A0A3Q0KF80_SCHMA Loading...

HTH La-type RNA-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KF80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 519 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M43Very low38.9Very low225 Ų225160.5 Ų160.5100%1.10883%0.833SS**  098.30-174.5-177.1-76.900107.3
2F35.1Very low39.1Very low211 Ų211166.4 Ų166.493%0.92584%0.837SS**  trans-99.3107.5-173-75.9-80.8000110.9R4F2-R4 PolarHBondContact O-N 2.96Å
3V39.2Very low39.2Very low133 Ų133162.2 Ų162.281%0.80682%0.818SS**  trans-77114.7175.1-178.40000108.6
4R39.2Very low40Very low233 Ų233159.9 Ų159.988%0.87982%0.82SS**PPolyproline II helixtrans-70137.4170.4-76.8-179.4171.4167.7-2.6109.5F2F2-R4 PolarHBondContact O-N 2.96Å
5P40.3Very low40Very low108 Ų108164.9 Ų164.970%0.70182%0.824SS**PPolyproline II helixtrans-65152.917328.8-34.4000110.8T7P5-T7 PolarHBondContact O-N 2.9Å
6P41.4Very low40Very low122 Ų122168.2 Ų168.279%0.79282%0.824SS**PPolyproline II helixtrans-68.6120.8-172.826.9-34.3000111.8V8P6-V8 PolarHBondContact O-N 2.94Å
7T40Very low40.1Very low135 Ų135172 Ų17283%0.82883%0.827SS**  trans-67.8103.2177.5-34.90000110.7P5 R9P5-T7 PolarHBondContact O-N 2.9Å; T7-R9 PolarHBondContact O-N 3.44Å
8V37.5Very low39.9Very low120 Ų120167.9 Ų167.973%0.72782%0.817SS**  trans-64.2105.4173.6-179.70000109.1P6 T10P6-V8 PolarHBondContact O-N 2.94Å; V8-T10 HydrophobicContact CG1-CG2 4.05Å; V8-T10 PolarHBondContact O-N 3.5Å
9R34.6Very low39.8Very low228 Ų228164.4 Ų164.486%0.8681%0.808SS**  trans-68.988.6173.8-85.7-179160175.3-5.1110.4T7 T11T7-R9 PolarHBondContact O-N 3.44Å; R9-T11 PolarHBondContact O-N 3.32Å
10T41.5Very low39.9Very low117 Ų117165.5 Ų165.572%0.71881%0.811SS**  trans-76.484.1172.960.70000111V8 R12V8-T10 HydrophobicContact CG1-CG2 4.05Å; V8-T10 PolarHBondContact O-N 3.5Å; T10-R12 PolarHBondContact O-N 3.35Å
11T36.4Very low39.9Very low134 Ų134163.2 Ų163.282%0.82280%0.801SS**  trans-75.860173.547.80000112.1R9R9-T11 PolarHBondContact O-N 3.32Å
12R40.6Very low39.7Very low231 Ų231157.9 Ų157.987%0.87278%0.777SS**  trans-111.8101.4171.4-85-171.3172178.3-0.6111.9T10T10-R12 PolarHBondContact O-N 3.35Å
13N41.4Very low39.6Very low112 Ų112153.6 Ų153.660%0.59976%0.764SS**  trans-59.6118.9173.5-173.8-25.2000110.4R15 R16N13-R15 PolarHBondContact O-N 2.81Å; N13-R15 PolarHBondContact OD1-N 2.86Å; N13-R16 PolarHBondContact O-N 3.15Å
14P49.4Very low39.5Very low129 Ų129155.3 Ų155.384%0.83876%0.76SS**THydrogen-bonded Turntrans-68.9-3.7-169.127-35.6000114.7
15R40.7Very low39.5Very low235 Ų235147.3 Ų147.389%0.88775%0.75SS**THydrogen-bonded Turntrans-94.1-3.5178.4-70.9-174.1174.4-179.8-0.4115.3N13N13-R15 PolarHBondContact O-N 2.81Å; N13-R15 PolarHBondContact OD1-N 2.86Å
16R40.1Very low39.6Very low218 Ų218147.8 Ų147.882%0.82374%0.743SS**  trans-97.1103.6169.6-75.6-170.5175.8-171.3-0.7110.1N13N13-R16 PolarHBondContact O-N 3.15Å
17R41.7Very low40Very low233 Ų233143.8 Ų143.888%0.87972%0.721SS**PPolyproline II helixtrans-51.4133.6159.5-75.6-176.9175179.3-2.2107.9
18P36.8Very low40.9Very low98 Ų98141.4 Ų141.464%0.63670%0.703SS**PPolyproline II helixtrans-60142.216928-33.3000108.1H20P18-H20 PolarHBondContact O-N 3.19Å
19P38.1Very low42.6Very low101 Ų101145.2 Ų145.266%0.65670%0.704SS**PPolyproline II helixtrans-61.6128.9171.727.2-32.5000108.1I21P19-I21 HydrophobicContact CB-CD1 4.2Å; P19-I21 HydrophobicContact CB-CG1 4.19Å; P19-I21 PolarHBondContact O-N 3.26Å
20H41.6Very low45Very low186 Ų186135.9 Ų135.986%0.86167%0.673SS**  trans-72.744.3171.1-89.1-84.6000111.5P18 L22P18-H20 PolarHBondContact O-N 3.19Å; H20-L22 PolarHBondContact O-N 3.24Å
21I40.4Very low47.2Very low118 Ų118131.4 Ų131.461%0.60565%0.645SS**  trans-89.393.1165.1-58.5170.4000104.6P19 N23 F24P19-I21 HydrophobicContact CB-CD1 4.2Å; P19-I21 HydrophobicContact CB-CG1 4.19Å; P19-I21 PolarHBondContact O-N 3.26Å; I21-N23 PolarHBondContact O-N 3.14Å; I21-F24 HydrophobicContact CG2-CE2 4.36Å
22L38.7Very low49.8Very low114 Ų114126.7 Ų126.760%0.59761%0.614SS**  trans-51.5125.3161.5-73166.3000106.9H20 F24H20-L22 PolarHBondContact O-N 3.24Å; L22-F24 PolarHBondContact O-N 3.38Å
23N31.5Very low52.3Low121 Ų121122.3 Ų122.365%0.64760%0.597SS**  trans-57.1117.9173.4-98.3-16.6000107.3I21 G25 E26I21-N23 PolarHBondContact O-N 3.14Å; N23-G25 PolarHBondContact O-N 3.04Å; N23-E26 PolarHBondContact O-N 3.14Å
24F37.1Very low54.7Low168 Ų168120.6 Ų120.674%0.73759%0.586SS**Hα-helixtrans-58.8-14.4-174.7-73.8-86.1000113.9I21 L22 N28I21-F24 HydrophobicContact CG2-CE2 4.36Å; L22-F24 PolarHBondContact O-N 3.38Å; F24-N28 PolarHBondContact O-ND2 3.24Å
25G40.3Very low56.8Low65 Ų65117 Ų11767%0.6756%0.562SS**Hα-helixtrans-69.8-32.4168.700000114.5N23N23-G25 PolarHBondContact O-N 3.04Å
26E41.5Very low59.4Low118 Ų118105.9 Ų105.955%0.55152%0.52SS*.Hα-helixtrans-76.8-38.9177.7-66.9-167.9141.900112.2N23 N28 R29N23-E26 PolarHBondContact O-N 3.14Å; E26-N28 PolarHBondContact O-N 3.32Å; E26-N28 VanDerWaalsContact O-N 3.15Å; E26-R29 WeakPolarHBondContact O-CB 3.48Å; E26-R29 PolarHBondContact O-N 2.88Å; E26-R29 VanDerWaalsContact O-N 3.08Å
27A49.8Very low61.8Low39 Ų39101.2 Ų101.232%0.32250%0.502SS..Hα-helixtrans-61.4-22178.100000113.4
28N60.5Low64.1Low85 Ų8591.4 Ų91.446%0.45547%0.469SS..THydrogen-bonded Turntrans-92.2-4.5178.4-81.4-60.4000114.3F24 E26 R53F24-N28 PolarHBondContact O-ND2 3.24Å; E26-N28 PolarHBondContact O-N 3.32Å; E26-N28 VanDerWaalsContact O-N 3.15Å; N28-R53 PolarHBondContact O-NH1 3.3Å
29R73.1Confident65.9Low200 Ų20098.2 Ų98.276%0.75548%0.482SS*.SBendtrans-78.2128.4177.6-170.3176-177.8174.81.8109.3E26 L31E26-R29 WeakPolarHBondContact O-CB 3.48Å; E26-R29 PolarHBondContact O-N 2.88Å; E26-R29 VanDerWaalsContact O-N 3.08Å; R29-L31 PolarHBondContact O-N 2.82Å
30P84.3Confident67.3Low31 Ų31102.9 Ų102.920%0.20149%0.487CS..  trans-63136.1175.925.3-32.9000111L32 R33 E51 V52 R53P30-L32 VanDerWaalsContact C-N 3.29Å; P30-R33 HydrophobicContact CB-CB 4.37Å; P30-R33 HydrophobicContact CG-CB 4.05Å; P30-E51 HydrophobicContact CB-CB 4.14Å; P30-E51 HydrophobicContact CB-CG 3.92Å; P30-E51 HydrophobicContact CG-CG 4.22Å; P30-V52 CarbonylContact C-O 3.59Å; P30-V52 VanDerWaalsContact CA-O 3.28Å; P30-V52 WeakPolarHBondContact CA-O 3.49Å; P30-V52 WeakPolarHBondContact CB-O 3.45Å; P30-R53 HydrophobicContact CB-CG 4.2Å
31L87.5Confident67.8Low24 Ų24100.2 Ų100.213%0.12649%0.489CS..SBendtrans-65.8-33175-65168.3000111.8R29 V52 E54 P73 R311R29-L31 PolarHBondContact O-N 2.82Å; L31-V52 HydrophobicContact CB-CB 4.44Å; L31-V52 HydrophobicContact CB-CG1 4.46Å; L31-V52 HydrophobicContact CD1-CG1 4.26Å; L31-V52 PolarHBondContact N-O 3.05Å; L31-E54 HydrophobicContact CD1-CG 3.79Å; L31-E54 HydrophobicContact CD2-CG 4.02Å; L31-E54 HydrophobicContact CG-CG 4.1Å; L31-P73 HydrophobicContact CD1-CB 4.41Å; L31-R311 WeakPolarHBondContact CD1-O 3.24Å; L31-R311 HydrophobicContact CD2-CB 4.31Å; L31-R311 HydrophobicContact CD2-CG 4.17Å
32L90.4Very high68.6Low34 Ų3498.8 Ų98.818%0.17848%0.483CS..EExtended strand (participates in β ladder)trans-142.4140.1172.3176.565.4000107.7P30 E51 V52 F274P30-L32 VanDerWaalsContact C-N 3.29Å; L32-E51 CarbonylContact O-C 3.59Å; L32-E51 WeakPolarHBondContact O-CA 3.15Å; L32-V52 HydrophobicContact CB-CB 4.02Å; L32-V52 HydrophobicContact CB-CG2 3.9Å; L32-V52 HydrophobicContact CD2-CG2 4.09Å; L32-V52 HydrophobicContact CG-CG2 4.49Å; L32-V52 PolarHBondContact N-O 3.13Å; L32-V52 PolarHBondContact O-N 3.31Å; L32-F274 HydrophobicContact CD2-CD2 4.11Å; L32-F274 HydrophobicContact CD2-CE2 3.53Å; L32-F274 HydrophobicContact CD2-CZ 4.32Å; L32-F274 HydrophobicContact CG-CE2 4.09Å
33R92.9Very high69.5Low139 Ų13999 Ų9953%0.52549%0.491SS..EExtended strand (participates in β ladder)trans-140.7129.2173.7-177.1172.8-162.1-1100.5109.8P30 L50 E51P30-R33 HydrophobicContact CB-CB 4.37Å; P30-R33 HydrophobicContact CG-CB 4.05Å; R33-L50 CarbonylContact C-O 3.57Å; R33-L50 WeakPolarHBondContact CA-O 3.14Å; R33-E51 HydrophobicContact CB-CG 4Å; R33-E51 WeakPolarHBondContact CD-OE1 3.15Å; R33-E51 HydrophobicContact CG-CG 3.67Å; R33-E51 IonicContact CZ-OE1 2.78Å; R33-E51 IonicContact NE-OE1 3.87Å; R33-E51 PolarHBondContact NE-OE1 3.13Å; R33-E51 IonicContact NH2-OE1 2.64Å
34Q93.5Very high71.1Confident76 Ų7697.3 Ų97.336%0.35549%0.485SS..EExtended strand (participates in β ladder)trans-134.3141.4175.5-172.3178.6-9.800108.8I36 L50 F274Q34-I36 HydrophobicContact CG-CG2 3.94Å; Q34-L50 HydrophobicContact CB-CB 4.4Å; Q34-L50 PolarHBondContact N-O 3.27Å; Q34-L50 PolarHBondContact O-N 3.47Å; Q34-F274 HydrophobicContact CB-CD2 4.36Å
35V93.6Very high73.1Confident55 Ų5598.5 Ų98.533%0.33348%0.484SS..EExtended strand (participates in β ladder)trans-110125168.8-178.60000107R37 Y48 V49V35-R37 HydrophobicContact CG1-CG 4.15Å; V35-Y48 WeakPolarHBondContact CA-O 3.28Å; V35-V49 HydrophobicContact CG2-CG2 4.49Å
36I93.6Very high75.5Confident1 Ų196.9 Ų96.91%0.00546%0.459CS..EExtended strand (participates in β ladder)trans-114.2139.4178.160163000109.2Q34 A47 Y48 L50 L267 Q270 L271Q34-I36 HydrophobicContact CG-CG2 3.94Å; I36-A47 CarbonylContact O-C 3.53Å; I36-A47 VanDerWaalsContact O-CA 3.22Å; I36-A47 WeakPolarHBondContact O-CA 3.32Å; I36-A47 WeakPolarHBondContact O-CB 3.34Å; I36-Y48 HydrophobicContact CD1-CD2 3.83Å; I36-Y48 HydrophobicContact CG1-CD2 4.24Å; I36-Y48 HydrophobicContact CG1-CG 4.49Å; I36-Y48 PolarHBondContact N-O 2.54Å; I36-Y48 PolarHBondContact O-N 2.76Å; I36-L50 HydrophobicContact CD1-CD1 3.76Å; I36-L50 HydrophobicContact CD1-CD2 4.21Å; I36-L50 HydrophobicContact CD1-CG 4.23Å; I36-L50 HydrophobicContact CG1-CD1 3.95Å; I36-L50 HydrophobicContact CG1-CD2 4.29Å; I36-L50 HydrophobicContact CG1-CG 4.04Å; I36-L50 HydrophobicContact CG2-CD1 3.95Å; I36-L267 HydrophobicContact CD1-CB 4.3Å; I36-Q270 HydrophobicContact CB-CB 4Å; I36-Q270 VanDerWaalsContact CB-OE1 3.27Å; I36-Q270 HydrophobicContact CD1-CB 3.84Å; I36-Q270 HydrophobicContact CG2-CB 3.84Å; I36-L271 HydrophobicContact CD1-CB 4.19Å
37R92.1Very high78Confident120 Ų12091.3 Ų91.345%0.45343%0.433SS..EExtended strand (participates in β ladder)trans-140.6143.8-171.9-59.2-169.2166.2165.5-6.3109.6V35 R39 A47 Y80 Q270V35-R37 HydrophobicContact CG1-CG 4.15Å; R37-R39 PolarHBondContact O-N 3.03Å; R37-A47 HydrophobicContact CB-CB 4.33Å; R37-A47 HydrophobicContact CG-CB 3.77Å; R37-Y80 VanDerWaalsContact NH2-CZ 3.29Å; R37-Y80 PolarHBondContact NH2-OH 2.78Å; R37-Q270 PolarHBondContact O-NE2 3.34Å
38S88.3Confident80.2Confident26 Ų2689.5 Ų89.518%0.18242%0.418CS..  trans-65.3132.2169.8-174.30000108.8E46S38-E46 PolarHBondContact N-O 3.21Å
39R76.5Confident81.8Confident242 Ų24286 Ų8691%0.91340%0.4SS*.  trans-90.4-7.6176.3-68-172.3179.1-169.6-0.9112.9R37R37-R39 PolarHBondContact O-N 3.03Å
40R66.5Low82.9Confident199 Ų19976.4 Ų76.475%0.75136%0.364SS*.SBendtrans-75.3144.8-179.4-66.8-173.5175.5-167.9-2.3109.4N42R40-N42 PolarHBondContact O-N 2.79Å
41S52.9Low83.4Confident130 Ų13076 Ų7691%0.90936%0.359SS*.  trans-71.334173.853.80000113.3
42N56.9Low83.6Confident88 Ų8874.8 Ų74.847%0.47135%0.353SS..  trans-73.8137.4178-142.617.3000108R40 V44R40-N42 PolarHBondContact O-N 2.79Å; N42-V44 PolarHBondContact O-N 2.77Å
43P57.2Low83.6Confident119 Ų11976.2 Ų76.277%0.77336%0.356SS*.SBendtrans-63-27.7178.624.4-34000112.3R45P43-R45 PolarHBondContact O-N 2.63Å
44V65.7Low83.2Confident85 Ų8571.3 Ų71.352%0.51534%0.339SS..SBendtrans-74.5104.5171.3-172.50000108.9N42 E46N42-V44 PolarHBondContact O-N 2.77Å; V44-E46 HydrophobicContact CG1-CG 4.07Å; V44-E46 PolarHBondContact O-N 3.03Å
45R78.8Confident82.5Confident193 Ų19368.2 Ų68.273%0.72833%0.327SS*.  trans-73.1110.4173.3-65.7-176.9174.1-176.5-2.9109.5P43 Y81P43-R45 PolarHBondContact O-N 2.63Å; R45-Y81 HydrophobicContact CB-CD2 4.36Å; R45-Y81 HydrophobicContact CB-CE1 4.33Å; R45-Y81 HydrophobicContact CB-CE2 3.6Å; R45-Y81 WeakPolarHBondContact O-CD2 3.45Å; R45-Y81 WeakPolarHBondContact O-CE2 3.44Å
46E89.8Confident81.6Confident30 Ų3068.1 Ų68.114%0.1433%0.328CS..  trans-106.1124.9178.8-57.6167.5131.600109.7S38 V44 H264 S266 L267S38-E46 PolarHBondContact N-O 3.21Å; V44-E46 HydrophobicContact CG1-CG 4.07Å; V44-E46 PolarHBondContact O-N 3.03Å; E46-H264 HydrophobicContact CB-CB 4.45Å; E46-H264 HydrophobicContact CG-CB 4.48Å; E46-H264 IonicContact OE1-CE1 2.72Å; E46-H264 IonicContact OE1-CG 2.76Å; E46-H264 IonicContact OE1-ND1 3.13Å; E46-H264 PolarHBondContact OE1-ND1 2.92Å; E46-S266 WeakPolarHBondContact OE2-CB 3.28Å; E46-S266 PolarHBondContact OE2-OG 3.47Å; E46-L267 HydrophobicContact CB-CD1 4.12Å; E46-L267 HydrophobicContact CB-CG 4.36Å
47A93.6Very high80.3Confident1 Ų171 Ų711%0.00835%0.345CS..EExtended strand (participates in β ladder)trans-156.2143.7178.200000112.9I36 R37 Y80 Y81I36-A47 CarbonylContact O-C 3.53Å; I36-A47 VanDerWaalsContact O-CA 3.22Å; I36-A47 WeakPolarHBondContact O-CA 3.32Å; I36-A47 WeakPolarHBondContact O-CB 3.34Å; R37-A47 HydrophobicContact CB-CB 4.33Å; R37-A47 HydrophobicContact CG-CB 3.77Å; A47-Y80 HydrophobicContact CB-CD1 4.33Å; A47-Y80 HydrophobicContact CB-CG 4.23Å; A47-Y80 WeakPolarHBondContact O-CB 3.44Å; A47-Y80 PolarHBondContact O-N 3.46Å; A47-Y81 HydrophobicContact CB-CD2 4.3Å; A47-Y81 HydrophobicContact CB-CE2 3.63Å
48Y95.8Very high78.7Confident1 Ų167 Ų670%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-119.3148.4171.2-56.4-44.5000112.1V35 I36 V77 R78 L261 E262 L263 H264 L267 L271V35-Y48 WeakPolarHBondContact CA-O 3.28Å; I36-Y48 HydrophobicContact CD1-CD2 3.83Å; I36-Y48 HydrophobicContact CG1-CD2 4.24Å; I36-Y48 HydrophobicContact CG1-CG 4.49Å; I36-Y48 PolarHBondContact N-O 2.54Å; I36-Y48 PolarHBondContact O-N 2.76Å; Y48-V77 HydrophobicContact CD2-CG1 4.28Å; Y48-V77 HydrophobicContact CG-CG1 4.18Å; Y48-R78 CarbonylContact C-O 3.58Å; Y48-R78 VanDerWaalsContact CA-O 3.26Å; Y48-R78 WeakPolarHBondContact CA-O 3.14Å; Y48-L261 HydrophobicContact CD1-CD1 4.19Å; Y48-L261 HydrophobicContact CE1-CD1 3.9Å; Y48-L261 HydrophobicContact CE1-CD2 4.1Å; Y48-L261 HydrophobicContact CE1-CG 4.15Å; Y48-E262 PolarHBondContact OH-O 3.15Å; Y48-L263 VanDerWaalsContact OH-CA 3.29Å; Y48-L263 WeakPolarHBondContact OH-CA 3.34Å; Y48-H264 AromaticContact CE1-CD2 3.89Å; Y48-H264 AromaticContact CZ-CD2 3.82Å; Y48-H264 PolarHBondContact OH-CD2 3.13Å; Y48-H264 PolarHBondContact OH-N 3.47Å; Y48-L267 HydrophobicContact CD1-CD1 4.07Å; Y48-L267 HydrophobicContact CD2-CB 4.04Å; Y48-L267 HydrophobicContact CD2-CD1 3.52Å; Y48-L267 HydrophobicContact CD2-CG 4.4Å; Y48-L267 HydrophobicContact CE1-CD1 4.05Å; Y48-L267 HydrophobicContact CE2-CB 3.73Å; Y48-L267 HydrophobicContact CE2-CD1 3.47Å; Y48-L267 VanDerWaalsContact CE2-CD1 3.47Å; Y48-L267 HydrophobicContact CE2-CG 4.25Å; Y48-L267 HydrophobicContact CG-CD1 3.81Å; Y48-L271 HydrophobicContact CE2-CD2 4.49Å
49V95.5Very high76.8Confident11 Ų1171.6 Ų71.67%0.06736%0.356CS..EExtended strand (participates in β ladder)trans-96.1120.8159-173.40000107.8V35 E51 R78 Y80V35-V49 HydrophobicContact CG2-CG2 4.49Å; V49-E51 HydrophobicContact CG1-CG 4.07Å; V49-E51 WeakPolarHBondContact CG1-OE1 3.17Å; V49-R78 HydrophobicContact CB-CB 4.48Å; V49-R78 PolarHBondContact N-O 3.39Å; V49-R78 PolarHBondContact O-N 2.64Å; V49-Y80 HydrophobicContact CG2-CD2 3.68Å
50L96Very high75.2Confident0 Ų064.4 Ų64.40%034%0.343CS..EExtended strand (participates in β ladder)trans-106.3123.6175.6-45-177.6000108R33 Q34 I36 V77 L271 F274R33-L50 CarbonylContact C-O 3.57Å; R33-L50 WeakPolarHBondContact CA-O 3.14Å; Q34-L50 HydrophobicContact CB-CB 4.4Å; Q34-L50 PolarHBondContact N-O 3.27Å; Q34-L50 PolarHBondContact O-N 3.47Å; I36-L50 HydrophobicContact CD1-CD1 3.76Å; I36-L50 HydrophobicContact CD1-CD2 4.21Å; I36-L50 HydrophobicContact CD1-CG 4.23Å; I36-L50 HydrophobicContact CG1-CD1 3.95Å; I36-L50 HydrophobicContact CG1-CD2 4.29Å; I36-L50 HydrophobicContact CG1-CG 4.04Å; I36-L50 HydrophobicContact CG2-CD1 3.95Å; L50-V77 HydrophobicContact CD2-CB 4.3Å; L50-V77 HydrophobicContact CD2-CG1 3.68Å; L50-V77 HydrophobicContact CD2-CG2 4.06Å; L50-L271 HydrophobicContact CD2-CD1 3.98Å; L50-F274 HydrophobicContact CB-CD1 4.06Å; L50-F274 HydrophobicContact CB-CD2 3.87Å; L50-F274 HydrophobicContact CB-CE1 3.87Å; L50-F274 HydrophobicContact CB-CE2 3.64Å; L50-F274 HydrophobicContact CB-CG 4.07Å; L50-F274 HydrophobicContact CB-CZ 3.65Å; L50-F274 HydrophobicContact CD1-CB 3.51Å; L50-F274 HydrophobicContact CD1-CD1 3.79Å; L50-F274 HydrophobicContact CD1-CD2 3.8Å; L50-F274 HydrophobicContact CD1-CE1 4.45Å; L50-F274 HydrophobicContact CD1-CE2 4.44Å; L50-F274 HydrophobicContact CD1-CG 3.42Å; L50-F274 VanDerWaalsContact CD1-CG 3.42Å; L50-F274 HydrophobicContact CG-CD1 4.44Å; L50-F274 HydrophobicContact CG-CG 4.36Å
51E94.1Very high73.8Confident21 Ų2161.5 Ų61.510%0.09834%0.343CS..EExtended strand (participates in β ladder)trans-133.6143.8-180-80.5173.9-162.900110.7P30 L32 R33 V49 R53 V75 T76P30-E51 HydrophobicContact CB-CB 4.14Å; P30-E51 HydrophobicContact CB-CG 3.92Å; P30-E51 HydrophobicContact CG-CG 4.22Å; L32-E51 CarbonylContact O-C 3.59Å; L32-E51 WeakPolarHBondContact O-CA 3.15Å; R33-E51 HydrophobicContact CB-CG 4Å; R33-E51 WeakPolarHBondContact CD-OE1 3.15Å; R33-E51 HydrophobicContact CG-CG 3.67Å; R33-E51 IonicContact CZ-OE1 2.78Å; R33-E51 IonicContact NE-OE1 3.87Å; R33-E51 PolarHBondContact NE-OE1 3.13Å; R33-E51 IonicContact NH2-OE1 2.64Å; V49-E51 HydrophobicContact CG1-CG 4.07Å; V49-E51 WeakPolarHBondContact CG1-OE1 3.17Å; E51-R53 IonicContact OE2-CZ 2.93Å; E51-R53 IonicContact OE2-NE 2.6Å; E51-R53 PolarHBondContact OE2-NE 3Å; E51-R53 IonicContact OE2-NH2 2.71Å; E51-R53 PolarHBondContact OE2-NH2 2.78Å; E51-V75 WeakPolarHBondContact O-CA 3.44Å; E51-T76 WeakPolarHBondContact CB-OG1 3.26Å; E51-T76 PolarHBondContact N-O 3.45Å; E51-T76 PolarHBondContact O-N 2.85Å; E51-T76 PolarHBondContact O-OG1 3.2Å
52V92.9Very high73.1Confident0 Ų060.3 Ų60.30%034%0.341CS..EExtended strand (participates in β ladder)trans-109.5131163.7-173.50000107.6P30 L31 L32 P73 W74 V75 F274 V278 Y282P30-V52 CarbonylContact C-O 3.59Å; P30-V52 VanDerWaalsContact CA-O 3.28Å; P30-V52 WeakPolarHBondContact CA-O 3.49Å; P30-V52 WeakPolarHBondContact CB-O 3.45Å; L31-V52 HydrophobicContact CB-CB 4.44Å; L31-V52 HydrophobicContact CB-CG1 4.46Å; L31-V52 HydrophobicContact CD1-CG1 4.26Å; L31-V52 PolarHBondContact N-O 3.05Å; L32-V52 HydrophobicContact CB-CB 4.02Å; L32-V52 HydrophobicContact CB-CG2 3.9Å; L32-V52 HydrophobicContact CD2-CG2 4.09Å; L32-V52 HydrophobicContact CG-CG2 4.49Å; L32-V52 PolarHBondContact N-O 3.13Å; L32-V52 PolarHBondContact O-N 3.31Å; V52-P73 HydrophobicContact CG1-CB 3.88Å; V52-W74 CarbonylContact C-O 3.58Å; V52-W74 VanDerWaalsContact CA-O 3.31Å; V52-W74 WeakPolarHBondContact CA-O 3.34Å; V52-V75 HydrophobicContact CG2-CG2 4.34Å; V52-F274 HydrophobicContact CG2-CE2 4.47Å; V52-F274 HydrophobicContact CG2-CZ 3.86Å; V52-V278 HydrophobicContact CG2-CG2 3.72Å; V52-Y282 HydrophobicContact CG1-CE2 3.92Å
53R89.4Confident72.1Confident63 Ų6363.7 Ų63.724%0.23836%0.359CS..EExtended strand (participates in β ladder)trans-127.9153.1-177.8-70.6169.7168.5-88.1-6.8110.3N28 P30 E51 G55 P73 W74N28-R53 PolarHBondContact O-NH1 3.3Å; P30-R53 HydrophobicContact CB-CG 4.2Å; E51-R53 IonicContact OE2-CZ 2.93Å; E51-R53 IonicContact OE2-NE 2.6Å; E51-R53 PolarHBondContact OE2-NE 3Å; E51-R53 IonicContact OE2-NH2 2.71Å; E51-R53 PolarHBondContact OE2-NH2 2.78Å; R53-G55 PolarHBondContact O-N 2.6Å; R53-P73 VanDerWaalsContact O-CA 3.32Å; R53-P73 WeakPolarHBondContact O-CA 3.37Å; R53-W74 PolarHBondContact N-O 3.07Å; R53-W74 PolarHBondContact O-N 3.3Å
54E84.9Confident71.2Confident37 Ų3760.5 Ų60.517%0.17334%0.343CS..EExtended strand (participates in β ladder)trans-65.8121.4165-68.7-179.5-16800107.8L31 P71 W255 R311L31-E54 HydrophobicContact CD1-CG 3.79Å; L31-E54 HydrophobicContact CD2-CG 4.02Å; L31-E54 HydrophobicContact CG-CG 4.1Å; E54-P71 HydrophobicContact CB-CB 4.16Å; E54-W255 WeakPolarHBondContact O-CH2 3.46Å; E54-R311 WeakPolarHBondContact OE1-CD 3.32Å; E54-R311 IonicContact OE1-NH1 3.42Å; E54-R311 PolarHBondContact OE1-NH1 3.03Å
55G79.4Confident70Confident11 Ų1161.4 Ų61.411%0.11336%0.359CS..  trans-92-166.517800000112.8R53 P71 Q72R53-G55 PolarHBondContact O-N 2.6Å; G55-P71 WeakPolarHBondContact O-CB 3.41Å; G55-Q72 VanDerWaalsContact CA-O 3.23Å; G55-Q72 WeakPolarHBondContact CA-O 3.35Å; G55-Q72 PolarHBondContact N-O 2.92Å
56P73.5Confident68.2Low52 Ų5258.9 Ų58.934%0.33837%0.366SS..  trans-65.2148.7174.229.1-33.8000110.8V58P56-V58 PolarHBondContact O-N 2.7Å; P56-V58 VanDerWaalsContact O-N 3.12Å
57V66.3Low65.8Low62 Ų6260.4 Ų60.438%0.37638%0.383SS..  trans-68.2109.6165.71750000107.7M69 P71V57-M69 HydrophobicContact CG1-CB 3.74Å; V57-M69 HydrophobicContact CG1-CE 4.43Å; V57-M69 HydrophobicContact CG1-CG 3.87Å; V57-M69 HydrophobicContact CG1-SD 3.87Å; V57-P71 HydrophobicContact CG2-CB 4.41Å; V57-P71 HydrophobicContact CG2-CG 4.21Å
58V59Low63.5Low37 Ų3764.7 Ų64.722%0.22441%0.413CS..  trans-82.4115.7173.7-179.50000107.8P56 S60 Q72 A180 T181P56-V58 PolarHBondContact O-N 2.7Å; P56-V58 VanDerWaalsContact O-N 3.12Å; V58-S60 PolarHBondContact O-N 2.74Å; V58-Q72 HydrophobicContact CB-CG 4.45Å; V58-Q72 HydrophobicContact CG2-CB 4.47Å; V58-Q72 HydrophobicContact CG2-CG 4.27Å; V58-A180 WeakPolarHBondContact CG1-O 3.38Å; V58-T181 HydrophobicContact CG2-CG2 4.28Å
59N48.8Very low61.4Low121 Ų12170.8 Ų70.865%0.64744%0.443SS*.  trans-73.276.9176.6-73.7-8.4000110.8N61 M69N59-N61 VanDerWaalsContact C-N 3.34Å; N59-N61 PolarHBondContact O-N 2.75Å; N59-M69 WeakPolarHBondContact OD1-CE 3.17Å
60S41.3Very low59.6Low91 Ų9174.6 Ų74.664%0.63646%0.462SS*.  trans-70.591.2168.660.50000110V58V58-S60 PolarHBondContact O-N 2.74Å
61N37.2Very low58.3Low138 Ų13876.4 Ų76.474%0.73847%0.474SS*.  trans69.1123.5176.2-58.3-22.5000116.4N59 N63N59-N61 VanDerWaalsContact C-N 3.34Å; N59-N61 PolarHBondContact O-N 2.75Å; N61-N63 PolarHBondContact O-N 3.13Å
62A39.4Very low57.5Low106 Ų10678.3 Ų78.388%0.87648%0.483SS*.THydrogen-bonded Turntrans-687.6-176.500000116
63N36.2Very low57.3Low158 Ų15879.4 Ų79.485%0.84549%0.49SS*.THydrogen-bonded Turntrans-103.5-4.5-173.1-69.2-8.1000114.1N61 A65N61-N63 PolarHBondContact O-N 3.13Å; N63-A65 PolarHBondContact O-N 2.77Å
64A37.6Very low57.4Low52 Ų5276.8 Ų76.843%0.4348%0.48SS..  trans-100.265.7-17800000112.4T66 A67A64-T66 PolarHBondContact O-N 2.78Å; A64-A67 HydrophobicContact CB-CB 3.74Å; A64-A67 PolarHBondContact O-N 2.84Å
65A40.1Very low57.9Low105 Ų10575 Ų7587%0.86847%0.472SS*.THydrogen-bonded Turntrans-63.2-117900000115.3N63N63-A65 PolarHBondContact O-N 2.77Å
66T40.5Very low58.5Low140 Ų14075 Ų7586%0.85947%0.47SS*.THydrogen-bonded Turntrans-133.9-4.2-178.3460000114.2A64 S68A64-T66 PolarHBondContact O-N 2.78Å; T66-S68 PolarHBondContact O-N 3.39Å
67A41.2Very low59.6Low62 Ų6272.7 Ų72.751%0.51245%0.454SS..SBendtrans-72.9123.6167.700000107.8A64 M69A64-A67 HydrophobicContact CB-CB 3.74Å; A64-A67 PolarHBondContact O-N 2.84Å; A67-M69 PolarHBondContact O-N 2.78Å
68S45.4Very low60.9Low91 Ų9175.6 Ų75.664%0.63646%0.459SS*.  trans-56.3118.7176.252.10000109.1T66 I70T66-S68 PolarHBondContact O-N 3.39Å; S68-I70 PolarHBondContact O-N 2.98Å
69M51.7Low62.5Low128 Ų12874.2 Ų74.263%0.63145%0.45SS*.  trans-6775.5174.1-80.4-176.3159.200110.1V57 N59 A67 P71V57-M69 HydrophobicContact CG1-CB 3.74Å; V57-M69 HydrophobicContact CG1-CE 4.43Å; V57-M69 HydrophobicContact CG1-CG 3.87Å; V57-M69 HydrophobicContact CG1-SD 3.87Å; N59-M69 WeakPolarHBondContact OD1-CE 3.17Å; A67-M69 PolarHBondContact O-N 2.78Å; M69-P71 WeakPolarHBondContact O-CD 3.42Å
70I57.2Low64.6Low91 Ų9173.5 Ų73.547%0.46744%0.439SS..PPolyproline II helixtrans-72.4119.9175.5-64.8167.6000106.6S68 Q72S68-I70 PolarHBondContact O-N 2.98Å; I70-Q72 PolarHBondContact O-N 2.95Å
71P68.8Low66.8Low38 Ų3874.2 Ų74.225%0.24743%0.428CS..PPolyproline II helixtrans-56.4129.9174.9-2131.9000109.4E54 G55 V57 M69E54-P71 HydrophobicContact CB-CB 4.16Å; G55-P71 WeakPolarHBondContact O-CB 3.41Å; V57-P71 HydrophobicContact CG2-CB 4.41Å; V57-P71 HydrophobicContact CG2-CG 4.21Å; M69-P71 WeakPolarHBondContact O-CD 3.42Å
72Q77.6Confident69.1Low62 Ų6271.6 Ų71.629%0.2941%0.411SS..PPolyproline II helixtrans-68.7131.6177-73.2-165.7-1.100108.8G55 V58 I70G55-Q72 VanDerWaalsContact CA-O 3.23Å; G55-Q72 WeakPolarHBondContact CA-O 3.35Å; G55-Q72 PolarHBondContact N-O 2.92Å; V58-Q72 HydrophobicContact CB-CG 4.45Å; V58-Q72 HydrophobicContact CG2-CB 4.47Å; V58-Q72 HydrophobicContact CG2-CG 4.27Å; I70-Q72 PolarHBondContact O-N 2.95Å
73P87.9Confident70.8Confident22 Ų2267.5 Ų67.514%0.14338%0.379CS..EExtended strand (participates in β ladder)trans-71.1144.417728.1-33.3000110.8L31 V52 R53 V91 Y282L31-P73 HydrophobicContact CD1-CB 4.41Å; V52-P73 HydrophobicContact CG1-CB 3.88Å; R53-P73 VanDerWaalsContact O-CA 3.32Å; R53-P73 WeakPolarHBondContact O-CA 3.37Å; P73-V91 HydrophobicContact CB-CG2 3.96Å; P73-V91 HydrophobicContact CG-CB 4.09Å; P73-V91 HydrophobicContact CG-CG2 3.85Å; P73-V91 WeakPolarHBondContact O-CB 3.26Å; P73-V91 VanDerWaalsContact O-CG2 3.24Å; P73-V91 WeakPolarHBondContact O-CG2 3.44Å; P73-V91 PolarHBondContact O-N 2.82Å; P73-Y282 HydrophobicContact CB-CD1 4.49Å; P73-Y282 HydrophobicContact CB-CE1 4.08Å; P73-Y282 HydrophobicContact CB-CE2 4.25Å; P73-Y282 HydrophobicContact CG-CD1 3.64Å; P73-Y282 HydrophobicContact CG-CD2 4.19Å; P73-Y282 HydrophobicContact CG-CE1 3.68Å; P73-Y282 HydrophobicContact CG-CE2 4.23Å; P73-Y282 HydrophobicContact CG-CG 3.9Å
74W92Very high73.1Confident8 Ų866.6 Ų66.63%0.0337%0.374CS..EExtended strand (participates in β ladder)trans-120.3142.9174.8-78.662.2000110.4V52 R53 P90 C183 W255V52-W74 CarbonylContact C-O 3.58Å; V52-W74 VanDerWaalsContact CA-O 3.31Å; V52-W74 WeakPolarHBondContact CA-O 3.34Å; R53-W74 PolarHBondContact N-O 3.07Å; R53-W74 PolarHBondContact O-N 3.3Å; W74-P90 HydrophobicContact CD2-CB 4.17Å; W74-P90 HydrophobicContact CE3-CB 4.41Å; W74-P90 HydrophobicContact CH2-CB 4.39Å; W74-P90 HydrophobicContact CZ2-CB 4.12Å; W74-P90 HydrophobicContact CZ3-CB 4.5Å; W74-C183 HydrophobicContact CH2-CB 3.85Å; W74-C183 HydrophobicContact CZ3-CB 4.35Å; W74-W255 HydrophobicContact CB-CE3 4.2Å; W74-W255 HydrophobicContact CD2-CB 3.94Å; W74-W255 HydrophobicContact CD2-CD2 4.44Å; W74-W255 HydrophobicContact CD2-CE3 4.38Å; W74-W255 HydrophobicContact CD2-CG 4.29Å; W74-W255 HydrophobicContact CE3-CB 3.41Å; W74-W255 VanDerWaalsContact CE3-CB 3.41Å; W74-W255 HydrophobicContact CE3-CG 4.24Å; W74-W255 HydrophobicContact CG-CE3 4.21Å; W74-W255 HydrophobicContact CH2-CB 3.61Å; W74-W255 HydrophobicContact CH2-CG 4.37Å; W74-W255 HydrophobicContact CZ2-CB 4.12Å; W74-W255 HydrophobicContact CZ2-CG 4.44Å; W74-W255 HydrophobicContact CZ3-CB 3.24Å; W74-W255 HydrophobicContact CZ3-CG 4.3Å
75V94Very high75.6Confident0 Ų065.2 Ų65.20%036%0.359CS..EExtended strand (participates in β ladder)trans-93134.3170.6170.20000108.9E51 V52 V77 S88 L89 V91 F274 V278E51-V75 WeakPolarHBondContact O-CA 3.44Å; V52-V75 HydrophobicContact CG2-CG2 4.34Å; V75-V77 HydrophobicContact CG1-CG2 3.95Å; V75-S88 CarbonylContact O-C 3.52Å; V75-S88 WeakPolarHBondContact O-CA 3.45Å; V75-L89 HydrophobicContact CB-CG 4.21Å; V75-L89 HydrophobicContact CG1-CG 4.48Å; V75-L89 PolarHBondContact N-O 2.99Å; V75-L89 PolarHBondContact O-N 2.61Å; V75-V91 HydrophobicContact CG2-CG2 4.05Å; V75-F274 HydrophobicContact CG1-CE1 3.87Å; V75-F274 HydrophobicContact CG2-CE1 4.4Å; V75-V278 HydrophobicContact CG2-CB 4.45Å; V75-V278 HydrophobicContact CG2-CG1 3.69Å; V75-V278 HydrophobicContact CG2-CG2 4.16Å
76T93.9Very high78.1Confident11 Ų1162.4 Ų62.47%0.06733%0.327CS..EExtended strand (participates in β ladder)trans-122.9123.1170.756.40000109.1E51 V87 S254E51-T76 WeakPolarHBondContact CB-OG1 3.26Å; E51-T76 PolarHBondContact N-O 3.45Å; E51-T76 PolarHBondContact O-N 2.85Å; E51-T76 PolarHBondContact O-OG1 3.2Å; T76-V87 WeakPolarHBondContact CA-O 3.44Å; T76-S254 VanDerWaalsContact CG2-OG 3.23Å; T76-S254 WeakPolarHBondContact CG2-OG 3.49Å
77V95.4Very high80.7Confident3 Ų355.7 Ų55.72%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-113122.1175.4-177.10000107.4Y48 L50 V75 F86 V87 L261 L271Y48-V77 HydrophobicContact CD2-CG1 4.28Å; Y48-V77 HydrophobicContact CG-CG1 4.18Å; L50-V77 HydrophobicContact CD2-CB 4.3Å; L50-V77 HydrophobicContact CD2-CG1 3.68Å; L50-V77 HydrophobicContact CD2-CG2 4.06Å; V75-V77 HydrophobicContact CG1-CG2 3.95Å; V77-F86 CarbonylContact O-C 3.53Å; V77-F86 WeakPolarHBondContact O-CA 3.26Å; V77-F86 WeakPolarHBondContact O-CB 3.12Å; V77-V87 HydrophobicContact CB-CG2 4.06Å; V77-V87 PolarHBondContact N-O 2.91Å; V77-V87 PolarHBondContact O-N 3.47Å; V77-L261 HydrophobicContact CB-CD2 4.07Å; V77-L261 HydrophobicContact CG1-CD2 3.39Å; V77-L271 HydrophobicContact CG1-CD1 4.38Å; V77-L271 HydrophobicContact CG2-CD1 4.15Å
78R94.1Very high83.1Confident124 Ų12452.8 Ų52.847%0.46826%0.262SS..EExtended strand (participates in β ladder)trans-129.5135.2-173.8179175.8-171.3-153.72110.7Y48 V49 Y80 G83 F86Y48-R78 CarbonylContact C-O 3.58Å; Y48-R78 VanDerWaalsContact CA-O 3.26Å; Y48-R78 WeakPolarHBondContact CA-O 3.14Å; V49-R78 HydrophobicContact CB-CB 4.48Å; V49-R78 PolarHBondContact N-O 3.39Å; V49-R78 PolarHBondContact O-N 2.64Å; R78-Y80 PolarHBondContact O-N 2.78Å; R78-G83 PolarHBondContact NE-O 3.17Å; R78-G83 PolarHBondContact NH2-O 3.25Å; R78-F86 HydrophobicContact CB-CB 3.87Å; R78-F86 HydrophobicContact CG-CB 4.03Å
79D93.1Very high85.4Confident7 Ų748.5 Ų48.54%0.03723%0.232CC..EExtended strand (participates in β ladder)trans-62.2127.1168.3-168.8-49.4000109.4Y81 K82 D85 L261D79-Y81 VanDerWaalsContact C-N 3.32Å; D79-Y81 WeakPolarHBondContact OD1-CA 3.29Å; D79-Y81 PolarHBondContact OD1-N 3.14Å; D79-K82 HydrophobicContact CB-CB 4.02Å; D79-K82 PolarHBondContact OD1-N 3.33Å; D79-D85 HydrophobicContact CB-CB 3.97Å; D79-D85 PolarHBondContact N-O 2.81Å; D79-L261 HydrophobicContact CB-CD1 4.12Å
80Y91.1Very high87.4Confident106 Ų10642.4 Ų42.442%0.41620%0.202SC..SBendtrans-70.7-29.2-177.7-178.6-98.8000112.6R37 A47 V49 R78R37-Y80 VanDerWaalsContact NH2-CZ 3.29Å; R37-Y80 PolarHBondContact NH2-OH 2.78Å; A47-Y80 HydrophobicContact CB-CD1 4.33Å; A47-Y80 HydrophobicContact CB-CG 4.23Å; A47-Y80 WeakPolarHBondContact O-CB 3.44Å; A47-Y80 PolarHBondContact O-N 3.46Å; V49-Y80 HydrophobicContact CG2-CD2 3.68Å; R78-Y80 PolarHBondContact O-N 2.78Å
81Y88.5Confident89Confident106 Ų10639 Ų3942%0.41619%0.185SC..SBendtrans-98.6-52.2-177-60.9-71.3000111.3R45 A47 D79 G83R45-Y81 HydrophobicContact CB-CD2 4.36Å; R45-Y81 HydrophobicContact CB-CE1 4.33Å; R45-Y81 HydrophobicContact CB-CE2 3.6Å; R45-Y81 WeakPolarHBondContact O-CD2 3.45Å; R45-Y81 WeakPolarHBondContact O-CE2 3.44Å; A47-Y81 HydrophobicContact CB-CD2 4.3Å; A47-Y81 HydrophobicContact CB-CE2 3.63Å; D79-Y81 VanDerWaalsContact C-N 3.32Å; D79-Y81 WeakPolarHBondContact OD1-CA 3.29Å; D79-Y81 PolarHBondContact OD1-N 3.14Å; Y81-G83 PolarHBondContact O-N 3.24Å
82K85.1Confident90Very high84 Ų8440.4 Ų40.437%0.36520%0.196SC..SBendtrans-82.158.7175.4-53.8177.5-167.9160.10110.5D79 N84 D85 E262D79-K82 HydrophobicContact CB-CB 4.02Å; D79-K82 PolarHBondContact OD1-N 3.33Å; K82-N84 PolarHBondContact O-N 2.95Å; K82-D85 HydrophobicContact CB-CB 4.2Å; K82-D85 WeakPolarHBondContact CD-OD2 3.22Å; K82-D85 IonicContact NZ-OD2 3.71Å; K82-D85 WeakPolarHBondContact O-CB 3.41Å; K82-D85 PolarHBondContact O-N 2.97Å; K82-E262 IonicContact NZ-OE2 3.6Å; K82-E262 PolarHBondContact NZ-OE2 2.85Å
83G75.6Confident90.7Very high20 Ų2037.8 Ų37.821%0.20618%0.184CC..THydrogen-bonded Turntrans-54.7-4.8-163.700000119.1R78 Y81R78-G83 PolarHBondContact NE-O 3.17Å; R78-G83 PolarHBondContact NH2-O 3.25Å; Y81-G83 PolarHBondContact O-N 3.24Å
84N83.9Confident91Very high139 Ų13936.8 Ų36.874%0.74318%0.177SC*.THydrogen-bonded Turntrans-88.6-17.9169.4-64.8-15.3000113.2K82 F86K82-N84 PolarHBondContact O-N 2.95Å; N84-F86 WeakPolarHBondContact O-CD1 3.45Å; N84-F86 PolarHBondContact O-N 2.93Å
85D90.4Very high91.1Very high22 Ų2239.6 Ų39.612%0.11819%0.193CC..  trans-79.3107.5174.8-70-0.4000109.1D79 K82 T260D79-D85 HydrophobicContact CB-CB 3.97Å; D79-D85 PolarHBondContact N-O 2.81Å; K82-D85 HydrophobicContact CB-CB 4.2Å; K82-D85 WeakPolarHBondContact CD-OD2 3.22Å; K82-D85 IonicContact NZ-OD2 3.71Å; K82-D85 WeakPolarHBondContact O-CB 3.41Å; K82-D85 PolarHBondContact O-N 2.97Å; D85-T260 CarbonylContact C-O 3.47Å; D85-T260 VanDerWaalsContact CA-O 3.24Å; D85-T260 WeakPolarHBondContact CA-O 3.42Å; D85-T260 WeakPolarHBondContact CB-O 3.38Å
86F92.7Very high91.2Very high46 Ų4642.9 Ų42.920%0.20221%0.213CC..EExtended strand (participates in β ladder)trans-148.1159173.666-90.1000110.6V77 R78 N84 S254 G259 T260V77-F86 CarbonylContact O-C 3.53Å; V77-F86 WeakPolarHBondContact O-CA 3.26Å; V77-F86 WeakPolarHBondContact O-CB 3.12Å; R78-F86 HydrophobicContact CB-CB 3.87Å; R78-F86 HydrophobicContact CG-CB 4.03Å; N84-F86 WeakPolarHBondContact O-CD1 3.45Å; N84-F86 PolarHBondContact O-N 2.93Å; F86-S254 WeakPolarHBondContact CE2-O 3.38Å; F86-G259 CarbonylContact O-C 3.6Å; F86-G259 WeakPolarHBondContact O-CA 3.46Å; F86-T260 PolarHBondContact N-O 3.08Å; F86-T260 PolarHBondContact O-N 3.05Å
87V94.4Very high91.3Very high0 Ų042.5 Ų42.50%021%0.211CC..EExtended strand (participates in β ladder)trans-127.1144.8164-70.70000110.3T76 V77 L89 L217 S219 L261T76-V87 WeakPolarHBondContact CA-O 3.44Å; V77-V87 HydrophobicContact CB-CG2 4.06Å; V77-V87 PolarHBondContact N-O 2.91Å; V77-V87 PolarHBondContact O-N 3.47Å; V87-L89 HydrophobicContact CG2-CD2 4.33Å; V87-L217 HydrophobicContact CG1-CB 3.9Å; V87-L217 WeakPolarHBondContact CG1-O 3.43Å; V87-L217 HydrophobicContact CG2-CB 4.15Å; V87-L217 HydrophobicContact CG2-CD1 4.12Å; V87-S219 WeakPolarHBondContact CA-OG 3.37Å; V87-L261 HydrophobicContact CG1-CB 3.91Å; V87-L261 HydrophobicContact CG2-CB 4.08Å; V87-L261 HydrophobicContact CG2-CD2 4.09Å
88S93.2Very high91.3Very high1 Ų143.5 Ų43.51%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-122.9128.5175.5-52.80000109.5V75 S219 S254V75-S88 CarbonylContact O-C 3.52Å; V75-S88 WeakPolarHBondContact O-CA 3.45Å; S88-S219 PolarHBondContact N-OG 3.32Å; S88-S219 WeakPolarHBondContact O-CB 3.38Å; S88-S219 PolarHBondContact O-OG 2.76Å; S88-S254 WeakPolarHBondContact CB-O 3.36Å; S88-S254 WeakPolarHBondContact OG-CB 3.17Å; S88-S254 PolarHBondContact OG-O 3.33Å; S88-S254 PolarHBondContact OG-OG 2.97Å
89L93.7Very high91.4Very high1 Ų144.3 Ų44.31%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-137.5146.118052.2134.1000111.7V75 V87 I93 C94 L97 L185V75-L89 HydrophobicContact CB-CG 4.21Å; V75-L89 HydrophobicContact CG1-CG 4.48Å; V75-L89 PolarHBondContact N-O 2.99Å; V75-L89 PolarHBondContact O-N 2.61Å; V87-L89 HydrophobicContact CG2-CD2 4.33Å; L89-I93 HydrophobicContact CB-CD1 3.84Å; L89-I93 HydrophobicContact CB-CG1 4Å; L89-I93 HydrophobicContact CD1-CD1 4.47Å; L89-I93 HydrophobicContact CD1-CG1 3.96Å; L89-C94 VanDerWaalsContact CD1-SG 3.5Å; L89-L97 HydrophobicContact CD1-CD2 3.89Å; L89-L97 HydrophobicContact CD2-CD2 4.37Å; L89-L185 HydrophobicContact CD1-CD2 4.43Å; L89-L185 HydrophobicContact CD2-CD1 4.36Å; L89-L185 HydrophobicContact CD2-CD2 4.44Å
90P92Very high91.5Very high0 Ų045.1 Ų45.10%023%0.226CC..EExtended strand (participates in β ladder)trans-68.6149.4174.832.9-38.7000109.8W74 S92 I93 C178 T181 C183W74-P90 HydrophobicContact CD2-CB 4.17Å; W74-P90 HydrophobicContact CE3-CB 4.41Å; W74-P90 HydrophobicContact CH2-CB 4.39Å; W74-P90 HydrophobicContact CZ2-CB 4.12Å; W74-P90 HydrophobicContact CZ3-CB 4.5Å; P90-S92 WeakPolarHBondContact CB-OG 3.47Å; P90-S92 WeakPolarHBondContact CG-OG 3.46Å; P90-S92 PolarHBondContact O-N 3.34Å; P90-S92 VanDerWaalsContact O-N 3.14Å; P90-I93 HydrophobicContact CG-CD1 4.33Å; P90-I93 HydrophobicContact CG-CG1 4.07Å; P90-I93 HydrophobicContact CG-CG2 4.31Å; P90-I93 WeakPolarHBondContact O-CG1 3.35Å; P90-I93 PolarHBondContact O-N 3.28Å; P90-C178 HydrophobicContact CG-CB 4.19Å; P90-T181 HydrophobicContact CB-CG2 3.8Å; P90-T181 HydrophobicContact CG-CG2 4.24Å; P90-T181 WeakPolarHBondContact CG-OG1 3.33Å; P90-C183 HydrophobicContact CG-CB 4.26Å
91V91.5Very high91.7Very high19 Ų1940 Ų4012%0.11521%0.206CC..Hα-helixtrans-60.3-26.9179166.20000112.7P73 V75 I93 C94 V278 Y282P73-V91 HydrophobicContact CB-CG2 3.96Å; P73-V91 HydrophobicContact CG-CB 4.09Å; P73-V91 HydrophobicContact CG-CG2 3.85Å; P73-V91 WeakPolarHBondContact O-CB 3.26Å; P73-V91 VanDerWaalsContact O-CG2 3.24Å; P73-V91 WeakPolarHBondContact O-CG2 3.44Å; P73-V91 PolarHBondContact O-N 2.82Å; V75-V91 HydrophobicContact CG2-CG2 4.05Å; V91-I93 PolarHBondContact O-N 2.94Å; V91-C94 WeakPolarHBondContact O-CB 3.45Å; V91-C94 PolarHBondContact O-N 2.78Å; V91-C94 VanDerWaalsContact O-N 3.09Å; V91-V278 HydrophobicContact CB-CG1 4.38Å; V91-V278 HydrophobicContact CG1-CG1 3.94Å; V91-V278 HydrophobicContact CG2-CG1 3.66Å; V91-Y282 HydrophobicContact CG1-CD2 3.98Å; V91-Y282 HydrophobicContact CG1-CG 4.04Å; V91-Y282 HydrophobicContact CG2-CD2 4.25Å
92S89.3Confident92Very high68 Ų6838.6 Ų38.648%0.47621%0.205SC..Hα-helixtrans-54.6-31.5175.854.10000114.6P90 C178P90-S92 WeakPolarHBondContact CB-OG 3.47Å; P90-S92 WeakPolarHBondContact CG-OG 3.46Å; P90-S92 PolarHBondContact O-N 3.34Å; P90-S92 VanDerWaalsContact O-N 3.14Å; S92-C178 PolarHBondContact OG-SG 3.13Å
93I93Very high92.4Very high7 Ų738.5 Ų38.54%0.03621%0.211CC..Hα-helixtrans-96.9-5.4179.371.4175.1000114.2L89 P90 V91 N95 T96 L97 I176 C178 L185L89-I93 HydrophobicContact CB-CD1 3.84Å; L89-I93 HydrophobicContact CB-CG1 4Å; L89-I93 HydrophobicContact CD1-CD1 4.47Å; L89-I93 HydrophobicContact CD1-CG1 3.96Å; P90-I93 HydrophobicContact CG-CD1 4.33Å; P90-I93 HydrophobicContact CG-CG1 4.07Å; P90-I93 HydrophobicContact CG-CG2 4.31Å; P90-I93 WeakPolarHBondContact O-CG1 3.35Å; P90-I93 PolarHBondContact O-N 3.28Å; V91-I93 PolarHBondContact O-N 2.94Å; I93-N95 PolarHBondContact O-N 3.4Å; I93-T96 PolarHBondContact O-N 2.84Å; I93-T96 VanDerWaalsContact O-N 3.17Å; I93-L97 PolarHBondContact O-N 2.69Å; I93-I176 HydrophobicContact CB-CG2 4.03Å; I93-I176 HydrophobicContact CD1-CG2 4.38Å; I93-I176 HydrophobicContact CG2-CG2 3.9Å; I93-C178 HydrophobicContact CG2-CB 3.65Å; I93-L185 HydrophobicContact CD1-CB 3.6Å; I93-L185 HydrophobicContact CD1-CD2 3.82Å; I93-L185 HydrophobicContact CD1-CG 4.33Å
94C94.3Very high93.2Very high0 Ų037.5 Ų37.50%020%0.201CC..Hα-helixtrans-59.5-34.1-177.7-71.80000112.6L89 V91 L98 L275 V278 V279L89-C94 VanDerWaalsContact CD1-SG 3.5Å; V91-C94 WeakPolarHBondContact O-CB 3.45Å; V91-C94 PolarHBondContact O-N 2.78Å; V91-C94 VanDerWaalsContact O-N 3.09Å; C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 PolarHBondContact O-N 2.76Å; C94-L275 HydrophobicContact CB-CD2 4.38Å; C94-V278 HydrophobicContact CB-CG1 4.45Å; C94-V279 VanDerWaalsContact C-CG2 3.5Å; C94-V279 HydrophobicContact CB-CG2 3.61Å
95N94.1Very high93.6Very high68 Ų6832.3 Ų32.336%0.36418%0.177SC..Hα-helixtrans-68.5-42.5178.3-17322.2000112I93 K99 V279I93-N95 PolarHBondContact O-N 3.4Å; N95-K99 WeakPolarHBondContact O-CB 3.47Å; N95-K99 WeakPolarHBondContact O-CG 3.16Å; N95-K99 PolarHBondContact O-N 2.73Å; N95-K99 WeakPolarHBondContact OD1-CE 3.4Å; N95-V279 HydrophobicContact CB-CG1 3.96Å; N95-V279 HydrophobicContact CB-CG2 3.96Å; N95-V279 VanDerWaalsContact N-CG2 3.35Å
96T95.2Very high93.5Very high68 Ų6832.8 Ų32.842%0.41718%0.181SC..Hα-helixtrans-65.9-44.4176.6-490000110.8I93 H100 I176I93-T96 PolarHBondContact O-N 2.84Å; I93-T96 VanDerWaalsContact O-N 3.17Å; T96-H100 WeakPolarHBondContact O-CB 3.24Å; T96-H100 PolarHBondContact O-N 2.84Å; T96-I176 HydrophobicContact CG2-CD1 3.82Å; T96-I176 HydrophobicContact CG2-CG1 4.19Å; T96-I176 HydrophobicContact CG2-CG2 4.41Å
97L96.1Very high92.9Very high3 Ų334.5 Ų34.52%0.01620%0.195CC..Hα-helixtrans-61.4-49.5175179.864.3000111.5L89 I93 K99 H100 L101 I176 L185 V187 L217 L275L89-L97 HydrophobicContact CD1-CD2 3.89Å; L89-L97 HydrophobicContact CD2-CD2 4.37Å; I93-L97 PolarHBondContact O-N 2.69Å; L97-K99 PolarHBondContact O-N 2.78Å; L97-H100 PolarHBondContact O-N 2.81Å; L97-H100 VanDerWaalsContact O-N 3.16Å; L97-L101 HydrophobicContact CD1-CD1 3.9Å; L97-L101 HydrophobicContact CD1-CD2 4.22Å; L97-L101 HydrophobicContact CD1-CG 3.81Å; L97-L101 HydrophobicContact CD2-CD1 4.34Å; L97-L101 HydrophobicContact CG-CD1 3.82Å; L97-L101 HydrophobicContact CG-CG 4.1Å; L97-L101 WeakPolarHBondContact O-CB 3.46Å; L97-L101 WeakPolarHBondContact O-CG 3.18Å; L97-L101 PolarHBondContact O-N 3.33Å; L97-I176 HydrophobicContact CB-CD1 4.5Å; L97-L185 HydrophobicContact CB-CD2 4.35Å; L97-L185 HydrophobicContact CD1-CD2 3.86Å; L97-L185 HydrophobicContact CD2-CD2 3.82Å; L97-L185 HydrophobicContact CG-CD2 4.22Å; L97-V187 HydrophobicContact CD1-CG2 4.43Å; L97-L217 HydrophobicContact CD1-CD2 4Å; L97-L275 HydrophobicContact CD2-CD1 4.01Å; L97-L275 HydrophobicContact CG-CD1 4.3Å
98L95.8Very high91.3Very high25 Ų2535.3 Ų35.313%0.13120%0.203CC..Hα-helixtrans-54-51.8178.317464.9000111.5C94 H100 L101 M102 L272 L275 A276 V279C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 PolarHBondContact O-N 2.76Å; L98-H100 VanDerWaalsContact C-N 3.31Å; L98-H100 PolarHBondContact O-N 2.81Å; L98-L101 PolarHBondContact O-N 3.3Å; L98-M102 WeakPolarHBondContact O-CG 3.26Å; L98-M102 PolarHBondContact O-N 3.2Å; L98-L272 HydrophobicContact CD1-CB 4.26Å; L98-L272 HydrophobicContact CD1-CD2 3.72Å; L98-L272 WeakPolarHBondContact CD1-O 3.39Å; L98-L275 HydrophobicContact CB-CB 4.36Å; L98-L275 HydrophobicContact CD1-CB 4.08Å; L98-A276 HydrophobicContact CD1-CB 4.42Å; L98-A276 HydrophobicContact CD2-CB 3.97Å; L98-V279 HydrophobicContact CD2-CG2 4.31Å
99K95.7Very high88.9Confident140 Ų14041.1 Ų41.161%0.60923%0.234SC*.Hα-helixtrans-59.7-40.9177.6-73.2175.3178-174.70112.4N95 L97N95-K99 WeakPolarHBondContact O-CB 3.47Å; N95-K99 WeakPolarHBondContact O-CG 3.16Å; N95-K99 PolarHBondContact O-N 2.73Å; N95-K99 WeakPolarHBondContact OD1-CE 3.4Å; L97-K99 PolarHBondContact O-N 2.78Å
100H96.5Very high86.6Confident24 Ų2449.7 Ų49.711%0.11127%0.274CS..Hα-helixtrans-68.9-45.8178.4177.874.8000112.2T96 L97 L98 M102 T103 L171 K172 I174T96-H100 WeakPolarHBondContact O-CB 3.24Å; T96-H100 PolarHBondContact O-N 2.84Å; L97-H100 PolarHBondContact O-N 2.81Å; L97-H100 VanDerWaalsContact O-N 3.16Å; L98-H100 VanDerWaalsContact C-N 3.31Å; L98-H100 PolarHBondContact O-N 2.81Å; H100-M102 PolarHBondContact O-N 2.93Å; H100-T103 WeakPolarHBondContact O-CB 3.42Å; H100-T103 WeakPolarHBondContact O-CG2 3.34Å; H100-T103 PolarHBondContact O-N 3.12Å; H100-T103 PolarHBondContact O-OG1 3.04Å; H100-L171 WeakPolarHBondContact NE2-CD1 3.39Å; H100-L171 WeakPolarHBondContact O-CD1 3.34Å; H100-K172 PolarHBondContact CE1-O 2.91Å; H100-K172 PolarHBondContact NE2-O 3.43Å; H100-K172 VanDerWaalsContact NE2-O 3.14Å; H100-I174 WeakPolarHBondContact NE2-CG2 2.99Å
101L95.6Very high83.7Confident0 Ų056.8 Ų56.80%031%0.307CS..Hα-helixtrans-64-26.9176.7-68.5-177.4000112.7L97 L98 T103 C104 L171 L263 M268 L271 L272 L275L97-L101 HydrophobicContact CD1-CD1 3.9Å; L97-L101 HydrophobicContact CD1-CD2 4.22Å; L97-L101 HydrophobicContact CD1-CG 3.81Å; L97-L101 HydrophobicContact CD2-CD1 4.34Å; L97-L101 HydrophobicContact CG-CD1 3.82Å; L97-L101 HydrophobicContact CG-CG 4.1Å; L97-L101 WeakPolarHBondContact O-CB 3.46Å; L97-L101 WeakPolarHBondContact O-CG 3.18Å; L97-L101 PolarHBondContact O-N 3.33Å; L98-L101 PolarHBondContact O-N 3.3Å; L101-T103 PolarHBondContact O-N 3.25Å; L101-C104 PolarHBondContact O-SG 3.15Å; L101-L171 HydrophobicContact CD2-CD1 4.31Å; L101-L171 HydrophobicContact CD2-CD2 3.85Å; L101-L263 HydrophobicContact CD2-CD1 4.03Å; L101-M268 HydrophobicContact CB-CE 3.89Å; L101-M268 HydrophobicContact CD2-CE 4.17Å; L101-M268 HydrophobicContact CG-CE 4.41Å; L101-L271 HydrophobicContact CD1-CD2 4.41Å; L101-L272 HydrophobicContact CB-CD2 3.59Å; L101-L272 HydrophobicContact CD1-CD2 4.49Å; L101-L275 HydrophobicContact CD1-CD1 3.96Å
102M94.1Very high80.8Confident76 Ų7661 Ų6137%0.37434%0.344SS..G310 helixtrans-67.2-17.9170.8-74.5-62.5-58.100113.6L98 H100 C104 A105 L272L98-M102 WeakPolarHBondContact O-CG 3.26Å; L98-M102 PolarHBondContact O-N 3.2Å; H100-M102 PolarHBondContact O-N 2.93Å; M102-C104 PolarHBondContact O-N 3.12Å; M102-A105 HydrophobicContact CE-CB 4.23Å; M102-A105 VanDerWaalsContact O-CB 3.26Å; M102-A105 WeakPolarHBondContact O-CB 3.33Å; M102-A105 PolarHBondContact O-N 2.87Å; M102-A105 VanDerWaalsContact O-N 3.12Å; M102-L272 HydrophobicContact CG-CD2 4.07Å; M102-L272 HydrophobicContact SD-CD1 3.77Å; M102-L272 HydrophobicContact SD-CD2 3.97Å; M102-L272 HydrophobicContact SD-CG 4.33Å
103T93.9Very high77.9Confident81 Ų8164.7 Ų64.750%0.49735%0.354SS..G310 helixtrans-69.8-14.6-179.2660000114.2H100 L101H100-T103 WeakPolarHBondContact O-CB 3.42Å; H100-T103 WeakPolarHBondContact O-CG2 3.34Å; H100-T103 PolarHBondContact O-N 3.12Å; H100-T103 PolarHBondContact O-OG1 3.04Å; L101-T103 PolarHBondContact O-N 3.25Å
104C92.5Very high74.8Confident0 Ų069.5 Ų69.50%039%0.388CS..G310 helixtrans-98.28.1173.3710000114L101 M102 F166 Q167 L170 L171L101-C104 PolarHBondContact O-SG 3.15Å; M102-C104 PolarHBondContact O-N 3.12Å; C104-F166 WeakPolarHBondContact O-CA 3.45Å; C104-Q167 WeakPolarHBondContact CB-O 3.41Å; C104-Q167 PolarHBondContact O-N 3.14Å; C104-L170 HydrophobicContact CB-CB 4.23Å; C104-L171 HydrophobicContact CB-CB 4Å; C104-L171 HydrophobicContact CB-CD1 4.16Å
105A91.5Very high71.9Confident29 Ų2974.7 Ų74.724%0.2442%0.424CS..EExtended strand (participates in β ladder)trans-74.9125.3169.900000110.1M102 H164 F166M102-A105 HydrophobicContact CE-CB 4.23Å; M102-A105 VanDerWaalsContact O-CB 3.26Å; M102-A105 WeakPolarHBondContact O-CB 3.33Å; M102-A105 PolarHBondContact O-N 2.87Å; M102-A105 VanDerWaalsContact O-N 3.12Å; A105-H164 HydrophobicContact CB-CB 4.44Å; A105-F166 HydrophobicContact CB-CD1 4.12Å; A105-F166 HydrophobicContact CB-CE1 3.57Å; A105-F166 HydrophobicContact CB-CZ 4.06Å
106T88Confident68.9Low33 Ų3379.5 Ų79.520%0.20245%0.445CS..EExtended strand (participates in β ladder)trans-107.4138.7166.655.30000109.1H164 T165 Q167 L170T106-H164 WeakPolarHBondContact O-CA 3.17Å; T106-T165 PolarHBondContact N-O 2.81Å; T106-T165 PolarHBondContact O-N 3.25Å; T106-T165 PolarHBondContact O-OG1 3.05Å; T106-T165 PolarHBondContact OG1-O 2.72Å; T106-T165 VanDerWaalsContact OG1-O 3.13Å; T106-T165 PolarHBondContact OG1-OG1 3.12Å; T106-Q167 HydrophobicContact CG2-CG 4.37Å; T106-L170 HydrophobicContact CG2-CD1 3.66Å
107V80.7Confident65.7Low81 Ų8182.9 Ų82.949%0.49146%0.46SS..EExtended strand (participates in β ladder)trans-79.2121.7167.8177.70000106.4D109 K162V107-D109 PolarHBondContact O-N 3.29Å; V107-K162 HydrophobicContact CG1-CB 3.84Å; V107-K162 HydrophobicContact CG1-CD 3.57Å; V107-K162 HydrophobicContact CG1-CG 4.36Å
108G60.5Low62.8Low17 Ų1788.1 Ų88.118%0.17550%0.497CS..  trans-65.997.9178.600000111.2H110 K162G108-H110 PolarHBondContact O-N 2.96Å; G108-K162 WeakPolarHBondContact O-CD 3.31Å
109D43.6Very low59.6Low124 Ų12494.8 Ų94.866%0.66353%0.527SS*.  trans-78.494.4157.4-74.2-28.8000107.6V107 Q111 K162V107-D109 PolarHBondContact O-N 3.29Å; D109-Q111 PolarHBondContact O-N 2.87Å; D109-K162 IonicContact OD1-NZ 2.76Å; D109-K162 PolarHBondContact OD1-NZ 3.3Å
110H43.8Very low56.7Low181 Ų18195.2 Ų95.284%0.83854%0.535SS*.  trans-63.494.5156.9-76.6-68.2000107.3G108 A112G108-H110 PolarHBondContact O-N 2.96Å; H110-A112 PolarHBondContact O-N 2.83Å
111Q31.2Very low53.4Low148 Ų148101.9 Ų101.969%0.69257%0.566SS**  trans-45.5125.1153.4-165.1173.5-11.800106.7D109 E113D109-Q111 PolarHBondContact O-N 2.87Å; Q111-E113 HydrophobicContact CB-CG 4.31Å; Q111-E113 HydrophobicContact CG-CG 3.87Å; Q111-E113 PolarHBondContact NE2-OE1 3.16Å; Q111-E113 VanDerWaalsContact NE2-OE1 3.15Å; Q111-E113 PolarHBondContact O-N 2.97Å
112A31Very low50.3Low108 Ų108107.4 Ų107.489%0.89360%0.604SS**  trans-7568.2177.300000108.8H110 S114H110-A112 PolarHBondContact O-N 2.83Å; A112-S114 PolarHBondContact O-N 2.93Å
113E29.2Very low47.4Very low146 Ų146108.8 Ų108.868%0.68262%0.616SS**  trans-78.1119.3167-63.1-161.3155.300108Q111 S115Q111-E113 HydrophobicContact CB-CG 4.31Å; Q111-E113 HydrophobicContact CG-CG 3.87Å; Q111-E113 PolarHBondContact NE2-OE1 3.16Å; Q111-E113 VanDerWaalsContact NE2-OE1 3.15Å; Q111-E113 PolarHBondContact O-N 2.97Å; E113-S115 PolarHBondContact O-N 2.84Å
114S27.8Very low44.4Very low108 Ų108109.5 Ų109.576%0.75563%0.625SS**  trans-55.7118.1173.646.60000112.1A112A112-S114 PolarHBondContact O-N 2.93Å
115S34Very low41.4Very low108 Ų108115 Ų11576%0.75566%0.663SS**  trans-126.798.213362.10000105.2E113E113-S115 PolarHBondContact O-N 2.84Å
116E31.2Very low38.8Very low170 Ų170119.5 Ų119.579%0.79469%0.69SS**  57.512884.1-67.5-164.2149.400112.1S118E116-S118 PolarHBondContact O-N 2.9Å
117D27.7Very low35.9Very low138 Ų138123 Ų12374%0.73872%0.716SS**  trans-39.3122.9-167.9-61.9-55.6000115.6E119D117-E119 HydrophobicContact CB-CG 4.24Å
118S34.1Very low33.7Very low114 Ų114125.2 Ų125.280%0.79773%0.732SS**  trans-111.166147-64.10000108E116 I120E116-S118 PolarHBondContact O-N 2.9Å; S118-I120 VanDerWaalsContact C-N 3.29Å; S118-I120 PolarHBondContact O-N 2.87Å
119E28.9Very low32.2Very low164 Ų164133.9 Ų133.977%0.76677%0.765SS**  trans-6096.8159.7-71.1-167.8141.500107.7D117 E121D117-E119 HydrophobicContact CB-CG 4.24Å; E119-E121 PolarHBondContact O-N 3.06Å
120I35.1Very low31.6Very low149 Ų149135.2 Ų135.276%0.76478%0.777SS**  trans-78.284.2166.3-55.7177.2000106.5S118 C122S118-I120 VanDerWaalsContact C-N 3.29Å; S118-I120 PolarHBondContact O-N 2.87Å; I120-C122 VanDerWaalsContact C-N 3.3Å; I120-C122 PolarHBondContact O-N 2.82Å
121E26.9Very low31Very low164 Ų164130.2 Ų130.277%0.76678%0.775SS**  trans-6088.3168.9-172.3-176.7-168.600109.7E119 T123E119-E121 PolarHBondContact O-N 3.06Å; E121-T123 HydrophobicContact CG-CG2 4.21Å
122C29.9Very low30.8Very low117 Ų117132.2 Ų132.279%0.79178%0.784SS**  trans-89.9101.4163.4-84.40000108.5I120I120-C122 VanDerWaalsContact C-N 3.3Å; I120-C122 PolarHBondContact O-N 2.82Å
123T33.5Very low30.7Very low104 Ų104136.1 Ų136.164%0.63878%0.783SS**  trans-58.8131-173.540.50000114.3E121E121-T123 HydrophobicContact CG-CG2 4.21Å
124S31.3Very low30.7Very low97 Ų97133.7 Ų133.768%0.67879%0.788SS**  trans23.7114.1144.660.10000120.3
125S30Very low30.6Very low116 Ų116133.3 Ų133.381%0.81179%0.786SS**  55.2164.2112.2-59.40000120.9
126P36.7Very low30.5Very low122 Ų122135.5 Ų135.579%0.79279%0.788SS**  cis-134.9169.812.340.7-22.8000117.4
127S25.9Very low30.4Very low108 Ų108132.1 Ų132.176%0.75578%0.78SS**PPolyproline II helixtrans-70154.2166.1-35.10000112.8
128P34.6Very low30.6Very low127 Ų127133.3 Ų133.383%0.82578%0.78SS**PPolyproline II helixtrans-81.8140152.833.2-29.5000110.7
129K28.9Very low30.3Very low198 Ų198134.1 Ų134.186%0.86178%0.781SS**PPolyproline II helixtrans-89.1162.1165-70.9-179.5174.9-177.70110.2
130V31.4Very low30.4Very low153 Ų153132.4 Ų132.493%0.92779%0.787SS**  trans141.5129.4136.3167.20000110.5
131G32.4Very low30.2Very low76 Ų76128.5 Ų128.578%0.78478%0.783SS**  trans142.670.3170.700000114.6
132E26.9Very low30.1Very low190 Ų190129.4 Ų129.489%0.88879%0.787SS**  trans-85.9140.7158.6-76.9174.5110.300109.7
133E29.1Very low29.9Very low189 Ų189130 Ų13088%0.88379%0.787SS**  trans148.8144.9131-80-159.3147.700114
134A29.3Very low29.7Very low95 Ų95131.3 Ų131.379%0.78580%0.795SS**  trans51.5122162.200000119.9
135S25.6Very low29.6Very low101 Ų101132.3 Ų132.371%0.70680%0.802SS**  cis97.2127.143.1-171.70000113.6
136L31.9Very low29.4Very low154 Ų154135.5 Ų135.581%0.80680%0.804SS**  trans67.3144.6160.3-69.5165.8000118
137T28.4Very low29.1Very low99 Ų99135.4 Ų135.461%0.60780%0.801SS**  cis-157.8174.1-16.3-21.60000109.4
138E32.2Very low29.1Very low162 Ų162139.2 Ų139.276%0.75781%0.807SS**  trans60.899.9149.7-75.6158.7-142.100119.6
139T27.6Very low28.8Very low131 Ų131136.5 Ų136.580%0.80480%0.802SS**  63.2105.287.661.50000117.5
140S31.5Very low28.7Very low129 Ų129130.8 Ų130.890%0.90280%0.8SS**  -177.2152129.5-169.10000111.7
141G29.6Very low28.5Very low66 Ų66127.5 Ų127.568%0.6879%0.788SS**  trans87.677.3146.600000119.9
142E25.5Very low28.3Very low183 Ų183133 Ų13386%0.85579%0.791SS**  49.8134.7127.7-139.2165.3-176.400122.5
143T26.4Very low28.3Very low129 Ų129129.4 Ų129.479%0.79178%0.782SS**  trans88.9136.9169.5730000119.7
144V28Very low28.2Very low133 Ų133125.8 Ų125.881%0.80677%0.773SS**  trans63.884170.5-1610000117.5
145S28.9Very low28.1Very low117 Ų117129.8 Ų129.882%0.81877%0.773SS**  trans-104.179.7159.5660000111.7
146Q26.2Very low28Very low183 Ų183134.2 Ų134.286%0.85578%0.779SS**  trans-8797.1156-179.3-179.20.400107.6
147V31Very low28Very low121 Ų121132.3 Ų132.373%0.73377%0.773SS**  trans-135.598.4170.4-178.80000105.5
148E26.6Very low28Very low187 Ų187133.1 Ų133.187%0.87478%0.783SS**  62.356.880.2-157.5168.4-132.800112.8
149G28Very low28.2Very low70 Ų70129.2 Ų129.272%0.72277%0.774SS**  trans-102.386.6162.200000109.9A151G149-A151 PolarHBondContact O-N 2.82Å
150G25.9Very low28.7Very low79 Ų79127.2 Ų127.281%0.81478%0.779SS**  trans-6960.8-177.800000114.5K152G150-K152 VanDerWaalsContact C-N 3.26Å; G150-K152 PolarHBondContact O-N 2.95Å
151A27.5Very low29.7Very low83 Ų83126.5 Ų126.569%0.68677%0.769SS**  trans-67.786.6170.800000109.4G149 V153G149-A151 PolarHBondContact O-N 2.82Å; A151-V153 PolarHBondContact O-N 2.86Å
152K27.9Very low31Very low191 Ų191128.2 Ų128.283%0.8376%0.758SS**  trans-64.586169.8-162.3176.1-168.61760107.4G150 T154G150-K152 VanDerWaalsContact C-N 3.26Å; G150-K152 PolarHBondContact O-N 2.95Å; K152-T154 PolarHBondContact O-N 2.83Å
153V27.8Very low33.1Very low115 Ų115124.5 Ų124.570%0.69775%0.749SS**  trans-65.982.6176.2-177.90000107.9A151 K155A151-V153 PolarHBondContact O-N 2.86Å; V153-K155 HydrophobicContact CG1-CG 4.27Å; V153-K155 PolarHBondContact O-N 3.05Å
154T26.5Very low35.6Very low114 Ų114122.1 Ų122.170%0.69973%0.729SS**  trans-58.295.5158.746.60000106K152 K156K152-T154 PolarHBondContact O-N 2.83Å; T154-K156 PolarHBondContact O-N 2.9Å
155K26.6Very low38.5Very low179 Ų179119 Ų11978%0.77871%0.711SS**  trans-60.390.4168.4-74.4-179.6176.2173.50107.2V153 V157V153-K155 HydrophobicContact CG1-CG 4.27Å; V153-K155 PolarHBondContact O-N 3.05Å; K155-V157 HydrophobicContact CB-CG2 4.17Å; K155-V157 PolarHBondContact O-N 2.74Å
156K25Very low41.4Very low193 Ų193114.8 Ų114.884%0.83968%0.678SS**  trans-58.689.7153.3-94.2-176.1171.9177.70105.4T154 S158T154-K156 PolarHBondContact O-N 2.9Å; K156-S158 PolarHBondContact O-N 3.35Å
157V30.4Very low44.5Very low114 Ų114110.5 Ų110.569%0.69166%0.658SS**  trans-72.577166.3-177.90000105.8K155 S159K155-V157 HydrophobicContact CB-CG2 4.17Å; K155-V157 PolarHBondContact O-N 2.74Å; V157-S159 PolarHBondContact O-N 2.98Å
158S28.9Very low47.4Very low117 Ų117105.1 Ų105.182%0.81863%0.625SS**  trans-74.375.4173.757.40000108.9K156K156-S158 PolarHBondContact O-N 3.35Å
159S36.9Very low50.5Low80 Ų8098.5 Ų98.556%0.55960%0.599SS**  trans-12289.4162.560.90000107.8V157 V161V157-S159 PolarHBondContact O-N 2.98Å; S159-V161 PolarHBondContact O-N 3.36Å
160G37.1Very low53.5Low89 Ų8999 Ų9992%0.91859%0.585SS**  trans-70.342.2179.300000114K162G160-K162 PolarHBondContact O-N 2.96Å
161V52.2Low56.7Low113 Ų11395.3 Ų95.369%0.68555%0.546SS*.  trans-88.699171.7-175.70000106.7S159S159-V161 PolarHBondContact O-N 3.36Å
162K56.9Low59.8Low103 Ų10399.1 Ų99.145%0.44855%0.547SS..PPolyproline II helixtrans-48.6123.9173.3-78.8177.9167.6177.80109V107 G108 D109 G160 H164V107-K162 HydrophobicContact CG1-CB 3.84Å; V107-K162 HydrophobicContact CG1-CD 3.57Å; V107-K162 HydrophobicContact CG1-CG 4.36Å; G108-K162 WeakPolarHBondContact O-CD 3.31Å; D109-K162 IonicContact OD1-NZ 2.76Å; D109-K162 PolarHBondContact OD1-NZ 3.3Å; G160-K162 PolarHBondContact O-N 2.96Å; K162-H164 PolarHBondContact O-N 2.65Å; K162-H164 PolarHBondContact O-ND1 3Å
163P70.9Confident63Low104 Ų10494.4 Ų94.468%0.67554%0.536SS*.PPolyproline II helixtrans-60.6130.7-178.525.6-33.6000109.4T165P163-T165 PolarHBondContact O-N 3.37Å
164H78.8Confident66.2Low80 Ų8091.6 Ų91.637%0.3752%0.517SS..EExtended strand (participates in β ladder)trans-71.9124.6177.2-651.6000109.7A105 T106 K162 F166A105-H164 HydrophobicContact CB-CB 4.44Å; T106-H164 WeakPolarHBondContact O-CA 3.17Å; K162-H164 PolarHBondContact O-N 2.65Å; K162-H164 PolarHBondContact O-ND1 3Å; H164-F166 HydrophobicContact CB-CE2 3.82Å; H164-F166 HydrophobicContact CB-CZ 3.98Å; H164-F166 WeakPolarHBondContact O-CE2 3.34Å
165T87.7Confident69.4Low68 Ų6894 Ų9442%0.41751%0.513SS..EExtended strand (participates in β ladder)trans-87.8144.6167.2390000108.8T106 P163T106-T165 PolarHBondContact N-O 2.81Å; T106-T165 PolarHBondContact O-N 3.25Å; T106-T165 PolarHBondContact O-OG1 3.05Å; T106-T165 PolarHBondContact OG1-O 2.72Å; T106-T165 VanDerWaalsContact OG1-O 3.13Å; T106-T165 PolarHBondContact OG1-OG1 3.12Å; P163-T165 PolarHBondContact O-N 3.37Å
166F90Very high72.7Confident27 Ų2786.2 Ų86.212%0.11848%0.48CS..EExtended strand (participates in β ladder)trans-115.8119.1-176.5-71.5-88.1000110C104 A105 H164 M268 P269 L272C104-F166 WeakPolarHBondContact O-CA 3.45Å; A105-F166 HydrophobicContact CB-CD1 4.12Å; A105-F166 HydrophobicContact CB-CE1 3.57Å; A105-F166 HydrophobicContact CB-CZ 4.06Å; H164-F166 HydrophobicContact CB-CE2 3.82Å; H164-F166 HydrophobicContact CB-CZ 3.98Å; H164-F166 WeakPolarHBondContact O-CE2 3.34Å; F166-M268 HydrophobicContact CB-CB 4.01Å; F166-M268 HydrophobicContact CB-CG 4.23Å; F166-M268 HydrophobicContact CD1-CB 3.91Å; F166-M268 HydrophobicContact CD1-CE 4.2Å; F166-M268 HydrophobicContact CD1-CG 4.48Å; F166-M268 HydrophobicContact CD2-CB 3.99Å; F166-M268 HydrophobicContact CE1-CB 4.43Å; F166-M268 HydrophobicContact CG-CB 3.66Å; F166-M268 HydrophobicContact CG-CG 4.33Å; F166-P269 HydrophobicContact CD2-CG 3.89Å; F166-P269 HydrophobicContact CE2-CB 4.2Å; F166-P269 HydrophobicContact CE2-CG 3.7Å; F166-L272 HydrophobicContact CD1-CD1 4.1Å; F166-L272 HydrophobicContact CE1-CD1 3.18Å; F166-L272 HydrophobicContact CE2-CD1 4.35Å; F166-L272 HydrophobicContact CZ-CD1 3.34Å
167Q91.8Very high75.9Confident94 Ų9480.3 Ų80.344%0.43946%0.46SS..  trans-110.295.1179.7-70.6-177.5-4.900109.4C104 T106 S169 L170C104-Q167 WeakPolarHBondContact CB-O 3.41Å; C104-Q167 PolarHBondContact O-N 3.14Å; T106-Q167 HydrophobicContact CG2-CG 4.37Å; Q167-S169 PolarHBondContact O-N 3.05Å; Q167-S169 VanDerWaalsContact O-N 3.07Å; Q167-L170 HydrophobicContact CB-CD1 3.98Å; Q167-L170 HydrophobicContact CB-CG 3.99Å; Q167-L170 WeakPolarHBondContact O-CB 3.18Å; Q167-L170 PolarHBondContact O-N 3.03Å
168L92.3Very high78.7Confident8 Ų875.5 Ų75.54%0.04243%0.431CS..G310 helixtrans-59.8-22.9-175.8-67.4178.8000113.3L170 L171 D213 R215 L263 A265 M268L168-L170 PolarHBondContact O-N 3.33Å; L168-L171 VanDerWaalsContact O-CB 3.26Å; L168-L171 WeakPolarHBondContact O-CB 3.47Å; L168-L171 PolarHBondContact O-N 3.33Å; L168-D213 WeakPolarHBondContact CB-O 3.1Å; L168-D213 WeakPolarHBondContact CD1-O 3.47Å; L168-R215 HydrophobicContact CB-CG 3.96Å; L168-R215 WeakPolarHBondContact O-CG 3.32Å; L168-R215 PolarHBondContact O-NE 3.14Å; L168-R215 VanDerWaalsContact O-NE 3.14Å; L168-R215 PolarHBondContact O-NH2 3.07Å; L168-L263 HydrophobicContact CD1-CB 4.21Å; L168-L263 WeakPolarHBondContact CD1-O 3.47Å; L168-L263 HydrophobicContact CD2-CB 4.35Å; L168-A265 HydrophobicContact CD1-CB 4.11Å; L168-A265 HydrophobicContact CG-CB 4.11Å; L168-M268 HydrophobicContact CD2-CG 4.19Å; L168-M268 HydrophobicContact CD2-SD 4.17Å
169S91.2Very high81.5Confident47 Ų4777.8 Ų77.833%0.32943%0.429SS..G310 helixtrans-55.3-34.1170.254.10000113.9Q167 L171 P212 R215Q167-S169 PolarHBondContact O-N 3.05Å; Q167-S169 VanDerWaalsContact O-N 3.07Å; S169-L171 VanDerWaalsContact C-N 3.3Å; S169-L171 PolarHBondContact O-N 3.49Å; S169-P212 WeakPolarHBondContact CA-O 3.39Å; S169-P212 WeakPolarHBondContact CB-O 3.38Å; S169-R215 PolarHBondContact O-NH2 3.3Å
170L92.4Very high83.7Confident81 Ų8177.4 Ų77.442%0.42443%0.431SS..G310 helixtrans-74.6-17.6176.7-57.7-179.6000113.6C104 T106 Q167 L168 K172C104-L170 HydrophobicContact CB-CB 4.23Å; T106-L170 HydrophobicContact CG2-CD1 3.66Å; Q167-L170 HydrophobicContact CB-CD1 3.98Å; Q167-L170 HydrophobicContact CB-CG 3.99Å; Q167-L170 WeakPolarHBondContact O-CB 3.18Å; Q167-L170 PolarHBondContact O-N 3.03Å; L168-L170 PolarHBondContact O-N 3.33Å; L170-K172 PolarHBondContact O-N 3.47Å; L170-K172 VanDerWaalsContact O-N 3.12Å
171L92.8Very high85.9Confident1 Ų174.3 Ų74.31%0.00539%0.394CS..  trans-73.5106.7-176.1-165.267.5000110.1H100 L101 C104 L168 S169 V187 R215 L263H100-L171 WeakPolarHBondContact NE2-CD1 3.39Å; H100-L171 WeakPolarHBondContact O-CD1 3.34Å; L101-L171 HydrophobicContact CD2-CD1 4.31Å; L101-L171 HydrophobicContact CD2-CD2 3.85Å; C104-L171 HydrophobicContact CB-CB 4Å; C104-L171 HydrophobicContact CB-CD1 4.16Å; L168-L171 VanDerWaalsContact O-CB 3.26Å; L168-L171 WeakPolarHBondContact O-CB 3.47Å; L168-L171 PolarHBondContact O-N 3.33Å; S169-L171 VanDerWaalsContact C-N 3.3Å; S169-L171 PolarHBondContact O-N 3.49Å; L171-V187 HydrophobicContact CD2-CG1 3.6Å; L171-V187 HydrophobicContact CG-CG1 4.01Å; L171-R215 HydrophobicContact CB-CG 4.19Å; L171-R215 HydrophobicContact CD2-CB 4.24Å; L171-R215 HydrophobicContact CD2-CG 4.13Å; L171-R215 PolarHBondContact O-NE 2.94Å; L171-L263 HydrophobicContact CD2-CD1 3.97Å
172K92.7Very high87.5Confident163 Ų16370.2 Ų70.271%0.70937%0.374SS*.  trans-70.8145.7178.4-64-176.5-179.3-179.70110.8H100 L170H100-K172 PolarHBondContact CE1-O 2.91Å; H100-K172 PolarHBondContact NE2-O 3.43Å; H100-K172 VanDerWaalsContact NE2-O 3.14Å; L170-K172 PolarHBondContact O-N 3.47Å; L170-K172 VanDerWaalsContact O-N 3.12Å
173P93.6Very high89Confident92 Ų9265.4 Ų65.460%0.59735%0.354SS*.  trans-59141.8171.8-23.934.5000112.4V187P173-V187 WeakPolarHBondContact CA-O 3.33Å; P173-V187 WeakPolarHBondContact CB-O 3.33Å
174I95.7Very high90.1Very high56 Ų5661.1 Ų61.129%0.28733%0.326SS..EExtended strand (participates in β ladder)trans-146.1147.8174.9-167.3170.4000110.1H100 I176 E186 V187H100-I174 WeakPolarHBondContact NE2-CG2 2.99Å; I174-I176 HydrophobicContact CD1-CG1 4.36Å; I174-I176 HydrophobicContact CG1-CG1 4.36Å; I174-E186 CarbonylContact O-C 3.36Å; I174-E186 WeakPolarHBondContact O-CA 3.33Å; I174-V187 HydrophobicContact CG2-CB 3.87Å; I174-V187 HydrophobicContact CG2-CG2 3.54Å; I174-V187 PolarHBondContact N-O 2.91Å; I174-V187 VanDerWaalsContact N-O 3.14Å; I174-V187 PolarHBondContact O-N 2.96Å
175R94.8Very high90.9Very high164 Ų16457.4 Ų57.462%0.61931%0.309SS*.EExtended strand (participates in β ladder)trans-118.7123.2169-169.9179.1-177-159.92.5109.5
176I94.4Very high91.2Very high16 Ų1657.8 Ų57.88%0.08231%0.306CS..EExtended strand (participates in β ladder)trans-109.5129.1178.2-55.2171.3000107.4I93 T96 L97 I174 T184 L185I93-I176 HydrophobicContact CB-CG2 4.03Å; I93-I176 HydrophobicContact CD1-CG2 4.38Å; I93-I176 HydrophobicContact CG2-CG2 3.9Å; T96-I176 HydrophobicContact CG2-CD1 3.82Å; T96-I176 HydrophobicContact CG2-CG1 4.19Å; T96-I176 HydrophobicContact CG2-CG2 4.41Å; L97-I176 HydrophobicContact CB-CD1 4.5Å; I174-I176 HydrophobicContact CD1-CG1 4.36Å; I174-I176 HydrophobicContact CG1-CG1 4.36Å; I176-T184 WeakPolarHBondContact O-CA 3.39Å; I176-L185 PolarHBondContact N-O 2.89Å; I176-L185 PolarHBondContact O-N 3.47Å
177V92.8Very high91.5Very high69 Ų6956.6 Ų56.642%0.41830%0.3SS..EExtended strand (participates in β ladder)trans-116.3129.6178.2-1770000108.8E179 T184 L222V177-E179 HydrophobicContact CG1-CG 4.21Å; V177-T184 HydrophobicContact CG1-CG2 4.31Å; V177-T184 HydrophobicContact CG2-CG2 4.18Å; V177-L222 HydrophobicContact CG1-CD1 4.3Å; V177-L222 HydrophobicContact CG1-CD2 4.46Å
178C89.8Confident91.6Very high13 Ų1352.7 Ų52.79%0.08828%0.283CS..EExtended strand (participates in β ladder)trans-112.594170.4-163.90000109P90 S92 I93 A180 T181 G182 C183P90-C178 HydrophobicContact CG-CB 4.19Å; S92-C178 PolarHBondContact OG-SG 3.13Å; I93-C178 HydrophobicContact CG2-CB 3.65Å; C178-A180 VanDerWaalsContact C-N 3.32Å; C178-A180 PolarHBondContact O-N 2.85Å; C178-T181 PolarHBondContact O-N 2.82Å; C178-G182 WeakPolarHBondContact O-CA 3.42Å; C178-G182 PolarHBondContact O-N 2.87Å; C178-C183 HydrophobicContact CB-CB 4.47Å; C178-C183 PolarHBondContact N-O 3.02Å; C178-C183 PolarHBondContact O-N 2.91Å
179E86Confident91.5Very high165 Ų16553.3 Ų53.377%0.77129%0.29SS*.G310 helixtrans-61.2-41.8179.9-61.2-177.6165.500111.6V177 T181 G182V177-E179 HydrophobicContact CG1-CG 4.21Å; E179-T181 PolarHBondContact O-N 2.92Å; E179-T181 VanDerWaalsContact O-N 3.16Å; E179-G182 PolarHBondContact O-N 2.93Å
180A83.3Confident91.2Very high73 Ų7360.7 Ų60.760%0.60331%0.31SS*.G310 helixtrans-56.5-33.7-178.800000113.6V58 C178V58-A180 WeakPolarHBondContact CG1-O 3.38Å; C178-A180 VanDerWaalsContact C-N 3.32Å; C178-A180 PolarHBondContact O-N 2.85Å
181T83.5Confident90.8Very high24 Ų2461.2 Ų61.215%0.14731%0.314CS..G310 helixtrans-107.73178.569.90000113.1V58 P90 C178 E179 C183V58-T181 HydrophobicContact CG2-CG2 4.28Å; P90-T181 HydrophobicContact CB-CG2 3.8Å; P90-T181 HydrophobicContact CG-CG2 4.24Å; P90-T181 WeakPolarHBondContact CG-OG1 3.33Å; C178-T181 PolarHBondContact O-N 2.82Å; E179-T181 PolarHBondContact O-N 2.92Å; E179-T181 VanDerWaalsContact O-N 3.16Å; T181-C183 VanDerWaalsContact C-N 3.34Å; T181-C183 PolarHBondContact O-N 2.84Å; T181-C183 WeakPolarHBondContact OG1-CB 3.3Å
182G85.7Confident90.2Very high26 Ų2662.4 Ų62.427%0.26832%0.321SS..THydrogen-bonded Turntrans52.546.6-171.900000113.3C178 E179 P221 L222C178-G182 WeakPolarHBondContact O-CA 3.42Å; C178-G182 PolarHBondContact O-N 2.87Å; E179-G182 PolarHBondContact O-N 2.93Å; G182-P221 WeakPolarHBondContact O-CA 3.35Å; G182-L222 WeakPolarHBondContact O-CB 3.13Å; G182-L222 PolarHBondContact O-N 2.97Å
183C89.5Confident89.3Confident3 Ų358.3 Ų58.32%0.0231%0.307CS..EExtended strand (participates in β ladder)trans-122.8144.3-178.1-172.90000111.7W74 P90 C178 T181W74-C183 HydrophobicContact CH2-CB 3.85Å; W74-C183 HydrophobicContact CZ3-CB 4.35Å; P90-C183 HydrophobicContact CG-CB 4.26Å; C178-C183 HydrophobicContact CB-CB 4.47Å; C178-C183 PolarHBondContact N-O 3.02Å; C178-C183 PolarHBondContact O-N 2.91Å; T181-C183 VanDerWaalsContact C-N 3.34Å; T181-C183 PolarHBondContact O-N 2.84Å; T181-C183 WeakPolarHBondContact OG1-CB 3.3Å
184T93.3Very high87.6Confident14 Ų1458.1 Ų58.19%0.08631%0.305CS..EExtended strand (participates in β ladder)trans-122.2140.7170.262.40000110I176 V177 S219 A220 L222I176-T184 WeakPolarHBondContact O-CA 3.39Å; V177-T184 HydrophobicContact CG1-CG2 4.31Å; V177-T184 HydrophobicContact CG2-CG2 4.18Å; T184-S219 CarbonylContact O-C 3.43Å; T184-S219 WeakPolarHBondContact O-CA 3.48Å; T184-A220 PolarHBondContact N-O 3.42Å; T184-A220 PolarHBondContact O-N 3.05Å; T184-A220 PolarHBondContact OG1-O 2.9Å; T184-L222 HydrophobicContact CG2-CB 4.18Å; T184-L222 HydrophobicContact CG2-CD1 3.6Å; T184-L222 HydrophobicContact CG2-CG 4.5Å
185L95.1Very high85.5Confident2 Ų262.5 Ų62.51%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-130.2127.9174.1-175.674.3000108.8L89 I93 L97 I176 I218L89-L185 HydrophobicContact CD1-CD2 4.43Å; L89-L185 HydrophobicContact CD2-CD1 4.36Å; L89-L185 HydrophobicContact CD2-CD2 4.44Å; I93-L185 HydrophobicContact CD1-CB 3.6Å; I93-L185 HydrophobicContact CD1-CD2 3.82Å; I93-L185 HydrophobicContact CD1-CG 4.33Å; L97-L185 HydrophobicContact CB-CD2 4.35Å; L97-L185 HydrophobicContact CD1-CD2 3.86Å; L97-L185 HydrophobicContact CD2-CD2 3.82Å; L97-L185 HydrophobicContact CG-CD2 4.22Å; I176-L185 PolarHBondContact N-O 2.89Å; I176-L185 PolarHBondContact O-N 3.47Å; L185-I218 CarbonylContact C-O 3.11Å; L185-I218 WeakPolarHBondContact CA-O 3.38Å
186E94.8Very high82.8Confident76 Ų7663.9 Ų63.936%0.35534%0.335SS..EExtended strand (participates in β ladder)trans-120.7139.1179.4-166.3179.3148.500110.6I174 T188 L217 I218I174-E186 CarbonylContact O-C 3.36Å; I174-E186 WeakPolarHBondContact O-CA 3.33Å; E186-T188 HydrophobicContact CG-CG2 4.29Å; E186-L217 CarbonylContact O-C 3.6Å; E186-L217 WeakPolarHBondContact O-CA 3.47Å; E186-I218 HydrophobicContact CB-CB 4.35Å; E186-I218 PolarHBondContact N-O 2.86Å; E186-I218 PolarHBondContact O-N 3.43Å
187V95.3Very high79.9Confident1 Ų168.8 Ų68.81%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-105.7126.2165.6-173.50000106.9L97 L171 P173 I174 W216 L217L97-V187 HydrophobicContact CD1-CG2 4.43Å; L171-V187 HydrophobicContact CD2-CG1 3.6Å; L171-V187 HydrophobicContact CG-CG1 4.01Å; P173-V187 WeakPolarHBondContact CA-O 3.33Å; P173-V187 WeakPolarHBondContact CB-O 3.33Å; I174-V187 HydrophobicContact CG2-CB 3.87Å; I174-V187 HydrophobicContact CG2-CG2 3.54Å; I174-V187 PolarHBondContact N-O 2.91Å; I174-V187 VanDerWaalsContact N-O 3.14Å; I174-V187 PolarHBondContact O-N 2.96Å; V187-W216 WeakPolarHBondContact CA-O 3.38Å; V187-L217 HydrophobicContact CG2-CD2 3.72Å
188T93.8Very high77Confident12 Ų1270 Ų707%0.07438%0.378CS..EExtended strand (participates in β ladder)trans-142149.6-176.8153.40000112E186 R190 R215 W216 I218E186-T188 HydrophobicContact CG-CG2 4.29Å; T188-R190 PolarHBondContact OG1-N 2.69Å; T188-R190 PolarHBondContact OG1-O 2.86Å; T188-R215 WeakPolarHBondContact O-CA 3.46Å; T188-W216 HydrophobicContact CG2-CB 4.46Å; T188-W216 PolarHBondContact N-O 2.8Å; T188-W216 PolarHBondContact O-N 3.04Å; T188-I218 HydrophobicContact CG2-CD1 3.46Å; T188-I218 VanDerWaalsContact CG2-CD1 3.46Å; T188-I218 HydrophobicContact CG2-CG1 3.94Å
189A90.6Very high74.4Confident22 Ų2275.4 Ų75.418%0.18241%0.411CS..SBendtrans-87.3-19.5170.900000113A210A189-A210 HydrophobicContact CB-CB 4.27Å
190R86.3Confident71.9Confident201 Ų20175.2 Ų75.276%0.75842%0.415SS*.SBendtrans-78130175.6-65.9-177.6178.1-178.3-0.5109.3T188 P192T188-R190 PolarHBondContact OG1-N 2.69Å; T188-R190 PolarHBondContact OG1-O 2.86Å; R190-P192 WeakPolarHBondContact O-CD 3.32Å
191N83.4Confident69.5Low93 Ų9375.9 Ų75.950%0.49742%0.415SS..  trans-61.1122172.3-175.9-12.2000109.4L193N191-L193 PolarHBondContact OD1-N 2.84Å
192P80.1Confident67.1Low25 Ų2584.7 Ų84.716%0.16246%0.455CS..  trans-83.6-12.6-177.533.4-35.7000114.3R190 W216 I218 T260R190-P192 WeakPolarHBondContact O-CD 3.32Å; P192-W216 VanDerWaalsContact CD-CG 3.44Å; P192-W216 HydrophobicContact CG-CB 4.23Å; P192-W216 HydrophobicContact CG-CD2 4.02Å; P192-W216 HydrophobicContact CG-CE3 3.89Å; P192-W216 HydrophobicContact CG-CG 4.17Å; P192-I218 HydrophobicContact CB-CD1 3.55Å; P192-I218 HydrophobicContact CB-CG1 4.23Å; P192-I218 HydrophobicContact CG-CD1 4.03Å; P192-I218 HydrophobicContact CG-CG1 4.2Å; P192-T260 HydrophobicContact CB-CG2 4.06Å; P192-T260 HydrophobicContact CG-CG2 3.67Å
193L74.4Confident64.3Low78 Ų7889.8 Ų89.841%0.40847%0.472SS..SBendtrans-74.6127.3171.2-70.4105.8000108.6N191 K195 W216N191-L193 PolarHBondContact OD1-N 2.84Å; L193-K195 PolarHBondContact O-N 3.41Å; L193-W216 HydrophobicContact CD1-CE3 4.43Å; L193-W216 HydrophobicContact CD1-CH2 3.53Å; L193-W216 HydrophobicContact CD1-CZ2 4.4Å; L193-W216 HydrophobicContact CD1-CZ3 3.54Å
194P56.5Low61.7Low88 Ų8894.6 Ų94.657%0.57150%0.503SS*.PPolyproline II helixtrans-60.3130.1172.326.9-33.2000108.3H196 I241P194-H196 PolarHBondContact O-N 2.72Å; P194-I241 HydrophobicContact CG-CD1 3.95Å
195K52.6Low59Low147 Ų147100.5 Ų100.564%0.63954%0.539SS*.PPolyproline II helixtrans-56.7126.7161.5-70.2-177.1176.2-177.20106.1L193 T197L193-K195 PolarHBondContact O-N 3.41Å; K195-T197 PolarHBondContact O-N 3.48Å
196H37Very low56.2Low193 Ų193107.2 Ų107.289%0.89457%0.57SS**  trans-63.888.1158.7-90.4-83.6000106.7P194 S198P194-H196 PolarHBondContact O-N 2.72Å; H196-S198 PolarHBondContact O-N 3.02Å
197T33.3Very low53.8Low119 Ų119109.9 Ų109.973%0.7359%0.592SS**  trans-61.7106.315946.30000105.3K195 T199K195-T197 PolarHBondContact O-N 3.48Å; T197-T199 PolarHBondContact O-N 3.44Å; T197-T199 VanDerWaalsContact O-N 3.14Å
198S33.7Very low51.8Low94 Ų94114.5 Ų114.566%0.65762%0.62SS**  trans-48.3122.4161.745.50000107.4H196 N200H196-S198 PolarHBondContact O-N 3.02Å; S198-N200 PolarHBondContact O-N 3.02Å
199T35Very low50Low128 Ų128122.7 Ų122.779%0.78566%0.657SS**SBendtrans-47.2132.4167.5440000108.5T197T197-T199 PolarHBondContact O-N 3.44Å; T197-T199 VanDerWaalsContact O-N 3.14Å
200N31.8Very low49Very low161 Ų161123.7 Ų123.786%0.86167%0.666SS**  trans93.764.7-173.4-46-15.3000115.3S198S198-N200 PolarHBondContact O-N 3.02Å
201S33.5Very low48.6Very low87 Ų87117.2 Ų117.261%0.60865%0.646SS**  trans-156.8104.9147.4-179.30000109.4E203S201-E203 PolarHBondContact O-N 2.91Å; S201-E203 VanDerWaalsContact O-N 3.14Å
202E32.9Very low48.5Very low209 Ų209116.6 Ų116.698%0.97765%0.647SS**  trans-77.677.6159.6-72.5-172.9137.900108.4
203E27.3Very low48.7Very low133 Ų133120.2 Ų120.262%0.62167%0.665SS**  trans-104.3143.9158.2-98.4-157.5111.600109.8S201S201-E203 PolarHBondContact O-N 2.91Å; S201-E203 VanDerWaalsContact O-N 3.14Å
204P34.2Very low49.4Very low103 Ų103120.6 Ų120.667%0.66966%0.663SS**  trans-61.8150.7-179.428.9-35.4000109.6Q206P204-Q206 PolarHBondContact O-N 3Å
205T37.1Very low51.2Low139 Ų139117.3 Ų117.385%0.85364%0.64SS**  trans-59.175-176.6-40.30000112.7T207T205-T207 PolarHBondContact O-N 3.18Å
206Q37.2Very low53.2Low143 Ų143110.9 Ų110.967%0.66861%0.611SS**  trans-57.8116.4168.3-74.3-168.619.600106.2P204 V208P204-Q206 PolarHBondContact O-N 3Å; Q206-V208 VanDerWaalsContact C-N 3.29Å; Q206-V208 PolarHBondContact O-N 3.3Å
207T43.7Very low56Low131 Ų131101.9 Ų101.980%0.80457%0.57SS**  trans-58.694.5177.331.60000108T205 Q209T205-T207 PolarHBondContact O-N 3.18Å; T207-Q209 PolarHBondContact O-N 2.7Å
208V53.2Low58.9Low98 Ų9896.9 Ų96.959%0.59454%0.538SS*.  trans-49.4105.1-173.21760000108.5Q206 A210Q206-V208 VanDerWaalsContact C-N 3.29Å; Q206-V208 PolarHBondContact O-N 3.3Å; V208-A210 PolarHBondContact O-N 3.16Å
209Q56.6Low61.8Low185 Ų18592.5 Ų92.586%0.86451%0.508SS*.  trans-64114.7-171.3-160.1172.71200106.7T207 D211T207-Q209 PolarHBondContact O-N 2.7Å; Q209-D211 PolarHBondContact O-N 2.81Å
210A69.5Low64.5Low43 Ų4387.5 Ų87.536%0.35548%0.479SS..  trans-65122.6-175.400000108.4A189 V208 P212A189-A210 HydrophobicContact CB-CB 4.27Å; V208-A210 PolarHBondContact O-N 3.16Å; A210-P212 WeakPolarHBondContact O-CD 3.23Å; A210-P212 VanDerWaalsContact O-N 3.07Å
211D78.5Confident67.1Low64 Ų6482.4 Ų82.434%0.34246%0.455SS..  trans-51.6113.7174.1-178.2-22000108.3Q209 D213 K214Q209-D211 PolarHBondContact O-N 2.81Å; D211-D213 PolarHBondContact O-N 3.04Å; D211-D213 VanDerWaalsContact O-N 3.13Å; D211-D213 PolarHBondContact OD1-N 3.15Å; D211-K214 HydrophobicContact CB-CB 4.16Å; D211-K214 HydrophobicContact CB-CD 4.13Å; D211-K214 HydrophobicContact CB-CG 4.24Å; D211-K214 PolarHBondContact O-N 3.08Å; D211-K214 VanDerWaalsContact O-N 3.13Å; D211-K214 WeakPolarHBondContact OD2-CD 3.17Å; D211-K214 WeakPolarHBondContact OD2-CE 3.39Å; D211-K214 IonicContact OD2-NZ 3.47Å; D211-K214 PolarHBondContact OD2-NZ 3.17Å
212P80.1Confident69.5Low80 Ų8081 Ų8152%0.51944%0.441SS..THydrogen-bonded Turntrans-61.9-28.4-167.524.1-34000111.7S169 A210 R215S169-P212 WeakPolarHBondContact CA-O 3.39Å; S169-P212 WeakPolarHBondContact CB-O 3.38Å; A210-P212 WeakPolarHBondContact O-CD 3.23Å; A210-P212 VanDerWaalsContact O-N 3.07Å; P212-R215 PolarHBondContact O-NH1 3.4Å; P212-R215 PolarHBondContact O-NH2 3.16Å
213D84Confident71.2Confident102 Ų10280 Ų8055%0.54544%0.436SS..THydrogen-bonded Turntrans-90.3-6.7-175.7-65.5-31000113.5L168 D211L168-D213 WeakPolarHBondContact CB-O 3.1Å; L168-D213 WeakPolarHBondContact CD1-O 3.47Å; D211-D213 PolarHBondContact O-N 3.04Å; D211-D213 VanDerWaalsContact O-N 3.13Å; D211-D213 PolarHBondContact OD1-N 3.15Å
214K89.6Confident72.4Confident85 Ų8579.4 Ų79.437%0.3744%0.441SS..  trans-98.8136.9178.2-70.5-178-177.9140.70112.8D211 E262D211-K214 HydrophobicContact CB-CB 4.16Å; D211-K214 HydrophobicContact CB-CD 4.13Å; D211-K214 HydrophobicContact CB-CG 4.24Å; D211-K214 PolarHBondContact O-N 3.08Å; D211-K214 VanDerWaalsContact O-N 3.13Å; D211-K214 WeakPolarHBondContact OD2-CD 3.17Å; D211-K214 WeakPolarHBondContact OD2-CE 3.39Å; D211-K214 IonicContact OD2-NZ 3.47Å; D211-K214 PolarHBondContact OD2-NZ 3.17Å; K214-E262 VanDerWaalsContact CD-OE1 3.28Å; K214-E262 WeakPolarHBondContact CD-OE1 3.39Å; K214-E262 WeakPolarHBondContact CE-OE1 3.4Å
215R93.6Very high72.6Confident20 Ų2085.3 Ų85.38%0.07545%0.45CS..EExtended strand (participates in β ladder)trans-136.2146.8173.8-66.6-67.4-179.7-78.9-3.3109.3L168 S169 L171 T188 P212 L263L168-R215 HydrophobicContact CB-CG 3.96Å; L168-R215 WeakPolarHBondContact O-CG 3.32Å; L168-R215 PolarHBondContact O-NE 3.14Å; L168-R215 VanDerWaalsContact O-NE 3.14Å; L168-R215 PolarHBondContact O-NH2 3.07Å; S169-R215 PolarHBondContact O-NH2 3.3Å; L171-R215 HydrophobicContact CB-CG 4.19Å; L171-R215 HydrophobicContact CD2-CB 4.24Å; L171-R215 HydrophobicContact CD2-CG 4.13Å; L171-R215 PolarHBondContact O-NE 2.94Å; T188-R215 WeakPolarHBondContact O-CA 3.46Å; P212-R215 PolarHBondContact O-NH1 3.4Å; P212-R215 PolarHBondContact O-NH2 3.16Å; R215-L263 HydrophobicContact CB-CB 4.32Å; R215-L263 HydrophobicContact CB-CD1 4.07Å; R215-L263 WeakPolarHBondContact O-CB 3.46Å; R215-L263 PolarHBondContact O-N 3.28Å
216W94.6Very high72.7Confident12 Ų1287.1 Ų87.15%0.04545%0.446CS..EExtended strand (participates in β ladder)trans-122.8136.8-177.9-66.881.5000109.8V187 T188 P192 L193 L261 E262V187-W216 WeakPolarHBondContact CA-O 3.38Å; T188-W216 HydrophobicContact CG2-CB 4.46Å; T188-W216 PolarHBondContact N-O 2.8Å; T188-W216 PolarHBondContact O-N 3.04Å; P192-W216 VanDerWaalsContact CD-CG 3.44Å; P192-W216 HydrophobicContact CG-CB 4.23Å; P192-W216 HydrophobicContact CG-CD2 4.02Å; P192-W216 HydrophobicContact CG-CE3 3.89Å; P192-W216 HydrophobicContact CG-CG 4.17Å; L193-W216 HydrophobicContact CD1-CE3 4.43Å; L193-W216 HydrophobicContact CD1-CH2 3.53Å; L193-W216 HydrophobicContact CD1-CZ2 4.4Å; L193-W216 HydrophobicContact CD1-CZ3 3.54Å; W216-L261 CarbonylContact C-O 3.58Å; W216-L261 WeakPolarHBondContact CA-O 3.31Å; W216-E262 HydrophobicContact CD2-CB 4.26Å; W216-E262 HydrophobicContact CE3-CB 4.03Å; W216-E262 HydrophobicContact CH2-CB 3.81Å; W216-E262 HydrophobicContact CH2-CG 4.3Å; W216-E262 HydrophobicContact CZ2-CB 4.03Å; W216-E262 HydrophobicContact CZ2-CG 4.03Å; W216-E262 HydrophobicContact CZ3-CB 3.81Å
217L95.9Very high72.3Confident3 Ų387.6 Ų87.62%0.01645%0.453CS..EExtended strand (participates in β ladder)trans-91.1137.4160.2-68.8176.8000109.1V87 L97 E186 V187 T260 L261 L263V87-L217 HydrophobicContact CG1-CB 3.9Å; V87-L217 WeakPolarHBondContact CG1-O 3.43Å; V87-L217 HydrophobicContact CG2-CB 4.15Å; V87-L217 HydrophobicContact CG2-CD1 4.12Å; L97-L217 HydrophobicContact CD1-CD2 4Å; E186-L217 CarbonylContact O-C 3.6Å; E186-L217 WeakPolarHBondContact O-CA 3.47Å; V187-L217 HydrophobicContact CG2-CD2 3.72Å; L217-T260 CarbonylContact O-C 3.6Å; L217-T260 WeakPolarHBondContact O-CA 3.32Å; L217-L261 HydrophobicContact CB-CB 4.45Å; L217-L261 PolarHBondContact N-O 2.85Å; L217-L261 PolarHBondContact O-N 3.04Å; L217-L263 HydrophobicContact CD1-CD2 3.81Å; L217-L263 HydrophobicContact CD1-CG 4.45Å; L217-L263 HydrophobicContact CD2-CD1 4.46Å; L217-L263 HydrophobicContact CG-CD1 4.11Å; L217-L263 HydrophobicContact CG-CD2 4.02Å; L217-L263 HydrophobicContact CG-CG 4.09Å
218I94.7Very high71.8Confident15 Ų1587.9 Ų87.98%0.07745%0.45CS..EExtended strand (participates in β ladder)trans-128.8117.7173.3-47.7178.6000107.9L185 E186 T188 P192 R258 G259 T260L185-I218 CarbonylContact C-O 3.11Å; L185-I218 WeakPolarHBondContact CA-O 3.38Å; E186-I218 HydrophobicContact CB-CB 4.35Å; E186-I218 PolarHBondContact N-O 2.86Å; E186-I218 PolarHBondContact O-N 3.43Å; T188-I218 HydrophobicContact CG2-CD1 3.46Å; T188-I218 VanDerWaalsContact CG2-CD1 3.46Å; T188-I218 HydrophobicContact CG2-CG1 3.94Å; P192-I218 HydrophobicContact CB-CD1 3.55Å; P192-I218 HydrophobicContact CB-CG1 4.23Å; P192-I218 HydrophobicContact CG-CD1 4.03Å; P192-I218 HydrophobicContact CG-CG1 4.2Å; I218-R258 HydrophobicContact CG2-CG 4.26Å; I218-G259 CarbonylContact C-O 3.56Å; I218-G259 WeakPolarHBondContact CA-O 3.49Å; I218-T260 HydrophobicContact CG1-CG2 4.33Å; I218-T260 HydrophobicContact CG2-CG2 4.23Å
219S94.2Very high70.7Confident2 Ų288.2 Ų88.21%0.01446%0.456CS..EExtended strand (participates in β ladder)trans-102.7135.5169.758.60000109.6V87 S88 T184 R258 G259V87-S219 WeakPolarHBondContact CA-OG 3.37Å; S88-S219 PolarHBondContact N-OG 3.32Å; S88-S219 WeakPolarHBondContact O-CB 3.38Å; S88-S219 PolarHBondContact O-OG 2.76Å; T184-S219 CarbonylContact O-C 3.43Å; T184-S219 WeakPolarHBondContact O-CA 3.48Å; S219-R258 CarbonylContact O-C 3.53Å; S219-R258 VanDerWaalsContact O-CA 3.3Å; S219-R258 WeakPolarHBondContact O-CA 3.18Å; S219-G259 PolarHBondContact N-O 2.92Å; S219-G259 PolarHBondContact O-N 2.77Å
220A91.5Very high69.4Low22 Ų2284 Ų8418%0.18245%0.447CS..EExtended strand (participates in β ladder)trans-143.9145.6172.400000111T184 L222 R258T184-A220 PolarHBondContact N-O 3.42Å; T184-A220 PolarHBondContact O-N 3.05Å; T184-A220 PolarHBondContact OG1-O 2.9Å; A220-L222 PolarHBondContact O-N 3.44Å; A220-R258 HydrophobicContact CB-CB 4.39Å; A220-R258 HydrophobicContact CB-CG 4.25Å
221P87.8Confident67.4Low54 Ų5490 Ų9035%0.35147%0.474SS..EExtended strand (participates in β ladder)trans-57.4139.2165.426.7-33.8000109.3G182 E223G182-P221 WeakPolarHBondContact O-CA 3.35Å; P221-E223 PolarHBondContact O-N 2.83Å
222L82.5Confident65.1Low59 Ų5990.3 Ų90.331%0.30949%0.491SS..  trans-64.2120.8174.4-178.767.4000107.8V177 G182 T184 A220 V224V177-L222 HydrophobicContact CG1-CD1 4.3Å; V177-L222 HydrophobicContact CG1-CD2 4.46Å; G182-L222 WeakPolarHBondContact O-CB 3.13Å; G182-L222 PolarHBondContact O-N 2.97Å; T184-L222 HydrophobicContact CG2-CB 4.18Å; T184-L222 HydrophobicContact CG2-CD1 3.6Å; T184-L222 HydrophobicContact CG2-CG 4.5Å; A220-L222 PolarHBondContact O-N 3.44Å; L222-V224 VanDerWaalsContact C-N 3.32Å; L222-V224 PolarHBondContact O-N 3.22Å
223E70Confident62.7Low188 Ų18896 Ų9688%0.87951%0.511SS*.  trans-6296.9172.2-72.1-176.4172.900109.2P221 R225P221-E223 PolarHBondContact O-N 2.83Å; E223-R225 PolarHBondContact O-N 3.17Å
224V52.4Low60.1Low120 Ų12099.6 Ų99.673%0.72753%0.525SS*.  trans-61.7106.8166.2-179.80000105.6L222 K226L222-V224 VanDerWaalsContact C-N 3.32Å; L222-V224 PolarHBondContact O-N 3.22Å; V224-K226 VanDerWaalsContact C-N 3.33Å; V224-K226 PolarHBondContact O-N 2.78Å
225R38.3Very low57.1Low227 Ų227101.2 Ų101.286%0.85754%0.541SS*.  trans-49.3103.1166.8-96.3-176.4170.1148.8-3.4107.2E223 N227E223-R225 PolarHBondContact O-N 3.17Å; R225-N227 PolarHBondContact O-N 2.76Å
226K39.4Very low54.3Low176 Ų176108.3 Ų108.377%0.76558%0.58SS**  trans-61.2113.1160.5-76.9-177.2176.8176.10104.8V224 N228V224-K226 VanDerWaalsContact C-N 3.33Å; V224-K226 PolarHBondContact O-N 2.78Å; K226-N228 PolarHBondContact O-N 2.72Å
227N27.3Very low51.2Low153 Ų153114.1 Ų114.182%0.81861%0.612SS**  trans-67.374.2164.8-75.5-9.7000107.6R225 S229R225-N227 PolarHBondContact O-N 2.76Å; N227-S229 PolarHBondContact O-N 3.13Å
228N33.8Very low48.1Very low138 Ų138120.3 Ų120.374%0.73866%0.656SS**  trans-69.3100.1165.2-78.26.5000106K226 S230K226-N228 PolarHBondContact O-N 2.72Å; N228-S230 PolarHBondContact O-N 2.99Å; N228-S230 VanDerWaalsContact O-N 3.15Å
229S30.1Very low45Very low105 Ų105124.7 Ų124.773%0.73469%0.688SS**  trans-55116.6162.451.10000108.9N227N227-S229 PolarHBondContact O-N 3.13Å
230S29.3Very low42Very low97 Ų97128.4 Ų128.468%0.67873%0.726SS**SBendtrans33.8128.7151.458.90000119.7N228N228-S230 PolarHBondContact O-N 2.99Å; N228-S230 VanDerWaalsContact O-N 3.15Å
231N27.7Very low39.2Very low169 Ų169133.6 Ų133.690%0.90475%0.749SS**  trans88.3101.5161.8-53-5000115.3
232G30.8Very low36.6Very low69 Ų69134.2 Ų134.271%0.71177%0.765SS**  trans162.276.1179.900000109.2Q234G232-Q234 PolarHBondContact O-N 2.93Å; G232-Q234 VanDerWaalsContact O-N 3.13Å
233E28.2Very low34Very low201 Ų201135.8 Ų135.894%0.93978%0.782SS**  trans-56.8111.4176.1-171.2169.4-150.100109.7
234Q29.4Very low32.3Very low177 Ų177132.3 Ų132.383%0.82777%0.773SS**  trans-134.8117171.4-72.5-168.81.500109G232 L236G232-Q234 PolarHBondContact O-N 2.93Å; G232-Q234 VanDerWaalsContact O-N 3.13Å; Q234-L236 PolarHBondContact O-N 2.88Å
235T27.5Very low31.4Very low118 Ų118132.3 Ų132.372%0.72477%0.774SS**  trans-61.3125.3172.140.20000109.9D237T235-D237 VanDerWaalsContact C-N 3.29Å; T235-D237 PolarHBondContact O-N 2.98Å
236L35.2Very low31.2Very low170 Ų170128.8 Ų128.889%0.8977%0.772SS**  trans-80.875.4176.8-84.6162.2000110.4Q234Q234-L236 PolarHBondContact O-N 2.88Å
237D29.8Very low30.9Very low134 Ų134124.8 Ų124.872%0.71778%0.781SS**  trans-70.9131169.4-74.7-39.3000110.9T235 S239T235-D237 VanDerWaalsContact C-N 3.29Å; T235-D237 PolarHBondContact O-N 2.98Å; D237-S239 PolarHBondContact O-N 3.26Å
238S29.8Very low31.2Very low133 Ų133121.7 Ų121.793%0.9377%0.771SS**SBendtrans-80.877.4-171.5-69.50000112.7
239S29.3Very low31.7Very low107 Ų107119.3 Ų119.375%0.74878%0.779SS**  trans-148.252.6174.154.60000113.8D237D237-S239 PolarHBondContact O-N 3.26Å
240G31.5Very low32.6Very low79 Ų79124.7 Ų124.781%0.81478%0.783SS**  trans-94.429.3-178.100000116.9
241I33.4Very low33.7Very low131 Ų131131.1 Ų131.167%0.67279%0.793SS**SBendtrans-98.297.3174.5-61.7176.7000109.3P194P194-I241 HydrophobicContact CG-CD1 3.95Å
242G31.9Very low35.4Very low67 Ų67128 Ų12869%0.69177%0.773SS**SBendtrans102156171.600000115.2
243S28Very low37.3Very low93 Ų93129 Ų12965%0.6576%0.757SS**  trans72.364172.7-157.50000118.2T245S243-T245 PolarHBondContact O-N 3.46Å; S243-T245 VanDerWaalsContact OG-CG2 3.26Å; S243-T245 WeakPolarHBondContact OG-CG2 3.12Å
244T36Very low39.5Very low114 Ų114120.9 Ų120.970%0.69972%0.723SS**  trans-74.872.215052.90000110.5N246T244-N246 VanDerWaalsContact C-N 3.25Å; T244-N246 PolarHBondContact O-N 2.86Å
245T32.4Very low41.9Very low121 Ų121113.9 Ų113.974%0.74269%0.689SS**  trans-74.674.2173.539.20000111.6S243S243-T245 PolarHBondContact O-N 3.46Å; S243-T245 VanDerWaalsContact OG-CG2 3.26Å; S243-T245 WeakPolarHBondContact OG-CG2 3.12Å
246N35.2Very low44.5Very low153 Ų153112.4 Ų112.482%0.81867%0.674SS**  trans-104.7122159.7-84.1-33.3000108.9T244 S248T244-N246 VanDerWaalsContact C-N 3.25Å; T244-N246 PolarHBondContact O-N 2.86Å; N246-S248 PolarHBondContact O-N 2.85Å; N246-S248 VanDerWaalsContact O-N 3.1Å
247G32.1Very low46.8Very low92 Ų92106 Ų10695%0.94864%0.642SS**SBendtrans-67.2104.9-161.700000115.7
248S34Very low49.6Very low88 Ų88106.5 Ų106.562%0.61563%0.634SS**  trans-169.3137.9145.1-169.30000108.2N246 R250N246-S248 PolarHBondContact O-N 2.85Å; N246-S248 VanDerWaalsContact O-N 3.1Å; S248-R250 PolarHBondContact O-N 2.89Å
249G43.5Very low52.5Low88 Ų88100.2 Ų100.291%0.90759%0.59SS**  trans-70.938.1179.100000114.9R251G249-R251 PolarHBondContact O-N 3.42Å
250R49.7Very low55.6Low218 Ų21896.4 Ų96.482%0.82356%0.563SS**  trans-69.1127.2171.4-71.2-171.6173.5-138.5-1.6108.3S248 Q252S248-R250 PolarHBondContact O-N 2.89Å; R250-Q252 PolarHBondContact O-N 2.84Å
251R51.4Low58.6Low231 Ų23192.7 Ų92.787%0.87252%0.524SS*.  trans-60.7112.1168.4-65.6-175.9-176.8-161.5-0.2107.5G249 F253G249-R251 PolarHBondContact O-N 3.42Å; R251-F253 PolarHBondContact O-N 2.88Å
252Q64Low61.5Low104 Ų10487.7 Ų87.749%0.48650%0.498SS..  trans-65.9129.9177.1-162169.2-0.100108.2R250 E256 T257R250-Q252 PolarHBondContact O-N 2.84Å; Q252-E256 HydrophobicContact CG-CB 3.83Å; Q252-E256 PolarHBondContact NE2-O 2.9Å; Q252-T257 VanDerWaalsContact CD-CG2 3.44Å; Q252-T257 HydrophobicContact CG-CG2 3.82Å
253F72.1Confident64.5Low89 Ų8984.7 Ų84.739%0.3947%0.466SS..  trans-75.9153.4-178.9-65.6-85.2000110.2R251 W255 E256R251-F253 PolarHBondContact O-N 2.88Å; F253-W255 HydrophobicContact CB-CD2 3.74Å; F253-W255 HydrophobicContact CB-CE3 4.27Å; F253-W255 HydrophobicContact CB-CG 4.24Å; F253-W255 HydrophobicContact CB-CH2 4.03Å; F253-W255 HydrophobicContact CB-CZ2 3.44Å; F253-W255 VanDerWaalsContact CB-CZ2 3.44Å; F253-W255 HydrophobicContact CB-CZ3 4.41Å; F253-W255 AromaticContact CD1-CH2 3.53Å; F253-W255 HydrophobicContact CD1-CH2 3.53Å; F253-W255 AromaticContact CD1-CZ2 3.4Å; F253-W255 HydrophobicContact CD1-CZ2 3.4Å; F253-W255 HydrophobicContact CD1-CZ3 4.39Å; F253-W255 HydrophobicContact CD2-CZ2 4.03Å; F253-W255 HydrophobicContact CE1-CH2 4.2Å; F253-W255 HydrophobicContact CE1-CZ2 4.1Å; F253-W255 AromaticContact CG-CE2 3.71Å; F253-W255 AromaticContact CG-CH2 3.95Å; F253-W255 HydrophobicContact CG-CH2 3.95Å; F253-W255 AromaticContact CG-CZ2 3.35Å; F253-W255 HydrophobicContact CG-CZ2 3.35Å; F253-W255 PolarHBondContact O-N 2.8Å; F253-E256 HydrophobicContact CB-CG 4.13Å; F253-E256 PolarHBondContact N-OE2 3.25Å; F253-E256 WeakPolarHBondContact O-CB 3.41Å; F253-E256 PolarHBondContact O-N 3.47Å
254S73.2Confident67.6Low31 Ų3181.3 Ų81.322%0.21744%0.44CS..THydrogen-bonded Turntrans-66.5-13-173.765.70000113.8T76 F86 S88 T257T76-S254 VanDerWaalsContact CG2-OG 3.23Å; T76-S254 WeakPolarHBondContact CG2-OG 3.49Å; F86-S254 WeakPolarHBondContact CE2-O 3.38Å; S88-S254 WeakPolarHBondContact CB-O 3.36Å; S88-S254 WeakPolarHBondContact OG-CB 3.17Å; S88-S254 PolarHBondContact OG-O 3.33Å; S88-S254 PolarHBondContact OG-OG 2.97Å; S254-T257 PolarHBondContact O-OG1 2.74Å
255W80.4Confident70.2Confident31 Ų3177.8 Ų77.812%0.11742%0.422CS..THydrogen-bonded Turntrans-91.2-10.9172.453.776.8000114.3E54 W74 F253 T257E54-W255 WeakPolarHBondContact O-CH2 3.46Å; W74-W255 HydrophobicContact CB-CE3 4.2Å; W74-W255 HydrophobicContact CD2-CB 3.94Å; W74-W255 HydrophobicContact CD2-CD2 4.44Å; W74-W255 HydrophobicContact CD2-CE3 4.38Å; W74-W255 HydrophobicContact CD2-CG 4.29Å; W74-W255 HydrophobicContact CE3-CB 3.41Å; W74-W255 VanDerWaalsContact CE3-CB 3.41Å; W74-W255 HydrophobicContact CE3-CG 4.24Å; W74-W255 HydrophobicContact CG-CE3 4.21Å; W74-W255 HydrophobicContact CH2-CB 3.61Å; W74-W255 HydrophobicContact CH2-CG 4.37Å; W74-W255 HydrophobicContact CZ2-CB 4.12Å; W74-W255 HydrophobicContact CZ2-CG 4.44Å; W74-W255 HydrophobicContact CZ3-CB 3.24Å; W74-W255 HydrophobicContact CZ3-CG 4.3Å; F253-W255 HydrophobicContact CB-CD2 3.74Å; F253-W255 HydrophobicContact CB-CE3 4.27Å; F253-W255 HydrophobicContact CB-CG 4.24Å; F253-W255 HydrophobicContact CB-CH2 4.03Å; F253-W255 HydrophobicContact CB-CZ2 3.44Å; F253-W255 VanDerWaalsContact CB-CZ2 3.44Å; F253-W255 HydrophobicContact CB-CZ3 4.41Å; F253-W255 AromaticContact CD1-CH2 3.53Å; F253-W255 HydrophobicContact CD1-CH2 3.53Å; F253-W255 AromaticContact CD1-CZ2 3.4Å; F253-W255 HydrophobicContact CD1-CZ2 3.4Å; F253-W255 HydrophobicContact CD1-CZ3 4.39Å; F253-W255 HydrophobicContact CD2-CZ2 4.03Å; F253-W255 HydrophobicContact CE1-CH2 4.2Å; F253-W255 HydrophobicContact CE1-CZ2 4.1Å; F253-W255 AromaticContact CG-CE2 3.71Å; F253-W255 AromaticContact CG-CH2 3.95Å; F253-W255 HydrophobicContact CG-CH2 3.95Å; F253-W255 AromaticContact CG-CZ2 3.35Å; F253-W255 HydrophobicContact CG-CZ2 3.35Å; F253-W255 PolarHBondContact O-N 2.8Å; W255-T257 VanDerWaalsContact C-N 3.34Å
256E80.9Confident73Confident86 Ų8673.7 Ų73.740%0.40240%0.399SS..SBendtrans-91.90.1177.2-59.9173.6156.900112.2Q252 F253Q252-E256 HydrophobicContact CG-CB 3.83Å; Q252-E256 PolarHBondContact NE2-O 2.9Å; F253-E256 HydrophobicContact CB-CG 4.13Å; F253-E256 PolarHBondContact N-OE2 3.25Å; F253-E256 WeakPolarHBondContact O-CB 3.41Å; F253-E256 PolarHBondContact O-N 3.47Å
257T83.3Confident75.8Confident36 Ų3666.4 Ų66.422%0.22136%0.36CS..SBendtrans-121.1153.1-176.642.50000110.5Q252 S254 W255 G259Q252-T257 VanDerWaalsContact CD-CG2 3.44Å; Q252-T257 HydrophobicContact CG-CG2 3.82Å; S254-T257 PolarHBondContact O-OG1 2.74Å; W255-T257 VanDerWaalsContact C-N 3.34Å; T257-G259 PolarHBondContact O-N 3.44Å
258R90.2Very high78.7Confident144 Ų14462.1 Ų62.154%0.54332%0.315SS..  trans-70.8126.6164.1-177.8176.6178-162.7-2.5108.3I218 S219 A220I218-R258 HydrophobicContact CG2-CG 4.26Å; S219-R258 CarbonylContact O-C 3.53Å; S219-R258 VanDerWaalsContact O-CA 3.3Å; S219-R258 WeakPolarHBondContact O-CA 3.18Å; A220-R258 HydrophobicContact CB-CB 4.39Å; A220-R258 HydrophobicContact CB-CG 4.25Å
259G91.1Very high81.5Confident2 Ų260.6 Ų60.62%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-117.3148.4176.200000111F86 I218 S219 T257F86-G259 CarbonylContact O-C 3.6Å; F86-G259 WeakPolarHBondContact O-CA 3.46Å; I218-G259 CarbonylContact C-O 3.56Å; I218-G259 WeakPolarHBondContact CA-O 3.49Å; S219-G259 PolarHBondContact N-O 2.92Å; S219-G259 PolarHBondContact O-N 2.77Å; T257-G259 PolarHBondContact O-N 3.44Å
260T93.9Very high83.9Confident27 Ų2759.1 Ų59.117%0.16627%0.272CS..EExtended strand (participates in β ladder)trans-133.2138.3176.847.60000109.8D85 F86 P192 L217 I218D85-T260 CarbonylContact C-O 3.47Å; D85-T260 VanDerWaalsContact CA-O 3.24Å; D85-T260 WeakPolarHBondContact CA-O 3.42Å; D85-T260 WeakPolarHBondContact CB-O 3.38Å; F86-T260 PolarHBondContact N-O 3.08Å; F86-T260 PolarHBondContact O-N 3.05Å; P192-T260 HydrophobicContact CB-CG2 4.06Å; P192-T260 HydrophobicContact CG-CG2 3.67Å; L217-T260 CarbonylContact O-C 3.6Å; L217-T260 WeakPolarHBondContact O-CA 3.32Å; I218-T260 HydrophobicContact CG1-CG2 4.33Å; I218-T260 HydrophobicContact CG2-CG2 4.23Å
261L94.9Very high86.1Confident0 Ų048.9 Ų48.90%023%0.234CC..EExtended strand (participates in β ladder)trans-142.7128.1177.7-174.883.9000110.4Y48 V77 D79 V87 W216 L217Y48-L261 HydrophobicContact CD1-CD1 4.19Å; Y48-L261 HydrophobicContact CE1-CD1 3.9Å; Y48-L261 HydrophobicContact CE1-CD2 4.1Å; Y48-L261 HydrophobicContact CE1-CG 4.15Å; V77-L261 HydrophobicContact CB-CD2 4.07Å; V77-L261 HydrophobicContact CG1-CD2 3.39Å; D79-L261 HydrophobicContact CB-CD1 4.12Å; V87-L261 HydrophobicContact CG1-CB 3.91Å; V87-L261 HydrophobicContact CG2-CB 4.08Å; V87-L261 HydrophobicContact CG2-CD2 4.09Å; W216-L261 CarbonylContact C-O 3.58Å; W216-L261 WeakPolarHBondContact CA-O 3.31Å; L217-L261 HydrophobicContact CB-CB 4.45Å; L217-L261 PolarHBondContact N-O 2.85Å; L217-L261 PolarHBondContact O-N 3.04Å
262E94.4Very high88.2Confident26 Ų2638.3 Ų38.312%0.12120%0.195CC..EExtended strand (participates in β ladder)trans-74.1131.4169.3-169.6171.2-16800109.9Y48 K82 K214 W216Y48-E262 PolarHBondContact OH-O 3.15Å; K82-E262 IonicContact NZ-OE2 3.6Å; K82-E262 PolarHBondContact NZ-OE2 2.85Å; K214-E262 VanDerWaalsContact CD-OE1 3.28Å; K214-E262 WeakPolarHBondContact CD-OE1 3.39Å; K214-E262 WeakPolarHBondContact CE-OE1 3.4Å; W216-E262 HydrophobicContact CD2-CB 4.26Å; W216-E262 HydrophobicContact CE3-CB 4.03Å; W216-E262 HydrophobicContact CH2-CB 3.81Å; W216-E262 HydrophobicContact CH2-CG 4.3Å; W216-E262 HydrophobicContact CZ2-CB 4.03Å; W216-E262 HydrophobicContact CZ2-CG 4.03Å; W216-E262 HydrophobicContact CZ3-CB 3.81Å
263L94.6Very high89.6Confident4 Ų438.1 Ų38.12%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-85.8127176.3-73.2176.7000111Y48 L101 L168 L171 R215 L217 M268 L271Y48-L263 VanDerWaalsContact OH-CA 3.29Å; Y48-L263 WeakPolarHBondContact OH-CA 3.34Å; L101-L263 HydrophobicContact CD2-CD1 4.03Å; L168-L263 HydrophobicContact CD1-CB 4.21Å; L168-L263 WeakPolarHBondContact CD1-O 3.47Å; L168-L263 HydrophobicContact CD2-CB 4.35Å; L171-L263 HydrophobicContact CD2-CD1 3.97Å; R215-L263 HydrophobicContact CB-CB 4.32Å; R215-L263 HydrophobicContact CB-CD1 4.07Å; R215-L263 WeakPolarHBondContact O-CB 3.46Å; R215-L263 PolarHBondContact O-N 3.28Å; L217-L263 HydrophobicContact CD1-CD2 3.81Å; L217-L263 HydrophobicContact CD1-CG 4.45Å; L217-L263 HydrophobicContact CD2-CD1 4.46Å; L217-L263 HydrophobicContact CG-CD1 4.11Å; L217-L263 HydrophobicContact CG-CD2 4.02Å; L217-L263 HydrophobicContact CG-CG 4.09Å; L263-M268 HydrophobicContact CD2-SD 4.39Å; L263-L271 HydrophobicContact CD2-CD2 4.08Å
264H92.4Very high90.8Very high23 Ų2334 Ų3411%0.10618%0.182CC..  trans-104120.9175.2-66.9-78.4000111.1E46 Y48 S266 L267 M268E46-H264 HydrophobicContact CB-CB 4.45Å; E46-H264 HydrophobicContact CG-CB 4.48Å; E46-H264 IonicContact OE1-CE1 2.72Å; E46-H264 IonicContact OE1-CG 2.76Å; E46-H264 IonicContact OE1-ND1 3.13Å; E46-H264 PolarHBondContact OE1-ND1 2.92Å; Y48-H264 AromaticContact CE1-CD2 3.89Å; Y48-H264 AromaticContact CZ-CD2 3.82Å; Y48-H264 PolarHBondContact OH-CD2 3.13Å; Y48-H264 PolarHBondContact OH-N 3.47Å; H264-S266 PolarHBondContact O-N 3.05Å; H264-S266 VanDerWaalsContact O-N 3.17Å; H264-L267 HydrophobicContact CB-CB 4.26Å; H264-L267 HydrophobicContact CB-CD1 4.04Å; H264-L267 HydrophobicContact CB-CG 4.03Å; H264-L267 PolarHBondContact O-N 2.78Å; H264-M268 PolarHBondContact O-N 3.17Å
265A91.3Very high91.9Very high40 Ų4032.5 Ų32.533%0.33117%0.172SC..THydrogen-bonded Turntrans-56.3-33.7-179.400000113.1L168 L267 M268L168-A265 HydrophobicContact CD1-CB 4.11Å; L168-A265 HydrophobicContact CG-CB 4.11Å; A265-L267 VanDerWaalsContact C-N 3.29Å; A265-L267 PolarHBondContact O-N 2.9Å; A265-M268 PolarHBondContact O-N 2.98Å
266S90.7Very high92.5Very high35 Ų3532.8 Ų32.825%0.24518%0.181CC..THydrogen-bonded Turntrans-64.8-27.9176.564.80000114.1E46 H264E46-S266 WeakPolarHBondContact OE2-CB 3.28Å; E46-S266 PolarHBondContact OE2-OG 3.47Å; H264-S266 PolarHBondContact O-N 3.05Å; H264-S266 VanDerWaalsContact O-N 3.17Å
267L93Very high93.1Very high0 Ų030.3 Ų30.30%017%0.171CC..THydrogen-bonded Turntrans-95.4-18.2-177-62.4-176.4000112.6I36 E46 Y48 H264 A265 P269 Q270 L271I36-L267 HydrophobicContact CD1-CB 4.3Å; E46-L267 HydrophobicContact CB-CD1 4.12Å; E46-L267 HydrophobicContact CB-CG 4.36Å; Y48-L267 HydrophobicContact CD1-CD1 4.07Å; Y48-L267 HydrophobicContact CD2-CB 4.04Å; Y48-L267 HydrophobicContact CD2-CD1 3.52Å; Y48-L267 HydrophobicContact CD2-CG 4.4Å; Y48-L267 HydrophobicContact CE1-CD1 4.05Å; Y48-L267 HydrophobicContact CE2-CB 3.73Å; Y48-L267 HydrophobicContact CE2-CD1 3.47Å; Y48-L267 VanDerWaalsContact CE2-CD1 3.47Å; Y48-L267 HydrophobicContact CE2-CG 4.25Å; Y48-L267 HydrophobicContact CG-CD1 3.81Å; H264-L267 HydrophobicContact CB-CB 4.26Å; H264-L267 HydrophobicContact CB-CD1 4.04Å; H264-L267 HydrophobicContact CB-CG 4.03Å; H264-L267 PolarHBondContact O-N 2.78Å; A265-L267 VanDerWaalsContact C-N 3.29Å; A265-L267 PolarHBondContact O-N 2.9Å; L267-P269 VanDerWaalsContact C-CD 3.44Å; L267-Q270 PolarHBondContact O-N 3.04Å; L267-L271 PolarHBondContact O-N 3.15Å
268M93.6Very high93.6Very high1 Ų128.6 Ų28.61%0.00516%0.16CC..Hα-helixtrans-47.6-48.1-179.4-72-67.4-66.900114.3L101 F166 L168 L263 H264 A265 Q270 L271 L272L101-M268 HydrophobicContact CB-CE 3.89Å; L101-M268 HydrophobicContact CD2-CE 4.17Å; L101-M268 HydrophobicContact CG-CE 4.41Å; F166-M268 HydrophobicContact CB-CB 4.01Å; F166-M268 HydrophobicContact CB-CG 4.23Å; F166-M268 HydrophobicContact CD1-CB 3.91Å; F166-M268 HydrophobicContact CD1-CE 4.2Å; F166-M268 HydrophobicContact CD1-CG 4.48Å; F166-M268 HydrophobicContact CD2-CB 3.99Å; F166-M268 HydrophobicContact CE1-CB 4.43Å; F166-M268 HydrophobicContact CG-CB 3.66Å; F166-M268 HydrophobicContact CG-CG 4.33Å; L168-M268 HydrophobicContact CD2-CG 4.19Å; L168-M268 HydrophobicContact CD2-SD 4.17Å; L263-M268 HydrophobicContact CD2-SD 4.39Å; H264-M268 PolarHBondContact O-N 3.17Å; A265-M268 PolarHBondContact O-N 2.98Å; M268-Q270 VanDerWaalsContact C-N 3.27Å; M268-Q270 PolarHBondContact O-N 3.07Å; M268-L271 PolarHBondContact O-N 3.05Å; M268-L272 HydrophobicContact CB-CD1 4.41Å; M268-L272 HydrophobicContact CE-CD1 4.21Å; M268-L272 HydrophobicContact CE-CG 4.48Å; M268-L272 VanDerWaalsContact O-CB 3.31Å; M268-L272 WeakPolarHBondContact O-CB 3.44Å; M268-L272 WeakPolarHBondContact O-CD1 3.24Å; M268-L272 WeakPolarHBondContact O-CG 3.43Å; M268-L272 PolarHBondContact O-N 3.1Å
269P93Very high93.8Very high56 Ų5623.1 Ų23.136%0.36414%0.143SC..Hα-helixtrans-59.2-39-179.4-17.726.7000112.7F166 L267 T273F166-P269 HydrophobicContact CD2-CG 3.89Å; F166-P269 HydrophobicContact CE2-CB 4.2Å; F166-P269 HydrophobicContact CE2-CG 3.7Å; L267-P269 VanDerWaalsContact C-CD 3.44Å; P269-T273 WeakPolarHBondContact O-CB 3.49Å; P269-T273 PolarHBondContact O-N 2.71Å; P269-T273 VanDerWaalsContact O-N 3.12Å; P269-T273 PolarHBondContact O-OG1 3.22Å
270Q94.4Very high93.8Very high57 Ų5725.6 Ų25.627%0.26616%0.158SC..Hα-helixtrans-77.1-39.1-177-56.4178.638.200110.8I36 R37 L267 M268 T273 F274I36-Q270 HydrophobicContact CB-CB 4Å; I36-Q270 VanDerWaalsContact CB-OE1 3.27Å; I36-Q270 HydrophobicContact CD1-CB 3.84Å; I36-Q270 HydrophobicContact CG2-CB 3.84Å; R37-Q270 PolarHBondContact O-NE2 3.34Å; L267-Q270 PolarHBondContact O-N 3.04Å; M268-Q270 VanDerWaalsContact C-N 3.27Å; M268-Q270 PolarHBondContact O-N 3.07Å; Q270-T273 PolarHBondContact O-N 3Å; Q270-F274 PolarHBondContact O-N 3.01Å
271L95.7Very high93.7Very high3 Ų325.4 Ų25.42%0.01615%0.154CC..Hα-helixtrans-63.3-45.7173.7177.361.6000111.9I36 Y48 L50 V77 L101 L263 L267 M268 F274 L275I36-L271 HydrophobicContact CD1-CB 4.19Å; Y48-L271 HydrophobicContact CE2-CD2 4.49Å; L50-L271 HydrophobicContact CD2-CD1 3.98Å; V77-L271 HydrophobicContact CG1-CD1 4.38Å; V77-L271 HydrophobicContact CG2-CD1 4.15Å; L101-L271 HydrophobicContact CD1-CD2 4.41Å; L263-L271 HydrophobicContact CD2-CD2 4.08Å; L267-L271 PolarHBondContact O-N 3.15Å; M268-L271 PolarHBondContact O-N 3.05Å; L271-F274 PolarHBondContact O-N 3.31Å; L271-L275 HydrophobicContact CD1-CD1 4.36Å; L271-L275 HydrophobicContact CD1-CG 4.38Å; L271-L275 HydrophobicContact CG-CD1 4.25Å; L271-L275 WeakPolarHBondContact O-CG 3.43Å; L271-L275 PolarHBondContact O-N 3.2Å
272L95.6Very high93.4Very high9 Ų927.5 Ų27.55%0.04716%0.162CC..Hα-helixtrans-62.4-42.1177.2-71.3163000111.7L98 L101 M102 F166 M268 F274 L275 A276L98-L272 HydrophobicContact CD1-CB 4.26Å; L98-L272 HydrophobicContact CD1-CD2 3.72Å; L98-L272 WeakPolarHBondContact CD1-O 3.39Å; L101-L272 HydrophobicContact CB-CD2 3.59Å; L101-L272 HydrophobicContact CD1-CD2 4.49Å; M102-L272 HydrophobicContact CG-CD2 4.07Å; M102-L272 HydrophobicContact SD-CD1 3.77Å; M102-L272 HydrophobicContact SD-CD2 3.97Å; M102-L272 HydrophobicContact SD-CG 4.33Å; F166-L272 HydrophobicContact CD1-CD1 4.1Å; F166-L272 HydrophobicContact CE1-CD1 3.18Å; F166-L272 HydrophobicContact CE2-CD1 4.35Å; F166-L272 HydrophobicContact CZ-CD1 3.34Å; M268-L272 HydrophobicContact CB-CD1 4.41Å; M268-L272 HydrophobicContact CE-CD1 4.21Å; M268-L272 HydrophobicContact CE-CG 4.48Å; M268-L272 VanDerWaalsContact O-CB 3.31Å; M268-L272 WeakPolarHBondContact O-CB 3.44Å; M268-L272 WeakPolarHBondContact O-CD1 3.24Å; M268-L272 WeakPolarHBondContact O-CG 3.43Å; M268-L272 PolarHBondContact O-N 3.1Å; L272-F274 PolarHBondContact O-N 3.41Å; L272-L275 PolarHBondContact O-N 2.87Å; L272-A276 WeakPolarHBondContact O-CB 3.28Å; L272-A276 PolarHBondContact O-N 3.41Å
273T94.3Very high92.9Very high100 Ų10034 Ų3461%0.61319%0.185SC*.Hα-helixtrans-61-44.3175.5-560000111.4P269 Q270 A276 D277P269-T273 WeakPolarHBondContact O-CB 3.49Å; P269-T273 PolarHBondContact O-N 2.71Å; P269-T273 VanDerWaalsContact O-N 3.12Å; P269-T273 PolarHBondContact O-OG1 3.22Å; Q270-T273 PolarHBondContact O-N 3Å; T273-A276 PolarHBondContact O-N 3.35Å; T273-D277 PolarHBondContact O-N 3.38Å
274F95.7Very high92.1Very high2 Ų237.4 Ų37.41%0.00921%0.214CC..Hα-helixtrans-63.8-44175.8172.3-90.8000112.4L32 Q34 L50 V52 V75 Q270 L271 L272 A276 D277 V278L32-F274 HydrophobicContact CD2-CD2 4.11Å; L32-F274 HydrophobicContact CD2-CE2 3.53Å; L32-F274 HydrophobicContact CD2-CZ 4.32Å; L32-F274 HydrophobicContact CG-CE2 4.09Å; Q34-F274 HydrophobicContact CB-CD2 4.36Å; L50-F274 HydrophobicContact CB-CD1 4.06Å; L50-F274 HydrophobicContact CB-CD2 3.87Å; L50-F274 HydrophobicContact CB-CE1 3.87Å; L50-F274 HydrophobicContact CB-CE2 3.64Å; L50-F274 HydrophobicContact CB-CG 4.07Å; L50-F274 HydrophobicContact CB-CZ 3.65Å; L50-F274 HydrophobicContact CD1-CB 3.51Å; L50-F274 HydrophobicContact CD1-CD1 3.79Å; L50-F274 HydrophobicContact CD1-CD2 3.8Å; L50-F274 HydrophobicContact CD1-CE1 4.45Å; L50-F274 HydrophobicContact CD1-CE2 4.44Å; L50-F274 HydrophobicContact CD1-CG 3.42Å; L50-F274 VanDerWaalsContact CD1-CG 3.42Å; L50-F274 HydrophobicContact CG-CD1 4.44Å; L50-F274 HydrophobicContact CG-CG 4.36Å; V52-F274 HydrophobicContact CG2-CE2 4.47Å; V52-F274 HydrophobicContact CG2-CZ 3.86Å; V75-F274 HydrophobicContact CG1-CE1 3.87Å; V75-F274 HydrophobicContact CG2-CE1 4.4Å; Q270-F274 PolarHBondContact O-N 3.01Å; L271-F274 PolarHBondContact O-N 3.31Å; L272-F274 PolarHBondContact O-N 3.41Å; F274-A276 VanDerWaalsContact C-N 3.29Å; F274-A276 PolarHBondContact O-N 2.96Å; F274-D277 PolarHBondContact O-N 2.91Å; F274-V278 HydrophobicContact CD1-CG2 4.26Å; F274-V278 HydrophobicContact CE1-CG2 3.86Å; F274-V278 HydrophobicContact CE2-CG2 4.4Å; F274-V278 HydrophobicContact CZ-CG2 3.94Å; F274-V278 WeakPolarHBondContact O-CG2 3.03Å; F274-V278 PolarHBondContact O-N 3.21Å
275L96Very high91.2Very high1 Ų138.4 Ų38.41%0.00522%0.22CC..Hα-helixtrans-63.1-36.4176-71.3174.4000111.6C94 L97 L98 L101 L271 L272 V278 V279C94-L275 HydrophobicContact CB-CD2 4.38Å; L97-L275 HydrophobicContact CD2-CD1 4.01Å; L97-L275 HydrophobicContact CG-CD1 4.3Å; L98-L275 HydrophobicContact CB-CB 4.36Å; L98-L275 HydrophobicContact CD1-CB 4.08Å; L101-L275 HydrophobicContact CD1-CD1 3.96Å; L271-L275 HydrophobicContact CD1-CD1 4.36Å; L271-L275 HydrophobicContact CD1-CG 4.38Å; L271-L275 HydrophobicContact CG-CD1 4.25Å; L271-L275 WeakPolarHBondContact O-CG 3.43Å; L271-L275 PolarHBondContact O-N 3.2Å; L272-L275 PolarHBondContact O-N 2.87Å; L275-V278 PolarHBondContact O-N 2.8Å; L275-V279 WeakPolarHBondContact O-CB 3.5Å; L275-V279 WeakPolarHBondContact O-CG2 3.5Å; L275-V279 PolarHBondContact O-N 3.01Å
276A94.5Very high90.2Very high37 Ų3743.8 Ų43.831%0.30624%0.243SC..Hα-helixtrans-67.1-39.6175.300000113.3L98 L272 T273 F274 T280L98-A276 HydrophobicContact CD1-CB 4.42Å; L98-A276 HydrophobicContact CD2-CB 3.97Å; L272-A276 WeakPolarHBondContact O-CB 3.28Å; L272-A276 PolarHBondContact O-N 3.41Å; T273-A276 PolarHBondContact O-N 3.35Å; F274-A276 VanDerWaalsContact C-N 3.29Å; F274-A276 PolarHBondContact O-N 2.96Å; A276-T280 WeakPolarHBondContact O-CB 3.5Å; A276-T280 PolarHBondContact O-N 2.92Å; A276-T280 PolarHBondContact O-OG1 3.33Å
277D93.5Very high89.3Confident34 Ų3449.4 Ų49.418%0.18227%0.269CS..Hα-helixtrans-57.5-57.3168.5169.317.6000109.8T273 F274 V279 T280 R281 E334T273-D277 PolarHBondContact O-N 3.38Å; F274-D277 PolarHBondContact O-N 2.91Å; D277-V279 VanDerWaalsContact C-N 3.3Å; D277-V279 PolarHBondContact O-N 2.98Å; D277-T280 CarbonylContact O-C 3.49Å; D277-T280 WeakPolarHBondContact O-CA 3.43Å; D277-T280 WeakPolarHBondContact O-CB 3.29Å; D277-T280 PolarHBondContact O-N 2.84Å; D277-R281 WeakPolarHBondContact O-CB 3.31Å; D277-R281 PolarHBondContact O-N 3.35Å; D277-R281 IonicContact OD1-CZ 2.74Å; D277-R281 IonicContact OD1-NE 3.96Å; D277-R281 PolarHBondContact OD1-NE 3.39Å; D277-R281 IonicContact OD1-NH2 2.69Å; D277-R281 PolarHBondContact OD1-NH2 3.4Å; D277-R281 VanDerWaalsContact OD1-NH2 3.13Å; D277-R281 IonicContact OD2-CZ 3.69Å; D277-R281 IonicContact OD2-NE 4Å; D277-R281 IonicContact OD2-NH2 2.86Å; D277-R281 PolarHBondContact OD2-NH2 2.79Å; D277-E334 WeakPolarHBondContact OD1-CB 3.42Å; D277-E334 WeakPolarHBondContact OD1-CG 3.49Å
278V93.8Very high88.3Confident0 Ų054 Ų540%029%0.293CS..Hα-helixtrans-53.7-45.4-178.9171.30000112.3V52 V75 V91 C94 F274 L275 T280 Y282V52-V278 HydrophobicContact CG2-CG2 3.72Å; V75-V278 HydrophobicContact CG2-CB 4.45Å; V75-V278 HydrophobicContact CG2-CG1 3.69Å; V75-V278 HydrophobicContact CG2-CG2 4.16Å; V91-V278 HydrophobicContact CB-CG1 4.38Å; V91-V278 HydrophobicContact CG1-CG1 3.94Å; V91-V278 HydrophobicContact CG2-CG1 3.66Å; C94-V278 HydrophobicContact CB-CG1 4.45Å; F274-V278 HydrophobicContact CD1-CG2 4.26Å; F274-V278 HydrophobicContact CE1-CG2 3.86Å; F274-V278 HydrophobicContact CE2-CG2 4.4Å; F274-V278 HydrophobicContact CZ-CG2 3.94Å; F274-V278 WeakPolarHBondContact O-CG2 3.03Å; F274-V278 PolarHBondContact O-N 3.21Å; L275-V278 PolarHBondContact O-N 2.8Å; V278-T280 VanDerWaalsContact C-N 3.31Å; V278-T280 PolarHBondContact O-N 3.4Å; V278-Y282 HydrophobicContact CG1-CD2 4.12Å; V278-Y282 WeakPolarHBondContact O-CD2 3.39Å; V278-Y282 PolarHBondContact O-N 3.43Å; V278-Y282 VanDerWaalsContact O-N 3.14Å
279V93Very high87.1Confident28 Ų2858.2 Ų58.217%0.1732%0.321CS..Hα-helixtrans-62-38177.1167.60000111.8C94 N95 L98 L275 D277 R283C94-V279 VanDerWaalsContact C-CG2 3.5Å; C94-V279 HydrophobicContact CB-CG2 3.61Å; N95-V279 HydrophobicContact CB-CG1 3.96Å; N95-V279 HydrophobicContact CB-CG2 3.96Å; N95-V279 VanDerWaalsContact N-CG2 3.35Å; L98-V279 HydrophobicContact CD2-CG2 4.31Å; L275-V279 WeakPolarHBondContact O-CB 3.5Å; L275-V279 WeakPolarHBondContact O-CG2 3.5Å; L275-V279 PolarHBondContact O-N 3.01Å; D277-V279 VanDerWaalsContact C-N 3.3Å; D277-V279 PolarHBondContact O-N 2.98Å; V279-R283 WeakPolarHBondContact O-CA 3.47Å; V279-R283 VanDerWaalsContact O-CB 3.28Å; V279-R283 WeakPolarHBondContact O-CB 3.36Å; V279-R283 PolarHBondContact O-N 3.37Å; V279-R283 VanDerWaalsContact O-N 3.14Å
280T91Very high86Confident55 Ų5565.6 Ų65.634%0.33735%0.347SS..Hα-helixtrans-75.1-48.1-179.8-56.60000111.4A276 D277 V278 Y282 R283 E334A276-T280 WeakPolarHBondContact O-CB 3.5Å; A276-T280 PolarHBondContact O-N 2.92Å; A276-T280 PolarHBondContact O-OG1 3.33Å; D277-T280 CarbonylContact O-C 3.49Å; D277-T280 WeakPolarHBondContact O-CA 3.43Å; D277-T280 WeakPolarHBondContact O-CB 3.29Å; D277-T280 PolarHBondContact O-N 2.84Å; V278-T280 VanDerWaalsContact C-N 3.31Å; V278-T280 PolarHBondContact O-N 3.4Å; T280-Y282 VanDerWaalsContact C-N 3.31Å; T280-Y282 PolarHBondContact O-N 3.26Å; T280-R283 WeakPolarHBondContact O-CB 3.28Å; T280-R283 PolarHBondContact O-N 3.22Å; T280-E334 HydrophobicContact CG2-CB 4.33Å
281R91.7Very high84.7Confident23 Ų2366.6 Ų66.69%0.08736%0.357CS..Hα-helixtrans-56.2-38.9179.6178.8-177.4-61.7-135-4.1113.4D277 W312 G313 K314 E334D277-R281 WeakPolarHBondContact O-CB 3.31Å; D277-R281 PolarHBondContact O-N 3.35Å; D277-R281 IonicContact OD1-CZ 2.74Å; D277-R281 IonicContact OD1-NE 3.96Å; D277-R281 PolarHBondContact OD1-NE 3.39Å; D277-R281 IonicContact OD1-NH2 2.69Å; D277-R281 PolarHBondContact OD1-NH2 3.4Å; D277-R281 VanDerWaalsContact OD1-NH2 3.13Å; D277-R281 IonicContact OD2-CZ 3.69Å; D277-R281 IonicContact OD2-NE 4Å; D277-R281 IonicContact OD2-NH2 2.86Å; D277-R281 PolarHBondContact OD2-NH2 2.79Å; R281-W312 WeakPolarHBondContact CD-O 3.2Å; R281-W312 WeakPolarHBondContact CG-O 3.47Å; R281-G313 CarbonylContact O-C 3.57Å; R281-G313 VanDerWaalsContact O-CA 3.25Å; R281-G313 WeakPolarHBondContact O-CA 3.49Å; R281-K314 PolarHBondContact O-N 3.32Å; R281-E334 IonicContact CZ-OE1 3.77Å; R281-E334 IonicContact NE-OE1 2.65Å; R281-E334 PolarHBondContact NE-OE1 3.4Å; R281-E334 IonicContact NH1-OE1 2.73Å; R281-E334 IonicContact NH2-OE1 3.18Å; R281-E334 PolarHBondContact NH2-OE1 2.93Å
282Y89.7Confident83.4Confident43 Ų4374.3 Ų74.317%0.16939%0.393CS..THydrogen-bonded Turntrans-113.414.6-177.9-61.9-72.1000113.5V52 P73 V91 V278 T280 A284 R311 G313V52-Y282 HydrophobicContact CG1-CE2 3.92Å; P73-Y282 HydrophobicContact CB-CD1 4.49Å; P73-Y282 HydrophobicContact CB-CE1 4.08Å; P73-Y282 HydrophobicContact CB-CE2 4.25Å; P73-Y282 HydrophobicContact CG-CD1 3.64Å; P73-Y282 HydrophobicContact CG-CD2 4.19Å; P73-Y282 HydrophobicContact CG-CE1 3.68Å; P73-Y282 HydrophobicContact CG-CE2 4.23Å; P73-Y282 HydrophobicContact CG-CG 3.9Å; V91-Y282 HydrophobicContact CG1-CD2 3.98Å; V91-Y282 HydrophobicContact CG1-CG 4.04Å; V91-Y282 HydrophobicContact CG2-CD2 4.25Å; V278-Y282 HydrophobicContact CG1-CD2 4.12Å; V278-Y282 WeakPolarHBondContact O-CD2 3.39Å; V278-Y282 PolarHBondContact O-N 3.43Å; V278-Y282 VanDerWaalsContact O-N 3.14Å; T280-Y282 VanDerWaalsContact C-N 3.31Å; T280-Y282 PolarHBondContact O-N 3.26Å; Y282-A284 PolarHBondContact O-N 3.14Å; Y282-R311 PolarHBondContact OH-O 2.81Å; Y282-G313 VanDerWaalsContact CE1-CA 3.45Å; Y282-G313 VanDerWaalsContact CE1-N 3.31Å
283R83.9Confident82.7Confident163 Ų16375.8 Ų75.862%0.61540%0.404SS*.  trans-53.4131.6177177.7167176.9-178.30.9111.1V279 T280 I285 K314V279-R283 WeakPolarHBondContact O-CA 3.47Å; V279-R283 VanDerWaalsContact O-CB 3.28Å; V279-R283 WeakPolarHBondContact O-CB 3.36Å; V279-R283 PolarHBondContact O-N 3.37Å; V279-R283 VanDerWaalsContact O-N 3.14Å; T280-R283 WeakPolarHBondContact O-CB 3.28Å; T280-R283 PolarHBondContact O-N 3.22Å; R283-I285 HydrophobicContact CG-CG1 4.16Å; R283-K314 WeakPolarHBondContact O-CD 3.31Å; R283-K314 WeakPolarHBondContact O-CE 3.19Å
284A78.5Confident82.1Confident75 Ų7575.5 Ų75.562%0.6240%0.398SS*.  trans-65.4132.4164.100000110Y282Y282-A284 PolarHBondContact O-N 3.14Å
285I72.8Confident81.6Confident44 Ų4482 Ų8223%0.22642%0.423CS..  trans-127.8105.2-178.4-66.7179.6000107R283 L287 L307 K314 L333R283-I285 HydrophobicContact CG-CG1 4.16Å; I285-L287 VanDerWaalsContact CG2-O 3.23Å; I285-L287 WeakPolarHBondContact CG2-O 3.4Å; I285-L307 HydrophobicContact CD1-CD2 3.96Å; I285-L307 HydrophobicContact CG2-CD2 4.3Å; I285-K314 HydrophobicContact CB-CD 4.38Å; I285-K314 HydrophobicContact CD1-CD 3.65Å; I285-K314 HydrophobicContact CG1-CD 4.01Å; I285-L333 HydrophobicContact CD1-CD2 3.64Å
286D70.3Confident81Confident154 Ų15483.1 Ų83.182%0.82443%0.432SS*.SBendtrans-76.5-33.6-170.8-48.8-55.3000112.1
287L71.3Confident80.1Confident152 Ų15286.2 Ų86.280%0.79644%0.442SS*.SBendtrans-114.1111.6168.7-76.489.9000110.3I285 P289I285-L287 VanDerWaalsContact CG2-O 3.23Å; I285-L287 WeakPolarHBondContact CG2-O 3.4Å; L287-P289 WeakPolarHBondContact O-CD 3.43Å
288I71.8Confident79.5Confident97 Ų9787.9 Ų87.950%0.49746%0.456SS..  trans-71.9122.4167.8-62175.5000108K290 L307I288-K290 PolarHBondContact O-N 2.94Å; I288-K290 VanDerWaalsContact O-N 3.15Å; I288-L307 HydrophobicContact CG1-CD2 4.42Å; I288-L307 HydrophobicContact CG2-CB 3.87Å; I288-L307 HydrophobicContact CG2-CD2 4.3Å
289P69.7Low78.9Confident90 Ų9089.9 Ų89.958%0.58448%0.477SS*.  trans-60.7119.8175.2-21.833.3000110.4L287 V291L287-P289 WeakPolarHBondContact O-CD 3.43Å; P289-V291 VanDerWaalsContact C-N 3.33Å; P289-V291 PolarHBondContact O-N 3.14Å
290K69.5Low78.6Confident210 Ų21094.6 Ų94.691%0.91350%0.497SS*.  trans-72.789.6168.8-76.4-177179.91740108.7I288 Q292I288-K290 PolarHBondContact O-N 2.94Å; I288-K290 VanDerWaalsContact O-N 3.15Å; K290-Q292 PolarHBondContact O-N 3.09Å
291V67.3Low78.5Confident78 Ų7897.4 Ų97.447%0.47350%0.502SS..PPolyproline II helixtrans-74.2123.3170.9-178.30000108.1P289 F305P289-V291 VanDerWaalsContact C-N 3.33Å; P289-V291 PolarHBondContact O-N 3.14Å; V291-F305 HydrophobicContact CB-CB 3.68Å; V291-F305 HydrophobicContact CB-CG 4.36Å; V291-F305 HydrophobicContact CG1-CB 3.55Å; V291-F305 HydrophobicContact CG1-CD1 4.4Å; V291-F305 HydrophobicContact CG1-CD2 3.75Å; V291-F305 HydrophobicContact CG1-CG 3.66Å; V291-F305 HydrophobicContact CG2-CB 4.3Å
292Q68Low78.5Confident166 Ų166101.1 Ų101.178%0.77652%0.516SS*.PPolyproline II helixtrans-60.5146.8178.3-66.4-177.9-0.600110.9K290 L294K290-Q292 PolarHBondContact O-N 3.09Å; Q292-L294 PolarHBondContact O-N 3.25Å
293S79.4Confident78.6Confident40 Ų40101.8 Ų101.828%0.2852%0.519SS..PPolyproline II helixtrans-73.5122.5174.5650000110.1R302 F303S293-R302 PolarHBondContact OG-NE 3.18Å; S293-R302 VanDerWaalsContact OG-NE 3.16Å; S293-R302 PolarHBondContact OG-NH2 3.19Å; S293-F303 WeakPolarHBondContact CA-O 3.34Å
294L83.6Confident79Confident94 Ų9496.4 Ų96.449%0.49250%0.503SS..EExtended strand (participates in β ladder)trans-88.7153.7176.8-55.4177.7000110.2Q292 R302 F303 F305Q292-L294 PolarHBondContact O-N 3.25Å; L294-R302 CarbonylContact O-C 3.58Å; L294-R302 WeakPolarHBondContact O-CA 3.42Å; L294-F303 HydrophobicContact CB-CB 4.35Å; L294-F303 PolarHBondContact N-O 2.81Å; L294-F303 VanDerWaalsContact N-O 3.07Å; L294-F303 PolarHBondContact O-N 3.14Å; L294-F305 HydrophobicContact CB-CE2 4.37Å; L294-F305 HydrophobicContact CD1-CE2 3.82Å; L294-F305 HydrophobicContact CD1-CZ 4.02Å; L294-F305 HydrophobicContact CG-CE2 3.93Å
295Y83.6Confident79.6Confident137 Ų13795.3 Ų95.354%0.53748%0.484SS..EExtended strand (participates in β ladder)trans-112153.3169.9-72.4-93.3000110R301 R302Y295-R301 CarbonylContact C-O 3.56Å; Y295-R301 WeakPolarHBondContact CA-O 3.46Å; Y295-R302 HydrophobicContact CD1-CB 4.13Å; Y295-R302 HydrophobicContact CD1-CG 4.14Å; Y295-R302 HydrophobicContact CE1-CB 3.99Å; Y295-R302 HydrophobicContact CE1-CG 3.81Å; Y295-R302 HydrophobicContact CE2-CG 4.37Å; Y295-R302 VanDerWaalsContact OH-CZ 3.3Å; Y295-R302 PolarHBondContact OH-NE 2.79Å
296S84.2Confident80.4Confident26 Ų2696.7 Ų96.718%0.18249%0.492CS..  trans-66.3160.1165.157.40000110.4S298 G299 R301S296-S298 PolarHBondContact O-N 3Å; S296-S298 PolarHBondContact OG-OG 3.46Å; S296-G299 PolarHBondContact O-N 3.36Å; S296-G299 PolarHBondContact OG-N 2.9Å; S296-R301 PolarHBondContact N-O 3.34Å; S296-R301 WeakPolarHBondContact OG-CB 3.48Å; S296-R301 PolarHBondContact OG-N 3.22Å; S296-R301 PolarHBondContact OG-O 3.38Å
297I74.7Confident81.2Confident101 Ų10190.7 Ų90.752%0.51846%0.46SS..THydrogen-bonded Turntrans-58.5-31.6174.2-58.5165.7000111.1G299 R359I297-G299 VanDerWaalsContact C-N 3.29Å; I297-G299 PolarHBondContact O-N 2.78Å; I297-R359 HydrophobicContact CD1-CG 4.08Å
298S81.5Confident81.9Confident69 Ų6987.9 Ų87.948%0.48344%0.441SS..THydrogen-bonded Turntrans-74.9-10.3173.463.20000114.8S296 E300S296-S298 PolarHBondContact O-N 3Å; S296-S298 PolarHBondContact OG-OG 3.46Å; S298-E300 VanDerWaalsContact CB-OE2 3.31Å; S298-E300 WeakPolarHBondContact CB-OE2 3.46Å; S298-E300 PolarHBondContact O-N 3.02Å; S298-E300 PolarHBondContact OG-OE2 3.4Å
299G82.1Confident82.5Confident43 Ų4387.7 Ų87.744%0.44344%0.441SS..SBendtrans74.1-25.8-171.800000115.2S296 I297 R301S296-G299 PolarHBondContact O-N 3.36Å; S296-G299 PolarHBondContact OG-N 2.9Å; I297-G299 VanDerWaalsContact C-N 3.29Å; I297-G299 PolarHBondContact O-N 2.78Å; G299-R301 PolarHBondContact O-N 2.95Å; G299-R301 VanDerWaalsContact O-N 3.16Å
300E85.8Confident83.2Confident126 Ų12685 Ų8559%0.58942%0.423SS*.SBendtrans-62.7-20.9-174.6-56163143.900115.2S298S298-E300 VanDerWaalsContact CB-OE2 3.31Å; S298-E300 WeakPolarHBondContact CB-OE2 3.46Å; S298-E300 PolarHBondContact O-N 3.02Å; S298-E300 PolarHBondContact OG-OE2 3.4Å
301R89.6Confident83.9Confident115 Ų11580.1 Ų80.143%0.43440%0.399SS..  trans-121.5125.1-174.9-42.2-173.6178.4-177.60.2109.9Y295 S296 G299 F303 Q320 V321 T322Y295-R301 CarbonylContact C-O 3.56Å; Y295-R301 WeakPolarHBondContact CA-O 3.46Å; S296-R301 PolarHBondContact N-O 3.34Å; S296-R301 WeakPolarHBondContact OG-CB 3.48Å; S296-R301 PolarHBondContact OG-N 3.22Å; S296-R301 PolarHBondContact OG-O 3.38Å; G299-R301 PolarHBondContact O-N 2.95Å; G299-R301 VanDerWaalsContact O-N 3.16Å; R301-F303 HydrophobicContact CB-CE2 4.17Å; R301-F303 HydrophobicContact CB-CZ 4.36Å; R301-Q320 HydrophobicContact CB-CG 4.4Å; R301-V321 WeakPolarHBondContact CA-O 3.43Å; R301-T322 HydrophobicContact CB-CG2 4.26Å; R301-T322 HydrophobicContact CG-CG2 3.9Å
302R91Very high84.8Confident101 Ų10181.8 Ų81.838%0.38140%0.397SS..EExtended strand (participates in β ladder)trans-107.5130.6174.7-167.1178.1-175.41782.9110.5S293 L294 Y295 L304 V321S293-R302 PolarHBondContact OG-NE 3.18Å; S293-R302 VanDerWaalsContact OG-NE 3.16Å; S293-R302 PolarHBondContact OG-NH2 3.19Å; L294-R302 CarbonylContact O-C 3.58Å; L294-R302 WeakPolarHBondContact O-CA 3.42Å; Y295-R302 HydrophobicContact CD1-CB 4.13Å; Y295-R302 HydrophobicContact CD1-CG 4.14Å; Y295-R302 HydrophobicContact CE1-CB 3.99Å; Y295-R302 HydrophobicContact CE1-CG 3.81Å; Y295-R302 HydrophobicContact CE2-CG 4.37Å; Y295-R302 VanDerWaalsContact OH-CZ 3.3Å; Y295-R302 PolarHBondContact OH-NE 2.79Å; R302-L304 HydrophobicContact CG-CD2 4.36Å; R302-V321 PolarHBondContact N-O 3.26Å; R302-V321 PolarHBondContact O-N 2.89Å
303F92.9Very high85.7Confident56 Ų5674 Ų7425%0.24636%0.361CS..EExtended strand (participates in β ladder)trans-103.9122.2177-60.9-86.5000110.2S293 L294 R301 F305 S319 Q320S293-F303 WeakPolarHBondContact CA-O 3.34Å; L294-F303 HydrophobicContact CB-CB 4.35Å; L294-F303 PolarHBondContact N-O 2.81Å; L294-F303 VanDerWaalsContact N-O 3.07Å; L294-F303 PolarHBondContact O-N 3.14Å; R301-F303 HydrophobicContact CB-CE2 4.17Å; R301-F303 HydrophobicContact CB-CZ 4.36Å; F303-F305 HydrophobicContact CB-CE2 3.81Å; F303-F305 HydrophobicContact CB-CZ 4.18Å; F303-S319 CarbonylContact C-O 3.4Å; F303-S319 WeakPolarHBondContact CA-O 3.23Å; F303-Q320 HydrophobicContact CD1-CB 4.04Å; F303-Q320 HydrophobicContact CD1-CG 4.25Å; F303-Q320 HydrophobicContact CE1-CB 3.8Å; F303-Q320 HydrophobicContact CE1-CG 3.68Å; F303-Q320 HydrophobicContact CZ-CG 4.09Å
304L91.1Very high86.1Confident50 Ų5072.9 Ų72.926%0.26235%0.351SS..EExtended strand (participates in β ladder)trans-114.4124.4-180-58171.8000109.8R302 S319 V321R302-L304 HydrophobicContact CG-CD2 4.36Å; L304-S319 PolarHBondContact N-O 2.69Å; L304-S319 PolarHBondContact O-N 3.06Å; L304-V321 HydrophobicContact CD1-CG2 3.9Å; L304-V321 HydrophobicContact CG-CG2 4.49Å
305F91.4Very high86.5Confident52 Ų5270.3 Ų70.323%0.22834%0.335CS..EExtended strand (participates in β ladder)trans-109114.7-177.3-61.4-97.1000108.9V291 L294 F303 I318V291-F305 HydrophobicContact CB-CB 3.68Å; V291-F305 HydrophobicContact CB-CG 4.36Å; V291-F305 HydrophobicContact CG1-CB 3.55Å; V291-F305 HydrophobicContact CG1-CD1 4.4Å; V291-F305 HydrophobicContact CG1-CD2 3.75Å; V291-F305 HydrophobicContact CG1-CG 3.66Å; V291-F305 HydrophobicContact CG2-CB 4.3Å; L294-F305 HydrophobicContact CB-CE2 4.37Å; L294-F305 HydrophobicContact CD1-CE2 3.82Å; L294-F305 HydrophobicContact CD1-CZ 4.02Å; L294-F305 HydrophobicContact CG-CE2 3.93Å; F303-F305 HydrophobicContact CB-CE2 3.81Å; F303-F305 HydrophobicContact CB-CZ 4.18Å; F305-I318 HydrophobicContact CD1-CB 4.44Å; F305-I318 HydrophobicContact CD1-CD1 4.17Å; F305-I318 HydrophobicContact CD1-CG1 3.8Å; F305-I318 HydrophobicContact CD1-CG2 4.14Å; F305-I318 HydrophobicContact CE1-CB 4.45Å; F305-I318 HydrophobicContact CE1-CD1 3.9Å; F305-I318 HydrophobicContact CE1-CG1 3.94Å; F305-I318 HydrophobicContact CE1-CG2 3.78Å; F305-I318 HydrophobicContact CZ-CG2 4.2Å
306N88.8Confident86.8Confident73 Ų7365.4 Ų65.439%0.3932%0.317SS..EExtended strand (participates in β ladder)trans-129.9118.4-177.3-65.9-87.5000110K308 H317N306-K308 HydrophobicContact CB-CG 4.47Å; N306-K308 PolarHBondContact O-N 2.78Å; N306-H317 PolarHBondContact N-O 2.9Å; N306-H317 WeakPolarHBondContact O-CB 3.45Å; N306-H317 PolarHBondContact O-N 2.92Å
307L88.3Confident87.2Confident28 Ų2865.9 Ų65.915%0.14732%0.317CS..EExtended strand (participates in β ladder)trans-71.2127.3166.5-171.167.3000108.5I285 I288 K314 I316 L333I285-L307 HydrophobicContact CD1-CD2 3.96Å; I285-L307 HydrophobicContact CG2-CD2 4.3Å; I288-L307 HydrophobicContact CG1-CD2 4.42Å; I288-L307 HydrophobicContact CG2-CB 3.87Å; I288-L307 HydrophobicContact CG2-CD2 4.3Å; L307-K314 HydrophobicContact CD1-CB 4.34Å; L307-I316 HydrophobicContact CD1-CG1 3.72Å; L307-L333 HydrophobicContact CD1-CD1 4.36Å
308K86.1Confident88.1Confident94 Ų9462.7 Ų62.741%0.40930%0.3SS..EExtended strand (participates in β ladder)trans-129.4145.3179.7-63.2-164.7179.3-1710111.8N306 K314 R315 H317N306-K308 HydrophobicContact CB-CG 4.47Å; N306-K308 PolarHBondContact O-N 2.78Å; K308-K314 CarbonylContact O-C 3.59Å; K308-K314 WeakPolarHBondContact O-CA 3.48Å; K308-R315 PolarHBondContact N-O 2.83Å; K308-R315 PolarHBondContact O-N 2.92Å; K308-H317 HydrophobicContact CD-CB 4.45Å
309D84.1Confident88.6Confident93 Ų9359.5 Ų59.550%0.49728%0.278SS..EExtended strand (participates in β ladder)trans-90.4121.1173.2-6612.5000107.9K314D309-K314 WeakPolarHBondContact OD1-CG 3.5Å; D309-K314 IonicContact OD1-NZ 3.43Å; D309-K314 PolarHBondContact OD1-NZ 3.34Å; D309-K314 IonicContact OD2-NZ 2.94Å; D309-K314 PolarHBondContact OD2-NZ 3.41Å
310T85.1Confident89.2Confident33 Ų3360 Ų6020%0.20227%0.269CS..EExtended strand (participates in β ladder)trans-122.9163.5178.578.60000109.2W312 G313 R315T310-W312 PolarHBondContact O-N 3.22Å; T310-W312 VanDerWaalsContact O-N 3.08Å; T310-W312 PolarHBondContact OG1-N 3.37Å; T310-G313 WeakPolarHBondContact CB-O 3.38Å; T310-G313 PolarHBondContact N-O 3.26Å; T310-G313 PolarHBondContact O-N 3.08Å; T310-G313 PolarHBondContact OG1-O 3.31Å; T310-R315 HydrophobicContact CG2-CG 4.3Å
311R83.5Confident89.5Confident108 Ų10856.1 Ų56.141%0.40825%0.253SS..THydrogen-bonded Turntrans-56.7-24.7173.263.6166.2175178.3-1.9113.7L31 E54 Y282 G313L31-R311 WeakPolarHBondContact CD1-O 3.24Å; L31-R311 HydrophobicContact CD2-CB 4.31Å; L31-R311 HydrophobicContact CD2-CG 4.17Å; E54-R311 WeakPolarHBondContact OE1-CD 3.32Å; E54-R311 IonicContact OE1-NH1 3.42Å; E54-R311 PolarHBondContact OE1-NH1 3.03Å; Y282-R311 PolarHBondContact OH-O 2.81Å; R311-G313 VanDerWaalsContact C-N 3.32Å
312W85.5Confident89.6Confident112 Ų11252.4 Ų52.442%0.42424%0.243SC..THydrogen-bonded Turntrans-90.910.7177.3-50.9-80.4000113.4R281 T310R281-W312 WeakPolarHBondContact CD-O 3.2Å; R281-W312 WeakPolarHBondContact CG-O 3.47Å; T310-W312 PolarHBondContact O-N 3.22Å; T310-W312 VanDerWaalsContact O-N 3.08Å; T310-W312 PolarHBondContact OG1-N 3.37Å
313G87.7Confident89.4Confident2 Ų255.5 Ų55.52%0.02127%0.267CS..EExtended strand (participates in β ladder)trans105.8-176.5-175.500000114.3R281 Y282 T310 R311R281-G313 CarbonylContact O-C 3.57Å; R281-G313 VanDerWaalsContact O-CA 3.25Å; R281-G313 WeakPolarHBondContact O-CA 3.49Å; Y282-G313 VanDerWaalsContact CE1-CA 3.45Å; Y282-G313 VanDerWaalsContact CE1-N 3.31Å; T310-G313 WeakPolarHBondContact CB-O 3.38Å; T310-G313 PolarHBondContact N-O 3.26Å; T310-G313 PolarHBondContact O-N 3.08Å; T310-G313 PolarHBondContact OG1-O 3.31Å; R311-G313 VanDerWaalsContact C-N 3.32Å
314K88.4Confident89.2Confident17 Ų1759.7 Ų59.77%0.07429%0.292CS..EExtended strand (participates in β ladder)trans-72.9132.3174.8-63.7-163.6176.8-89.10110.2R281 R283 I285 L307 K308 D309 L333R281-K314 PolarHBondContact O-N 3.32Å; R283-K314 WeakPolarHBondContact O-CD 3.31Å; R283-K314 WeakPolarHBondContact O-CE 3.19Å; I285-K314 HydrophobicContact CB-CD 4.38Å; I285-K314 HydrophobicContact CD1-CD 3.65Å; I285-K314 HydrophobicContact CG1-CD 4.01Å; L307-K314 HydrophobicContact CD1-CB 4.34Å; K308-K314 CarbonylContact O-C 3.59Å; K308-K314 WeakPolarHBondContact O-CA 3.48Å; D309-K314 WeakPolarHBondContact OD1-CG 3.5Å; D309-K314 IonicContact OD1-NZ 3.43Å; D309-K314 PolarHBondContact OD1-NZ 3.34Å; D309-K314 IonicContact OD2-NZ 2.94Å; D309-K314 PolarHBondContact OD2-NZ 3.41Å; K314-L333 HydrophobicContact CB-CB 4.49Å; K314-L333 HydrophobicContact CB-CD2 4.33Å; K314-L333 PolarHBondContact O-N 3.38Å
315R91.1Very high89.1Confident41 Ų4163.6 Ų63.616%0.15531%0.309CS..EExtended strand (participates in β ladder)trans-134.3140.5179.9-54.5-177.898.689.3-13.2110.4K308 T310 H317 G330 I331K308-R315 PolarHBondContact N-O 2.83Å; K308-R315 PolarHBondContact O-N 2.92Å; T310-R315 HydrophobicContact CG2-CG 4.3Å; R315-H317 PolarHBondContact O-N 3.21Å; R315-G330 PolarHBondContact NE-O 2.74Å; R315-I331 CarbonylContact C-O 3.57Å; R315-I331 WeakPolarHBondContact CA-O 3.32Å; R315-I331 WeakPolarHBondContact CB-O 3.27Å
316I90.9Very high89.2Confident34 Ų3468 Ų6817%0.17432%0.324CS..EExtended strand (participates in β ladder)trans-83.2112.4167.7-61.3-168.3000108.1L307 I318 I331 L336L307-I316 HydrophobicContact CD1-CG1 3.72Å; I316-I318 HydrophobicContact CG2-CG1 4.15Å; I316-I331 PolarHBondContact N-O 3.15Å; I316-I331 PolarHBondContact O-N 3.06Å; I316-L336 HydrophobicContact CB-CD1 4.44Å; I316-L336 HydrophobicContact CD1-CD1 3.76Å; I316-L336 HydrophobicContact CD1-CD2 3.62Å; I316-L336 HydrophobicContact CD1-CG 4.36Å; I316-L336 HydrophobicContact CG1-CD1 4.3Å
317H91.9Very high89.5Confident36 Ų3667.5 Ų67.517%0.16732%0.321CS..EExtended strand (participates in β ladder)trans-86.8112.8171.4-76.8-109.8000109.7N306 K308 R315 V328 I329N306-H317 PolarHBondContact N-O 2.9Å; N306-H317 WeakPolarHBondContact O-CB 3.45Å; N306-H317 PolarHBondContact O-N 2.92Å; K308-H317 HydrophobicContact CD-CB 4.45Å; R315-H317 PolarHBondContact O-N 3.21Å; H317-V328 HydrophobicContact CB-CG1 4.11Å; H317-I329 CarbonylContact C-O 3.57Å; H317-I329 VanDerWaalsContact CA-O 3.27Å; H317-I329 WeakPolarHBondContact CA-O 3.34Å
318I92.7Very high89.7Confident34 Ų3469.3 Ų69.317%0.17433%0.333CS..EExtended strand (participates in β ladder)trans-96.6110.4171-50.4180000106.5F305 I316 V328 I329 I331F305-I318 HydrophobicContact CD1-CB 4.44Å; F305-I318 HydrophobicContact CD1-CD1 4.17Å; F305-I318 HydrophobicContact CD1-CG1 3.8Å; F305-I318 HydrophobicContact CD1-CG2 4.14Å; F305-I318 HydrophobicContact CE1-CB 4.45Å; F305-I318 HydrophobicContact CE1-CD1 3.9Å; F305-I318 HydrophobicContact CE1-CG1 3.94Å; F305-I318 HydrophobicContact CE1-CG2 3.78Å; F305-I318 HydrophobicContact CZ-CG2 4.2Å; I316-I318 HydrophobicContact CG2-CG1 4.15Å; I318-V328 WeakPolarHBondContact O-CA 3.49Å; I318-I329 HydrophobicContact CB-CD1 4.38Å; I318-I329 HydrophobicContact CB-CG1 3.86Å; I318-I329 HydrophobicContact CD1-CD1 4.33Å; I318-I329 HydrophobicContact CG1-CG1 4.44Å; I318-I329 PolarHBondContact N-O 3.04Å; I318-I329 PolarHBondContact O-N 2.79Å; I318-I331 HydrophobicContact CD1-CD1 3.73Å; I318-I331 HydrophobicContact CG1-CD1 4.48Å
319S93.2Very high90.1Very high1 Ų168.3 Ų68.31%0.00733%0.331CS..EExtended strand (participates in β ladder)trans-99.1123173.7-50.90000109.7F303 L304 R326 N327 V328F303-S319 CarbonylContact C-O 3.4Å; F303-S319 WeakPolarHBondContact CA-O 3.23Å; L304-S319 PolarHBondContact N-O 2.69Å; L304-S319 PolarHBondContact O-N 3.06Å; S319-R326 PolarHBondContact OG-NH2 3.31Å; S319-R326 VanDerWaalsContact OG-NH2 3.1Å; S319-N327 CarbonylContact C-O 3.51Å; S319-N327 VanDerWaalsContact CA-O 3.28Å; S319-N327 WeakPolarHBondContact CA-O 3.46Å; S319-V328 WeakPolarHBondContact OG-CG2 2.79Å
320Q94.1Very high90.5Very high55 Ų5565.2 Ų65.226%0.25732%0.321SS..EExtended strand (participates in β ladder)trans-87.9127.8160.1-177.1-176.3-56.600107.9R301 F303 R326 N327R301-Q320 HydrophobicContact CB-CG 4.4Å; F303-Q320 HydrophobicContact CD1-CB 4.04Å; F303-Q320 HydrophobicContact CD1-CG 4.25Å; F303-Q320 HydrophobicContact CE1-CB 3.8Å; F303-Q320 HydrophobicContact CE1-CG 3.68Å; F303-Q320 HydrophobicContact CZ-CG 4.09Å; Q320-R326 WeakPolarHBondContact O-CA 3.33Å; Q320-N327 PolarHBondContact N-O 2.99Å; Q320-N327 PolarHBondContact O-N 3.12Å
321V92.7Very high90.9Very high44 Ų4464.4 Ų64.427%0.26732%0.315SS..EExtended strand (participates in β ladder)trans-121.8132.4177.8-173.70000108.6R301 R302 L304 R326R301-V321 WeakPolarHBondContact CA-O 3.43Å; R302-V321 PolarHBondContact N-O 3.26Å; R302-V321 PolarHBondContact O-N 2.89Å; L304-V321 HydrophobicContact CD1-CG2 3.9Å; L304-V321 HydrophobicContact CG-CG2 4.49Å; V321-R326 HydrophobicContact CG2-CG 4.22Å
322T90.9Very high91.3Very high36 Ų3659.8 Ų59.822%0.22130%0.299CS..  trans-126.3175.2166.8670000108.5R301 L324 H325R301-T322 HydrophobicContact CB-CG2 4.26Å; R301-T322 HydrophobicContact CG-CG2 3.9Å; T322-L324 PolarHBondContact O-N 2.91Å; T322-H325 PolarHBondContact N-O 3.16Å; T322-H325 PolarHBondContact OG1-N 3.08Å; T322-H325 VanDerWaalsContact OG1-N 3.08Å; T322-H325 PolarHBondContact OG1-O 3.05Å
323D86.6Confident91.5Very high166 Ų16656 Ų5689%0.88829%0.288SS*.SBendtrans-61.6-26178.9-58.8-27.7000113.3
324L89.2Confident91.6Very high145 Ų14557.9 Ų57.976%0.75930%0.296SS*.SBendtrans-103.7-35.3-176.5-63.8171.3000113.5T322T322-L324 PolarHBondContact O-N 2.91Å
325H90.4Very high91.8Very high132 Ų13260.2 Ų60.261%0.61131%0.309SS*.  trans-139.4151.6-165-59.3-52.9000113.2T322T322-H325 PolarHBondContact N-O 3.16Å; T322-H325 PolarHBondContact OG1-N 3.08Å; T322-H325 VanDerWaalsContact OG1-N 3.08Å; T322-H325 PolarHBondContact OG1-O 3.05Å
326R92Very high91.7Very high144 Ų14460.9 Ų60.954%0.54332%0.315SS..EExtended strand (participates in β ladder)trans-132116.8173177.3-178.5-179.91768.6110.6S319 Q320 V321 V328S319-R326 PolarHBondContact OG-NH2 3.31Å; S319-R326 VanDerWaalsContact OG-NH2 3.1Å; Q320-R326 WeakPolarHBondContact O-CA 3.33Å; V321-R326 HydrophobicContact CG2-CG 4.22Å; R326-V328 HydrophobicContact CG-CG2 4.08Å
327N94.5Very high91.7Very high63 Ų6364.4 Ų64.434%0.33734%0.338SS..EExtended strand (participates in β ladder)trans-106.1145.8171.7-68.2-13.5000109.8S319 Q320S319-N327 CarbonylContact C-O 3.51Å; S319-N327 VanDerWaalsContact CA-O 3.28Å; S319-N327 WeakPolarHBondContact CA-O 3.46Å; Q320-N327 PolarHBondContact N-O 2.99Å; Q320-N327 PolarHBondContact O-N 3.12Å
328V93.2Very high91.8Very high65 Ų6565 Ų6539%0.39435%0.346SS..EExtended strand (participates in β ladder)trans-140.4124-179.1-1710000110.8H317 I318 S319 R326H317-V328 HydrophobicContact CB-CG1 4.11Å; I318-V328 WeakPolarHBondContact O-CA 3.49Å; S319-V328 WeakPolarHBondContact OG-CG2 2.79Å; R326-V328 HydrophobicContact CG-CG2 4.08Å
329I94.5Very high91.8Very high74 Ų7466.2 Ų66.238%0.37935%0.351SS..EExtended strand (participates in β ladder)trans-105.8146.116862.6173.1000110.1H317 I318 I331H317-I329 CarbonylContact C-O 3.57Å; H317-I329 VanDerWaalsContact CA-O 3.27Å; H317-I329 WeakPolarHBondContact CA-O 3.34Å; I318-I329 HydrophobicContact CB-CD1 4.38Å; I318-I329 HydrophobicContact CB-CG1 3.86Å; I318-I329 HydrophobicContact CD1-CD1 4.33Å; I318-I329 HydrophobicContact CG1-CG1 4.44Å; I318-I329 PolarHBondContact N-O 3.04Å; I318-I329 PolarHBondContact O-N 2.79Å; I329-I331 HydrophobicContact CD1-CD1 4.2Å; I329-I331 HydrophobicContact CD1-CG1 4.45Å
330G92.7Very high91.9Very high28 Ų2874 Ų7429%0.28938%0.38SS..EExtended strand (participates in β ladder)trans-125.292.6-175.800000112.5R315R315-G330 PolarHBondContact NE-O 2.74Å
331I93.2Very high91.9Very high15 Ų1574.3 Ų74.38%0.07739%0.388CS..EExtended strand (participates in β ladder)trans-85.3128.2-172.4-54174000109.7R315 I316 I318 I329 L336 F339R315-I331 CarbonylContact C-O 3.57Å; R315-I331 WeakPolarHBondContact CA-O 3.32Å; R315-I331 WeakPolarHBondContact CB-O 3.27Å; I316-I331 PolarHBondContact N-O 3.15Å; I316-I331 PolarHBondContact O-N 3.06Å; I318-I331 HydrophobicContact CD1-CD1 3.73Å; I318-I331 HydrophobicContact CG1-CD1 4.48Å; I329-I331 HydrophobicContact CD1-CD1 4.2Å; I329-I331 HydrophobicContact CD1-CG1 4.45Å; I331-L336 HydrophobicContact CG2-CD1 4.22Å; I331-F339 HydrophobicContact CD1-CD1 3.7Å; I331-F339 HydrophobicContact CD1-CD2 4.13Å; I331-F339 HydrophobicContact CD1-CE1 3.38Å; I331-F339 HydrophobicContact CD1-CE2 3.86Å; I331-F339 HydrophobicContact CD1-CG 4.06Å; I331-F339 HydrophobicContact CD1-CZ 3.47Å; I331-F339 VanDerWaalsContact CD1-CZ 3.47Å; I331-F339 HydrophobicContact CG2-CB 4.35Å; I331-F339 HydrophobicContact CG2-CG 4.28Å
332P92.3Very high92Very high11 Ų1179 Ų797%0.07140%0.401CS..EExtended strand (participates in β ladder)trans-60.4147174-12.323.6000112.3E334 D335 L336P332-E334 HydrophobicContact CB-CG 3.97Å; P332-E334 WeakPolarHBondContact CB-OE1 3.37Å; P332-E334 VanDerWaalsContact CB-OE2 3.31Å; P332-E334 WeakPolarHBondContact CB-OE2 3.15Å; P332-D335 HydrophobicContact CB-CB 4.28Å; P332-D335 HydrophobicContact CG-CB 4.3Å; P332-D335 PolarHBondContact O-N 3.27Å; P332-L336 PolarHBondContact O-N 3.47Å
333L89.8Confident92.1Very high34 Ų3481.2 Ų81.218%0.17841%0.411CS..THydrogen-bonded Turntrans-69.6-36.1-177.7-171.165000112.1I285 L307 K314 D335 L336I285-L333 HydrophobicContact CD1-CD2 3.64Å; L307-L333 HydrophobicContact CD1-CD1 4.36Å; K314-L333 HydrophobicContact CB-CB 4.49Å; K314-L333 HydrophobicContact CB-CD2 4.33Å; K314-L333 PolarHBondContact O-N 3.38Å; L333-D335 VanDerWaalsContact C-N 3.27Å; L333-D335 PolarHBondContact O-N 3.03Å; L333-L336 HydrophobicContact CD1-CD2 4.26Å; L333-L336 VanDerWaalsContact O-CB 3.29Å; L333-L336 WeakPolarHBondContact O-CB 3.34Å; L333-L336 PolarHBondContact O-N 3.46Å
334E89.1Confident92.4Very high41 Ų4176.1 Ų76.119%0.19238%0.384CS..THydrogen-bonded Turntrans-59.1-35.9174.361.5-89.1-156.100113D277 T280 R281 P332D277-E334 WeakPolarHBondContact OD1-CB 3.42Å; D277-E334 WeakPolarHBondContact OD1-CG 3.49Å; T280-E334 HydrophobicContact CG2-CB 4.33Å; R281-E334 IonicContact CZ-OE1 3.77Å; R281-E334 IonicContact NE-OE1 2.65Å; R281-E334 PolarHBondContact NE-OE1 3.4Å; R281-E334 IonicContact NH1-OE1 2.73Å; R281-E334 IonicContact NH2-OE1 3.18Å; R281-E334 PolarHBondContact NH2-OE1 2.93Å; P332-E334 HydrophobicContact CB-CG 3.97Å; P332-E334 WeakPolarHBondContact CB-OE1 3.37Å; P332-E334 VanDerWaalsContact CB-OE2 3.31Å; P332-E334 WeakPolarHBondContact CB-OE2 3.15Å
335D92.7Very high92.6Very high66 Ų6673.7 Ų73.735%0.35338%0.375SS..THydrogen-bonded Turntrans-84.1-12.6-177.8-85.2-32.3000112.6P332 L333 V337 S338 F339P332-D335 HydrophobicContact CB-CB 4.28Å; P332-D335 HydrophobicContact CG-CB 4.3Å; P332-D335 PolarHBondContact O-N 3.27Å; L333-D335 VanDerWaalsContact C-N 3.27Å; L333-D335 PolarHBondContact O-N 3.03Å; D335-V337 VanDerWaalsContact C-N 3.31Å; D335-V337 PolarHBondContact O-N 3.39Å; D335-S338 CarbonylContact O-C 3.59Å; D335-S338 WeakPolarHBondContact O-CA 3.25Å; D335-S338 WeakPolarHBondContact O-CB 3.45Å; D335-S338 PolarHBondContact O-N 3.41Å; D335-S338 PolarHBondContact O-OG 2.92Å; D335-F339 PolarHBondContact O-N 2.86Å
336L90.1Very high92.8Very high54 Ų5470.8 Ų70.828%0.28337%0.366SS..Hα-helixtrans-58.8-39.5-165.6-165.577.3000113.1I316 I331 P332 L333 F339 R340I316-L336 HydrophobicContact CB-CD1 4.44Å; I316-L336 HydrophobicContact CD1-CD1 3.76Å; I316-L336 HydrophobicContact CD1-CD2 3.62Å; I316-L336 HydrophobicContact CD1-CG 4.36Å; I316-L336 HydrophobicContact CG1-CD1 4.3Å; I331-L336 HydrophobicContact CG2-CD1 4.22Å; P332-L336 PolarHBondContact O-N 3.47Å; L333-L336 HydrophobicContact CD1-CD2 4.26Å; L333-L336 VanDerWaalsContact O-CB 3.29Å; L333-L336 WeakPolarHBondContact O-CB 3.34Å; L333-L336 PolarHBondContact O-N 3.46Å; L336-F339 PolarHBondContact O-N 3.15Å; L336-R340 WeakPolarHBondContact O-CB 3.13Å; L336-R340 PolarHBondContact O-N 2.84Å
337V90.4Very high92.6Very high109 Ų10967 Ų6766%0.66136%0.356SS*.Hα-helixtrans-65.4-45.5176.3-177.80000110.4D335 F339 R340 S341D335-V337 VanDerWaalsContact C-N 3.31Å; D335-V337 PolarHBondContact O-N 3.39Å; V337-F339 VanDerWaalsContact C-N 3.29Å; V337-F339 PolarHBondContact O-N 3.1Å; V337-R340 PolarHBondContact O-N 2.99Å; V337-S341 PolarHBondContact O-N 2.91Å; V337-S341 PolarHBondContact O-OG 3.45Å
338S92.9Very high92.4Very high47 Ų4770.1 Ų70.133%0.32937%0.367SS..Hα-helixtrans-65.9-31.7177.184.80000112.8D335 R342D335-S338 CarbonylContact O-C 3.59Å; D335-S338 WeakPolarHBondContact O-CA 3.25Å; D335-S338 WeakPolarHBondContact O-CB 3.45Å; D335-S338 PolarHBondContact O-N 3.41Å; D335-S338 PolarHBondContact O-OG 2.92Å; S338-R342 WeakPolarHBondContact O-CB 3.05Å; S338-R342 VanDerWaalsContact O-CG 3.32Å; S338-R342 WeakPolarHBondContact O-CG 3.4Å; S338-R342 PolarHBondContact O-N 2.8Å; S338-R342 VanDerWaalsContact O-N 3.15Å; S338-R342 PolarHBondContact O-NE 3.11Å; S338-R342 PolarHBondContact OG-NH2 2.73Å
339F94.3Very high92.3Very high61 Ų6171.3 Ų71.327%0.26838%0.378SS..Hα-helixtrans-69.8-46.9176.3178.4-97.3000110.2I331 D335 L336 V337 R342 L343I331-F339 HydrophobicContact CD1-CD1 3.7Å; I331-F339 HydrophobicContact CD1-CD2 4.13Å; I331-F339 HydrophobicContact CD1-CE1 3.38Å; I331-F339 HydrophobicContact CD1-CE2 3.86Å; I331-F339 HydrophobicContact CD1-CG 4.06Å; I331-F339 HydrophobicContact CD1-CZ 3.47Å; I331-F339 VanDerWaalsContact CD1-CZ 3.47Å; I331-F339 HydrophobicContact CG2-CB 4.35Å; I331-F339 HydrophobicContact CG2-CG 4.28Å; D335-F339 PolarHBondContact O-N 2.86Å; L336-F339 PolarHBondContact O-N 3.15Å; V337-F339 VanDerWaalsContact C-N 3.29Å; V337-F339 PolarHBondContact O-N 3.1Å; F339-R342 PolarHBondContact O-N 2.87Å; F339-L343 HydrophobicContact CD1-CD1 3.99Å; F339-L343 HydrophobicContact CD1-CG 4.46Å; F339-L343 HydrophobicContact CE1-CD1 3.33Å; F339-L343 HydrophobicContact CE1-CG 4.03Å; F339-L343 HydrophobicContact CZ-CD1 3.75Å; F339-L343 HydrophobicContact CZ-CD2 4.46Å; F339-L343 HydrophobicContact CZ-CG 4.13Å; F339-L343 PolarHBondContact O-N 2.65Å
340R93.7Very high92.1Very high165 Ų16573.2 Ų73.262%0.62339%0.388SS*.Hα-helixtrans-55.9-54.4171.8-179.7-170.1161.3-178.21.3111.2L336 V337 R342 L343 D344L336-R340 WeakPolarHBondContact O-CB 3.13Å; L336-R340 PolarHBondContact O-N 2.84Å; V337-R340 PolarHBondContact O-N 2.99Å; R340-R342 PolarHBondContact O-N 3.48Å; R340-R342 VanDerWaalsContact O-N 3.17Å; R340-L343 CarbonylContact O-C 3.5Å; R340-L343 WeakPolarHBondContact O-CB 3.19Å; R340-L343 PolarHBondContact O-N 2.96Å; R340-D344 WeakPolarHBondContact CG-OD2 3.23Å; R340-D344 IonicContact CZ-OD2 3.85Å; R340-D344 IonicContact NE-OD2 3.37Å; R340-D344 PolarHBondContact NE-OD2 3.27Å; R340-D344 IonicContact NH2-OD2 2.94Å; R340-D344 VanDerWaalsContact O-CG 3.31Å; R340-D344 PolarHBondContact O-N 2.74Å
341S94.5Very high91.6Very high60 Ų6073.9 Ų73.942%0.4240%0.395SS..Hα-helixtrans-59.6-32-178.4-57.50000112.9V337 T345V337-S341 PolarHBondContact O-N 2.91Å; V337-S341 PolarHBondContact O-OG 3.45Å; S341-T345 WeakPolarHBondContact O-CB 3.28Å; S341-T345 PolarHBondContact O-N 2.92Å; S341-T345 PolarHBondContact O-OG1 3.03Å
342R94.9Very high91Very high143 Ų14376 Ų7654%0.5441%0.406SS..Hα-helixtrans-70.2-42.8172.8-77.9177.4-75.5175.6-6112.5S338 F339 R340 T345 V346S338-R342 WeakPolarHBondContact O-CB 3.05Å; S338-R342 VanDerWaalsContact O-CG 3.32Å; S338-R342 WeakPolarHBondContact O-CG 3.4Å; S338-R342 PolarHBondContact O-N 2.8Å; S338-R342 VanDerWaalsContact O-N 3.15Å; S338-R342 PolarHBondContact O-NE 3.11Å; S338-R342 PolarHBondContact OG-NH2 2.73Å; F339-R342 PolarHBondContact O-N 2.87Å; R340-R342 PolarHBondContact O-N 3.48Å; R340-R342 VanDerWaalsContact O-N 3.17Å; R342-T345 PolarHBondContact O-N 2.99Å; R342-V346 WeakPolarHBondContact O-CG2 3.39Å; R342-V346 PolarHBondContact O-N 3.47Å
343L93.5Very high90.1Very high82 Ų8279.8 Ų79.843%0.42942%0.423SS..Hα-helixtrans-61.7-47.2172.6-75.2-178000111.7F339 R340 T345 V346 I347F339-L343 HydrophobicContact CD1-CD1 3.99Å; F339-L343 HydrophobicContact CD1-CG 4.46Å; F339-L343 HydrophobicContact CE1-CD1 3.33Å; F339-L343 HydrophobicContact CE1-CG 4.03Å; F339-L343 HydrophobicContact CZ-CD1 3.75Å; F339-L343 HydrophobicContact CZ-CD2 4.46Å; F339-L343 HydrophobicContact CZ-CG 4.13Å; F339-L343 PolarHBondContact O-N 2.65Å; R340-L343 CarbonylContact O-C 3.5Å; R340-L343 WeakPolarHBondContact O-CB 3.19Å; R340-L343 PolarHBondContact O-N 2.96Å; L343-T345 VanDerWaalsContact C-N 3.28Å; L343-T345 PolarHBondContact O-N 3Å; L343-V346 PolarHBondContact O-N 3.39Å; L343-V346 VanDerWaalsContact O-N 3.08Å; L343-I347 WeakPolarHBondContact O-CB 3.49Å; L343-I347 VanDerWaalsContact O-CG1 3.31Å; L343-I347 WeakPolarHBondContact O-CG1 3.04Å; L343-I347 PolarHBondContact O-N 3.47Å
344D92.9Very high88.8Confident60 Ų6084.2 Ų84.232%0.32145%0.447SS..Hα-helixtrans-55.1-46.4176.3-65.6-14.5000109.8R340 V346 I347 K348R340-D344 WeakPolarHBondContact CG-OD2 3.23Å; R340-D344 IonicContact CZ-OD2 3.85Å; R340-D344 IonicContact NE-OD2 3.37Å; R340-D344 PolarHBondContact NE-OD2 3.27Å; R340-D344 IonicContact NH2-OD2 2.94Å; R340-D344 VanDerWaalsContact O-CG 3.31Å; R340-D344 PolarHBondContact O-N 2.74Å; D344-V346 PolarHBondContact O-N 2.85Å; D344-I347 PolarHBondContact O-N 2.81Å; D344-K348 WeakPolarHBondContact O-CG 3.48Å; D344-K348 PolarHBondContact O-N 2.98Å
345T93.6Very high87.2Confident93 Ų9385.9 Ų85.957%0.57145%0.454SS*.Hα-helixtrans-58.3-43.7175.6-54.10000112.7S341 R342 L343 S349S341-T345 WeakPolarHBondContact O-CB 3.28Å; S341-T345 PolarHBondContact O-N 2.92Å; S341-T345 PolarHBondContact O-OG1 3.03Å; R342-T345 PolarHBondContact O-N 2.99Å; L343-T345 VanDerWaalsContact C-N 3.28Å; L343-T345 PolarHBondContact O-N 3Å; T345-S349 WeakPolarHBondContact O-CB 3.19Å; T345-S349 PolarHBondContact O-N 3Å; T345-S349 PolarHBondContact O-OG 3Å
346V93.4Very high85.2Confident72 Ų7291.9 Ų91.944%0.43647%0.474SS..Hα-helixtrans-66-45.3178.3170.80000111R342 L343 D344 K348 S349 L350R342-V346 WeakPolarHBondContact O-CG2 3.39Å; R342-V346 PolarHBondContact O-N 3.47Å; L343-V346 PolarHBondContact O-N 3.39Å; L343-V346 VanDerWaalsContact O-N 3.08Å; D344-V346 PolarHBondContact O-N 2.85Å; V346-K348 VanDerWaalsContact C-N 3.33Å; V346-K348 PolarHBondContact O-N 3.15Å; V346-S349 WeakPolarHBondContact CA-OG 3.48Å; V346-S349 PolarHBondContact O-N 2.79Å; V346-S349 PolarHBondContact O-OG 3.22Å; V346-L350 HydrophobicContact CG1-CD1 3.72Å; V346-L350 HydrophobicContact CG1-CG 4.38Å; V346-L350 WeakPolarHBondContact O-CB 3.41Å; V346-L350 WeakPolarHBondContact O-CG 3.4Å; V346-L350 PolarHBondContact O-N 3.44Å
347I89.1Confident83.3Confident65 Ų6592.8 Ų92.833%0.33349%0.489SS..Hα-helixtrans-56.7-46.5177.8-72.1165.1000110.7L343 D344 G351 L352 E353L343-I347 WeakPolarHBondContact O-CB 3.49Å; L343-I347 VanDerWaalsContact O-CG1 3.31Å; L343-I347 WeakPolarHBondContact O-CG1 3.04Å; L343-I347 PolarHBondContact O-N 3.47Å; D344-I347 PolarHBondContact O-N 2.81Å; I347-G351 PolarHBondContact O-N 3.43Å; I347-L352 HydrophobicContact CG2-CB 4.17Å; I347-L352 PolarHBondContact O-N 2.78Å; I347-E353 HydrophobicContact CG2-CG 3.75Å
348K90Very high81.3Confident128 Ų12892.7 Ų92.756%0.55748%0.483SS*.Hα-helixtrans-58.4-53.1173.7-55.3-121.4176.5-123.60111.4D344 V346 L350 G351 E353D344-K348 WeakPolarHBondContact O-CG 3.48Å; D344-K348 PolarHBondContact O-N 2.98Å; V346-K348 VanDerWaalsContact C-N 3.33Å; V346-K348 PolarHBondContact O-N 3.15Å; K348-L350 PolarHBondContact O-N 3.05Å; K348-L350 VanDerWaalsContact O-N 3.15Å; K348-G351 PolarHBondContact O-N 2.87Å; K348-E353 VanDerWaalsContact CD-OE1 3.28Å; K348-E353 WeakPolarHBondContact CD-OE1 3.48Å; K348-E353 VanDerWaalsContact CE-OE1 3.24Å; K348-E353 WeakPolarHBondContact CE-OE1 3.39Å; K348-E353 WeakPolarHBondContact CG-OE1 3.31Å; K348-E353 IonicContact NZ-OE1 3.2Å; K348-E353 PolarHBondContact NZ-OE1 3.16Å
349S91.7Very high79.1Confident90 Ų9095.3 Ų95.363%0.62949%0.486SS*.Hα-helixtrans-64.3-22-173.369.20000114.2T345 V346T345-S349 WeakPolarHBondContact O-CB 3.19Å; T345-S349 PolarHBondContact O-N 3Å; T345-S349 PolarHBondContact O-OG 3Å; V346-S349 WeakPolarHBondContact CA-OG 3.48Å; V346-S349 PolarHBondContact O-N 2.79Å; V346-S349 PolarHBondContact O-OG 3.22Å
350L89.1Confident77Confident113 Ų11396.1 Ų96.159%0.59250%0.499SS*.THydrogen-bonded Turntrans-1024.7178.8-65.1177.7000113.2V346 K348 L352V346-L350 HydrophobicContact CG1-CD1 3.72Å; V346-L350 HydrophobicContact CG1-CG 4.38Å; V346-L350 WeakPolarHBondContact O-CB 3.41Å; V346-L350 WeakPolarHBondContact O-CG 3.4Å; V346-L350 PolarHBondContact O-N 3.44Å; K348-L350 PolarHBondContact O-N 3.05Å; K348-L350 VanDerWaalsContact O-N 3.15Å; L350-L352 HydrophobicContact CB-CD1 3.92Å; L350-L352 HydrophobicContact CB-CG 3.75Å; L350-L352 HydrophobicContact CD1-CD1 4.03Å; L350-L352 PolarHBondContact O-N 3.07Å
351G83.5Confident74.7Confident42 Ų4292 Ų9243%0.43350%0.496SS..THydrogen-bonded Turntrans61.526.1-178.400000113.9I347 K348 E353I347-G351 PolarHBondContact O-N 3.43Å; K348-G351 PolarHBondContact O-N 2.87Å; G351-E353 PolarHBondContact O-N 2.77Å
352L80.3Confident72.5Confident60 Ų6093.5 Ų93.531%0.31450%0.498SS..  trans-79-3.4-175.7-64175.5000113.2I347 L350I347-L352 HydrophobicContact CG2-CB 4.17Å; I347-L352 PolarHBondContact O-N 2.78Å; L350-L352 HydrophobicContact CB-CD1 3.92Å; L350-L352 HydrophobicContact CB-CG 3.75Å; L350-L352 HydrophobicContact CD1-CD1 4.03Å; L350-L352 PolarHBondContact O-N 3.07Å
353E72.8Confident70Confident90 Ų9092 Ų9242%0.42150%0.497SS..SBendtrans-65.9-46.5179.8-59.6-178.2130.700111I347 K348 G351 Q355 Y356I347-E353 HydrophobicContact CG2-CG 3.75Å; K348-E353 VanDerWaalsContact CD-OE1 3.28Å; K348-E353 WeakPolarHBondContact CD-OE1 3.48Å; K348-E353 VanDerWaalsContact CE-OE1 3.24Å; K348-E353 WeakPolarHBondContact CE-OE1 3.39Å; K348-E353 WeakPolarHBondContact CG-OE1 3.31Å; K348-E353 IonicContact NZ-OE1 3.2Å; K348-E353 PolarHBondContact NZ-OE1 3.16Å; G351-E353 PolarHBondContact O-N 2.77Å; E353-Q355 PolarHBondContact O-N 3.39Å; E353-Y356 WeakPolarHBondContact O-CB 3.23Å; E353-Y356 PolarHBondContact O-N 2.84Å; E353-Y356 VanDerWaalsContact O-N 3.08Å
354D61.8Low67.4Low127 Ų12790.4 Ų90.468%0.67950%0.5SS*.THydrogen-bonded Turntrans-68.9-22.7-178.7-64.5-29.8000113.4Y356 A357 I358D354-Y356 PolarHBondContact O-N 2.86Å; D354-Y356 VanDerWaalsContact O-N 3.11Å; D354-A357 PolarHBondContact O-N 3.1Å; D354-A357 VanDerWaalsContact O-N 3.15Å; D354-I358 PolarHBondContact O-N 2.95Å
355Q55.4Low64.8Low76 Ų7694.5 Ų94.536%0.35552%0.522SS..Hα-helixtrans-64.3-15.3174-61-165.21100112.4E353 I358 R359E353-Q355 PolarHBondContact O-N 3.39Å; Q355-I358 PolarHBondContact O-N 3.06Å; Q355-R359 VanDerWaalsContact O-CB 3.23Å; Q355-R359 WeakPolarHBondContact O-CB 3.32Å; Q355-R359 WeakPolarHBondContact O-CD 3.44Å; Q355-R359 WeakPolarHBondContact O-CG 3.49Å; Q355-R359 PolarHBondContact O-N 2.82Å
356Y51.7Low62.3Low193 Ų19393.8 Ų93.876%0.75752%0.518SS*.Hα-helixtrans-65.1-39.6173.6-133.5-84.8000112E353 D354 R359 S360E353-Y356 WeakPolarHBondContact O-CB 3.23Å; E353-Y356 PolarHBondContact O-N 2.84Å; E353-Y356 VanDerWaalsContact O-N 3.08Å; D354-Y356 PolarHBondContact O-N 2.86Å; D354-Y356 VanDerWaalsContact O-N 3.11Å; Y356-R359 PolarHBondContact O-N 3.2Å; Y356-S360 PolarHBondContact O-N 2.89Å; Y356-S360 VanDerWaalsContact O-N 3.1Å; Y356-S360 PolarHBondContact O-OG 3.08Å
357A49.5Very low59.9Low72 Ų7298.7 Ų98.760%0.59554%0.536SS*.Hα-helixtrans-72.9-33.1176.500000112.6D354 R359 S360D354-A357 PolarHBondContact O-N 3.1Å; D354-A357 VanDerWaalsContact O-N 3.15Å; A357-R359 VanDerWaalsContact C-N 3.34Å; A357-S360 PolarHBondContact O-OG 3.3Å
358I48.7Very low57.4Low107 Ų107103 Ų10355%0.54956%0.56SS.*Hα-helixtrans-73.2-28.8174.6-57.7172000111.1D354 Q355 S361 I362D354-I358 PolarHBondContact O-N 2.95Å; Q355-I358 PolarHBondContact O-N 3.06Å; I358-S361 PolarHBondContact O-OG 3.45Å; I358-I362 WeakPolarHBondContact O-CD1 3.33Å; I358-I362 WeakPolarHBondContact O-CG1 3.33Å
359R47.8Very low54.8Low102 Ų102107.2 Ų107.239%0.38557%0.572SS.*Hα-helixtrans-84.8-28.6-179.5-71.1164.3-171.1-164.42.7113.6I297 Q355 Y356 A357 I362 H363I297-R359 HydrophobicContact CD1-CG 4.08Å; Q355-R359 VanDerWaalsContact O-CB 3.23Å; Q355-R359 WeakPolarHBondContact O-CB 3.32Å; Q355-R359 WeakPolarHBondContact O-CD 3.44Å; Q355-R359 WeakPolarHBondContact O-CG 3.49Å; Q355-R359 PolarHBondContact O-N 2.82Å; Y356-R359 PolarHBondContact O-N 3.2Å; A357-R359 VanDerWaalsContact C-N 3.34Å; R359-I362 PolarHBondContact O-N 3.39Å; R359-H363 PolarHBondContact O-N 2.91Å
360S49Very low52.1Low78 Ų78107 Ų10755%0.54557%0.57SS.*Hα-helixtrans-66.3-37.8174.755.10000112.2Y356 A357 I362 H363Y356-S360 PolarHBondContact O-N 2.89Å; Y356-S360 VanDerWaalsContact O-N 3.1Å; Y356-S360 PolarHBondContact O-OG 3.08Å; A357-S360 PolarHBondContact O-OG 3.3Å; S360-I362 VanDerWaalsContact C-N 3.32Å; S360-I362 PolarHBondContact O-N 2.88Å; S360-H363 PolarHBondContact O-N 2.98Å
361S46.4Very low49.5Very low79 Ų79108 Ų10855%0.55258%0.581SS**Hα-helixtrans-65.6-32.4175.365.40000113.2I358 H363 G364I358-S361 PolarHBondContact O-OG 3.45Å; S361-H363 VanDerWaalsContact C-N 3.32Å; S361-H363 PolarHBondContact O-N 3.45Å; S361-G364 PolarHBondContact O-N 3.27Å
362I47.9Very low47.1Very low91 Ų91114.2 Ų114.247%0.46760%0.599SS.*Hα-helixtrans-66.1-33.8176.6-65169000111.6I358 R359 S360I358-I362 WeakPolarHBondContact O-CD1 3.33Å; I358-I362 WeakPolarHBondContact O-CG1 3.33Å; R359-I362 PolarHBondContact O-N 3.39Å; S360-I362 VanDerWaalsContact C-N 3.32Å; S360-I362 PolarHBondContact O-N 2.88Å
363H42.4Very low45Very low113 Ų113119.8 Ų119.852%0.52362%0.621SS.*Hα-helixtrans-77.2-24-179.1-8043000113.9R359 S360 S361 N365 T366R359-H363 PolarHBondContact O-N 2.91Å; S360-H363 PolarHBondContact O-N 2.98Å; S361-H363 VanDerWaalsContact C-N 3.32Å; S361-H363 PolarHBondContact O-N 3.45Å; H363-N365 PolarHBondContact O-N 3.43Å; H363-N365 VanDerWaalsContact O-N 3.16Å; H363-T366 WeakPolarHBondContact CA-OG1 3.44Å; H363-T366 PolarHBondContact O-N 3.46Å; H363-T366 PolarHBondContact O-OG1 3.16Å
364G39.6Very low43.1Very low48 Ų48124.4 Ų124.450%0.49564%0.642SS.*THydrogen-bonded Turntrans-60.6-22.8176.600000114.4S361S361-G364 PolarHBondContact O-N 3.27Å
365N37.4Very low41.7Very low145 Ų145126.6 Ų126.678%0.77565%0.648SS**THydrogen-bonded Turntrans-92.9-3177.5-74-7000114.1H363H363-N365 PolarHBondContact O-N 3.43Å; H363-N365 VanDerWaalsContact O-N 3.16Å
366T41.9Very low40.4Very low79 Ų79134.2 Ų134.249%0.48567%0.674SS.*THydrogen-bonded Turntrans-97.5-14.7-179.5320000115.3H363 N368 R369H363-T366 WeakPolarHBondContact CA-OG1 3.44Å; H363-T366 PolarHBondContact O-N 3.46Å; H363-T366 PolarHBondContact O-OG1 3.16Å; T366-N368 PolarHBondContact O-N 3.03Å; T366-R369 PolarHBondContact O-N 2.87Å
367E41.3Very low39.3Very low174 Ų174131.6 Ų131.681%0.81368%0.678SS**THydrogen-bonded Turntrans-66.6-20.2177.4-67.9-171.314000113.2R369E367-R369 VanDerWaalsContact C-N 3.32Å; E367-R369 PolarHBondContact O-N 3.29Å
368N36.9Very low38.5Very low157 Ų157134.6 Ų134.684%0.8469%0.689SS**THydrogen-bonded Turntrans-82.1-0.6171.6-81.6-28.3000114.6T366 S370T366-N368 PolarHBondContact O-N 3.03Å; N368-S370 PolarHBondContact O-N 3.2Å
369R36.4Very low37.8Very low216 Ų216136.1 Ų136.182%0.81570%0.703SS**SBendtrans-83.277170.4-160.3172.5-168.11743.5109.5T366 E367 T371T366-R369 PolarHBondContact O-N 2.87Å; E367-R369 VanDerWaalsContact C-N 3.32Å; E367-R369 PolarHBondContact O-N 3.29Å; R369-T371 PolarHBondContact O-N 2.92Å
370S35Very low36.8Very low84 Ų84136.3 Ų136.359%0.58772%0.72SS**  trans-45.4131.4173.959.90000110.4N368 H372N368-S370 PolarHBondContact O-N 3.2Å; S370-H372 VanDerWaalsContact C-N 3.27Å; S370-H372 PolarHBondContact O-N 3.44Å
371T34.5Very low36.1Very low134 Ų134138 Ų13882%0.82273%0.732SS**  trans-67.493.1170.351.20000107.9R369 K373R369-T371 PolarHBondContact O-N 2.92Å; T371-K373 PolarHBondContact O-N 3.45Å
372H33.3Very low35.6Very low174 Ų174142.2 Ų142.281%0.80674%0.743SS**  trans-64.276159-103.9-76.9000108.2S370 E374S370-H372 VanDerWaalsContact C-N 3.27Å; S370-H372 PolarHBondContact O-N 3.44Å; H372-E374 PolarHBondContact O-N 2.82Å; H372-E374 VanDerWaalsContact O-N 3.13Å
373K35.6Very low34.6Very low176 Ų176144 Ų14477%0.76575%0.754SS**  trans-65.1106.7162-151.1177.2-169.3177.60103.8T371 Q375T371-K373 PolarHBondContact O-N 3.45Å; K373-Q375 PolarHBondContact O-N 3.02Å
374E32.9Very low34.2Very low188 Ų188145.6 Ų145.688%0.87977%0.771SS**  trans-58.991.6169.1-73.2-177.5131.800108H372 R376H372-E374 PolarHBondContact O-N 2.82Å; H372-E374 VanDerWaalsContact O-N 3.13Å; E374-R376 PolarHBondContact O-N 3.25Å
375Q31.6Very low33.8Very low173 Ų173147.8 Ų147.881%0.80878%0.779SS**  trans-62.6109.2160-78.8-176.2-18.100105.6K373 T377K373-Q375 PolarHBondContact O-N 3.02Å; Q375-T377 PolarHBondContact O-N 3.16Å
376R29.2Very low33.6Very low235 Ų235147.7 Ų147.789%0.88778%0.779SS**  trans-51110163.5-86.7-179.6163.9-177.6-5.9107.8E374 T378E374-R376 PolarHBondContact O-N 3.25Å; R376-T378 PolarHBondContact O-N 3.06Å
377T28.5Very low33.2Very low139 Ų139150 Ų15085%0.85379%0.793SS**  trans-61.298.6171.87.80000108.8Q375 V379Q375-T377 PolarHBondContact O-N 3.16Å; T377-V379 PolarHBondContact O-N 3.31Å
378T32.4Very low32.5Very low135 Ų135147.6 Ų147.683%0.82880%0.795SS**PPolyproline II helixtrans-67.6123.8158.836.40000108.2R376R376-T378 PolarHBondContact O-N 3.06Å
379V33.3Very low32.2Very low139 Ų139143.9 Ų143.984%0.84279%0.794SS**PPolyproline II helixtrans-55.2134.9-176.5178.10000111.2T377T377-V379 PolarHBondContact O-N 3.31Å
380S26.2Very low31.8Very low106 Ų106137 Ų13774%0.74179%0.79SS**PPolyproline II helixtrans-79.7142.7175.758.50000112.4
381S35.9Very low31.6Very low114 Ų114139.2 Ų139.280%0.79780%0.799SS**  trans-129.1101.8158.1-65.20000110
382Q34.7Very low31.3Very low167 Ų167140.6 Ų140.678%0.7880%0.802SS**  trans35.2129.6148.5-67.2-175.7-86.100122.8
383D26.8Very low31Very low129 Ų129135.5 Ų135.569%0.6980%0.796SS**  trans55.3120.8134.2-49.7-36.2000118.9
384T34.1Very low30.7Very low145 Ų145134.6 Ų134.689%0.8980%0.798SS**  -159.2166.86729.50000114.1
385S32Very low30.4Very low95 Ų95133.5 Ų133.566%0.66479%0.793SS**  trans-77.4154.2-16958.60000115.5
386N32.4Very low30.2Very low143 Ų143131.6 Ų131.677%0.76579%0.787SS**  -179.3143.887-97.8-20.6000115.8
387V33.6Very low30.3Very low128 Ų128127 Ų12778%0.77678%0.78SS**  trans72.896139.9-176.40000121.9
388S27.8Very low30.3Very low123 Ų123129.1 Ų129.186%0.8678%0.781SS**  70.8127.2117.7-154.10000125.2
389G29.7Very low30.1Very low79 Ų79130.8 Ų130.881%0.81478%0.779SS**  trans97.7136.4153.300000116.7
390G28.2Very low30.1Very low71 Ų71130.7 Ų130.773%0.73277%0.773SS**  cis168.4125.1-9.700000113.6
391V31.7Very low30.1Very low130 Ų130133.2 Ų133.279%0.78878%0.779SS**  trans59.9110.2149.8-170.40000121.7
392N26.8Very low30Very low163 Ų163134.8 Ų134.887%0.87278%0.778SS**  trans53.5134.4141-55-5.2000124.6
393G27.7Very low29.8Very low67 Ų67133.7 Ų133.769%0.69178%0.775SS**  trans16290.2162.200000112.4
394I29Very low30.1Very low158 Ų158135.1 Ų135.181%0.8178%0.783SS**  86.7109.898.4-70168.2000115.1
395E26Very low29.8Very low164 Ų164134 Ų13477%0.76678%0.777SS**  trans43.9137.8140.7-76.9-179.2140.400126.7
396I28.4Very low29.8Very low133 Ų133133.8 Ų133.868%0.68278%0.775SS**  trans92.1151.6137.2-71.9163.5000120.7
397D30.7Very low29.7Very low138 Ų138135 Ų13574%0.73878%0.781SS**  trans69.1117.2-179.1-61.8-23.1000117.6
398E29.9Very low29.4Very low185 Ų185135.5 Ų135.586%0.86479%0.785SS**  78.4139.161.2-78.1-143.5147.700114.9
399E27.1Very low29.8Very low169 Ų169139 Ų13979%0.7978%0.784SS**  trans63.6123.8176.3-163162-133.500118.9
400N33.5Very low30Very low137 Ų137142.5 Ų142.573%0.73379%0.785SS**  -168.587.5128.1-104-66000111.7L402N400-L402 PolarHBondContact O-N 3.5Å
401N27Very low30.1Very low159 Ų159151.1 Ų151.185%0.8580%0.795SS**  trans-83.693.9151.4-87.1-58.7000107.7
402L32.7Very low30.2Very low148 Ų148150.5 Ų150.578%0.77579%0.792SS**  trans-118.1130.7166-12086.2000112.3N400N400-L402 PolarHBondContact O-N 3.5Å
403I31.6Very low30.5Very low143 Ų143152 Ų15273%0.73379%0.793SS**  trans-87.3112.5175.4-68.6166.5000107.4T405I403-T405 HydrophobicContact CG2-CG2 3.8Å; I403-T405 PolarHBondContact O-N 2.99Å
404D31.9Very low30.7Very low160 Ų160152.7 Ų152.786%0.85680%0.8SS**  trans-75.989.7174.2-119.3-22.3000110.3
405T27.4Very low30.8Very low122 Ų122156.7 Ų156.775%0.74881%0.805SS**  trans-123.478.5169.347.40000111.4I403I403-T405 HydrophobicContact CG2-CG2 3.8Å; I403-T405 PolarHBondContact O-N 2.99Å
406S32.7Very low31.1Very low89 Ų89158.2 Ų158.262%0.62281%0.812SS**  trans-146.398.5163.460.30000112.4
407N29.6Very low31.5Very low169 Ų169158 Ų15890%0.90482%0.817SS**  trans-163.970.9145.4-104.7-31.3000112.2
408T28.6Very low31.8Very low138 Ų138162.6 Ų162.685%0.84782%0.824SS**  trans-134.390.7166.7410000110.3
409K36.2Very low32.2Very low197 Ų197159.4 Ų159.486%0.85782%0.82SS**  trans-155.397.3160.4-114.4167.3-173.1176.30112.5
410N32.4Very low32.6Very low153 Ų153156.6 Ų156.682%0.81882%0.818SS**  trans36.4111.3138.2-55.1-8.6000119.3
411R31.5Very low32.5Very low251 Ų251160.9 Ų160.995%0.94782%0.824SS**  trans-146.8112.2138.5-120.1173.6179.4158.7-0.1111
412T33.5Very low32.7Very low118 Ų118159.4 Ų159.472%0.72482%0.821SS**  trans-100.3165169.239.40000110.5
413H33.5Very low32.6Very low194 Ų194155.7 Ų155.790%0.89882%0.819SS**  trans82.9132.6180-54.4-78.9000116.9
414G32Very low32.5Very low82 Ų82156 Ų15685%0.84583%0.827SS**  trans147.672.6-177.700000111.9
415R29.9Very low32.5Very low241 Ų241153.5 Ų153.591%0.90982%0.822SS**  trans-95.2110.3-176.8176.9-161.9-165.9-155.78.6109.5
416E33.9Very low32.8Very low196 Ų196154.3 Ų154.392%0.91683%0.827SS**  trans-145.5153.1168.4-128.1166.7-132.300114
417V36Very low32.7Very low129 Ų129157 Ų15778%0.78283%0.834SS**  trans-124132.8-158.2175.40000110.1
418R36Very low32.8Very low234 Ų234157.2 Ų157.288%0.88384%0.835SS**  trans-61.8160.2177-66.1175.2164.2160.3-5.4112.7
419P40.1Very low32.7Very low119 Ų119157.3 Ų157.377%0.77383%0.83SS**  -151133.99934.3-14.8000118.7
420S33.8Very low32.6Very low109 Ų109156.6 Ų156.676%0.76283%0.827SS**  50.5107.6125.7-52.80000125.6
421R33Very low32.5Very low227 Ų227157.5 Ų157.586%0.85783%0.826SS**  85.5123.8109.9-143.3-162.5-177.7-175.3-1.8123.5
422T30.5Very low32.6Very low128 Ų128150.3 Ų150.379%0.78581%0.814SS**  trans84.8135.9141.927.60000125.2
423G29.9Very low32.5Very low71 Ų71155.4 Ų155.473%0.73282%0.82SS**  trans113.6111.3167.300000112.6
424V30Very low32.4Very low148 Ų148153.2 Ų153.290%0.89782%0.816SS**  cis10198.625.7-177.10000115
425S32.9Very low32.3Very low109 Ų109156.1 Ų156.176%0.76282%0.817SS**  trans-175.8152.6161.353.50000107.5
426T32.7Very low32.5Very low138 Ų138148 Ų14885%0.84781%0.808SS**  cis-148.8-172.7-17.1-0.40000109.4
427L29.8Very low32.4Very low146 Ų146145.6 Ų145.676%0.76480%0.8SS**  trans-93.1161.5-179.9-76.394.6000115.3
428N31.5Very low32.2Very low174 Ų174150.4 Ų150.493%0.9381%0.806SS**  -150.9153.1123.8-106.1-20.7000111.2
429N26.7Very low32Very low139 Ų139147 Ų14774%0.74381%0.805SS**  trans-148.2148.3-161.5-164.919.8000112.8
430K35.1Very low31.8Very low183 Ų183145 Ų14580%0.79681%0.806SS**  trans-169112.7163.9-103.3178.5178.5-177.80107.2
431E30.7Very low31.8Very low171 Ų171149.2 Ų149.280%0.79981%0.813SS**  61.213289.3-73.3-176.3130.500114.7
432S32.2Very low31.9Very low100 Ų100144.3 Ų144.370%0.69981%0.814SS**  cis-167.2159.21.259.60000114.6
433R31.7Very low31.9Very low225 Ų225141.8 Ų141.885%0.84981%0.814SS**  trans53.3113.9148.3-69.9175.9-179.1171.32123.9
434N31.6Very low32.1Very low149 Ų149146.1 Ų146.180%0.79782%0.815SS**  169.497.7114.3-88-12.7000109.3
435V31.1Very low32.3Very low143 Ų143150.9 Ų150.987%0.86782%0.817SS**  64.5113.388.9-179.90000114.4
436G33.5Very low32.4Very low71 Ų71155.4 Ų155.473%0.73282%0.817SS**  trans178.259.3179.800000115.6
437I30.9Very low32.4Very low145 Ų145156.7 Ų156.774%0.74482%0.818SS**  trans33.5115.7152.5-51.7171.5000119.2
438Y32.7Very low32.7Very low230 Ų230158.5 Ų158.590%0.90282%0.823SS**  -159.6131.9125.8-114.3-75000110.3
439D31.6Very low32.7Very low163 Ų163153.6 Ų153.687%0.87281%0.813SS**  trans-74.5145.9-178.7-74.1-60.7000113.1
440G35.3Very low33.1Very low76 Ų76151.9 Ų151.978%0.78481%0.812SS**  trans-156.5112.6174.700000110.7
441E34.8Very low33.2Very low197 Ų197154.5 Ų154.592%0.92182%0.817SS**  trans-66.7159.2-165.1-69.7-178.611900116.1
442S34.1Very low33.1Very low124 Ų124156.6 Ų156.687%0.86782%0.824SS**  trans-52.6143.6179.656.90000116.2
443G31.9Very low33.2Very low76 Ų76155.2 Ų155.278%0.78483%0.826SS**  trans-165.950.2174.300000115.3R445G443-R445 PolarHBondContact O-N 3.5Å
444Q33.8Very low33.3Very low162 Ų162156.7 Ų156.776%0.75783%0.831SS**  trans-64.6114.2178.2-77.7-169.1-3.500112.4
445R33.6Very low33.2Very low248 Ų248161 Ų16194%0.93684%0.836SS**  trans-100106.4156.9-95.7-173.3161-164.3-6.2110.3G443G443-R445 PolarHBondContact O-N 3.5Å
446R35.7Very low33.4Very low204 Ų204159.2 Ų159.277%0.7783%0.83SS**  trans-79.7135.6171.9-66.1-176.9-177.8-173.3-0.4110.4
447N31.4Very low33.3Very low164 Ų164163.5 Ų163.588%0.87784%0.836SS**  trans-78.9140.3170.3-77.1-46.6000110.9
448H36.2Very low33.2Very low185 Ų185168.1 Ų168.186%0.85685%0.845SS**  trans-121.3119.3157-88.8-78.2000109.3
449G33.2Very low33.4Very low71 Ų71164 Ų16473%0.73284%0.844SS**  trans-74.1179.9149.600000109.3
450S33.5Very low33.4Very low102 Ų102164.3 Ų164.371%0.71385%0.845SS**  cis-165.6152.913.6-177.20000105.7
451R37.6Very low33.1Very low238 Ų238164.8 Ų164.890%0.89885%0.85SS**  177.8164.686.7-86.9-177.3-179.5174.41.1111.2
452F29.8Very low32.9Very low215 Ų215159.1 Ų159.194%0.94385%0.845SS**  trans-65.1154.7-177.9-70.8-108.4000115.4
453G33.2Very low32.6Very low72 Ų72165.1 Ų165.174%0.74285%0.848SS**  trans-171.962.8175.900000118.9
454R33.8Very low32.6Very low255 Ų255165.1 Ų165.196%0.96285%0.849SS**  trans68148.8159.8-60.6-171.3-175.2-102.81.8121.5
455R30.5Very low32.4Very low240 Ų240166.2 Ų166.291%0.90685%0.853SS**  trans-122.9175.6170.1-115.6-175.7176.2-168.5-1.4107.5
456S33.5Very low32.7Very low106 Ų106159.8 Ų159.874%0.74184%0.844SS**  trans81.8145.6171.686.60000115.9
457N33.1Very low32.8Very low160 Ų160156.3 Ų156.386%0.85685%0.845SS**  cis-155.7175.8-7.2-115.57.3000111.4
458W28.1Very low32.9Very low242 Ų242157.4 Ų157.492%0.91784%0.842SS**  trans-62148.7171.6-65.8-5.9000113.8
459T35.8Very low32.9Very low145 Ų145160.7 Ų160.789%0.8985%0.847SS**  -179.3170.3115.3280000112
460N31.5Very low33.1Very low169 Ų169165 Ų16590%0.90485%0.845SS**  trans-74.3154.4-168.1-68.8-40.7000116.1
461G29.8Very low32.9Very low85 Ų85165.6 Ų165.688%0.87684%0.841SS**  trans114.7135.1140.400000116.8
462G30.1Very low32.9Very low79 Ų79163.9 Ų163.981%0.81484%0.839SS**  trans128.488.1160.700000116.9
463R28.1Very low33.2Very low249 Ų249161 Ų16194%0.9483%0.834SS**  trans-0.1126155.6-57.7175.2-171.4-1102.2118.5
464G32.9Very low33.1Very low77 Ų77166.9 Ų166.979%0.79484%0.842SS**  trans-149.696.6157.300000111.6
465H29.5Very low33.2Very low185 Ų185163 Ų16386%0.85684%0.84SS**  trans-74.6151.2169.2-81.1-72000110.7
466P39.6Very low33.4Very low113 Ų113156.8 Ų156.873%0.73483%0.833SS**  trans-121.1117.8142.931.5-21.4000113
467V37.3Very low33.4Very low130 Ų130157 Ų15779%0.78884%0.835SS**  trans59.1110.1135.8-1720000119
468K33Very low33.2Very low188 Ų188156.8 Ų156.882%0.81783%0.833SS**  trans-60.3139.9161.4-62174177.3176.30111.4
469R37.3Very low33.5Very low253 Ų253156 Ų15696%0.95583%0.83SS**  trans-12089.4149.3-94.7-176.2164160.1-3.9110.1
470K36Very low33.4Very low162 Ų162155.1 Ų155.170%0.70482%0.82SS**  trans-69.8157.7145.1-85-171.2140.4-109.80107.9
471D31.3Very low33.3Very low115 Ų115154.2 Ų154.262%0.61582%0.815SS**  cis-155.5154.9-11.8-88.3-39000105.7
472K37Very low33.4Very low201 Ų201159.1 Ų159.187%0.87481%0.812SS**SBendtrans-168.4141.4135.7-109.7169-175.2-1760111.7
473N34.8Very low33.4Very low156 Ų156161.2 Ų161.283%0.83481%0.809SS**  trans70.968.9174.7-58.611.2000116.4
474Q32.4Very low33.7Very low195 Ų195155 Ų15591%0.91180%0.803SS**  trans-89.6137.8131.4-72.5-175.23.200108.4
475L36.2Very low33.5Very low174 Ų174158.4 Ų158.491%0.91180%0.804SS**  trans-118.7117.6156.5-102.7160.7000107.1
476S33.5Very low33.7Very low109 Ų109159.1 Ų159.176%0.76281%0.807SS**  trans-69.3170.9165.8400000110.2
477S34.8Very low33.3Very low111 Ų111159.2 Ų159.278%0.77681%0.806SS**  cis-154.3168.721.356.40000113.5
478N29.2Very low32.9Very low154 Ų154161.5 Ų161.582%0.82481%0.805SS**  trans-65.1155.1168.3-63.4-35.7000114.1
479R34Very low32.9Very low225 Ų225161 Ų16185%0.84981%0.805SS**  trans155.7147149-91-175.6154145.30.5108.5
480D33.4Very low32.5Very low128 Ų128155.1 Ų155.168%0.68479%0.793SS**  cis-153177.9-0.4-106-37000110.3
481L29.8Very low32.2Very low150 Ų150155 Ų15579%0.78580%0.795SS**  trans-80155.2-177.1-56.287.3000114.9
482K32.3Very low32Very low188 Ų188155.4 Ų155.482%0.81780%0.801SS**  trans164.9113.1132.3-91.7176.2175.6-176.40110.3
483T29.6Very low31.6Very low122 Ų122153 Ų15375%0.74880%0.798SS**  56.511185.364.90000116.5
484S34.5Very low31.4Very low119 Ų119150.4 Ų150.483%0.83279%0.788SS**  -175.1140.6123.1450000111.8
485D27.4Very low31.1Very low149 Ų149148.5 Ų148.580%0.79778%0.784SS**  trans-67.9161.6168.5-57.9-82.4000112.4
486E34Very low31Very low200 Ų200145.5 Ų145.594%0.93578%0.778SS**  -162.1165.3122.6-117.3177.7-170.400113.2
487T31.2Very low30.7Very low114 Ų114147.4 Ų147.470%0.69978%0.779SS**  trans-129.7154.1-155.7-32.70000112.2
488K29.1Very low30.7Very low178 Ų178150.1 Ų150.177%0.77478%0.784SS**  trans74.8127.4166.7-52.3175.1179.6174.90116.9
489H33.1Very low30.9Very low178 Ų178151 Ų15182%0.82478%0.783SS**  -165.6168.591.3-107.8-83.5000112.7
490N29.4Very low30.5Very low129 Ų129147.7 Ų147.769%0.6978%0.783SS**  trans-83.8171.9-166.2-83.10.2000115.7
491E28.2Very low30.5Very low160 Ų160146.8 Ų146.875%0.74879%0.786SS**  trans87.6112.4138.1-90.1150.3-131.800121.5
492V28.9Very low30.4Very low123 Ų123147.4 Ų147.475%0.74579%0.789SS**  53.8111.6125.2-178.50000118
493N28.8Very low30.5Very low150 Ų150146.9 Ų146.980%0.80279%0.79SS**  -153.2155.5114.8-133.1-29.5000114.9
494T29Very low30.7Very low102 Ų102146.2 Ų146.263%0.62679%0.788SS**  trans-86.7168.5178450000113.2
495N26Very low30.3Very low155 Ų155145.3 Ų145.383%0.82979%0.787SS**  trans74.591.1159.7-57.1-23.4000119
496S35.3Very low30.6Very low112 Ų112144.7 Ų144.778%0.78379%0.789SS**  trans-130.298.2138.952.20000107.7
497N27.5Very low30.4Very low148 Ų148143.3 Ų143.379%0.79178%0.782SS**  56.469.479-151.89.9000112.2
498L33.6Very low30.4Very low169 Ų169143.7 Ų143.789%0.88579%0.79SS**  trans-105.7108.1163.6-86.1170.9000108.8
499Q34.2Very low30.5Very low171 Ų171141 Ų14180%0.79979%0.788SS**  trans-66.5152.2-179.6-70.3164.7-7600112.1S501Q499-S501 PolarHBondContact O-N 3.32Å
500N26.1Very low30.5Very low157 Ų157143.3 Ų143.384%0.8479%0.79SS**  trans-52.5125.2172.7-63-49.3000111.9
501S31.9Very low30.6Very low108 Ų108144.6 Ų144.676%0.75580%0.795SS**  trans-119.8106.9152.6-174.50000108Q499 E503Q499-S501 PolarHBondContact O-N 3.32Å; S501-E503 PolarHBondContact O-N 3.01Å
502L28.8Very low30.8Very low164 Ų164142.4 Ų142.486%0.85979%0.792SS**  trans-76.4107.6164.4-81.585.5000107.7
503E34Very low31Very low176 Ų176140.9 Ų140.982%0.82279%0.785SS**  trans-89.2145.4158.3-99.2-163.1134.500110.5S501S501-E503 PolarHBondContact O-N 3.01Å
504P33.5Very low31.1Very low109 Ų109139 Ų13971%0.70879%0.79SS**  trans-76.2161.1-164.330.8-36.3000113.6V506P504-V506 PolarHBondContact O-N 2.82Å
505A26.8Very low31.3Very low100 Ų100137.7 Ų137.783%0.82679%0.79SS**  trans-60.3109.6176.500000111.4E507A505-E507 PolarHBondContact O-N 2.72Å; A505-E507 VanDerWaalsContact O-N 3.13Å
506V34.3Very low31.4Very low136 Ų136137.8 Ų137.882%0.82479%0.785SS**  trans-71.5106.3170.9179.20000108.6P504P504-V506 PolarHBondContact O-N 2.82Å
507E29.6Very low31.2Very low171 Ų171137.7 Ų137.780%0.79979%0.792SS**  trans-52.6144.7171.6-76.5-174.5115.600111.5A505 T509A505-E507 PolarHBondContact O-N 2.72Å; A505-E507 VanDerWaalsContact O-N 3.13Å; E507-T509 VanDerWaalsContact C-N 3.27Å; E507-T509 PolarHBondContact O-N 3.13Å; E507-T509 PolarHBondContact O-OG1 2.74Å
508S31.3Very low31.5Very low122 Ų122134.7 Ų134.785%0.85378%0.782SS**  trans-73.882.7178-1630000110.2R510S508-R510 PolarHBondContact O-N 2.93Å
509T31.2Very low31.6Very low121 Ų121135 Ų13574%0.74281%0.809SS**  trans-66.395.4177-19.50000109.2E507 I511E507-T509 VanDerWaalsContact C-N 3.27Å; E507-T509 PolarHBondContact O-N 3.13Å; E507-T509 PolarHBondContact O-OG1 2.74Å; T509-I511 PolarHBondContact O-N 3.06Å
510R31.7Very low31.5Very low227 Ų227133.3 Ų133.386%0.85781%0.81SS**  trans-57.1113.2163.8-91-178.1166.7174.2-3.7107.7S508 T512S508-R510 PolarHBondContact O-N 2.93Å; R510-T512 VanDerWaalsContact C-N 3.33Å; R510-T512 PolarHBondContact O-N 2.94Å
511I32.6Very low31.8Very low155 Ų155132 Ų13280%0.79581%0.808SS**  trans-68.396.7170.4-58.6173.8000107T509T509-I511 PolarHBondContact O-N 3.06Å
512T32Very low31.8Very low114 Ų114133.3 Ų133.370%0.69981%0.811SS**  trans-60.9134.6166.142.60000109R510 A514R510-T512 VanDerWaalsContact C-N 3.33Å; R510-T512 PolarHBondContact O-N 2.94Å; T512-A514 PolarHBondContact O-N 3.18Å
513P33.6Very low31.9Very low92 Ų92131.5 Ų131.560%0.59781%0.809SS**  trans-63.9126.2170.927.7-32.4000108.4A515P513-A515 PolarHBondContact O-N 3.44Å
514A31.1Very low31.8Very low109 Ų109128.8 Ų128.890%0.90181%0.808SS**  trans-63.1106.217600000109.7T512T512-A514 PolarHBondContact O-N 3.18Å
515A32.8Very low31.7Very low75 Ų75130.1 Ų130.162%0.6281%0.814SS**  trans-88.6150.8162.800000109P513P513-A515 PolarHBondContact O-N 3.44Å
516E28.3Very low32Very low157 Ų157132.2 Ų132.273%0.73481%0.813SS**  trans60.7106.4166-59.9-172.6140.800118.2
517A30.8Very low31.9Very low111 Ų111131.9 Ų131.992%0.91781%0.813SS**  trans-124.287.1132.600000107.3
518S33Very low32.1Very low84 Ų84128.7 Ų128.759%0.58781%0.814SS**  trans-97.4126.4157.8-77.50000107.8
519A36.4Very low32.1Very low177 Ų177129.3 Ų129.3100%1.46381%0.81SS**  trans-141.90165.100000107.1

Retrieved 519 of 519 residues in 289.9 ms (Link to these results)