A0A096NR08_PAPAN Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A096NR08, Species PAPAN (Papio anubis, Olive baboon), Gene ZDHHC1, Length 486 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
1V32.1Very low33.2Very low191 Ų191160.7 Ų160.7100%1.15883%0.834SS**  0128.90174.30000108.2
2Y28.7Very low33.4Very low225 Ų225155.8 Ų155.888%0.88281%0.81SS**  trans19.9119.7175.5-73.6-83.1000122.8
3K33.4Very low34.2Very low192 Ų192152.6 Ų152.684%0.83579%0.786SS**  trans-63.1155.9146-83.6179.6171178.20110.3
4M29.6Very low35.4Very low188 Ų188146.3 Ų146.393%0.92676%0.758SS**  trans-141.1132162.5-148.2140166.900111.4
5N31.2Very low35.4Very low139 Ų139141.1 Ų141.174%0.74375%0.745SS**  trans-96.6155.3-179.2-64.5-30.9000111
6I34.5Very low35.3Very low166 Ų166138.9 Ų138.985%0.85174%0.742SS**  trans-138.192159.2-57.6-178.8000106.8
7C34Very low35.4Very low106 Ų106140.3 Ų140.372%0.71674%0.743SS**  63.594.994-73.20000114.4
8N31.8Very low35.3Very low165 Ų165142.8 Ų142.888%0.88275%0.746SS**  68.2115.287.8-98.4-9.4000116.6
9K30.4Very low35.3Very low199 Ų199141.2 Ų141.287%0.86575%0.748SS**  trans-142.7152157.7-119.1180177.3173.30108.3
10P36.9Very low35.1Very low124 Ų124141.2 Ų141.281%0.80575%0.753SS**  trans-81.4152.3-148.430.5-36.1000116.1
11S43Very low35Very low73 Ų73145.8 Ų145.851%0.5176%0.761SS.*  trans-92.1142.7178.7131.40000111.5H130S11-H130 VanDerWaalsContact CB-CE1 3.45Å; S11-H130 WeakPolarHBondContact CB-CE1 3.32Å; S11-H130 PolarHBondContact OG-CE1 3.15Å
12N35.7Very low35Very low101 Ų101143.3 Ų143.354%0.5475%0.746SS.*  trans-177.9115.6136.6-107.8-47.9000112.2
13K43.9Very low35.1Very low115 Ų115137 Ų13750%0.574%0.74SS.*  trans-123.129.2170.5-74.3-175-173166.80112.5
14T50Low35.1Very low64 Ų64133.8 Ų133.839%0.39374%0.739SS.*SBendtrans-130.1138.4-179.120.30000111.3V131T14-V131 HydrophobicContact CG2-CG2 4.13Å
15A35.3Very low35.8Very low69 Ų69130.8 Ų130.857%0.5773%0.733SS**  trans-74.5144.8166.900000109.3
16P33.6Very low35.9Very low106 Ų106128.5 Ų128.569%0.68873%0.734SS**  trans-72.4139.1-176.929.9-34.4000111
17E37.3Very low35.7Very low162 Ų162128.8 Ų128.876%0.75773%0.732SS**  trans-115.3140.7167-171.8160.9-149.600109.4
18K34Very low36Very low185 Ų185129.5 Ų129.580%0.80474%0.735SS**  trans-60135.6179.548.8-176.7174.6170.80111.5
19S34.5Very low36.1Very low113 Ų113126.9 Ų126.979%0.7973%0.729SS**  trans-71.1145.1-176.441.80000113.3
20V32.3Very low36.3Very low140 Ų140128.3 Ų128.385%0.84873%0.73SS**  trans-120.4140.7165175.50000107.4
21W32.5Very low36.1Very low239 Ų239127.9 Ų127.991%0.90573%0.727SS**  trans-72.5150.6-169.2-72.785.6000113.7
22T32Very low35.5Very low139 Ų139128.1 Ų128.185%0.85373%0.728SS**  trans-73.6146.1178.327.50000113.3
23A31.1Very low35.8Very low92 Ų92128.3 Ų128.376%0.7674%0.735SS**  trans-127.7151.516800000110.5
24P33.4Very low35.7Very low124 Ų124131.8 Ų131.881%0.80575%0.753SS**  trans-79.3169.5-173.932.9-36.1000113.9
25P43.3Very low35.3Very low125 Ų125134.4 Ų134.481%0.81276%0.764SS**  trans-95.9160.9-155.236.2-36.8000117.4
26A34.3Very low35.7Very low91 Ų91138.8 Ų138.875%0.75277%0.773SS**  trans83.9111.5156.400000120
27Q29.4Very low36.8Very low172 Ų172134.9 Ų134.980%0.80475%0.752SS**  -167.1154.6111.1-87.8-58.7-29.300108.2S29Q27-S29 PolarHBondContact O-N 3.36Å; Q27-S29 VanDerWaalsContact O-N 3.14Å
28P42.1Very low38.2Very low122 Ų122133.7 Ų133.779%0.79275%0.746SS**  trans-88.183.3-170.435.2-32.4000112.1
29S33.6Very low40.5Very low109 Ų109135 Ų13576%0.76275%0.746SS**PPolyproline II helixtrans-101.4156.6167.658.10000111.5Q27Q27-S29 PolarHBondContact O-N 3.36Å; Q27-S29 VanDerWaalsContact O-N 3.14Å
30R34.1Very low43Very low230 Ų230130.7 Ų130.787%0.86872%0.716SS**PPolyproline II helixtrans-47.7143.2-172.5-68.2171.5174.2161.7-3112.4S32R30-S32 PolarHBondContact O-N 3.42Å; R30-S32 VanDerWaalsContact O-N 3.15Å
31P31.9Very low45.8Very low115 Ų115125.3 Ų125.375%0.74768%0.68SS**PPolyproline II helixtrans-58.4122.3-179.424.6-34000110.9
32S31.6Very low48.7Very low77 Ų77121.2 Ų121.254%0.53867%0.665SS.*PPolyproline II helixtrans-56.4146.8174-59.40000110.9R30 E34 L35R30-S32 PolarHBondContact O-N 3.42Å; R30-S32 VanDerWaalsContact O-N 3.15Å; S32-E34 PolarHBondContact O-N 3.26Å; S32-L35 PolarHBondContact O-N 3.32Å
33P41.5Very low51.7Low105 Ų105116 Ų11668%0.68263%0.631SS**G310 helixtrans-56.7-24.2-177.4-2634.9000114.6L35 Q36P33-L35 VanDerWaalsContact C-N 3.26Å; P33-L35 PolarHBondContact O-N 2.66Å; P33-Q36 WeakPolarHBondContact O-CB 3.27Å; P33-Q36 WeakPolarHBondContact O-CG 3.44Å; P33-Q36 PolarHBondContact O-N 3.23Å
34E41.5Very low54.8Low188 Ų188111.6 Ų111.688%0.87960%0.595SS**G310 helixtrans-72-14.1-179.9-64.8177.9120.400114.1S32 Q36S32-E34 PolarHBondContact O-N 3.26Å; E34-Q36 VanDerWaalsContact C-N 3.31Å
35L41.2Very low57.8Low120 Ų120111.4 Ų111.463%0.62858%0.578SS**G310 helixtrans-93.218.5172.6-148.775.3000113.1S32 P33 G37 I122S32-L35 PolarHBondContact O-N 3.32Å; P33-L35 VanDerWaalsContact C-N 3.26Å; P33-L35 PolarHBondContact O-N 2.66Å; L35-G37 PolarHBondContact O-N 3.44Å; L35-I122 HydrophobicContact CD1-CD1 4.07Å; L35-I122 HydrophobicContact CD2-CD1 4.04Å; L35-I122 HydrophobicContact CG-CD1 4.07Å
36Q45.3Very low60.2Low160 Ų160106.8 Ų106.875%0.74855%0.549SS*.SBendtrans-70.299.8164.6-72.8-175.73.900109.3P33 E34 Q38P33-Q36 WeakPolarHBondContact O-CB 3.27Å; P33-Q36 WeakPolarHBondContact O-CG 3.44Å; P33-Q36 PolarHBondContact O-N 3.23Å; E34-Q36 VanDerWaalsContact C-N 3.31Å; Q36-Q38 PolarHBondContact O-N 2.81Å; Q36-Q38 VanDerWaalsContact O-N 3.16Å
37G55.8Low62.9Low24 Ų24112.9 Ų112.925%0.24755%0.553CS.*PPolyproline II helixtrans-47.3121.5-17700000111.9L35 R39 P119L35-G37 PolarHBondContact O-N 3.44Å; G37-R39 PolarHBondContact O-N 2.97Å; G37-P119 WeakPolarHBondContact O-CA 3.45Å; G37-P119 WeakPolarHBondContact O-CB 3.24Å
38Q67.9Low65.9Low138 Ų138108.7 Ų108.765%0.64554%0.541SS*.PPolyproline II helixtrans-54.6125-172.7-77.5-178.6-19.300110.8Q36 N155Q36-Q38 PolarHBondContact O-N 2.81Å; Q36-Q38 VanDerWaalsContact O-N 3.16Å; Q38-N155 WeakPolarHBondContact CB-ND2 3.48Å; Q38-N155 PolarHBondContact OE1-ND2 3.21Å
39R80.6Confident68.3Low213 Ų213104.9 Ų104.980%0.80452%0.516SS*.PPolyproline II helixtrans-63.7145.7178-66.4-176.7-178.8-177.40.2110.8G37G37-R39 PolarHBondContact O-N 2.97Å
40S87.6Confident71.3Confident22 Ų22102.1 Ų102.115%0.15449%0.491CS..PPolyproline II helixtrans-64.8135.7175.5-166.70000111.9R42 Y116 N155S40-R42 PolarHBondContact O-N 2.77Å; S40-Y116 WeakPolarHBondContact OG-CE1 3.38Å; S40-N155 VanDerWaalsContact CB-O 3.27Å; S40-N155 WeakPolarHBondContact CB-O 3.16Å; S40-N155 PolarHBondContact OG-O 3.24Å
41R91.2Very high74.3Confident27 Ų2795.4 Ų95.410%0.10248%0.477CS..  trans-85.8103.6179.6173.1170.7-69.7-76.1-0.1110N43 S46 P48 C154 K156 N169R41-N43 WeakPolarHBondContact CG-O 3.4Å; R41-S46 PolarHBondContact NH1-O 2.99Å; R41-P48 PolarHBondContact NH2-O 3.24Å; R41-C154 HydrophobicContact CB-CB 4.1Å; R41-C154 WeakPolarHBondContact CB-O 3.48Å; R41-C154 VanDerWaalsContact CD-SG 3.57Å; R41-C154 PolarHBondContact N-O 2.94Å; R41-K156 VanDerWaalsContact O-CD 3.27Å; R41-K156 WeakPolarHBondContact O-CD 3.17Å; R41-K156 VanDerWaalsContact O-CE 3.25Å; R41-K156 WeakPolarHBondContact O-CE 3.45Å; R41-K156 PolarHBondContact O-NZ 3.23Å; R41-N169 WeakPolarHBondContact CD-O 3.43Å; R41-N169 VanDerWaalsContact NH1-CG 3.33Å; R41-N169 PolarHBondContact NH1-ND2 3.03Å; R41-N169 PolarHBondContact NH1-OD1 3.24Å
42R92.9Very high77.4Confident153 Ų15392.2 Ų92.258%0.57745%0.453SS*.  trans-62.9-45.9-179.6-167.3175.3-172.8-172.83.9112.7S40 S46 D105 Y116 K156S40-R42 PolarHBondContact O-N 2.77Å; R42-S46 PolarHBondContact N-OG 2.85Å; R42-D105 HydrophobicContact CG-CB 4.39Å; R42-D105 WeakPolarHBondContact CG-OD2 3.5Å; R42-D105 IonicContact NE-OD2 2.66Å; R42-D105 WeakPolarHBondContact O-CA 3.4Å; R42-D105 WeakPolarHBondContact O-CB 3.32Å; R42-D105 VanDerWaalsContact O-OD1 3.09Å; R42-Y116 HydrophobicContact CB-CE2 4.35Å; R42-Y116 HydrophobicContact CG-CD2 4.21Å; R42-Y116 HydrophobicContact CG-CE2 3.78Å; R42-K156 PolarHBondContact O-NZ 3.43Å
43N95.6Very high80.5Confident29 Ų2989.1 Ų89.116%0.15543%0.431CS..SBendtrans-160.1-170.5179.763.113.6000111.1R41 W45 S46 S103R41-N43 WeakPolarHBondContact CG-O 3.4Å; N43-W45 PolarHBondContact O-N 2.75Å; N43-W45 VanDerWaalsContact O-N 3.1Å; N43-W45 WeakPolarHBondContact OD1-CB 3.46Å; N43-W45 PolarHBondContact OD1-N 2.7Å; N43-W45 VanDerWaalsContact OD1-N 3.12Å; N43-S46 PolarHBondContact N-OG 3.48Å; N43-S46 PolarHBondContact O-N 2.9Å; N43-S46 VanDerWaalsContact O-N 3.15Å; N43-S46 PolarHBondContact O-OG 3.35Å; N43-S46 VanDerWaalsContact O-OG 3.09Å; N43-S103 WeakPolarHBondContact CB-O 3.44Å; N43-S103 PolarHBondContact ND2-O 3.27Å
44G96.5Very high83.2Confident0 Ų088.2 Ų88.20%042%0.419CS..THydrogen-bonded Turntrans-65.2-8.8-178.800000116.2Q53 V102 L168 N169G44-Q53 PolarHBondContact O-NE2 3.03Å; G44-Q53 PolarHBondContact O-OE1 3.26Å; G44-V102 PolarHBondContact N-O 3.01Å; G44-L168 VanDerWaalsContact CA-O 3.28Å; G44-L168 WeakPolarHBondContact CA-O 3.48Å; G44-N169 WeakPolarHBondContact CA-O 3.38Å; G44-N169 PolarHBondContact O-ND2 2.87Å; G44-N169 VanDerWaalsContact O-ND2 3.14Å
45W96.6Very high85.8Confident119 Ų11982.2 Ų82.245%0.45140%0.395SS..THydrogen-bonded Turntrans-94.1-6.1176.4-55.4115.8000114.1N43 W57 L99 V102 S103N43-W45 PolarHBondContact O-N 2.75Å; N43-W45 VanDerWaalsContact O-N 3.1Å; N43-W45 WeakPolarHBondContact OD1-CB 3.46Å; N43-W45 PolarHBondContact OD1-N 2.7Å; N43-W45 VanDerWaalsContact OD1-N 3.12Å; W45-W57 AromaticContact CH2-CH2 3.55Å; W45-W57 HydrophobicContact CH2-CH2 3.55Å; W45-W57 AromaticContact CH2-CZ2 3.49Å; W45-W57 HydrophobicContact CH2-CZ2 3.49Å; W45-W57 VanDerWaalsContact CH2-CZ2 3.49Å; W45-W57 HydrophobicContact CZ2-CH2 4.5Å; W45-W57 HydrophobicContact CZ2-CZ2 4.34Å; W45-W57 HydrophobicContact CZ3-CH2 4.3Å; W45-W57 HydrophobicContact CZ3-CZ2 4.19Å; W45-L99 HydrophobicContact CH2-CD2 4.13Å; W45-L99 HydrophobicContact CZ2-CD2 4.03Å; W45-V102 HydrophobicContact CD2-CG1 3.91Å; W45-V102 HydrophobicContact CE3-CG1 4.41Å; W45-V102 HydrophobicContact CG-CG1 4.38Å; W45-V102 HydrophobicContact CH2-CG1 4.31Å; W45-V102 HydrophobicContact CZ2-CB 4.41Å; W45-V102 HydrophobicContact CZ2-CG1 3.77Å; W45-S103 PolarHBondContact NE1-OG 3.35Å
46S93.3Very high88.5Confident28 Ų2877.7 Ų77.720%0.19638%0.375CS..SBendtrans-69.1141.1179.5-47.80000110.2R41 R42 N43 P48R41-S46 PolarHBondContact NH1-O 2.99Å; R42-S46 PolarHBondContact N-OG 2.85Å; N43-S46 PolarHBondContact N-OG 3.48Å; N43-S46 PolarHBondContact O-N 2.9Å; N43-S46 VanDerWaalsContact O-N 3.15Å; N43-S46 PolarHBondContact O-OG 3.35Å; N43-S46 VanDerWaalsContact O-OG 3.09Å; S46-P48 CarbonylContact O-C 3.47Å
47W90.4Very high91Very high219 Ų21974.2 Ų74.283%0.8336%0.355SS*.SBendtrans-76.5145.7178.3-96.279.8000112.2P49W47-P49 VanDerWaalsContact CE3-CD 3.48Å; W47-P49 HydrophobicContact CH2-CG 4.08Å; W47-P49 HydrophobicContact CZ2-CG 4.18Å; W47-P49 HydrophobicContact CZ3-CG 4.32Å
48P92.5Very high93Very high85 Ų8578.1 Ų78.155%0.55237%0.37SS*.SBendcis-77.5155.2-6.831.5-34.8000113.3R41 S46 N169R41-P48 PolarHBondContact NH2-O 3.24Å; S46-P48 CarbonylContact O-C 3.47Å; P48-N169 PolarHBondContact O-ND2 3.37Å
49P93.6Very high94.3Very high41 Ų4174.1 Ų74.127%0.26635%0.352SS..PPolyproline II helixtrans-66.4142.6165.129.4-33.5000110.7W47 I54 N169W47-P49 VanDerWaalsContact CE3-CD 3.48Å; W47-P49 HydrophobicContact CH2-CG 4.08Å; W47-P49 HydrophobicContact CZ2-CG 4.18Å; W47-P49 HydrophobicContact CZ3-CG 4.32Å; P49-I54 HydrophobicContact CB-CD1 4.4Å; P49-I54 HydrophobicContact CB-CG1 4.45Å; P49-I54 HydrophobicContact CG-CD1 4.27Å; P49-N169 WeakPolarHBondContact CA-ND2 3.33Å
50H95.3Very high95.2Very high52 Ų5266.4 Ų66.424%0.24132%0.324CS..PPolyproline II helixtrans-81136175.1-172.6-81.3000109.8L52 Q53 I54 K166 N169H50-L52 VanDerWaalsContact C-N 3.27Å; H50-L52 PolarHBondContact ND1-N 3.14Å; H50-L52 PolarHBondContact O-N 3.49Å; H50-L52 VanDerWaalsContact O-N 3.11Å; H50-Q53 WeakPolarHBondContact O-CA 3.41Å; H50-Q53 WeakPolarHBondContact O-CB 3.48Å; H50-Q53 PolarHBondContact O-N 2.87Å; H50-I54 PolarHBondContact O-N 3.04Å; H50-K166 PolarHBondContact ND1-O 3.48Å; H50-N169 HydrophobicContact CB-CB 4.14Å
51P97.4Very high95.7Very high89 Ų8970.2 Ų70.258%0.57834%0.342SS*.Hα-helixtrans-53.7-38-176-30.436.1000114.8Q53 I54 V55P51-Q53 VanDerWaalsContact C-N 3.28Å; P51-Q53 PolarHBondContact O-N 3.47Å; P51-I54 WeakPolarHBondContact O-CB 3.48Å; P51-I54 PolarHBondContact O-N 2.7Å; P51-I54 VanDerWaalsContact O-N 3.1Å; P51-V55 WeakPolarHBondContact O-CG2 3.35Å; P51-V55 PolarHBondContact O-N 3.5Å
52L97.1Very high96Very high48 Ų4872.1 Ų72.125%0.25135%0.351SS..Hα-helixtrans-62.5-30175.4-64.8178.1000113.9H50 V55 A56 K166 W167H50-L52 VanDerWaalsContact C-N 3.27Å; H50-L52 PolarHBondContact ND1-N 3.14Å; H50-L52 PolarHBondContact O-N 3.49Å; H50-L52 VanDerWaalsContact O-N 3.11Å; L52-V55 PolarHBondContact O-N 2.98Å; L52-A56 PolarHBondContact O-N 2.94Å; L52-K166 HydrophobicContact CD1-CB 3.94Å; L52-K166 HydrophobicContact CD1-CD 4.2Å; L52-W167 HydrophobicContact CB-CD2 4.04Å; L52-W167 HydrophobicContact CB-CE3 3.76Å; L52-W167 HydrophobicContact CB-CH2 4.46Å; L52-W167 HydrophobicContact CB-CZ3 3.99Å; L52-W167 HydrophobicContact CD1-CZ2 4.35Å; L52-W167 HydrophobicContact CD2-CH2 3.87Å; L52-W167 HydrophobicContact CD2-CZ2 4.24Å; L52-W167 HydrophobicContact CD2-CZ3 4.09Å; L52-W167 WeakPolarHBondContact O-CZ3 3.15Å
53Q97.3Very high96.2Very high12 Ų1265.4 Ų65.46%0.05633%0.326CS..Hα-helixtrans-62.7-48.2171.4-174-174.620.500109.8G44 H50 P51 V55 A56 W57 N169G44-Q53 PolarHBondContact O-NE2 3.03Å; G44-Q53 PolarHBondContact O-OE1 3.26Å; H50-Q53 WeakPolarHBondContact O-CA 3.41Å; H50-Q53 WeakPolarHBondContact O-CB 3.48Å; H50-Q53 PolarHBondContact O-N 2.87Å; P51-Q53 VanDerWaalsContact C-N 3.28Å; P51-Q53 PolarHBondContact O-N 3.47Å; Q53-V55 VanDerWaalsContact C-N 3.32Å; Q53-V55 PolarHBondContact O-N 2.77Å; Q53-A56 PolarHBondContact O-N 2.51Å; Q53-W57 PolarHBondContact O-N 2.77Å; Q53-W57 VanDerWaalsContact O-N 3.16Å; Q53-N169 HydrophobicContact CB-CB 4.22Å; Q53-N169 VanDerWaalsContact CD-CB 3.47Å; Q53-N169 HydrophobicContact CG-CB 4.28Å; Q53-N169 PolarHBondContact OE1-ND2 3.43Å; Q53-N169 VanDerWaalsContact OE1-ND2 3.15Å
54I97.4Very high96.3Very high85 Ų8564.7 Ų64.744%0.43632%0.324SS..Hα-helixtrans-60.4-43.6177.8-54.7174.3000110.5P49 H50 P51 A56 W57 L58P49-I54 HydrophobicContact CB-CD1 4.4Å; P49-I54 HydrophobicContact CB-CG1 4.45Å; P49-I54 HydrophobicContact CG-CD1 4.27Å; H50-I54 PolarHBondContact O-N 3.04Å; P51-I54 WeakPolarHBondContact O-CB 3.48Å; P51-I54 PolarHBondContact O-N 2.7Å; P51-I54 VanDerWaalsContact O-N 3.1Å; I54-A56 PolarHBondContact O-N 3.39Å; I54-W57 PolarHBondContact O-N 2.97Å; I54-L58 HydrophobicContact CG2-CD1 4.03Å; I54-L58 HydrophobicContact CG2-CG 4.34Å; I54-L58 WeakPolarHBondContact O-CG 3.26Å; I54-L58 PolarHBondContact O-N 3.08Å
55V97.2Very high96.3Very high62 Ų6267.7 Ų67.738%0.37634%0.342SS..Hα-helixtrans-60.1-44.4176.7172.60000112.1P51 L52 Q53 W57 L58 L59 W167P51-V55 WeakPolarHBondContact O-CG2 3.35Å; P51-V55 PolarHBondContact O-N 3.5Å; L52-V55 PolarHBondContact O-N 2.98Å; Q53-V55 VanDerWaalsContact C-N 3.32Å; Q53-V55 PolarHBondContact O-N 2.77Å; V55-W57 VanDerWaalsContact C-N 3.27Å; V55-W57 PolarHBondContact O-N 2.76Å; V55-L58 PolarHBondContact O-N 3.29Å; V55-L59 HydrophobicContact CG1-CD1 3.89Å; V55-L59 HydrophobicContact CG1-CG 4.34Å; V55-L59 WeakPolarHBondContact O-CB 3.45Å; V55-L59 VanDerWaalsContact O-CG 3.3Å; V55-L59 WeakPolarHBondContact O-CG 3.46Å; V55-L59 PolarHBondContact O-N 3.39Å; V55-W167 HydrophobicContact CG1-CZ3 4.37Å
56A96.4Very high96.3Very high25 Ų2563 Ų6321%0.20733%0.326CS..Hα-helixtrans-60.1-38176.400000112.5L52 Q53 I54 Y60 W167L52-A56 PolarHBondContact O-N 2.94Å; Q53-A56 PolarHBondContact O-N 2.51Å; I54-A56 PolarHBondContact O-N 3.39Å; A56-Y60 WeakPolarHBondContact O-CB 3.31Å; A56-Y60 PolarHBondContact O-N 3.1Å; A56-W167 HydrophobicContact CB-CE3 3.93Å; A56-W167 HydrophobicContact CB-CZ3 4.35Å
57W97.8Very high96.4Very high87 Ų8761.7 Ų61.733%0.3332%0.316SS..Hα-helixtrans-71.9-40179.1-79.859.4000113W45 Q53 I54 V55 Y60 L61 H98 L99W45-W57 AromaticContact CH2-CH2 3.55Å; W45-W57 HydrophobicContact CH2-CH2 3.55Å; W45-W57 AromaticContact CH2-CZ2 3.49Å; W45-W57 HydrophobicContact CH2-CZ2 3.49Å; W45-W57 VanDerWaalsContact CH2-CZ2 3.49Å; W45-W57 HydrophobicContact CZ2-CH2 4.5Å; W45-W57 HydrophobicContact CZ2-CZ2 4.34Å; W45-W57 HydrophobicContact CZ3-CH2 4.3Å; W45-W57 HydrophobicContact CZ3-CZ2 4.19Å; Q53-W57 PolarHBondContact O-N 2.77Å; Q53-W57 VanDerWaalsContact O-N 3.16Å; I54-W57 PolarHBondContact O-N 2.97Å; V55-W57 VanDerWaalsContact C-N 3.27Å; V55-W57 PolarHBondContact O-N 2.76Å; W57-Y60 PolarHBondContact O-N 3.05Å; W57-L61 WeakPolarHBondContact O-CB 3.31Å; W57-L61 PolarHBondContact O-N 3.1Å; W57-H98 AromaticContact CD1-NE2 3.93Å; W57-H98 AromaticContact NE1-CD2 3.71Å; W57-H98 AromaticContact NE1-NE2 3.16Å; W57-H98 PolarHBondContact NE1-NE2 3.01Å; W57-H98 VanDerWaalsContact NE1-NE2 3.16Å; W57-L99 HydrophobicContact CH2-CD2 3.26Å; W57-L99 HydrophobicContact CZ2-CD2 3.52Å; W57-L99 HydrophobicContact CZ3-CD2 4.38Å
58L97.7Very high96.7Very high107 Ų10753.6 Ų53.656%0.5629%0.287SS*.Hα-helixtrans-64.4-40.9172.5-68.9173.3000111.6I54 V55 L61 F62I54-L58 HydrophobicContact CG2-CD1 4.03Å; I54-L58 HydrophobicContact CG2-CG 4.34Å; I54-L58 WeakPolarHBondContact O-CG 3.26Å; I54-L58 PolarHBondContact O-N 3.08Å; V55-L58 PolarHBondContact O-N 3.29Å; L58-L61 PolarHBondContact O-N 2.76Å; L58-F62 VanDerWaalsContact O-CB 3.29Å; L58-F62 WeakPolarHBondContact O-CB 3.5Å; L58-F62 PolarHBondContact O-N 3.43Å
59L96.8Very high96.8Very high53 Ų5349.9 Ų49.928%0.27727%0.265SS..Hα-helixtrans-63.9-44.4174.2-73.6170.8000112.1V55 F62 F63 L254V55-L59 HydrophobicContact CG1-CD1 3.89Å; V55-L59 HydrophobicContact CG1-CG 4.34Å; V55-L59 WeakPolarHBondContact O-CB 3.45Å; V55-L59 VanDerWaalsContact O-CG 3.3Å; V55-L59 WeakPolarHBondContact O-CG 3.46Å; V55-L59 PolarHBondContact O-N 3.39Å; L59-F62 PolarHBondContact O-N 3.07Å; L59-F63 HydrophobicContact CB-CE2 4.43Å; L59-F63 WeakPolarHBondContact O-CB 3.31Å; L59-F63 WeakPolarHBondContact O-CD2 3.2Å; L59-F63 WeakPolarHBondContact O-CG 3.38Å; L59-F63 PolarHBondContact O-N 3.2Å; L59-L254 HydrophobicContact CD2-CD2 3.97Å
60Y98.3Very high96.8Very high52 Ų5248.2 Ų48.220%0.20425%0.254CS..Hα-helixtrans-59.2-47.2174.8173.6-93.9000111.6A56 W57 F63 A64 F91 H94 L95A56-Y60 WeakPolarHBondContact O-CB 3.31Å; A56-Y60 PolarHBondContact O-N 3.1Å; W57-Y60 PolarHBondContact O-N 3.05Å; Y60-F63 PolarHBondContact O-N 2.84Å; Y60-A64 WeakPolarHBondContact O-CB 3.19Å; Y60-A64 PolarHBondContact O-N 2.69Å; Y60-F91 HydrophobicContact CD2-CD1 4.22Å; Y60-F91 HydrophobicContact CD2-CE1 4.43Å; Y60-F91 HydrophobicContact CE2-CB 4.41Å; Y60-F91 AromaticContact CE2-CD1 3.51Å; Y60-F91 HydrophobicContact CE2-CD1 3.51Å; Y60-F91 HydrophobicContact CE2-CE1 4.16Å; Y60-F91 HydrophobicContact CE2-CG 4.29Å; Y60-F91 AromaticContact CZ-CD1 3.91Å; Y60-F91 PolarHBondContact OH-O 3.12Å; Y60-H94 AromaticContact CD2-CD2 3.69Å; Y60-H94 AromaticContact CE2-CD2 3.75Å; Y60-L95 HydrophobicContact CE1-CD1 4.19Å
61L97.8Very high96.8Very high102 Ų10245.9 Ų45.953%0.53424%0.243SC..Hα-helixtrans-62.8-45.1177.8-179.462.9000111.5W57 L58 A64 V65W57-L61 WeakPolarHBondContact O-CB 3.31Å; W57-L61 PolarHBondContact O-N 3.1Å; L58-L61 PolarHBondContact O-N 2.76Å; L61-A64 PolarHBondContact O-N 3.23Å; L61-V65 HydrophobicContact CD1-CG2 3.92Å; L61-V65 HydrophobicContact CG-CG2 4.27Å; L61-V65 WeakPolarHBondContact O-CB 3.43Å; L61-V65 VanDerWaalsContact O-CG2 3.27Å; L61-V65 WeakPolarHBondContact O-CG2 3.41Å; L61-V65 PolarHBondContact O-N 2.99Å
62F97.4Very high96.8Very high66 Ų6641.7 Ų41.729%0.28922%0.216SC..Hα-helixtrans-56.9-52.7175.5171.2-103.9000111.4L58 L59 A64 V65 I66 L247 L251 L254L58-F62 VanDerWaalsContact O-CB 3.29Å; L58-F62 WeakPolarHBondContact O-CB 3.5Å; L58-F62 PolarHBondContact O-N 3.43Å; L59-F62 PolarHBondContact O-N 3.07Å; F62-A64 VanDerWaalsContact C-N 3.31Å; F62-A64 PolarHBondContact O-N 3.12Å; F62-V65 PolarHBondContact O-N 3.21Å; F62-I66 HydrophobicContact CD2-CG1 4.03Å; F62-I66 HydrophobicContact CE2-CD1 4.37Å; F62-I66 HydrophobicContact CE2-CG1 3.77Å; F62-I66 HydrophobicContact CZ-CG1 4.18Å; F62-I66 WeakPolarHBondContact O-CG1 3.38Å; F62-I66 PolarHBondContact O-N 3.16Å; F62-L247 HydrophobicContact CZ-CD1 4.48Å; F62-L251 HydrophobicContact CD1-CD2 4.41Å; F62-L251 HydrophobicContact CE1-CD2 3.6Å; F62-L251 HydrophobicContact CE1-CG 4.47Å; F62-L251 HydrophobicContact CZ-CD2 4.06Å; F62-L254 HydrophobicContact CD1-CD2 4.25Å; F62-L254 HydrophobicContact CE1-CD2 3.9Å
63F97.6Very high96.6Very high13 Ų1339.8 Ų39.86%0.05721%0.206CC..Hα-helixtrans-61.3-37.5178.3-71.5-43.1000113L59 Y60 G67 F91 V191 L194 L251 L254L59-F63 HydrophobicContact CB-CE2 4.43Å; L59-F63 WeakPolarHBondContact O-CB 3.31Å; L59-F63 WeakPolarHBondContact O-CD2 3.2Å; L59-F63 WeakPolarHBondContact O-CG 3.38Å; L59-F63 PolarHBondContact O-N 3.2Å; Y60-F63 PolarHBondContact O-N 2.84Å; F63-G67 WeakPolarHBondContact O-CA 3.37Å; F63-G67 PolarHBondContact O-N 2.95Å; F63-F91 HydrophobicContact CB-CE1 4.11Å; F63-F91 HydrophobicContact CB-CZ 4.16Å; F63-V191 HydrophobicContact CE2-CG2 4.27Å; F63-L194 HydrophobicContact CB-CD2 3.76Å; F63-L194 HydrophobicContact CD1-CD2 3.33Å; F63-L194 HydrophobicContact CE1-CD2 4.04Å; F63-L194 HydrophobicContact CG-CD2 3.74Å; F63-L251 HydrophobicContact CD1-CD2 3.66Å; F63-L251 HydrophobicContact CE1-CD2 3.9Å; F63-L254 HydrophobicContact CE1-CD2 3.9Å; F63-L254 HydrophobicContact CE1-CG 4.19Å; F63-L254 HydrophobicContact CZ-CD2 3.87Å; F63-L254 HydrophobicContact CZ-CG 3.87Å
64A97.6Very high96.4Very high14 Ų1439.3 Ų39.312%0.11620%0.204CC..Hα-helixtrans-66.8-50.1175.700000111.6Y60 L61 F62 I66 G67 F68 F91Y60-A64 WeakPolarHBondContact O-CB 3.19Å; Y60-A64 PolarHBondContact O-N 2.69Å; L61-A64 PolarHBondContact O-N 3.23Å; F62-A64 VanDerWaalsContact C-N 3.31Å; F62-A64 PolarHBondContact O-N 3.12Å; A64-I66 PolarHBondContact O-N 3.16Å; A64-G67 PolarHBondContact O-N 3.14Å; A64-F68 HydrophobicContact CB-CD2 4.18Å; A64-F68 HydrophobicContact CB-CE2 4.29Å; A64-F68 WeakPolarHBondContact O-CB 3.27Å; A64-F68 WeakPolarHBondContact O-CD2 3.03Å; A64-F68 PolarHBondContact O-N 3.06Å; A64-F91 HydrophobicContact CB-CD1 3.92Å; A64-F91 HydrophobicContact CB-CE1 3.94Å
65V96.3Very high96.3Very high63 Ų6335.7 Ų35.738%0.38219%0.186SC..Hα-helixtrans-60.6-47.3-178.4170.40000111.1L61 F62 G69 F231L61-V65 HydrophobicContact CD1-CG2 3.92Å; L61-V65 HydrophobicContact CG-CG2 4.27Å; L61-V65 WeakPolarHBondContact O-CB 3.43Å; L61-V65 VanDerWaalsContact O-CG2 3.27Å; L61-V65 WeakPolarHBondContact O-CG2 3.41Å; L61-V65 PolarHBondContact O-N 2.99Å; F62-V65 PolarHBondContact O-N 3.21Å; V65-G69 VanDerWaalsContact O-CA 3.25Å; V65-G69 WeakPolarHBondContact O-CA 3.49Å; V65-G69 PolarHBondContact O-N 3.28Å; V65-F231 HydrophobicContact CG1-CE1 3.95Å; V65-F231 HydrophobicContact CG1-CZ 4.09Å
66I96.2Very high96Very high20 Ų2033 Ų3310%0.10317%0.169CC..Hα-helixtrans-75.4-36.5179.8-47.6-56.8000111.5F62 A64 V70 L71 L247 L251F62-I66 HydrophobicContact CD2-CG1 4.03Å; F62-I66 HydrophobicContact CE2-CD1 4.37Å; F62-I66 HydrophobicContact CE2-CG1 3.77Å; F62-I66 HydrophobicContact CZ-CG1 4.18Å; F62-I66 WeakPolarHBondContact O-CG1 3.38Å; F62-I66 PolarHBondContact O-N 3.16Å; A64-I66 PolarHBondContact O-N 3.16Å; I66-V70 HydrophobicContact CG2-CB 3.84Å; I66-V70 HydrophobicContact CG2-CG2 3.9Å; I66-V70 WeakPolarHBondContact O-CA 3.41Å; I66-V70 VanDerWaalsContact O-CB 3.31Å; I66-V70 WeakPolarHBondContact O-CB 3.32Å; I66-V70 PolarHBondContact O-N 3.04Å; I66-L71 PolarHBondContact O-N 3Å; I66-L247 HydrophobicContact CD1-CD1 4.31Å; I66-L247 HydrophobicContact CD1-CD2 4.29Å; I66-L247 HydrophobicContact CG1-CD1 4.3Å; I66-L247 HydrophobicContact CG2-CD1 4.1Å; I66-L247 HydrophobicContact CG2-CD2 3.74Å; I66-L247 HydrophobicContact CG2-CG 3.89Å; I66-L251 HydrophobicContact CB-CD1 4.03Å; I66-L251 HydrophobicContact CG2-CD1 3.38Å; I66-L251 HydrophobicContact CG2-CG 4.37Å
67G96.4Very high95.8Very high0 Ų037.9 Ų37.90%019%0.187CC..Iπ-helixtrans-60.7-55.2176.400000112.8F63 A64 L71 V72F63-G67 WeakPolarHBondContact O-CA 3.37Å; F63-G67 PolarHBondContact O-N 2.95Å; A64-G67 PolarHBondContact O-N 3.14Å; G67-L71 PolarHBondContact O-N 3.29Å; G67-V72 WeakPolarHBondContact O-CG2 3.47Å; G67-V72 PolarHBondContact O-N 3.15Å
68F96.3Very high95.4Very high49 Ų4940.1 Ų40.122%0.21520%0.201CC..Iπ-helixtrans-81.2-27.1-177.4-64.7-62.9000114A64 P73 Y84 M87 F91A64-F68 HydrophobicContact CB-CD2 4.18Å; A64-F68 HydrophobicContact CB-CE2 4.29Å; A64-F68 WeakPolarHBondContact O-CB 3.27Å; A64-F68 WeakPolarHBondContact O-CD2 3.03Å; A64-F68 PolarHBondContact O-N 3.06Å; F68-P73 WeakPolarHBondContact O-CD 3.49Å; F68-Y84 HydrophobicContact CB-CE1 4.08Å; F68-Y84 AromaticContact CD1-CD1 3.77Å; F68-Y84 HydrophobicContact CD1-CD1 3.77Å; F68-Y84 AromaticContact CD1-CE1 3.97Å; F68-Y84 HydrophobicContact CD1-CE1 3.97Å; F68-Y84 HydrophobicContact CE1-CD1 4.48Å; F68-Y84 WeakPolarHBondContact O-CE1 3.42Å; F68-Y84 PolarHBondContact O-OH 3.01Å; F68-M87 HydrophobicContact CD1-CB 4.49Å; F68-M87 HydrophobicContact CE1-CB 3.52Å; F68-M87 HydrophobicContact CZ-CB 3.86Å; F68-F91 HydrophobicContact CE2-CB 4.06Å; F68-F91 HydrophobicContact CE2-CD1 4.08Å; F68-F91 HydrophobicContact CE2-CD2 4.38Å; F68-F91 AromaticContact CE2-CG 3.92Å; F68-F91 HydrophobicContact CE2-CG 3.92Å; F68-F91 HydrophobicContact CZ-CB 4.04Å; F68-F91 HydrophobicContact CZ-CD2 4.22Å; F68-F91 HydrophobicContact CZ-CG 4.07Å
69G94.7Very high95.3Very high8 Ų840.8 Ų40.88%0.08220%0.196CC..Iπ-helixtrans-92.4-31.6-177.800000114.7V65 F231V65-G69 VanDerWaalsContact O-CA 3.25Å; V65-G69 WeakPolarHBondContact O-CA 3.49Å; V65-G69 PolarHBondContact O-N 3.28Å; G69-F231 WeakPolarHBondContact O-CA 3.36Å; G69-F231 PolarHBondContact O-N 3.37Å
70V94.6Very high95.2Very high5 Ų539.6 Ų39.63%0.0319%0.191CC..Iπ-helixtrans-113.1-56.9-177.7-177.70000111I66 L74 V230 F231 L247I66-V70 HydrophobicContact CG2-CB 3.84Å; I66-V70 HydrophobicContact CG2-CG2 3.9Å; I66-V70 WeakPolarHBondContact O-CA 3.41Å; I66-V70 VanDerWaalsContact O-CB 3.31Å; I66-V70 WeakPolarHBondContact O-CB 3.32Å; I66-V70 PolarHBondContact O-N 3.04Å; V70-L74 HydrophobicContact CG1-CD1 4.04Å; V70-L74 WeakPolarHBondContact O-CD1 3.28Å; V70-L74 VanDerWaalsContact O-CG 3.27Å; V70-L74 WeakPolarHBondContact O-CG 3.25Å; V70-V230 HydrophobicContact CB-CG1 4.42Å; V70-V230 HydrophobicContact CG1-CG1 3.84Å; V70-V230 HydrophobicContact CG2-CB 4.17Å; V70-V230 HydrophobicContact CG2-CG1 4.21Å; V70-F231 HydrophobicContact CG2-CZ 4.43Å; V70-L247 HydrophobicContact CG1-CD2 4.31Å; V70-L247 HydrophobicContact CG2-CD2 4.18Å
71L95.4Very high95Very high3 Ų341.4 Ų41.42%0.01621%0.209CC..Iπ-helixtrans-72.4-48.4-168.3-58.9-175.3000113.7I66 G67 L74 L75 L194 V197 A198 L251I66-L71 PolarHBondContact O-N 3Å; G67-L71 PolarHBondContact O-N 3.29Å; L71-L74 PolarHBondContact O-N 3.49Å; L71-L75 PolarHBondContact O-N 2.69Å; L71-L194 HydrophobicContact CD1-CD1 3.74Å; L71-L194 HydrophobicContact CD1-CG 4.34Å; L71-V197 HydrophobicContact CB-CG1 3.86Å; L71-V197 HydrophobicContact CD1-CG1 4.32Å; L71-A198 HydrophobicContact CD1-CB 3.8Å; L71-A198 HydrophobicContact CD2-CB 4.45Å; L71-L251 HydrophobicContact CD1-CD1 4.04Å; L71-L251 HydrophobicContact CD2-CD1 4.35Å; L71-L251 HydrophobicContact CG-CD1 4.32Å
72V95.7Very high94.9Very high1 Ų139.5 Ų39.51%0.00621%0.209CC..G310 helixtrans-64-41.5-178173.70000112.4G67 L74 L75 V80 Y84 M87G67-V72 WeakPolarHBondContact O-CG2 3.47Å; G67-V72 PolarHBondContact O-N 3.15Å; V72-L74 PolarHBondContact O-N 3.42Å; V72-L75 WeakPolarHBondContact O-CB 3.23Å; V72-L75 PolarHBondContact O-N 2.67Å; V72-L75 VanDerWaalsContact O-N 3.14Å; V72-V80 HydrophobicContact CG1-CG1 4.32Å; V72-Y84 HydrophobicContact CB-CE1 4.23Å; V72-Y84 HydrophobicContact CB-CE2 4.49Å; V72-Y84 HydrophobicContact CG1-CD1 3.9Å; V72-Y84 HydrophobicContact CG1-CD2 3.53Å; V72-Y84 HydrophobicContact CG1-CE1 3.88Å; V72-Y84 HydrophobicContact CG1-CE2 3.55Å; V72-Y84 HydrophobicContact CG1-CG 3.69Å; V72-M87 HydrophobicContact CG2-CG 4.36Å
73P94.1Very high94.8Very high8 Ų837 Ų375%0.05220%0.201CC..G310 helixtrans-59.9-25.6172.2-30.738.1000116.2F68 L75 Y84 L232F68-P73 WeakPolarHBondContact O-CD 3.49Å; P73-L75 VanDerWaalsContact C-N 3.35Å; P73-Y84 VanDerWaalsContact CG-OH 3.32Å; P73-Y84 WeakPolarHBondContact CG-OH 3.25Å; P73-L232 HydrophobicContact CB-CB 4.25Å
74L93.5Very high94.8Very high2 Ų240.1 Ų40.11%0.0121%0.213CC..G310 helixtrans-85.4-5.4177.9-67.8171.5000113V70 L71 V72 V201 L212 W228 I244V70-L74 HydrophobicContact CG1-CD1 4.04Å; V70-L74 WeakPolarHBondContact O-CD1 3.28Å; V70-L74 VanDerWaalsContact O-CG 3.27Å; V70-L74 WeakPolarHBondContact O-CG 3.25Å; L71-L74 PolarHBondContact O-N 3.49Å; V72-L74 PolarHBondContact O-N 3.42Å; L74-V201 HydrophobicContact CB-CG1 4.38Å; L74-V201 HydrophobicContact CB-CG2 4.29Å; L74-V201 HydrophobicContact CD1-CG1 3.98Å; L74-L212 WeakPolarHBondContact O-CA 3.19Å; L74-L212 WeakPolarHBondContact O-CD2 3.47Å; L74-W228 HydrophobicContact CD2-CE3 3.87Å; L74-W228 HydrophobicContact CD2-CZ3 4.04Å; L74-I244 HydrophobicContact CD1-CD1 4.48Å; L74-I244 HydrophobicContact CD1-CG2 3.92Å
75L93.9Very high94.8Very high10 Ų1042.7 Ų42.75%0.05223%0.234CC..SBendtrans-67.6154171.4-68.2177.4000111L71 V72 P73 H77 W79 V80 V197 Y200L71-L75 PolarHBondContact O-N 2.69Å; V72-L75 WeakPolarHBondContact O-CB 3.23Å; V72-L75 PolarHBondContact O-N 2.67Å; V72-L75 VanDerWaalsContact O-N 3.14Å; P73-L75 VanDerWaalsContact C-N 3.35Å; L75-H77 PolarHBondContact O-N 3.08Å; L75-W79 HydrophobicContact CB-CB 4.27Å; L75-W79 HydrophobicContact CD2-CE3 4.5Å; L75-V80 HydrophobicContact CB-CG2 4.21Å; L75-V80 WeakPolarHBondContact O-CG2 3.35Å; L75-V197 HydrophobicContact CD1-CG1 4.49Å; L75-V197 HydrophobicContact CD2-CG1 4.17Å; L75-V197 HydrophobicContact CG-CG1 4.48Å; L75-Y200 HydrophobicContact CD2-CD1 3.62Å; L75-Y200 HydrophobicContact CD2-CE1 3.76Å
76P92.7Very high94.8Very high5 Ų545.6 Ų45.63%0.03224%0.242CC..  trans-50.2136.7171.1-27.934.9000111.1H78 W79 V80 Y200P76-H78 PolarHBondContact O-N 3.36Å; P76-W79 WeakPolarHBondContact O-CA 3.45Å; P76-W79 WeakPolarHBondContact O-CB 3.48Å; P76-W79 PolarHBondContact O-N 2.96Å; P76-V80 PolarHBondContact O-N 3.44Å; P76-Y200 HydrophobicContact CG-CE1 4.44Å; P76-Y200 WeakPolarHBondContact CG-OH 3.34Å
77H90.3Very high94.8Very high127 Ų12744.8 Ų44.859%0.58824%0.238SC*.THydrogen-bonded Turntrans-47.7-37.5-170.2-176.759.3000115L75 W79 V80 P81 T214L75-H77 PolarHBondContact O-N 3.08Å; H77-W79 VanDerWaalsContact C-N 3.34Å; H77-W79 PolarHBondContact O-N 3.46Å; H77-V80 PolarHBondContact O-N 3.29Å; H77-P81 WeakPolarHBondContact O-CD 3.48Å; H77-T214 PolarHBondContact N-OG1 3.06Å
78H91.2Very high94.9Very high134 Ų13445.9 Ų45.962%0.6225%0.249SC*.THydrogen-bonded Turntrans-73.6-18.4178.364.2-73.8000114.5P76P76-H78 PolarHBondContact O-N 3.36Å
79W95Very high95Very high121 Ų12146.6 Ų46.646%0.45826%0.264SS..THydrogen-bonded Turntrans-91.8-23.5174.3-70.814000112.8L75 P76 H77 A82 G83 Y200L75-W79 HydrophobicContact CB-CB 4.27Å; L75-W79 HydrophobicContact CD2-CE3 4.5Å; P76-W79 WeakPolarHBondContact O-CA 3.45Å; P76-W79 WeakPolarHBondContact O-CB 3.48Å; P76-W79 PolarHBondContact O-N 2.96Å; H77-W79 VanDerWaalsContact C-N 3.34Å; H77-W79 PolarHBondContact O-N 3.46Å; W79-A82 PolarHBondContact O-N 3.04Å; W79-G83 PolarHBondContact O-N 2.75Å; W79-Y200 HydrophobicContact CZ3-CE2 4.39Å
80V93.7Very high95.1Very high28 Ų2847.2 Ų47.217%0.1727%0.265CS..Hα-helixtrans-50.9-46.2-177.2178.20000113.1V72 L75 P76 H77 A82 G83 Y84V72-V80 HydrophobicContact CG1-CG1 4.32Å; L75-V80 HydrophobicContact CB-CG2 4.21Å; L75-V80 WeakPolarHBondContact O-CG2 3.35Å; P76-V80 PolarHBondContact O-N 3.44Å; H77-V80 PolarHBondContact O-N 3.29Å; V80-A82 PolarHBondContact O-N 3.01Å; V80-G83 PolarHBondContact O-N 3.34Å; V80-Y84 HydrophobicContact CG1-CD2 3.7Å; V80-Y84 HydrophobicContact CG1-CE2 3.56Å; V80-Y84 WeakPolarHBondContact O-CD2 3.48Å; V80-Y84 PolarHBondContact O-N 2.89Å
81P95.4Very high95.3Very high90 Ų9047.6 Ų47.658%0.58427%0.266SS*.Hα-helixtrans-64.4-40.2178.2-21.234.1000113.1H77 A85H77-P81 WeakPolarHBondContact O-CD 3.48Å; P81-A85 WeakPolarHBondContact O-CB 3.27Å; P81-A85 PolarHBondContact O-N 3.34Å
82A95.5Very high95.5Very high63 Ų6350 Ų5052%0.52129%0.287SS..Hα-helixtrans-68.8-38.7177.300000111.6W79 V80 A85 F86W79-A82 PolarHBondContact O-N 3.04Å; V80-A82 PolarHBondContact O-N 3.01Å; A82-A85 PolarHBondContact O-N 2.87Å; A82-F86 VanDerWaalsContact O-CB 3.28Å; A82-F86 WeakPolarHBondContact O-CB 3.42Å; A82-F86 PolarHBondContact O-N 2.93Å
83G95.4Very high95.6Very high12 Ų1251.5 Ų51.512%0.12430%0.303CS..Hα-helixtrans-57.5-53172.900000111.4W79 V80 M87W79-G83 PolarHBondContact O-N 2.75Å; V80-G83 PolarHBondContact O-N 3.34Å; G83-M87 WeakPolarHBondContact O-CB 3.28Å; G83-M87 WeakPolarHBondContact O-CG 3.4Å; G83-M87 PolarHBondContact O-N 3.28Å
84Y97.1Very high95.8Very high80 Ų8052.4 Ų52.431%0.31431%0.306SS..Hα-helixtrans-60.1-46175.6-83-60.5000113F68 V72 P73 V80 G88F68-Y84 HydrophobicContact CB-CE1 4.08Å; F68-Y84 AromaticContact CD1-CD1 3.77Å; F68-Y84 HydrophobicContact CD1-CD1 3.77Å; F68-Y84 AromaticContact CD1-CE1 3.97Å; F68-Y84 HydrophobicContact CD1-CE1 3.97Å; F68-Y84 HydrophobicContact CE1-CD1 4.48Å; F68-Y84 WeakPolarHBondContact O-CE1 3.42Å; F68-Y84 PolarHBondContact O-OH 3.01Å; V72-Y84 HydrophobicContact CB-CE1 4.23Å; V72-Y84 HydrophobicContact CB-CE2 4.49Å; V72-Y84 HydrophobicContact CG1-CD1 3.9Å; V72-Y84 HydrophobicContact CG1-CD2 3.53Å; V72-Y84 HydrophobicContact CG1-CE1 3.88Å; V72-Y84 HydrophobicContact CG1-CE2 3.55Å; V72-Y84 HydrophobicContact CG1-CG 3.69Å; P73-Y84 VanDerWaalsContact CG-OH 3.32Å; P73-Y84 WeakPolarHBondContact CG-OH 3.25Å; V80-Y84 HydrophobicContact CG1-CD2 3.7Å; V80-Y84 HydrophobicContact CG1-CE2 3.56Å; V80-Y84 WeakPolarHBondContact O-CD2 3.48Å; V80-Y84 PolarHBondContact O-N 2.89Å; Y84-G88 VanDerWaalsContact O-CA 3.24Å; Y84-G88 WeakPolarHBondContact O-CA 3.48Å; Y84-G88 PolarHBondContact O-N 3.31Å
85A97.3Very high96.1Very high68 Ų6855 Ų5556%0.56232%0.32SS*.Hα-helixtrans-65-48-17800000112.4P81 A82 A89P81-A85 WeakPolarHBondContact O-CB 3.27Å; P81-A85 PolarHBondContact O-N 3.34Å; A82-A85 PolarHBondContact O-N 2.87Å; A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.37Å; A85-A89 PolarHBondContact O-N 3.23Å
86F96.4Very high96.3Very high123 Ų12358.9 Ų58.954%0.53934%0.344SS..Hα-helixtrans-76.5-47-174.6-171.1-123.3000112.4A82 G88 A89 I90 L193A82-F86 VanDerWaalsContact O-CB 3.28Å; A82-F86 WeakPolarHBondContact O-CB 3.42Å; A82-F86 PolarHBondContact O-N 2.93Å; F86-G88 VanDerWaalsContact C-N 3.31Å; F86-G88 PolarHBondContact O-N 3.47Å; F86-A89 PolarHBondContact O-N 3.15Å; F86-I90 HydrophobicContact CD1-CD1 4.16Å; F86-I90 HydrophobicContact CD2-CD1 4.23Å; F86-I90 HydrophobicContact CE1-CD1 3.84Å; F86-I90 HydrophobicContact CE2-CD1 3.91Å; F86-I90 HydrophobicContact CG-CD1 4.34Å; F86-I90 HydrophobicContact CZ-CD1 3.7Å; F86-I90 WeakPolarHBondContact O-CG1 3.42Å; F86-I90 PolarHBondContact O-N 3.31Å; F86-I90 VanDerWaalsContact O-N 3.16Å; F86-L193 HydrophobicContact CD1-CD1 4.18Å; F86-L193 HydrophobicContact CD1-CD2 3.42Å; F86-L193 VanDerWaalsContact CD1-CD2 3.42Å; F86-L193 HydrophobicContact CD1-CG 4.45Å; F86-L193 HydrophobicContact CE1-CD1 3.93Å; F86-L193 HydrophobicContact CE1-CD2 3.5Å; F86-L193 VanDerWaalsContact CE1-CD2 3.5Å; F86-L193 HydrophobicContact CE1-CG 4.37Å; F86-L193 HydrophobicContact CG-CD2 4.41Å
87M96.9Very high96.6Very high4 Ų460.2 Ų60.22%0.0235%0.352CS..Hα-helixtrans-60.5-44.1171.8-70.6-75.9-7400110.7F68 V72 G83 A89 I90 F91 L193 L194F68-M87 HydrophobicContact CD1-CB 4.49Å; F68-M87 HydrophobicContact CE1-CB 3.52Å; F68-M87 HydrophobicContact CZ-CB 3.86Å; V72-M87 HydrophobicContact CG2-CG 4.36Å; G83-M87 WeakPolarHBondContact O-CB 3.28Å; G83-M87 WeakPolarHBondContact O-CG 3.4Å; G83-M87 PolarHBondContact O-N 3.28Å; M87-A89 PolarHBondContact O-N 2.96Å; M87-I90 PolarHBondContact O-N 2.87Å; M87-F91 HydrophobicContact CE-CD2 4.39Å; M87-F91 HydrophobicContact CE-CE2 3.71Å; M87-F91 HydrophobicContact CE-CZ 4.41Å; M87-F91 WeakPolarHBondContact O-CB 3.41Å; M87-F91 WeakPolarHBondContact O-CD2 3.47Å; M87-F91 PolarHBondContact O-N 2.92Å; M87-L193 HydrophobicContact CG-CD2 4.05Å; M87-L193 HydrophobicContact SD-CB 4.08Å; M87-L193 HydrophobicContact SD-CD2 3.34Å; M87-L193 WeakPolarHBondContact SD-CD2 3.34Å; M87-L193 HydrophobicContact SD-CG 3.44Å; M87-L193 WeakPolarHBondContact SD-CG 3.42Å; M87-L194 HydrophobicContact CE-CB 4.16Å; M87-L194 HydrophobicContact CE-CD1 3.53Å; M87-L194 HydrophobicContact CE-CG 4.47Å
88G97.6Very high97Very high23 Ų2355 Ų5524%0.23733%0.328CS..Hα-helixtrans-59.5-47.2-179.700000112.3Y84 F86 I90 F91 A92Y84-G88 VanDerWaalsContact O-CA 3.24Å; Y84-G88 WeakPolarHBondContact O-CA 3.48Å; Y84-G88 PolarHBondContact O-N 3.31Å; F86-G88 VanDerWaalsContact C-N 3.31Å; F86-G88 PolarHBondContact O-N 3.47Å; G88-I90 PolarHBondContact O-N 3.24Å; G88-F91 PolarHBondContact O-N 2.62Å; G88-A92 WeakPolarHBondContact O-CB 3.47Å; G88-A92 PolarHBondContact O-N 2.84Å
89A98.3Very high97.3Very high64 Ų6451.3 Ų51.353%0.52931%0.312SS..Hα-helixtrans-61.1-41.8176.400000112.6A85 F86 M87 G93A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.37Å; A85-A89 PolarHBondContact O-N 3.23Å; F86-A89 PolarHBondContact O-N 3.15Å; M87-A89 PolarHBondContact O-N 2.96Å; A89-G93 PolarHBondContact O-N 3.25Å
90I98.3Very high97.5Very high21 Ų2148 Ų4811%0.10831%0.306CS..Hα-helixtrans-69.5-46.1179.6-69162.6000111.4F86 M87 G88 G93 H94 L189 L193F86-I90 HydrophobicContact CD1-CD1 4.16Å; F86-I90 HydrophobicContact CD2-CD1 4.23Å; F86-I90 HydrophobicContact CE1-CD1 3.84Å; F86-I90 HydrophobicContact CE2-CD1 3.91Å; F86-I90 HydrophobicContact CG-CD1 4.34Å; F86-I90 HydrophobicContact CZ-CD1 3.7Å; F86-I90 WeakPolarHBondContact O-CG1 3.42Å; F86-I90 PolarHBondContact O-N 3.31Å; F86-I90 VanDerWaalsContact O-N 3.16Å; M87-I90 PolarHBondContact O-N 2.87Å; G88-I90 PolarHBondContact O-N 3.24Å; I90-G93 PolarHBondContact O-N 3.35Å; I90-H94 WeakPolarHBondContact O-CB 3.5Å; I90-H94 PolarHBondContact O-N 3.37Å; I90-L189 HydrophobicContact CD1-CD2 4.1Å; I90-L189 HydrophobicContact CD1-CG 4.12Å; I90-L189 HydrophobicContact CG1-CD2 4.14Å; I90-L189 HydrophobicContact CG2-CD2 4.39Å; I90-L189 HydrophobicContact CG2-CG 4.24Å; I90-L193 HydrophobicContact CD1-CD2 3.53Å
91F98.4Very high97.7Very high12 Ų1246.7 Ų46.75%0.05330%0.298CS..Hα-helixtrans-65.3-45.3177.8-89.2-110.6000111.8Y60 F63 A64 F68 M87 G88 H94 L95Y60-F91 HydrophobicContact CD2-CD1 4.22Å; Y60-F91 HydrophobicContact CD2-CE1 4.43Å; Y60-F91 HydrophobicContact CE2-CB 4.41Å; Y60-F91 AromaticContact CE2-CD1 3.51Å; Y60-F91 HydrophobicContact CE2-CD1 3.51Å; Y60-F91 HydrophobicContact CE2-CE1 4.16Å; Y60-F91 HydrophobicContact CE2-CG 4.29Å; Y60-F91 AromaticContact CZ-CD1 3.91Å; Y60-F91 PolarHBondContact OH-O 3.12Å; F63-F91 HydrophobicContact CB-CE1 4.11Å; F63-F91 HydrophobicContact CB-CZ 4.16Å; A64-F91 HydrophobicContact CB-CD1 3.92Å; A64-F91 HydrophobicContact CB-CE1 3.94Å; F68-F91 HydrophobicContact CE2-CB 4.06Å; F68-F91 HydrophobicContact CE2-CD1 4.08Å; F68-F91 HydrophobicContact CE2-CD2 4.38Å; F68-F91 AromaticContact CE2-CG 3.92Å; F68-F91 HydrophobicContact CE2-CG 3.92Å; F68-F91 HydrophobicContact CZ-CB 4.04Å; F68-F91 HydrophobicContact CZ-CD2 4.22Å; F68-F91 HydrophobicContact CZ-CG 4.07Å; M87-F91 HydrophobicContact CE-CD2 4.39Å; M87-F91 HydrophobicContact CE-CE2 3.71Å; M87-F91 HydrophobicContact CE-CZ 4.41Å; M87-F91 WeakPolarHBondContact O-CB 3.41Å; M87-F91 WeakPolarHBondContact O-CD2 3.47Å; M87-F91 PolarHBondContact O-N 2.92Å; G88-F91 PolarHBondContact O-N 2.62Å; F91-H94 PolarHBondContact O-N 3.35Å; F91-L95 WeakPolarHBondContact O-CB 3.16Å; F91-L95 PolarHBondContact O-N 2.81Å
92A98.5Very high97.8Very high53 Ų5342.4 Ų42.444%0.43827%0.27SS..Hα-helixtrans-63.8-42.1176.100000112G88 L95 V96G88-A92 WeakPolarHBondContact O-CB 3.47Å; G88-A92 PolarHBondContact O-N 2.84Å; A92-L95 PolarHBondContact O-N 3.3Å; A92-V96 WeakPolarHBondContact O-CG2 3.36Å; A92-V96 PolarHBondContact O-N 2.79Å
93G98.6Very high98Very high34 Ų3441.8 Ų41.835%0.35126%0.262SS..Hα-helixtrans-62-44.4174.400000112.4A89 I90 V96 V97A89-G93 PolarHBondContact O-N 3.25Å; I90-G93 PolarHBondContact O-N 3.35Å; G93-V96 PolarHBondContact O-N 2.88Å; G93-V97 WeakPolarHBondContact O-CB 3.32Å; G93-V97 VanDerWaalsContact O-CG2 3.32Å; G93-V97 WeakPolarHBondContact O-CG2 3.37Å; G93-V97 PolarHBondContact O-N 2.82Å
94H98.7Very high98.1Very high26 Ų2643 Ų4312%0.1227%0.265CS..Hα-helixtrans-58.5-49.4173.4176.663.6000111.5Y60 I90 F91 V96 V97 H98 S183 S186 A187Y60-H94 AromaticContact CD2-CD2 3.69Å; Y60-H94 AromaticContact CE2-CD2 3.75Å; I90-H94 WeakPolarHBondContact O-CB 3.5Å; I90-H94 PolarHBondContact O-N 3.37Å; F91-H94 PolarHBondContact O-N 3.35Å; H94-V96 PolarHBondContact O-N 3.35Å; H94-V97 PolarHBondContact O-N 2.77Å; H94-H98 VanDerWaalsContact O-CB 3.24Å; H94-H98 WeakPolarHBondContact O-CB 3.4Å; H94-H98 PolarHBondContact O-N 2.73Å; H94-S183 PolarHBondContact CE1-O 3.44Å; H94-S183 VanDerWaalsContact CE1-O 3.23Å; H94-S183 PolarHBondContact ND1-O 3.11Å; H94-S186 PolarHBondContact ND1-OG 3.29Å; H94-A187 PolarHBondContact ND1-N 3.48Å
95L98.6Very high98Very high56 Ų5639.9 Ų39.929%0.29325%0.254SS..Hα-helixtrans-57-52.4178.4-178.563.7000111Y60 F91 A92 V97 H98 L99Y60-L95 HydrophobicContact CE1-CD1 4.19Å; F91-L95 WeakPolarHBondContact O-CB 3.16Å; F91-L95 PolarHBondContact O-N 2.81Å; A92-L95 PolarHBondContact O-N 3.3Å; L95-V97 VanDerWaalsContact C-N 3.35Å; L95-V97 PolarHBondContact O-N 3.09Å; L95-H98 PolarHBondContact O-N 3.15Å; L95-L99 HydrophobicContact CD1-CD1 3.97Å; L95-L99 HydrophobicContact CD1-CD2 4.23Å; L95-L99 HydrophobicContact CD1-CG 3.92Å; L95-L99 HydrophobicContact CG-CD1 3.87Å; L95-L99 HydrophobicContact CG-CG 4.21Å; L95-L99 WeakPolarHBondContact O-CB 3.42Å; L95-L99 WeakPolarHBondContact O-CG 3.16Å; L95-L99 PolarHBondContact O-N 3.1Å
96V98.7Very high98Very high93 Ų9336.7 Ų36.756%0.56423%0.227SC*.Hα-helixtrans-56.1-47.8178.8170.30000111.5A92 G93 H94 T100A92-V96 WeakPolarHBondContact O-CG2 3.36Å; A92-V96 PolarHBondContact O-N 2.79Å; G93-V96 PolarHBondContact O-N 2.88Å; H94-V96 PolarHBondContact O-N 3.35Å; V96-T100 WeakPolarHBondContact O-CB 3.35Å; V96-T100 PolarHBondContact O-N 2.97Å; V96-T100 PolarHBondContact O-OG1 3.12Å
97V98.5Very high98Very high33 Ų3331 Ų3120%0.220%0.203CC..Hα-helixtrans-66.5-43.1-179.7173.60000111.8G93 H94 L95 T100 A101 L179 H182G93-V97 WeakPolarHBondContact O-CB 3.32Å; G93-V97 VanDerWaalsContact O-CG2 3.32Å; G93-V97 WeakPolarHBondContact O-CG2 3.37Å; G93-V97 PolarHBondContact O-N 2.82Å; H94-V97 PolarHBondContact O-N 2.77Å; L95-V97 VanDerWaalsContact C-N 3.35Å; L95-V97 PolarHBondContact O-N 3.09Å; V97-T100 PolarHBondContact O-N 2.99Å; V97-A101 WeakPolarHBondContact O-CB 3.48Å; V97-A101 PolarHBondContact O-N 3.13Å; V97-L179 HydrophobicContact CG1-CD2 4.35Å; V97-L179 WeakPolarHBondContact CG1-O 3.49Å; V97-H182 HydrophobicContact CG1-CB 3.61Å
98H98.4Very high97.9Very high18 Ų1831.1 Ų31.18%0.08320%0.204CC..Hα-helixtrans-63.2-50.5178-176.476.9000111.4W57 H94 L95 T100 A101 V102 S183W57-H98 AromaticContact CD1-NE2 3.93Å; W57-H98 AromaticContact NE1-CD2 3.71Å; W57-H98 AromaticContact NE1-NE2 3.16Å; W57-H98 PolarHBondContact NE1-NE2 3.01Å; W57-H98 VanDerWaalsContact NE1-NE2 3.16Å; H94-H98 VanDerWaalsContact O-CB 3.24Å; H94-H98 WeakPolarHBondContact O-CB 3.4Å; H94-H98 PolarHBondContact O-N 2.73Å; L95-H98 PolarHBondContact O-N 3.15Å; H98-T100 PolarHBondContact O-N 3.08Å; H98-A101 PolarHBondContact O-N 2.8Å; H98-A101 VanDerWaalsContact O-N 3.1Å; H98-V102 WeakPolarHBondContact O-CG2 3.38Å; H98-V102 PolarHBondContact O-N 2.92Å; H98-S183 PolarHBondContact ND1-OG 3.09Å
99L98.4Very high97.8Very high55 Ų5532.4 Ų32.429%0.28821%0.212SC..Hα-helixtrans-54.8-41.9174.5-67.5178.9000111.5W45 W57 L95 S103W45-L99 HydrophobicContact CH2-CD2 4.13Å; W45-L99 HydrophobicContact CZ2-CD2 4.03Å; W57-L99 HydrophobicContact CH2-CD2 3.26Å; W57-L99 HydrophobicContact CZ2-CD2 3.52Å; W57-L99 HydrophobicContact CZ3-CD2 4.38Å; L95-L99 HydrophobicContact CD1-CD1 3.97Å; L95-L99 HydrophobicContact CD1-CD2 4.23Å; L95-L99 HydrophobicContact CD1-CG 3.92Å; L95-L99 HydrophobicContact CG-CD1 3.87Å; L95-L99 HydrophobicContact CG-CG 4.21Å; L95-L99 WeakPolarHBondContact O-CB 3.42Å; L95-L99 WeakPolarHBondContact O-CG 3.16Å; L95-L99 PolarHBondContact O-N 3.1Å; L99-S103 WeakPolarHBondContact O-CB 3.34Å; L99-S103 PolarHBondContact O-N 2.89Å; L99-S103 PolarHBondContact O-OG 3.26Å
100T98.4Very high97.5Very high53 Ų5332.9 Ų32.933%0.32521%0.206SC..Hα-helixtrans-65.9-43.7177.3-520000111.2V96 V97 H98 V102 S103 I104 L179V96-T100 WeakPolarHBondContact O-CB 3.35Å; V96-T100 PolarHBondContact O-N 2.97Å; V96-T100 PolarHBondContact O-OG1 3.12Å; V97-T100 PolarHBondContact O-N 2.99Å; H98-T100 PolarHBondContact O-N 3.08Å; T100-V102 PolarHBondContact O-N 3.28Å; T100-S103 PolarHBondContact O-N 3.34Å; T100-I104 HydrophobicContact CG2-CD1 4.23Å; T100-I104 HydrophobicContact CG2-CG1 4.44Å; T100-I104 WeakPolarHBondContact O-CG1 3.16Å; T100-I104 PolarHBondContact O-N 2.94Å; T100-L179 HydrophobicContact CG2-CD1 3.73Å; T100-L179 HydrophobicContact CG2-CD2 4.05Å
101A98.2Very high97.2Very high0 Ų032.4 Ų32.40%020%0.203CC..Hα-helixtrans-63.1-39.3177.400000113.2V97 H98 L168 L179V97-A101 WeakPolarHBondContact O-CB 3.48Å; V97-A101 PolarHBondContact O-N 3.13Å; H98-A101 PolarHBondContact O-N 2.8Å; H98-A101 VanDerWaalsContact O-N 3.1Å; A101-L168 HydrophobicContact CB-CD1 4.27Å; A101-L168 HydrophobicContact CB-CD2 4.18Å; A101-L179 HydrophobicContact CB-CB 4.02Å
102V98.3Very high96.9Very high0 Ų036 Ų360%022%0.217CC..Hα-helixtrans-66.5-41173.3174.10000111G44 W45 H98 T100 L168 N170G44-V102 PolarHBondContact N-O 3.01Å; W45-V102 HydrophobicContact CD2-CG1 3.91Å; W45-V102 HydrophobicContact CE3-CG1 4.41Å; W45-V102 HydrophobicContact CG-CG1 4.38Å; W45-V102 HydrophobicContact CH2-CG1 4.31Å; W45-V102 HydrophobicContact CZ2-CB 4.41Å; W45-V102 HydrophobicContact CZ2-CG1 3.77Å; H98-V102 WeakPolarHBondContact O-CG2 3.38Å; H98-V102 PolarHBondContact O-N 2.92Å; T100-V102 PolarHBondContact O-N 3.28Å; V102-L168 HydrophobicContact CG2-CB 4.41Å; V102-L168 HydrophobicContact CG2-CD2 3.71Å; V102-N170 PolarHBondContact O-ND2 3.4Å
103S98.1Very high96.4Very high50 Ų5039.5 Ų39.535%0.3523%0.228SC..Hα-helixtrans-79-30.7-172-58.60000114.8N43 W45 L99 T100 D105N43-S103 WeakPolarHBondContact CB-O 3.44Å; N43-S103 PolarHBondContact ND2-O 3.27Å; W45-S103 PolarHBondContact NE1-OG 3.35Å; L99-S103 WeakPolarHBondContact O-CB 3.34Å; L99-S103 PolarHBondContact O-N 2.89Å; L99-S103 PolarHBondContact O-OG 3.26Å; T100-S103 PolarHBondContact O-N 3.34Å; S103-D105 PolarHBondContact O-N 3.32Å
104I97.5Very high95.7Very high36 Ų3641.5 Ų41.519%0.18523%0.227CC..SBendtrans-64.3134.4179.1-75.3-176.8000110.5T100 P106 N170 R175 N176 L179T100-I104 HydrophobicContact CG2-CD1 4.23Å; T100-I104 HydrophobicContact CG2-CG1 4.44Å; T100-I104 WeakPolarHBondContact O-CG1 3.16Å; T100-I104 PolarHBondContact O-N 2.94Å; I104-P106 VanDerWaalsContact O-CD 3.23Å; I104-P106 WeakPolarHBondContact O-CD 3.45Å; I104-N170 PolarHBondContact O-ND2 3.03Å; I104-R175 HydrophobicContact CG2-CG 3.96Å; I104-N176 HydrophobicContact CB-CB 4.23Å; I104-N176 HydrophobicContact CG2-CB 3.91Å; I104-L179 HydrophobicContact CD1-CD1 3.31Å; I104-L179 HydrophobicContact CG1-CD1 4.47Å
105D96.8Very high94.3Very high15 Ų1544.7 Ų44.78%0.0825%0.252CS..  trans-79.8111.9165.1-173-9.9000109.8R42 S103 A107 Y116 K156 R175R42-D105 HydrophobicContact CG-CB 4.39Å; R42-D105 WeakPolarHBondContact CG-OD2 3.5Å; R42-D105 IonicContact NE-OD2 2.66Å; R42-D105 WeakPolarHBondContact O-CA 3.4Å; R42-D105 WeakPolarHBondContact O-CB 3.32Å; R42-D105 VanDerWaalsContact O-OD1 3.09Å; S103-D105 PolarHBondContact O-N 3.32Å; D105-A107 VanDerWaalsContact C-N 3.29Å; D105-A107 PolarHBondContact O-N 3.36Å; D105-A107 WeakPolarHBondContact OD1-CB 3.33Å; D105-A107 PolarHBondContact OD1-N 3.46Å; D105-Y116 PolarHBondContact OD1-OH 2.92Å; D105-Y116 WeakPolarHBondContact OD2-CE2 3.33Å; D105-Y116 PolarHBondContact OD2-OH 2.91Å; D105-K156 IonicContact OD1-NZ 3.91Å; D105-K156 PolarHBondContact OD1-NZ 3.3Å; D105-R175 WeakPolarHBondContact O-CD 3.26Å; D105-R175 PolarHBondContact O-NE 2.95Å
106P96.8Very high93Very high1 Ų144.9 Ų44.91%0.00625%0.249CC..  trans-83.21.8-179.436.6-40.8000113.7I104 V158 N170 C171I104-P106 VanDerWaalsContact O-CD 3.23Å; I104-P106 WeakPolarHBondContact O-CD 3.45Å; P106-V158 HydrophobicContact CB-CG1 4.27Å; P106-V158 HydrophobicContact CG-CG2 4.35Å; P106-V158 WeakPolarHBondContact O-CG1 3.29Å; P106-N170 WeakPolarHBondContact CD-OD1 3.36Å; P106-N170 WeakPolarHBondContact CG-OD1 3.43Å; P106-C171 HydrophobicContact CB-CB 4.42Å; P106-C171 HydrophobicContact CG-CB 3.7Å; P106-C171 WeakPolarHBondContact CG-O 3.49Å
107A96Very high91.2Very high4 Ų444.5 Ų44.53%0.03326%0.256CS..BIsolated β-bridgetrans-60.5156.7-17600000113.3D105 V111 R112 Y116 K156 C157D105-A107 VanDerWaalsContact C-N 3.29Å; D105-A107 PolarHBondContact O-N 3.36Å; D105-A107 WeakPolarHBondContact OD1-CB 3.33Å; D105-A107 PolarHBondContact OD1-N 3.46Å; A107-V111 HydrophobicContact CB-CB 4.25Å; A107-V111 HydrophobicContact CB-CG1 3.96Å; A107-R112 HydrophobicContact CB-CG 3.71Å; A107-R112 VanDerWaalsContact O-CD 3.31Å; A107-R112 WeakPolarHBondContact O-CD 3.28Å; A107-Y116 VanDerWaalsContact CB-OH 3.31Å; A107-Y116 WeakPolarHBondContact CB-OH 3.24Å; A107-K156 HydrophobicContact CB-CD 3.9Å; A107-K156 HydrophobicContact CB-CG 4.36Å; A107-C157 VanDerWaalsContact CA-O 3.31Å; A107-C157 WeakPolarHBondContact CA-O 3.24Å
108D95.5Very high89.5Confident7 Ų744.7 Ų44.74%0.03727%0.265CS..  trans-51.7150169.3-163.9-57.4000110.8N110 V111 R112 V144 S145 S148 C157D108-N110 PolarHBondContact O-N 3.41Å; D108-N110 PolarHBondContact OD1-N 2.87Å; D108-V111 HydrophobicContact CB-CB 4.24Å; D108-V111 HydrophobicContact CB-CG2 3.93Å; D108-V111 PolarHBondContact O-N 3.06Å; D108-R112 WeakPolarHBondContact O-CG 3.48Å; D108-R112 PolarHBondContact O-N 3.36Å; D108-V144 WeakPolarHBondContact OD2-CB 3.37Å; D108-S145 PolarHBondContact OD2-N 2.63Å; D108-S148 WeakPolarHBondContact OD2-CB 3.48Å; D108-S148 PolarHBondContact OD2-OG 3.01Å; D108-C157 HydrophobicContact CB-CB 4.48Å; D108-C157 PolarHBondContact N-O 3.23Å
109A94.7Very high88Confident49 Ų4948.1 Ų48.141%0.40529%0.288SS..Hα-helixtrans-56.4-50-179.900000111.1V111 R112 D113A109-V111 VanDerWaalsContact C-N 3.25Å; A109-V111 PolarHBondContact O-N 2.91Å; A109-R112 WeakPolarHBondContact O-CA 3.28Å; A109-R112 WeakPolarHBondContact O-CB 3.41Å; A109-R112 PolarHBondContact O-N 2.95Å; A109-D113 VanDerWaalsContact O-CG 3.26Å; A109-D113 PolarHBondContact O-N 3.25Å
110N92.8Very high86.6Confident75 Ų7547.3 Ų47.340%0.40128%0.284SS..Hα-helixtrans-64.2-31.2-178-63-7.8000112.4D108 K114 V142 D143D108-N110 PolarHBondContact O-N 3.41Å; D108-N110 PolarHBondContact OD1-N 2.87Å; N110-K114 PolarHBondContact O-N 3.49Å; N110-V142 HydrophobicContact CB-CB 4.38Å; N110-D143 WeakPolarHBondContact CB-O 3.29Å; N110-D143 PolarHBondContact ND2-O 3.43Å
111V91.8Very high85.3Confident10 Ų1048.2 Ų48.26%0.06129%0.291CS..Hα-helixtrans-70.9-33.8173.4175.10000111.9A107 D108 A109 Y116 C140 V142 V144 K156 C157A107-V111 HydrophobicContact CB-CB 4.25Å; A107-V111 HydrophobicContact CB-CG1 3.96Å; D108-V111 HydrophobicContact CB-CB 4.24Å; D108-V111 HydrophobicContact CB-CG2 3.93Å; D108-V111 PolarHBondContact O-N 3.06Å; A109-V111 VanDerWaalsContact C-N 3.25Å; A109-V111 PolarHBondContact O-N 2.91Å; V111-Y116 HydrophobicContact CG1-CE1 4.1Å; V111-C140 HydrophobicContact CG2-CB 4.27Å; V111-V142 HydrophobicContact CG2-CG2 3.62Å; V111-V144 HydrophobicContact CG2-CG1 4.39Å; V111-K156 HydrophobicContact CG1-CB 4.18Å; V111-C157 HydrophobicContact CG2-CB 3.91Å
112R91.8Very high84.1Confident88 Ų8854.2 Ų54.233%0.33232%0.322SS..Hα-helixtrans-78.3-26.8179.5-72.7174.447.4-118.8-24113.2A107 D108 A109A107-R112 HydrophobicContact CB-CG 3.71Å; A107-R112 VanDerWaalsContact O-CD 3.31Å; A107-R112 WeakPolarHBondContact O-CD 3.28Å; D108-R112 WeakPolarHBondContact O-CG 3.48Å; D108-R112 PolarHBondContact O-N 3.36Å; A109-R112 WeakPolarHBondContact O-CA 3.28Å; A109-R112 WeakPolarHBondContact O-CB 3.41Å; A109-R112 PolarHBondContact O-N 2.95Å
113D88.3Confident83.1Confident126 Ų12656.1 Ų56.167%0.67433%0.33SS*.Hα-helixtrans-81.7-24.3177.9-61.5-21.4000111.1A109A109-D113 VanDerWaalsContact O-CG 3.26Å; A109-D113 PolarHBondContact O-N 3.25Å
114K83.5Confident82.1Confident77 Ų7756.6 Ų56.634%0.33533%0.329SS..SBendtrans-73.6145.3164.8-166.2166.2-173.9175.20111.1N110 Y116 C140 D141 V142N110-K114 PolarHBondContact O-N 3.49Å; K114-Y116 PolarHBondContact O-N 2.85Å; K114-C140 PolarHBondContact NZ-O 2.85Å; K114-D141 VanDerWaalsContact NZ-CB 3.3Å; K114-D141 VanDerWaalsContact NZ-CG 3.3Å; K114-D141 PolarHBondContact NZ-O 3.46Å; K114-D141 IonicContact NZ-OD2 3.49Å; K114-D141 PolarHBondContact NZ-OD2 2.89Å; K114-V142 HydrophobicContact CB-CG1 4.23Å; K114-V142 HydrophobicContact CD-CG1 3.48Å; K114-V142 VanDerWaalsContact CD-CG1 3.48Å; K114-V142 HydrophobicContact CG-CG1 4.48Å
115S70.1Confident81.4Confident92 Ų9264.3 Ų64.364%0.64336%0.356SS*.  trans-69.2130.9173.5-174.20000111A117S115-A117 PolarHBondContact O-N 3.1Å; S115-A117 VanDerWaalsContact OG-CB 3.27Å; S115-A117 WeakPolarHBondContact OG-CB 3.48Å; S115-A117 PolarHBondContact OG-N 3.28Å
116Y71.4Confident80.4Confident60 Ų6068.7 Ų68.724%0.23539%0.387CS..  trans-68.912.4169.3-70.3-64.8000113.8S40 R42 D105 A107 V111 K114 G118S40-Y116 WeakPolarHBondContact OG-CE1 3.38Å; R42-Y116 HydrophobicContact CB-CE2 4.35Å; R42-Y116 HydrophobicContact CG-CD2 4.21Å; R42-Y116 HydrophobicContact CG-CE2 3.78Å; D105-Y116 PolarHBondContact OD1-OH 2.92Å; D105-Y116 WeakPolarHBondContact OD2-CE2 3.33Å; D105-Y116 PolarHBondContact OD2-OH 2.91Å; A107-Y116 VanDerWaalsContact CB-OH 3.31Å; A107-Y116 WeakPolarHBondContact CB-OH 3.24Å; V111-Y116 HydrophobicContact CG1-CE1 4.1Å; K114-Y116 PolarHBondContact O-N 2.85Å; Y116-G118 PolarHBondContact O-N 2.81Å
117A59.9Low79.3Confident86 Ų8675.3 Ų75.371%0.71142%0.418SS*.  trans-82.2104.4-178.200000111.6S115S115-A117 PolarHBondContact O-N 3.1Å; S115-A117 VanDerWaalsContact OG-CB 3.27Å; S115-A117 WeakPolarHBondContact OG-CB 3.48Å; S115-A117 PolarHBondContact OG-N 3.28Å
118G63.4Low78.6Confident36 Ų3678 Ų7837%0.37143%0.43SS..SBendtrans140.8160.8170.800000112.8Y116Y116-G118 PolarHBondContact O-N 2.81Å
119P67.2Low77.6Confident90 Ų9081.6 Ų81.658%0.58446%0.461SS*.PPolyproline II helixtrans-65141.9158.530.3-32.2000109G37G37-P119 WeakPolarHBondContact O-CA 3.45Å; G37-P119 WeakPolarHBondContact O-CB 3.24Å
120L69.1Low77Confident38 Ų3881.4 Ų81.420%0.19945%0.451CS..PPolyproline II helixtrans-67.4149.3168.2-70-164.2000110.5N155L120-N155 HydrophobicContact CD1-CB 3.76Å; L120-N155 WeakPolarHBondContact CD1-O 3.42Å; L120-N155 HydrophobicContact CG-CB 4.47Å
121P70Confident76.7Confident72 Ų7278.7 Ų78.747%0.46844%0.438SS..PPolyproline II helixtrans-59150.9169.526.9-35.3000111L139P121-L139 WeakPolarHBondContact CD-O 3.33Å; P121-L139 WeakPolarHBondContact O-CD2 3.28Å
122I73.3Confident76.6Confident126 Ų12679.2 Ų79.265%0.64644%0.44SS*.PPolyproline II helixtrans-75.6126.3175-60.1175.2000108.4L35 N124L35-I122 HydrophobicContact CD1-CD1 4.07Å; L35-I122 HydrophobicContact CD2-CD1 4.04Å; L35-I122 HydrophobicContact CG-CD1 4.07Å; I122-N124 PolarHBondContact O-N 2.9Å; I122-N124 VanDerWaalsContact O-N 3.14Å
123F77.5Confident76.3Confident40 Ų4077.5 Ų77.518%0.17544%0.436CS..  trans-66.3114179.2-176-112.6000111.6R125 H128 H130 V131 N138 L139F123-R125 HydrophobicContact CD1-CG 3.96Å; F123-R125 HydrophobicContact CE1-CG 3.73Å; F123-H128 HydrophobicContact CE2-CB 3.63Å; F123-H128 HydrophobicContact CZ-CB 3.73Å; F123-H128 WeakPolarHBondContact CZ-O 3.43Å; F123-H130 WeakPolarHBondContact CE2-O 3.38Å; F123-H130 WeakPolarHBondContact CZ-O 3.49Å; F123-V131 HydrophobicContact CD1-CG2 4Å; F123-V131 HydrophobicContact CD2-CG2 4.07Å; F123-V131 HydrophobicContact CE1-CG2 3.93Å; F123-V131 HydrophobicContact CE2-CB 4.4Å; F123-V131 HydrophobicContact CE2-CG2 4.02Å; F123-V131 HydrophobicContact CG-CG2 4.07Å; F123-V131 HydrophobicContact CZ-CG2 3.96Å; F123-N138 HydrophobicContact CD2-CB 4.49Å; F123-N138 HydrophobicContact CE2-CB 4.21Å; F123-L139 HydrophobicContact CB-CD1 4.17Å; F123-L139 HydrophobicContact CB-CD2 3.68Å; F123-L139 HydrophobicContact CB-CG 3.9Å; F123-L139 HydrophobicContact CD2-CG 4.19Å; F123-L139 HydrophobicContact CG-CG 4.38Å
124N77.5Confident76.4Confident61 Ų6179.5 Ų79.533%0.32645%0.446SS..  trans-94.4105.5179.7-170.84.1000112.4I122 S126 Q127 H128I122-N124 PolarHBondContact O-N 2.9Å; I122-N124 VanDerWaalsContact O-N 3.14Å; N124-S126 PolarHBondContact ND2-OG 3.2Å; N124-S126 PolarHBondContact O-N 2.86Å; N124-S126 PolarHBondContact OD1-N 3.2Å; N124-S126 VanDerWaalsContact OD1-N 3.13Å; N124-S126 PolarHBondContact OD1-OG 3.22Å; N124-Q127 HydrophobicContact CB-CB 4.42Å; N124-Q127 PolarHBondContact ND2-OE1 2.9Å; N124-Q127 PolarHBondContact O-N 3.35Å; N124-Q127 VanDerWaalsContact O-N 3.16Å; N124-H128 PolarHBondContact O-N 2.83Å; N124-H128 VanDerWaalsContact O-N 3.12Å
125R81.8Confident76.8Confident198 Ų19880.2 Ų80.275%0.74745%0.453SS*.THydrogen-bonded Turntrans-65.8-15.1178.2-72.9-176.2176.492.6-2.9114.9F123F123-R125 HydrophobicContact CD1-CG 3.96Å; F123-R125 HydrophobicContact CE1-CG 3.73Å
126S76.9Confident77.8Confident106 Ų10678.3 Ų78.374%0.74143%0.434SS*.THydrogen-bonded Turntrans-84.1-16.6174.768.90000113.4N124N124-S126 PolarHBondContact ND2-OG 3.2Å; N124-S126 PolarHBondContact O-N 2.86Å; N124-S126 PolarHBondContact OD1-N 3.2Å; N124-S126 VanDerWaalsContact OD1-N 3.13Å; N124-S126 PolarHBondContact OD1-OG 3.22Å
127Q74.1Confident78.8Confident141 Ų14175.5 Ų75.566%0.65942%0.423SS*.THydrogen-bonded Turntrans-99.5-37.8177.5-72.7169.7-33.400111.8N124N124-Q127 HydrophobicContact CB-CB 4.42Å; N124-Q127 PolarHBondContact ND2-OE1 2.9Å; N124-Q127 PolarHBondContact O-N 3.35Å; N124-Q127 VanDerWaalsContact O-N 3.16Å
128H79.8Confident80.3Confident59 Ų5973 Ų7327%0.27340%0.398SS..  trans-126.9130.2-176.5-61.8-75.2000111.1F123 N124 H130 E133 N138F123-H128 HydrophobicContact CE2-CB 3.63Å; F123-H128 HydrophobicContact CZ-CB 3.73Å; F123-H128 WeakPolarHBondContact CZ-O 3.43Å; N124-H128 PolarHBondContact O-N 2.83Å; N124-H128 VanDerWaalsContact O-N 3.12Å; H128-H130 VanDerWaalsContact C-N 3.29Å; H128-E133 IonicContact CE1-OE2 3.48Å; H128-E133 IonicContact CG-OE2 3.43Å; H128-E133 IonicContact ND1-OE2 3.8Å; H128-E133 PolarHBondContact ND1-OE2 3.14Å; H128-N138 PolarHBondContact CE1-OD1 3.48Å; H128-N138 VanDerWaalsContact CG-ND2 3.33Å; H128-N138 PolarHBondContact ND1-ND2 3.26Å; H128-N138 VanDerWaalsContact ND1-ND2 3.1Å
129A75.5Confident81.5Confident83 Ų8372.3 Ų72.369%0.68639%0.385SS*.SBendtrans-72.4-27.7173.700000111.5E133A129-E133 WeakPolarHBondContact CA-OE1 3.46Å; A129-E133 PolarHBondContact N-OE1 2.93Å
130H81.9Confident82.5Confident46 Ų4668.5 Ų68.521%0.21336%0.361CS..SBendtrans-136.4150.8-178.1-67.7-48.1000113.4S11 F123 H128 I132 E133 N138S11-H130 VanDerWaalsContact CB-CE1 3.45Å; S11-H130 WeakPolarHBondContact CB-CE1 3.32Å; S11-H130 PolarHBondContact OG-CE1 3.15Å; F123-H130 WeakPolarHBondContact CE2-O 3.38Å; F123-H130 WeakPolarHBondContact CZ-O 3.49Å; H128-H130 VanDerWaalsContact C-N 3.29Å; H130-I132 WeakPolarHBondContact CB-O 3.42Å; H130-I132 PolarHBondContact O-N 3.43Å; H130-E133 HydrophobicContact CB-CG 3.74Å; H130-E133 PolarHBondContact N-OE1 2.84Å; H130-N138 PolarHBondContact O-ND2 3.16Å
131V86.9Confident83.5Confident18 Ų1871.4 Ų71.411%0.10938%0.377CS..SBendtrans-67.3-22.8173.8176.80000112T14 F123 C137 N138 L139 H150T14-V131 HydrophobicContact CG2-CG2 4.13Å; F123-V131 HydrophobicContact CD1-CG2 4Å; F123-V131 HydrophobicContact CD2-CG2 4.07Å; F123-V131 HydrophobicContact CE1-CG2 3.93Å; F123-V131 HydrophobicContact CE2-CB 4.4Å; F123-V131 HydrophobicContact CE2-CG2 4.02Å; F123-V131 HydrophobicContact CG-CG2 4.07Å; F123-V131 HydrophobicContact CZ-CG2 3.96Å; V131-C137 CarbonylContact O-C 3.42Å; V131-C137 WeakPolarHBondContact O-CA 3.38Å; V131-C137 PolarHBondContact O-SG 2.96Å; V131-N138 PolarHBondContact O-N 3.46Å; V131-N138 VanDerWaalsContact O-N 3.08Å; V131-L139 HydrophobicContact CG1-CB 4.09Å; V131-L139 HydrophobicContact CG1-CD1 3.71Å; V131-L139 HydrophobicContact CG1-CG 4.01Å; V131-L139 HydrophobicContact CG2-CD1 4.38Å; V131-H150 HydrophobicContact CG1-CB 3.56Å
132I88Confident84.5Confident20 Ų2068.9 Ų68.910%0.10336%0.36CS..EExtended strand (participates in β ladder)trans-132.6117.2173.3-58.2168.2000108.6H130 H136 C137 V144 H150H130-I132 WeakPolarHBondContact CB-O 3.42Å; H130-I132 PolarHBondContact O-N 3.43Å; I132-H136 CarbonylContact C-O 3.53Å; I132-H136 WeakPolarHBondContact CA-O 3.46Å; I132-H136 WeakPolarHBondContact CG2-O 3.45Å; I132-C137 HydrophobicContact CG1-CB 3.94Å; I132-V144 HydrophobicContact CD1-CG2 4.21Å; I132-V144 HydrophobicContact CG1-CG2 4.47Å; I132-V144 HydrophobicContact CG2-CG2 3.92Å; I132-H150 HydrophobicContact CD1-CB 4.38Å
133E87.4Confident85.4Confident53 Ų5367.5 Ų67.525%0.24835%0.354CS..EExtended strand (participates in β ladder)trans-128.9133.1-177.9-68.6173.3159.600107.7H128 A129 H130 L135 H136 N138H128-E133 IonicContact CE1-OE2 3.48Å; H128-E133 IonicContact CG-OE2 3.43Å; H128-E133 IonicContact ND1-OE2 3.8Å; H128-E133 PolarHBondContact ND1-OE2 3.14Å; A129-E133 WeakPolarHBondContact CA-OE1 3.46Å; A129-E133 PolarHBondContact N-OE1 2.93Å; H130-E133 HydrophobicContact CB-CG 3.74Å; H130-E133 PolarHBondContact N-OE1 2.84Å; E133-L135 PolarHBondContact O-N 3.45Å; E133-H136 PolarHBondContact N-O 2.89Å; E133-H136 WeakPolarHBondContact O-CA 3.2Å; E133-H136 WeakPolarHBondContact O-CB 3.49Å; E133-H136 PolarHBondContact O-N 2.89Å; E133-H136 VanDerWaalsContact O-O 3.12Å; E133-N138 PolarHBondContact OE2-ND2 3.49Å
134D89.2Confident86.2Confident168 Ų16866 Ų6690%0.89835%0.348SS*.THydrogen-bonded Turntrans46.838.5-179.5-57.5-31.2000115.7H136D134-H136 PolarHBondContact O-N 3.3Å
135L91.8Very high87Confident92 Ų9265 Ų6548%0.48235%0.346SS..THydrogen-bonded Turntrans67.32.3-174.3-53.8-177.9000115.5E133 D143 V144 A146E133-L135 PolarHBondContact O-N 3.45Å; L135-D143 CarbonylContact O-C 3.56Å; L135-D143 WeakPolarHBondContact O-CA 3.43Å; L135-V144 VanDerWaalsContact O-CG2 3.26Å; L135-V144 WeakPolarHBondContact O-CG2 3.38Å; L135-V144 PolarHBondContact O-N 3.19Å; L135-A146 HydrophobicContact CD2-CB 4.1Å
136H92.1Very high87.5Confident52 Ų5259.2 Ų59.224%0.24134%0.34CS..EExtended strand (participates in β ladder)trans-89138.1169.7-167.380.9000111.7I132 E133 D134 V142 D143I132-H136 CarbonylContact C-O 3.53Å; I132-H136 WeakPolarHBondContact CA-O 3.46Å; I132-H136 WeakPolarHBondContact CG2-O 3.45Å; E133-H136 PolarHBondContact N-O 2.89Å; E133-H136 WeakPolarHBondContact O-CA 3.2Å; E133-H136 WeakPolarHBondContact O-CB 3.49Å; E133-H136 PolarHBondContact O-N 2.89Å; E133-H136 VanDerWaalsContact O-O 3.12Å; D134-H136 PolarHBondContact O-N 3.3Å; H136-V142 PolarHBondContact CE1-N 3.12Å; H136-D143 IonicContact CE1-OD1 3.71Å; H136-D143 IonicContact CG-OD1 2.67Å; H136-D143 IonicContact ND1-OD1 3.6Å; H136-D143 PolarHBondContact ND1-OD1 2.92Å
137C92.2Very high88.2Confident0 Ų060 Ų600%033%0.327CS..EExtended strand (participates in β ladder)trans-102.7105.1174.1-176.20000112.3V131 I132 L139 C140 D141 V142 V144 C157V131-C137 CarbonylContact O-C 3.42Å; V131-C137 WeakPolarHBondContact O-CA 3.38Å; V131-C137 PolarHBondContact O-SG 2.96Å; I132-C137 HydrophobicContact CG1-CB 3.94Å; C137-L139 PolarHBondContact O-N 2.87Å; C137-C140 HydrophobicContact CB-CB 4.22Å; C137-C140 PolarHBondContact O-N 3.5Å; C137-C140 VanDerWaalsContact O-N 3.1Å; C137-D141 WeakPolarHBondContact O-CA 3.35Å; C137-D141 PolarHBondContact O-N 3.34Å; C137-V142 PolarHBondContact N-O 2.9Å; C137-V144 HydrophobicContact CB-CG1 4.03Å; C137-V144 HydrophobicContact CB-CG2 4.46Å; C137-C157 PolarHBondContact SG-SG 3.21Å
138N90.3Very high89.2Confident34 Ų3453.6 Ų53.618%0.18230%0.297CS..THydrogen-bonded Turntrans-61-15.6-178.7-57-42.9000114.7F123 H128 H130 V131 E133F123-N138 HydrophobicContact CD2-CB 4.49Å; F123-N138 HydrophobicContact CE2-CB 4.21Å; H128-N138 PolarHBondContact CE1-OD1 3.48Å; H128-N138 VanDerWaalsContact CG-ND2 3.33Å; H128-N138 PolarHBondContact ND1-ND2 3.26Å; H128-N138 VanDerWaalsContact ND1-ND2 3.1Å; H130-N138 PolarHBondContact O-ND2 3.16Å; V131-N138 PolarHBondContact O-N 3.46Å; V131-N138 VanDerWaalsContact O-N 3.08Å; E133-N138 PolarHBondContact OE2-ND2 3.49Å
139L88.7Confident90Very high21 Ų2152.6 Ų52.611%0.1129%0.293CS..THydrogen-bonded Turntrans-92.1-37.2173.9-89.1-177000114.1P121 F123 V131 C137P121-L139 WeakPolarHBondContact CD-O 3.33Å; P121-L139 WeakPolarHBondContact O-CD2 3.28Å; F123-L139 HydrophobicContact CB-CD1 4.17Å; F123-L139 HydrophobicContact CB-CD2 3.68Å; F123-L139 HydrophobicContact CB-CG 3.9Å; F123-L139 HydrophobicContact CD2-CG 4.19Å; F123-L139 HydrophobicContact CG-CG 4.38Å; V131-L139 HydrophobicContact CG1-CB 4.09Å; V131-L139 HydrophobicContact CG1-CD1 3.71Å; V131-L139 HydrophobicContact CG1-CG 4.01Å; V131-L139 HydrophobicContact CG2-CD1 4.38Å; C137-L139 PolarHBondContact O-N 2.87Å
140C88.4Confident90.9Very high11 Ų1150.3 Ų50.37%0.07427%0.268CS..THydrogen-bonded Turntrans-89.3-16177.8-63.90000112V111 K114 C137 V142 H150V111-C140 HydrophobicContact CG2-CB 4.27Å; K114-C140 PolarHBondContact NZ-O 2.85Å; C137-C140 HydrophobicContact CB-CB 4.22Å; C137-C140 PolarHBondContact O-N 3.5Å; C137-C140 VanDerWaalsContact O-N 3.1Å; C140-V142 HydrophobicContact CB-CG2 3.78Å; C140-H150 VanDerWaalsContact SG-CE1 3.55Å
141D89.9Confident91.5Very high99 Ų9948.6 Ų48.653%0.52926%0.261SS..THydrogen-bonded Turntrans53.553.9-176.2167.657.8000110.1K114 C137K114-D141 VanDerWaalsContact NZ-CB 3.3Å; K114-D141 VanDerWaalsContact NZ-CG 3.3Å; K114-D141 PolarHBondContact NZ-O 3.46Å; K114-D141 IonicContact NZ-OD2 3.49Å; K114-D141 PolarHBondContact NZ-OD2 2.89Å; C137-D141 WeakPolarHBondContact O-CA 3.35Å; C137-D141 PolarHBondContact O-N 3.34Å
142V90.6Very high91.8Very high19 Ų1951 Ų5112%0.11528%0.278CS..EExtended strand (participates in β ladder)trans-153150.9176.7-64.30000110.2N110 V111 K114 H136 C137 C140 V144N110-V142 HydrophobicContact CB-CB 4.38Å; V111-V142 HydrophobicContact CG2-CG2 3.62Å; K114-V142 HydrophobicContact CB-CG1 4.23Å; K114-V142 HydrophobicContact CD-CG1 3.48Å; K114-V142 VanDerWaalsContact CD-CG1 3.48Å; K114-V142 HydrophobicContact CG-CG1 4.48Å; H136-V142 PolarHBondContact CE1-N 3.12Å; C137-V142 PolarHBondContact N-O 2.9Å; C140-V142 HydrophobicContact CB-CG2 3.78Å; V142-V144 HydrophobicContact CG2-CG1 3.97Å
143D93.8Very high91.9Very high96 Ų9652.8 Ų52.851%0.51330%0.296SS..EExtended strand (participates in β ladder)trans-67.8145.7163.9-55.8-29.5000110.3N110 L135 H136N110-D143 WeakPolarHBondContact CB-O 3.29Å; N110-D143 PolarHBondContact ND2-O 3.43Å; L135-D143 CarbonylContact O-C 3.56Å; L135-D143 WeakPolarHBondContact O-CA 3.43Å; H136-D143 IonicContact CE1-OD1 3.71Å; H136-D143 IonicContact CG-OD1 2.67Å; H136-D143 IonicContact ND1-OD1 3.6Å; H136-D143 PolarHBondContact ND1-OD1 2.92Å
144V93.8Very high92.2Very high8 Ų850.3 Ų50.35%0.04829%0.285CS..  trans-135.6158.4-175.5-62.10000111.2D108 V111 I132 L135 C137 V142 C157D108-V144 WeakPolarHBondContact OD2-CB 3.37Å; V111-V144 HydrophobicContact CG2-CG1 4.39Å; I132-V144 HydrophobicContact CD1-CG2 4.21Å; I132-V144 HydrophobicContact CG1-CG2 4.47Å; I132-V144 HydrophobicContact CG2-CG2 3.92Å; L135-V144 VanDerWaalsContact O-CG2 3.26Å; L135-V144 WeakPolarHBondContact O-CG2 3.38Å; L135-V144 PolarHBondContact O-N 3.19Å; C137-V144 HydrophobicContact CB-CG1 4.03Å; C137-V144 HydrophobicContact CB-CG2 4.46Å; V142-V144 HydrophobicContact CG2-CG1 3.97Å; V144-C157 HydrophobicContact CG1-CB 3.76Å
145S93.5Very high92.3Very high41 Ų4143.4 Ų43.429%0.28725%0.247SC..  trans-62154.7178.4910000112.5D108 R147 S148 C159D108-S145 PolarHBondContact OD2-N 2.63Å; S145-R147 PolarHBondContact O-N 2.95Å; S145-R147 PolarHBondContact OG-N 3.41Å; S145-S148 PolarHBondContact N-OG 3.27Å; S145-S148 VanDerWaalsContact O-CB 3.25Å; S145-S148 WeakPolarHBondContact O-CB 3.34Å; S145-S148 PolarHBondContact O-N 3.12Å; S145-S148 PolarHBondContact O-OG 2.91Å; S145-S148 PolarHBondContact OG-N 2.83Å; S145-S148 PolarHBondContact OG-OG 3.49Å; S145-C159 PolarHBondContact OG-SG 2.93Å
146A93.1Very high92.4Very high77 Ų7739 Ų3964%0.63622%0.224SC*.THydrogen-bonded Turntrans-56.7-24.2176.400000114.7L135L135-A146 HydrophobicContact CD2-CB 4.1Å
147R91.9Very high92.5Very high123 Ų12336.5 Ų36.546%0.46421%0.213SC..THydrogen-bonded Turntrans-93.2-1.7177.2-49-153.9-48.81493.5113.5S145 G160 E174S145-R147 PolarHBondContact O-N 2.95Å; S145-R147 PolarHBondContact OG-N 3.41Å; R147-G160 PolarHBondContact O-N 3.35Å; R147-E174 IonicContact CZ-OE2 3.59Å; R147-E174 IonicContact NE-OE2 3.14Å; R147-E174 VanDerWaalsContact NH2-CD 3.3Å; R147-E174 IonicContact NH2-OE1 2.71Å; R147-E174 IonicContact NH2-OE2 3.61Å; R147-E174 PolarHBondContact NH2-OE2 3.06Å
148S94.8Very high92.8Very high5 Ų536.5 Ų36.54%0.03521%0.213CC..  trans-76.2144.2-175.1-65.10000112.2D108 S145 V158 C159D108-S148 WeakPolarHBondContact OD2-CB 3.48Å; D108-S148 PolarHBondContact OD2-OG 3.01Å; S145-S148 PolarHBondContact N-OG 3.27Å; S145-S148 VanDerWaalsContact O-CB 3.25Å; S145-S148 WeakPolarHBondContact O-CB 3.34Å; S145-S148 PolarHBondContact O-N 3.12Å; S145-S148 PolarHBondContact O-OG 2.91Å; S145-S148 PolarHBondContact OG-N 2.83Å; S145-S148 PolarHBondContact OG-OG 3.49Å; S148-V158 VanDerWaalsContact CA-O 3.28Å; S148-V158 WeakPolarHBondContact CA-O 3.5Å; S148-C159 VanDerWaalsContact OG-CA 3.32Å; S148-C159 WeakPolarHBondContact OG-CA 3.43Å
149K95.6Very high93.1Very high39 Ų3936.4 Ų36.417%0.1721%0.214CC..EExtended strand (participates in β ladder)trans-130.3143.3173.4-49.4-65.7167.8-162.70109C157 V158 F161 Y280K149-C157 WeakPolarHBondContact O-CA 3.44Å; K149-V158 PolarHBondContact N-O 3.16Å; K149-V158 VanDerWaalsContact N-O 3.15Å; K149-V158 PolarHBondContact O-N 2.94Å; K149-F161 HydrophobicContact CB-CB 3.75Å; K149-F161 HydrophobicContact CB-CD1 3.97Å; K149-F161 HydrophobicContact CB-CG 3.94Å; K149-F161 HydrophobicContact CG-CB 3.75Å; K149-F161 HydrophobicContact CG-CD1 4.05Å; K149-F161 HydrophobicContact CG-CG 4.22Å; K149-Y280 HydrophobicContact CD-CD1 4.5Å; K149-Y280 HydrophobicContact CD-CE1 3.91Å; K149-Y280 HydrophobicContact CG-CD1 4.44Å; K149-Y280 HydrophobicContact CG-CE1 4.26Å
150H95Very high93.4Very high35 Ų3535.7 Ų35.716%0.16221%0.212CC..EExtended strand (participates in β ladder)trans-79.9125.6171.6-167.298.6000109.8V131 I132 C140V131-H150 HydrophobicContact CG1-CB 3.56Å; I132-H150 HydrophobicContact CD1-CB 4.38Å; C140-H150 VanDerWaalsContact SG-CE1 3.55Å
151C95.3Very high93.8Very high10 Ų1036.2 Ų36.27%0.06821%0.213CC..EExtended strand (participates in β ladder)trans-102.5110.1173-179.20000109.7A153 C154 N155 K156 F161C151-A153 PolarHBondContact O-N 3.49Å; C151-C154 HydrophobicContact CB-CB 4.2Å; C151-C154 CarbonylContact O-C 3.59Å; C151-C154 PolarHBondContact O-N 2.88Å; C151-C154 VanDerWaalsContact O-N 3.11Å; C151-N155 WeakPolarHBondContact O-CA 3.34Å; C151-N155 PolarHBondContact O-N 2.99Å; C151-K156 PolarHBondContact N-O 3.2Å; C151-K156 PolarHBondContact O-N 3.14Å; C151-F161 HydrophobicContact CB-CD2 4.48Å; C151-F161 HydrophobicContact CB-CE2 3.81Å; C151-F161 HydrophobicContact CB-CZ 4.4Å
152S91.7Very high94.2Very high69 Ų6931.6 Ų31.648%0.48319%0.188SC..G310 helixtrans-59.6-41.9177.850.90000112.6C154 N155S152-C154 PolarHBondContact O-N 3.48Å; S152-C154 VanDerWaalsContact O-N 3.08Å; S152-N155 PolarHBondContact O-N 2.79Å; S152-N155 PolarHBondContact O-ND2 2.67Å; S152-N155 PolarHBondContact O-OD1 3.32Å; S152-N155 VanDerWaalsContact O-OD1 3.12Å
153A91.6Very high94.6Very high57 Ų5732.5 Ų32.547%0.47119%0.191SC..G310 helixtrans-61.6-19.9176.800000114.3C151C151-A153 PolarHBondContact O-N 3.49Å
154C92.8Very high94.8Very high1 Ų130 Ų301%0.00718%0.177CC..G310 helixtrans-108.6-7.5172.4-79.90000113.7R41 C151 S152 K156 H164 C171R41-C154 HydrophobicContact CB-CB 4.1Å; R41-C154 WeakPolarHBondContact CB-O 3.48Å; R41-C154 VanDerWaalsContact CD-SG 3.57Å; R41-C154 PolarHBondContact N-O 2.94Å; C151-C154 HydrophobicContact CB-CB 4.2Å; C151-C154 CarbonylContact O-C 3.59Å; C151-C154 PolarHBondContact O-N 2.88Å; C151-C154 VanDerWaalsContact O-N 3.11Å; S152-C154 PolarHBondContact O-N 3.48Å; S152-C154 VanDerWaalsContact O-N 3.08Å; C154-K156 VanDerWaalsContact C-N 3.32Å; C154-K156 HydrophobicContact CB-CD 4.25Å; C154-K156 HydrophobicContact CB-CG 3.98Å; C154-K156 PolarHBondContact O-N 2.88Å; C154-H164 VanDerWaalsContact SG-CE1 3.52Å; C154-H164 PolarHBondContact SG-ND1 3.04Å; C154-C171 PolarHBondContact SG-SG 3.46Å
155N91.9Very high95Very high22 Ų2230 Ų3012%0.11818%0.177CC..THydrogen-bonded Turntrans4156.8-168.8-72.1-52.9000112.7Q38 S40 L120 C151 S152Q38-N155 WeakPolarHBondContact CB-ND2 3.48Å; Q38-N155 PolarHBondContact OE1-ND2 3.21Å; S40-N155 VanDerWaalsContact CB-O 3.27Å; S40-N155 WeakPolarHBondContact CB-O 3.16Å; S40-N155 PolarHBondContact OG-O 3.24Å; L120-N155 HydrophobicContact CD1-CB 3.76Å; L120-N155 WeakPolarHBondContact CD1-O 3.42Å; L120-N155 HydrophobicContact CG-CB 4.47Å; C151-N155 WeakPolarHBondContact O-CA 3.34Å; C151-N155 PolarHBondContact O-N 2.99Å; S152-N155 PolarHBondContact O-N 2.79Å; S152-N155 PolarHBondContact O-ND2 2.67Å; S152-N155 PolarHBondContact O-OD1 3.32Å; S152-N155 VanDerWaalsContact O-OD1 3.12Å
156K92.8Very high95.2Very high0 Ų032.8 Ų32.80%018%0.184CC..EExtended strand (participates in β ladder)trans-162.5157.3175.573.5-163.1-166.2171.90113.9R41 R42 D105 A107 V111 C151 C154 V158R41-K156 VanDerWaalsContact O-CD 3.27Å; R41-K156 WeakPolarHBondContact O-CD 3.17Å; R41-K156 VanDerWaalsContact O-CE 3.25Å; R41-K156 WeakPolarHBondContact O-CE 3.45Å; R41-K156 PolarHBondContact O-NZ 3.23Å; R42-K156 PolarHBondContact O-NZ 3.43Å; D105-K156 IonicContact OD1-NZ 3.91Å; D105-K156 PolarHBondContact OD1-NZ 3.3Å; A107-K156 HydrophobicContact CB-CD 3.9Å; A107-K156 HydrophobicContact CB-CG 4.36Å; V111-K156 HydrophobicContact CG1-CB 4.18Å; C151-K156 PolarHBondContact N-O 3.2Å; C151-K156 PolarHBondContact O-N 3.14Å; C154-K156 VanDerWaalsContact C-N 3.32Å; C154-K156 HydrophobicContact CB-CD 4.25Å; C154-K156 HydrophobicContact CB-CG 3.98Å; C154-K156 PolarHBondContact O-N 2.88Å; K156-V158 HydrophobicContact CG-CG2 4.1Å
157C95.5Very high95.4Very high0 Ų034.7 Ų34.70%017%0.174CC..EExtended strand (participates in β ladder)trans-80.9138.3165.9-70.20000112.4A107 D108 V111 C137 V144 K149A107-C157 VanDerWaalsContact CA-O 3.31Å; A107-C157 WeakPolarHBondContact CA-O 3.24Å; D108-C157 HydrophobicContact CB-CB 4.48Å; D108-C157 PolarHBondContact N-O 3.23Å; V111-C157 HydrophobicContact CG2-CB 3.91Å; C137-C157 PolarHBondContact SG-SG 3.21Å; V144-C157 HydrophobicContact CG1-CB 3.76Å; K149-C157 WeakPolarHBondContact O-CA 3.44Å
158V97.3Very high95.7Very high0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans-124.8124.7-178.3168.30000108.4P106 S148 K149 K156 F161 C171P106-V158 HydrophobicContact CB-CG1 4.27Å; P106-V158 HydrophobicContact CG-CG2 4.35Å; P106-V158 WeakPolarHBondContact O-CG1 3.29Å; S148-V158 VanDerWaalsContact CA-O 3.28Å; S148-V158 WeakPolarHBondContact CA-O 3.5Å; K149-V158 PolarHBondContact N-O 3.16Å; K149-V158 VanDerWaalsContact N-O 3.15Å; K149-V158 PolarHBondContact O-N 2.94Å; K156-V158 HydrophobicContact CG-CG2 4.1Å; V158-F161 HydrophobicContact CB-CB 4.23Å; V158-F161 HydrophobicContact CB-CD2 3.92Å; V158-F161 HydrophobicContact CG1-CB 4.06Å; V158-F161 HydrophobicContact CG1-CD2 3.95Å; V158-F161 HydrophobicContact CG2-CD2 4.47Å; V158-C171 HydrophobicContact CG1-CB 4.33Å; V158-C171 HydrophobicContact CG2-CB 3.78Å
159C96.5Very high95.8Very high31 Ų3129 Ų2921%0.20915%0.153CC..THydrogen-bonded Turntrans-72.5135176.8-177.80000111S145 S148 F161 E174S145-C159 PolarHBondContact OG-SG 2.93Å; S148-C159 VanDerWaalsContact OG-CA 3.32Å; S148-C159 WeakPolarHBondContact OG-CA 3.43Å; C159-F161 VanDerWaalsContact C-N 3.28Å; C159-F161 PolarHBondContact O-N 3.21Å; C159-E174 PolarHBondContact O-N 3.25Å; C159-E174 PolarHBondContact SG-OE2 3.47Å
160G95.8Very high95.9Very high6 Ų627.2 Ų27.26%0.06215%0.145CC..THydrogen-bonded Turntrans54.445.1-176.100000112.2R147 D162 G173 E174R147-G160 PolarHBondContact O-N 3.35Å; G160-D162 PolarHBondContact O-N 3.2Å; G160-G173 WeakPolarHBondContact O-CA 3.49Å; G160-E174 PolarHBondContact O-N 3.04Å
161F97.6Very high96.1Very high22 Ų2225.5 Ų25.510%0.09614%0.137CC..  trans-57.8127.3-175.2175.8-96.4000112K149 C151 V158 C159 C171 T278 Y280K149-F161 HydrophobicContact CB-CB 3.75Å; K149-F161 HydrophobicContact CB-CD1 3.97Å; K149-F161 HydrophobicContact CB-CG 3.94Å; K149-F161 HydrophobicContact CG-CB 3.75Å; K149-F161 HydrophobicContact CG-CD1 4.05Å; K149-F161 HydrophobicContact CG-CG 4.22Å; C151-F161 HydrophobicContact CB-CD2 4.48Å; C151-F161 HydrophobicContact CB-CE2 3.81Å; C151-F161 HydrophobicContact CB-CZ 4.4Å; V158-F161 HydrophobicContact CB-CB 4.23Å; V158-F161 HydrophobicContact CB-CD2 3.92Å; V158-F161 HydrophobicContact CG1-CB 4.06Å; V158-F161 HydrophobicContact CG1-CD2 3.95Å; V158-F161 HydrophobicContact CG2-CD2 4.47Å; C159-F161 VanDerWaalsContact C-N 3.28Å; C159-F161 PolarHBondContact O-N 3.21Å; F161-C171 HydrophobicContact CE2-CB 4.5Å; F161-T278 PolarHBondContact O-OG1 2.95Å; F161-Y280 HydrophobicContact CD1-CD2 4.1Å; F161-Y280 HydrophobicContact CD1-CG 4.04Å; F161-Y280 AromaticContact CE1-CD2 3.86Å; F161-Y280 HydrophobicContact CE1-CD2 3.86Å; F161-Y280 HydrophobicContact CE1-CG 4.2Å
162D98.1Very high96.3Very high2 Ų225 Ų251%0.01113%0.134CC..  trans-104.5-60.2177.2-17184.4000111.2G160 V172 Y177 H269 T278 T279 Y280G160-D162 PolarHBondContact O-N 3.2Å; D162-V172 HydrophobicContact CB-CG1 4.27Å; D162-V172 WeakPolarHBondContact CB-O 3.23Å; D162-V172 PolarHBondContact N-O 3.35Å; D162-Y177 HydrophobicContact CB-CD2 4.17Å; D162-Y177 HydrophobicContact CB-CE2 4.15Å; D162-H269 IonicContact OD2-CE1 3.85Å; D162-H269 PolarHBondContact OD2-CE1 3.47Å; D162-T278 WeakPolarHBondContact OD1-CA 3.45Å; D162-T278 WeakPolarHBondContact OD1-CB 3.28Å; D162-T279 VanDerWaalsContact CG-OG1 3.28Å; D162-T279 PolarHBondContact OD1-N 3.23Å; D162-T279 PolarHBondContact OD1-OG1 3.16Å; D162-T279 VanDerWaalsContact OD2-CB 3.28Å; D162-T279 WeakPolarHBondContact OD2-CB 3.43Å; D162-T279 PolarHBondContact OD2-OG1 3.1Å; D162-Y280 WeakPolarHBondContact O-CB 3.25Å; D162-Y280 PolarHBondContact O-N 3.44Å
163H97.9Very high96.6Very high38 Ų3821.8 Ų21.818%0.17611%0.111CC..EExtended strand (participates in β ladder)trans-160.8169.5174.466.7-83.5000112.2C165 V172 F180H163-C165 WeakPolarHBondContact NE2-CB 3.32Å; H163-V172 PolarHBondContact N-O 3.36Å; H163-V172 PolarHBondContact O-N 3.18Å; H163-F180 AromaticContact CE1-CZ 3.73Å
164H97.8Very high96.8Very high45 Ų4524.2 Ų24.221%0.20811%0.113CC..EExtended strand (participates in β ladder)trans-92.1114.7163.9179.289.9000109.7C154C154-H164 VanDerWaalsContact SG-CE1 3.52Å; C154-H164 PolarHBondContact SG-ND1 3.04Å
165C98.3Very high97Very high7 Ų730.8 Ų30.85%0.04714%0.137CC..EExtended strand (participates in β ladder)trans-93.4107.4-175.4-168.90000111.3H163 W167 L168 N169 N170 V172H163-C165 WeakPolarHBondContact NE2-CB 3.32Å; C165-W167 PolarHBondContact O-N 3.24Å; C165-L168 HydrophobicContact CB-CB 4.13Å; C165-L168 HydrophobicContact CB-CD1 4.27Å; C165-L168 HydrophobicContact CB-CG 4.24Å; C165-L168 PolarHBondContact O-N 3.4Å; C165-N169 WeakPolarHBondContact O-CA 3.4Å; C165-N169 PolarHBondContact O-N 3.34Å; C165-N170 PolarHBondContact N-O 2.98Å; C165-N170 PolarHBondContact O-N 3.22Å; C165-V172 HydrophobicContact CB-CG2 3.82Å
166K97.8Very high97.3Very high100 Ų10029.8 Ų29.844%0.43513%0.132SC..THydrogen-bonded Turntrans-61.8-24.8177-66.9179.6178.8-1780114.1H50 L52H50-K166 PolarHBondContact ND1-O 3.48Å; L52-K166 HydrophobicContact CD1-CB 3.94Å; L52-K166 HydrophobicContact CD1-CD 4.2Å
167W98.1Very high97.6Very high117 Ų11731.7 Ų31.744%0.44314%0.139SC..THydrogen-bonded Turntrans-79-32.3177.7-59.8104.8000112.6L52 V55 A56 C165L52-W167 HydrophobicContact CB-CD2 4.04Å; L52-W167 HydrophobicContact CB-CE3 3.76Å; L52-W167 HydrophobicContact CB-CH2 4.46Å; L52-W167 HydrophobicContact CB-CZ3 3.99Å; L52-W167 HydrophobicContact CD1-CZ2 4.35Å; L52-W167 HydrophobicContact CD2-CH2 3.87Å; L52-W167 HydrophobicContact CD2-CZ2 4.24Å; L52-W167 HydrophobicContact CD2-CZ3 4.09Å; L52-W167 WeakPolarHBondContact O-CZ3 3.15Å; V55-W167 HydrophobicContact CG1-CZ3 4.37Å; A56-W167 HydrophobicContact CB-CE3 3.93Å; A56-W167 HydrophobicContact CB-CZ3 4.35Å; C165-W167 PolarHBondContact O-N 3.24Å
168L97.9Very high97.7Very high4 Ų441.2 Ų41.22%0.02118%0.176CC..THydrogen-bonded Turntrans-88.3-10.5170.7-62.5179.7000112.9G44 A101 V102 C165 N170 V172 F180G44-L168 VanDerWaalsContact CA-O 3.28Å; G44-L168 WeakPolarHBondContact CA-O 3.48Å; A101-L168 HydrophobicContact CB-CD1 4.27Å; A101-L168 HydrophobicContact CB-CD2 4.18Å; V102-L168 HydrophobicContact CG2-CB 4.41Å; V102-L168 HydrophobicContact CG2-CD2 3.71Å; C165-L168 HydrophobicContact CB-CB 4.13Å; C165-L168 HydrophobicContact CB-CD1 4.27Å; C165-L168 HydrophobicContact CB-CG 4.24Å; C165-L168 PolarHBondContact O-N 3.4Å; L168-N170 HydrophobicContact CB-CB 4.07Å; L168-N170 PolarHBondContact O-N 3.11Å; L168-V172 HydrophobicContact CD1-CG2 4Å; L168-F180 HydrophobicContact CD1-CB 4.43Å; L168-F180 HydrophobicContact CD1-CD2 4Å
169N97.5Very high97.8Very high5 Ų543.3 Ų43.33%0.02719%0.186CC..THydrogen-bonded Turntrans51.532.2-167.3-171.931.6000112.8R41 G44 P48 P49 H50 Q53 C165R41-N169 WeakPolarHBondContact CD-O 3.43Å; R41-N169 VanDerWaalsContact NH1-CG 3.33Å; R41-N169 PolarHBondContact NH1-ND2 3.03Å; R41-N169 PolarHBondContact NH1-OD1 3.24Å; G44-N169 WeakPolarHBondContact CA-O 3.38Å; G44-N169 PolarHBondContact O-ND2 2.87Å; G44-N169 VanDerWaalsContact O-ND2 3.14Å; P48-N169 PolarHBondContact O-ND2 3.37Å; P49-N169 WeakPolarHBondContact CA-ND2 3.33Å; H50-N169 HydrophobicContact CB-CB 4.14Å; Q53-N169 HydrophobicContact CB-CB 4.22Å; Q53-N169 VanDerWaalsContact CD-CB 3.47Å; Q53-N169 HydrophobicContact CG-CB 4.28Å; Q53-N169 PolarHBondContact OE1-ND2 3.43Å; Q53-N169 VanDerWaalsContact OE1-ND2 3.15Å; C165-N169 WeakPolarHBondContact O-CA 3.4Å; C165-N169 PolarHBondContact O-N 3.34Å
170N97.7Very high97.9Very high0 Ų042.1 Ų42.10%018%0.178CC..EExtended strand (participates in β ladder)trans-149.5158.8-168.3-161.75.6000110.3V102 I104 P106 C165 L168V102-N170 PolarHBondContact O-ND2 3.4Å; I104-N170 PolarHBondContact O-ND2 3.03Å; P106-N170 WeakPolarHBondContact CD-OD1 3.36Å; P106-N170 WeakPolarHBondContact CG-OD1 3.43Å; C165-N170 PolarHBondContact N-O 2.98Å; C165-N170 PolarHBondContact O-N 3.22Å; L168-N170 HydrophobicContact CB-CB 4.07Å; L168-N170 PolarHBondContact O-N 3.11Å
171C98.4Very high98Very high0 Ų042.9 Ų42.90%018%0.18CC..EExtended strand (participates in β ladder)trans-71.5147.6168.3-75.10000111.3P106 C154 V158 F161 N176P106-C171 HydrophobicContact CB-CB 4.42Å; P106-C171 HydrophobicContact CG-CB 3.7Å; P106-C171 WeakPolarHBondContact CG-O 3.49Å; C154-C171 PolarHBondContact SG-SG 3.46Å; V158-C171 HydrophobicContact CG1-CB 4.33Å; V158-C171 HydrophobicContact CG2-CB 3.78Å; F161-C171 HydrophobicContact CE2-CB 4.5Å; C171-N176 PolarHBondContact O-ND2 3.5Å
172V98.6Very high98Very high0 Ų047.2 Ų47.20%020%0.201CC..EExtended strand (participates in β ladder)trans-102.1121.9162.6-1790000106.9D162 H163 C165 L168 N176 Y177 F180D162-V172 HydrophobicContact CB-CG1 4.27Å; D162-V172 WeakPolarHBondContact CB-O 3.23Å; D162-V172 PolarHBondContact N-O 3.35Å; H163-V172 PolarHBondContact N-O 3.36Å; H163-V172 PolarHBondContact O-N 3.18Å; C165-V172 HydrophobicContact CB-CG2 3.82Å; L168-V172 HydrophobicContact CD1-CG2 4Å; V172-N176 WeakPolarHBondContact CA-OD1 3.49Å; V172-Y177 HydrophobicContact CG1-CD2 3.8Å; V172-F180 HydrophobicContact CG1-CB 4.03Å; V172-F180 HydrophobicContact CG1-CD1 3.98Å; V172-F180 HydrophobicContact CG1-CG 4Å; V172-F180 HydrophobicContact CG2-CB 4.14Å; V172-F180 HydrophobicContact CG2-CD1 4.49Å; V172-F180 HydrophobicContact CG2-CD2 3.87Å; V172-F180 HydrophobicContact CG2-CE2 4.43Å; V172-F180 HydrophobicContact CG2-CG 3.9Å
173G97.7Very high98.1Very high0 Ų047.5 Ų47.50%020%0.203CC..  trans-149.1-173.1177.100000110.2G160 R175 N176 Y177G160-G173 WeakPolarHBondContact O-CA 3.49Å; G173-R175 PolarHBondContact O-N 3.34Å; G173-N176 PolarHBondContact N-OD1 2.93Å; G173-N176 PolarHBondContact O-N 3.43Å; G173-N176 VanDerWaalsContact O-N 3.08Å; G173-N176 PolarHBondContact O-OD1 3.26Å; G173-N176 VanDerWaalsContact O-OD1 3.06Å; G173-Y177 WeakPolarHBondContact O-CB 3.47Å; G173-Y177 PolarHBondContact O-N 3.29Å
174E97Very high98.1Very high109 Ų10946.3 Ų46.351%0.50920%0.198SC..THydrogen-bonded Turntrans-51.9-41.2-168.7-175.8166.2173.100113.9R147 C159 G160 N176R147-E174 IonicContact CZ-OE2 3.59Å; R147-E174 IonicContact NE-OE2 3.14Å; R147-E174 VanDerWaalsContact NH2-CD 3.3Å; R147-E174 IonicContact NH2-OE1 2.71Å; R147-E174 IonicContact NH2-OE2 3.61Å; R147-E174 PolarHBondContact NH2-OE2 3.06Å; C159-E174 PolarHBondContact O-N 3.25Å; C159-E174 PolarHBondContact SG-OE2 3.47Å; G160-E174 PolarHBondContact O-N 3.04Å; E174-N176 PolarHBondContact O-N 3.36Å
175R97.3Very high98.2Very high139 Ų13946 Ų4653%0.52520%0.203SC..THydrogen-bonded Turntrans-71.1-23.4-175.8-171.2173.6164.987.52.8114.8I104 D105 G173I104-R175 HydrophobicContact CG2-CG 3.96Å; D105-R175 WeakPolarHBondContact O-CD 3.26Å; D105-R175 PolarHBondContact O-NE 2.95Å; G173-R175 PolarHBondContact O-N 3.34Å
176N98.3Very high98.2Very high1 Ų146.7 Ų46.71%0.00521%0.208CC..THydrogen-bonded Turntrans-124.6-1.1179.668.3-15.4000114.9I104 C171 V172 G173 E174 R178 L179 F180I104-N176 HydrophobicContact CB-CB 4.23Å; I104-N176 HydrophobicContact CG2-CB 3.91Å; C171-N176 PolarHBondContact O-ND2 3.5Å; V172-N176 WeakPolarHBondContact CA-OD1 3.49Å; G173-N176 PolarHBondContact N-OD1 2.93Å; G173-N176 PolarHBondContact O-N 3.43Å; G173-N176 VanDerWaalsContact O-N 3.08Å; G173-N176 PolarHBondContact O-OD1 3.26Å; G173-N176 VanDerWaalsContact O-OD1 3.06Å; E174-N176 PolarHBondContact O-N 3.36Å; N176-R178 VanDerWaalsContact C-N 3.35Å; N176-R178 PolarHBondContact O-N 2.88Å; N176-L179 PolarHBondContact O-N 2.96Å; N176-F180 PolarHBondContact O-N 2.98Å
177Y98.3Very high98.2Very high39 Ų3942.9 Ų42.915%0.15320%0.195CC..Hα-helixtrans-52-46.9-178.3-169.9-95.5000113.5D162 V172 G173 L179 F180 L181 M273D162-Y177 HydrophobicContact CB-CD2 4.17Å; D162-Y177 HydrophobicContact CB-CE2 4.15Å; V172-Y177 HydrophobicContact CG1-CD2 3.8Å; G173-Y177 WeakPolarHBondContact O-CB 3.47Å; G173-Y177 PolarHBondContact O-N 3.29Å; Y177-L179 VanDerWaalsContact C-N 3.34Å; Y177-L179 PolarHBondContact O-N 3.34Å; Y177-F180 WeakPolarHBondContact O-CB 3.4Å; Y177-F180 PolarHBondContact O-N 2.88Å; Y177-L181 HydrophobicContact CD1-CD1 3.88Å; Y177-L181 HydrophobicContact CD1-CG 4.28Å; Y177-L181 HydrophobicContact CE1-CD1 3.46Å; Y177-L181 VanDerWaalsContact CE1-CD1 3.46Å; Y177-L181 HydrophobicContact CE1-CG 4.06Å; Y177-L181 WeakPolarHBondContact O-CG 3.36Å; Y177-L181 PolarHBondContact O-N 3.4Å; Y177-M273 HydrophobicContact CE1-CG 4.02Å; Y177-M273 HydrophobicContact CE1-SD 4.1Å
178R98.1Very high98.2Very high201 Ų20138.5 Ų38.576%0.75818%0.18SC*.Hα-helixtrans-61.2-40.6177.2-68-176.1179.4168.40.7112.5N176 L181 H182N176-R178 VanDerWaalsContact C-N 3.35Å; N176-R178 PolarHBondContact O-N 2.88Å; R178-L181 PolarHBondContact O-N 3.35Å; R178-H182 PolarHBondContact O-CD2 2.94Å; R178-H182 PolarHBondContact O-N 2.97Å
179L98.6Very high98.3Very high43 Ų4342.7 Ų42.723%0.22520%0.202CC..Hα-helixtrans-71-36179.4-70.9159.5000111.7V97 T100 A101 I104 N176 Y177 H182 S183V97-L179 HydrophobicContact CG1-CD2 4.35Å; V97-L179 WeakPolarHBondContact CG1-O 3.49Å; T100-L179 HydrophobicContact CG2-CD1 3.73Å; T100-L179 HydrophobicContact CG2-CD2 4.05Å; A101-L179 HydrophobicContact CB-CB 4.02Å; I104-L179 HydrophobicContact CD1-CD1 3.31Å; I104-L179 HydrophobicContact CG1-CD1 4.47Å; N176-L179 PolarHBondContact O-N 2.96Å; Y177-L179 VanDerWaalsContact C-N 3.34Å; Y177-L179 PolarHBondContact O-N 3.34Å; L179-H182 PolarHBondContact O-N 3Å; L179-S183 VanDerWaalsContact O-CB 3.28Å; L179-S183 WeakPolarHBondContact O-CB 3.25Å; L179-S183 PolarHBondContact O-N 3.44Å
180F98.6Very high98.3Very high7 Ų742.7 Ų42.73%0.03120%0.203CC..Hα-helixtrans-58.9-49.2168.8162.5-99.5000111.3H163 L168 V172 N176 Y177 H182 S183 V184 L265 H269H163-F180 AromaticContact CE1-CZ 3.73Å; L168-F180 HydrophobicContact CD1-CB 4.43Å; L168-F180 HydrophobicContact CD1-CD2 4Å; V172-F180 HydrophobicContact CG1-CB 4.03Å; V172-F180 HydrophobicContact CG1-CD1 3.98Å; V172-F180 HydrophobicContact CG1-CG 4Å; V172-F180 HydrophobicContact CG2-CB 4.14Å; V172-F180 HydrophobicContact CG2-CD1 4.49Å; V172-F180 HydrophobicContact CG2-CD2 3.87Å; V172-F180 HydrophobicContact CG2-CE2 4.43Å; V172-F180 HydrophobicContact CG2-CG 3.9Å; N176-F180 PolarHBondContact O-N 2.98Å; Y177-F180 WeakPolarHBondContact O-CB 3.4Å; Y177-F180 PolarHBondContact O-N 2.88Å; F180-H182 PolarHBondContact O-N 3.47Å; F180-S183 WeakPolarHBondContact O-CB 3.43Å; F180-S183 PolarHBondContact O-N 2.95Å; F180-S183 VanDerWaalsContact O-N 3.12Å; F180-V184 HydrophobicContact CD2-CG2 4.29Å; F180-V184 HydrophobicContact CE1-CG2 4.48Å; F180-V184 HydrophobicContact CE2-CG2 3.83Å; F180-V184 HydrophobicContact CZ-CG2 3.94Å; F180-V184 WeakPolarHBondContact O-CG2 3.35Å; F180-V184 PolarHBondContact O-N 3.39Å; F180-L265 HydrophobicContact CZ-CD2 4.34Å; F180-H269 AromaticContact CE1-CD2 3.7Å; F180-H269 AromaticContact CE1-CE1 3.64Å; F180-H269 AromaticContact CE1-NE2 3.41Å; F180-H269 WeakPolarHBondContact CE1-NE2 3.14Å; F180-H269 AromaticContact CZ-CD2 3.97Å; F180-H269 AromaticContact CZ-NE2 3.54Å
181L98.6Very high98.4Very high21 Ų2143.3 Ų43.311%0.1121%0.207CC..Hα-helixtrans-62.4-44.2177.2-67.2-177.5000112.8Y177 R178 S183 V184 A185 H269 M273Y177-L181 HydrophobicContact CD1-CD1 3.88Å; Y177-L181 HydrophobicContact CD1-CG 4.28Å; Y177-L181 HydrophobicContact CE1-CD1 3.46Å; Y177-L181 VanDerWaalsContact CE1-CD1 3.46Å; Y177-L181 HydrophobicContact CE1-CG 4.06Å; Y177-L181 WeakPolarHBondContact O-CG 3.36Å; Y177-L181 PolarHBondContact O-N 3.4Å; R178-L181 PolarHBondContact O-N 3.35Å; L181-S183 VanDerWaalsContact C-N 3.27Å; L181-S183 PolarHBondContact O-N 3.31Å; L181-V184 PolarHBondContact O-N 3.49Å; L181-A185 WeakPolarHBondContact O-CB 3.27Å; L181-A185 PolarHBondContact O-N 2.87Å; L181-H269 HydrophobicContact CD2-CB 3.58Å; L181-M273 HydrophobicContact CD1-CE 3.71Å; L181-M273 HydrophobicContact CD1-SD 3.43Å; L181-M273 WeakPolarHBondContact CD1-SD 3.45Å
182H98.6Very high98.4Very high114 Ų11447.3 Ų47.353%0.52823%0.228SC..Hα-helixtrans-63.5-33.4174.2-69.5-57.5000111.9V97 R178 L179 F180 S186V97-H182 HydrophobicContact CG1-CB 3.61Å; R178-H182 PolarHBondContact O-CD2 2.94Å; R178-H182 PolarHBondContact O-N 2.97Å; L179-H182 PolarHBondContact O-N 3Å; F180-H182 PolarHBondContact O-N 3.47Å; H182-S186 VanDerWaalsContact O-CB 3.24Å; H182-S186 WeakPolarHBondContact O-CB 3.42Å; H182-S186 PolarHBondContact O-N 3.31Å; H182-S186 PolarHBondContact O-OG 3.02Å
183S98.6Very high98.3Very high8 Ų848.5 Ų48.56%0.05624%0.235CC..Hα-helixtrans-66.1-42174.3-174.70000111.7H94 H98 L179 F180 L181 S186 A187H94-S183 PolarHBondContact CE1-O 3.44Å; H94-S183 VanDerWaalsContact CE1-O 3.23Å; H94-S183 PolarHBondContact ND1-O 3.11Å; H98-S183 PolarHBondContact ND1-OG 3.09Å; L179-S183 VanDerWaalsContact O-CB 3.28Å; L179-S183 WeakPolarHBondContact O-CB 3.25Å; L179-S183 PolarHBondContact O-N 3.44Å; F180-S183 WeakPolarHBondContact O-CB 3.43Å; F180-S183 PolarHBondContact O-N 2.95Å; F180-S183 VanDerWaalsContact O-N 3.12Å; L181-S183 VanDerWaalsContact C-N 3.27Å; L181-S183 PolarHBondContact O-N 3.31Å; S183-S186 PolarHBondContact O-OG 2.95Å; S183-A187 WeakPolarHBondContact O-CB 3.48Å; S183-A187 PolarHBondContact O-N 3Å; S183-A187 VanDerWaalsContact O-N 3.09Å
184V98.7Very high98.3Very high12 Ų1248.6 Ų48.67%0.07324%0.235CC..Hα-helixtrans-68.4-45.6176.4175.40000110.9F180 L181 A187 L188 L262 L265 L266F180-V184 HydrophobicContact CD2-CG2 4.29Å; F180-V184 HydrophobicContact CE1-CG2 4.48Å; F180-V184 HydrophobicContact CE2-CG2 3.83Å; F180-V184 HydrophobicContact CZ-CG2 3.94Å; F180-V184 WeakPolarHBondContact O-CG2 3.35Å; F180-V184 PolarHBondContact O-N 3.39Å; L181-V184 PolarHBondContact O-N 3.49Å; V184-A187 PolarHBondContact O-N 3.33Å; V184-L188 WeakPolarHBondContact O-CB 3.22Å; V184-L188 PolarHBondContact O-N 3.16Å; V184-L262 HydrophobicContact CG1-CD2 4.27Å; V184-L265 HydrophobicContact CG1-CD2 4.22Å; V184-L265 HydrophobicContact CG1-CG 4.45Å; V184-L265 HydrophobicContact CG2-CD2 3.93Å; V184-L266 HydrophobicContact CG1-CB 4.04Å; V184-L266 HydrophobicContact CG1-CD1 4.38Å
185A98.8Very high98.4Very high39 Ų3944.2 Ų44.232%0.32222%0.215SC..Hα-helixtrans-66.6-39.7-179.500000112.9L181 L188 L189 L266L181-A185 WeakPolarHBondContact O-CB 3.27Å; L181-A185 PolarHBondContact O-N 2.87Å; A185-L188 PolarHBondContact O-N 3.45Å; A185-L189 WeakPolarHBondContact O-CB 3.43Å; A185-L189 PolarHBondContact O-N 2.96Å; A185-L266 HydrophobicContact CB-CD1 4.43Å; A185-L266 HydrophobicContact CB-CD2 4.3Å
186S98.6Very high98.5Very high22 Ų2243.1 Ų43.115%0.15422%0.22CC..Hα-helixtrans-70.2-35.3175.254.80000112.8H94 H182 S183 L189 G190H94-S186 PolarHBondContact ND1-OG 3.29Å; H182-S186 VanDerWaalsContact O-CB 3.24Å; H182-S186 WeakPolarHBondContact O-CB 3.42Å; H182-S186 PolarHBondContact O-N 3.31Å; H182-S186 PolarHBondContact O-OG 3.02Å; S183-S186 PolarHBondContact O-OG 2.95Å; S186-L189 PolarHBondContact O-N 3.35Å; S186-G190 PolarHBondContact O-N 3.32Å
187A98.6Very high98.4Very high19 Ų1944 Ų4416%0.15723%0.225CC..Hα-helixtrans-61.8-47.9170.900000111H94 S183 V184 L189 G190 V191 L262H94-A187 PolarHBondContact ND1-N 3.48Å; S183-A187 WeakPolarHBondContact O-CB 3.48Å; S183-A187 PolarHBondContact O-N 3Å; S183-A187 VanDerWaalsContact O-N 3.09Å; V184-A187 PolarHBondContact O-N 3.33Å; A187-L189 PolarHBondContact O-N 3.4Å; A187-G190 PolarHBondContact O-N 2.95Å; A187-V191 WeakPolarHBondContact O-CB 3.29Å; A187-V191 WeakPolarHBondContact O-CG2 3.43Å; A187-V191 PolarHBondContact O-N 2.79Å; A187-L262 HydrophobicContact CB-CD1 3.77Å; A187-L262 HydrophobicContact CB-CD2 4.38Å
188L98.7Very high98.4Very high26 Ų2642.1 Ų42.114%0.13622%0.217CC..Hα-helixtrans-59.1-45.7178.1-179.861.9000111.4V184 A185 L192 T259 L262 L266V184-L188 WeakPolarHBondContact O-CB 3.22Å; V184-L188 PolarHBondContact O-N 3.16Å; A185-L188 PolarHBondContact O-N 3.45Å; L188-L192 HydrophobicContact CD1-CD1 4.08Å; L188-L192 HydrophobicContact CD1-CG 4.25Å; L188-L192 HydrophobicContact CG-CD1 3.94Å; L188-L192 VanDerWaalsContact O-CB 3.29Å; L188-L192 WeakPolarHBondContact O-CB 3.37Å; L188-L192 VanDerWaalsContact O-CG 3.26Å; L188-L192 WeakPolarHBondContact O-CG 3.3Å; L188-L192 PolarHBondContact O-N 2.93Å; L188-T259 HydrophobicContact CD1-CG2 3.88Å; L188-L262 HydrophobicContact CB-CB 4.26Å; L188-L262 HydrophobicContact CD1-CB 4.13Å; L188-L266 HydrophobicContact CD2-CD2 3.66Å
189L98.6Very high98.4Very high91 Ų9135.2 Ų35.248%0.47620%0.197SC..Hα-helixtrans-62.8-45.2177-179.362.4000112.4I90 A185 S186 A187 L192 L193I90-L189 HydrophobicContact CD1-CD2 4.1Å; I90-L189 HydrophobicContact CD1-CG 4.12Å; I90-L189 HydrophobicContact CG1-CD2 4.14Å; I90-L189 HydrophobicContact CG2-CD2 4.39Å; I90-L189 HydrophobicContact CG2-CG 4.24Å; A185-L189 WeakPolarHBondContact O-CB 3.43Å; A185-L189 PolarHBondContact O-N 2.96Å; S186-L189 PolarHBondContact O-N 3.35Å; A187-L189 PolarHBondContact O-N 3.4Å; L189-L192 PolarHBondContact O-N 3.41Å; L189-L193 WeakPolarHBondContact O-CB 3.4Å; L189-L193 PolarHBondContact O-N 3.07Å
190G98.4Very high98.4Very high5 Ų535.4 Ų35.45%0.05220%0.196CC..Hα-helixtrans-63.6-42.2178.700000112.9S186 A187 L194S186-G190 PolarHBondContact O-N 3.32Å; A187-G190 PolarHBondContact O-N 2.95Å; G190-L194 WeakPolarHBondContact O-CB 3.46Å; G190-L194 PolarHBondContact O-N 3.32Å
191V98.6Very high98.3Very high13 Ų1335.1 Ų35.18%0.07920%0.195CC..Hα-helixtrans-70.4-42177.1175.70000111.7F63 A187 L193 L194 V195 G255 T259F63-V191 HydrophobicContact CE2-CG2 4.27Å; A187-V191 WeakPolarHBondContact O-CB 3.29Å; A187-V191 WeakPolarHBondContact O-CG2 3.43Å; A187-V191 PolarHBondContact O-N 2.79Å; V191-L193 VanDerWaalsContact C-N 3.32Å; V191-L193 PolarHBondContact O-N 2.89Å; V191-L194 PolarHBondContact O-N 2.86Å; V191-V195 HydrophobicContact CG1-CG2 4.35Å; V191-V195 WeakPolarHBondContact O-CG2 3.42Å; V191-V195 PolarHBondContact O-N 2.81Å; V191-G255 WeakPolarHBondContact CG1-O 3.27Å; V191-T259 WeakPolarHBondContact CG1-OG1 3.28Å
192L98.5Very high98.2Very high84 Ų8437.2 Ų37.244%0.4420%0.203SC..Hα-helixtrans-57.7-45.4175.5-82.4169000111.7L188 L189 V195 L196 T259L188-L192 HydrophobicContact CD1-CD1 4.08Å; L188-L192 HydrophobicContact CD1-CG 4.25Å; L188-L192 HydrophobicContact CG-CD1 3.94Å; L188-L192 VanDerWaalsContact O-CB 3.29Å; L188-L192 WeakPolarHBondContact O-CB 3.37Å; L188-L192 VanDerWaalsContact O-CG 3.26Å; L188-L192 WeakPolarHBondContact O-CG 3.3Å; L188-L192 PolarHBondContact O-N 2.93Å; L189-L192 PolarHBondContact O-N 3.41Å; L192-V195 PolarHBondContact O-N 3.35Å; L192-L196 PolarHBondContact O-N 3.36Å; L192-T259 HydrophobicContact CD2-CG2 3.5Å; L192-T259 HydrophobicContact CG-CG2 4.02Å
193L97.9Very high98.1Very high26 Ų2635.3 Ų35.314%0.13620%0.199CC..Hα-helixtrans-67.5-39.1177.8-174.363.5000111.9F86 M87 I90 L189 V191 L196 V197F86-L193 HydrophobicContact CD1-CD1 4.18Å; F86-L193 HydrophobicContact CD1-CD2 3.42Å; F86-L193 VanDerWaalsContact CD1-CD2 3.42Å; F86-L193 HydrophobicContact CD1-CG 4.45Å; F86-L193 HydrophobicContact CE1-CD1 3.93Å; F86-L193 HydrophobicContact CE1-CD2 3.5Å; F86-L193 VanDerWaalsContact CE1-CD2 3.5Å; F86-L193 HydrophobicContact CE1-CG 4.37Å; F86-L193 HydrophobicContact CG-CD2 4.41Å; M87-L193 HydrophobicContact CG-CD2 4.05Å; M87-L193 HydrophobicContact SD-CB 4.08Å; M87-L193 HydrophobicContact SD-CD2 3.34Å; M87-L193 WeakPolarHBondContact SD-CD2 3.34Å; M87-L193 HydrophobicContact SD-CG 3.44Å; M87-L193 WeakPolarHBondContact SD-CG 3.42Å; I90-L193 HydrophobicContact CD1-CD2 3.53Å; L189-L193 WeakPolarHBondContact O-CB 3.4Å; L189-L193 PolarHBondContact O-N 3.07Å; V191-L193 VanDerWaalsContact C-N 3.32Å; V191-L193 PolarHBondContact O-N 2.89Å; L193-L196 HydrophobicContact CD1-CD2 4.33Å; L193-L196 WeakPolarHBondContact O-CB 3.34Å; L193-L196 PolarHBondContact O-N 2.9Å; L193-V197 WeakPolarHBondContact O-CG2 3.41Å; L193-V197 PolarHBondContact O-N 3.44Å
194L98.1Very high98Very high2 Ų235.7 Ų35.71%0.0120%0.2CC..Hα-helixtrans-62.1-43174.2-17174.4000111.8F63 L71 M87 G190 V191 V197 A198 L251F63-L194 HydrophobicContact CB-CD2 3.76Å; F63-L194 HydrophobicContact CD1-CD2 3.33Å; F63-L194 HydrophobicContact CE1-CD2 4.04Å; F63-L194 HydrophobicContact CG-CD2 3.74Å; L71-L194 HydrophobicContact CD1-CD1 3.74Å; L71-L194 HydrophobicContact CD1-CG 4.34Å; M87-L194 HydrophobicContact CE-CB 4.16Å; M87-L194 HydrophobicContact CE-CD1 3.53Å; M87-L194 HydrophobicContact CE-CG 4.47Å; G190-L194 WeakPolarHBondContact O-CB 3.46Å; G190-L194 PolarHBondContact O-N 3.32Å; V191-L194 PolarHBondContact O-N 2.86Å; L194-V197 PolarHBondContact O-N 2.92Å; L194-A198 VanDerWaalsContact O-CB 3.25Å; L194-A198 WeakPolarHBondContact O-CB 3.29Å; L194-A198 PolarHBondContact O-N 3.5Å; L194-L251 HydrophobicContact CD2-CD2 4.22Å
195V98.4Very high97.7Very high16 Ų1636.6 Ų36.610%0.09720%0.203CC..Hα-helixtrans-63.6-41.4175.3170.10000111V191 L192 A198 T199 L256V191-V195 HydrophobicContact CG1-CG2 4.35Å; V191-V195 WeakPolarHBondContact O-CG2 3.42Å; V191-V195 PolarHBondContact O-N 2.81Å; L192-V195 PolarHBondContact O-N 3.35Å; V195-A198 PolarHBondContact O-N 3.45Å; V195-T199 VanDerWaalsContact O-CB 3.25Å; V195-T199 WeakPolarHBondContact O-CB 3.44Å; V195-T199 PolarHBondContact O-N 3.39Å; V195-T199 PolarHBondContact O-OG1 3.47Å; V195-L256 HydrophobicContact CG1-CD2 4.1Å; V195-L256 HydrophobicContact CG1-CG 4.33Å
196L98.3Very high97.5Very high117 Ų11741.2 Ų41.261%0.61322%0.216SC*.Hα-helixtrans-59.7-49.2175.4-178.966.5000111.5L192 L193 T199 Y200L192-L196 PolarHBondContact O-N 3.36Å; L193-L196 HydrophobicContact CD1-CD2 4.33Å; L193-L196 WeakPolarHBondContact O-CB 3.34Å; L193-L196 PolarHBondContact O-N 2.9Å; L196-T199 PolarHBondContact O-N 3.3Å; L196-Y200 WeakPolarHBondContact O-CB 3.44Å; L196-Y200 PolarHBondContact O-N 2.92Å
197V97.8Very high97.3Very high18 Ų1845.3 Ų45.311%0.10924%0.24CC..Hα-helixtrans-65.5-43.8178.8174.70000111.3L71 L75 L193 L194 T199 Y200 V201L71-V197 HydrophobicContact CB-CG1 3.86Å; L71-V197 HydrophobicContact CD1-CG1 4.32Å; L75-V197 HydrophobicContact CD1-CG1 4.49Å; L75-V197 HydrophobicContact CD2-CG1 4.17Å; L75-V197 HydrophobicContact CG-CG1 4.48Å; L193-V197 WeakPolarHBondContact O-CG2 3.41Å; L193-V197 PolarHBondContact O-N 3.44Å; L194-V197 PolarHBondContact O-N 2.92Å; V197-T199 VanDerWaalsContact C-N 3.33Å; V197-T199 PolarHBondContact O-N 3.39Å; V197-Y200 PolarHBondContact O-N 2.91Å; V197-V201 WeakPolarHBondContact O-CG2 3.28Å; V197-V201 PolarHBondContact O-N 3.43Å
198A98.1Very high97Very high0 Ų047.7 Ų47.70%025%0.25CS..Hα-helixtrans-62.3-40.3177.200000112L71 L194 V195 V201 F202 I252L71-A198 HydrophobicContact CD1-CB 3.8Å; L71-A198 HydrophobicContact CD2-CB 4.45Å; L194-A198 VanDerWaalsContact O-CB 3.25Å; L194-A198 WeakPolarHBondContact O-CB 3.29Å; L194-A198 PolarHBondContact O-N 3.5Å; V195-A198 PolarHBondContact O-N 3.45Å; A198-V201 PolarHBondContact O-N 3.43Å; A198-F202 VanDerWaalsContact O-CB 3.28Å; A198-F202 WeakPolarHBondContact O-CB 3.26Å; A198-F202 PolarHBondContact O-N 3.05Å; A198-I252 HydrophobicContact CB-CD1 4.35Å; A198-I252 HydrophobicContact CB-CG1 3.78Å
199T98.4Very high96.6Very high56 Ų5648.9 Ų48.934%0.34426%0.259SS..Hα-helixtrans-66.5-41.8176.5-55.80000111.2V195 L196 V197 F202 V203V195-T199 VanDerWaalsContact O-CB 3.25Å; V195-T199 WeakPolarHBondContact O-CB 3.44Å; V195-T199 PolarHBondContact O-N 3.39Å; V195-T199 PolarHBondContact O-OG1 3.47Å; L196-T199 PolarHBondContact O-N 3.3Å; V197-T199 VanDerWaalsContact C-N 3.33Å; V197-T199 PolarHBondContact O-N 3.39Å; T199-F202 PolarHBondContact O-N 2.88Å; T199-V203 HydrophobicContact CG2-CG2 4.34Å; T199-V203 WeakPolarHBondContact O-CB 3.42Å; T199-V203 VanDerWaalsContact O-CG2 3.31Å; T199-V203 WeakPolarHBondContact O-CG2 3.3Å; T199-V203 PolarHBondContact O-N 3.34Å
200Y97.4Very high96Very high47 Ų4749.8 Ų49.818%0.18426%0.262CS..Hα-helixtrans-58.3-51.1173.8172.4-98.5000111.7L75 P76 W79 L196 V197 F202 V203 E204 L212L75-Y200 HydrophobicContact CD2-CD1 3.62Å; L75-Y200 HydrophobicContact CD2-CE1 3.76Å; P76-Y200 HydrophobicContact CG-CE1 4.44Å; P76-Y200 WeakPolarHBondContact CG-OH 3.34Å; W79-Y200 HydrophobicContact CZ3-CE2 4.39Å; L196-Y200 WeakPolarHBondContact O-CB 3.44Å; L196-Y200 PolarHBondContact O-N 2.92Å; V197-Y200 PolarHBondContact O-N 2.91Å; Y200-F202 PolarHBondContact O-N 3.43Å; Y200-V203 PolarHBondContact O-N 3.5Å; Y200-E204 HydrophobicContact CD2-CG 3.99Å; Y200-E204 HydrophobicContact CE1-CG 4.17Å; Y200-E204 HydrophobicContact CE2-CG 3.46Å; Y200-E204 VanDerWaalsContact CE2-CG 3.46Å; Y200-E204 VanDerWaalsContact CE2-OE1 3.23Å; Y200-E204 WeakPolarHBondContact CE2-OE1 3.46Å; Y200-E204 WeakPolarHBondContact O-CB 3.35Å; Y200-E204 WeakPolarHBondContact O-CG 3.35Å; Y200-E204 PolarHBondContact O-N 3.28Å; Y200-E204 PolarHBondContact OH-OE1 2.99Å; Y200-L212 HydrophobicContact CE1-CD2 4.26Å
201V95.8Very high95.6Very high2 Ų254.9 Ų54.91%0.01228%0.28CS..Hα-helixtrans-60.3-44.1177.3171.60000111.2L74 V197 A198 F205 L212L74-V201 HydrophobicContact CB-CG1 4.38Å; L74-V201 HydrophobicContact CB-CG2 4.29Å; L74-V201 HydrophobicContact CD1-CG1 3.98Å; V197-V201 WeakPolarHBondContact O-CG2 3.28Å; V197-V201 PolarHBondContact O-N 3.43Å; A198-V201 PolarHBondContact O-N 3.43Å; V201-F205 WeakPolarHBondContact O-CB 3.37Å; V201-F205 PolarHBondContact O-N 2.97Å; V201-F205 VanDerWaalsContact O-N 3.13Å; V201-L212 HydrophobicContact CG1-CD1 4.31Å; V201-L212 HydrophobicContact CG2-CD2 4.49Å
202F97Very high95.2Very high64 Ų6454.3 Ų54.328%0.28128%0.277SS..Hα-helixtrans-62.5-44.9178.9-173.6-91000112.3A198 T199 Y200 F205 F206 L245 A248 A249 I252A198-F202 VanDerWaalsContact O-CB 3.28Å; A198-F202 WeakPolarHBondContact O-CB 3.26Å; A198-F202 PolarHBondContact O-N 3.05Å; T199-F202 PolarHBondContact O-N 2.88Å; Y200-F202 PolarHBondContact O-N 3.43Å; F202-F205 WeakPolarHBondContact O-CB 3.5Å; F202-F206 HydrophobicContact CD1-CE2 4.11Å; F202-F206 HydrophobicContact CE1-CD2 4.36Å; F202-F206 AromaticContact CE1-CE2 3.71Å; F202-F206 HydrophobicContact CE1-CE2 3.71Å; F202-F206 HydrophobicContact CE2-CE2 4.14Å; F202-F206 HydrophobicContact CG-CE2 4.49Å; F202-F206 AromaticContact CZ-CE2 3.73Å; F202-F206 HydrophobicContact CZ-CE2 3.73Å; F202-F206 HydrophobicContact CZ-CZ 4.32Å; F202-F206 WeakPolarHBondContact O-CD2 3.37Å; F202-L245 HydrophobicContact CD2-CD2 3.91Å; F202-L245 HydrophobicContact CE2-CD2 4.02Å; F202-A248 HydrophobicContact CB-CB 4.41Å; F202-A248 HydrophobicContact CD2-CB 4.15Å; F202-A249 HydrophobicContact CE2-CB 4.1Å; F202-I252 HydrophobicContact CB-CD1 3.98Å; F202-I252 HydrophobicContact CG-CD1 4.23Å
203V97.4Very high94.7Very high74 Ų7451.2 Ų51.245%0.44826%0.259SS..Hα-helixtrans-69.7-47.4-179.8171.10000111.7T199 Y200 F205 F206 V207T199-V203 HydrophobicContact CG2-CG2 4.34Å; T199-V203 WeakPolarHBondContact O-CB 3.42Å; T199-V203 VanDerWaalsContact O-CG2 3.31Å; T199-V203 WeakPolarHBondContact O-CG2 3.3Å; T199-V203 PolarHBondContact O-N 3.34Å; Y200-V203 PolarHBondContact O-N 3.5Å; V203-F205 PolarHBondContact O-N 3.45Å; V203-F206 PolarHBondContact O-N 2.95Å; V203-V207 HydrophobicContact CG1-CG2 3.91Å; V203-V207 WeakPolarHBondContact O-CG2 3.21Å; V203-V207 PolarHBondContact O-N 3.46Å
204E95.4Very high94Very high17 Ų1752.9 Ų52.98%0.07927%0.27CS..Hα-helixtrans-63.8-24.3179.4-72.8-89.6-146.100112.6Y200 F206 V207 N208 R211 L212Y200-E204 HydrophobicContact CD2-CG 3.99Å; Y200-E204 HydrophobicContact CE1-CG 4.17Å; Y200-E204 HydrophobicContact CE2-CG 3.46Å; Y200-E204 VanDerWaalsContact CE2-CG 3.46Å; Y200-E204 VanDerWaalsContact CE2-OE1 3.23Å; Y200-E204 WeakPolarHBondContact CE2-OE1 3.46Å; Y200-E204 WeakPolarHBondContact O-CB 3.35Å; Y200-E204 WeakPolarHBondContact O-CG 3.35Å; Y200-E204 PolarHBondContact O-N 3.28Å; Y200-E204 PolarHBondContact OH-OE1 2.99Å; E204-F206 VanDerWaalsContact C-N 3.26Å; E204-F206 PolarHBondContact O-N 2.91Å; E204-V207 PolarHBondContact O-N 3.03Å; E204-N208 CarbonylContact O-C 3.02Å; E204-N208 WeakPolarHBondContact O-CA 3.27Å; E204-N208 PolarHBondContact O-N 3.47Å; E204-R211 WeakPolarHBondContact OE1-CD 3.43Å; E204-R211 IonicContact OE1-CZ 4Å; E204-R211 IonicContact OE1-NE 3.87Å; E204-R211 IonicContact OE1-NH1 2.7Å; E204-R211 PolarHBondContact OE1-NH1 3.38Å; E204-R211 WeakPolarHBondContact OE2-CD 3.16Å; E204-L212 HydrophobicContact CB-CD1 4.21Å; E204-L212 HydrophobicContact CB-CD2 3.89Å; E204-L212 HydrophobicContact CB-CG 4.09Å
205F93.7Very high93.3Very high30 Ų3054.5 Ų54.513%0.13228%0.279CS..Hα-helixtrans-59.1-37.8172.1-157.5-77.7000112.5V201 F202 V203 L212 W228 A241 L245V201-F205 WeakPolarHBondContact O-CB 3.37Å; V201-F205 PolarHBondContact O-N 2.97Å; V201-F205 VanDerWaalsContact O-N 3.13Å; F202-F205 WeakPolarHBondContact O-CB 3.5Å; V203-F205 PolarHBondContact O-N 3.45Å; F205-L212 HydrophobicContact CB-CD1 4.27Å; F205-L212 HydrophobicContact CD2-CD1 4.21Å; F205-W228 HydrophobicContact CD2-CH2 4.05Å; F205-W228 HydrophobicContact CD2-CZ2 4.04Å; F205-W228 HydrophobicContact CE2-CD2 4.12Å; F205-W228 AromaticContact CE2-CE2 3.49Å; F205-W228 VanDerWaalsContact CE2-CE2 3.49Å; F205-W228 HydrophobicContact CE2-CE3 4.46Å; F205-W228 AromaticContact CE2-CH2 3.7Å; F205-W228 HydrophobicContact CE2-CH2 3.7Å; F205-W228 AromaticContact CE2-CZ2 3.28Å; F205-W228 HydrophobicContact CE2-CZ2 3.28Å; F205-W228 HydrophobicContact CE2-CZ3 4.27Å; F205-W228 AromaticContact CE2-NE1 3.99Å; F205-W228 AromaticContact CZ-CE2 3.73Å; F205-W228 HydrophobicContact CZ-CH2 4.4Å; F205-W228 AromaticContact CZ-CZ2 3.58Å; F205-W228 HydrophobicContact CZ-CZ2 3.58Å; F205-W228 AromaticContact CZ-NE1 3.82Å; F205-A241 HydrophobicContact CE1-CB 4.25Å; F205-A241 HydrophobicContact CZ-CB 3.56Å; F205-L245 HydrophobicContact CB-CD2 3.82Å; F205-L245 HydrophobicContact CD1-CD1 3.76Å; F205-L245 HydrophobicContact CD1-CD2 3.74Å; F205-L245 HydrophobicContact CD1-CG 3.92Å; F205-L245 HydrophobicContact CD2-CD2 4.19Å; F205-L245 HydrophobicContact CD2-CG 4.4Å; F205-L245 HydrophobicContact CE1-CD1 3.77Å; F205-L245 HydrophobicContact CE1-CD2 4.43Å; F205-L245 HydrophobicContact CE1-CG 4.1Å; F205-L245 HydrophobicContact CG-CD1 4.44Å; F205-L245 HydrophobicContact CG-CD2 3.62Å; F205-L245 HydrophobicContact CG-CG 4.1Å; F205-L245 HydrophobicContact CZ-CD1 4.44Å; F205-L245 HydrophobicContact CZ-CG 4.43Å
206F93.9Very high92.5Very high137 Ų13764.2 Ų64.260%0.60131%0.314SS*.Hα-helixtrans-90.3-28.1178-61.5-77.1000113.2F202 V203 E204 L245F202-F206 HydrophobicContact CD1-CE2 4.11Å; F202-F206 HydrophobicContact CE1-CD2 4.36Å; F202-F206 AromaticContact CE1-CE2 3.71Å; F202-F206 HydrophobicContact CE1-CE2 3.71Å; F202-F206 HydrophobicContact CE2-CE2 4.14Å; F202-F206 HydrophobicContact CG-CE2 4.49Å; F202-F206 AromaticContact CZ-CE2 3.73Å; F202-F206 HydrophobicContact CZ-CE2 3.73Å; F202-F206 HydrophobicContact CZ-CZ 4.32Å; F202-F206 WeakPolarHBondContact O-CD2 3.37Å; V203-F206 PolarHBondContact O-N 2.95Å; E204-F206 VanDerWaalsContact C-N 3.26Å; E204-F206 PolarHBondContact O-N 2.91Å; F206-L245 HydrophobicContact CE1-CD1 4.3Å; F206-L245 HydrophobicContact CE2-CD2 3.71Å; F206-L245 HydrophobicContact CZ-CD1 3.84Å; F206-L245 HydrophobicContact CZ-CD2 3.82Å; F206-L245 HydrophobicContact CZ-CG 4.48Å
207V95.4Very high91.6Very high107 Ų10762.1 Ų62.165%0.64830%0.301SS*.Hα-helixtrans-85.1-51.1-177.8174.90000112.1V203 E204V203-V207 HydrophobicContact CG1-CG2 3.91Å; V203-V207 WeakPolarHBondContact O-CG2 3.21Å; V203-V207 PolarHBondContact O-N 3.46Å; E204-V207 PolarHBondContact O-N 3.03Å
208N91.8Very high90.8Very high70 Ų7061.6 Ų61.637%0.37430%0.297SS..  trans-158.883.9-179.1-170.8-13.7000111.5E204 M210 R211E204-N208 CarbonylContact O-C 3.02Å; E204-N208 WeakPolarHBondContact O-CA 3.27Å; E204-N208 PolarHBondContact O-N 3.47Å; N208-M210 PolarHBondContact O-N 3.15Å; N208-M210 WeakPolarHBondContact OD1-CB 3.28Å; N208-M210 PolarHBondContact OD1-N 3.44Å; N208-R211 HydrophobicContact CB-CG 4.05Å; N208-R211 PolarHBondContact O-N 3.5Å
209P89.3Confident89.9Confident50 Ų5067.2 Ų67.233%0.32532%0.323SS..G310 helixtrans-61.3-18.2-176.723.1-33.6000113.7R211 L212 R213 W228P209-R211 PolarHBondContact O-N 2.78Å; P209-L212 PolarHBondContact O-N 3.45Å; P209-R213 PolarHBondContact O-N 3.29Å; P209-W228 HydrophobicContact CB-CH2 3.96Å; P209-W228 HydrophobicContact CB-CZ2 4.04Å
210M86.9Confident88.8Confident111 Ų11170.6 Ų70.655%0.54734%0.344SS..G310 helixtrans-66.7-23174.9-61.9-55.9-60.700113.3N208 L212 R213N208-M210 PolarHBondContact O-N 3.15Å; N208-M210 WeakPolarHBondContact OD1-CB 3.28Å; N208-M210 PolarHBondContact OD1-N 3.44Å; M210-L212 VanDerWaalsContact C-N 3.26Å; M210-L212 PolarHBondContact O-N 3.25Å; M210-R213 PolarHBondContact O-N 2.94Å
211R89.8Confident87.6Confident112 Ų11269.9 Ų69.942%0.42334%0.343SS..G310 helixtrans-70.4-24.6174.6-58-166.982.5-161.710.3113E204 N208 P209 T214E204-R211 WeakPolarHBondContact OE1-CD 3.43Å; E204-R211 IonicContact OE1-CZ 4Å; E204-R211 IonicContact OE1-NE 3.87Å; E204-R211 IonicContact OE1-NH1 2.7Å; E204-R211 PolarHBondContact OE1-NH1 3.38Å; E204-R211 WeakPolarHBondContact OE2-CD 3.16Å; N208-R211 HydrophobicContact CB-CG 4.05Å; N208-R211 PolarHBondContact O-N 3.5Å; P209-R211 PolarHBondContact O-N 2.78Å; R211-T214 VanDerWaalsContact O-CG2 3.27Å; R211-T214 WeakPolarHBondContact O-CG2 3.41Å
212L90.1Very high86.4Confident1 Ų176 Ų761%0.00537%0.369CS..THydrogen-bonded Turntrans-86.1-32.3175.8-52.2178000111.3L74 Y200 V201 E204 F205 P209 M210 T214 W228L74-L212 WeakPolarHBondContact O-CA 3.19Å; L74-L212 WeakPolarHBondContact O-CD2 3.47Å; Y200-L212 HydrophobicContact CE1-CD2 4.26Å; V201-L212 HydrophobicContact CG1-CD1 4.31Å; V201-L212 HydrophobicContact CG2-CD2 4.49Å; E204-L212 HydrophobicContact CB-CD1 4.21Å; E204-L212 HydrophobicContact CB-CD2 3.89Å; E204-L212 HydrophobicContact CB-CG 4.09Å; F205-L212 HydrophobicContact CB-CD1 4.27Å; F205-L212 HydrophobicContact CD2-CD1 4.21Å; P209-L212 PolarHBondContact O-N 3.45Å; M210-L212 VanDerWaalsContact C-N 3.26Å; M210-L212 PolarHBondContact O-N 3.25Å; L212-T214 PolarHBondContact O-N 3.48Å; L212-W228 HydrophobicContact CB-CH2 4.12Å; L212-W228 HydrophobicContact CB-CZ3 3.81Å; L212-W228 HydrophobicContact CD1-CH2 4.32Å; L212-W228 HydrophobicContact CD1-CZ3 4.4Å
213R87.6Confident85.3Confident19 Ų1980 Ų807%0.07239%0.394CS..  trans-8340.2179.5-61.9175.884.199.6-6.3113.6P209 M210 F218 H224 T225 V227 W228P209-R213 PolarHBondContact O-N 3.29Å; M210-R213 PolarHBondContact O-N 2.94Å; R213-F218 HydrophobicContact CB-CB 3.98Å; R213-F218 HydrophobicContact CB-CD1 4.19Å; R213-F218 HydrophobicContact CB-CD2 4.08Å; R213-F218 HydrophobicContact CB-CG 3.83Å; R213-F218 HydrophobicContact CG-CD1 3.98Å; R213-F218 HydrophobicContact CG-CE1 4.21Å; R213-F218 HydrophobicContact CG-CG 4.14Å; R213-H224 PolarHBondContact NH2-O 3.3Å; R213-T225 PolarHBondContact NH1-O 2.94Å; R213-V227 PolarHBondContact NH1-O 3.48Å; R213-V227 PolarHBondContact NH2-O 3.43Å; R213-W228 HydrophobicContact CG-CE3 4.18Å; R213-W228 HydrophobicContact CG-CH2 3.63Å; R213-W228 HydrophobicContact CG-CZ2 4.21Å; R213-W228 HydrophobicContact CG-CZ3 3.6Å
214T84.6Confident84.3Confident60 Ų6081.7 Ų81.737%0.36840%0.396SS..  trans-88.3-2.2-176.156.50000115.1H77 R211 L212H77-T214 PolarHBondContact N-OG1 3.06Å; R211-T214 VanDerWaalsContact O-CG2 3.27Å; R211-T214 WeakPolarHBondContact O-CG2 3.41Å; L212-T214 PolarHBondContact O-N 3.48Å
215N82.8Confident83.4Confident37 Ų3785.7 Ų85.720%0.19842%0.422CS..SBendtrans-82.6143.3176.5-164.7-60.1000111.3H217 F218 L232N215-H217 PolarHBondContact O-N 3.48Å; N215-H217 PolarHBondContact OD1-N 3.29Å; N215-H217 PolarHBondContact OD1-ND1 2.81Å; N215-F218 HydrophobicContact CB-CD2 3.84Å; N215-F218 HydrophobicContact CB-CE2 4.03Å; N215-F218 WeakPolarHBondContact O-CB 3.27Å; N215-F218 PolarHBondContact O-N 2.75Å; N215-L232 HydrophobicContact CB-CD1 4.01Å
216R82.1Confident82.7Confident220 Ų22088 Ų8883%0.8344%0.436SS*.G310 helixtrans-51.6-30178.7-67.6-176.2178.7180-1.2114.3F218 E219R216-F218 PolarHBondContact O-N 3.04Å; R216-E219 PolarHBondContact O-N 2.91Å; R216-E219 VanDerWaalsContact O-N 3.15Å
217H79.4Confident82.2Confident73 Ų7382.5 Ų82.534%0.33841%0.414SS..G310 helixtrans-61.4-23.7176.8-65.682000113.2N215 F229 L232N215-H217 PolarHBondContact O-N 3.48Å; N215-H217 PolarHBondContact OD1-N 3.29Å; N215-H217 PolarHBondContact OD1-ND1 2.81Å; H217-F229 HydrophobicContact CB-CD2 4Å; H217-F229 HydrophobicContact CB-CE2 4.24Å; H217-L232 HydrophobicContact CB-CD1 4.44Å; H217-L232 HydrophobicContact CB-CD2 4.16Å
218F81Confident81.8Confident7 Ų777.6 Ų77.63%0.03138%0.383CS..G310 helixtrans-82.9-18.6176.8-64.5-73.1000114.2R213 N215 R216 V220 L221 K222 W228 F229 L232R213-F218 HydrophobicContact CB-CB 3.98Å; R213-F218 HydrophobicContact CB-CD1 4.19Å; R213-F218 HydrophobicContact CB-CD2 4.08Å; R213-F218 HydrophobicContact CB-CG 3.83Å; R213-F218 HydrophobicContact CG-CD1 3.98Å; R213-F218 HydrophobicContact CG-CE1 4.21Å; R213-F218 HydrophobicContact CG-CG 4.14Å; N215-F218 HydrophobicContact CB-CD2 3.84Å; N215-F218 HydrophobicContact CB-CE2 4.03Å; N215-F218 WeakPolarHBondContact O-CB 3.27Å; N215-F218 PolarHBondContact O-N 2.75Å; R216-F218 PolarHBondContact O-N 3.04Å; F218-V220 VanDerWaalsContact C-N 3.25Å; F218-V220 PolarHBondContact O-N 2.81Å; F218-L221 CarbonylContact O-C 3.54Å; F218-L221 PolarHBondContact O-N 3.42Å; F218-L221 VanDerWaalsContact O-N 3.15Å; F218-K222 PolarHBondContact O-N 3.48Å; F218-W228 HydrophobicContact CE1-CE3 4.26Å; F218-W228 HydrophobicContact CZ-CE3 4.34Å; F218-F229 HydrophobicContact CD1-CD2 4.33Å; F218-F229 HydrophobicContact CE1-CB 4.33Å; F218-F229 HydrophobicContact CE1-CD2 4.18Å; F218-F229 HydrophobicContact CZ-CB 4.16Å; F218-L232 HydrophobicContact CE2-CD1 3.96Å; F218-L232 HydrophobicContact CZ-CD1 4.36Å
219E77.8Confident81.6Confident118 Ų11875.5 Ų75.555%0.55137%0.371SS*.THydrogen-bonded Turntrans-65.5-31.3175.6-68.4-66.4161.200111.7R216 L221 K222R216-E219 PolarHBondContact O-N 2.91Å; R216-E219 VanDerWaalsContact O-N 3.15Å; E219-L221 VanDerWaalsContact C-N 3.28Å; E219-L221 PolarHBondContact O-N 3.45Å; E219-K222 IonicContact OE2-NZ 2.76Å; E219-K222 PolarHBondContact OE2-NZ 3.49Å
220V76Confident81.5Confident127 Ų12773.5 Ų73.577%0.7736%0.358SS*.THydrogen-bonded Turntrans-68.2-29.5175.3-175.20000111.5F218F218-V220 VanDerWaalsContact C-N 3.25Å; F218-V220 PolarHBondContact O-N 2.81Å
221L72.4Confident81.6Confident32 Ų3271.7 Ų71.717%0.16835%0.347CS..THydrogen-bonded Turntrans-104.529-179.7-62.7-174.9000113F218 E219 N223 H224 V227 F229F218-L221 CarbonylContact O-C 3.54Å; F218-L221 PolarHBondContact O-N 3.42Å; F218-L221 VanDerWaalsContact O-N 3.15Å; E219-L221 VanDerWaalsContact C-N 3.28Å; E219-L221 PolarHBondContact O-N 3.45Å; L221-N223 PolarHBondContact O-N 3.46Å; L221-N223 VanDerWaalsContact O-N 3.13Å; L221-H224 HydrophobicContact CB-CB 4.47Å; L221-H224 HydrophobicContact CD2-CB 4.5Å; L221-H224 CarbonylContact O-C 3.53Å; L221-H224 PolarHBondContact O-N 2.88Å; L221-H224 VanDerWaalsContact O-O 3.11Å; L221-V227 HydrophobicContact CD1-CB 4.13Å; L221-V227 HydrophobicContact CD1-CG1 3.82Å; L221-F229 HydrophobicContact CD1-CD2 4.25Å; L221-F229 HydrophobicContact CD1-CE2 3.37Å; L221-F229 HydrophobicContact CD1-CZ 3.65Å; L221-F229 HydrophobicContact CG-CE2 4.08Å; L221-F229 HydrophobicContact CG-CZ 4.45Å
222K69.9Low81.2Confident130 Ų13066.5 Ų66.557%0.56533%0.328SS*.THydrogen-bonded Turntrans-59.1-27-178-158.7167.1-160.8145.50113.8F218 E219F218-K222 PolarHBondContact O-N 3.48Å; E219-K222 IonicContact OE2-NZ 2.76Å; E219-K222 PolarHBondContact OE2-NZ 3.49Å
223N74.3Confident80.7Confident149 Ų14971.3 Ų71.380%0.79736%0.359SS*.THydrogen-bonded Turntrans-92.9-8.4178.1-60.8-9.1000113.6L221L221-N223 PolarHBondContact O-N 3.46Å; L221-N223 VanDerWaalsContact O-N 3.13Å
224H76.9Confident80.5Confident109 Ų10975 Ų7551%0.50539%0.393SS..  trans-121.388.2-177.6-66.4-77.4000109.9R213 L221R213-H224 PolarHBondContact NH2-O 3.3Å; L221-H224 HydrophobicContact CB-CB 4.47Å; L221-H224 HydrophobicContact CD2-CB 4.5Å; L221-H224 CarbonylContact O-C 3.53Å; L221-H224 PolarHBondContact O-N 2.88Å; L221-H224 VanDerWaalsContact O-O 3.11Å
225T76.2Confident80.6Confident101 Ų10174.7 Ų74.762%0.6240%0.397SS*.  trans-83.4-15.1-171.553.10000114.1R213 W228R213-T225 PolarHBondContact NH1-O 2.94Å; T225-W228 PolarHBondContact O-NE1 3.41Å
226D78.2Confident80.8Confident78 Ų7876.1 Ų76.142%0.41741%0.408SS..SBendtrans-76.7-36.2179.260.6-39.2000113.2W228 Q240 A241D226-W228 VanDerWaalsContact O-CD1 3.29Å; D226-Q240 PolarHBondContact O-OE1 2.87Å; D226-A241 PolarHBondContact O-N 3.39Å
227V84.6Confident81.1Confident22 Ų2269 Ų6913%0.13339%0.389CS..EExtended strand (participates in β ladder)trans-81137.3176.9-176.50000111.1R213 L221 E238R213-V227 PolarHBondContact NH1-O 3.48Å; R213-V227 PolarHBondContact NH2-O 3.43Å; L221-V227 HydrophobicContact CD1-CB 4.13Å; L221-V227 HydrophobicContact CD1-CG1 3.82Å; V227-E238 HydrophobicContact CG1-CB 4.4Å; V227-E238 HydrophobicContact CG1-CG 4.29Å
228W87.3Confident81.5Confident4 Ų472.1 Ų72.12%0.01540%0.404CS..EExtended strand (participates in β ladder)trans-129.9155.6176.2-68.870.8000111.4L74 F205 P209 L212 R213 F218 T225 D226 E238 T239 I244L74-W228 HydrophobicContact CD2-CE3 3.87Å; L74-W228 HydrophobicContact CD2-CZ3 4.04Å; F205-W228 HydrophobicContact CD2-CH2 4.05Å; F205-W228 HydrophobicContact CD2-CZ2 4.04Å; F205-W228 HydrophobicContact CE2-CD2 4.12Å; F205-W228 AromaticContact CE2-CE2 3.49Å; F205-W228 VanDerWaalsContact CE2-CE2 3.49Å; F205-W228 HydrophobicContact CE2-CE3 4.46Å; F205-W228 AromaticContact CE2-CH2 3.7Å; F205-W228 HydrophobicContact CE2-CH2 3.7Å; F205-W228 AromaticContact CE2-CZ2 3.28Å; F205-W228 HydrophobicContact CE2-CZ2 3.28Å; F205-W228 HydrophobicContact CE2-CZ3 4.27Å; F205-W228 AromaticContact CE2-NE1 3.99Å; F205-W228 AromaticContact CZ-CE2 3.73Å; F205-W228 HydrophobicContact CZ-CH2 4.4Å; F205-W228 AromaticContact CZ-CZ2 3.58Å; F205-W228 HydrophobicContact CZ-CZ2 3.58Å; F205-W228 AromaticContact CZ-NE1 3.82Å; P209-W228 HydrophobicContact CB-CH2 3.96Å; P209-W228 HydrophobicContact CB-CZ2 4.04Å; L212-W228 HydrophobicContact CB-CH2 4.12Å; L212-W228 HydrophobicContact CB-CZ3 3.81Å; L212-W228 HydrophobicContact CD1-CH2 4.32Å; L212-W228 HydrophobicContact CD1-CZ3 4.4Å; R213-W228 HydrophobicContact CG-CE3 4.18Å; R213-W228 HydrophobicContact CG-CH2 3.63Å; R213-W228 HydrophobicContact CG-CZ2 4.21Å; R213-W228 HydrophobicContact CG-CZ3 3.6Å; F218-W228 HydrophobicContact CE1-CE3 4.26Å; F218-W228 HydrophobicContact CZ-CE3 4.34Å; T225-W228 PolarHBondContact O-NE1 3.41Å; D226-W228 VanDerWaalsContact O-CD1 3.29Å; W228-E238 CarbonylContact O-C 3.51Å; W228-E238 WeakPolarHBondContact O-CA 3.41Å; W228-T239 WeakPolarHBondContact CA-O 3.31Å; W228-T239 WeakPolarHBondContact CB-O 3.39Å; W228-T239 PolarHBondContact N-O 3.04Å; W228-T239 PolarHBondContact O-N 2.94Å; W228-I244 HydrophobicContact CB-CD1 3.4Å; W228-I244 HydrophobicContact CD2-CD1 4.09Å; W228-I244 HydrophobicContact CE3-CD1 4.22Å; W228-I244 HydrophobicContact CG-CD1 3.75Å
229F86Confident82Confident26 Ų2673.3 Ų73.311%0.11441%0.412CS..EExtended strand (participates in β ladder)trans-111136173.8-69.7-66.8000111.5H217 F218 L221 L232 P236 V237 E238H217-F229 HydrophobicContact CB-CD2 4Å; H217-F229 HydrophobicContact CB-CE2 4.24Å; F218-F229 HydrophobicContact CD1-CD2 4.33Å; F218-F229 HydrophobicContact CE1-CB 4.33Å; F218-F229 HydrophobicContact CE1-CD2 4.18Å; F218-F229 HydrophobicContact CZ-CB 4.16Å; L221-F229 HydrophobicContact CD1-CD2 4.25Å; L221-F229 HydrophobicContact CD1-CE2 3.37Å; L221-F229 HydrophobicContact CD1-CZ 3.65Å; L221-F229 HydrophobicContact CG-CE2 4.08Å; L221-F229 HydrophobicContact CG-CZ 4.45Å; F229-L232 HydrophobicContact CB-CD1 3.88Å; F229-L232 HydrophobicContact CB-CD2 4.01Å; F229-L232 HydrophobicContact CB-CG 3.97Å; F229-P236 HydrophobicContact CD1-CB 4.11Å; F229-V237 WeakPolarHBondContact CA-O 3.42Å; F229-E238 HydrophobicContact CD1-CG 4.05Å; F229-E238 HydrophobicContact CE1-CG 3.52Å; F229-E238 HydrophobicContact CZ-CG 4.37Å
230V87.2Confident82.6Confident7 Ų772.4 Ų72.44%0.04241%0.407CS..EExtended strand (participates in β ladder)trans-120.3168.6170.1-63.20000110.7V70 L232 V237 I244V70-V230 HydrophobicContact CB-CG1 4.42Å; V70-V230 HydrophobicContact CG1-CG1 3.84Å; V70-V230 HydrophobicContact CG2-CB 4.17Å; V70-V230 HydrophobicContact CG2-CG1 4.21Å; V230-L232 PolarHBondContact O-N 3.38Å; V230-V237 HydrophobicContact CG2-CB 4.03Å; V230-V237 HydrophobicContact CG2-CG1 4.41Å; V230-V237 PolarHBondContact N-O 3.23Å; V230-V237 PolarHBondContact O-N 3.4Å; V230-I244 HydrophobicContact CG1-CD1 4.1Å; V230-I244 HydrophobicContact CG1-CG1 4.38Å
231F88.7Confident83.2Confident73 Ų7367.2 Ų67.232%0.3238%0.378SS..SBendtrans58.826.1-174.6-58.7-78.5000115.1V65 G69 V70 A234 A235 V237V65-F231 HydrophobicContact CG1-CE1 3.95Å; V65-F231 HydrophobicContact CG1-CZ 4.09Å; G69-F231 WeakPolarHBondContact O-CA 3.36Å; G69-F231 PolarHBondContact O-N 3.37Å; V70-F231 HydrophobicContact CG2-CZ 4.43Å; F231-A234 PolarHBondContact O-N 3.14Å; F231-A235 HydrophobicContact CB-CB 4.48Å; F231-A235 VanDerWaalsContact CB-O 3.22Å; F231-A235 WeakPolarHBondContact CB-O 3.26Å; F231-A235 PolarHBondContact O-N 3.28Å; F231-V237 HydrophobicContact CD2-CB 4.45Å; F231-V237 HydrophobicContact CD2-CG2 4.31Å
232L83Confident84.2Confident4 Ų470 Ų702%0.02140%0.398CS..THydrogen-bonded Turntrans-68.6144.5175.3-66175.6000112.6P73 N215 H217 F218 F229 V230 P236P73-L232 HydrophobicContact CB-CB 4.25Å; N215-L232 HydrophobicContact CB-CD1 4.01Å; H217-L232 HydrophobicContact CB-CD1 4.44Å; H217-L232 HydrophobicContact CB-CD2 4.16Å; F218-L232 HydrophobicContact CE2-CD1 3.96Å; F218-L232 HydrophobicContact CZ-CD1 4.36Å; F229-L232 HydrophobicContact CB-CD1 3.88Å; F229-L232 HydrophobicContact CB-CD2 4.01Å; F229-L232 HydrophobicContact CB-CG 3.97Å; V230-L232 PolarHBondContact O-N 3.38Å; L232-P236 HydrophobicContact CD2-CB 3.82Å
233P78.6Confident85.3Confident101 Ų10166.1 Ų66.166%0.65639%0.39SS*.THydrogen-bonded Turncis-87.6-0.7-936.9-35.9000113.3
234A83.3Confident86.1Confident97 Ų9759.3 Ų59.380%0.80235%0.354SS*.THydrogen-bonded Turntrans-71.6-36.6-165.100000114.3F231F231-A234 PolarHBondContact O-N 3.14Å
235A86.6Confident87Confident53 Ų5355.6 Ų55.644%0.43834%0.338SS..SBendtrans-154.381.2178.900000109.4F231 V237F231-A235 HydrophobicContact CB-CB 4.48Å; F231-A235 VanDerWaalsContact CB-O 3.22Å; F231-A235 WeakPolarHBondContact CB-O 3.26Å; F231-A235 PolarHBondContact O-N 3.28Å; A235-V237 PolarHBondContact O-N 2.94Å
236P86.9Confident87.9Confident68 Ų6853.8 Ų53.844%0.44233%0.333SS..  trans-56.4115.1179.722.1-32.5000111F229 L232F229-P236 HydrophobicContact CD1-CB 4.11Å; L232-P236 HydrophobicContact CD2-CB 3.82Å
237V88.5Confident88.7Confident70 Ų7052.2 Ų52.242%0.42432%0.324SS..EExtended strand (participates in β ladder)trans-112.1126.31731750000108.6F229 V230 F231 A235F229-V237 WeakPolarHBondContact CA-O 3.42Å; V230-V237 HydrophobicContact CG2-CB 4.03Å; V230-V237 HydrophobicContact CG2-CG1 4.41Å; V230-V237 PolarHBondContact N-O 3.23Å; V230-V237 PolarHBondContact O-N 3.4Å; F231-V237 HydrophobicContact CD2-CB 4.45Å; F231-V237 HydrophobicContact CD2-CG2 4.31Å; A235-V237 PolarHBondContact O-N 2.94Å
238E88.8Confident89.3Confident138 Ų13851.3 Ų51.365%0.64532%0.319SS*.EExtended strand (participates in β ladder)trans-68.4138.2173.9-69.3177.8-167.200110.7V227 W228 F229V227-E238 HydrophobicContact CG1-CB 4.4Å; V227-E238 HydrophobicContact CG1-CG 4.29Å; W228-E238 CarbonylContact O-C 3.51Å; W228-E238 WeakPolarHBondContact O-CA 3.41Å; F229-E238 HydrophobicContact CD1-CG 4.05Å; F229-E238 HydrophobicContact CE1-CG 3.52Å; F229-E238 HydrophobicContact CZ-CG 4.37Å
239T90.3Very high89.8Confident33 Ų3353.1 Ų53.120%0.20234%0.335CS..EExtended strand (participates in β ladder)trans-151.3144.1-176.2-650000109.5W228 A243 I244W228-T239 WeakPolarHBondContact CA-O 3.31Å; W228-T239 WeakPolarHBondContact CB-O 3.39Å; W228-T239 PolarHBondContact N-O 3.04Å; W228-T239 PolarHBondContact O-N 2.94Å; T239-A243 HydrophobicContact CG2-CB 3.82Å; T239-I244 HydrophobicContact CG2-CD1 4.36Å; T239-I244 HydrophobicContact CG2-CG1 3.81Å
240Q89.9Confident90.3Very high98 Ų9856.5 Ų56.546%0.45835%0.354SS..EExtended strand (participates in β ladder)trans-83.1144.1-179.8-66.4-63.5-30.400111.6D226 P242 A243 I244D226-Q240 PolarHBondContact O-OE1 2.87Å; Q240-P242 VanDerWaalsContact C-CD 3.46Å; Q240-A243 WeakPolarHBondContact O-CB 3.39Å; Q240-A243 PolarHBondContact O-N 2.99Å; Q240-I244 PolarHBondContact O-N 2.79Å
241A90.3Very high90.8Very high19 Ų1956.2 Ų56.216%0.15735%0.352CS..Hα-helixtrans-41.8-49.2177.200000115F205 D226 A243 I244 L245F205-A241 HydrophobicContact CE1-CB 4.25Å; F205-A241 HydrophobicContact CZ-CB 3.56Å; D226-A241 PolarHBondContact O-N 3.39Å; A241-A243 VanDerWaalsContact C-N 3.28Å; A241-A243 PolarHBondContact O-N 2.86Å; A241-I244 PolarHBondContact O-N 3.25Å; A241-L245 PolarHBondContact O-N 3.03Å
242P92.6Very high91.3Very high89 Ų8954.1 Ų54.158%0.57834%0.344SS*.Hα-helixtrans-65.7-27.5-179.3-21.835.2000114Q240 L245 A246Q240-P242 VanDerWaalsContact C-CD 3.46Å; P242-L245 PolarHBondContact O-N 3.29Å; P242-A246 VanDerWaalsContact O-CB 3.29Å; P242-A246 WeakPolarHBondContact O-CB 3.43Å; P242-A246 PolarHBondContact O-N 2.91Å
243A92.8Very high92Very high50 Ų5059.8 Ų59.841%0.41337%0.374SS..Hα-helixtrans-70.9-38.6179.500000111.5T239 Q240 A241 L247T239-A243 HydrophobicContact CG2-CB 3.82Å; Q240-A243 WeakPolarHBondContact O-CB 3.39Å; Q240-A243 PolarHBondContact O-N 2.99Å; A241-A243 VanDerWaalsContact C-N 3.28Å; A241-A243 PolarHBondContact O-N 2.86Å; A243-L247 WeakPolarHBondContact O-CB 3.21Å; A243-L247 PolarHBondContact O-N 3.45Å
244I92.2Very high92.9Very high5 Ų557.2 Ų57.23%0.02635%0.354CS..Hα-helixtrans-65-44.7173.7-64176.7000110.3L74 W228 V230 T239 Q240 A241 L247 A248L74-I244 HydrophobicContact CD1-CD1 4.48Å; L74-I244 HydrophobicContact CD1-CG2 3.92Å; W228-I244 HydrophobicContact CB-CD1 3.4Å; W228-I244 HydrophobicContact CD2-CD1 4.09Å; W228-I244 HydrophobicContact CE3-CD1 4.22Å; W228-I244 HydrophobicContact CG-CD1 3.75Å; V230-I244 HydrophobicContact CG1-CD1 4.1Å; V230-I244 HydrophobicContact CG1-CG1 4.38Å; T239-I244 HydrophobicContact CG2-CD1 4.36Å; T239-I244 HydrophobicContact CG2-CG1 3.81Å; Q240-I244 PolarHBondContact O-N 2.79Å; A241-I244 PolarHBondContact O-N 3.25Å; I244-L247 PolarHBondContact O-N 2.84Å; I244-A248 WeakPolarHBondContact O-CB 3.27Å; I244-A248 PolarHBondContact O-N 3.26Å
245L94.3Very high93.6Very high32 Ų3252.6 Ų52.617%0.16832%0.316CS..Hα-helixtrans-61.9-46.2177-74.9175.2000112.6F202 F205 F206 A241 P242 A248 A249F202-L245 HydrophobicContact CD2-CD2 3.91Å; F202-L245 HydrophobicContact CE2-CD2 4.02Å; F205-L245 HydrophobicContact CB-CD2 3.82Å; F205-L245 HydrophobicContact CD1-CD1 3.76Å; F205-L245 HydrophobicContact CD1-CD2 3.74Å; F205-L245 HydrophobicContact CD1-CG 3.92Å; F205-L245 HydrophobicContact CD2-CD2 4.19Å; F205-L245 HydrophobicContact CD2-CG 4.4Å; F205-L245 HydrophobicContact CE1-CD1 3.77Å; F205-L245 HydrophobicContact CE1-CD2 4.43Å; F205-L245 HydrophobicContact CE1-CG 4.1Å; F205-L245 HydrophobicContact CG-CD1 4.44Å; F205-L245 HydrophobicContact CG-CD2 3.62Å; F205-L245 HydrophobicContact CG-CG 4.1Å; F205-L245 HydrophobicContact CZ-CD1 4.44Å; F205-L245 HydrophobicContact CZ-CG 4.43Å; F206-L245 HydrophobicContact CE1-CD1 4.3Å; F206-L245 HydrophobicContact CE2-CD2 3.71Å; F206-L245 HydrophobicContact CZ-CD1 3.84Å; F206-L245 HydrophobicContact CZ-CD2 3.82Å; F206-L245 HydrophobicContact CZ-CG 4.48Å; A241-L245 PolarHBondContact O-N 3.03Å; P242-L245 PolarHBondContact O-N 3.29Å; L245-A248 PolarHBondContact O-N 2.89Å; L245-A249 WeakPolarHBondContact O-CB 3.37Å; L245-A249 PolarHBondContact O-N 2.9Å
246A96.1Very high94.2Very high63 Ų6354.7 Ų54.752%0.52132%0.319SS..Hα-helixtrans-63.5-41.4177.700000112P242 A249 L250P242-A246 VanDerWaalsContact O-CB 3.29Å; P242-A246 WeakPolarHBondContact O-CB 3.43Å; P242-A246 PolarHBondContact O-N 2.91Å; A246-A249 PolarHBondContact O-N 3Å; A246-L250 WeakPolarHBondContact O-CB 3.49Å; A246-L250 PolarHBondContact O-N 2.75Å
247L95.4Very high94.7Very high44 Ų4456 Ų5623%0.2332%0.322CS..Hα-helixtrans-65.5-42.6176.418059.9000112.1F62 I66 V70 A243 I244 L250 L251F62-L247 HydrophobicContact CZ-CD1 4.48Å; I66-L247 HydrophobicContact CD1-CD1 4.31Å; I66-L247 HydrophobicContact CD1-CD2 4.29Å; I66-L247 HydrophobicContact CG1-CD1 4.3Å; I66-L247 HydrophobicContact CG2-CD1 4.1Å; I66-L247 HydrophobicContact CG2-CD2 3.74Å; I66-L247 HydrophobicContact CG2-CG 3.89Å; V70-L247 HydrophobicContact CG1-CD2 4.31Å; V70-L247 HydrophobicContact CG2-CD2 4.18Å; A243-L247 WeakPolarHBondContact O-CB 3.21Å; A243-L247 PolarHBondContact O-N 3.45Å; I244-L247 PolarHBondContact O-N 2.84Å; L247-L250 PolarHBondContact O-N 3Å; L247-L251 WeakPolarHBondContact O-CB 3.49Å; L247-L251 WeakPolarHBondContact O-CG 3.42Å; L247-L251 PolarHBondContact O-N 2.74Å
248A96.1Very high95.2Very high3 Ų353.6 Ų53.63%0.02531%0.308CS..Hα-helixtrans-64.5-43.8174.900000111.7F202 I244 L245 L251 I252F202-A248 HydrophobicContact CB-CB 4.41Å; F202-A248 HydrophobicContact CD2-CB 4.15Å; I244-A248 WeakPolarHBondContact O-CB 3.27Å; I244-A248 PolarHBondContact O-N 3.26Å; L245-A248 PolarHBondContact O-N 2.89Å; A248-L251 WeakPolarHBondContact O-CB 3.16Å; A248-L251 PolarHBondContact O-N 3.09Å; A248-I252 WeakPolarHBondContact O-CD1 3.25Å; A248-I252 VanDerWaalsContact O-CG1 3.24Å; A248-I252 WeakPolarHBondContact O-CG1 3.4Å; A248-I252 PolarHBondContact O-N 3.33Å
249A97.5Very high95.6Very high43 Ų4348.2 Ų48.236%0.35529%0.285SS..Hα-helixtrans-62.2-43.3175.900000112.4F202 L245 A246 I252 L253F202-A249 HydrophobicContact CE2-CB 4.1Å; L245-A249 WeakPolarHBondContact O-CB 3.37Å; L245-A249 PolarHBondContact O-N 2.9Å; A246-A249 PolarHBondContact O-N 3Å; A249-I252 PolarHBondContact O-N 3.24Å; A249-L253 WeakPolarHBondContact O-CB 3.38Å; A249-L253 PolarHBondContact O-N 3.14Å
250L97.3Very high96Very high96 Ų9649.7 Ų49.750%0.50330%0.3SS..Hα-helixtrans-61.6-43.3174.717862.5000111.7A246 L247 L253 L254A246-L250 WeakPolarHBondContact O-CB 3.49Å; A246-L250 PolarHBondContact O-N 2.75Å; L247-L250 PolarHBondContact O-N 3Å; L250-L253 PolarHBondContact O-N 3.02Å; L250-L254 VanDerWaalsContact O-CB 3.29Å; L250-L254 WeakPolarHBondContact O-CB 3.25Å; L250-L254 PolarHBondContact O-N 2.98Å
251L97.4Very high96.4Very high2 Ų250.4 Ų50.41%0.0131%0.307CS..Hα-helixtrans-62.7-43.5175.4-85.5174.3000112.8F62 F63 I66 L71 L194 L247 A248 G255F62-L251 HydrophobicContact CD1-CD2 4.41Å; F62-L251 HydrophobicContact CE1-CD2 3.6Å; F62-L251 HydrophobicContact CE1-CG 4.47Å; F62-L251 HydrophobicContact CZ-CD2 4.06Å; F63-L251 HydrophobicContact CD1-CD2 3.66Å; F63-L251 HydrophobicContact CE1-CD2 3.9Å; I66-L251 HydrophobicContact CB-CD1 4.03Å; I66-L251 HydrophobicContact CG2-CD1 3.38Å; I66-L251 HydrophobicContact CG2-CG 4.37Å; L71-L251 HydrophobicContact CD1-CD1 4.04Å; L71-L251 HydrophobicContact CD2-CD1 4.35Å; L71-L251 HydrophobicContact CG-CD1 4.32Å; L194-L251 HydrophobicContact CD2-CD2 4.22Å; L247-L251 WeakPolarHBondContact O-CB 3.49Å; L247-L251 WeakPolarHBondContact O-CG 3.42Å; L247-L251 PolarHBondContact O-N 2.74Å; A248-L251 WeakPolarHBondContact O-CB 3.16Å; A248-L251 PolarHBondContact O-N 3.09Å; L251-G255 WeakPolarHBondContact O-CA 3.37Å; L251-G255 PolarHBondContact O-N 3.13Å
252I98.4Very high96.8Very high28 Ų2851.3 Ų51.314%0.14431%0.309CS..Hα-helixtrans-62-48176.9-69.2162.2000109.4A198 F202 A248 A249 G255 L256A198-I252 HydrophobicContact CB-CD1 4.35Å; A198-I252 HydrophobicContact CB-CG1 3.78Å; F202-I252 HydrophobicContact CB-CD1 3.98Å; F202-I252 HydrophobicContact CG-CD1 4.23Å; A248-I252 WeakPolarHBondContact O-CD1 3.25Å; A248-I252 VanDerWaalsContact O-CG1 3.24Å; A248-I252 WeakPolarHBondContact O-CG1 3.4Å; A248-I252 PolarHBondContact O-N 3.33Å; A249-I252 PolarHBondContact O-N 3.24Å; I252-G255 PolarHBondContact O-N 3.12Å; I252-L256 HydrophobicContact CG2-CD1 3.74Å; I252-L256 HydrophobicContact CG2-CG 4.29Å; I252-L256 VanDerWaalsContact O-CB 3.32Å; I252-L256 WeakPolarHBondContact O-CB 3.26Å; I252-L256 WeakPolarHBondContact O-CG 3.49Å; I252-L256 PolarHBondContact O-N 3.29Å
253L98.4Very high97Very high124 Ų12447.9 Ų47.965%0.64929%0.289SS*.Hα-helixtrans-60.3-50.5178.5179.962.7000112.4A249 L250 G255 L256 L257A249-L253 WeakPolarHBondContact O-CB 3.38Å; A249-L253 PolarHBondContact O-N 3.14Å; L250-L253 PolarHBondContact O-N 3.02Å; L253-G255 VanDerWaalsContact C-N 3.34Å; L253-G255 PolarHBondContact O-N 3.45Å; L253-L256 PolarHBondContact O-N 2.94Å; L253-L257 WeakPolarHBondContact O-CB 3.27Å; L253-L257 PolarHBondContact O-N 3.38Å
254L98Very high97.3Very high47 Ų4752.3 Ų52.325%0.24630%0.301CS..Hα-helixtrans-67.4-36.1-179.6-17564.1000112L59 F62 F63 L250 S258L59-L254 HydrophobicContact CD2-CD2 3.97Å; F62-L254 HydrophobicContact CD1-CD2 4.25Å; F62-L254 HydrophobicContact CE1-CD2 3.9Å; F63-L254 HydrophobicContact CE1-CD2 3.9Å; F63-L254 HydrophobicContact CE1-CG 4.19Å; F63-L254 HydrophobicContact CZ-CD2 3.87Å; F63-L254 HydrophobicContact CZ-CG 3.87Å; L250-L254 VanDerWaalsContact O-CB 3.29Å; L250-L254 WeakPolarHBondContact O-CB 3.25Å; L250-L254 PolarHBondContact O-N 2.98Å; L254-S258 VanDerWaalsContact O-CB 3.26Å; L254-S258 WeakPolarHBondContact O-CB 3.42Å; L254-S258 PolarHBondContact O-N 2.97Å; L254-S258 PolarHBondContact O-OG 3.41Å
255G98.1Very high97.6Very high0 Ų054.7 Ų54.70%031%0.314CS..Hα-helixtrans-70.6-40.4177.100000112.8V191 L251 I252 L253 S258 T259V191-G255 WeakPolarHBondContact CG1-O 3.27Å; L251-G255 WeakPolarHBondContact O-CA 3.37Å; L251-G255 PolarHBondContact O-N 3.13Å; I252-G255 PolarHBondContact O-N 3.12Å; L253-G255 VanDerWaalsContact C-N 3.34Å; L253-G255 PolarHBondContact O-N 3.45Å; G255-S258 PolarHBondContact O-N 3.21Å; G255-T259 VanDerWaalsContact O-CB 3.26Å; G255-T259 WeakPolarHBondContact O-CB 3.4Å; G255-T259 PolarHBondContact O-N 3.47Å; G255-T259 PolarHBondContact O-OG1 3.31Å
256L98.4Very high97.8Very high96 Ų9654.6 Ų54.650%0.50331%0.313SS..Hα-helixtrans-64.7-44173.2-73.5171.5000111.5V195 I252 L253 T259 A260V195-L256 HydrophobicContact CG1-CD2 4.1Å; V195-L256 HydrophobicContact CG1-CG 4.33Å; I252-L256 HydrophobicContact CG2-CD1 3.74Å; I252-L256 HydrophobicContact CG2-CG 4.29Å; I252-L256 VanDerWaalsContact O-CB 3.32Å; I252-L256 WeakPolarHBondContact O-CB 3.26Å; I252-L256 WeakPolarHBondContact O-CG 3.49Å; I252-L256 PolarHBondContact O-N 3.29Å; L253-L256 PolarHBondContact O-N 2.94Å; L256-T259 WeakPolarHBondContact O-CB 3.49Å; L256-T259 PolarHBondContact O-N 2.95Å; L256-A260 PolarHBondContact O-N 2.96Å
257L98.3Very high97.9Very high95 Ų9555.5 Ų55.550%0.49732%0.315SS..Hα-helixtrans-60-46.9173.9177.561.2000111.4L253 T259 A260 L261L253-L257 WeakPolarHBondContact O-CB 3.27Å; L253-L257 PolarHBondContact O-N 3.38Å; L257-T259 VanDerWaalsContact C-N 3.34Å; L257-T259 PolarHBondContact O-N 3.4Å; L257-A260 PolarHBondContact O-N 3.4Å; L257-L261 HydrophobicContact CD1-CD1 4.06Å; L257-L261 HydrophobicContact CD1-CG 4.3Å; L257-L261 HydrophobicContact CG-CD1 4.1Å; L257-L261 WeakPolarHBondContact O-CG 3.48Å; L257-L261 PolarHBondContact O-N 2.93Å
258S97.9Very high98.1Very high20 Ų2056 Ų5614%0.1432%0.315CS..Hα-helixtrans-62.9-40.4177.8-61.60000111.9L254 G255 L261 L262L254-S258 VanDerWaalsContact O-CB 3.26Å; L254-S258 WeakPolarHBondContact O-CB 3.42Å; L254-S258 PolarHBondContact O-N 2.97Å; L254-S258 PolarHBondContact O-OG 3.41Å; G255-S258 PolarHBondContact O-N 3.21Å; S258-L261 PolarHBondContact O-N 2.98Å; S258-L262 VanDerWaalsContact O-CB 3.28Å; S258-L262 WeakPolarHBondContact O-CB 3.39Å; S258-L262 VanDerWaalsContact O-CG 3.27Å; S258-L262 WeakPolarHBondContact O-CG 3.29Å; S258-L262 PolarHBondContact O-N 3.07Å
259T98.2Very high98.1Very high25 Ų2556 Ų5615%0.15332%0.315CS..Hα-helixtrans-61.3-46174.8-62.50000111.4L188 V191 L192 G255 L256 L257 G263L188-T259 HydrophobicContact CD1-CG2 3.88Å; V191-T259 WeakPolarHBondContact CG1-OG1 3.28Å; L192-T259 HydrophobicContact CD2-CG2 3.5Å; L192-T259 HydrophobicContact CG-CG2 4.02Å; G255-T259 VanDerWaalsContact O-CB 3.26Å; G255-T259 WeakPolarHBondContact O-CB 3.4Å; G255-T259 PolarHBondContact O-N 3.47Å; G255-T259 PolarHBondContact O-OG1 3.31Å; L256-T259 WeakPolarHBondContact O-CB 3.49Å; L256-T259 PolarHBondContact O-N 2.95Å; L257-T259 VanDerWaalsContact C-N 3.34Å; L257-T259 PolarHBondContact O-N 3.4Å; T259-G263 WeakPolarHBondContact O-CA 3.34Å; T259-G263 PolarHBondContact O-N 3.45Å
260A98.4Very high98.2Very high64 Ų6458.1 Ų58.153%0.52932%0.319SS..Hα-helixtrans-62.9-45.2178.300000111.9L256 L257 H264L256-A260 PolarHBondContact O-N 2.96Å; L257-A260 PolarHBondContact O-N 3.4Å; A260-H264 VanDerWaalsContact O-CB 3.27Å; A260-H264 WeakPolarHBondContact O-CB 3.5Å; A260-H264 PolarHBondContact O-N 3.19Å
261L97.9Very high98.2Very high113 Ų11358.3 Ų58.359%0.59231%0.314SS*.Hα-helixtrans-67.5-46.5179.8-67.4172.5000112.5L257 S258 L265L257-L261 HydrophobicContact CD1-CD1 4.06Å; L257-L261 HydrophobicContact CD1-CG 4.3Å; L257-L261 HydrophobicContact CG-CD1 4.1Å; L257-L261 WeakPolarHBondContact O-CG 3.48Å; L257-L261 PolarHBondContact O-N 2.93Å; S258-L261 PolarHBondContact O-N 2.98Å; L261-L265 WeakPolarHBondContact O-CB 3.44Å; L261-L265 PolarHBondContact O-N 3.47Å
262L98.3Very high98.2Very high38 Ų3858.2 Ų58.220%0.19931%0.313CS..Hα-helixtrans-68.8-38.9177.9-69.9169.9000111.9V184 A187 L188 S258 L265 L266V184-L262 HydrophobicContact CG1-CD2 4.27Å; A187-L262 HydrophobicContact CB-CD1 3.77Å; A187-L262 HydrophobicContact CB-CD2 4.38Å; L188-L262 HydrophobicContact CB-CB 4.26Å; L188-L262 HydrophobicContact CD1-CB 4.13Å; S258-L262 VanDerWaalsContact O-CB 3.28Å; S258-L262 WeakPolarHBondContact O-CB 3.39Å; S258-L262 VanDerWaalsContact O-CG 3.27Å; S258-L262 WeakPolarHBondContact O-CG 3.29Å; S258-L262 PolarHBondContact O-N 3.07Å; L262-L265 PolarHBondContact O-N 3.3Å; L262-L266 VanDerWaalsContact O-CB 3.3Å; L262-L266 WeakPolarHBondContact O-CB 3.17Å; L262-L266 PolarHBondContact O-N 2.68Å
263G98.4Very high98.1Very high17 Ų1760.3 Ų60.318%0.17532%0.323CS..Hα-helixtrans-62.9-47.1174.900000111.9T259 L265 L266 C267T259-G263 WeakPolarHBondContact O-CA 3.34Å; T259-G263 PolarHBondContact O-N 3.45Å; G263-L265 PolarHBondContact O-N 3.45Å; G263-L266 PolarHBondContact O-N 2.87Å; G263-C267 WeakPolarHBondContact O-CB 3.35Å; G263-C267 PolarHBondContact O-N 3.4Å; G263-C267 PolarHBondContact O-SG 3.04Å
264H98.5Very high98.1Very high143 Ų14364.1 Ų64.166%0.66233%0.329SS*.Hα-helixtrans-59.4-46.3174.6179.6-95.1000111.9A260 L266 C267 F268A260-H264 VanDerWaalsContact O-CB 3.27Å; A260-H264 WeakPolarHBondContact O-CB 3.5Å; A260-H264 PolarHBondContact O-N 3.19Å; H264-L266 PolarHBondContact O-N 2.72Å; H264-C267 PolarHBondContact O-N 2.8Å; H264-F268 WeakPolarHBondContact O-CB 3.44Å; H264-F268 PolarHBondContact O-N 2.84Å
265L98.1Very high98Very high55 Ų5566.4 Ų66.429%0.28834%0.339SS..Hα-helixtrans-60.1-45.6176.2-179.863.9000111.9F180 V184 L261 L262 G263 F268 H269F180-L265 HydrophobicContact CZ-CD2 4.34Å; V184-L265 HydrophobicContact CG1-CD2 4.22Å; V184-L265 HydrophobicContact CG1-CG 4.45Å; V184-L265 HydrophobicContact CG2-CD2 3.93Å; L261-L265 WeakPolarHBondContact O-CB 3.44Å; L261-L265 PolarHBondContact O-N 3.47Å; L262-L265 PolarHBondContact O-N 3.3Å; G263-L265 PolarHBondContact O-N 3.45Å; L265-F268 PolarHBondContact O-N 2.98Å; L265-H269 PolarHBondContact O-CD2 3.32Å; L265-H269 VanDerWaalsContact O-CD2 3.29Å; L265-H269 PolarHBondContact O-N 2.93Å
266L98.4Very high97.9Very high31 Ų3174.6 Ų74.616%0.16237%0.374CS..Hα-helixtrans-64.6-46.1179.6-174.761.3000111.6V184 A185 L188 L262 G263 H264 F268 H269 I270V184-L266 HydrophobicContact CG1-CB 4.04Å; V184-L266 HydrophobicContact CG1-CD1 4.38Å; A185-L266 HydrophobicContact CB-CD1 4.43Å; A185-L266 HydrophobicContact CB-CD2 4.3Å; L188-L266 HydrophobicContact CD2-CD2 3.66Å; L262-L266 VanDerWaalsContact O-CB 3.3Å; L262-L266 WeakPolarHBondContact O-CB 3.17Å; L262-L266 PolarHBondContact O-N 2.68Å; G263-L266 PolarHBondContact O-N 2.87Å; H264-L266 PolarHBondContact O-N 2.72Å; L266-F268 VanDerWaalsContact C-N 3.33Å; L266-F268 PolarHBondContact O-N 3.48Å; L266-H269 PolarHBondContact O-N 2.83Å; L266-I270 HydrophobicContact CD1-CD1 4.42Å; L266-I270 HydrophobicContact CG-CD1 3.99Å; L266-I270 VanDerWaalsContact O-CG1 3.29Å; L266-I270 WeakPolarHBondContact O-CG1 3.44Å; L266-I270 PolarHBondContact O-N 3.4Å
267C98.5Very high97.7Very high82 Ų8271.7 Ų71.755%0.55436%0.359SS*.Hα-helixtrans-59.7-42.2175.5-72.60000112G263 H264 I270 Y271G263-C267 WeakPolarHBondContact O-CB 3.35Å; G263-C267 PolarHBondContact O-N 3.4Å; G263-C267 PolarHBondContact O-SG 3.04Å; H264-C267 PolarHBondContact O-N 2.8Å; C267-I270 PolarHBondContact O-N 3.15Å; C267-Y271 PolarHBondContact O-N 2.91Å
268F98.3Very high97.6Very high54 Ų5468 Ų6824%0.23734%0.34CS..Hα-helixtrans-61.5-44.8175.3176.6-111000112H264 L265 L266 I270 Y271 L272 T279 Y282H264-F268 WeakPolarHBondContact O-CB 3.44Å; H264-F268 PolarHBondContact O-N 2.84Å; L265-F268 PolarHBondContact O-N 2.98Å; L266-F268 VanDerWaalsContact C-N 3.33Å; L266-F268 PolarHBondContact O-N 3.48Å; F268-I270 PolarHBondContact O-N 3.22Å; F268-Y271 WeakPolarHBondContact O-CB 3.23Å; F268-Y271 PolarHBondContact O-N 3.36Å; F268-L272 HydrophobicContact CD1-CD1 4.06Å; F268-L272 HydrophobicContact CE1-CD1 3.52Å; F268-L272 HydrophobicContact CE1-CG 4.23Å; F268-L272 HydrophobicContact CE2-CD1 4.45Å; F268-L272 HydrophobicContact CE2-CD2 4.35Å; F268-L272 HydrophobicContact CE2-CG 4.32Å; F268-L272 HydrophobicContact CZ-CD1 3.75Å; F268-L272 HydrophobicContact CZ-CD2 4.14Å; F268-L272 HydrophobicContact CZ-CG 4.07Å; F268-L272 WeakPolarHBondContact O-CG 3.46Å; F268-L272 PolarHBondContact O-N 2.88Å; F268-T279 HydrophobicContact CE1-CG2 4.03Å; F268-T279 HydrophobicContact CZ-CG2 4.44Å; F268-Y282 HydrophobicContact CE2-CD1 4.03Å; F268-Y282 AromaticContact CE2-CE1 3.84Å; F268-Y282 HydrophobicContact CE2-CE1 3.84Å; F268-Y282 AromaticContact CZ-CD1 3.85Å; F268-Y282 HydrophobicContact CZ-CD1 3.85Å; F268-Y282 HydrophobicContact CZ-CE1 4.07Å; F268-Y282 HydrophobicContact CZ-CG 4.47Å
269H98.2Very high97.6Very high4 Ų467.6 Ų67.62%0.01934%0.337CS..Hα-helixtrans-68.4-32.9175.4-81.3-75.8000113.6D162 F180 L181 L265 L266 Y271 L272 M273 T279D162-H269 IonicContact OD2-CE1 3.85Å; D162-H269 PolarHBondContact OD2-CE1 3.47Å; F180-H269 AromaticContact CE1-CD2 3.7Å; F180-H269 AromaticContact CE1-CE1 3.64Å; F180-H269 AromaticContact CE1-NE2 3.41Å; F180-H269 WeakPolarHBondContact CE1-NE2 3.14Å; F180-H269 AromaticContact CZ-CD2 3.97Å; F180-H269 AromaticContact CZ-NE2 3.54Å; L181-H269 HydrophobicContact CD2-CB 3.58Å; L265-H269 PolarHBondContact O-CD2 3.32Å; L265-H269 VanDerWaalsContact O-CD2 3.29Å; L265-H269 PolarHBondContact O-N 2.93Å; L266-H269 PolarHBondContact O-N 2.83Å; H269-Y271 VanDerWaalsContact C-N 3.35Å; H269-L272 PolarHBondContact O-N 3.31Å; H269-M273 WeakPolarHBondContact O-CG 3.41Å; H269-M273 PolarHBondContact O-N 2.79Å; H269-T279 PolarHBondContact CE1-OG1 3.47Å
270I98.1Very high97.4Very high86 Ų8668.4 Ų68.444%0.44134%0.338SS..Hα-helixtrans-62.4-43.7171.6-70.6165.1000110.6L266 C267 F268 M273 W274L266-I270 HydrophobicContact CD1-CD1 4.42Å; L266-I270 HydrophobicContact CG-CD1 3.99Å; L266-I270 VanDerWaalsContact O-CG1 3.29Å; L266-I270 WeakPolarHBondContact O-CG1 3.44Å; L266-I270 PolarHBondContact O-N 3.4Å; C267-I270 PolarHBondContact O-N 3.15Å; F268-I270 PolarHBondContact O-N 3.22Å; I270-M273 HydrophobicContact CB-CE 4.45Å; I270-M273 HydrophobicContact CG1-CE 3.97Å; I270-M273 PolarHBondContact O-N 3.29Å; I270-W274 PolarHBondContact O-N 3.06Å
271Y98.1Very high97.2Very high100 Ų10068.5 Ų68.539%0.39233%0.327SS..Hα-helixtrans-58.8-47.2173.2169.1-92.9000112C267 F268 H269 M273 W274 H275 Y282C267-Y271 PolarHBondContact O-N 2.91Å; F268-Y271 WeakPolarHBondContact O-CB 3.23Å; F268-Y271 PolarHBondContact O-N 3.36Å; H269-Y271 VanDerWaalsContact C-N 3.35Å; Y271-M273 PolarHBondContact O-N 2.95Å; Y271-W274 WeakPolarHBondContact O-CB 3.41Å; Y271-W274 PolarHBondContact O-N 3.5Å; Y271-H275 AromaticContact CD2-CD2 3.63Å; Y271-H275 AromaticContact CD2-NE2 3.88Å; Y271-H275 AromaticContact CE2-CD2 3.28Å; Y271-H275 WeakPolarHBondContact CE2-CD2 3.49Å; Y271-H275 AromaticContact CE2-NE2 3.27Å; Y271-H275 VanDerWaalsContact CE2-NE2 3.27Å; Y271-H275 WeakPolarHBondContact CE2-NE2 3.31Å; Y271-H275 AromaticContact CZ-CD2 3.57Å; Y271-H275 AromaticContact CZ-NE2 3.81Å; Y271-H275 PolarHBondContact O-CD2 3.48Å; Y271-H275 PolarHBondContact O-N 2.93Å; Y271-Y282 HydrophobicContact CE1-CD2 4.22Å; Y271-Y282 AromaticContact CE1-CE2 3.92Å; Y271-Y282 HydrophobicContact CE1-CE2 3.92Å
272L97.3Very high97.1Very high0 Ų066.1 Ų66.10%031%0.311CS..Hα-helixtrans-59.5-44.1176.1-69.6177.6000112.6F268 H269 W274 H275 K276 L277 T279 Y282F268-L272 HydrophobicContact CD1-CD1 4.06Å; F268-L272 HydrophobicContact CE1-CD1 3.52Å; F268-L272 HydrophobicContact CE1-CG 4.23Å; F268-L272 HydrophobicContact CE2-CD1 4.45Å; F268-L272 HydrophobicContact CE2-CD2 4.35Å; F268-L272 HydrophobicContact CE2-CG 4.32Å; F268-L272 HydrophobicContact CZ-CD1 3.75Å; F268-L272 HydrophobicContact CZ-CD2 4.14Å; F268-L272 HydrophobicContact CZ-CG 4.07Å; F268-L272 WeakPolarHBondContact O-CG 3.46Å; F268-L272 PolarHBondContact O-N 2.88Å; H269-L272 PolarHBondContact O-N 3.31Å; L272-W274 VanDerWaalsContact C-N 3.31Å; L272-W274 PolarHBondContact O-N 3.41Å; L272-H275 CarbonylContact O-C 3.49Å; L272-H275 PolarHBondContact O-N 2.93Å; L272-K276 PolarHBondContact O-N 3.2Å; L272-L277 HydrophobicContact CD2-CB 4.18Å; L272-L277 PolarHBondContact O-N 2.78Å; L272-L277 VanDerWaalsContact O-N 3.12Å; L272-T279 VanDerWaalsContact CD1-OG1 3.23Å; L272-T279 WeakPolarHBondContact CD1-OG1 3.2Å; L272-Y282 HydrophobicContact CD2-CD2 4.12Å; L272-Y282 HydrophobicContact CD2-CG 3.89Å
273M96.3Very high96.9Very high72 Ų7268.4 Ų68.436%0.35532%0.323SS..Hα-helixtrans-63.9-32.3176.2-74.4-169.6-66.600113.6Y177 L181 H269 I270 Y271 K276Y177-M273 HydrophobicContact CE1-CG 4.02Å; Y177-M273 HydrophobicContact CE1-SD 4.1Å; L181-M273 HydrophobicContact CD1-CE 3.71Å; L181-M273 HydrophobicContact CD1-SD 3.43Å; L181-M273 WeakPolarHBondContact CD1-SD 3.45Å; H269-M273 WeakPolarHBondContact O-CG 3.41Å; H269-M273 PolarHBondContact O-N 2.79Å; I270-M273 HydrophobicContact CB-CE 4.45Å; I270-M273 HydrophobicContact CG1-CE 3.97Å; I270-M273 PolarHBondContact O-N 3.29Å; Y271-M273 PolarHBondContact O-N 2.95Å; M273-K276 PolarHBondContact O-NZ 2.71Å
274W97.7Very high96.5Very high204 Ų20470.4 Ų70.477%0.77333%0.331SS*.Hα-helixtrans-65.8-49.3173.3-173-76.7000110.4I270 Y271 L272 K276I270-W274 PolarHBondContact O-N 3.06Å; Y271-W274 WeakPolarHBondContact O-CB 3.41Å; Y271-W274 PolarHBondContact O-N 3.5Å; L272-W274 VanDerWaalsContact C-N 3.31Å; L272-W274 PolarHBondContact O-N 3.41Å; W274-K276 VanDerWaalsContact C-N 3.28Å; W274-K276 PolarHBondContact O-N 3.44Å
275H96.6Very high96.3Very high95 Ų9569.3 Ų69.344%0.4433%0.326SS..Hα-helixtrans-78.6-2.8-179.1-75.8-83.3000115.2Y271 L272 L277Y271-H275 AromaticContact CD2-CD2 3.63Å; Y271-H275 AromaticContact CD2-NE2 3.88Å; Y271-H275 AromaticContact CE2-CD2 3.28Å; Y271-H275 WeakPolarHBondContact CE2-CD2 3.49Å; Y271-H275 AromaticContact CE2-NE2 3.27Å; Y271-H275 VanDerWaalsContact CE2-NE2 3.27Å; Y271-H275 WeakPolarHBondContact CE2-NE2 3.31Å; Y271-H275 AromaticContact CZ-CD2 3.57Å; Y271-H275 AromaticContact CZ-NE2 3.81Å; Y271-H275 PolarHBondContact O-CD2 3.48Å; Y271-H275 PolarHBondContact O-N 2.93Å; L272-H275 CarbonylContact O-C 3.49Å; L272-H275 PolarHBondContact O-N 2.93Å; H275-L277 HydrophobicContact CB-CD1 4.15Å; H275-L277 HydrophobicContact CB-CG 4.21Å; H275-L277 PolarHBondContact O-N 2.79Å
276K95.7Very high95.7Very high173 Ų17372 Ų7275%0.75234%0.337SS*.THydrogen-bonded Turntrans59.730.3-177.9-49.8-59.4169.8-151.80114L272 M273 W274L272-K276 PolarHBondContact O-N 3.2Å; M273-K276 PolarHBondContact O-NZ 2.71Å; W274-K276 VanDerWaalsContact C-N 3.28Å; W274-K276 PolarHBondContact O-N 3.44Å
277L95.3Very high95.2Very high35 Ų3574.9 Ų74.918%0.18335%0.346CS..  trans-104.3150.3177.5-62.6174.3000110.7L272 H275 E281 Y282L272-L277 HydrophobicContact CD2-CB 4.18Å; L272-L277 PolarHBondContact O-N 2.78Å; L272-L277 VanDerWaalsContact O-N 3.12Å; H275-L277 HydrophobicContact CB-CD1 4.15Å; H275-L277 HydrophobicContact CB-CG 4.21Å; H275-L277 PolarHBondContact O-N 2.79Å; L277-E281 HydrophobicContact CD2-CB 4.34Å; L277-Y282 HydrophobicContact CD1-CD2 4.47Å
278T96.1Very high94.1Very high16 Ų1675.4 Ų75.410%0.09835%0.348CS..  trans-84.9161.415979.70000111.2F161 D162 Y280 E281 Y282F161-T278 PolarHBondContact O-OG1 2.95Å; D162-T278 WeakPolarHBondContact OD1-CA 3.45Å; D162-T278 WeakPolarHBondContact OD1-CB 3.28Å; T278-Y280 PolarHBondContact O-N 3.19Å; T278-Y280 PolarHBondContact OG1-N 3.34Å; T278-E281 PolarHBondContact N-OE2 2.83Å; T278-E281 PolarHBondContact O-N 3.45Å; T278-E281 VanDerWaalsContact O-N 3.14Å; T278-E281 WeakPolarHBondContact OG1-CG 3.32Å; T278-E281 PolarHBondContact OG1-N 3.38Å; T278-Y282 PolarHBondContact O-N 3.42Å
279T96.4Very high92.3Very high13 Ų1378.2 Ų78.28%0.0837%0.372CS..Hα-helixtrans-55.4-41.3173.7-55.30000111.4D162 F268 H269 L272 I283D162-T279 VanDerWaalsContact CG-OG1 3.28Å; D162-T279 PolarHBondContact OD1-N 3.23Å; D162-T279 PolarHBondContact OD1-OG1 3.16Å; D162-T279 VanDerWaalsContact OD2-CB 3.28Å; D162-T279 WeakPolarHBondContact OD2-CB 3.43Å; D162-T279 PolarHBondContact OD2-OG1 3.1Å; F268-T279 HydrophobicContact CE1-CG2 4.03Å; F268-T279 HydrophobicContact CZ-CG2 4.44Å; H269-T279 PolarHBondContact CE1-OG1 3.47Å; L272-T279 VanDerWaalsContact CD1-OG1 3.23Å; L272-T279 WeakPolarHBondContact CD1-OG1 3.2Å; T279-I283 HydrophobicContact CG2-CD1 3.85Å; T279-I283 WeakPolarHBondContact O-CB 3.46Å; T279-I283 VanDerWaalsContact O-CG1 3.26Å; T279-I283 WeakPolarHBondContact O-CG1 3.43Å; T279-I283 PolarHBondContact O-N 3.38Å
280Y94.8Very high90Very high41 Ų4185.3 Ų85.316%0.16141%0.405CS..Hα-helixtrans-60-48.5174.6174.3-93.8000112.2K149 F161 D162 T278 I283 V284K149-Y280 HydrophobicContact CD-CD1 4.5Å; K149-Y280 HydrophobicContact CD-CE1 3.91Å; K149-Y280 HydrophobicContact CG-CD1 4.44Å; K149-Y280 HydrophobicContact CG-CE1 4.26Å; F161-Y280 HydrophobicContact CD1-CD2 4.1Å; F161-Y280 HydrophobicContact CD1-CG 4.04Å; F161-Y280 AromaticContact CE1-CD2 3.86Å; F161-Y280 HydrophobicContact CE1-CD2 3.86Å; F161-Y280 HydrophobicContact CE1-CG 4.2Å; D162-Y280 WeakPolarHBondContact O-CB 3.25Å; D162-Y280 PolarHBondContact O-N 3.44Å; T278-Y280 PolarHBondContact O-N 3.19Å; T278-Y280 PolarHBondContact OG1-N 3.34Å; Y280-I283 PolarHBondContact O-N 3.46Å; Y280-V284 HydrophobicContact CD1-CG2 4.35Å; Y280-V284 HydrophobicContact CD2-CG2 4.35Å; Y280-V284 HydrophobicContact CE1-CG2 3.98Å; Y280-V284 HydrophobicContact CE2-CG2 3.99Å; Y280-V284 WeakPolarHBondContact O-CB 3.32Å; Y280-V284 VanDerWaalsContact O-CG2 3.32Å; Y280-V284 WeakPolarHBondContact O-CG2 3.41Å; Y280-V284 PolarHBondContact O-N 2.99Å
281E94.2Very high87.9Confident66 Ų6687.8 Ų87.831%0.30842%0.415SS..Hα-helixtrans-63-44.9-179.9-70.2167165.300111.6L277 T278 I283 V284 Q285L277-E281 HydrophobicContact CD2-CB 4.34Å; T278-E281 PolarHBondContact N-OE2 2.83Å; T278-E281 PolarHBondContact O-N 3.45Å; T278-E281 VanDerWaalsContact O-N 3.14Å; T278-E281 WeakPolarHBondContact OG1-CG 3.32Å; T278-E281 PolarHBondContact OG1-N 3.38Å; E281-I283 PolarHBondContact O-N 3.33Å; E281-V284 PolarHBondContact O-N 2.89Å; E281-Q285 WeakPolarHBondContact O-CB 3.48Å; E281-Q285 VanDerWaalsContact O-CG 3.25Å; E281-Q285 WeakPolarHBondContact O-CG 3.24Å; E281-Q285 PolarHBondContact O-N 3.13Å
282Y95.6Very high85.6Confident63 Ų6386.2 Ų86.225%0.24742%0.422CS..Hα-helixtrans-56.3-50.3174.1175.9-94.4000111.6F268 Y271 L272 L277 T278 V284 Q285 H286F268-Y282 HydrophobicContact CE2-CD1 4.03Å; F268-Y282 AromaticContact CE2-CE1 3.84Å; F268-Y282 HydrophobicContact CE2-CE1 3.84Å; F268-Y282 AromaticContact CZ-CD1 3.85Å; F268-Y282 HydrophobicContact CZ-CD1 3.85Å; F268-Y282 HydrophobicContact CZ-CE1 4.07Å; F268-Y282 HydrophobicContact CZ-CG 4.47Å; Y271-Y282 HydrophobicContact CE1-CD2 4.22Å; Y271-Y282 AromaticContact CE1-CE2 3.92Å; Y271-Y282 HydrophobicContact CE1-CE2 3.92Å; L272-Y282 HydrophobicContact CD2-CD2 4.12Å; L272-Y282 HydrophobicContact CD2-CG 3.89Å; L277-Y282 HydrophobicContact CD1-CD2 4.47Å; T278-Y282 PolarHBondContact O-N 3.42Å; Y282-V284 PolarHBondContact O-N 3.47Å; Y282-Q285 PolarHBondContact O-N 2.95Å; Y282-H286 AromaticContact CD2-CE1 3.5Å; Y282-H286 VanDerWaalsContact CD2-CE1 3.5Å; Y282-H286 WeakPolarHBondContact CD2-CE1 3.29Å; Y282-H286 AromaticContact CD2-ND1 3.7Å; Y282-H286 AromaticContact CE2-CE1 3.28Å; Y282-H286 WeakPolarHBondContact CE2-CE1 3.37Å; Y282-H286 AromaticContact CE2-ND1 3.69Å; Y282-H286 AromaticContact CE2-NE2 3.79Å; Y282-H286 AromaticContact CZ-CE1 3.93Å; Y282-H286 PolarHBondContact O-N 3.37Å; Y282-H286 VanDerWaalsContact O-N 3.16Å; Y282-H286 PolarHBondContact O-ND1 2.92Å
283I93.9Very high83Confident87 Ų8794.1 Ų94.145%0.44646%0.457SS..Hα-helixtrans-62.3-42.9179.6-70.1168.1000111.4T279 Y280 E281 H286 R287T279-I283 HydrophobicContact CG2-CD1 3.85Å; T279-I283 WeakPolarHBondContact O-CB 3.46Å; T279-I283 VanDerWaalsContact O-CG1 3.26Å; T279-I283 WeakPolarHBondContact O-CG1 3.43Å; T279-I283 PolarHBondContact O-N 3.38Å; Y280-I283 PolarHBondContact O-N 3.46Å; E281-I283 PolarHBondContact O-N 3.33Å; I283-H286 PolarHBondContact O-N 2.9Å; I283-R287 PolarHBondContact O-N 3.15Å
284V91.4Very high80.5Confident58 Ų5892.4 Ų92.435%0.35246%0.458SS..Hα-helixtrans-66.3-41.3-179.51700000111.5Y280 E281 Y282 H286 R287Y280-V284 HydrophobicContact CD1-CG2 4.35Å; Y280-V284 HydrophobicContact CD2-CG2 4.35Å; Y280-V284 HydrophobicContact CE1-CG2 3.98Å; Y280-V284 HydrophobicContact CE2-CG2 3.99Å; Y280-V284 WeakPolarHBondContact O-CB 3.32Å; Y280-V284 VanDerWaalsContact O-CG2 3.32Å; Y280-V284 WeakPolarHBondContact O-CG2 3.41Å; Y280-V284 PolarHBondContact O-N 2.99Å; E281-V284 PolarHBondContact O-N 2.89Å; Y282-V284 PolarHBondContact O-N 3.47Å; V284-H286 VanDerWaalsContact C-N 3.29Å; V284-H286 PolarHBondContact O-N 2.96Å; V284-R287 PolarHBondContact O-N 3.46Å
285Q92.5Very high78.2Confident121 Ų12187.4 Ų87.457%0.56545%0.449SS*.Hα-helixtrans-64.7-31.4177.1-72.7170.4500113.2E281 Y282E281-Q285 WeakPolarHBondContact O-CB 3.48Å; E281-Q285 VanDerWaalsContact O-CG 3.25Å; E281-Q285 WeakPolarHBondContact O-CG 3.24Å; E281-Q285 PolarHBondContact O-N 3.13Å; Y282-Q285 PolarHBondContact O-N 2.95Å
286H87.1Confident75.7Confident110 Ų11088.2 Ų88.251%0.50945%0.453SS..THydrogen-bonded Turntrans-92.13.5-177.7-6978.3000114.1Y282 I283 V284Y282-H286 AromaticContact CD2-CE1 3.5Å; Y282-H286 VanDerWaalsContact CD2-CE1 3.5Å; Y282-H286 WeakPolarHBondContact CD2-CE1 3.29Å; Y282-H286 AromaticContact CD2-ND1 3.7Å; Y282-H286 AromaticContact CE2-CE1 3.28Å; Y282-H286 WeakPolarHBondContact CE2-CE1 3.37Å; Y282-H286 AromaticContact CE2-ND1 3.69Å; Y282-H286 AromaticContact CE2-NE2 3.79Å; Y282-H286 AromaticContact CZ-CE1 3.93Å; Y282-H286 PolarHBondContact O-N 3.37Å; Y282-H286 VanDerWaalsContact O-N 3.16Å; Y282-H286 PolarHBondContact O-ND1 2.92Å; I283-H286 PolarHBondContact O-N 2.9Å; V284-H286 VanDerWaalsContact C-N 3.29Å; V284-H286 PolarHBondContact O-N 2.96Å
287R87.6Confident73.2Confident92 Ų9289.6 Ų89.635%0.34745%0.454SS..SBendtrans-68.5123.8170.6-73-170.4-175.4-177.85.1109.7I283 V284I283-R287 PolarHBondContact O-N 3.15Å; V284-R287 PolarHBondContact O-N 3.46Å
288P74.9Confident70.8Confident93 Ų9394.7 Ų94.760%0.60448%0.477SS*.  trans-64.5142179.426.3-33.6000110.3Q290P288-Q290 PolarHBondContact O-N 3.44Å
289P61.3Low68.6Low113 Ų113100.8 Ų100.873%0.73451%0.508SS*.THydrogen-bonded Turntrans-63.610.5179.3-24.734.5000116.4A292P289-A292 WeakPolarHBondContact O-CB 3.41Å; P289-A292 PolarHBondContact O-N 2.93Å
290Q50Low66.2Low154 Ų154107 Ų10772%0.7254%0.536SS*.Hα-helixtrans-74.8-25.4-170.8-66-154.84.800114P288 A292 K293 G294P288-Q290 PolarHBondContact O-N 3.44Å; Q290-A292 PolarHBondContact O-N 2.97Å; Q290-K293 PolarHBondContact O-N 2.84Å; Q290-K293 VanDerWaalsContact O-N 3.13Å; Q290-G294 PolarHBondContact O-N 3.19Å; Q290-G294 VanDerWaalsContact O-N 3.09Å
291E54Low63.6Low138 Ų138108.8 Ų108.865%0.64555%0.554SS**Hα-helixtrans-61.1-32.7169.7-70.4-177.2154.200111.7K293 G294 V295E291-K293 VanDerWaalsContact C-N 3.33Å; E291-K293 PolarHBondContact O-N 2.99Å; E291-G294 PolarHBondContact O-N 3.13Å; E291-V295 WeakPolarHBondContact O-CG2 3.39Å; E291-V295 PolarHBondContact O-N 2.81Å
292A49.2Very low60.7Low67 Ų67110.7 Ų110.755%0.55457%0.574SS**Hα-helixtrans-72.5-23.6176.800000113.6P289 Q290 H296P289-A292 WeakPolarHBondContact O-CB 3.41Å; P289-A292 PolarHBondContact O-N 2.93Å; Q290-A292 PolarHBondContact O-N 2.97Å; A292-H296 PolarHBondContact O-N 3.48Å
293K42.5Very low58.1Low165 Ų165113.1 Ų113.172%0.71760%0.597SS**Hα-helixtrans-87.8-26.4175.3-79-170.6173.7-174.80113.5Q290 E291 R297Q290-K293 PolarHBondContact O-N 2.84Å; Q290-K293 VanDerWaalsContact O-N 3.13Å; E291-K293 VanDerWaalsContact C-N 3.33Å; E291-K293 PolarHBondContact O-N 2.99Å; K293-R297 PolarHBondContact O-N 3.44Å
294G43.2Very low55.5Low37 Ų37115 Ų11538%0.38162%0.616SS.*Hα-helixtrans-61.4-56.4169.600000110.7Q290 E291 H296 R297 E298Q290-G294 PolarHBondContact O-N 3.19Å; Q290-G294 VanDerWaalsContact O-N 3.09Å; E291-G294 PolarHBondContact O-N 3.13Å; G294-H296 VanDerWaalsContact C-N 3.31Å; G294-H296 PolarHBondContact O-N 3.26Å; G294-R297 PolarHBondContact O-N 3.41Å; G294-R297 VanDerWaalsContact O-N 3.12Å; G294-E298 PolarHBondContact O-N 3.33Å
295V50.2Low52.8Low98 Ų98121.8 Ų121.859%0.59464%0.64SS**Hα-helixtrans-59.2-38.1-179177.70000112.6E291 E298 L299E291-V295 WeakPolarHBondContact O-CG2 3.39Å; E291-V295 PolarHBondContact O-N 2.81Å; V295-E298 PolarHBondContact O-N 3.25Å; V295-L299 WeakPolarHBondContact O-CB 3.5Å; V295-L299 PolarHBondContact O-N 3.36Å
296H43.8Very low50Low113 Ų113125 Ų12552%0.52366%0.657SS.*Hα-helixtrans-68.7-38.6177.8-156.5-70.6000112.8A292 G294 L299 E300A292-H296 PolarHBondContact O-N 3.48Å; G294-H296 VanDerWaalsContact C-N 3.31Å; G294-H296 PolarHBondContact O-N 3.26Å; H296-L299 PolarHBondContact O-N 2.97Å; H296-E300 IonicContact CE1-OE1 2.77Å; H296-E300 PolarHBondContact CE1-OE1 2.88Å; H296-E300 IonicContact CE1-OE2 3.85Å; H296-E300 VanDerWaalsContact ND1-CD 3.33Å; H296-E300 IonicContact ND1-OE1 3.59Å; H296-E300 IonicContact ND1-OE2 2.83Å; H296-E300 PolarHBondContact ND1-OE2 2.93Å; H296-E300 VanDerWaalsContact ND1-OE2 3.14Å; H296-E300 WeakPolarHBondContact O-CG 3.16Å; H296-E300 PolarHBondContact O-N 2.89Å; H296-E300 VanDerWaalsContact O-N 3.15Å
297R44Very low47.2Very low202 Ų202131.3 Ų131.376%0.76268%0.677SS**Hα-helixtrans-68-36.5175.1-102.5-177163-174.7-7.8112.8K293 G294 E300 S301K293-R297 PolarHBondContact O-N 3.44Å; G294-R297 PolarHBondContact O-N 3.41Å; G294-R297 VanDerWaalsContact O-N 3.12Å; R297-E300 PolarHBondContact O-N 3.29Å; R297-S301 PolarHBondContact O-N 2.95Å
298E45.1Very low44.8Very low142 Ų142132.1 Ų132.166%0.66469%0.694SS**Hα-helixtrans-68.7-40.2178.5-153169.5147.300110.4G294 V295 E300 S301G294-E298 PolarHBondContact O-N 3.33Å; V295-E298 PolarHBondContact O-N 3.25Å; E298-E300 PolarHBondContact O-N 3.4Å; E298-S301 PolarHBondContact O-N 3.38Å; E298-S301 PolarHBondContact O-OG 3.48Å
299L48.7Very low43.3Very low143 Ų143135.6 Ų135.675%0.74971%0.705SS**Hα-helixtrans-67.3-29.8175.5-148.878.3000114V295 H296 S301V295-L299 WeakPolarHBondContact O-CB 3.5Å; V295-L299 PolarHBondContact O-N 3.36Å; H296-L299 PolarHBondContact O-N 2.97Å; L299-S301 VanDerWaalsContact C-N 3.29Å
300E45.8Very low42.1Very low143 Ų143139.2 Ų139.267%0.66871%0.713SS**THydrogen-bonded Turntrans-79.1-7.4175.6-75.2173.6138.800113.6H296 R297 E298H296-E300 IonicContact CE1-OE1 2.77Å; H296-E300 PolarHBondContact CE1-OE1 2.88Å; H296-E300 IonicContact CE1-OE2 3.85Å; H296-E300 VanDerWaalsContact ND1-CD 3.33Å; H296-E300 IonicContact ND1-OE1 3.59Å; H296-E300 IonicContact ND1-OE2 2.83Å; H296-E300 PolarHBondContact ND1-OE2 2.93Å; H296-E300 VanDerWaalsContact ND1-OE2 3.14Å; H296-E300 WeakPolarHBondContact O-CG 3.16Å; H296-E300 PolarHBondContact O-N 2.89Å; H296-E300 VanDerWaalsContact O-N 3.15Å; R297-E300 PolarHBondContact O-N 3.29Å; E298-E300 PolarHBondContact O-N 3.4Å
301S40.5Very low41.3Very low79 Ų79140.6 Ų140.655%0.55272%0.719SS**THydrogen-bonded Turntrans-101.67.7-172.670.20000115.8R297 E298 L299 P303R297-S301 PolarHBondContact O-N 2.95Å; E298-S301 PolarHBondContact O-N 3.38Å; E298-S301 PolarHBondContact O-OG 3.48Å; L299-S301 VanDerWaalsContact C-N 3.29Å; S301-P303 WeakPolarHBondContact O-CD 3.4Å
302C33.1Very low40.3Very low107 Ų107142.5 Ų142.572%0.72373%0.73SS**  trans-89110.5175.9-72.50000112.7
303P41.2Very low39.7Very low113 Ų113148.1 Ų148.173%0.73475%0.745SS**  trans-77.4155.7169.133.2-35.4000111.8S301S301-P303 WeakPolarHBondContact O-CD 3.4Å
304P38.8Very low39.2Very low128 Ų128148.8 Ų148.883%0.83175%0.748SS**  trans-79.7128.9-176.230.6-34.2000114.1
305K36.4Very low38.6Very low200 Ų200157.2 Ų157.287%0.8777%0.77SS**  trans38.2101156.3-73.3-176173.5179.90120.2
306M33.3Very low37.8Very low187 Ų187161.3 Ų161.392%0.92179%0.785SS**  trans40123.6130.8-89.2-178165.500121.8
307R28Very low37.4Very low244 Ų244167.2 Ų167.292%0.92180%0.802SS**  -165.2168.9128.7-110.9176.1-146.6-125.79.1109.9
308P36.2Very low37.1Very low108 Ų108162.6 Ų162.670%0.70180%0.797SS**  -117158-106.434.7-20.5000117.1
309I45.2Very low36.2Very low166 Ų166165.5 Ų165.585%0.85181%0.808SS**  trans3692.5150.1-47.7171.4000117.3
310Q34.3Very low35.2Very low189 Ų189164 Ų16488%0.88381%0.81SS**  -161.3146.8128.5-114171.5-14.400109.2
311E33.4Very low34.4Very low183 Ų183165.6 Ų165.686%0.85582%0.816SS**  trans104.277.3-176-63.4-165.5161.900116.8
312M33.1Very low33.8Very low179 Ų179168.8 Ų168.888%0.88283%0.832SS**  trans-124.630.6156.8-168.111481.600111.7
313E37.9Very low33.6Very low184 Ų184174.6 Ų174.686%0.8684%0.839SS**SBendtrans-114.2-13.7179.3-70.3-167.1124.900114.5
314F32Very low33.1Very low179 Ų179174.5 Ų174.579%0.78584%0.838SS**SBendtrans-87.1-10.6-172.4-160-106.8000115.7
315Y29.3Very low32.6Very low215 Ų215176.3 Ų176.384%0.84384%0.836SS**SBendtrans-121.20.7-172.4-134-95.7000116.8
316M33.3Very low32.2Very low184 Ų184171.9 Ų171.991%0.90683%0.827SS**SBendtrans-102.430.3174.5-89.6-133-70.300113.7
317R35.1Very low31.9Very low236 Ų236168.4 Ų168.489%0.89182%0.821SS**SBendtrans-127.712179.2-145.8176.1-176.91632.5115.9
318T38.2Very low31.9Very low105 Ų105160 Ų16064%0.64481%0.81SS**SBendtrans-133.4125.2-179.9-34.40000110.8
319F27.3Very low31.5Very low204 Ų204163.7 Ų163.790%0.89582%0.818SS**  trans80.749.3179.5-57.9-73000118.9
320S27.6Very low30.6Very low112 Ų112160.4 Ų160.478%0.78382%0.816SS**  trans-88.1120.6143.4-67.20000110.1
321H29.1Very low30.4Very low175 Ų175163 Ų16381%0.8182%0.817SS**  trans53.7115.6161.5-67.9-80000121.5
322V27.8Very low30.5Very low146 Ų146160 Ų16089%0.88581%0.814SS**  -134.8111.7128.6-177.80000110
323R28.4Very low30.2Very low230 Ų230156.1 Ų156.187%0.86881%0.81SS**  trans-118.1162.7145.3-119.3-159.6-169.21666.7106.5
324P29.5Very low29.6Very low110 Ų110152.3 Ų152.371%0.71481%0.81SS**  trans-74.9148.7-15229.6-37.2000115.3
325E28.3Very low29.5Very low167 Ų167151 Ų15178%0.7882%0.816SS**  trans-52.9155.8159.6-90.4-71130.600113.2
326P29.9Very low29.4Very low107 Ų107147.4 Ų147.470%0.69581%0.812SS**  -137.8140.2118.536.8-25.8000116.6
327S25.1Very low29.2Very low114 Ų114142.6 Ų142.680%0.79780%0.801SS**  trans66.1116.2146.560.40000120.2
328G28.7Very low28.9Very low66 Ų66139.6 Ų139.668%0.6880%0.795SS**  trans161.993.3156.100000116
329Q27.9Very low28.4Very low187 Ų187142.4 Ų142.487%0.87480%0.8SS**  trans43.1145.9155.4-95.987.6-13.800124.3
330A27.1Very low28.4Very low97 Ų97138 Ų13880%0.80279%0.794SS**  trans76.598.6144.100000121.1
331R29.3Very low28.4Very low242 Ų242138.6 Ų138.691%0.91380%0.796SS**  trans-62.9161.2143.3-89.6-178.6-179.3-172.60.9110.3
332P36.1Very low28.9Very low122 Ų122136.4 Ų136.479%0.79280%0.798SS**  -153.2172.350.842.5-21.3000121
333A26.6Very low28.9Very low97 Ų97134.3 Ų134.380%0.80280%0.795SS**  trans62.1114.4147.600000120.9
334A25.3Very low28.9Very low103 Ų103128.9 Ų128.985%0.85179%0.793SS**  trans-107.4145.8153.400000109.9
335V28.9Very low29.8Very low151 Ų151130 Ų13092%0.91580%0.8SS**  trans-104.4172176.3178.20000109.9
336N28.5Very low29.9Very low140 Ų140128.3 Ų128.375%0.74980%0.796SS**  trans-107.9179.2-146-170.112.9000114.9
337A27.9Very low30.8Very low83 Ų83129 Ų12969%0.68680%0.801SS**  trans82.5145.5165.600000117.8
338K28.5Very low31Very low173 Ų173128.9 Ų128.975%0.75280%0.796SS**  cis133.5151.3-9.6-93.3-166.2176.2-1720110.5
339H29.3Very low31.8Very low164 Ų164131.8 Ų131.876%0.75980%0.802SS**  trans85.3151.8170.2-53.594.8000116.6
340C26.1Very low31.7Very low113 Ų113126.6 Ų126.676%0.76480%0.799SS**  cis-164.1174.3-21.6-1110000111.7
341C29Very low31.7Very low124 Ų124132.8 Ų132.884%0.83880%0.802SS**  trans-101.8161.8175.2-58.10000113.8
342P37.8Very low31.6Very low129 Ų129132.1 Ų132.184%0.83880%0.799SS**  -145.3179.5122.331.2-12000112.9
343A28.1Very low31.3Very low101 Ų101133.8 Ų133.884%0.83580%0.801SS**  cis-164.4-170.7-24.300000109.7
344S28.5Very low31.2Very low117 Ų117135.9 Ų135.982%0.81881%0.809SS**  trans-105.2-174-173.6-45.60000114.9
345P49Very low31.4Very low134 Ų134136.2 Ų136.287%0.8781%0.811SS**  -147.2-176.980.437.3-15.9000118
346D31.2Very low31.3Very low130 Ų130132.2 Ų132.270%0.69580%0.801SS**  trans-104.9179.2-165-154.429.1000112.9
347P47.9Very low31.6Very low122 Ų122131.8 Ų131.879%0.79281%0.806SS**  -152.7175.873.839.3-17.3000118.7
348T30.3Very low32.1Very low112 Ų112133.7 Ų133.769%0.68781%0.811SS**  trans-112.2-177.4-179.260.30000113.6
349P43.9Very low32Very low126 Ų126131.9 Ų131.982%0.81881%0.814SS**  -157.7143.383.338.4-16.4000120.8
350G25.4Very low31.8Very low78 Ų78133 Ų13380%0.80482%0.82SS**  trans92.1156.8134.300000121.9
351R27.9Very low31.9Very low227 Ų227133.7 Ų133.786%0.85782%0.82SS**  cis-172.5129.9-22.7-170.1-171.5-168.8-153.23.9111.3
352R28.2Very low31.7Very low229 Ų229136.6 Ų136.686%0.86482%0.822SS**  158.8125129.9-92-174.3-113.7-147.1-1114.4
353D28.4Very low31.2Very low156 Ų156141.7 Ų141.783%0.83482%0.824SS**  trans-102.7162168.6-52.1-76.3000112.3
354C25.2Very low31.2Very low141 Ų141144 Ų14495%0.95382%0.822SS**  trans-140.7133152.6-76.80000109.4
355A30.1Very low31.5Very low110 Ų110147.3 Ų147.391%0.90982%0.822SS**  trans-121.3161-177.300000112.2
356G26.7Very low30.7Very low68 Ų68147.9 Ų147.970%0.70182%0.818SS**  trans-145.8152.8171.400000111
357P35Very low30.6Very low131 Ų131151.4 Ų151.485%0.85183%0.827SS**  trans-88.1170.2-158.835.3-37.6000115.4
358P37.6Very low29.8Very low122 Ų122151.6 Ų151.679%0.79283%0.828SS**  trans-96163.1-166.238-36.1000114.8
359V26.6Very low30.2Very low136 Ų136153.1 Ų153.182%0.82483%0.832SS**  trans-130.8124.6159.7177.70000108.4
360Q24.6Very low29.5Very low186 Ų186153.2 Ų153.287%0.86983%0.832SS**  trans-89.2146.5169.1-68.7-171.4-9.600110.1
361V27.9Very low29.7Very low128 Ų128160.3 Ų160.378%0.77684%0.835SS**  trans-132.3130.9158-179.60000108.1
362E24.8Very low29.9Very low186 Ų186160.8 Ų160.887%0.86984%0.837SS**  trans-84.6148.7-169.4-169.1168.817200111.9
363W28.5Very low29.9Very low236 Ų236154.8 Ų154.889%0.89483%0.829SS**  trans-113.8116.6176-7990.8000110.8
364D27.5Very low30.2Very low148 Ų148153.9 Ų153.979%0.79183%0.832SS**  trans-64138.2-177.2-174.18.7000112.6
365K34.5Very low30.5Very low187 Ų187153.4 Ų153.481%0.81382%0.82SS**  trans-109.370.5-174.9-67.3178.3-178168.50111.2
366N33.2Very low30.6Very low147 Ų147155.7 Ų155.779%0.78682%0.816SS**  trans-161.275.4169.2-104.3-28.4000115.6
367K28.1Very low30.9Very low204 Ų204160.2 Ų160.289%0.88782%0.823SS**  trans-146.7139148.2-68-161179.2-179.30111.4
368P31.1Very low30.9Very low125 Ų125160.8 Ų160.881%0.81282%0.818SS**  trans-84.7153.6-169.633-36.4000114.7
369L38.9Very low30.6Very low145 Ų145159 Ų15976%0.75981%0.813SS**  trans-76.4142.6167-74.880.6000111.4
370P29.7Very low30.8Very low128 Ų128160 Ų16083%0.83181%0.811SS**  trans-105.4115.8154.433-23.4000111.1
371W29.6Very low31.4Very low226 Ų226161.7 Ų161.786%0.85681%0.809SS**  trans-88.2158.4161.6-90.788.8000110.7
372R30.9Very low31.5Very low238 Ų238158.5 Ų158.590%0.89880%0.802SS**  trans92.1110.2169.4-54.3179.7179.9-119.6-2.2116.3
373S29.8Very low32Very low102 Ų102156 Ų15671%0.71380%0.803SS**  trans-149134.6155.1-78.40000108.9L375S373-L375 VanDerWaalsContact C-N 3.32Å; S373-L375 PolarHBondContact O-N 3.36Å
374P34.7Very low32.2Very low137 Ų137153.8 Ų153.889%0.8980%0.802SS**  trans-85.862.3-168.735.4-37000112.8
375L31.1Very low32.4Very low132 Ų132152.1 Ų152.169%0.69180%0.802SS**  trans-109.917.3-176.7-90.1164.3000114.8S373 L377S373-L375 VanDerWaalsContact C-N 3.32Å; S373-L375 PolarHBondContact O-N 3.36Å; L375-L377 VanDerWaalsContact C-N 3.3Å; L375-L377 PolarHBondContact O-N 3.3Å
376L32Very low32.3Very low158 Ų158148.6 Ų148.683%0.82780%0.798SS**THydrogen-bonded Turntrans-89.227.1-174.8-112.6162.8000115
377L32.4Very low32.2Very low162 Ų162147.3 Ų147.385%0.84880%0.798SS**THydrogen-bonded Turntrans-112.8-9.2172.7-91.4162.2000114.5L375L375-L377 VanDerWaalsContact C-N 3.3Å; L375-L377 PolarHBondContact O-N 3.3Å
378L34.9Very low32.1Very low144 Ų144143.9 Ų143.975%0.75480%0.798SS**SBendtrans-87.9-12.1174-96.279.4000114.2M380L378-M380 VanDerWaalsContact C-N 3.3Å; L378-M380 PolarHBondContact O-N 3Å
379A32.8Very low31.8Very low83 Ų83146.1 Ų146.169%0.68680%0.802SS**THydrogen-bonded Turntrans-83.312.4-167.900000115.9
380M30.4Very low31.2Very low159 Ų159145 Ų14578%0.78381%0.806SS**THydrogen-bonded Turntrans-97.6-11.3-173.9-82.6-76.1-67.700114.9L378L378-M380 VanDerWaalsContact C-N 3.3Å; L378-M380 PolarHBondContact O-N 3Å
381W37.3Very low31Very low220 Ų220149.2 Ų149.283%0.83381%0.805SS**SBendtrans-136.578.6-171.3-75.963.9000112.3
382G29.9Very low30.9Very low61 Ų61148 Ų14863%0.62981%0.806SS**  trans158.7128.4167.700000113.3
383P34.3Very low30.9Very low134 Ų134147.2 Ų147.287%0.8780%0.803SS**PPolyproline II helixtrans-72.3133.9174.829.7-32.9000110.8S385P383-S385 PolarHBondContact O-N 2.85Å
384Q33.3Very low30.8Very low190 Ų190146.1 Ų146.189%0.88881%0.807SS**PPolyproline II helixtrans-66.7124.2175.6-63171.510.200110.1P386Q384-P386 WeakPolarHBondContact O-CD 3.44Å
385S31.5Very low30.6Very low113 Ų113152.1 Ų152.179%0.7981%0.812SS**PPolyproline II helixtrans-72.5119.3167.250.60000109.9P383P383-S385 PolarHBondContact O-N 2.85Å
386P32.6Very low30.5Very low113 Ų113149.4 Ų149.473%0.73482%0.816SS**PPolyproline II helixtrans-73.5151.2176.530.6-34.1000111.3Q384Q384-P386 WeakPolarHBondContact O-CD 3.44Å
387P30.3Very low30.4Very low119 Ų119147 Ų14777%0.77382%0.819SS**PPolyproline II helixtrans-70.8151.5-174.828.8-35.5000113.2L389P387-L389 PolarHBondContact O-N 3Å
388C26Very low30Very low132 Ų132145 Ų14589%0.89282%0.817SS**  trans-66.5100.8-178.5-58.90000112.8C390C388-C390 PolarHBondContact O-N 3.42Å; C388-C390 VanDerWaalsContact O-N 3.1Å
389L26.3Very low29.8Very low172 Ų172145.6 Ų145.690%0.90182%0.82SS**  trans-76.591.9168.7-88.6163.8000111.3P387 R391P387-L389 PolarHBondContact O-N 3Å; L389-R391 PolarHBondContact O-N 3.37Å; L389-R391 VanDerWaalsContact O-N 3.08Å
390C25Very low29.6Very low123 Ų123150.8 Ų150.883%0.83183%0.826SS**  trans-74.294.3177-165.60000111.4C388 K392C388-C390 PolarHBondContact O-N 3.42Å; C388-C390 VanDerWaalsContact O-N 3.1Å; C390-K392 PolarHBondContact O-N 3.04Å
391R25.3Very low29.4Very low215 Ų215149.4 Ų149.481%0.81183%0.831SS**  trans-79.5101.4-179.4-168.8176.5-171.7175.54.9112L389L389-R391 PolarHBondContact O-N 3.37Å; L389-R391 VanDerWaalsContact O-N 3.08Å
392K28.9Very low28.9Very low202 Ų202142.3 Ų142.388%0.87883%0.826SS**  trans-55136.2165.5-77.1179.1176.1173.80110.7C390C390-K392 PolarHBondContact O-N 3.04Å
393R29.6Very low28.8Very low220 Ų220151.4 Ų151.483%0.8384%0.841SS**  trans-142.6130.1164.6-121.4-172.3-179.5-168.2-0.6110.6
394G28.4Very low28.5Very low79 Ų79153.5 Ų153.581%0.81484%0.844SS**  trans68.7120.6148.100000118.6
395R30.6Very low28.4Very low264 Ų264155.2 Ų155.2100%0.99684%0.843SS**  trans-79.7142.5166.1-53.2177.2-159.7-143.83.7109.3
396G29.1Very low28.3Very low75 Ų75155.7 Ų155.777%0.77384%0.843SS**  trans-155.6147.1172.300000109.2
397A28.7Very low28Very low106 Ų106162.2 Ų162.288%0.87685%0.853SS**  trans-64.5150.4-160.300000115.4
398C24.4Very low28.1Very low120 Ų120164.2 Ų164.281%0.81186%0.856SS**  trans-94.8119.7177.8-171.70000110.4
399I30.2Very low28.4Very low158 Ų158161.4 Ų161.481%0.8185%0.849SS**  trans-116.5116.9165.7-61.2-179.6000107.5
400K29Very low28.5Very low191 Ų191164.9 Ų164.983%0.8385%0.85SS**  trans-73.1126.3173.8-78.2178175174.30109.9
401C26.9Very low28.9Very low131 Ų131171.1 Ų171.189%0.88586%0.856SS**  trans-161.2133.3150.5-117.40000113.7
402G27.4Very low29.3Very low70 Ų70164.2 Ų164.272%0.72285%0.852SS**  trans67.8108.5147.500000120.7L404G402-L404 PolarHBondContact O-N 3.22Å
403R27.5Very low29.8Very low252 Ų252161.3 Ų161.395%0.95185%0.853SS**  trans-68.7117.1153.7-82.4-174.5175.8-172.9-0.5109.6R405R403-R405 PolarHBondContact O-N 3.26Å
404L28.2Very low29.9Very low178 Ų178154 Ų15493%0.93285%0.846SS**  trans-76.9111.3166.1-81.3160.1000110.4G402G402-L404 PolarHBondContact O-N 3.22Å
405R30.3Very low30.4Very low226 Ų226156.3 Ų156.385%0.85385%0.847SS**  trans-83.4147.8159.5-74.7-171.7-179.8-1612.5109.3R403 R407R403-R405 PolarHBondContact O-N 3.26Å; R405-R407 PolarHBondContact O-N 3Å
406P29.1Very low30.8Very low123 Ų123150 Ų15080%0.79984%0.841SS**  trans-64129.9163.5-17.131000110.5I408P406-I408 PolarHBondContact O-N 3.24Å
407R27Very low31Very low250 Ų250151.4 Ų151.494%0.94385%0.845SS**  trans-76.7115.7168.3-91.5179.3166.9170.5-4.5109.2R405R405-R407 PolarHBondContact O-N 3Å
408I32.8Very low31.1Very low162 Ų162151.3 Ų151.383%0.83184%0.844SS**PPolyproline II helixtrans-92.4120.4157.4-64.6174000106.9P406P406-I408 PolarHBondContact O-N 3.24Å
409G30.7Very low31.7Very low72 Ų72150.3 Ų150.374%0.74284%0.844SS**PPolyproline II helixtrans-76.6134.2176.700000111.7
410R30.3Very low32.1Very low246 Ų246148.9 Ų148.993%0.92885%0.845SS**PPolyproline II helixtrans-83.2141.7169.3-70.5180172.1-175-3.7110.4
411R32.1Very low32.3Very low253 Ų253144.3 Ų144.396%0.95584%0.843SS**  trans-117.1153.2146.6-82.4-169.1175.8-165.1-0.1108.8
412G34Very low32.6Very low71 Ų71149.8 Ų149.873%0.73285%0.845SS**  trans-79.1-171.7-170.800000115.6
413P38.8Very low32.8Very low140 Ų140158.1 Ų158.191%0.90986%0.855SS**  trans-88.6159.3-156.635-37.1000115.5
414G32.3Very low33Very low66 Ų66157.3 Ų157.368%0.6885%0.852SS**  trans-139.4163.6168.200000111.4
415P38.9Very low33.3Very low128 Ų128156.3 Ų156.383%0.83185%0.846SS**  trans-81.8173.2-158.133.3-37.4000115.9
416P39.9Very low33.5Very low133 Ų133151.3 Ų151.386%0.86484%0.843SS**  trans-91.8179.6-150.736.8-37.7000116.9
417A31.5Very low33.7Very low103 Ų103156.5 Ų156.585%0.85185%0.846SS**  trans-79.6160.7-16000000117.3
418A32.3Very low33.9Very low105 Ų105151.2 Ų151.287%0.86884%0.842SS**  trans-124.2140155.500000109.5
419A37.3Very low34.3Very low98 Ų98149 Ų14981%0.8184%0.838SS**  trans-113.9149.3-173.500000112.5
420P37.6Very low34.4Very low128 Ų128150.1 Ų150.183%0.83184%0.841SS**PPolyproline II helixtrans-92.2146.5166.429.5-21.3000112.5
421A32.7Very low34.5Very low95 Ų95145.9 Ų145.979%0.78584%0.835SS**PPolyproline II helixtrans-83149.4-160.900000116.2R423A421-R423 PolarHBondContact O-N 3.1Å
422R33.9Very low34.4Very low246 Ų246140 Ų14093%0.92883%0.831SS**PPolyproline II helixtrans-64.9122.8158.6-70.2-178.8172.8-154.5-0.9109.7
423R31.2Very low34.3Very low246 Ų246142.7 Ų142.793%0.92883%0.834SS**PPolyproline II helixtrans-81.7128.9164.8-75.3-169.1175.5-148.1-1.3110.4A421A421-R423 PolarHBondContact O-N 3.1Å
424R31.7Very low34Very low235 Ų235143.8 Ų143.889%0.88783%0.831SS**PPolyproline II helixtrans-83.5152.3173.4-70.7-175.2178.2-1600.8110.9
425I34.2Very low33.8Very low157 Ų157148.8 Ų148.881%0.80584%0.842SS**PPolyproline II helixtrans-75.4131.7170.6-62.1158.1000109.6
426P34.8Very low33.6Very low121 Ų121147 Ų14779%0.78684%0.837SS**PPolyproline II helixtrans-91.1135.8154.5-1.421.6000110.2
427R32.8Very low33.2Very low231 Ų231147.8 Ų147.887%0.87283%0.833SS**PPolyproline II helixtrans-96.2142.9164.2-69.8174.1168.4167.2-5.5108.6
428T32.6Very low33Very low139 Ų139150.1 Ų150.185%0.85383%0.831SS**  trans170.3164145.938.10000108.7
429P40.3Very low33.1Very low115 Ų115150 Ų15075%0.74783%0.83SS**  -113.5171.1-79.524.9-4.1000112.1
430A34.3Very low33Very low97 Ų97151.3 Ų151.380%0.80283%0.83SS**  trans-73136172.200000111.2
431L31.1Very low32.8Very low156 Ų156151.3 Ų151.382%0.81783%0.828SS**  trans-127.4119.8160.8-132.385.6000108.7
432C30.7Very low32.7Very low129 Ų129153.3 Ų153.387%0.87283%0.83SS**  trans-82.5130.5170.7-70.80000109.6
433T31.2Very low32.5Very low129 Ų129153.1 Ų153.179%0.79183%0.83SS**  trans-145.4124.4158.2-2.90000109.9
434L32.3Very low32.4Very low163 Ų163152.9 Ų152.985%0.85383%0.829SS**  trans-62.3143.5162.1-96.668.8000109.2
435L29Very low32.2Very low171 Ų171153.1 Ų153.190%0.89583%0.83SS**  trans-166.4132.7131.9-107.4150.8000111.1
436A34.7Very low31.9Very low89 Ų89157.8 Ų157.874%0.73684%0.837SS**  trans-88.3134.1176.300000110.6
437L30.1Very low31.7Very low150 Ų150156.8 Ų156.879%0.78583%0.833SS**  trans-138.3110.8160.7-69.7175.3000106.2
438L29.3Very low31.6Very low153 Ų153151.4 Ų151.480%0.80183%0.828SS**  59.911188.7-70.7176.2000112.6
439A33.4Very low31.4Very low102 Ų102156.2 Ų156.284%0.84383%0.831SS**  trans-67.5149.7168.200000110.8
440P34.9Very low30.9Very low126 Ų126157.4 Ų157.482%0.81884%0.836SS**  trans-131.1156.2133.723.5-5.9000113.6
441T34.4Very low30.6Very low128 Ų128163.1 Ų163.179%0.78584%0.837SS**  trans-70.1150.3177.9500000112.7
442T30.3Very low30.5Very low136 Ų136166 Ų16683%0.83484%0.839SS**  trans-173.3107.7131270000114
443R30.3Very low30.4Very low242 Ų242167.2 Ų167.291%0.91383%0.831SS**  37.7106.7125.1-157.6-176.5-148.2-170.27.5119
444R29Very low30.2Very low242 Ų242171.1 Ų171.191%0.91383%0.832SS**  trans-147.4124.5144.8-118.3178.6-168.8-142.32.6115.3
445R27.5Very low30Very low240 Ų240173 Ų17391%0.90683%0.828SS**  trans41.4124.6158.8-76.5-175.5165.4-161.9-4.9121.5
446R27.1Very low30.2Very low254 Ų254176.2 Ų176.296%0.95883%0.828SS**  trans-69.5147.2161-66.7175.1171.9171-3.9111.3
447S29.6Very low30Very low101 Ų101181.6 Ų181.671%0.70683%0.829SS**  trans-98.1155.4164.4620000111.2W449S447-W449 PolarHBondContact O-N 3.08Å
448P30.7Very low29.9Very low117 Ų117178.9 Ų178.976%0.7683%0.828SS**SBendtrans-9584.4-170.936.2-34000113
449W29.6Very low29.9Very low240 Ų240184.4 Ų184.491%0.90984%0.839SS**  trans-137.773.1166.8-76.6100.6000111.9S447S447-W449 PolarHBondContact O-N 3.08Å
450T29Very low29.6Very low140 Ų140184 Ų18486%0.85984%0.835SS**  trans-135.487.2170.6520000112.3
451R29.3Very low29.5Very low218 Ų218182.9 Ų182.982%0.82384%0.836SS**  trans-166.1111.7156.1-136.9-179.4-80-161.3-2.3104.2
452Y27.5Very low29.4Very low217 Ų217182.8 Ų182.885%0.85184%0.838SS**  cis-136.9159.932.2-81.5-104.8000112.6
453Q28.9Very low29.3Very low154 Ų154184.6 Ų184.672%0.7284%0.842SS**  trans-121.5162.7165.5-73.3-170.5-32.400111.2
454W28.5Very low29.5Very low211 Ų211184.9 Ų184.980%0.79984%0.843SS**  trans73.7124166.7-52.1101.7000116
455R27.6Very low29.9Very low203 Ų203178.4 Ų178.477%0.76683%0.832SS**  cis-148.614548.1-77.3176.1166.2-138.5-5.9114.3
456R32.5Very low30.8Very low237 Ų237172.3 Ų172.389%0.89482%0.824SS**  trans-80.3136.8151.3-67.8-177.3178.2-153.50.6109.2
457R30.3Very low31.1Very low202 Ų202169.7 Ų169.776%0.76282%0.822SS**  trans-161.1112.4153.5-99.1159.8-160.3-119.4-0.6105
458A28.4Very low31.1Very low93 Ų93168.6 Ų168.677%0.76983%0.827SS**  66.298.985.400000110.8A460A458-A460 PolarHBondContact O-N 3.03Å
459W29Very low31.1Very low270 Ų270167.3 Ų167.3100%1.02383%0.826SS**  trans-74.4115.9172.9-74.780.4000109.1
460A27.4Very low31.1Very low93 Ų93167.8 Ų167.877%0.76983%0.828SS**  trans-136.9124.4165.400000107.4A458A458-A460 PolarHBondContact O-N 3.03Å
461A33.1Very low31.3Very low102 Ų102165.2 Ų165.284%0.84382%0.82SS**PPolyproline II helixtrans-77.3138.6178.200000110.5
462P31.9Very low31.4Very low127 Ų127164.2 Ų164.283%0.82583%0.825SS**PPolyproline II helixtrans-92.8127.6168.130.9-24000111.3
463L28.1Very low31.6Very low174 Ų174159 Ų15991%0.91182%0.821SS**PPolyproline II helixtrans-72.3153.6165.4-73.9152.6000110.6
464W34.9Very low32.4Very low247 Ų247156.5 Ų156.594%0.93682%0.817SS**PPolyproline II helixtrans-96.9136176.6-148.7-81.8000110.5
465P36.8Very low32.5Very low107 Ų107157 Ų15770%0.69582%0.819SS**PPolyproline II helixtrans-88.5164.7175.234.4-32.9000113.1
466P46.2Very low32.6Very low112 Ų112158.9 Ų158.973%0.72783%0.826SS**  trans-111.4169.6-15141.1-35.4000115.8
467H33.3Very low32.6Very low199 Ų199152.2 Ų152.292%0.92182%0.816SS**  trans-156.6117.3153.7-104.1-76.2000113.3
468G30Very low32.5Very low78 Ų78148.6 Ų148.680%0.80482%0.82SS**  trans69.1147.415900000119
469A30.2Very low32.7Very low90 Ų90155.7 Ų155.774%0.74483%0.827SS**  cis-165.2155.8-10.100000110.5
470R30.4Very low32.8Very low250 Ų250154.3 Ų154.394%0.94382%0.822SS**  trans64.2152171.1-59-178.4-169.7-146.71.8116
471A32.4Very low33.3Very low85 Ų85156.5 Ų156.570%0.70283%0.825SS**  cis-161.3178.8-23.900000107.7
472E32.6Very low33.6Very low198 Ų198162.4 Ų162.493%0.92583%0.826SS**  trans76.2119.9169.1-53.6-168.1169.500118.4
473S30.6Very low34Very low108 Ų108162.1 Ų162.176%0.75582%0.824SS**  trans-104.7160.1162.6770000107.6
474P45.9Very low35.2Very low100 Ų100159.7 Ų159.765%0.64982%0.818SS**  -157145.973.837.2-16.4000118.4
475R30.1Very low35.6Very low222 Ų222157.9 Ų157.984%0.83882%0.818SS**  trans64.1143.4149.1-57.5167.7-163.4-136.52.2115.2
476W31.4Very low35.7Very low242 Ų242161.8 Ų161.892%0.91785%0.848SS**  -153.8177.556.4-90.983.5000113.7
477S31Very low35.1Very low98 Ų98164.3 Ų164.369%0.68585%0.854SS**  trans-76145-160.355.10000117.7
478C28.3Very low35.2Very low125 Ų125162.5 Ų162.585%0.84585%0.85SS**  trans-69.1143.4154.2-760000112.2
479R32.7Very low35.5Very low243 Ų243167.2 Ų167.292%0.91785%0.853SS**  trans-125.3122.6147.5-97.3-172-175.7-137.91.5109.6
480R31.9Very low35.8Very low241 Ų241171.7 Ų171.791%0.90986%0.859SS**  trans-84.1143.8162.1-61.7-179-163-169.45108.2
481V37.4Very low36.2Very low139 Ų139166.8 Ų166.884%0.84285%0.854SS**  trans-119.9131.3159.8178.10000106.8
482R38.8Very low36.4Very low226 Ų226172.3 Ų172.385%0.85386%0.864SS**  trans-84.9150.9172.1-73.1-177.8177.5179.4-0.7109.2
483P41.8Very low36.7Very low121 Ų121170.4 Ų170.479%0.78686%0.859SS**  trans-80.1155.917135.1-34.9000111.4
484P52.3Low37.2Very low122 Ų122175.2 Ų175.279%0.79287%0.867SS**  trans-108.1160.2152.335.4-26.2000112.2
485F44Very low36.5Very low210 Ų210181.5 Ų181.592%0.92189%0.886SS**  trans-58.1142.1177.3-72-110.1000114.5
486S37.7Very low37Very low189 Ų189177.8 Ų177.8100%1.32289%0.89SS**  -167.6012062.60000109.5

Retrieved 486 of 486 residues in 1494.5 ms (Link to these results)