very low32.9Very low102 Ų102119.5 Ų119.566%0.66265%0.647SS**  trans-59.2104.4173.525.2-32.2000107.3N341 T345N341-P343 VanDerWaalsContact O-CD 3.25Å; N341-P343 WeakPolarHBondContact O-CD 3.48Å; P343-T345 VanDerWaalsContact C-N 3.32Å; P343-T345 PolarHBondContact O-N 2.94Å
344T33.8Very low33.3Very low106 Ų106112.2 Ų112.265%0.6562%0.623SS**  trans-67.8100.8170.61.40000104.8N342 N346N342-T344 PolarHBondContact O-N 3.23Å; T344-N346 PolarHBondContact O-N 3.02Å
345T35.7Very low33.4Very low106 Ų106113.5 Ų113.565%0.6561%0.612SS**  trans-64.985.9170.830.20000107.4P343 T347P343-T345 VanDerWaalsContact C-N 3.32Å; P343-T345 PolarHBondContact O-N 2.94Å; T345-T347 VanDerWaalsContact C-N 3.28Å; T345-T347 PolarHBondContact O-N 3.15Å
346N35.7Very low33.6Very low117 Ų117114.2 Ų114.263%0.62661%0.605SS**  trans-68.492.9171.1-75.8-33.4000107.3T344 T348T344-N346 PolarHBondContact O-N 3.02Å; N346-T348 VanDerWaalsContact C-N 3.34Å; N346-T348 PolarHBondContact O-N 2.96Å; N346-T348 PolarHBondContact O-OG1 2.87Å
347T32.8Very low33.8Very low113 Ų113113.3 Ų113.369%0.69361%0.609SS**  trans-65.196.7171.740.60000108.1T345 I349T345-T347 VanDerWaalsContact C-N 3.28Å; T345-T347 PolarHBondContact O-N 3.15Å; T347-I349 PolarHBondContact O-N 3.41Å
348T34Very low34.1Very low91 Ų91111 Ų11156%0.55860%0.597SS**  trans-79.4112.3173.8-48.90000107.2N346 E350N346-T348 VanDerWaalsContact C-N 3.34Å; N346-T348 PolarHBondContact O-N 2.96Å; N346-T348 PolarHBondContact O-OG1 2.87Å; T348-E350 PolarHBondContact O-N 3.22Å
349I32.4Very low34.7Very low87 Ų87106.4 Ų106.445%0.44659%0.592SS.*  trans-83.2101.8177.9-57.3170.8000107.4R130 T347R130-I349 HydrophobicContact CG-CG2 4.28Å; T347-I349 PolarHBondContact O-N 3.41Å
350E33.8Very low35.2Very low120 Ų120104.8 Ų104.856%0.56158%0.584SS**  trans-91.6120.4167.9-71.2-173.1175.300109.4T348T348-E350 PolarHBondContact O-N 3.22Å
351T31.6Very low35.6Very low92 Ų92108.1 Ų108.156%0.56459%0.593SS**EExtended strand (participates in β ladder)trans-87.1110.5169.445.90000109.2
352K35.5Very low35.9Very low96 Ų96108 Ų10842%0.41759%0.593SS.*EExtended strand (participates in β ladder)trans-93.9138.1167.8-71.7-177.5-180176.10109.9I354K352-I354 PolarHBondContact O-N 3.13Å
353Q34.3Very low36.1Very low88 Ų88110.3 Ų110.341%0.41159%0.592SS.*EExtended strand (participates in β ladder)trans-75.3116.7168.9-173.3174.8-4.300107.7P126 W128 W355P126-Q353 HydrophobicContact CB-CG 4.02Å; P126-Q353 VanDerWaalsContact CB-NE2 3.28Å; W128-Q353 HydrophobicContact CE3-CB 4.35Å; W128-Q353 HydrophobicContact CH2-CB 4.22Å; W128-Q353 HydrophobicContact CZ3-CB 3.96Å; Q353-W355 VanDerWaalsContact NE2-CH2 3.31Å
354I40.6Very low36.4Very low66 Ų66110 Ų11034%0.33859%0.593SS.*EExtended strand (participates in β ladder)trans-111.6133.1175-52.4-174.7000107.4T127 A129 K352T127-I354 PolarHBondContact N-O 2.93Å; T127-I354 PolarHBondContact O-N 2.77Å; A129-I354 HydrophobicContact CB-CD1 3.68Å; A129-I354 HydrophobicContact CB-CG1 4.26Å; K352-I354 PolarHBondContact O-N 3.13Å
355W34.6Very low36.8Very low152 Ų152112.7 Ų112.758%0.57660%0.603SS**EExtended strand (participates in β ladder)trans-90.6116.3175.6-58.899.6000107.9I124 P126 Q353I124-W355 HydrophobicContact CB-CE3 4.18Å; I124-W355 HydrophobicContact CG2-CB 3.99Å; I124-W355 HydrophobicContact CG2-CD2 4.28Å; I124-W355 HydrophobicContact CG2-CE3 3.54Å; I124-W355 HydrophobicContact CG2-CZ3 4.36Å; P126-W355 HydrophobicContact CB-CE3 4.16Å; P126-W355 HydrophobicContact CB-CH2 4.19Å; P126-W355 HydrophobicContact CB-CZ3 3.8Å; P126-W355 HydrophobicContact CG-CZ3 4.25Å; Q353-W355 VanDerWaalsContact NE2-CH2 3.31Å
356K37.2Very low37.1Very low136 Ų136113.2 Ų113.259%0.59161%0.606SS**  trans-107.1130.4171.4-70.7-172.1176.1-1760108.6I358K356-I358 PolarHBondContact O-N 2.76Å
357A35.3Very low37.2Very low91 Ų91115.5 Ų115.575%0.75261%0.613SS**PPolyproline II helixtrans-64131167.100000108.5
358I37.7Very low37.4Very low92 Ų92120.9 Ų120.947%0.47262%0.621SS.*PPolyproline II helixtrans-69.9125.8171-57.9173000106.3K356 A360K356-I358 PolarHBondContact O-N 2.76Å; I358-A360 PolarHBondContact O-N 2.92Å; I358-A360 VanDerWaalsContact O-N 3.13Å
359P41.3Very low37.5Very low106 Ų106121.5 Ų121.569%0.68863%0.625SS**PPolyproline II helixtrans-61.6119.3171.224.6-30.1000107.9Q361P359-Q361 VanDerWaalsContact C-N 3.3Å; P359-Q361 PolarHBondContact O-N 3.19Å
360A39Very low37.8Very low65 Ų65123.6 Ų123.654%0.53764%0.641SS.*  trans-6394.4176.400000108.6I358 N362 W363I358-A360 PolarHBondContact O-N 2.92Å; I358-A360 VanDerWaalsContact O-N 3.13Å; A360-N362 PolarHBondContact O-N 2.83Å; A360-W363 HydrophobicContact CB-CD2 4.4Å; A360-W363 HydrophobicContact CB-CG 4.11Å
361Q41.5Very low37.9Very low170 Ų170128 Ų12879%0.79465%0.653SS**THydrogen-bonded Turntrans-66.8116.7176.7-155.8151.9-5.600106.2P359P359-Q361 VanDerWaalsContact C-N 3.3Å; P359-Q361 PolarHBondContact O-N 3.19Å
362N42.7Very low38.2Very low149 Ų149129.1 Ų129.180%0.79766%0.664SS**THydrogen-bonded Turntrans97.422.7174.8-42.4-35.7000118.2A360 S364A360-N362 PolarHBondContact O-N 2.83Å; N362-S364 PolarHBondContact O-N 2.77Å
363W34.2Very low38.2Very low171 Ų171126.9 Ų126.965%0.64867%0.668SS**  trans-84.2106.4165.8-76.431.6000108.7A360 D365A360-W363 HydrophobicContact CB-CD2 4.4Å; A360-W363 HydrophobicContact CB-CG 4.11Å; W363-D365 PolarHBondContact O-N 3.21Å
364S40.7Very low38.3Very low97 Ų97129 Ų12968%0.67869%0.687SS**  trans-65.3121175.342.80000109.4N362 T366N362-S364 PolarHBondContact O-N 2.77Å; S364-T366 PolarHBondContact O-N 2.96Å
365D42.7Very low38.1Very low161 Ų161134.5 Ų134.586%0.86171%0.709SS**G310 helixtrans-63.610.8178.6-86.5-38.3000114.2W363 Q367W363-D365 PolarHBondContact O-N 3.21Å; D365-Q367 PolarHBondContact O-N 2.82Å
366T41Very low38.2Very low117 Ų117134.9 Ų134.972%0.71872%0.721SS**G310 helixtrans-86.22.5-164.2-4.50000115.7S364S364-T366 PolarHBondContact O-N 2.96Å
367Q39Very low38.1Very low165 Ų165133.4 Ų133.477%0.77172%0.723SS**G310 helixtrans-137.252.7174.3-66.2-164.73.600112.3D365 T369D365-Q367 PolarHBondContact O-N 2.82Å; Q367-T369 PolarHBondContact O-N 2.79Å
368R35.1Very low38Very low227 Ų227135 Ų13586%0.85772%0.724SS**  trans-71.967.1155.3-164.7-177.4-95.3-122.42.5108.1V370R368-V370 PolarHBondContact O-N 2.78Å
369T37.2Very low37.7Very low104 Ų104136.3 Ų136.364%0.63874%0.736SS**  trans-64.9103172.7-40.50000105.9Q367 R371Q367-T369 PolarHBondContact O-N 2.79Å; T369-R371 PolarHBondContact O-N 3.03Å
370V39.6Very low37.4Very low130 Ų130140 Ų14079%0.78874%0.741SS**  trans-64.982.3175.9-172.20000106.7R368 S372R368-V370 PolarHBondContact O-N 2.78Å; V370-S372 PolarHBondContact O-N 2.95Å; V370-S372 VanDerWaalsContact O-N 3.09Å
371R35.5Very low37Very low214 Ų214146.8 Ų146.881%0.80876%0.759SS**  trans-65.5114.7173.4-89.5-175.2169.8-124.86.4106.6T369 G373T369-R371 PolarHBondContact O-N 3.03Å; R371-G373 PolarHBondContact O-N 2.93Å
372S38.4Very low36.7Very low115 Ų115146 Ų14680%0.80476%0.759SS**  trans-64.166166.847.20000109.8V370 T374V370-S372 PolarHBondContact O-N 2.95Å; V370-S372 VanDerWaalsContact O-N 3.09Å; S372-T374 PolarHBondContact O-N 2.83Å; S372-T374 VanDerWaalsContact O-N 3.15Å
373G33.7Very low36.3Very low48 Ų48144.5 Ų144.550%0.49576%0.757SS.*  trans-67.7111.2171.200000108.4R371 F375R371-G373 PolarHBondContact O-N 2.93Å; G373-F375 PolarHBondContact O-N 2.94Å
374T36.5Very low36.3Very low134 Ų134144.6 Ų144.682%0.82277%0.77SS**  trans-57.6104.4174.1-36.30000108.1S372 I376S372-T374 PolarHBondContact O-N 2.83Å; S372-T374 VanDerWaalsContact O-N 3.15Å; T374-I376 PolarHBondContact O-N 3.35Å
375F38Very low35.9Very low181 Ų181143.3 Ų143.379%0.79477%0.772SS**  trans-61.3115.6174.8-68.2-86000107.9G373 T377G373-F375 PolarHBondContact O-N 2.94Å; F375-T377 HydrophobicContact CB-CG2 4.22Å; F375-T377 PolarHBondContact O-N 2.82Å
376I35.6Very low35.6Very low160 Ų160147.5 Ų147.582%0.82178%0.776SS**  trans-69.181.1167.1-53.2174.2000105.9T374 T378T374-I376 PolarHBondContact O-N 3.35Å; I376-T378 PolarHBondContact O-N 2.88Å; I376-T378 VanDerWaalsContact O-N 3.09Å
377T35.6Very low35.4Very low104 Ų104153.2 Ų153.264%0.63879%0.785SS**  trans-72.6103.7172.242.60000106.6F375 T379F375-T377 HydrophobicContact CB-CG2 4.22Å; F375-T377 PolarHBondContact O-N 2.82Å; T377-T379 PolarHBondContact O-N 2.85Å; T377-T379 PolarHBondContact O-OG1 2.75Å
378T32.6Very low35.5Very low126 Ų126150.5 Ų150.577%0.77378%0.782SS**  trans-69.677.4166.649.70000107.7I376 K380I376-T378 PolarHBondContact O-N 2.88Å; I376-T378 VanDerWaalsContact O-N 3.09Å; T378-K380 VanDerWaalsContact C-N 3.27Å; T378-K380 PolarHBondContact O-N 2.97Å
379T32.8Very low35.7Very low118 Ų118147.6 Ų147.672%0.72478%0.783SS**  trans-68.893.2169.419.10000106.9T377 K381T377-T379 PolarHBondContact O-N 2.85Å; T377-T379 PolarHBondContact O-OG1 2.75Å; T379-K381 PolarHBondContact O-N 3.04Å
380K33.6Very low35.9Very low185 Ų185148 Ų14880%0.80479%0.785SS**  trans-52.9112.8157.6-73.9-177.3176.8-179.60105.6T378 L382T378-K380 VanDerWaalsContact C-N 3.27Å; T378-K380 PolarHBondContact O-N 2.97Å; K380-L382 VanDerWaalsContact C-N 3.33Å; K380-L382 PolarHBondContact O-N 3.43Å
381K31.9Very low35.7Very low207 Ų207146.4 Ų146.490%0.978%0.779SS**  trans-54.599.1172.7-80.6-179.8172.7179.80107.5T379T379-K381 PolarHBondContact O-N 3.04Å
382L33.9Very low35.8Very low154 Ų154143.7 Ų143.781%0.80678%0.781SS**  trans-72.3128.9159.9-85.799.4000106.8K380 N384K380-L382 VanDerWaalsContact C-N 3.33Å; K380-L382 PolarHBondContact O-N 3.43Å; L382-N384 PolarHBondContact O-N 3.13Å
383P34.4Very low35.6Very low117 Ų117146.6 Ų146.676%0.7678%0.782SS**  trans-65.6124.9-179.925.2-31000110.2G385P383-G385 PolarHBondContact O-N 3.23Å
384N33.6Very low35.9Very low172 Ų172149.9 Ų149.992%0.9280%0.797SS**  trans41.569.7155.9-62.76.3000116.9L382L382-N384 PolarHBondContact O-N 3.13Å
385G33.6Very low36Very low70 Ų70148.7 Ų148.772%0.72279%0.794SS**  trans-120.4116.8160.900000109.4P383 R387P383-G385 PolarHBondContact O-N 3.23Å; G385-R387 PolarHBondContact O-N 2.92Å
386R35.7Very low35.8Very low249 Ų249143.5 Ų143.594%0.9479%0.792SS**  trans-45.1128179-76.5175.9171.4177-4.1111.2P388R386-P388 WeakPolarHBondContact O-CD 3.42Å
387R36.4Very low35.8Very low237 Ų237142.4 Ų142.489%0.89479%0.793SS**  trans-57.1126.7167.6-88.3-178.9171-179.1-3.5108.6G385 D389G385-R387 PolarHBondContact O-N 2.92Å; R387-D389 PolarHBondContact O-N 3.18Å
388P41Very low35.9Very low109 Ų109142 Ų14271%0.70879%0.794SS**  trans-73.4121.3162.826-24.7000108.4R386 V390R386-P388 WeakPolarHBondContact O-CD 3.42Å; P388-V390 PolarHBondContact O-N 2.89Å; P388-V390 VanDerWaalsContact O-N 3.09Å
389D40.1Very low35.9Very low165 Ų165144.8 Ų144.888%0.88280%0.799SS**  trans-59105.2163.6-87.4-41000107.8R387R387-D389 PolarHBondContact O-N 3.18Å
390V41.9Very low36.1Very low114 Ų114152 Ų15269%0.69182%0.82SS**  trans-10090.7167.6-1720000105.9P388 N392P388-V390 PolarHBondContact O-N 2.89Å; P388-V390 VanDerWaalsContact O-N 3.09Å; V390-N392 PolarHBondContact O-N 3.37Å
391S35.7Very low36.2Very low95 Ų95150.4 Ų150.466%0.66482%0.821SS**  trans-59.6109.9166.248.50000108.5E393S391-E393 PolarHBondContact O-N 3.29Å
392N36.7Very low36.4Very low157 Ų157147.4 Ų147.484%0.8482%0.817SS**  trans-71.885165.9-79.7-27.1000107.9V390 S394V390-N392 PolarHBondContact O-N 3.37Å; N392-S394 PolarHBondContact O-N 3.2Å; N392-S394 VanDerWaalsContact O-N 3.1Å
393E34.9Very low36.6Very low177 Ų177147 Ų14783%0.82782%0.818SS**  trans-68.8102.6160.8-82.8-177.5163.700107.7S391 S395S391-E393 PolarHBondContact O-N 3.29Å; E393-S395 VanDerWaalsContact C-N 3.3Å; E393-S395 PolarHBondContact O-N 3.01Å
394S39.3Very low36.7Very low116 Ų116148.8 Ų148.881%0.81182%0.821SS**  trans-6590.5166.351.50000108.7N392 G396N392-S394 PolarHBondContact O-N 3.2Å; N392-S394 VanDerWaalsContact O-N 3.1Å; S394-G396 PolarHBondContact O-N 2.88Å
395S39.3Very low36.9Very low109 Ų109147.3 Ų147.376%0.76282%0.815SS**  trans-70.785.3166.658.60000108.5E393 V397E393-S395 VanDerWaalsContact C-N 3.3Å; E393-S395 PolarHBondContact O-N 3.01Å; S395-V397 PolarHBondContact O-N 2.86Å
396G34.3Very low37.1Very low73 Ų73152.5 Ų152.575%0.75382%0.821SS**  trans-65.4113.5167.300000109S394 S398S394-G396 PolarHBondContact O-N 2.88Å; G396-S398 PolarHBondContact O-N 3.1Å
397V34.3Very low37.2Very low136 Ų136145.6 Ų145.682%0.82481%0.812SS**  trans-83.2100.8165.9-176.90000105.7S395S395-V397 PolarHBondContact O-N 2.86Å
398S37.5Very low37.3Very low97 Ų97138.5 Ų138.568%0.67881%0.806SS**  trans-78.5118.9170.8-176.80000108.1G396 F400G396-S398 PolarHBondContact O-N 3.1Å; S398-F400 PolarHBondContact O-N 2.85Å
399E32.3Very low37Very low184 Ų184141 Ų14186%0.8681%0.814SS**  trans-71.3102.9166.4-69.5178.4166.600108.3
400F37.5Very low36.7Very low269 Ų269138.8 Ų138.8100%1.1881%0.808SS**  trans-142.40155.1-92.6-69.7000109.1S398S398-F400 PolarHBondContact O-N 2.85Å

Retrieved 400 of 400 residues in 251.1 ms (Link to these results)