A0A077ZIM0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIM0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1V40.1Very low41Very low198 Ų198138.7 Ų138.7100%1.286%0.86SS**  092.60-1790000106.6
2T40.3Very low40.5Very low145 Ų145134.7 Ų134.789%0.8984%0.841SS**  trans-128.5116.8-179.5-51.30000106.9G4T2-G4 PolarHBondContact O-N 3.26Å
3A39.7Very low40.5Very low95 Ų95134.1 Ų134.179%0.78584%0.836SS**  trans-58.2127.3-167.500000112.1Q5A3-Q5 PolarHBondContact O-N 2.91Å
4G39.5Very low40.2Very low79 Ų79137.1 Ų137.181%0.81483%0.834SS**  trans-71.4109.316500000109.2T2T2-G4 PolarHBondContact O-N 3.26Å
5Q41.5Very low39.9Very low188 Ų188132.5 Ų132.588%0.87983%0.825SS**  trans-89.2109.5174.3-163166.31.700108A3A3-Q5 PolarHBondContact O-N 2.91Å
6T43.8Very low39.8Very low128 Ų128136.8 Ų136.879%0.78583%0.829SS**PPolyproline II helixtrans-69.6127.6174.832.40000110.6
7P52.4Low39.7Very low121 Ų121135.6 Ų135.679%0.78683%0.828SS**PPolyproline II helixtrans-78.8139.9168.629.4-29.7000110.5
8P47.1Very low39.9Very low128 Ų128135.4 Ų135.483%0.83183%0.827SS**PPolyproline II helixtrans-84.2139.5-175.432-32.4000112.9
9G36.2Very low39.9Very low69 Ų69133.7 Ų133.771%0.71183%0.828SS**  trans62.485.2133.600000118.2L11G9-L11 PolarHBondContact O-N 3.2Å; G9-L11 VanDerWaalsContact O-N 3.13Å
10F34.9Very low39.8Very low211 Ų211130.5 Ų130.593%0.92582%0.822SS**  trans-62.5102.6160.3-119.1-104.4000110.1S12F10-S12 PolarHBondContact O-N 3.1Å
11L35.1Very low39.7Very low164 Ų164135.6 Ų135.686%0.85983%0.826SS**  trans-84.195.7164.6-112.794000108.6G9 V13G9-L11 PolarHBondContact O-N 3.2Å; G9-L11 VanDerWaalsContact O-N 3.13Å; L11-V13 PolarHBondContact O-N 3.15Å
12S35.1Very low39.8Very low90 Ų90137.6 Ų137.663%0.62981%0.812SS**  trans-86.599.7175.1-1660000110.4F10 H14F10-S12 PolarHBondContact O-N 3.1Å; S12-H14 PolarHBondContact O-N 2.81Å; S12-H14 PolarHBondContact O-ND1 3.49Å; S12-H14 VanDerWaalsContact O-ND1 3.16Å
13V41.3Very low39.9Very low127 Ų127139.1 Ų139.177%0.7781%0.809SS**  trans-71.5114.4176.6175.90000109.4L11 G15L11-V13 PolarHBondContact O-N 3.15Å; V13-G15 PolarHBondContact O-N 2.82Å
14H36.5Very low39.9Very low176 Ų176144.1 Ų144.182%0.81581%0.813SS**  trans-75.183.9175-72.165.2000110.4S12 K16S12-H14 PolarHBondContact O-N 2.81Å; S12-H14 PolarHBondContact O-ND1 3.49Å; S12-H14 VanDerWaalsContact O-ND1 3.16Å; H14-K16 PolarHBondContact O-N 3.21Å
15G34.7Very low40Very low68 Ų68146 Ų14670%0.70181%0.81SS**  trans-81.6108.7170.800000111.4V13 S17V13-G15 PolarHBondContact O-N 2.82Å; G15-S17 PolarHBondContact O-N 3.46Å; G15-S17 VanDerWaalsContact O-N 3.11Å
16K38.5Very low40.1Very low202 Ų202141.4 Ų141.488%0.87881%0.805SS**  trans-66.1104.7174.3-66.3178.7178.3179.10109.8H14 T18H14-K16 PolarHBondContact O-N 3.21Å; K16-T18 PolarHBondContact O-N 2.85Å
17S38.8Very low40.4Very low117 Ų117140.4 Ų140.482%0.81880%0.803SS**  trans-72.5104.9173.9175.70000110.2G15 A19G15-S17 PolarHBondContact O-N 3.46Å; G15-S17 VanDerWaalsContact O-N 3.11Å; S17-A19 PolarHBondContact O-N 2.95Å
18T42.6Very low40.4Very low132 Ų132146.8 Ų146.881%0.8181%0.812SS**  trans-68.6115.6168.840.80000109.2K16 G20K16-T18 PolarHBondContact O-N 2.85Å; T18-G20 PolarHBondContact O-N 2.94Å
19A39.2Very low41Very low103 Ų103142.7 Ų142.785%0.85179%0.793SS**  trans-68.177.8179.700000111.2S17 R21S17-A19 PolarHBondContact O-N 2.95Å; A19-R21 PolarHBondContact O-N 3.37Å; A19-R21 VanDerWaalsContact O-N 3.11Å
20G37.9Very low42.3Very low68 Ų68145.7 Ų145.770%0.70180%0.8SS**  trans-66.4104.4167.400000109.6T18 R22T18-G20 PolarHBondContact O-N 2.94Å; G20-R22 VanDerWaalsContact C-N 3.34Å; G20-R22 PolarHBondContact O-N 2.85Å
21R38.9Very low43.9Very low238 Ų238138.7 Ų138.790%0.89879%0.787SS**  trans-49.690.1172.3-178.9-172.3-98.6-157.4-5.3110.1A19 Q23A19-R21 PolarHBondContact O-N 3.37Å; A19-R21 VanDerWaalsContact O-N 3.11Å; R21-Q23 PolarHBondContact O-N 3.1Å
22R42.5Very low45.6Very low240 Ų240133.7 Ų133.791%0.90676%0.763SS**  trans-61.4104.8170.8-103.9175.8153-174.2-6.1107.8G20 K24G20-R22 VanDerWaalsContact C-N 3.34Å; G20-R22 PolarHBondContact O-N 2.85Å; R22-K24 PolarHBondContact O-N 3.28Å; R22-K24 VanDerWaalsContact O-N 3.15Å
23Q40.7Very low47.7Very low177 Ų177133.3 Ų133.383%0.82776%0.759SS**PPolyproline II helixtrans-55.9117.6164-73.4178.9-1700107.3R21 P25R21-Q23 PolarHBondContact O-N 3.1Å; Q23-P25 WeakPolarHBondContact O-CD 3.44Å
24K40.3Very low49.4Very low200 Ų200135.4 Ų135.487%0.8777%0.766SS**PPolyproline II helixtrans-57.2119.5172.9-98.5-178.3173.5-179.80107.3R22 A26R22-K24 PolarHBondContact O-N 3.28Å; R22-K24 VanDerWaalsContact O-N 3.15Å; K24-A26 PolarHBondContact O-N 3.37Å
25P42.1Very low51.8Low118 Ų118134.9 Ų134.977%0.76677%0.767SS**PPolyproline II helixtrans-58.9131.6172.224.2-31.2000108.1Q23 S27Q23-P25 WeakPolarHBondContact O-CD 3.44Å; P25-S27 PolarHBondContact O-N 2.7Å; P25-S27 VanDerWaalsContact O-N 3.13Å
26A44.5Very low54.2Low93 Ų93134.1 Ų134.177%0.76975%0.747SS**PPolyproline II helixtrans-46.7121.517500000108.8K24 R28K24-A26 PolarHBondContact O-N 3.37Å; A26-R28 PolarHBondContact O-N 3.49Å
27S48.8Very low56.7Low107 Ų107132.3 Ų132.375%0.74874%0.739SS**  trans-53100.1-176.153.30000110.2P25 G29P25-S27 PolarHBondContact O-N 2.7Å; P25-S27 VanDerWaalsContact O-N 3.13Å; S27-G29 PolarHBondContact O-N 2.88Å
28R53.3Low59Low254 Ų254131.3 Ų131.396%0.95873%0.73SS**SBendtrans-68.790.1166.5-68.8-174.9-170.11742.8106.4A26A26-R28 PolarHBondContact O-N 3.49Å
29G59.3Low61.1Low42 Ų42133.7 Ų133.743%0.43372%0.724SS.*SBendtrans77.4157.3-178.400000114.4S27 G31S27-G29 PolarHBondContact O-N 2.88Å; G29-G31 PolarHBondContact O-N 2.99Å
30P63.9Low63.4Low133 Ų133133.8 Ų133.886%0.86471%0.708SS**  trans-60.6113.3166.625-29.2000107.2T32P30-T32 PolarHBondContact O-N 2.79Å
31G68.5Low65.7Low64 Ų64134 Ų13466%0.6669%0.692SS**PPolyproline II helixtrans-51.2143.6171.200000109.4G29G29-G31 PolarHBondContact O-N 2.99Å
32T69.8Low67.9Low58 Ų58132 Ų13236%0.35669%0.685SS.*PPolyproline II helixtrans-53.3126.4174.840.90000109.3P30 S44P30-T32 PolarHBondContact O-N 2.79Å; T32-S44 VanDerWaalsContact CG2-OG 3.31Å; T32-S44 WeakPolarHBondContact CG2-OG 3.42Å
33P79.6Confident70.1Confident82 Ų82126.3 Ų126.353%0.53266%0.664SS.*PPolyproline II helixtrans-63.1146.7-178.325.4-33.3000110.9I35 I36P33-I35 PolarHBondContact O-N 3.36Å; P33-I36 HydrophobicContact CG-CB 4.41Å; P33-I36 HydrophobicContact CG-CD1 4.27Å
34D77Confident72.3Confident171 Ų171118.8 Ų118.891%0.91463%0.631SS**SBendtrans-62.1-30-176.2-64.4-26.4000112.9
35I85.9Confident74.5Confident166 Ų166114.6 Ų114.685%0.85162%0.616SS**SBendtrans-110.8102.2178.5-52.8174.1000108.4P33P33-I35 PolarHBondContact O-N 3.36Å
36I86.9Confident76.8Confident52 Ų52113.8 Ų113.827%0.26760%0.604SS.*  trans-143.8144.9178.9-169.4164.7000110.1P33 M40 L41P33-I36 HydrophobicContact CG-CB 4.41Å; P33-I36 HydrophobicContact CG-CD1 4.27Å; I36-M40 HydrophobicContact CD1-CB 3.68Å; I36-M40 HydrophobicContact CG1-CB 3.47Å; I36-M40 VanDerWaalsContact CG1-CB 3.47Å; I36-L41 HydrophobicContact CG2-CB 3.89Å; I36-L41 HydrophobicContact CG2-CD1 4.01Å; I36-L41 HydrophobicContact CG2-CG 4.44Å
37F91.2Very high78.8Confident163 Ų163113 Ų11372%0.71559%0.586SS**  trans-60.4141.9176.9-64.5-74000110.7R39 M40 L41F37-R39 PolarHBondContact O-N 2.76Å; F37-M40 HydrophobicContact CB-CB 4.48Å; F37-M40 HydrophobicContact CB-CG 4.49Å; F37-M40 WeakPolarHBondContact O-CA 3.41Å; F37-M40 PolarHBondContact O-N 3.43Å; F37-L41 PolarHBondContact O-N 2.98Å
38P85.3Confident80.7Confident96 Ų96113.1 Ų113.162%0.62358%0.578SS**Hα-helixtrans-52.6-34.6-178.6-29.635000114.1L41 R42P38-L41 PolarHBondContact O-N 3.01Å; P38-R42 WeakPolarHBondContact O-CG 3.4Å; P38-R42 PolarHBondContact O-N 2.88Å; P38-R42 VanDerWaalsContact O-N 3.1Å
39R86.7Confident82.4Confident183 Ų183104.9 Ų104.969%0.69156%0.564SS**Hα-helixtrans-64.1-45.7174.7-175.1176.6-178.689-0.3112F37 L41 R42 W43F37-R39 PolarHBondContact O-N 2.76Å; R39-L41 VanDerWaalsContact C-N 3.35Å; R39-R42 PolarHBondContact O-N 2.87Å; R39-W43 PolarHBondContact O-N 2.95Å
40M87.3Confident83.9Confident104 Ų104110.2 Ų110.251%0.51257%0.573SS.*Hα-helixtrans-70.6-32.6179.7-72.1-59.5-67.500111.7I36 F37 W43 S44I36-M40 HydrophobicContact CD1-CB 3.68Å; I36-M40 HydrophobicContact CG1-CB 3.47Å; I36-M40 VanDerWaalsContact CG1-CB 3.47Å; F37-M40 HydrophobicContact CB-CB 4.48Å; F37-M40 HydrophobicContact CB-CG 4.49Å; F37-M40 WeakPolarHBondContact O-CA 3.41Å; F37-M40 PolarHBondContact O-N 3.43Å; M40-W43 PolarHBondContact O-N 2.91Å; M40-S44 WeakPolarHBondContact O-CB 3.35Å; M40-S44 PolarHBondContact O-N 3.44Å; M40-S44 PolarHBondContact O-OG 3Å
41L86.7Confident85.2Confident72 Ų72111.3 Ų111.338%0.37758%0.577SS.*Hα-helixtrans-61-45.1171-175.760.9000112I36 F37 P38 R39 W43 S44 I45I36-L41 HydrophobicContact CG2-CB 3.89Å; I36-L41 HydrophobicContact CG2-CD1 4.01Å; I36-L41 HydrophobicContact CG2-CG 4.44Å; F37-L41 PolarHBondContact O-N 2.98Å; P38-L41 PolarHBondContact O-N 3.01Å; R39-L41 VanDerWaalsContact C-N 3.35Å; L41-W43 VanDerWaalsContact C-N 3.34Å; L41-W43 PolarHBondContact O-N 2.8Å; L41-S44 WeakPolarHBondContact CA-OG 2.78Å; L41-S44 PolarHBondContact O-N 3.18Å; L41-S44 PolarHBondContact O-OG 2.76Å; L41-I45 HydrophobicContact CD1-CD1 4.29Å; L41-I45 HydrophobicContact CD1-CG1 4.46Å; L41-I45 HydrophobicContact CG-CD1 4.07Å; L41-I45 VanDerWaalsContact O-CG1 3.31Å; L41-I45 WeakPolarHBondContact O-CG1 3.27Å; L41-I45 PolarHBondContact O-N 3.36Å
42R86Confident86Confident196 Ų196114.1 Ų114.174%0.7457%0.571SS**Hα-helixtrans-61.1-44.1177.2-72.6-179.8-173.8174.62.6111.7P38 R39 M46P38-R42 WeakPolarHBondContact O-CG 3.4Å; P38-R42 PolarHBondContact O-N 2.88Å; P38-R42 VanDerWaalsContact O-N 3.1Å; R39-R42 PolarHBondContact O-N 2.87Å; R42-M46 PolarHBondContact O-N 3.47Å; R42-M46 VanDerWaalsContact O-N 3.11Å
43W87.6Confident87.1Confident122 Ų122120.1 Ų120.146%0.46259%0.592SS.*Hα-helixtrans-65.7-38.2175.6-73.8113.2000112.5R39 M40 L41 M46 L47R39-W43 PolarHBondContact O-N 2.95Å; M40-W43 PolarHBondContact O-N 2.91Å; L41-W43 VanDerWaalsContact C-N 3.34Å; L41-W43 PolarHBondContact O-N 2.8Å; W43-M46 HydrophobicContact CE3-SD 3.79Å; W43-M46 HydrophobicContact CZ3-SD 3.61Å; W43-M46 PolarHBondContact O-N 2.86Å; W43-L47 WeakPolarHBondContact O-CB 3.46Å; W43-L47 VanDerWaalsContact O-CG 3.27Å; W43-L47 WeakPolarHBondContact O-CG 3.42Å; W43-L47 PolarHBondContact O-N 3.45Å
44S87.6Confident87.3Confident19 Ų19123.9 Ų123.913%0.13361%0.607CS.*Hα-helixtrans-66.6-41.9179.270.30000112.1T32 M40 L41 M46 L47 N48T32-S44 VanDerWaalsContact CG2-OG 3.31Å; T32-S44 WeakPolarHBondContact CG2-OG 3.42Å; M40-S44 WeakPolarHBondContact O-CB 3.35Å; M40-S44 PolarHBondContact O-N 3.44Å; M40-S44 PolarHBondContact O-OG 3Å; L41-S44 WeakPolarHBondContact CA-OG 2.78Å; L41-S44 PolarHBondContact O-N 3.18Å; L41-S44 PolarHBondContact O-OG 2.76Å; S44-M46 VanDerWaalsContact C-N 3.32Å; S44-M46 PolarHBondContact O-N 3.33Å; S44-L47 PolarHBondContact O-N 2.96Å; S44-N48 WeakPolarHBondContact O-CB 3.25Å; S44-N48 PolarHBondContact O-N 3.39Å; S44-N48 PolarHBondContact O-ND2 3.07Å
45I87.1Confident87.9Confident112 Ų112120 Ų12057%0.57459%0.589SS**Hα-helixtrans-59-46.7173.5-66.7166.2000110.1L41 L47 N48L41-I45 HydrophobicContact CD1-CD1 4.29Å; L41-I45 HydrophobicContact CD1-CG1 4.46Å; L41-I45 HydrophobicContact CG-CD1 4.07Å; L41-I45 VanDerWaalsContact O-CG1 3.31Å; L41-I45 WeakPolarHBondContact O-CG1 3.27Å; L41-I45 PolarHBondContact O-N 3.36Å; I45-L47 PolarHBondContact O-N 3.02Å; I45-N48 PolarHBondContact O-N 2.91Å
46M89Confident88.1Confident101 Ų101120 Ų12050%0.49859%0.585SS.*Hα-helixtrans-60.9-44.8178.5-173.7-170-177.400112R42 W43 S44 A49 Y50R42-M46 PolarHBondContact O-N 3.47Å; R42-M46 VanDerWaalsContact O-N 3.11Å; W43-M46 HydrophobicContact CE3-SD 3.79Å; W43-M46 HydrophobicContact CZ3-SD 3.61Å; W43-M46 PolarHBondContact O-N 2.86Å; S44-M46 VanDerWaalsContact C-N 3.32Å; S44-M46 PolarHBondContact O-N 3.33Å; M46-A49 PolarHBondContact O-N 3.48Å; M46-Y50 VanDerWaalsContact O-CD2 3.29Å; M46-Y50 WeakPolarHBondContact O-CD2 3.48Å; M46-Y50 WeakPolarHBondContact O-CE2 3.27Å
47L88.2Confident88.2Confident76 Ų76122.9 Ų122.940%0.39860%0.596SS.*Hα-helixtrans-73.3-28.9-176.9-71.5173.6000112.9W43 S44 I45 A49 Y50 F52W43-L47 WeakPolarHBondContact O-CB 3.46Å; W43-L47 VanDerWaalsContact O-CG 3.27Å; W43-L47 WeakPolarHBondContact O-CG 3.42Å; W43-L47 PolarHBondContact O-N 3.45Å; S44-L47 PolarHBondContact O-N 2.96Å; I45-L47 PolarHBondContact O-N 3.02Å; L47-A49 PolarHBondContact O-N 2.9Å; L47-Y50 PolarHBondContact O-N 3.16Å; L47-Y50 VanDerWaalsContact O-O 3.05Å; L47-F52 HydrophobicContact CB-CD1 4.49Å; L47-F52 HydrophobicContact CB-CE1 3.86Å; L47-F52 HydrophobicContact CB-CZ 4.39Å
48N88Confident88.2Confident109 Ų109118.2 Ų118.258%0.58358%0.582SS**Hα-helixtrans-64.6-19.7176.7-77.6-17.2000113.4S44 I45 Y50S44-N48 WeakPolarHBondContact O-CB 3.25Å; S44-N48 PolarHBondContact O-N 3.39Å; S44-N48 PolarHBondContact O-ND2 3.07Å; I45-N48 PolarHBondContact O-N 2.91Å; N48-Y50 PolarHBondContact O-N 3.26Å
49A88.7Confident88.1Confident81 Ų81116.5 Ų116.567%0.66958%0.582SS**THydrogen-bonded Turntrans-71.8-12.9173.300000113.1M46 L47M46-A49 PolarHBondContact O-N 3.48Å; L47-A49 PolarHBondContact O-N 2.9Å
50Y90.4Very high88.1Confident155 Ų155112.8 Ų112.861%0.60859%0.59SS**SBendtrans-121.6145-175.2-57.6-86.3000111.1M46 L47 N48M46-Y50 VanDerWaalsContact O-CD2 3.29Å; M46-Y50 WeakPolarHBondContact O-CD2 3.48Å; M46-Y50 WeakPolarHBondContact O-CE2 3.27Å; L47-Y50 PolarHBondContact O-N 3.16Å; L47-Y50 VanDerWaalsContact O-O 3.05Å; N48-Y50 PolarHBondContact O-N 3.26Å
51T91.4Very high88.1Confident155 Ų155113.9 Ų113.995%0.95159%0.594SS**  trans-85.4115.6164.8-57.30000108.1
52F86.4Confident88Confident124 Ų124114 Ų11454%0.54460%0.595SS.*  trans-129.2153.5-178.766-88.2000112.2L47L47-F52 HydrophobicContact CB-CD1 4.49Å; L47-F52 HydrophobicContact CB-CE1 3.86Å; L47-F52 HydrophobicContact CB-CZ 4.39Å
53K91.2Very high88.1Confident184 Ų184106.7 Ų106.780%0.858%0.58SS**  trans-115.3118.7171.3-178.8-179.8178.3177.70108.3V55K53-V55 HydrophobicContact CD-CG2 4.23Å; K53-V55 HydrophobicContact CG-CG2 4.06Å; K53-V55 PolarHBondContact O-N 2.79Å
54L85Confident88.1Confident160 Ų160106.2 Ų106.284%0.83859%0.587SS**  trans-76.6117.9176-170.363.5000109.4
55V89.8Confident88Confident89 Ų89107.6 Ų107.654%0.53960%0.6SS.*  trans-120.9115.2177.1-178.90000108.2K53K53-V55 HydrophobicContact CD-CG2 4.23Å; K53-V55 HydrophobicContact CG-CG2 4.06Å; K53-V55 PolarHBondContact O-N 2.79Å
56H89.2Confident87.9Confident166 Ų166105.8 Ų105.877%0.76959%0.591SS**  trans-69.7133.5172.6174.2-103.1000110
57K88.6Confident87.8Confident113 Ų113103.7 Ų103.749%0.49159%0.589SS.*  trans-125.4138.1169.7-63.8-168.6177.6-174.50108.2L62K57-L62 HydrophobicContact CB-CG 4.45Å; K57-L62 WeakPolarHBondContact O-CD1 3.43Å
58P91.1Very high87.6Confident66 Ų66106.4 Ų106.443%0.42960%0.604SS.*  trans-62.2149.4177.426.3-33.5000111A60 Q61P58-A60 PolarHBondContact O-N 2.87Å; P58-A60 VanDerWaalsContact O-N 3.07Å; P58-Q61 HydrophobicContact CG-CB 4.5Å; P58-Q61 HydrophobicContact CG-CG 4.12Å; P58-Q61 PolarHBondContact O-N 3.07Å
59G83.6Confident87.5Confident60 Ų60105.7 Ų105.762%0.61961%0.607SS**G310 helixtrans-49-37.9-175.300000114.8Q61 L62G59-Q61 PolarHBondContact O-N 3.08Å; G59-Q61 VanDerWaalsContact O-N 3.15Å; G59-L62 PolarHBondContact O-N 3.49Å
60A86.8Confident87.2Confident104 Ų104110.4 Ų110.486%0.8661%0.608SS**G310 helixtrans-61.3-23.1177.700000113.9P58P58-A60 PolarHBondContact O-N 2.87Å; P58-A60 VanDerWaalsContact O-N 3.07Å
61Q86.8Confident86.8Confident127 Ų127110.3 Ų110.359%0.59361%0.611SS**G310 helixtrans-97.8-0.7177.8-63.5-1797.800113.3P58 G59P58-Q61 HydrophobicContact CG-CB 4.5Å; P58-Q61 HydrophobicContact CG-CG 4.12Å; P58-Q61 PolarHBondContact O-N 3.07Å; G59-Q61 PolarHBondContact O-N 3.08Å; G59-Q61 VanDerWaalsContact O-N 3.15Å
62L84.5Confident86Confident76 Ų76107.1 Ų107.140%0.39860%0.595SS.*  trans-95.98.2178.5-77.4144.2000112.7K57 G59 N64 A65 D66K57-L62 HydrophobicContact CB-CG 4.45Å; K57-L62 WeakPolarHBondContact O-CD1 3.43Å; G59-L62 PolarHBondContact O-N 3.49Å; L62-N64 PolarHBondContact O-N 3.31Å; L62-N64 VanDerWaalsContact O-N 3.11Å; L62-A65 HydrophobicContact CD2-CB 4.32Å; L62-A65 WeakPolarHBondContact O-CB 3.5Å; L62-A65 PolarHBondContact O-N 3.47Å; L62-D66 PolarHBondContact O-N 3.48Å
63G88.2Confident85.3Confident42 Ų42111.8 Ų111.843%0.43361%0.609SS.*Hα-helixtrans-56.4-30.5-17600000113.9A67G63-A67 VanDerWaalsContact O-CB 3.24Å; G63-A67 WeakPolarHBondContact O-CB 3.18Å; G63-A67 PolarHBondContact O-N 3.43Å
64N87.6Confident84.3Confident111 Ų111110.3 Ų110.359%0.59461%0.61SS**Hα-helixtrans-66.8-44.3173.363.9-33.7000112.6L62 D66 L68L62-N64 PolarHBondContact O-N 3.31Å; L62-N64 VanDerWaalsContact O-N 3.11Å; N64-D66 VanDerWaalsContact C-N 3.35Å; N64-L68 WeakPolarHBondContact O-CB 3.44Å; N64-L68 VanDerWaalsContact O-CG 3.27Å; N64-L68 WeakPolarHBondContact O-CG 3.49Å; N64-L68 PolarHBondContact O-N 3.21Å
65A85.7Confident83.3Confident49 Ų49105.5 Ų105.541%0.40559%0.593SS.*Hα-helixtrans-65.6-41.3176.500000110.7L62 S69L62-A65 HydrophobicContact CD2-CB 4.32Å; L62-A65 WeakPolarHBondContact O-CB 3.5Å; L62-A65 PolarHBondContact O-N 3.47Å; A65-S69 VanDerWaalsContact O-CB 3.26Å; A65-S69 WeakPolarHBondContact O-CB 3.32Å; A65-S69 PolarHBondContact O-N 3.22Å; A65-S69 PolarHBondContact O-OG 3.07Å
66D84.8Confident82.3Confident74 Ų74106.5 Ų106.540%0.39660%0.604SS.*Hα-helixtrans-61.2-51.7175.6-173.173000111.1L62 N64 L68 S69 R70L62-D66 PolarHBondContact O-N 3.48Å; N64-D66 VanDerWaalsContact C-N 3.35Å; D66-L68 PolarHBondContact O-N 2.89Å; D66-S69 PolarHBondContact O-N 3.27Å; D66-S69 PolarHBondContact O-OG 2.69Å; D66-R70 VanDerWaalsContact O-CG 3.27Å; D66-R70 WeakPolarHBondContact O-CG 3.48Å; D66-R70 PolarHBondContact O-N 2.86Å; D66-R70 VanDerWaalsContact O-N 3.11Å; D66-R70 IonicContact OD1-CZ 3.27Å; D66-R70 VanDerWaalsContact OD1-CZ 3.27Å; D66-R70 IonicContact OD1-NE 2.87Å; D66-R70 PolarHBondContact OD1-NE 3.39Å; D66-R70 IonicContact OD1-NH2 2.79Å; D66-R70 PolarHBondContact OD1-NH2 2.91Å; D66-R70 WeakPolarHBondContact OD2-CD 3.41Å; D66-R70 IonicContact OD2-CZ 3.69Å; D66-R70 IonicContact OD2-NE 2.84Å; D66-R70 PolarHBondContact OD2-NE 3.22Å; D66-R70 IonicContact OD2-NH2 3.75Å
67A87.3Confident81.2Confident56 Ų56107.3 Ų107.346%0.46361%0.608SS.*Hα-helixtrans-59.4-45.3178.300000113G63 R70 F71G63-A67 VanDerWaalsContact O-CB 3.24Å; G63-A67 WeakPolarHBondContact O-CB 3.18Å; G63-A67 PolarHBondContact O-N 3.43Å; A67-R70 PolarHBondContact O-N 2.8Å; A67-F71 PolarHBondContact O-N 3.37Å
68L85.1Confident80.6Confident134 Ų134107.4 Ų107.470%0.70262%0.618SS**Hα-helixtrans-68.8-33.5179.2-71.6173.8000112.6N64 D66 R70N64-L68 WeakPolarHBondContact O-CB 3.44Å; N64-L68 VanDerWaalsContact O-CG 3.27Å; N64-L68 WeakPolarHBondContact O-CG 3.49Å; N64-L68 PolarHBondContact O-N 3.21Å; D66-L68 PolarHBondContact O-N 2.89Å; L68-R70 VanDerWaalsContact C-N 3.26Å; L68-R70 PolarHBondContact O-N 3.28Å
69S84.8Confident80.2Confident94 Ų94113.2 Ų113.266%0.65763%0.632SS**Hα-helixtrans-70.3-25.5175.874.10000112.9A65 D66A65-S69 VanDerWaalsContact O-CB 3.26Å; A65-S69 WeakPolarHBondContact O-CB 3.32Å; A65-S69 PolarHBondContact O-N 3.22Å; A65-S69 PolarHBondContact O-OG 3.07Å; D66-S69 PolarHBondContact O-N 3.27Å; D66-S69 PolarHBondContact O-OG 2.69Å
70R83Confident79.9Confident179 Ų179116.9 Ų116.968%0.67564%0.636SS**Hα-helixtrans-96.2-10.5-179.1-67.6174.8-168.4-87.1-4.7113.8D66 A67 L68 S72D66-R70 VanDerWaalsContact O-CG 3.27Å; D66-R70 WeakPolarHBondContact O-CG 3.48Å; D66-R70 PolarHBondContact O-N 2.86Å; D66-R70 VanDerWaalsContact O-N 3.11Å; D66-R70 IonicContact OD1-CZ 3.27Å; D66-R70 VanDerWaalsContact OD1-CZ 3.27Å; D66-R70 IonicContact OD1-NE 2.87Å; D66-R70 PolarHBondContact OD1-NE 3.39Å; D66-R70 IonicContact OD1-NH2 2.79Å; D66-R70 PolarHBondContact OD1-NH2 2.91Å; D66-R70 WeakPolarHBondContact OD2-CD 3.41Å; D66-R70 IonicContact OD2-CZ 3.69Å; D66-R70 IonicContact OD2-NE 2.84Å; D66-R70 PolarHBondContact OD2-NE 3.22Å; D66-R70 IonicContact OD2-NH2 3.75Å; A67-R70 PolarHBondContact O-N 2.8Å; L68-R70 VanDerWaalsContact C-N 3.26Å; L68-R70 PolarHBondContact O-N 3.28Å; R70-S72 PolarHBondContact O-N 3.47Å; R70-S72 VanDerWaalsContact O-N 3.11Å
71F80.9Confident79.8Confident153 Ų153115.5 Ų115.567%0.67162%0.619SS**  trans-57.8122.9-174.6-158.4-101.4000109.3A67 R73A67-F71 PolarHBondContact O-N 3.37Å; F71-R73 VanDerWaalsContact C-N 3.33Å; F71-R73 PolarHBondContact O-N 3.02Å
72S76.1Confident79.5Confident88 Ų88116.6 Ų116.662%0.61563%0.629SS**  trans-62.8100.5176.555.90000107R70 N74R70-S72 PolarHBondContact O-N 3.47Å; R70-S72 VanDerWaalsContact O-N 3.11Å; S72-N74 PolarHBondContact O-N 3.18Å; S72-N74 VanDerWaalsContact O-N 3.13Å
73R70.5Confident79Confident222 Ų222118.1 Ų118.184%0.83864%0.643SS**  trans-61123.4173.6-159.3170.9158.8171.3-6.7105.2F71 A75F71-R73 VanDerWaalsContact C-N 3.33Å; F71-R73 PolarHBondContact O-N 3.02Å; R73-A75 PolarHBondContact O-N 3.23Å
74N70.9Confident78.5Confident153 Ų153121.3 Ų121.382%0.81866%0.657SS**  trans-66.167.5166.7-65.1-18.8000107.1S72 S76S72-N74 PolarHBondContact O-N 3.18Å; S72-N74 VanDerWaalsContact O-N 3.13Å; N74-S76 PolarHBondContact O-N 3.35Å
75A63.5Low78.1Confident60 Ų60124.4 Ų124.450%0.49667%0.667SS.*  trans-80.196-178.100000104.7R73 Q77R73-A75 PolarHBondContact O-N 3.23Å; A75-Q77 PolarHBondContact O-N 2.8Å
76S70.3Confident77.6Confident109 Ų109127 Ų12776%0.76268%0.678SS**  trans-49.5101.1139.5-53.60000103.9N74 V78N74-S76 PolarHBondContact O-N 3.35Å; S76-V78 PolarHBondContact O-N 2.81Å
77Q65.3Low77Confident184 Ų184129.1 Ų129.186%0.8669%0.689SS**  trans-69.584-167.5-171173.6-200107A75 Y79A75-Q77 PolarHBondContact O-N 2.8Å; Q77-Y79 PolarHBondContact O-N 3.41Å
78V76.6Confident76.4Confident114 Ų114132.8 Ų132.869%0.69169%0.694SS**  trans-67.3108.3171.7-179.70000104.4S76 I80S76-V78 PolarHBondContact O-N 2.81Å; V78-I80 HydrophobicContact CG1-CG1 4.47Å; V78-I80 PolarHBondContact O-N 3.44Å
79Y81Confident75.9Confident188 Ų188131.2 Ų131.274%0.73769%0.686SS**  trans-61.1112.4171.4173.1-103000107.7Q77 P81Q77-Y79 PolarHBondContact O-N 3.41Å; Y79-P81 HydrophobicContact CE1-CB 3.75Å; Y79-P81 HydrophobicContact CE1-CG 4.36Å
80I79.2Confident75.6Confident137 Ų137136.1 Ų136.170%0.70370%0.698SS**  trans-99.9108.1171.5-58.6170.1000105V78V78-I80 HydrophobicContact CG1-CG1 4.47Å; V78-I80 PolarHBondContact O-N 3.44Å
81P83.8Confident75.7Confident76 Ų76134.3 Ų134.349%0.49470%0.698SS.*PPolyproline II helixtrans-59.6147.9175.925.3-32.5000109.5Y79Y79-P81 HydrophobicContact CE1-CB 3.75Å; Y79-P81 HydrophobicContact CE1-CG 4.36Å
82N79.6Confident75.6Confident149 Ų149131.1 Ų131.180%0.79769%0.687SS**PPolyproline II helixtrans-53.8129.5169.6-73.8-23.1000108.3
83P75.7Confident76.1Confident108 Ų108133.3 Ų133.370%0.70170%0.699SS**PPolyproline II helixtrans-59.1141.217724.4-32.1000108.7
84P77.8Confident76.8Confident110 Ų110126.6 Ų126.671%0.71469%0.686SS**PPolyproline II helixtrans-54.4144.3171.8-22.132000110.2V86P84-V86 WeakPolarHBondContact O-CG2 3.47Å; P84-V86 PolarHBondContact O-N 2.99Å
85E78.9Confident77.3Confident175 Ų175124.1 Ų124.182%0.81868%0.678SS**  trans-62.5111.7166.6-72.3-174171.700108.1L87E85-L87 PolarHBondContact O-N 3.27Å
86V73.5Confident78.3Confident103 Ų103126.3 Ų126.362%0.62469%0.687SS**  trans-8696.7177-165.50000107.2P84 I89P84-V86 WeakPolarHBondContact O-CG2 3.47Å; P84-V86 PolarHBondContact O-N 2.99Å; V86-I89 HydrophobicContact CB-CD1 3.95Å; V86-I89 HydrophobicContact CB-CG1 4.13Å; V86-I89 HydrophobicContact CG1-CD1 3.56Å; V86-I89 HydrophobicContact CG1-CG1 3.3Å
87L72.9Confident79Confident120 Ų120125.4 Ų125.463%0.62867%0.674SS**  trans-86144.3174-58.7174000109.4E85 I89E85-L87 PolarHBondContact O-N 3.27Å; L87-I89 PolarHBondContact O-N 3.06Å
88F74.5Confident80.3Confident132 Ų132120 Ų12058%0.57965%0.654SS**  trans63.234.8169.9-50.6-72.1000117E90 E91F88-E90 PolarHBondContact O-N 3.49Å; F88-E91 HydrophobicContact CB-CB 4.15Å; F88-E91 HydrophobicContact CB-CG 4.24Å; F88-E91 HydrophobicContact CD1-CG 4.17Å; F88-E91 VanDerWaalsContact CD1-OE1 3.25Å; F88-E91 WeakPolarHBondContact CD1-OE1 3.31Å; F88-E91 VanDerWaalsContact CD1-OE2 3.29Å; F88-E91 WeakPolarHBondContact CD1-OE2 3.24Å; F88-E91 PolarHBondContact O-N 2.89Å; F88-E91 VanDerWaalsContact O-N 3.08Å
89I74.1Confident81Confident102 Ų102120.2 Ų120.252%0.52366%0.655SS.*G310 helixtrans-54.8-36.4171.8-61.2176.3000111.3V86 L87 E91 L92V86-I89 HydrophobicContact CB-CD1 3.95Å; V86-I89 HydrophobicContact CB-CG1 4.13Å; V86-I89 HydrophobicContact CG1-CD1 3.56Å; V86-I89 HydrophobicContact CG1-CG1 3.3Å; L87-I89 PolarHBondContact O-N 3.06Å; I89-E91 VanDerWaalsContact C-N 3.3Å; I89-E91 PolarHBondContact O-N 2.89Å; I89-L92 PolarHBondContact O-N 3.4Å
90E79.5Confident81.6Confident196 Ų196116.9 Ų116.992%0.91665%0.649SS**G310 helixtrans-71.6-20.7-178.7-61.3-176.3175.300113.5F88F88-E90 PolarHBondContact O-N 3.49Å
91E84.1Confident82.3Confident142 Ų142113.6 Ų113.666%0.66463%0.634SS**G310 helixtrans-92.6-2.3-178.9-61.3-179.4179.800113F88 I89F88-E91 HydrophobicContact CB-CB 4.15Å; F88-E91 HydrophobicContact CB-CG 4.24Å; F88-E91 HydrophobicContact CD1-CG 4.17Å; F88-E91 VanDerWaalsContact CD1-OE1 3.25Å; F88-E91 WeakPolarHBondContact CD1-OE1 3.31Å; F88-E91 VanDerWaalsContact CD1-OE2 3.29Å; F88-E91 WeakPolarHBondContact CD1-OE2 3.24Å; F88-E91 PolarHBondContact O-N 2.89Å; F88-E91 VanDerWaalsContact O-N 3.08Å; I89-E91 VanDerWaalsContact C-N 3.3Å; I89-E91 PolarHBondContact O-N 2.89Å
92L80.3Confident82.7Confident85 Ų85113.1 Ų113.145%0.44563%0.629SS.*  trans-64.6132.1175.6-65176.5000109.7I89 S94 P96I89-L92 PolarHBondContact O-N 3.4Å; L92-S94 PolarHBondContact O-N 2.84Å; L92-S94 VanDerWaalsContact O-N 3.14Å; L92-P96 HydrophobicContact CD1-CB 4.19Å; L92-P96 HydrophobicContact CD1-CG 3.98Å
93P86.1Confident83.3Confident135 Ų135108.2 Ų108.288%0.87761%0.609SS**SBendtrans-66.4-20.4-175.426.6-35.3000113.1
94S84.2Confident84Confident80 Ų80107.7 Ų107.756%0.55960%0.598SS**SBendtrans-149.5156.7173.859.60000109.8L92L92-S94 PolarHBondContact O-N 2.84Å; L92-S94 VanDerWaalsContact O-N 3.14Å
95P83.2Confident84.7Confident101 Ų101107.5 Ų107.566%0.65659%0.59SS**  trans-56.3132177.1-24.334.1000110.9L97P95-L97 PolarHBondContact O-N 3.2Å
96P82.8Confident85.3Confident106 Ų106100.5 Ų100.569%0.68856%0.559SS**SBendtrans-67.5-10.8-176.527.7-35.6000113.4L92L92-P96 HydrophobicContact CD1-CB 4.19Å; L92-P96 HydrophobicContact CD1-CG 3.98Å
97L86.7Confident86.1Confident90 Ų90100.9 Ų100.947%0.47156%0.556SS.*SBendtrans-145124-177-169.267.8000109.7P95 D101 V102 L105P95-L97 PolarHBondContact O-N 3.2Å; L97-D101 HydrophobicContact CD1-CB 3.6Å; L97-D101 HydrophobicContact CG-CB 4.38Å; L97-V102 HydrophobicContact CD2-CG2 3.48Å; L97-V102 VanDerWaalsContact CD2-CG2 3.48Å; L97-V102 HydrophobicContact CG-CG2 3.74Å; L97-L105 HydrophobicContact CD1-CD1 4.29Å
98T90.9Very high86.9Confident72 Ų72103.9 Ų103.944%0.44256%0.558SS.*  trans-89.9155.6177.5-48.10000110.4N100 D101 V102T98-N100 HydrophobicContact CG2-CB 4.38Å; T98-N100 PolarHBondContact O-N 3.46Å; T98-D101 WeakPolarHBondContact CA-OD2 3.31Å; T98-D101 WeakPolarHBondContact CB-OD2 3.49Å; T98-D101 PolarHBondContact N-OD2 3.27Å; T98-D101 WeakPolarHBondContact O-CA 3.45Å; T98-D101 WeakPolarHBondContact O-CB 3.39Å; T98-D101 PolarHBondContact O-N 3.4Å; T98-D101 PolarHBondContact OG1-OD2 3.2Å; T98-V102 PolarHBondContact O-N 3.12Å
99V92.7Very high87.8Confident118 Ų118100.4 Ų100.472%0.71555%0.546SS*.Hα-helixtrans-53.8-38.3173.4-178.50000111.8D101 V102 A103V99-D101 VanDerWaalsContact C-N 3.32Å; V99-D101 PolarHBondContact O-N 2.81Å; V99-V102 PolarHBondContact O-N 3.08Å; V99-A103 WeakPolarHBondContact O-CB 3.4Å; V99-A103 PolarHBondContact O-N 2.9Å
100N94.1Very high88.6Confident117 Ų117100.2 Ų100.263%0.62655%0.551SS**Hα-helixtrans-63.3-38.8176.3-66.2-23.9000112T98 A103 Q104T98-N100 HydrophobicContact CG2-CB 4.38Å; T98-N100 PolarHBondContact O-N 3.46Å; N100-A103 PolarHBondContact O-N 3.4Å; N100-Q104 VanDerWaalsContact O-CG 3.28Å; N100-Q104 WeakPolarHBondContact O-CG 3.47Å; N100-Q104 PolarHBondContact O-N 2.81Å
101D93.5Very high89Confident69 Ų6996.3 Ų96.337%0.36953%0.533SS..Hα-helixtrans-68-44.9178.5-53.7-37.7000110.2L97 T98 V99 A103 Q104 L105L97-D101 HydrophobicContact CD1-CB 3.6Å; L97-D101 HydrophobicContact CG-CB 4.38Å; T98-D101 WeakPolarHBondContact CA-OD2 3.31Å; T98-D101 WeakPolarHBondContact CB-OD2 3.49Å; T98-D101 PolarHBondContact N-OD2 3.27Å; T98-D101 WeakPolarHBondContact O-CA 3.45Å; T98-D101 WeakPolarHBondContact O-CB 3.39Å; T98-D101 PolarHBondContact O-N 3.4Å; T98-D101 PolarHBondContact OG1-OD2 3.2Å; V99-D101 VanDerWaalsContact C-N 3.32Å; V99-D101 PolarHBondContact O-N 2.81Å; D101-A103 VanDerWaalsContact C-N 3.29Å; D101-A103 PolarHBondContact O-N 3.41Å; D101-Q104 PolarHBondContact O-N 3.38Å; D101-L105 WeakPolarHBondContact O-CB 3.35Å; D101-L105 VanDerWaalsContact O-CG 3.28Å; D101-L105 WeakPolarHBondContact O-CG 3.38Å; D101-L105 PolarHBondContact O-N 3.39Å
102V91.1Very high89.3Confident65 Ų6593.6 Ų93.639%0.39452%0.523SS..Hα-helixtrans-56.4-46.7173.4-1800000110.2L97 T98 V99 Q104 L105 T106L97-V102 HydrophobicContact CD2-CG2 3.48Å; L97-V102 VanDerWaalsContact CD2-CG2 3.48Å; L97-V102 HydrophobicContact CG-CG2 3.74Å; T98-V102 PolarHBondContact O-N 3.12Å; V99-V102 PolarHBondContact O-N 3.08Å; V102-Q104 PolarHBondContact O-N 2.68Å; V102-L105 PolarHBondContact O-N 3.03Å; V102-T106 VanDerWaalsContact O-CB 3.26Å; V102-T106 WeakPolarHBondContact O-CB 3.45Å; V102-T106 PolarHBondContact O-N 3.33Å; V102-T106 PolarHBondContact O-OG1 3.49Å
103A91.9Very high89.6Confident47 Ų4790.2 Ų90.239%0.38851%0.509SS..Hα-helixtrans-60.2-45.7179.300000111.7V99 N100 D101 T106 M107V99-A103 WeakPolarHBondContact O-CB 3.4Å; V99-A103 PolarHBondContact O-N 2.9Å; N100-A103 PolarHBondContact O-N 3.4Å; D101-A103 VanDerWaalsContact C-N 3.29Å; D101-A103 PolarHBondContact O-N 3.41Å; A103-T106 PolarHBondContact O-N 3.5Å; A103-M107 WeakPolarHBondContact O-CB 3.23Å; A103-M107 VanDerWaalsContact O-CG 3.31Å; A103-M107 WeakPolarHBondContact O-CG 3.15Å; A103-M107 PolarHBondContact O-N 3.28Å
104Q92Very high89.8Confident97 Ų9789.8 Ų89.845%0.45349%0.489SS..Hα-helixtrans-65.8-38.7178.3-71-65.6-28.900112.9N100 D101 V102 R108N100-Q104 VanDerWaalsContact O-CG 3.28Å; N100-Q104 WeakPolarHBondContact O-CG 3.47Å; N100-Q104 PolarHBondContact O-N 2.81Å; D101-Q104 PolarHBondContact O-N 3.38Å; V102-Q104 PolarHBondContact O-N 2.68Å; Q104-R108 WeakPolarHBondContact O-CG 3.29Å; Q104-R108 PolarHBondContact O-N 3.06Å
105L92.7Very high90.1Very high106 Ų10688.9 Ų88.956%0.55548%0.48SS*.Hα-helixtrans-69.1-43.3175.9-69.6174.2000111.2L97 D101 V102 M107 R108 D109L97-L105 HydrophobicContact CD1-CD1 4.29Å; D101-L105 WeakPolarHBondContact O-CB 3.35Å; D101-L105 VanDerWaalsContact O-CG 3.28Å; D101-L105 WeakPolarHBondContact O-CG 3.38Å; D101-L105 PolarHBondContact O-N 3.39Å; V102-L105 PolarHBondContact O-N 3.03Å; L105-M107 VanDerWaalsContact C-N 3.29Å; L105-M107 PolarHBondContact O-N 2.93Å; L105-R108 PolarHBondContact O-N 3Å; L105-R108 VanDerWaalsContact O-N 3.09Å; L105-D109 PolarHBondContact O-N 3.23Å
106T91.4Very high90.4Very high28 Ų2886.5 Ų86.517%0.17246%0.462CS..Hα-helixtrans-62.6-37.3177.8-52.60000111.3V102 A103 R108 D109 L112 G113 L116V102-T106 VanDerWaalsContact O-CB 3.26Å; V102-T106 WeakPolarHBondContact O-CB 3.45Å; V102-T106 PolarHBondContact O-N 3.33Å; V102-T106 PolarHBondContact O-OG1 3.49Å; A103-T106 PolarHBondContact O-N 3.5Å; T106-R108 VanDerWaalsContact C-N 3.32Å; T106-R108 PolarHBondContact O-N 2.87Å; T106-D109 PolarHBondContact O-N 3.18Å; T106-L112 HydrophobicContact CG2-CB 3.53Å; T106-L112 HydrophobicContact CG2-CD1 4.24Å; T106-G113 PolarHBondContact O-N 2.94Å; T106-L116 HydrophobicContact CG2-CD1 3.47Å; T106-L116 VanDerWaalsContact CG2-CD1 3.47Å; T106-L116 HydrophobicContact CG2-CD2 4.22Å; T106-L116 HydrophobicContact CG2-CG 3.76Å
107M89.7Confident90.7Very high111 Ų11185.3 Ų85.355%0.54745%0.45SS..Hα-helixtrans-66-31.1174.7-78.2-177.962.300113.5A103 L105 L116A103-M107 WeakPolarHBondContact O-CB 3.23Å; A103-M107 VanDerWaalsContact O-CG 3.31Å; A103-M107 WeakPolarHBondContact O-CG 3.15Å; A103-M107 PolarHBondContact O-N 3.28Å; L105-M107 VanDerWaalsContact C-N 3.29Å; L105-M107 PolarHBondContact O-N 2.93Å; M107-L116 HydrophobicContact CG-CD1 4.2Å
108R90.3Very high90.9Very high182 Ų18286.4 Ų86.469%0.68745%0.448SS*.Hα-helixtrans-83.2-20.4177.4-71.2-175.4174.897-3112.9Q104 L105 T106 P110Q104-R108 WeakPolarHBondContact O-CG 3.29Å; Q104-R108 PolarHBondContact O-N 3.06Å; L105-R108 PolarHBondContact O-N 3Å; L105-R108 VanDerWaalsContact O-N 3.09Å; T106-R108 VanDerWaalsContact C-N 3.32Å; T106-R108 PolarHBondContact O-N 2.87Å; R108-P110 WeakPolarHBondContact O-CD 3.19Å
109D93.1Very high90.8Very high59 Ų5986.8 Ų86.832%0.31645%0.447SS..  trans-73.1123.6-178.4-170.3-60000111.7L105 T106 Q111 L112 G113L105-D109 PolarHBondContact O-N 3.23Å; T106-D109 PolarHBondContact O-N 3.18Å; D109-Q111 PolarHBondContact O-N 3.06Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.49Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.21Å; D109-Q111 PolarHBondContact OD1-N 3.18Å; D109-L112 HydrophobicContact CB-CB 4.02Å; D109-L112 HydrophobicContact CB-CD1 4.47Å; D109-L112 HydrophobicContact CB-CG 4.35Å; D109-L112 PolarHBondContact OD1-N 3.29Å; D109-G113 WeakPolarHBondContact O-CA 3.48Å; D109-G113 PolarHBondContact O-N 2.92Å
110P90.5Very high90.7Very high98 Ų9888.4 Ų88.464%0.63644%0.44SS*.THydrogen-bonded Turntrans-64.1-22179.7-23.534000115.5R108 R114R108-P110 WeakPolarHBondContact O-CD 3.19Å; P110-R114 PolarHBondContact O-NE 3.19Å
111Q87.9Confident90.5Very high114 Ų11486.9 Ų86.953%0.53343%0.429SS..THydrogen-bonded Turntrans-94.3-54178.7-53-58.5-38.400110.3D109 G113 R114 V115D109-Q111 PolarHBondContact O-N 3.06Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.49Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.21Å; D109-Q111 PolarHBondContact OD1-N 3.18Å; Q111-G113 VanDerWaalsContact C-N 3.31Å; Q111-G113 PolarHBondContact O-N 3.13Å; Q111-R114 WeakPolarHBondContact O-CB 3.43Å; Q111-R114 PolarHBondContact O-N 3.48Å; Q111-R114 VanDerWaalsContact O-N 3.13Å; Q111-V115 PolarHBondContact O-N 3.48Å
112L90.5Very high90.4Very high85 Ų8588.4 Ų88.445%0.44544%0.437SS..Hα-helixtrans-70-29.8-177.1-58176.9000112.4T106 D109 R114 V115 L116T106-L112 HydrophobicContact CG2-CB 3.53Å; T106-L112 HydrophobicContact CG2-CD1 4.24Å; D109-L112 HydrophobicContact CB-CB 4.02Å; D109-L112 HydrophobicContact CB-CD1 4.47Å; D109-L112 HydrophobicContact CB-CG 4.35Å; D109-L112 PolarHBondContact OD1-N 3.29Å; L112-R114 PolarHBondContact O-N 3.07Å; L112-V115 WeakPolarHBondContact O-CB 3.39Å; L112-V115 PolarHBondContact O-N 3.01Å; L112-V115 VanDerWaalsContact O-N 3.09Å; L112-L116 PolarHBondContact O-N 3.21Å
113G87.5Confident90.5Very high15 Ų1590.1 Ų90.116%0.15544%0.443CS..Hα-helixtrans-60.1-31.517200000113.1T106 D109 Q111 N117T106-G113 PolarHBondContact O-N 2.94Å; D109-G113 WeakPolarHBondContact O-CA 3.48Å; D109-G113 PolarHBondContact O-N 2.92Å; Q111-G113 VanDerWaalsContact C-N 3.31Å; Q111-G113 PolarHBondContact O-N 3.13Å; G113-N117 PolarHBondContact O-N 2.72Å; G113-N117 PolarHBondContact O-ND2 3.09Å
114R90.2Very high90.4Very high125 Ų12593.4 Ų93.447%0.47245%0.451SS..Hα-helixtrans-67.9-41.8173.1-71.6-175.8-105.3174.5-9.5111.7P110 Q111 L112 L116 N117 W118P110-R114 PolarHBondContact O-NE 3.19Å; Q111-R114 WeakPolarHBondContact O-CB 3.43Å; Q111-R114 PolarHBondContact O-N 3.48Å; Q111-R114 VanDerWaalsContact O-N 3.13Å; L112-R114 PolarHBondContact O-N 3.07Å; R114-L116 VanDerWaalsContact C-N 3.35Å; R114-N117 WeakPolarHBondContact O-CB 3.42Å; R114-N117 PolarHBondContact O-N 3.45Å; R114-W118 PolarHBondContact O-N 3.27Å
115V89.7Confident90.2Very high61 Ų6193.4 Ų93.437%0.3745%0.453SS..Hα-helixtrans-61.8-44.4176.6-177.60000110.7Q111 L112 N117 W118 D119Q111-V115 PolarHBondContact O-N 3.48Å; L112-V115 WeakPolarHBondContact O-CB 3.39Å; L112-V115 PolarHBondContact O-N 3.01Å; L112-V115 VanDerWaalsContact O-N 3.09Å; V115-N117 VanDerWaalsContact C-N 3.26Å; V115-N117 PolarHBondContact O-N 3.24Å; V115-W118 HydrophobicContact CB-CE3 4.43Å; V115-W118 HydrophobicContact CG2-CE3 4.15Å; V115-W118 HydrophobicContact CG2-CZ3 4.08Å; V115-W118 WeakPolarHBondContact O-CB 3.39Å; V115-W118 PolarHBondContact O-N 3.41Å; V115-D119 PolarHBondContact O-N 2.97Å
116L89.9Confident90Very high51 Ų5192.7 Ų92.727%0.26745%0.454SS..Hα-helixtrans-57.5-38.2174.5-73179.5000113T106 M107 L112 R114 D119 R120T106-L116 HydrophobicContact CG2-CD1 3.47Å; T106-L116 VanDerWaalsContact CG2-CD1 3.47Å; T106-L116 HydrophobicContact CG2-CD2 4.22Å; T106-L116 HydrophobicContact CG2-CG 3.76Å; M107-L116 HydrophobicContact CG-CD1 4.2Å; L112-L116 PolarHBondContact O-N 3.21Å; R114-L116 VanDerWaalsContact C-N 3.35Å; L116-D119 PolarHBondContact O-N 2.9Å; L116-R120 VanDerWaalsContact O-CG 3.31Å; L116-R120 WeakPolarHBondContact O-CG 3.46Å; L116-R120 PolarHBondContact O-N 3.33Å
117N89.2Confident89.8Confident81 Ų8197.5 Ų97.543%0.43347%0.474SS..Hα-helixtrans-68.5-38.2176.8-70.2-30.8000111.8G113 R114 V115 R120 Q121G113-N117 PolarHBondContact O-N 2.72Å; G113-N117 PolarHBondContact O-ND2 3.09Å; R114-N117 WeakPolarHBondContact O-CB 3.42Å; R114-N117 PolarHBondContact O-N 3.45Å; V115-N117 VanDerWaalsContact C-N 3.26Å; V115-N117 PolarHBondContact O-N 3.24Å; N117-R120 PolarHBondContact O-N 3.48Å; N117-Q121 WeakPolarHBondContact O-CB 3.37Å; N117-Q121 VanDerWaalsContact O-CG 3.22Å; N117-Q121 WeakPolarHBondContact O-CG 3.39Å; N117-Q121 PolarHBondContact O-N 3.36Å
118W90.3Very high89.5Confident113 Ų11397.2 Ų97.243%0.42847%0.474SS..Hα-helixtrans-63.9-42.6173.6-65.7-34.1000112.1R114 V115 R120 Q121 L122R114-W118 PolarHBondContact O-N 3.27Å; V115-W118 HydrophobicContact CB-CE3 4.43Å; V115-W118 HydrophobicContact CG2-CE3 4.15Å; V115-W118 HydrophobicContact CG2-CZ3 4.08Å; V115-W118 WeakPolarHBondContact O-CB 3.39Å; V115-W118 PolarHBondContact O-N 3.41Å; W118-R120 PolarHBondContact O-N 2.93Å; W118-Q121 PolarHBondContact O-N 3.04Å; W118-L122 WeakPolarHBondContact O-CB 3.42Å; W118-L122 WeakPolarHBondContact O-CG 3.46Å; W118-L122 PolarHBondContact O-N 3.38Å
119D89.3Confident89.1Confident81 Ų8191.1 Ų91.143%0.43346%0.463SS..Hα-helixtrans-62.7-43.3176.4-72.7-13.7000111.6V115 L116 Q121 L122 I123V115-D119 PolarHBondContact O-N 2.97Å; L116-D119 PolarHBondContact O-N 2.9Å; D119-Q121 PolarHBondContact O-N 3.09Å; D119-L122 PolarHBondContact O-N 2.96Å; D119-I123 WeakPolarHBondContact O-CG1 3.28Å; D119-I123 PolarHBondContact O-N 3.23Å
120R90.5Very high88.6Confident151 Ų15190.6 Ų90.657%0.5747%0.467SS*.Hα-helixtrans-62.3-42.2175.2-74174.2178.2177.40.2112.3L116 N117 W118 I123 Q124L116-R120 VanDerWaalsContact O-CG 3.31Å; L116-R120 WeakPolarHBondContact O-CG 3.46Å; L116-R120 PolarHBondContact O-N 3.33Å; N117-R120 PolarHBondContact O-N 3.48Å; W118-R120 PolarHBondContact O-N 2.93Å; R120-I123 PolarHBondContact O-N 2.97Å; R120-Q124 PolarHBondContact O-N 3.47Å
121Q90.1Very high88Confident85 Ų8588.5 Ų88.540%0.39746%0.455SS..Hα-helixtrans-62.3-45.3175.9-75.8169.221.500111N117 W118 D119 I123 Q124 D125N117-Q121 WeakPolarHBondContact O-CB 3.37Å; N117-Q121 VanDerWaalsContact O-CG 3.22Å; N117-Q121 WeakPolarHBondContact O-CG 3.39Å; N117-Q121 PolarHBondContact O-N 3.36Å; W118-Q121 PolarHBondContact O-N 3.04Å; D119-Q121 PolarHBondContact O-N 3.09Å; Q121-I123 VanDerWaalsContact C-N 3.33Å; Q121-I123 PolarHBondContact O-N 2.82Å; Q121-Q124 PolarHBondContact O-N 3.33Å; Q121-D125 WeakPolarHBondContact O-CB 3.22Å; Q121-D125 PolarHBondContact O-N 3.33Å
122L91.5Very high87.6Confident102 Ų10286.3 Ų86.353%0.53445%0.447SS..Hα-helixtrans-58.4-43.6176.6-80166.2000112.2W118 D119 D125 T126W118-L122 WeakPolarHBondContact O-CB 3.42Å; W118-L122 WeakPolarHBondContact O-CG 3.46Å; W118-L122 PolarHBondContact O-N 3.38Å; D119-L122 PolarHBondContact O-N 2.96Å; L122-D125 PolarHBondContact O-N 3.42Å; L122-T126 VanDerWaalsContact O-CB 3.3Å; L122-T126 WeakPolarHBondContact O-CB 3.48Å; L122-T126 PolarHBondContact O-N 3.39Å; L122-T126 PolarHBondContact O-OG1 3.45Å
123I91.9Very high87.1Confident100 Ų10088 Ų8851%0.51345%0.452SS..Hα-helixtrans-62.5-45.4177.3-67.6165.1000110.4D119 R120 Q121 T126 Q127D119-I123 WeakPolarHBondContact O-CG1 3.28Å; D119-I123 PolarHBondContact O-N 3.23Å; R120-I123 PolarHBondContact O-N 2.97Å; Q121-I123 VanDerWaalsContact C-N 3.33Å; Q121-I123 PolarHBondContact O-N 2.82Å; I123-T126 PolarHBondContact O-N 3.34Å; I123-Q127 WeakPolarHBondContact O-CG 3.39Å; I123-Q127 PolarHBondContact O-N 3.39Å
124Q89.6Confident86.6Confident117 Ų11794.4 Ų94.455%0.54748%0.478SS..Hα-helixtrans-64.8-45.9178.9-173.1172.328.600111.9R120 Q121 T126 Q127 L128R120-Q124 PolarHBondContact O-N 3.47Å; Q121-Q124 PolarHBondContact O-N 3.33Å; Q124-T126 VanDerWaalsContact C-N 3.29Å; Q124-T126 PolarHBondContact O-N 2.93Å; Q124-Q127 PolarHBondContact O-N 2.86Å; Q124-L128 HydrophobicContact CG-CD1 4.19Å; Q124-L128 HydrophobicContact CG-CG 4.45Å; Q124-L128 WeakPolarHBondContact O-CB 3.35Å; Q124-L128 WeakPolarHBondContact O-CG 3.33Å; Q124-L128 PolarHBondContact O-N 3.03Å
125D87.9Confident86.2Confident96 Ų9690.4 Ų90.451%0.51347%0.465SS..Hα-helixtrans-61.9-39.2177.6-74.8-13.8000111.3Q121 L122 L128 A129Q121-D125 WeakPolarHBondContact O-CB 3.22Å; Q121-D125 PolarHBondContact O-N 3.33Å; L122-D125 PolarHBondContact O-N 3.42Å; D125-L128 PolarHBondContact O-N 2.62Å; D125-A129 WeakPolarHBondContact O-CB 3.42Å; D125-A129 PolarHBondContact O-N 3.47Å
126T89.1Confident85.8Confident92 Ų9293.1 Ų93.156%0.56447%0.472SS*.Hα-helixtrans-64.6-42.4175.7-560000111.2L122 I123 Q124 A129 A130L122-T126 VanDerWaalsContact O-CB 3.3Å; L122-T126 WeakPolarHBondContact O-CB 3.48Å; L122-T126 PolarHBondContact O-N 3.39Å; L122-T126 PolarHBondContact O-OG1 3.45Å; I123-T126 PolarHBondContact O-N 3.34Å; Q124-T126 VanDerWaalsContact C-N 3.29Å; Q124-T126 PolarHBondContact O-N 2.93Å; T126-A129 PolarHBondContact O-N 2.95Å; T126-A130 WeakPolarHBondContact O-CB 3.4Å; T126-A130 PolarHBondContact O-N 3.21Å
127Q86.6Confident85.7Confident128 Ų12891 Ų9160%0.59846%0.46SS*.Hα-helixtrans-66.1-42.3175.8-71.7175.618.900112I123 Q124 A129 A130 S131I123-Q127 WeakPolarHBondContact O-CG 3.39Å; I123-Q127 PolarHBondContact O-N 3.39Å; Q124-Q127 PolarHBondContact O-N 2.86Å; Q127-A129 VanDerWaalsContact C-N 3.35Å; Q127-A130 PolarHBondContact O-N 3.13Å; Q127-S131 WeakPolarHBondContact O-CB 3.22Å; Q127-S131 PolarHBondContact O-N 3.07Å
128L84.6Confident85.5Confident105 Ų10593.6 Ų93.655%0.5547%0.47SS..Hα-helixtrans-65.1-39.8175.9-71.5176.4000111.6Q124 D125 N132Q124-L128 HydrophobicContact CG-CD1 4.19Å; Q124-L128 HydrophobicContact CG-CG 4.45Å; Q124-L128 WeakPolarHBondContact O-CB 3.35Å; Q124-L128 WeakPolarHBondContact O-CG 3.33Å; Q124-L128 PolarHBondContact O-N 3.03Å; D125-L128 PolarHBondContact O-N 2.62Å; L128-N132 VanDerWaalsContact O-CB 3.28Å; L128-N132 WeakPolarHBondContact O-CB 3.33Å; L128-N132 PolarHBondContact O-N 2.85Å
129A80.9Confident85.3Confident55 Ų5591.4 Ų91.446%0.45547%0.47SS..Hα-helixtrans-65-45.7175.300000111.3D125 T126 Q127 S131 N132 E133D125-A129 WeakPolarHBondContact O-CB 3.42Å; D125-A129 PolarHBondContact O-N 3.47Å; T126-A129 PolarHBondContact O-N 2.95Å; Q127-A129 VanDerWaalsContact C-N 3.35Å; A129-S131 PolarHBondContact O-N 2.69Å; A129-N132 PolarHBondContact O-N 3.15Å; A129-E133 WeakPolarHBondContact O-CG 3.48Å; A129-E133 PolarHBondContact O-N 2.96Å
130A82.4Confident85.3Confident47 Ų4794 Ų9439%0.38848%0.484SS..Hα-helixtrans-59.3-47.3175.500000111.5T126 Q127 N132 E133 E134T126-A130 WeakPolarHBondContact O-CB 3.4Å; T126-A130 PolarHBondContact O-N 3.21Å; Q127-A130 PolarHBondContact O-N 3.13Å; A130-N132 VanDerWaalsContact C-N 3.33Å; A130-N132 PolarHBondContact O-N 3.11Å; A130-E133 PolarHBondContact O-N 2.95Å; A130-E134 WeakPolarHBondContact O-CG 3.3Å; A130-E134 PolarHBondContact O-N 2.66Å
131S79.2Confident85.2Confident55 Ų5589.4 Ų89.439%0.38547%0.469SS..Hα-helixtrans-60-41.1175.5179.20000112.1Q127 A129 E134 Q135Q127-S131 WeakPolarHBondContact O-CB 3.22Å; Q127-S131 PolarHBondContact O-N 3.07Å; A129-S131 PolarHBondContact O-N 2.69Å; S131-E134 PolarHBondContact O-N 2.9Å; S131-Q135 WeakPolarHBondContact O-CB 3.42Å; S131-Q135 PolarHBondContact O-N 3.18Å
132N79.8Confident85.2Confident68 Ų6887.4 Ų87.436%0.36447%0.467SS..Hα-helixtrans-65.3-39.9179.4-165.9-30.4000111.6L128 A129 A130 Q135L128-N132 VanDerWaalsContact O-CB 3.28Å; L128-N132 WeakPolarHBondContact O-CB 3.33Å; L128-N132 PolarHBondContact O-N 2.85Å; A129-N132 PolarHBondContact O-N 3.15Å; A130-N132 VanDerWaalsContact C-N 3.33Å; A130-N132 PolarHBondContact O-N 3.11Å; N132-Q135 PolarHBondContact O-N 2.88Å
133E78.9Confident85.2Confident120 Ų12082.5 Ų82.556%0.56144%0.441SS*.Hα-helixtrans-67.2-35.2176.1-72-62.5152.600113.2A129 A130 Q135 K136A129-E133 WeakPolarHBondContact O-CG 3.48Å; A129-E133 PolarHBondContact O-N 2.96Å; A130-E133 PolarHBondContact O-N 2.95Å; E133-Q135 VanDerWaalsContact C-N 3.25Å; E133-Q135 PolarHBondContact O-N 3.03Å; E133-K136 WeakPolarHBondContact O-CE 3.49Å; E133-K136 IonicContact OE2-NZ 2.8Å; E133-K136 PolarHBondContact OE2-NZ 3.27Å
134E78Confident85.2Confident150 Ų15081.2 Ų81.270%0.70143%0.431SS*.Hα-helixtrans-73-18.5176.2-71.5176.7-178.900113A130 S131 K136A130-E134 WeakPolarHBondContact O-CG 3.3Å; A130-E134 PolarHBondContact O-N 2.66Å; S131-E134 PolarHBondContact O-N 2.9Å; E134-K136 PolarHBondContact O-N 3.11Å
135Q80.1Confident85.3Confident40 Ų4075.8 Ų75.819%0.18741%0.405CS..  trans-86.846.8-175.8-148.6154.1-18.400112.2S131 N132 E133 F137 A182 I185S131-Q135 WeakPolarHBondContact O-CB 3.42Å; S131-Q135 PolarHBondContact O-N 3.18Å; N132-Q135 PolarHBondContact O-N 2.88Å; E133-Q135 VanDerWaalsContact C-N 3.25Å; E133-Q135 PolarHBondContact O-N 3.03Å; Q135-F137 HydrophobicContact CG-CE2 3.74Å; Q135-F137 HydrophobicContact CG-CZ 3.64Å; Q135-F137 WeakPolarHBondContact O-CE2 3.41Å; Q135-A182 HydrophobicContact CG-CB 4.38Å; Q135-A182 PolarHBondContact NE2-O 3.25Å; Q135-A182 WeakPolarHBondContact O-CB 3.48Å; Q135-I185 PolarHBondContact NE2-O 3.07Å
136K83.1Confident85.3Confident119 Ų11976.2 Ų76.252%0.51740%0.399SS..  trans-96.7132.8170.9-68.2171.3-171.3162.80109.1E133 E134E133-K136 WeakPolarHBondContact O-CE 3.49Å; E133-K136 IonicContact OE2-NZ 2.8Å; E133-K136 PolarHBondContact OE2-NZ 3.27Å; E134-K136 PolarHBondContact O-N 3.11Å
137F86.1Confident85.2Confident5 Ų572.9 Ų72.92%0.02238%0.379CS..  trans-118.2144.9-178.8-54.2-83.6000110.7Q135 E141 V143 I159 Y168 A182 I185 K187Q135-F137 HydrophobicContact CG-CE2 3.74Å; Q135-F137 HydrophobicContact CG-CZ 3.64Å; Q135-F137 WeakPolarHBondContact O-CE2 3.41Å; F137-E141 WeakPolarHBondContact CA-OE2 3.49Å; F137-V143 HydrophobicContact CD1-CG1 3.68Å; F137-V143 HydrophobicContact CE1-CG1 3.84Å; F137-I159 HydrophobicContact CB-CD1 4.34Å; F137-I159 HydrophobicContact CB-CG1 3.99Å; F137-Y168 HydrophobicContact CB-CD1 4.46Å; F137-Y168 HydrophobicContact CB-CE1 4.18Å; F137-Y168 AromaticContact CD2-CD2 3.96Å; F137-Y168 HydrophobicContact CD2-CD2 3.96Å; F137-Y168 AromaticContact CD2-CE2 3.74Å; F137-Y168 HydrophobicContact CD2-CE2 3.74Å; F137-Y168 PolarHBondContact N-OH 3.31Å; F137-Y168 WeakPolarHBondContact O-CE1 3.43Å; F137-A182 HydrophobicContact CE2-CB 4.22Å; F137-I185 HydrophobicContact CD1-CG2 4.27Å; F137-I185 HydrophobicContact CD2-CB 4.43Å; F137-I185 HydrophobicContact CD2-CG2 4.09Å; F137-I185 HydrophobicContact CE1-CG2 3.81Å; F137-I185 HydrophobicContact CE2-CB 3.7Å; F137-I185 HydrophobicContact CE2-CG2 3.65Å; F137-I185 HydrophobicContact CG-CG2 4.39Å; F137-I185 HydrophobicContact CZ-CB 3.79Å; F137-I185 HydrophobicContact CZ-CG2 3.5Å; F137-I185 WeakPolarHBondContact CZ-O 3.45Å; F137-K187 HydrophobicContact CD1-CG 4.17Å; F137-K187 HydrophobicContact CE1-CG 3.59Å
138E85.9Confident85Confident136 Ų13673.8 Ų73.864%0.63638%0.378SS*.  trans-95.3154.5174.1-70.1-59.9136.800110.9N140 E141 I159E138-N140 PolarHBondContact O-N 3.46Å; E138-E141 PolarHBondContact N-OE2 3.11Å; E138-E141 WeakPolarHBondContact O-CB 3.41Å; E138-E141 PolarHBondContact O-N 3.25Å; E138-I159 WeakPolarHBondContact O-CB 3.45Å; E138-I159 WeakPolarHBondContact O-CG2 3.26Å
139P86.8Confident84.8Confident67 Ų6776 Ų7644%0.43539%0.386SS..THydrogen-bonded Turntrans-52.5142168.6-23.434.5000111.1E141P139-E141 VanDerWaalsContact C-N 3.31Å; P139-E141 PolarHBondContact O-N 2.95Å
140N87.9Confident84.7Confident135 Ų13581 Ų8172%0.72241%0.411SS*.THydrogen-bonded Turntrans70.214.6-179.9-151.441.8000116.1E138 I159E138-N140 PolarHBondContact O-N 3.46Å; N140-I159 WeakPolarHBondContact CA-O 3.47Å; N140-I159 PolarHBondContact N-O 3.06Å
141E88.2Confident84.4Confident55 Ų5581.1 Ų81.126%0.25742%0.417SS..  trans-80.1135.8172.4-167.6175.7176.900111.4F137 E138 P139 V143 I158 I159 K187F137-E141 WeakPolarHBondContact CA-OE2 3.49Å; E138-E141 PolarHBondContact N-OE2 3.11Å; E138-E141 WeakPolarHBondContact O-CB 3.41Å; E138-E141 PolarHBondContact O-N 3.25Å; P139-E141 VanDerWaalsContact C-N 3.31Å; P139-E141 PolarHBondContact O-N 2.95Å; E141-V143 HydrophobicContact CG-CG1 4.33Å; E141-I158 WeakPolarHBondContact O-CA 3.47Å; E141-I159 HydrophobicContact CB-CG1 4.44Å; E141-I159 PolarHBondContact O-N 3.06Å; E141-K187 WeakPolarHBondContact OE1-CE 3.31Å
142A90.1Very high84.6Confident43 Ų4383.1 Ų83.136%0.35543%0.429SS..EExtended strand (participates in β ladder)trans-78.4123.6175.100000110.4R188A142-R188 HydrophobicContact CB-CB 4.35Å; A142-R188 VanDerWaalsContact O-CB 3.29Å; A142-R188 WeakPolarHBondContact O-CB 3.44Å; A142-R188 PolarHBondContact O-N 2.8Å; A142-R188 VanDerWaalsContact O-N 3.07Å
143V92.6Very high84.9Confident0 Ų083.3 Ų83.30%043%0.433CS..EExtended strand (participates in β ladder)trans-138.9161.8-174.1-65.60000111.1F137 E141 I145 A157 I159 I185 Q186F137-V143 HydrophobicContact CD1-CG1 3.68Å; F137-V143 HydrophobicContact CE1-CG1 3.84Å; E141-V143 HydrophobicContact CG-CG1 4.33Å; V143-I145 HydrophobicContact CG2-CG2 4.29Å; V143-A157 PolarHBondContact N-O 3.04Å; V143-A157 PolarHBondContact O-N 3.22Å; V143-I159 HydrophobicContact CG1-CD1 4.27Å; V143-I159 HydrophobicContact CG1-CG1 3.98Å; V143-I159 HydrophobicContact CG2-CD1 3.6Å; V143-I159 HydrophobicContact CG2-CG1 3.83Å; V143-I185 HydrophobicContact CB-CG2 3.58Å; V143-I185 HydrophobicContact CG1-CG2 3.8Å; V143-I185 HydrophobicContact CG2-CG2 3.71Å; V143-Q186 CarbonylContact C-O 3.43Å; V143-Q186 WeakPolarHBondContact CA-O 3.47Å; V143-Q186 VanDerWaalsContact CB-O 3.23Å; V143-Q186 WeakPolarHBondContact CB-O 3.35Å
144Y92.3Very high85.4Confident73 Ų7381.6 Ų81.629%0.28642%0.422SS..EExtended strand (participates in β ladder)trans-97.1133.1162.9-68.7-76.8000109.3V155 P156 I185 Q186 R188Y144-V155 WeakPolarHBondContact CA-O 3.46Å; Y144-P156 HydrophobicContact CD1-CB 4.14Å; Y144-P156 HydrophobicContact CE1-CB 3.88Å; Y144-P156 HydrophobicContact CE1-CG 4.44Å; Y144-I185 CarbonylContact O-C 3.56Å; Y144-I185 WeakPolarHBondContact O-CA 3.4Å; Y144-Q186 PolarHBondContact N-O 3.15Å; Y144-Q186 PolarHBondContact O-N 3.13Å; Y144-R188 HydrophobicContact CD2-CB 4.1Å; Y144-R188 HydrophobicContact CD2-CG 4.34Å; Y144-R188 HydrophobicContact CE2-CB 3.88Å; Y144-R188 HydrophobicContact CE2-CG 3.62Å; Y144-R188 PolarHBondContact OH-NE 3.42Å
145I90.2Very high85.9Confident2 Ų276.1 Ų76.11%0.0140%0.399CS..EExtended strand (participates in β ladder)trans-108.5146.5172.463.8168.8000111.1V143 T147 W154 V155 A157 A170 T172 A178 R180 I185V143-I145 HydrophobicContact CG2-CG2 4.29Å; I145-T147 PolarHBondContact O-N 2.75Å; I145-W154 WeakPolarHBondContact O-CA 3.35Å; I145-V155 PolarHBondContact N-O 2.98Å; I145-V155 PolarHBondContact O-N 3.02Å; I145-A157 HydrophobicContact CD1-CB 4.07Å; I145-A157 HydrophobicContact CG1-CB 3.96Å; I145-A157 HydrophobicContact CG2-CB 3.99Å; I145-A170 HydrophobicContact CG2-CB 3.66Å; I145-T172 HydrophobicContact CD1-CG2 3.7Å; I145-T172 HydrophobicContact CG1-CG2 4.12Å; I145-A178 HydrophobicContact CD1-CB 3.86Å; I145-R180 HydrophobicContact CB-CG 4.31Å; I145-I185 HydrophobicContact CG2-CG1 4.21Å
146R89.2Confident86.5Confident105 Ų10575.6 Ų75.640%0.39640%0.398SS..EExtended strand (participates in β ladder)trans-72.1127.3174.2-162.5177.5178.4-161.9-1.6111.7P153 W154 R180 L184R146-P153 CarbonylContact C-O 3.53Å; R146-P153 WeakPolarHBondContact CA-O 3.31Å; R146-P153 WeakPolarHBondContact CG-O 3.37Å; R146-W154 HydrophobicContact CB-CE3 4.28Å; R146-W154 HydrophobicContact CB-CH2 4.13Å; R146-W154 HydrophobicContact CB-CZ3 3.98Å; R146-R180 PolarHBondContact O-NE 3.4Å; R146-L184 HydrophobicContact CB-CB 4.13Å; R146-L184 PolarHBondContact N-O 2.92Å
147T86.7Confident86.8Confident23 Ų2370.2 Ų70.214%0.14138%0.376CS..  trans-103.8156.4172.850.90000111.3I145 P152 P153 V155I145-T147 PolarHBondContact O-N 2.75Å; T147-P152 PolarHBondContact OG1-O 3.25Å; T147-P153 PolarHBondContact N-O 3.38Å; T147-P153 PolarHBondContact OG1-O 2.82Å; T147-V155 HydrophobicContact CG2-CB 3.76Å; T147-V155 HydrophobicContact CG2-CG2 3.38Å
148Y82.8Confident87.2Confident146 Ų14674 Ų7457%0.57340%0.396SS*.  trans-121.511.4177.9-56.2-69.4000111.9L184Y148-L184 WeakPolarHBondContact OH-CD1 3.31Å
149E80.6Confident87.5Confident151 Ų15167.6 Ų67.671%0.70637%0.366SS*.SBendtrans-87.1167177.7-61.6-176.5177.600110.2G151E149-G151 PolarHBondContact O-N 2.82Å
150T78.4Confident87.6Confident160 Ų16066.6 Ų66.698%0.98236%0.361SS*.SBendtrans-66.796.9174.9-55.60000109.7
151G76.2Confident87.7Confident50 Ų5065.7 Ų65.752%0.51535%0.35SS..SBendtrans167.5-167.3-178.800000112.7E149E149-G151 PolarHBondContact O-N 2.82Å
152P82.6Confident87.8Confident98 Ų9866.8 Ų66.864%0.63636%0.362SS*.  trans-58.5131.6173.4-21.833.3000110.2T147 W154T147-P152 PolarHBondContact OG1-O 3.25Å; P152-W154 PolarHBondContact O-N 3.45Å; P152-W154 VanDerWaalsContact O-N 3.1Å
153P86.6Confident87.8Confident71 Ų7167.5 Ų67.546%0.46136%0.362SS..SBendtrans-70.4-6.8-175.427.9-35.2000113.6R146 T147R146-P153 CarbonylContact C-O 3.53Å; R146-P153 WeakPolarHBondContact CA-O 3.31Å; R146-P153 WeakPolarHBondContact CG-O 3.37Å; T147-P153 PolarHBondContact N-O 3.38Å; T147-P153 PolarHBondContact OG1-O 2.82Å
154W89Confident87.4Confident85 Ų8569 Ų6932%0.32238%0.378SS..EExtended strand (participates in β ladder)trans-126.5115.5-179.3-66.1104.5000109.6I145 R146 P152 L184 Q186I145-W154 WeakPolarHBondContact O-CA 3.35Å; R146-W154 HydrophobicContact CB-CE3 4.28Å; R146-W154 HydrophobicContact CB-CH2 4.13Å; R146-W154 HydrophobicContact CB-CZ3 3.98Å; P152-W154 PolarHBondContact O-N 3.45Å; P152-W154 VanDerWaalsContact O-N 3.1Å; W154-L184 WeakPolarHBondContact CZ3-O 3.4Å; W154-Q186 HydrophobicContact CE3-CG 4.3Å; W154-Q186 HydrophobicContact CH2-CG 3.81Å; W154-Q186 HydrophobicContact CZ2-CG 4.47Å; W154-Q186 HydrophobicContact CZ3-CB 4.43Å; W154-Q186 HydrophobicContact CZ3-CG 3.7Å
155V88.8Confident87Confident35 Ų3572.1 Ų72.121%0.21241%0.407CS..EExtended strand (participates in β ladder)trans-115.8135.5-179.8178.20000109.4Y144 I145 T147 T172Y144-V155 WeakPolarHBondContact CA-O 3.46Å; I145-V155 PolarHBondContact N-O 2.98Å; I145-V155 PolarHBondContact O-N 3.02Å; T147-V155 HydrophobicContact CG2-CB 3.76Å; T147-V155 HydrophobicContact CG2-CG2 3.38Å; V155-T172 HydrophobicContact CB-CG2 4.26Å; V155-T172 HydrophobicContact CG1-CG2 3.61Å
156P91.8Very high86.8Confident28 Ų2874 Ų7418%0.18242%0.419CS..EExtended strand (participates in β ladder)trans-65.4135.317827.2-35.4000111.4Y144 Q173Y144-P156 HydrophobicContact CD1-CB 4.14Å; Y144-P156 HydrophobicContact CE1-CB 3.88Å; Y144-P156 HydrophobicContact CE1-CG 4.44Å; P156-Q173 HydrophobicContact CG-CG 4.41Å
157A91Very high86.8Confident6 Ų670.2 Ų70.25%0.0541%0.408CS..EExtended strand (participates in β ladder)trans-148.3168.6-179.600000111.4V143 I145 A170 T171 T172V143-A157 PolarHBondContact N-O 3.04Å; V143-A157 PolarHBondContact O-N 3.22Å; I145-A157 HydrophobicContact CD1-CB 4.07Å; I145-A157 HydrophobicContact CG1-CB 3.96Å; I145-A157 HydrophobicContact CG2-CB 3.99Å; A157-A170 HydrophobicContact CB-CB 3.96Å; A157-T171 CarbonylContact C-O 3.58Å; A157-T171 VanDerWaalsContact CA-O 3.25Å; A157-T171 WeakPolarHBondContact CA-O 3.15Å; A157-T171 WeakPolarHBondContact CB-O 3.49Å; A157-T172 HydrophobicContact CB-CG2 4.01Å
158I93.9Very high87Confident84 Ų8470.1 Ų70.143%0.43141%0.405SS..EExtended strand (participates in β ladder)trans-118.8133.5175.7-59.5172.3000108.6E141 S160 A170 T171E141-I158 WeakPolarHBondContact O-CA 3.47Å; I158-S160 PolarHBondContact O-N 3.03Å; I158-A170 CarbonylContact O-C 3.5Å; I158-A170 VanDerWaalsContact O-CA 3.27Å; I158-A170 WeakPolarHBondContact O-CA 3.27Å; I158-T171 PolarHBondContact N-O 3.32Å; I158-T171 PolarHBondContact O-N 3.46Å
159I91.8Very high87.5Confident2 Ų265.4 Ų65.41%0.0139%0.388CS..EExtended strand (participates in β ladder)trans-66125.5176.2-59.7-64000109.6F137 E138 N140 E141 V143 Y168 A170 I185F137-I159 HydrophobicContact CB-CD1 4.34Å; F137-I159 HydrophobicContact CB-CG1 3.99Å; E138-I159 WeakPolarHBondContact O-CB 3.45Å; E138-I159 WeakPolarHBondContact O-CG2 3.26Å; N140-I159 WeakPolarHBondContact CA-O 3.47Å; N140-I159 PolarHBondContact N-O 3.06Å; E141-I159 HydrophobicContact CB-CG1 4.44Å; E141-I159 PolarHBondContact O-N 3.06Å; V143-I159 HydrophobicContact CG1-CD1 4.27Å; V143-I159 HydrophobicContact CG1-CG1 3.98Å; V143-I159 HydrophobicContact CG2-CD1 3.6Å; V143-I159 HydrophobicContact CG2-CG1 3.83Å; I159-Y168 HydrophobicContact CG2-CD1 4.14Å; I159-A170 HydrophobicContact CD1-CB 4.14Å; I159-I185 HydrophobicContact CD1-CD1 4.12Å; I159-I185 HydrophobicContact CD1-CG2 4.11Å
160S88.8Confident87.9Confident47 Ų4758.2 Ų58.233%0.32936%0.355SS..EExtended strand (participates in β ladder)trans-90.9-52.7174.866.20000111.5I158 E169I158-S160 PolarHBondContact O-N 3.03Å; S160-E169 WeakPolarHBondContact CB-O 3.38Å; S160-E169 PolarHBondContact N-O 2.88Å; S160-E169 WeakPolarHBondContact OG-CB 3.28Å; S160-E169 WeakPolarHBondContact OG-CG 3.5Å; S160-E169 PolarHBondContact OG-O 3.07Å
161K89.3Confident88.5Confident115 Ų11553 Ų5350%0.532%0.323SS..EExtended strand (participates in β ladder)trans-160.6155.1-178.759.7-175.9174.6-175.30112.7E169K161-E169 WeakPolarHBondContact CE-OE2 3.47Å; K161-E169 HydrophobicContact CG-CB 4.23Å; K161-E169 PolarHBondContact N-O 2.79Å; K161-E169 IonicContact NZ-OE2 3.63Å; K161-E169 PolarHBondContact O-N 2.84Å
162P90.6Very high89.1Confident78 Ų7851.5 Ų51.551%0.50630%0.304SS..EExtended strand (participates in β ladder)trans-68.4128165.728.4-33.1000110.5Y168P162-Y168 HydrophobicContact CB-CD1 3.99Å; P162-Y168 HydrophobicContact CB-CE1 3.92Å
163T90.4Very high89Confident59 Ų5954.2 Ų54.236%0.36231%0.308SS..EExtended strand (participates in β ladder)trans-95.3-19.4175.6-430000112.5S167 E169 K179T163-S167 WeakPolarHBondContact CA-O 3.28Å; T163-S167 PolarHBondContact N-O 3.11Å; T163-E169 PolarHBondContact OG1-N 2.87Å; T163-K179 HydrophobicContact CG2-CD 3.91Å; T163-K179 HydrophobicContact CG2-CG 4.38Å
164G84.8Confident88.8Confident31 Ų3156.9 Ų56.932%0.3232%0.318SS..EExtended strand (participates in β ladder)trans-173.8-174.7179.900000111.6V166 S167G164-V166 PolarHBondContact O-N 3.38Å; G164-V166 VanDerWaalsContact O-N 3.07Å; G164-S167 PolarHBondContact N-O 3.47Å; G164-S167 PolarHBondContact O-N 2.91Å
165P83.3Confident88.3Confident139 Ų13955.2 Ų55.290%0.90333%0.327SS*.THydrogen-bonded Turntrans-56.7-31.5-171.7-26.434000114.7
166V85.7Confident87.9Confident42 Ų4260 Ų6026%0.25535%0.345SS..THydrogen-bonded Turntrans-138.627.8-179.4-161.50000110.2G164 H181 A182G164-V166 PolarHBondContact O-N 3.38Å; G164-V166 VanDerWaalsContact O-N 3.07Å; V166-H181 WeakPolarHBondContact CB-NE2 3.29Å; V166-H181 WeakPolarHBondContact CG1-CE1 3.45Å; V166-H181 CarbonylContact O-C 3.54Å; V166-H181 VanDerWaalsContact O-CA 3.31Å; V166-H181 WeakPolarHBondContact O-CA 3.27Å; V166-H181 PolarHBondContact O-CD2 3.1Å; V166-H181 VanDerWaalsContact O-CG 3.22Å; V166-A182 HydrophobicContact CG1-CB 3.53Å; V166-A182 PolarHBondContact O-N 3.46Å
167S89.9Confident87.6Confident25 Ų2562.6 Ų62.618%0.17536%0.362CS..EExtended strand (participates in β ladder)trans-137.5136.6-178.1-590000110.8T163 G164 R180T163-S167 WeakPolarHBondContact CA-O 3.28Å; T163-S167 PolarHBondContact N-O 3.11Å; G164-S167 PolarHBondContact N-O 3.47Å; G164-S167 PolarHBondContact O-N 2.91Å; S167-R180 CarbonylContact C-O 3.56Å; S167-R180 VanDerWaalsContact CA-O 3.31Å; S167-R180 WeakPolarHBondContact CA-O 3.49Å
168Y91.1Very high87.3Confident20 Ų2063.1 Ų63.18%0.07837%0.366CS..EExtended strand (participates in β ladder)trans-128.4156-176.7-61.4-92.5000110.1F137 I159 P162 K179 R180 A182 I185F137-Y168 HydrophobicContact CB-CD1 4.46Å; F137-Y168 HydrophobicContact CB-CE1 4.18Å; F137-Y168 AromaticContact CD2-CD2 3.96Å; F137-Y168 HydrophobicContact CD2-CD2 3.96Å; F137-Y168 AromaticContact CD2-CE2 3.74Å; F137-Y168 HydrophobicContact CD2-CE2 3.74Å; F137-Y168 PolarHBondContact N-OH 3.31Å; F137-Y168 WeakPolarHBondContact O-CE1 3.43Å; I159-Y168 HydrophobicContact CG2-CD1 4.14Å; P162-Y168 HydrophobicContact CB-CD1 3.99Å; P162-Y168 HydrophobicContact CB-CE1 3.92Å; Y168-K179 WeakPolarHBondContact O-CA 3.47Å; Y168-R180 PolarHBondContact N-O 3.45Å; Y168-R180 PolarHBondContact O-N 3.22Å; Y168-R180 VanDerWaalsContact O-O 3.12Å; Y168-A182 HydrophobicContact CD2-CB 4.37Å; Y168-A182 HydrophobicContact CE2-CB 4.06Å; Y168-I185 HydrophobicContact CD2-CD1 4.05Å; Y168-I185 HydrophobicContact CG-CD1 4.29Å
169E92.5Very high87.1Confident48 Ų4865.1 Ų65.122%0.22437%0.372CS..EExtended strand (participates in β ladder)trans-104.5120.3171.2-175.1175.2173.500108.1S160 K161 T163 P177S160-E169 WeakPolarHBondContact CB-O 3.38Å; S160-E169 PolarHBondContact N-O 2.88Å; S160-E169 WeakPolarHBondContact OG-CB 3.28Å; S160-E169 WeakPolarHBondContact OG-CG 3.5Å; S160-E169 PolarHBondContact OG-O 3.07Å; K161-E169 WeakPolarHBondContact CE-OE2 3.47Å; K161-E169 HydrophobicContact CG-CB 4.23Å; K161-E169 PolarHBondContact N-O 2.79Å; K161-E169 IonicContact NZ-OE2 3.63Å; K161-E169 PolarHBondContact O-N 2.84Å; T163-E169 PolarHBondContact OG1-N 2.87Å; E169-P177 HydrophobicContact CG-CB 4.07Å; E169-P177 VanDerWaalsContact OE1-CB 3.27Å; E169-P177 WeakPolarHBondContact OE1-CB 3.36Å
170A89.5Confident87Confident0 Ų067.9 Ų67.90%038%0.382CS..EExtended strand (participates in β ladder)trans-118.7141.4-179.900000110.3I145 A157 I158 I159 A178I145-A170 HydrophobicContact CG2-CB 3.66Å; A157-A170 HydrophobicContact CB-CB 3.96Å; I158-A170 CarbonylContact O-C 3.5Å; I158-A170 VanDerWaalsContact O-CA 3.27Å; I158-A170 WeakPolarHBondContact O-CA 3.27Å; I159-A170 HydrophobicContact CD1-CB 4.14Å; A170-A178 PolarHBondContact N-O 3.14Å; A170-A178 PolarHBondContact O-N 3.45Å
171T91.2Very high87.1Confident50 Ų5069.1 Ų69.131%0.30738%0.383SS..EExtended strand (participates in β ladder)trans-102.3117.6179-54.50000108.8A157 I158A157-T171 CarbonylContact C-O 3.58Å; A157-T171 VanDerWaalsContact CA-O 3.25Å; A157-T171 WeakPolarHBondContact CA-O 3.15Å; A157-T171 WeakPolarHBondContact CB-O 3.49Å; I158-T171 PolarHBondContact N-O 3.32Å; I158-T171 PolarHBondContact O-N 3.46Å
172T88.3Confident87.1Confident19 Ų1963.7 Ų63.712%0.11736%0.359CS..EExtended strand (participates in β ladder)trans-71.5169.8172.332.20000111.6I145 V155 A157 D174 G175 K176I145-T172 HydrophobicContact CD1-CG2 3.7Å; I145-T172 HydrophobicContact CG1-CG2 4.12Å; V155-T172 HydrophobicContact CB-CG2 4.26Å; V155-T172 HydrophobicContact CG1-CG2 3.61Å; A157-T172 HydrophobicContact CB-CG2 4.01Å; T172-D174 PolarHBondContact O-N 3.44Å; T172-D174 VanDerWaalsContact O-N 3.15Å; T172-G175 PolarHBondContact O-N 2.99Å; T172-K176 PolarHBondContact N-O 2.83Å; T172-K176 PolarHBondContact OG1-O 3.29Å
173Q81.1Confident86.9Confident154 Ų15464.1 Ų64.172%0.7236%0.357SS*.THydrogen-bonded Turntrans-56.3-28175.9-64.1-178-6.800113.2P156 G175P156-Q173 HydrophobicContact CG-CG 4.41Å; Q173-G175 PolarHBondContact O-N 3.34Å
174D81.4Confident86.9Confident128 Ų12862.8 Ų62.868%0.68435%0.348SS*.THydrogen-bonded Turntrans-72.8-0.4174.9-56.1-53.6000113.9T172 K176T172-D174 PolarHBondContact O-N 3.44Å; T172-D174 VanDerWaalsContact O-N 3.15Å; D174-K176 HydrophobicContact CB-CG 4.45Å; D174-K176 PolarHBondContact O-N 2.94Å
175G78.5Confident87.1Confident49 Ų4961.3 Ų61.351%0.50533%0.332SS..  trans744.8-178.100000114.7T172 Q173 P177T172-G175 PolarHBondContact O-N 2.99Å; Q173-G175 PolarHBondContact O-N 3.34Å; G175-P177 WeakPolarHBondContact O-CD 3.24Å
176K81.6Confident87.4Confident135 Ų13559 Ų5959%0.58731%0.31SS*.  trans-83120180-65.8-179.3-176.2171.20110.6T172 D174 A178T172-K176 PolarHBondContact N-O 2.83Å; T172-K176 PolarHBondContact OG1-O 3.29Å; D174-K176 HydrophobicContact CB-CG 4.45Å; D174-K176 PolarHBondContact O-N 2.94Å; K176-A178 PolarHBondContact O-N 3.5Å
177P85.3Confident87.5Confident83 Ų8362.6 Ų62.654%0.53932%0.322SS..EExtended strand (participates in β ladder)trans-72.3129175.127.6-32.1000110.7E169 G175E169-P177 HydrophobicContact CG-CB 4.07Å; E169-P177 VanDerWaalsContact OE1-CB 3.27Å; E169-P177 WeakPolarHBondContact OE1-CB 3.36Å; G175-P177 WeakPolarHBondContact O-CD 3.24Å
178A85.1Confident87.2Confident17 Ų1766.8 Ų66.814%0.1433%0.334CS..EExtended strand (participates in β ladder)trans-123.4120.8177.900000110.8I145 A170 K176I145-A178 HydrophobicContact CD1-CB 3.86Å; A170-A178 PolarHBondContact N-O 3.14Å; A170-A178 PolarHBondContact O-N 3.45Å; K176-A178 PolarHBondContact O-N 3.5Å
179K89.4Confident86.2Confident127 Ų12769.5 Ų69.555%0.55236%0.356SS*.EExtended strand (participates in β ladder)trans-75.4125.8170.5-176.7179-179.3171.40110.2T163 Y168T163-K179 HydrophobicContact CG2-CD 3.91Å; T163-K179 HydrophobicContact CG2-CG 4.38Å; Y168-K179 WeakPolarHBondContact O-CA 3.47Å
180R89.9Confident84.6Confident60 Ų6072.9 Ų72.923%0.22638%0.382CS..EExtended strand (participates in β ladder)trans-137.8151.7178.3-65.1-64.6-179.8-1032.2111.2I145 R146 S167 Y168 I185I145-R180 HydrophobicContact CB-CG 4.31Å; R146-R180 PolarHBondContact O-NE 3.4Å; S167-R180 CarbonylContact C-O 3.56Å; S167-R180 VanDerWaalsContact CA-O 3.31Å; S167-R180 WeakPolarHBondContact CA-O 3.49Å; Y168-R180 PolarHBondContact N-O 3.45Å; Y168-R180 PolarHBondContact O-N 3.22Å; Y168-R180 VanDerWaalsContact O-O 3.12Å; R180-I185 HydrophobicContact CB-CD1 4.06Å; R180-I185 HydrophobicContact CB-CG1 3.92Å
181H90.7Very high82.9Confident72 Ų7281 Ų8133%0.33342%0.42SS..EExtended strand (participates in β ladder)trans-82.8151.8173.6-167.5-85.5000109.1V166 D183 L184V166-H181 WeakPolarHBondContact CB-NE2 3.29Å; V166-H181 WeakPolarHBondContact CG1-CE1 3.45Å; V166-H181 CarbonylContact O-C 3.54Å; V166-H181 VanDerWaalsContact O-CA 3.31Å; V166-H181 WeakPolarHBondContact O-CA 3.27Å; V166-H181 PolarHBondContact O-CD2 3.1Å; V166-H181 VanDerWaalsContact O-CG 3.22Å; H181-D183 VanDerWaalsContact C-N 3.29Å; H181-D183 VanDerWaalsContact CB-OD1 3.24Å; H181-D183 WeakPolarHBondContact CB-OD1 3.26Å; H181-D183 IonicContact CE1-OD1 3.83Å; H181-D183 IonicContact CG-OD1 3.3Å; H181-D183 VanDerWaalsContact CG-OD1 3.3Å; H181-D183 IonicContact ND1-OD1 2.69Å; H181-D183 PolarHBondContact ND1-OD1 2.85Å; H181-D183 IonicContact ND1-OD2 3.88Å; H181-D183 PolarHBondContact O-N 3.38Å; H181-L184 WeakPolarHBondContact O-CA 3.12Å; H181-L184 WeakPolarHBondContact O-CB 3.27Å; H181-L184 PolarHBondContact O-N 2.86Å
182A87.9Confident80.8Confident1 Ų186.2 Ų86.21%0.00845%0.446CS..G310 helixtrans-58.1-38.5-169.500000113.4Q135 F137 V166 Y168 L184 I185Q135-A182 HydrophobicContact CG-CB 4.38Å; Q135-A182 PolarHBondContact NE2-O 3.25Å; Q135-A182 WeakPolarHBondContact O-CB 3.48Å; F137-A182 HydrophobicContact CE2-CB 4.22Å; V166-A182 HydrophobicContact CG1-CB 3.53Å; V166-A182 PolarHBondContact O-N 3.46Å; Y168-A182 HydrophobicContact CD2-CB 4.37Å; Y168-A182 HydrophobicContact CE2-CB 4.06Å; A182-L184 PolarHBondContact O-N 3.49Å; A182-L184 VanDerWaalsContact O-N 3.16Å; A182-I185 WeakPolarHBondContact O-CB 3.49Å; A182-I185 PolarHBondContact O-N 3.5Å
183D86.5Confident78.6Confident88 Ų8889.6 Ų89.647%0.47147%0.47SS..G310 helixtrans-58.1-22.1173.564.1-25000114.1H181H181-D183 VanDerWaalsContact C-N 3.29Å; H181-D183 VanDerWaalsContact CB-OD1 3.24Å; H181-D183 WeakPolarHBondContact CB-OD1 3.26Å; H181-D183 IonicContact CE1-OD1 3.83Å; H181-D183 IonicContact CG-OD1 3.3Å; H181-D183 VanDerWaalsContact CG-OD1 3.3Å; H181-D183 IonicContact ND1-OD1 2.69Å; H181-D183 PolarHBondContact ND1-OD1 2.85Å; H181-D183 IonicContact ND1-OD2 3.88Å; H181-D183 PolarHBondContact O-N 3.38Å
184L90.3Very high76.7Confident30 Ų3087.9 Ų87.916%0.15747%0.473CS..G310 helixtrans-97.311.2176.8-54.4-176.4000113.2R146 Y148 W154 H181 A182R146-L184 HydrophobicContact CB-CB 4.13Å; R146-L184 PolarHBondContact N-O 2.92Å; Y148-L184 WeakPolarHBondContact OH-CD1 3.31Å; W154-L184 WeakPolarHBondContact CZ3-O 3.4Å; H181-L184 WeakPolarHBondContact O-CA 3.12Å; H181-L184 WeakPolarHBondContact O-CB 3.27Å; H181-L184 PolarHBondContact O-N 2.86Å; A182-L184 PolarHBondContact O-N 3.49Å; A182-L184 VanDerWaalsContact O-N 3.16Å
185I90.2Very high74.5Confident0 Ų089.2 Ų89.20%048%0.48CS..EExtended strand (participates in β ladder)trans-124.3131.8179.4-56.6175.6000107.7Q135 F137 V143 Y144 I145 I159 Y168 R180 A182Q135-I185 PolarHBondContact NE2-O 3.07Å; F137-I185 HydrophobicContact CD1-CG2 4.27Å; F137-I185 HydrophobicContact CD2-CB 4.43Å; F137-I185 HydrophobicContact CD2-CG2 4.09Å; F137-I185 HydrophobicContact CE1-CG2 3.81Å; F137-I185 HydrophobicContact CE2-CB 3.7Å; F137-I185 HydrophobicContact CE2-CG2 3.65Å; F137-I185 HydrophobicContact CG-CG2 4.39Å; F137-I185 HydrophobicContact CZ-CB 3.79Å; F137-I185 HydrophobicContact CZ-CG2 3.5Å; F137-I185 WeakPolarHBondContact CZ-O 3.45Å; V143-I185 HydrophobicContact CB-CG2 3.58Å; V143-I185 HydrophobicContact CG1-CG2 3.8Å; V143-I185 HydrophobicContact CG2-CG2 3.71Å; Y144-I185 CarbonylContact O-C 3.56Å; Y144-I185 WeakPolarHBondContact O-CA 3.4Å; I145-I185 HydrophobicContact CG2-CG1 4.21Å; I159-I185 HydrophobicContact CD1-CD1 4.12Å; I159-I185 HydrophobicContact CD1-CG2 4.11Å; Y168-I185 HydrophobicContact CD2-CD1 4.05Å; Y168-I185 HydrophobicContact CG-CD1 4.29Å; R180-I185 HydrophobicContact CB-CD1 4.06Å; R180-I185 HydrophobicContact CB-CG1 3.92Å; A182-I185 WeakPolarHBondContact O-CB 3.49Å; A182-I185 PolarHBondContact O-N 3.5Å
186Q89.1Confident72.3Confident90 Ų9090.2 Ų90.242%0.42149%0.49SS..EExtended strand (participates in β ladder)trans-121.6140.8178.5-65.5-177.5600110.8V143 Y144 W154 R188V143-Q186 CarbonylContact C-O 3.43Å; V143-Q186 WeakPolarHBondContact CA-O 3.47Å; V143-Q186 VanDerWaalsContact CB-O 3.23Å; V143-Q186 WeakPolarHBondContact CB-O 3.35Å; Y144-Q186 PolarHBondContact N-O 3.15Å; Y144-Q186 PolarHBondContact O-N 3.13Å; W154-Q186 HydrophobicContact CE3-CG 4.3Å; W154-Q186 HydrophobicContact CH2-CG 3.81Å; W154-Q186 HydrophobicContact CZ2-CG 4.47Å; W154-Q186 HydrophobicContact CZ3-CB 4.43Å; W154-Q186 HydrophobicContact CZ3-CG 3.7Å; Q186-R188 PolarHBondContact O-N 2.98Å
187K87.2Confident70.3Confident119 Ų11991.8 Ų91.852%0.51751%0.505SS..EExtended strand (participates in β ladder)trans-65.1133.3175.8-66.9-173.8173.21740110.5F137 E141F137-K187 HydrophobicContact CD1-CG 4.17Å; F137-K187 HydrophobicContact CE1-CG 3.59Å; E141-K187 WeakPolarHBondContact OE1-CE 3.31Å
188R83.6Confident67.9Low113 Ų11395 Ų9543%0.42652%0.522SS..  trans-94.397.9171.8-176.5175.8-179.4-168.50.2108.8A142 Y144 Q186A142-R188 HydrophobicContact CB-CB 4.35Å; A142-R188 VanDerWaalsContact O-CB 3.29Å; A142-R188 WeakPolarHBondContact O-CB 3.44Å; A142-R188 PolarHBondContact O-N 2.8Å; A142-R188 VanDerWaalsContact O-N 3.07Å; Y144-R188 HydrophobicContact CD2-CB 4.1Å; Y144-R188 HydrophobicContact CD2-CG 4.34Å; Y144-R188 HydrophobicContact CE2-CB 3.88Å; Y144-R188 HydrophobicContact CE2-CG 3.62Å; Y144-R188 PolarHBondContact OH-NE 3.42Å; Q186-R188 PolarHBondContact O-N 2.98Å
189S69.9Low65.6Low77 Ų7798.3 Ų98.354%0.53855%0.55SS.*  trans-70.5127.3163.3-177.80000108.6E191S189-E191 PolarHBondContact O-N 3.03Å; S189-E191 VanDerWaalsContact O-N 3.08Å
190P59.3Low62.9Low119 Ų11998.1 Ų98.177%0.77357%0.565SS**THydrogen-bonded Turntrans-70.33.2179.827.5-32.9000114.2N192P190-N192 VanDerWaalsContact C-N 3.34Å; P190-N192 PolarHBondContact O-N 3.24Å
191E53.6Low60.7Low169 Ų169100.6 Ų100.679%0.7959%0.589SS**THydrogen-bonded Turntrans-77.7-15.2-176.6-160.7168-16300114.3S189 S193S189-E191 PolarHBondContact O-N 3.03Å; S189-E191 VanDerWaalsContact O-N 3.08Å; E191-S193 PolarHBondContact O-N 3.44Å
192N47.2Very low58.5Low161 Ų161102.8 Ų102.886%0.86161%0.609SS**  trans-90.273.6172-80.2-22.7000111.1P190P190-N192 VanDerWaalsContact C-N 3.34Å; P190-N192 PolarHBondContact O-N 3.24Å
193S42.9Very low55.8Low90 Ų90107.9 Ų107.963%0.62965%0.645SS**  trans-142.2115.5156.9-152.50000108.9E191E191-S193 PolarHBondContact O-N 3.44Å
194P40.6Very low53.9Low118 Ų118109.7 Ų109.777%0.76666%0.662SS**SBendtrans-68.3135.6170.429-29.2000108.3
195N36Very low51.2Low155 Ų155114 Ų11483%0.82969%0.689SS**SBendtrans78.9111.9180-58.4-31.9000116.1
196G30.8Very low48.7Very low71 Ų71122.9 Ų122.973%0.73273%0.73SS**  trans-59141.1168.200000111.9
197N40.5Very low46.3Very low168 Ų168122.6 Ų122.690%0.89874%0.743SS**  trans-145.3124.6139.8-91.2-29.9000107.8
198V34.1Very low44.1Very low149 Ų149125.9 Ų125.990%0.90376%0.761SS**  trans-58.5125.9176.5172.70000110
199A38.6Very low41.6Very low87 Ų87130.3 Ų130.372%0.71978%0.783SS**  trans-170.379.7149.200000110.5
200S32.7Very low40Very low123 Ų123130.9 Ų130.986%0.8679%0.792SS**  trans-87120151.1-57.10000107.1
201P42.9Very low38.8Very low113 Ų113132.2 Ų132.273%0.73480%0.799SS**  -149.9174.9126.541-23.9000112.3
202P44.7Very low38.1Very low118 Ų118129.9 Ų129.977%0.76680%0.796SS**  -117.9165.1-83.627.9-8.2000112.8P204P202-P204 WeakPolarHBondContact O-CD 3.31Å
203S32Very low37.8Very low107 Ų107127.6 Ų127.675%0.74879%0.79SS**  trans-47.7125.8165.7-740000112.9V205S203-V205 PolarHBondContact O-N 3.08Å
204P46.1Very low38Very low127 Ų127131.6 Ų131.683%0.82580%0.799SS**  trans-80.8102.4147.313.34.7000107.5P202P202-P204 WeakPolarHBondContact O-CD 3.31Å
205V32.1Very low38Very low121 Ų121131.1 Ų131.173%0.73380%0.795SS**  trans-73.4130.4156.5175.20000106.7S203S203-V205 PolarHBondContact O-N 3.08Å
206Q37.8Very low38.5Very low185 Ų185130.7 Ų130.786%0.86479%0.793SS**  trans131.4136.1167.3-76.4162.81700109.1
207A39.8Very low39.4Very low84 Ų84132.4 Ų132.469%0.69479%0.791SS**  cis-172.9168.9-6.700000106.3
208E41.2Very low39.9Very low189 Ų189130 Ų13088%0.88379%0.787SS**  trans75.383.3154.3-69.6-178.8164.600120.7
209K30.3Very low40.6Very low206 Ų206128.3 Ų128.390%0.89678%0.777SS**  -9.1135.7128.7-168176.7-176.8-178.90117.8
210A35.8Very low41.1Very low89 Ų89129.6 Ų129.674%0.73678%0.779SS**  trans83.390.4154.500000118.1
211T35.4Very low42Very low147 Ų147129.5 Ų129.590%0.90278%0.778SS**  trans-108.6123.7145.2-65.30000109.2
212T38.1Very low42.7Very low119 Ų119135.2 Ų135.273%0.7378%0.784SS**PPolyproline II helixtrans-48.6151.2179.7-56.70000114.2
213P41.2Very low43.2Very low113 Ų113135 Ų13573%0.73478%0.784SS**PPolyproline II helixtrans-76.7134.6-164.22.813.1000112.4
214Q47.2Very low44.6Very low175 Ų175140 Ų14082%0.81879%0.791SS**PPolyproline II helixtrans-87.4148.9163.5-74.3-70.8-65.800109.9
215P41.1Very low44.9Very low108 Ų108144.5 Ų144.570%0.70179%0.792SS**PPolyproline II helixtrans-72.4135.5-167.559.4000111.3P217P215-P217 WeakPolarHBondContact O-CD 3.38Å
216D45.5Very low46.5Very low146 Ų146145.5 Ų145.578%0.78179%0.792SS**PPolyproline II helixtrans-50.5118.3178.1-86.4-42.8000111.6S218D216-S218 PolarHBondContact O-N 2.85Å; D216-S218 VanDerWaalsContact O-N 3.1Å
217P51.4Low47.7Very low107 Ų107147.7 Ų147.770%0.69579%0.792SS**  trans-65.1115.3162.627-29.7000106.9P215 V219P215-P217 WeakPolarHBondContact O-CD 3.38Å; P217-V219 PolarHBondContact O-N 3.2Å
218S50.7Low49Very low116 Ų116150.5 Ų150.581%0.81180%0.796SS**  trans-19.791.3172.956.40000113.3D216 P220D216-S218 PolarHBondContact O-N 2.85Å; D216-S218 VanDerWaalsContact O-N 3.1Å; S218-P220 WeakPolarHBondContact O-CD 3.45Å
219V48.1Very low49.9Very low114 Ų114147.6 Ų147.669%0.69178%0.777SS**PPolyproline II helixtrans-69.9120.6179.5-179.70000107P217 S221P217-V219 PolarHBondContact O-N 3.2Å; V219-S221 PolarHBondContact O-N 3.26Å
220P49.2Very low51.6Low115 Ų115140.9 Ų140.975%0.74775%0.754SS**PPolyproline II helixtrans-57.1131.9-179.721-31000109.8S218 R222S218-P220 WeakPolarHBondContact O-CD 3.45Å; P220-R222 PolarHBondContact O-N 3.03Å
221S51.9Low53.3Low120 Ų120140 Ų14084%0.83975%0.746SS**PPolyproline II helixtrans-54.5134.1-178.7-64.40000111.1V219V219-S221 PolarHBondContact O-N 3.26Å
222R58Low54.8Low233 Ų233140 Ų14088%0.87973%0.731SS**PPolyproline II helixtrans-55129.3-178.4-174.1-178.8-167.6-140.57.1111P220 K224P220-R222 PolarHBondContact O-N 3.03Å; R222-K224 PolarHBondContact O-N 2.79Å
223P55.4Low56.1Low115 Ų115137.1 Ų137.175%0.74771%0.711SS**PPolyproline II helixtrans-61.9133.4177.522.9-31.9000111.2R225P223-R225 PolarHBondContact O-N 3.11Å
224K59.8Low57.4Low210 Ų210138.4 Ų138.491%0.91371%0.705SS**  trans-73.497.9178.7-164.8173.1-174.2177.80109.2R222 I226R222-K224 PolarHBondContact O-N 2.79Å; K224-I226 PolarHBondContact O-N 3.22Å
225R53.2Low58.5Low222 Ų222136.7 Ų136.784%0.83870%0.701SS**  trans-74.1122.4177.9-169.3178.3-178.1-159.91110.5P223 R227P223-R225 PolarHBondContact O-N 3.11Å; R225-R227 PolarHBondContact O-N 3.32Å
226I66.4Low59.1Low143 Ų143138.2 Ų138.273%0.73369%0.694SS**  trans-71.3121168.7-59.1170000107.7K224K224-I226 PolarHBondContact O-N 3.22Å
227R62.1Low60Low231 Ų231137.8 Ų137.887%0.87270%0.696SS**  trans-91.5111.7174-65-175179.7-157.10.7108.3R225R225-R227 PolarHBondContact O-N 3.32Å
228N66.4Low60Low143 Ų143142 Ų14277%0.76573%0.726SS**PPolyproline II helixtrans-81.6124.6172.2-75.2-7.6000109.7
229R61.7Low60.5Low128 Ų128143.4 Ų143.448%0.48372%0.722SS.*PPolyproline II helixtrans-66.9135.7169.1-172.4179.1-171.8-163.4-0.8108.9L233R229-L233 HydrophobicContact CG-CB 4.04Å; R229-L233 HydrophobicContact CG-CD2 4.35Å; R229-L233 VanDerWaalsContact NE-CD2 3.31Å; R229-L233 PolarHBondContact NH1-O 3.35Å; R229-L233 PolarHBondContact NH2-O 3.37Å
230P65.3Low61.2Low65 Ų65144.9 Ų144.942%0.42272%0.724SS.*PPolyproline II helixtrans-55.1146.4173.9-23.732.5000112.1Y232 L233P230-Y232 VanDerWaalsContact C-N 3.33Å; P230-Y232 HydrophobicContact CB-CD1 3.62Å; P230-Y232 HydrophobicContact CB-CE1 3.3Å; P230-Y232 HydrophobicContact CG-CE1 4.01Å; P230-Y232 PolarHBondContact O-N 3.49Å; P230-L233 PolarHBondContact O-N 3.11Å
231A70.9Confident61.8Low69 Ų69146.6 Ų146.657%0.5772%0.722SS**G310 helixtrans-60.7-39.5-174.600000113.2L233 K234A231-L233 PolarHBondContact O-N 3Å; A231-L233 VanDerWaalsContact O-N 3.08Å; A231-K234 WeakPolarHBondContact O-CB 3.29Å; A231-K234 WeakPolarHBondContact O-CG 3.25Å; A231-K234 PolarHBondContact O-N 3.13Å; A231-K234 VanDerWaalsContact O-N 3.12Å
232Y68Low62.4Low147 Ų147148.1 Ų148.158%0.57672%0.716SS**G310 helixtrans-65.7-12.4-177.771.7-92.3000114.3P230P230-Y232 VanDerWaalsContact C-N 3.33Å; P230-Y232 HydrophobicContact CB-CD1 3.62Å; P230-Y232 HydrophobicContact CB-CE1 3.3Å; P230-Y232 HydrophobicContact CG-CE1 4.01Å; P230-Y232 PolarHBondContact O-N 3.49Å
233L65.3Low62.7Low59 Ų59142.8 Ų142.831%0.30971%0.705SS.*G310 helixtrans-95.4-10179.9-134.781.1000112.1R229 P230 A231 D235 Y236R229-L233 HydrophobicContact CG-CB 4.04Å; R229-L233 HydrophobicContact CG-CD2 4.35Å; R229-L233 VanDerWaalsContact NE-CD2 3.31Å; R229-L233 PolarHBondContact NH1-O 3.35Å; R229-L233 PolarHBondContact NH2-O 3.37Å; P230-L233 PolarHBondContact O-N 3.11Å; A231-L233 PolarHBondContact O-N 3Å; A231-L233 VanDerWaalsContact O-N 3.08Å; L233-D235 PolarHBondContact O-N 3.3Å; L233-Y236 PolarHBondContact O-N 3.38Å
234K67.6Low63.2Low141 Ų141144.7 Ų144.761%0.61370%0.703SS**THydrogen-bonded Turntrans-64-27.3-176.4-68.5176.7179178.10113.1A231 Y236A231-K234 WeakPolarHBondContact O-CB 3.29Å; A231-K234 WeakPolarHBondContact O-CG 3.25Å; A231-K234 PolarHBondContact O-N 3.13Å; A231-K234 VanDerWaalsContact O-N 3.12Å; K234-Y236 VanDerWaalsContact C-N 3.3Å; K234-Y236 PolarHBondContact O-N 3.16Å
235D70.6Confident63.4Low138 Ų138140 Ų14074%0.73869%0.688SS**THydrogen-bonded Turntrans-87.4-3.5-171.7-45.2-20.4000112.4L233 V237L233-D235 PolarHBondContact O-N 3.3Å; D235-V237 PolarHBondContact O-N 3.48Å
236Y54.1Low64.2Low141 Ų141133.7 Ų133.755%0.55368%0.676SS**  trans-80.998.6170.9-83.1-92.8000109.8L233 K234L233-Y236 PolarHBondContact O-N 3.38Å; K234-Y236 VanDerWaalsContact C-N 3.3Å; K234-Y236 PolarHBondContact O-N 3.16Å
237V63.2Low64Low137 Ų137132.9 Ų132.983%0.8367%0.671SS**  trans-83.8120.7163.3-175.70000107.3D235D235-V237 PolarHBondContact O-N 3.48Å
238C53.5Low64.2Low196 Ų196124 Ų124100%1.32465%0.653SS**  trans-77.90167-71.20000110.5

Retrieved 238 of 238 residues in 95.6 ms (Link to these results)