A0A077Z8H4_TRITR Loading...

Cwf18 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8H4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 165 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
1M59.5Low56.6Low249 Ų249157.9 Ų157.9100%1.22783%0.831SS**  0103.90-160.1120141.800107
2V47.8Very low56.4Low123 Ų123157.3 Ų157.375%0.74583%0.829SS**  trans-90.7132.3179.3170.40000107.8L4V2-L4 HydrophobicContact CG1-CD1 4.36Å
3I57.8Low56.9Low164 Ų164156.6 Ų156.684%0.84183%0.826SS**  trans-17095.1145.2-56.8-164.1000106.8
4L50.2Low56.9Low140 Ų140153.3 Ų153.373%0.73382%0.822SS**  37106.686.3-100.589.6000116.9V2V2-L4 HydrophobicContact CG1-CD1 4.36Å
5G56.2Low56.5Low82 Ų82152.3 Ų152.385%0.84582%0.816SS**  trans-143.796.5168.500000112
6Q59.7Low56.9Low169 Ų169149.9 Ų149.979%0.7982%0.815SS**  trans-71.6153.7176.6-67.4-91.9-22.800112
7G57.6Low56.1Low76 Ų76152.2 Ų152.278%0.78482%0.816SS**  trans-178.977.6167.600000117.4
8K60.6Low56.2Low181 Ų181150.7 Ų150.779%0.78782%0.818SS**  trans-54150.4171.4-61.7-175.6172.9-176.20114
9R56.7Low55.3Low232 Ų232151.3 Ų151.388%0.87582%0.821SS**  176.2123.8111.2-91.1160.8-129.3-134.16112.6
10S53.9Low55.2Low95 Ų95147.6 Ų147.666%0.66482%0.82SS**  trans-79.1154.7165.785.80000110.4
11R62.4Low54.6Low226 Ų226148.6 Ų148.685%0.85382%0.818SS**  trans-154.3123.9144.2-73.6-155.116990.9-2.2110.3
12D54.2Low54.2Low150 Ų150145.9 Ų145.980%0.80280%0.802SS**  trans-68.9141.1175.9-43.9-66.3000110.5
13N63.2Low54.1Low149 Ų149146 Ų14680%0.79780%0.798SS**  trans-128.195.1168.4-165.929.1000109.5
14S57Low53.5Low110 Ų110146.5 Ų146.577%0.76980%0.797SS**  trans-84.7115.9173.355.40000110.1
15L51.2Low53.5Low138 Ų138145.9 Ų145.972%0.72380%0.804SS**  trans-84108.6170.3-81.5153.5000109.8F17L15-F17 HydrophobicContact CB-CE2 4.38Å
16S62.6Low53.2Low114 Ų114146.9 Ų146.980%0.79781%0.805SS**PPolyproline II helixtrans-95.6117166.757.60000109.9
17F43.5Very low52.8Low190 Ų190146.7 Ų146.783%0.83381%0.809SS**PPolyproline II helixtrans-95.9117.2166.4-73-83.1000109L15L15-F17 HydrophobicContact CB-CE2 4.38Å
18S57.9Low52.5Low124 Ų124148.3 Ų148.387%0.86781%0.808SS**PPolyproline II helixtrans-101.4118.2168.967.70000110.1
19N39.1Very low52.1Low162 Ų162145.2 Ų145.287%0.86681%0.807SS**PPolyproline II helixtrans-84.3131.5172-158.262.2000109.1
20G52.3Low51.7Low77 Ų77143.2 Ų143.279%0.79480%0.804SS**  trans-137.593.8176.800000110.8
21H42.8Very low51.4Low170 Ų170144.2 Ų144.279%0.78780%0.803SS**  trans-90.4128.5169.8-149.666.8000107.4
22H51.5Low51Low191 Ų191141.5 Ų141.588%0.88480%0.799SS**  trans-119.7115.6175.6-120-71.2000109.2
23D46.8Very low50.7Low126 Ų126138.9 Ų138.967%0.67480%0.799SS**  trans-78.9145174.2-99.4-35.4000112.4
24E44.4Very low50Low174 Ų174136.4 Ų136.481%0.81380%0.799SS**  54.1112.3128.4-155.4173.6-166.400120.6
25S51Low49.8Very low127 Ų127140 Ų14089%0.88880%0.8SS**  179.7138.3119.136.60000112.4
26A48.5Very low49.7Very low103 Ų103139 Ų13985%0.85180%0.796SS**  trans-89.6149.2-176.300000112.9
27D52.1Low49.3Very low166 Ų166140.4 Ų140.489%0.88880%0.795SS**  trans-158.7143.9134.3-158.59.5000110.9
28S51.9Low49.5Very low109 Ų109136.3 Ų136.376%0.76279%0.79SS**  trans-115.2168.7-165.5-105.30000113.3
29P51.6Low49.2Very low116 Ų116139.1 Ų139.175%0.75379%0.789SS**  trans-107.6174-149.340.8-35.1000115.8
30K47.1Very low49.2Very low190 Ų190143.9 Ų143.983%0.82680%0.795SS**  trans-174.5148.1162.7-95.8162.8-172.7-179.30106.5
31N48.6Very low48.7Very low117 Ų117144.8 Ų144.863%0.62679%0.789SS**  cis-171.3140.413.5-113.9-15.1000109.3
32Q53.9Low48.7Very low168 Ų168141.6 Ų141.679%0.78579%0.786SS**  67.1148.3128.9-59.4177.339.300125.4
33A47.2Very low47.9Very low95 Ų95139 Ų13979%0.78578%0.784SS**  trans96.891.2166.200000115.9
34A49.5Very low48Very low97 Ų97138.8 Ų138.880%0.80279%0.787SS**  79.3102.975.100000114.4
35K52.2Low48.2Very low185 Ų185136.1 Ų136.180%0.80478%0.783SS**  176.2136.4125-110.5178.9166.7179.10114.1
36D49.5Very low47.9Very low119 Ų119139.2 Ų139.264%0.63678%0.78SS**  trans70.8122.8143-65-18.8000122.7
37D54.2Low48.2Very low142 Ų142142 Ų14276%0.75977%0.773SS**  trans81.396.6138.2-61-24000121.1
38S46.6Very low48.5Very low105 Ų105141.4 Ų141.473%0.73477%0.77SS**  53.790.3116.8-173.90000117.2
39E52.2Low49.5Very low183 Ų183139.9 Ų139.986%0.85576%0.764SS**  trans-175.7100.8130.3-101.5170.5-149.400109.8S41E39-S41 PolarHBondContact O-N 3.29Å
40R39.1Very low50.8Low262 Ų262139.1 Ų139.199%0.98976%0.757SS**  trans-91.278.9174.9-152.9177.7-165.4-176.63.8108
41S41.7Very low52.6Low95 Ų95134.3 Ų134.366%0.66474%0.74SS**  trans-126.3103.7173.5-172.40000110.4E39E39-S41 PolarHBondContact O-N 3.29Å
42S42.9Very low54.4Low104 Ų104135.3 Ų135.373%0.72774%0.738SS**  trans37.998154.259.40000118.8V44S42-V44 PolarHBondContact O-N 3.09Å
43T34.7Very low56.1Low137 Ų137128.4 Ų128.484%0.8471%0.706SS**  trans-39.4117.1151.150.60000114
44V50Low58.1Low121 Ų121132 Ų13273%0.73370%0.699SS**  trans-163.1102.6135.1-177.90000107.2S42 K46 F47S42-V44 PolarHBondContact O-N 3.09Å; V44-K46 PolarHBondContact O-N 2.93Å; V44-F47 HydrophobicContact CG1-CD2 4.21Å
45T47.1Very low60Low118 Ų118134.8 Ų134.872%0.72470%0.701SS**  trans-56.8125.1164.742.80000109.4F47T45-F47 VanDerWaalsContact O-CD2 3.28Å; T45-F47 WeakPolarHBondContact O-CD2 3.36Å; T45-F47 PolarHBondContact O-N 3.46Å
46K45.2Very low61.8Low192 Ų192132.6 Ų132.684%0.83569%0.689SS**  trans-35.5104174.1-76.9174.6174.1175.30111.9V44V44-K46 PolarHBondContact O-N 2.93Å
47F54.5Low63.5Low162 Ų162134.6 Ų134.671%0.71169%0.691SS**  trans-87.8101158.5-72.3-84.6000106.5V44 T45 A49V44-F47 HydrophobicContact CG1-CD2 4.21Å; T45-F47 VanDerWaalsContact O-CD2 3.28Å; T45-F47 WeakPolarHBondContact O-CD2 3.36Å; T45-F47 PolarHBondContact O-N 3.46Å; F47-A49 HydrophobicContact CB-CB 4.3Å; F47-A49 PolarHBondContact O-N 3.13Å
48D60Low65.2Low152 Ų152128.7 Ų128.781%0.81366%0.661SS**  trans-70.926.6166.8-64.9-31.7000111.7V50D48-V50 PolarHBondContact O-N 3.45Å
49A71.2Confident67.1Low78 Ų78132.6 Ų132.665%0.64567%0.673SS**  trans-87.499.2179.500000109.1F47 L51F47-A49 HydrophobicContact CB-CB 4.3Å; F47-A49 PolarHBondContact O-N 3.13Å; A49-L51 PolarHBondContact O-N 3.31Å
50V80.4Confident68.8Low99 Ų99128 Ų12860%0.665%0.654SS**  trans-61.6122.7171.4-179.70000109.2D48 K52 F66D48-V50 PolarHBondContact O-N 3.45Å; V50-K52 PolarHBondContact O-N 3.37Å; V50-F66 HydrophobicContact CG1-CD1 4.22Å; V50-F66 HydrophobicContact CG1-CE1 4.25Å
51L83.6Confident71Confident89 Ų89119.7 Ų119.747%0.46664%0.636SS.*  trans-53.4130.4175.5-176.961.8000110A49 F53 L63 F66A49-L51 PolarHBondContact O-N 3.31Å; L51-F53 HydrophobicContact CD1-CE1 4.39Å; L51-F53 HydrophobicContact CD1-CZ 4.13Å; L51-F53 HydrophobicContact CD2-CE2 3.93Å; L51-F53 HydrophobicContact CD2-CZ 3.76Å; L51-F53 HydrophobicContact CG-CE2 4Å; L51-F53 HydrophobicContact CG-CZ 3.95Å; L51-L63 HydrophobicContact CD2-CD2 4.06Å; L51-F66 HydrophobicContact CB-CD1 4.35Å; L51-F66 HydrophobicContact CB-CG 4.34Å; L51-F66 HydrophobicContact CD2-CD2 4.42Å; L51-F66 HydrophobicContact CG-CB 4.48Å; L51-F66 VanDerWaalsContact O-CB 3.28Å; L51-F66 WeakPolarHBondContact O-CB 3.4Å; L51-F66 WeakPolarHBondContact O-CD1 3.33Å; L51-F66 WeakPolarHBondContact O-CG 3.47Å
52K88Confident73.1Confident138 Ų138121.6 Ų121.660%0.663%0.634SS**  trans-143.1125.2179-72.2179.9-172.7177.20111.4V50 F66 V68V50-K52 PolarHBondContact O-N 3.37Å; K52-F66 CarbonylContact C-O 3.6Å; K52-F66 VanDerWaalsContact CA-O 3.22Å; K52-F66 WeakPolarHBondContact CA-O 3.41Å; K52-V68 HydrophobicContact CB-CG2 3.9Å; K52-V68 HydrophobicContact CD-CG2 4.12Å; K52-V68 HydrophobicContact CG-CG2 4.18Å
53F88.6Confident75Confident23 Ų23119.7 Ų119.710%0.10162%0.615CS.*BIsolated β-bridgetrans-98.7116.9177.9-58-77.1000110.6L51 Y56 P58 L63 F66 T67 V68L51-F53 HydrophobicContact CD1-CE1 4.39Å; L51-F53 HydrophobicContact CD1-CZ 4.13Å; L51-F53 HydrophobicContact CD2-CE2 3.93Å; L51-F53 HydrophobicContact CD2-CZ 3.76Å; L51-F53 HydrophobicContact CG-CE2 4Å; L51-F53 HydrophobicContact CG-CZ 3.95Å; F53-Y56 HydrophobicContact CD1-CE1 4.04Å; F53-Y56 AromaticContact CD1-CE2 3.76Å; F53-Y56 HydrophobicContact CD1-CE2 3.76Å; F53-Y56 AromaticContact CD1-CZ 3.41Å; F53-Y56 VanDerWaalsContact CD1-CZ 3.41Å; F53-Y56 VanDerWaalsContact CD1-OH 3.27Å; F53-Y56 WeakPolarHBondContact CD1-OH 3.42Å; F53-Y56 HydrophobicContact CE1-CE2 4.1Å; F53-Y56 AromaticContact CE1-CZ 3.73Å; F53-Y56 WeakPolarHBondContact CE1-OH 3.42Å; F53-Y56 HydrophobicContact CG-CE2 4.45Å; F53-P58 HydrophobicContact CD2-CG 3.8Å; F53-P58 HydrophobicContact CE2-CG 3.95Å; F53-P58 HydrophobicContact CG-CG 4.26Å; F53-L63 WeakPolarHBondContact CD2-O 3.43Å; F53-L63 HydrophobicContact CE2-CB 3.88Å; F53-L63 HydrophobicContact CE2-CD2 4.29Å; F53-L63 WeakPolarHBondContact CE2-O 3.33Å; F53-L63 HydrophobicContact CZ-CB 4.25Å; F53-L63 HydrophobicContact CZ-CD1 4.47Å; F53-L63 HydrophobicContact CZ-CD2 4.23Å; F53-F66 HydrophobicContact CD2-CB 3.82Å; F53-F66 HydrophobicContact CE2-CB 3.91Å; F53-F66 PolarHBondContact N-O 3.26Å; F53-T67 HydrophobicContact CB-CG2 4.1Å; F53-T67 WeakPolarHBondContact O-CA 3.35Å; F53-V68 PolarHBondContact O-N 2.91Å
54R89.4Confident77.3Confident170 Ų170115 Ų11564%0.64259%0.591SS**SBendtrans-105.4-32.5-178.8-57.9177.577.4106-0.1113.5V68 L70R54-V68 HydrophobicContact CG-CB 4.32Å; R54-V68 HydrophobicContact CG-CG2 4.27Å; R54-L70 WeakPolarHBondContact O-CD1 3.49Å
55N88.8Confident78.9Confident157 Ų157119.3 Ų119.384%0.8459%0.594SS**SBendtrans-95.8-19.4-169.6-64.5-4.6000113.8
56Y90Very high80.6Confident139 Ų139117.5 Ų117.555%0.54558%0.576SS.*  trans-149.3163.9-177.865-89.2000110.3F53 P58F53-Y56 HydrophobicContact CD1-CE1 4.04Å; F53-Y56 AromaticContact CD1-CE2 3.76Å; F53-Y56 HydrophobicContact CD1-CE2 3.76Å; F53-Y56 AromaticContact CD1-CZ 3.41Å; F53-Y56 VanDerWaalsContact CD1-CZ 3.41Å; F53-Y56 VanDerWaalsContact CD1-OH 3.27Å; F53-Y56 WeakPolarHBondContact CD1-OH 3.42Å; F53-Y56 HydrophobicContact CE1-CE2 4.1Å; F53-Y56 AromaticContact CE1-CZ 3.73Å; F53-Y56 WeakPolarHBondContact CE1-OH 3.42Å; F53-Y56 HydrophobicContact CG-CE2 4.45Å; Y56-P58 HydrophobicContact CE2-CB 4.14Å
57K86.1Confident82.5Confident160 Ų160110.3 Ų110.370%0.69655%0.548SS*.  trans-103.7112.8171.9-63.2-176.3178.6-174.70108.2T67K57-T67 HydrophobicContact CB-CG2 4.4Å; K57-T67 HydrophobicContact CG-CG2 4.36Å
58P89Confident83.9Confident19 Ų19105 Ų10512%0.12353%0.529CS..  trans-63.5144176.729.2-31.6000109.5F53 Y56 D60 L63 T67F53-P58 HydrophobicContact CD2-CG 3.8Å; F53-P58 HydrophobicContact CE2-CG 3.95Å; F53-P58 HydrophobicContact CG-CG 4.26Å; Y56-P58 HydrophobicContact CE2-CB 4.14Å; P58-D60 VanDerWaalsContact C-N 3.31Å; P58-L63 HydrophobicContact CB-CB 3.72Å; P58-L63 HydrophobicContact CB-CD1 4.42Å; P58-L63 VanDerWaalsContact CG-C 3.44Å; P58-L63 HydrophobicContact CG-CB 3.62Å; P58-L63 WeakPolarHBondContact CG-O 3.31Å; P58-T67 HydrophobicContact CG-CG2 4.06Å
59L87.3Confident84.8Confident187 Ų187104.2 Ų104.298%0.97953%0.525SS*.SBendtrans-72.8-27.5-179.5-68.1170.4000112.4
60D88.3Confident85Confident86 Ų86106.7 Ų106.746%0.4653%0.526SS..SBendtrans-77.2137.1-177.4-166.99.9000111.8P58 E62 L63 A64P58-D60 VanDerWaalsContact C-N 3.31Å; D60-E62 VanDerWaalsContact C-N 3.33Å; D60-E62 PolarHBondContact O-N 3.32Å; D60-L63 HydrophobicContact CB-CB 4.43Å; D60-L63 HydrophobicContact CB-CD1 4.29Å; D60-L63 HydrophobicContact CB-CG 4.36Å; D60-L63 PolarHBondContact O-N 3.36Å; D60-A64 WeakPolarHBondContact O-CB 3.42Å; D60-A64 PolarHBondContact O-N 3.18Å
61S84.6Confident84.6Confident87 Ų87106.7 Ų106.761%0.60853%0.531SS*.Hα-helixtrans-67.4-30.7-171.366.70000113.5
62E85.4Confident84.2Confident136 Ų136107.7 Ų107.764%0.63654%0.543SS*.Hα-helixtrans-73.4-38.1176.9-62.2-165.5166.700111.4D60 F66D60-E62 VanDerWaalsContact C-N 3.33Å; D60-E62 PolarHBondContact O-N 3.32Å; E62-F66 WeakPolarHBondContact O-CD2 3.43Å; E62-F66 WeakPolarHBondContact O-CE2 3.2Å
63L83.2Confident83.5Confident63 Ų63105.7 Ų105.733%0.3355%0.552SS.*Hα-helixtrans-77.4-28.7179.9-62.6-178.2000112.4L51 F53 P58 D60 R65 F66L51-L63 HydrophobicContact CD2-CD2 4.06Å; F53-L63 WeakPolarHBondContact CD2-O 3.43Å; F53-L63 HydrophobicContact CE2-CB 3.88Å; F53-L63 HydrophobicContact CE2-CD2 4.29Å; F53-L63 WeakPolarHBondContact CE2-O 3.33Å; F53-L63 HydrophobicContact CZ-CB 4.25Å; F53-L63 HydrophobicContact CZ-CD1 4.47Å; F53-L63 HydrophobicContact CZ-CD2 4.23Å; P58-L63 HydrophobicContact CB-CB 3.72Å; P58-L63 HydrophobicContact CB-CD1 4.42Å; P58-L63 VanDerWaalsContact CG-C 3.44Å; P58-L63 HydrophobicContact CG-CB 3.62Å; P58-L63 WeakPolarHBondContact CG-O 3.31Å; D60-L63 HydrophobicContact CB-CB 4.43Å; D60-L63 HydrophobicContact CB-CD1 4.29Å; D60-L63 HydrophobicContact CB-CG 4.36Å; D60-L63 PolarHBondContact O-N 3.36Å; L63-R65 PolarHBondContact O-N 3.19Å; L63-F66 WeakPolarHBondContact O-CB 3.38Å; L63-F66 PolarHBondContact O-N 3.28Å
64A81.9Confident82.8Confident39 Ų39111.3 Ų111.332%0.32258%0.583SS.*Hα-helixtrans-59.3-27.8178.100000112.8D60 F66 T67D60-A64 WeakPolarHBondContact O-CB 3.42Å; D60-A64 PolarHBondContact O-N 3.18Å; A64-F66 PolarHBondContact O-N 2.95Å; A64-T67 PolarHBondContact O-N 3.41Å; A64-T67 VanDerWaalsContact O-N 3.14Å; A64-T67 PolarHBondContact O-OG1 2.99Å
65R83.8Confident82.1Confident211 Ų211109.9 Ų109.980%0.79659%0.588SS**THydrogen-bonded Turntrans-65.3-19.3177.2-59.7-179.1-174-1762.5113.5L63L63-R65 PolarHBondContact O-N 3.19Å
66F83.3Confident81.7Confident81 Ų81106.2 Ų106.236%0.35557%0.567SS.*THydrogen-bonded Turntrans-96.74.1-179.6-61-71.5000112.3V50 L51 K52 F53 E62 L63 A64V50-F66 HydrophobicContact CG1-CD1 4.22Å; V50-F66 HydrophobicContact CG1-CE1 4.25Å; L51-F66 HydrophobicContact CB-CD1 4.35Å; L51-F66 HydrophobicContact CB-CG 4.34Å; L51-F66 HydrophobicContact CD2-CD2 4.42Å; L51-F66 HydrophobicContact CG-CB 4.48Å; L51-F66 VanDerWaalsContact O-CB 3.28Å; L51-F66 WeakPolarHBondContact O-CB 3.4Å; L51-F66 WeakPolarHBondContact O-CD1 3.33Å; L51-F66 WeakPolarHBondContact O-CG 3.47Å; K52-F66 CarbonylContact C-O 3.6Å; K52-F66 VanDerWaalsContact CA-O 3.22Å; K52-F66 WeakPolarHBondContact CA-O 3.41Å; F53-F66 HydrophobicContact CD2-CB 3.82Å; F53-F66 HydrophobicContact CE2-CB 3.91Å; F53-F66 PolarHBondContact N-O 3.26Å; E62-F66 WeakPolarHBondContact O-CD2 3.43Å; E62-F66 WeakPolarHBondContact O-CE2 3.2Å; L63-F66 WeakPolarHBondContact O-CB 3.38Å; L63-F66 PolarHBondContact O-N 3.28Å; A64-F66 PolarHBondContact O-N 2.95Å
67T85.4Confident81.2Confident40 Ų40101.3 Ų101.325%0.24556%0.555CS.*BIsolated β-bridgetrans-71.6132.2173.954.70000111.2F53 K57 P58 A64F53-T67 HydrophobicContact CB-CG2 4.1Å; F53-T67 WeakPolarHBondContact O-CA 3.35Å; K57-T67 HydrophobicContact CB-CG2 4.4Å; K57-T67 HydrophobicContact CG-CG2 4.36Å; P58-T67 HydrophobicContact CG-CG2 4.06Å; A64-T67 PolarHBondContact O-N 3.41Å; A64-T67 VanDerWaalsContact O-N 3.14Å; A64-T67 PolarHBondContact O-OG1 2.99Å
68V83.3Confident80.8Confident50 Ų5098.3 Ų98.330%0.30355%0.547SS..PPolyproline II helixtrans-87124.7170.1179.50000107.5K52 F53 R54 L70K52-V68 HydrophobicContact CB-CG2 3.9Å; K52-V68 HydrophobicContact CD-CG2 4.12Å; K52-V68 HydrophobicContact CG-CG2 4.18Å; F53-V68 PolarHBondContact O-N 2.91Å; R54-V68 HydrophobicContact CG-CB 4.32Å; R54-V68 HydrophobicContact CG-CG2 4.27Å; V68-L70 PolarHBondContact O-N 3.36Å
69D80Confident80.2Confident137 Ų137104 Ų10473%0.73357%0.572SS**PPolyproline II helixtrans-60.6121.9172.5-68-37.2000109.3S71D69-S71 PolarHBondContact O-N 2.9Å
70L73.6Confident80Confident129 Ų129100.4 Ų100.468%0.67555%0.553SS**PPolyproline II helixtrans-67.4123.1172-73.778.7000107R54 V68R54-L70 WeakPolarHBondContact O-CD1 3.49Å; V68-L70 PolarHBondContact O-N 3.36Å
71S72.3Confident79.7Confident100 Ų100103.3 Ų103.370%0.69956%0.558SS**PPolyproline II helixtrans-51.4137170.8-177.50000109D69 A73D69-S71 PolarHBondContact O-N 2.9Å; S71-A73 PolarHBondContact O-N 3.26Å
72P75.4Confident79.6Confident109 Ų109104 Ų10471%0.70855%0.554SS**PPolyproline II helixtrans-54.5140.5172.124.7-33.2000108.9L74P72-L74 PolarHBondContact O-N 2.96Å
73A73.9Confident79.5Confident97 Ų97101.8 Ų101.880%0.80255%0.55SS**PPolyproline II helixtrans-55136.317300000108.6S71 D75S71-A73 PolarHBondContact O-N 3.26Å; A73-D75 PolarHBondContact O-N 3.44Å
74L72.9Confident79.5Confident141 Ų141103.7 Ų103.774%0.73856%0.56SS**PPolyproline II helixtrans-59.2139.8172.3-79.487.2000108.5P72 I76P72-L74 PolarHBondContact O-N 2.96Å; L74-I76 VanDerWaalsContact C-N 3.29Å; L74-I76 HydrophobicContact CB-CD1 4.31Å; L74-I76 HydrophobicContact CB-CG1 3.9Å; L74-I76 WeakPolarHBondContact O-CG1 3.49Å; L74-I76 PolarHBondContact O-N 2.87Å
75D75.6Confident79.5Confident140 Ų140107 Ų10775%0.74957%0.569SS**  trans-77.883.7175.3-166.26.4000109.1A73 A77A73-D75 PolarHBondContact O-N 3.44Å; D75-A77 PolarHBondContact O-N 3.42Å; D75-A77 VanDerWaalsContact OD1-CB 3.31Å; D75-A77 WeakPolarHBondContact OD1-CB 3.49Å
76I79.9Confident79.3Confident80 Ų80102.1 Ų102.141%0.4156%0.555SS.*  trans-87.611.5-178-48.4158.4000109.8L74 D78 E79 L80L74-I76 VanDerWaalsContact C-N 3.29Å; L74-I76 HydrophobicContact CB-CD1 4.31Å; L74-I76 HydrophobicContact CB-CG1 3.9Å; L74-I76 WeakPolarHBondContact O-CG1 3.49Å; L74-I76 PolarHBondContact O-N 2.87Å; I76-D78 VanDerWaalsContact C-N 3.28Å; I76-D78 PolarHBondContact O-N 3.09Å; I76-E79 HydrophobicContact CG2-CB 3.93Å; I76-E79 PolarHBondContact O-N 2.9Å; I76-L80 HydrophobicContact CB-CD1 4.36Å; I76-L80 HydrophobicContact CG2-CD1 4.27Å; I76-L80 HydrophobicContact CG2-CG 4.09Å; I76-L80 WeakPolarHBondContact O-CB 3.23Å; I76-L80 WeakPolarHBondContact O-CG 3.45Å; I76-L80 PolarHBondContact O-N 3.46Å
77A79.5Confident79Confident36 Ų36100.3 Ų100.330%0.29856%0.555SS.*Hα-helixtrans-59.6-39-175.400000112.4D75 R81D75-A77 PolarHBondContact O-N 3.42Å; D75-A77 VanDerWaalsContact OD1-CB 3.31Å; D75-A77 WeakPolarHBondContact OD1-CB 3.49Å; A77-R81 VanDerWaalsContact O-CG 3.24Å; A77-R81 WeakPolarHBondContact O-CG 3.49Å; A77-R81 PolarHBondContact O-N 3.38Å; A77-R81 VanDerWaalsContact O-N 3.16Å
78D78.2Confident78.5Confident97 Ų97103.5 Ų103.552%0.51957%0.565SS.*Hα-helixtrans-74.3-42.6-179-68.6-26.9000112.2I76 L80 R81 D82I76-D78 VanDerWaalsContact C-N 3.28Å; I76-D78 PolarHBondContact O-N 3.09Å; D78-L80 VanDerWaalsContact C-N 3.3Å; D78-L80 PolarHBondContact O-N 3.18Å; D78-R81 WeakPolarHBondContact O-CB 3.37Å; D78-R81 PolarHBondContact O-N 3.35Å; D78-R81 IonicContact OD1-CZ 3.7Å; D78-R81 IonicContact OD1-NH1 2.72Å; D78-R81 PolarHBondContact OD1-NH1 3.26Å; D78-D82 PolarHBondContact O-N 3.17Å
79E76.8Confident77.9Confident139 Ų139107.9 Ų107.965%0.6558%0.58SS**Hα-helixtrans-63.8-36.5175.9-61.7-179.2178.600112I76 V83I76-E79 HydrophobicContact CG2-CB 3.93Å; I76-E79 PolarHBondContact O-N 2.9Å; E79-V83 WeakPolarHBondContact O-CG2 3.28Å; E79-V83 PolarHBondContact O-N 3.36Å
80L82.2Confident77.1Confident110 Ų110109 Ų10958%0.57658%0.579SS**Hα-helixtrans-69.8-31.8176.4-77.1165.1000112.7I76 D78 L84I76-L80 HydrophobicContact CB-CD1 4.36Å; I76-L80 HydrophobicContact CG2-CD1 4.27Å; I76-L80 HydrophobicContact CG2-CG 4.09Å; I76-L80 WeakPolarHBondContact O-CB 3.23Å; I76-L80 WeakPolarHBondContact O-CG 3.45Å; I76-L80 PolarHBondContact O-N 3.46Å; D78-L80 VanDerWaalsContact C-N 3.3Å; D78-L80 PolarHBondContact O-N 3.18Å; L80-L84 WeakPolarHBondContact O-CB 3.42Å; L80-L84 PolarHBondContact O-N 3.33Å
81R82.5Confident76.5Confident148 Ų148110.3 Ų110.356%0.55858%0.581SS**Hα-helixtrans-63.6-48.7176.4-78.1165.3-178.5165.4-1.7110.7A77 D78 V83 L84 E85A77-R81 VanDerWaalsContact O-CG 3.24Å; A77-R81 WeakPolarHBondContact O-CG 3.49Å; A77-R81 PolarHBondContact O-N 3.38Å; A77-R81 VanDerWaalsContact O-N 3.16Å; D78-R81 WeakPolarHBondContact O-CB 3.37Å; D78-R81 PolarHBondContact O-N 3.35Å; D78-R81 IonicContact OD1-CZ 3.7Å; D78-R81 IonicContact OD1-NH1 2.72Å; D78-R81 PolarHBondContact OD1-NH1 3.26Å; R81-V83 VanDerWaalsContact C-N 3.35Å; R81-V83 PolarHBondContact O-N 3.42Å; R81-L84 PolarHBondContact O-N 2.82Å; R81-L84 VanDerWaalsContact O-N 3.13Å; R81-E85 WeakPolarHBondContact O-CG 3.26Å; R81-E85 PolarHBondContact O-N 3.34Å
82D83.2Confident75.7Confident100 Ų100113 Ų11354%0.53558%0.583SS.*Hα-helixtrans-59.9-46.4-179.9-69.5-11.9000111D78 L84 E85 E86D78-D82 PolarHBondContact O-N 3.17Å; D82-L84 VanDerWaalsContact C-N 3.32Å; D82-L84 PolarHBondContact O-N 3.15Å; D82-E85 PolarHBondContact O-N 3.42Å; D82-E86 WeakPolarHBondContact O-CG 3.46Å; D82-E86 PolarHBondContact O-N 3.29Å
83V83Confident74.9Confident91 Ų91112.3 Ų112.355%0.55258%0.576SS**Hα-helixtrans-62-39.3176.2174.60000111.7E79 R81 A87E79-V83 WeakPolarHBondContact O-CG2 3.28Å; E79-V83 PolarHBondContact O-N 3.36Å; R81-V83 VanDerWaalsContact C-N 3.35Å; R81-V83 PolarHBondContact O-N 3.42Å; V83-A87 WeakPolarHBondContact O-CB 3.41Å; V83-A87 PolarHBondContact O-N 2.9Å
84L82.7Confident74.3Confident102 Ų102116 Ų11653%0.53458%0.577SS.*Hα-helixtrans-71.2-36.1179.3-164.573.5000111.9L80 R81 D82 A87 K88L80-L84 WeakPolarHBondContact O-CB 3.42Å; L80-L84 PolarHBondContact O-N 3.33Å; R81-L84 PolarHBondContact O-N 2.82Å; R81-L84 VanDerWaalsContact O-N 3.13Å; D82-L84 VanDerWaalsContact C-N 3.32Å; D82-L84 PolarHBondContact O-N 3.15Å; L84-A87 PolarHBondContact O-N 3.03Å; L84-K88 WeakPolarHBondContact O-CB 3.33Å; L84-K88 VanDerWaalsContact O-CG 3.24Å; L84-K88 WeakPolarHBondContact O-CG 3.45Å; L84-K88 PolarHBondContact O-N 2.9Å
85E81.1Confident73.8Confident108 Ų108118.7 Ų118.751%0.50559%0.586SS.*Hα-helixtrans-67.4-41173.7-74-173.1-175.400111.9R81 D82 K88 K89R81-E85 WeakPolarHBondContact O-CG 3.26Å; R81-E85 PolarHBondContact O-N 3.34Å; D82-E85 PolarHBondContact O-N 3.42Å; E85-K88 PolarHBondContact O-N 3.31Å; E85-K89 WeakPolarHBondContact O-CG 3.48Å; E85-K89 PolarHBondContact O-N 3.21Å; E85-K89 VanDerWaalsContact O-N 3.08Å
86E80.9Confident73.2Confident110 Ų110116.8 Ų116.851%0.51458%0.575SS.*Hα-helixtrans-61.8-46.5172.1-72.4179.8-17600111.3D82 K88 K89 F90D82-E86 WeakPolarHBondContact O-CG 3.46Å; D82-E86 PolarHBondContact O-N 3.29Å; E86-K88 VanDerWaalsContact C-N 3.29Å; E86-K88 PolarHBondContact O-N 3.34Å; E86-K89 WeakPolarHBondContact O-CB 3.34Å; E86-K89 PolarHBondContact O-N 2.78Å; E86-K89 VanDerWaalsContact O-N 3.16Å; E86-F90 WeakPolarHBondContact O-CD2 3.46Å; E86-F90 PolarHBondContact O-N 2.93Å
87A76.7Confident72.6Confident42 Ų42118.5 Ų118.535%0.34759%0.585SS.*Hα-helixtrans-60-37.7176.200000112.5V83 L84 F90 Q91V83-A87 WeakPolarHBondContact O-CB 3.41Å; V83-A87 PolarHBondContact O-N 2.9Å; L84-A87 PolarHBondContact O-N 3.03Å; A87-F90 PolarHBondContact O-N 2.8Å; A87-Q91 WeakPolarHBondContact O-CG 3.46Å; A87-Q91 PolarHBondContact O-N 3.15Å; A87-Q91 VanDerWaalsContact O-N 3.1Å
88K74.6Confident71.7Confident108 Ų108123.4 Ų123.447%0.4761%0.605SS.*Hα-helixtrans-65.2-39.2175.1-77170.8-177.9177.40112.6L84 E85 E86 F90 Q91 E92L84-K88 WeakPolarHBondContact O-CB 3.33Å; L84-K88 VanDerWaalsContact O-CG 3.24Å; L84-K88 WeakPolarHBondContact O-CG 3.45Å; L84-K88 PolarHBondContact O-N 2.9Å; E85-K88 PolarHBondContact O-N 3.31Å; E86-K88 VanDerWaalsContact C-N 3.29Å; E86-K88 PolarHBondContact O-N 3.34Å; K88-F90 VanDerWaalsContact C-N 3.25Å; K88-F90 PolarHBondContact O-N 3.25Å; K88-Q91 CarbonylContact O-C 3.49Å; K88-Q91 WeakPolarHBondContact O-CA 3.49Å; K88-Q91 PolarHBondContact O-N 3.42Å; K88-E92 PolarHBondContact O-N 3.43Å
89K71Confident71.2Confident141 Ų141122.4 Ų122.461%0.61361%0.611SS**Hα-helixtrans-61.4-34.2174.9-69.4168.3-173165.20112.4E85 E86 Q91E85-K89 WeakPolarHBondContact O-CG 3.48Å; E85-K89 PolarHBondContact O-N 3.21Å; E85-K89 VanDerWaalsContact O-N 3.08Å; E86-K89 WeakPolarHBondContact O-CB 3.34Å; E86-K89 PolarHBondContact O-N 2.78Å; E86-K89 VanDerWaalsContact O-N 3.16Å; K89-Q91 VanDerWaalsContact C-N 3.34Å
90F64Low70.7Confident162 Ų162118.8 Ų118.871%0.71160%0.601SS**Hα-helixtrans-78.6-16.4173-65.3-70.1000113.5E86 A87 K88 V93E86-F90 WeakPolarHBondContact O-CD2 3.46Å; E86-F90 PolarHBondContact O-N 2.93Å; A87-F90 PolarHBondContact O-N 2.8Å; K88-F90 VanDerWaalsContact C-N 3.25Å; K88-F90 PolarHBondContact O-N 3.25Å; F90-V93 VanDerWaalsContact O-CG2 3.24Å; F90-V93 WeakPolarHBondContact O-CG2 3.45Å
91Q59.6Low69.9Low155 Ų155119.7 Ų119.772%0.72461%0.605SS**Hα-helixtrans-90.3-24.1175.3-76-178-20.600112.9A87 K88 K89 V93A87-Q91 WeakPolarHBondContact O-CG 3.46Å; A87-Q91 PolarHBondContact O-N 3.15Å; A87-Q91 VanDerWaalsContact O-N 3.1Å; K88-Q91 CarbonylContact O-C 3.49Å; K88-Q91 WeakPolarHBondContact O-CA 3.49Å; K88-Q91 PolarHBondContact O-N 3.42Å; K89-Q91 VanDerWaalsContact C-N 3.34Å; Q91-V93 PolarHBondContact O-N 3.3Å
92E56.4Low69.6Low158 Ų158115 Ų11574%0.73860%0.598SS**  trans-72.641.8164.7-72.9174.4-177.200111.5K88 E94K88-E92 PolarHBondContact O-N 3.43Å; E92-E94 PolarHBondContact O-N 3.48Å; E92-E94 VanDerWaalsContact O-N 3.08Å
93V57.7Low69.5Low93 Ų93116.7 Ų116.756%0.56461%0.614SS**  trans-64.5112.5157.3-174.40000104.8F90 Q91 E95 I96F90-V93 VanDerWaalsContact O-CG2 3.24Å; F90-V93 WeakPolarHBondContact O-CG2 3.45Å; Q91-V93 PolarHBondContact O-N 3.3Å; V93-E95 PolarHBondContact O-N 3.08Å; V93-E95 VanDerWaalsContact O-N 3.14Å; V93-I96 HydrophobicContact CG1-CD1 4.1Å; V93-I96 HydrophobicContact CG1-CG1 4.16Å
94E62.5Low69.5Low176 Ų176117.6 Ų117.682%0.82261%0.611SS**  trans-32.6122165.8-68.9176.4156.500108.5E92 I96E92-E94 PolarHBondContact O-N 3.48Å; E92-E94 VanDerWaalsContact O-N 3.08Å; E94-I96 VanDerWaalsContact C-N 3.32Å; E94-I96 WeakPolarHBondContact O-CG1 3.47Å; E94-I96 PolarHBondContact O-N 3.4Å
95E60.9Low69.6Low196 Ų196119.3 Ų119.392%0.91661%0.614SS**  trans-47101176.8-73.2177.3160.300108.3V93 D97V93-E95 PolarHBondContact O-N 3.08Å; V93-E95 VanDerWaalsContact O-N 3.14Å; E95-D97 PolarHBondContact O-N 3.46Å
96I62.8Low69.8Low100 Ų100120.5 Ų120.551%0.51363%0.628SS.*  trans-68110.9-179.2-58175.7000104.4V93 E94 L98 L101V93-I96 HydrophobicContact CG1-CD1 4.1Å; V93-I96 HydrophobicContact CG1-CG1 4.16Å; E94-I96 VanDerWaalsContact C-N 3.32Å; E94-I96 WeakPolarHBondContact O-CG1 3.47Å; E94-I96 PolarHBondContact O-N 3.4Å; I96-L98 PolarHBondContact O-N 3.24Å; I96-L101 HydrophobicContact CG2-CD1 4.11Å
97D67.6Low70.1Confident116 Ų116119.6 Ų119.662%0.6263%0.627SS**  trans-59.2103.3179.8-169.15.3000108.8E95 A99 S100E95-D97 PolarHBondContact O-N 3.46Å; D97-A99 PolarHBondContact O-N 3.02Å; D97-S100 WeakPolarHBondContact O-CB 3.27Å; D97-S100 PolarHBondContact O-N 3.02Å; D97-S100 PolarHBondContact O-OG 2.74Å
98L61.9Low70.7Confident140 Ų140122.5 Ų122.573%0.73363%0.629SS**Hα-helixtrans-60.2-21.9-171.3-62.6174.4000111.9I96 S100 L101 A102I96-L98 PolarHBondContact O-N 3.24Å; L98-S100 VanDerWaalsContact C-N 3.25Å; L98-S100 PolarHBondContact O-N 3.33Å; L98-L101 PolarHBondContact O-N 2.81Å; L98-A102 PolarHBondContact O-N 3.23Å
99A67Low71.4Confident76 Ų76120.7 Ų120.763%0.62862%0.624SS**Hα-helixtrans-64.4-28.7173.300000112.8D97D97-A99 PolarHBondContact O-N 3.02Å
100S66.4Low72.3Confident63 Ų63119.7 Ų119.744%0.44163%0.625SS.*Hα-helixtrans-78.5-24.4179.174.30000113.6D97 L98D97-S100 WeakPolarHBondContact O-CB 3.27Å; D97-S100 PolarHBondContact O-N 3.02Å; D97-S100 PolarHBondContact O-OG 2.74Å; L98-S100 VanDerWaalsContact C-N 3.25Å; L98-S100 PolarHBondContact O-N 3.33Å
101L65.4Low73.4Confident129 Ų129117.1 Ų117.168%0.67561%0.614SS**Hα-helixtrans-86.7-11.4179.6-127.378.7000113.1I96 L98I96-L101 HydrophobicContact CG2-CD1 4.11Å; L98-L101 PolarHBondContact O-N 2.81Å
102A76.1Confident74.8Confident49 Ų49115 Ų11541%0.40560%0.599SS.*SBendtrans-57.9145.4176.600000111L98 K104L98-A102 PolarHBondContact O-N 3.23Å; A102-K104 PolarHBondContact O-N 3.49Å
103P82Confident76.4Confident135 Ų135110.8 Ų110.888%0.87758%0.582SS**PPolyproline II helixtrans-55.8117.8175.5-2231.7000110.5
104K82.9Confident78Confident110 Ų110107.9 Ų107.948%0.47857%0.568SS.*PPolyproline II helixtrans-81.8159.6178.2-67.2-178.6177.2176.10111.1A102 W108A102-K104 PolarHBondContact O-N 3.49Å; K104-W108 HydrophobicContact CB-CB 3.76Å; K104-W108 HydrophobicContact CB-CD2 3.83Å; K104-W108 HydrophobicContact CB-CG 3.38Å; K104-W108 HydrophobicContact CD-CB 4.33Å; K104-W108 HydrophobicContact CD-CD2 3.45Å; K104-W108 VanDerWaalsContact CD-CD2 3.45Å; K104-W108 HydrophobicContact CD-CE3 3.42Å; K104-W108 VanDerWaalsContact CD-CE3 3.42Å; K104-W108 HydrophobicContact CD-CG 3.88Å; K104-W108 HydrophobicContact CD-CH2 4.35Å; K104-W108 HydrophobicContact CD-CZ2 4.4Å; K104-W108 HydrophobicContact CD-CZ3 3.89Å; K104-W108 HydrophobicContact CG-CD2 4.25Å; K104-W108 HydrophobicContact CG-CG 4.25Å
105K84.6Confident79.4Confident139 Ų139104 Ų10460%0.60455%0.549SS*.PPolyproline II helixtrans-51.8140.7172.6-69.3-175.5174.4179.10109.7D107 W108K105-D107 PolarHBondContact O-N 3.1Å; K105-W108 WeakPolarHBondContact O-CB 3.05Å; K105-W108 PolarHBondContact O-N 3.37Å
106V84.7Confident80.8Confident132 Ų132101 Ų10180%0.853%0.533SS*.THydrogen-bonded Turntrans-52.5-29.7-176.6-65.40000114.3
107D88.6Confident82.3Confident91 Ų91103.9 Ų103.949%0.48754%0.542SS..THydrogen-bonded Turntrans-86.31.2179.7-54.3-48.2000114.3K105 D109 L110 K111K105-D107 PolarHBondContact O-N 3.1Å; D107-D109 VanDerWaalsContact C-N 3.29Å; D107-D109 PolarHBondContact O-N 2.71Å; D107-L110 PolarHBondContact O-N 3.29Å; D107-K111 PolarHBondContact O-N 3.23Å
108W89Confident83.6Confident104 Ų104102.8 Ų102.839%0.39454%0.536SS..Hα-helixtrans-61-40-174.180.6-79.3000112.6K104 K105 R112K104-W108 HydrophobicContact CB-CB 3.76Å; K104-W108 HydrophobicContact CB-CD2 3.83Å; K104-W108 HydrophobicContact CB-CG 3.38Å; K104-W108 HydrophobicContact CD-CB 4.33Å; K104-W108 HydrophobicContact CD-CD2 3.45Å; K104-W108 VanDerWaalsContact CD-CD2 3.45Å; K104-W108 HydrophobicContact CD-CE3 3.42Å; K104-W108 VanDerWaalsContact CD-CE3 3.42Å; K104-W108 HydrophobicContact CD-CG 3.88Å; K104-W108 HydrophobicContact CD-CH2 4.35Å; K104-W108 HydrophobicContact CD-CZ2 4.4Å; K104-W108 HydrophobicContact CD-CZ3 3.89Å; K104-W108 HydrophobicContact CG-CD2 4.25Å; K104-W108 HydrophobicContact CG-CG 4.25Å; K105-W108 WeakPolarHBondContact O-CB 3.05Å; K105-W108 PolarHBondContact O-N 3.37Å; W108-R112 WeakPolarHBondContact O-CB 3.44Å; W108-R112 PolarHBondContact O-N 3Å
109D87.8Confident85Confident69 Ų6998.8 Ų98.837%0.36952%0.515SS..Hα-helixtrans-71.2-40.7-179.1-164.355.9000110D107 R112 D113D107-D109 VanDerWaalsContact C-N 3.29Å; D107-D109 PolarHBondContact O-N 2.71Å; D109-R112 PolarHBondContact O-N 3.35Å; D109-R112 IonicContact OD1-CZ 3.09Å; D109-R112 IonicContact OD1-NH1 3.17Å; D109-R112 PolarHBondContact OD1-NH1 3.06Å; D109-R112 VanDerWaalsContact OD1-NH1 3.17Å; D109-R112 IonicContact OD1-NH2 2.68Å; D109-R112 PolarHBondContact OD1-NH2 3.14Å; D109-D113 PolarHBondContact O-N 2.92Å
110L90.3Very high86.2Confident120 Ų120102 Ų10263%0.62852%0.515SS*.Hα-helixtrans-63.6-47.2174.9-174.962.2000111.6D107 R112 D113 A114D107-L110 PolarHBondContact O-N 3.29Å; L110-R112 VanDerWaalsContact C-N 3.34Å; L110-R112 PolarHBondContact O-N 3.45Å; L110-D113 PolarHBondContact O-N 3.25Å; L110-A114 WeakPolarHBondContact O-CB 3.45Å; L110-A114 PolarHBondContact O-N 3.09Å
111K88Confident87.6Confident109 Ų109103.7 Ų103.747%0.47452%0.518SS..Hα-helixtrans-56.9-48175.5-76.1-170.3176.7-169.90110.2D107 D113 Q115 D163D107-K111 PolarHBondContact O-N 3.23Å; K111-D113 PolarHBondContact O-N 2.88Å; K111-Q115 WeakPolarHBondContact O-CB 3.21Å; K111-Q115 PolarHBondContact O-N 2.78Å; K111-D163 IonicContact NZ-OD1 3.24Å; K111-D163 PolarHBondContact NZ-OD1 3.29Å; K111-D163 IonicContact NZ-OD2 3.47Å; K111-D163 PolarHBondContact NZ-OD2 3.49Å
112R88.5Confident89Confident110 Ų110102.5 Ų102.542%0.41551%0.509SS..Hα-helixtrans-59-48.5-179.7-173.7-165.572.4-149.3-8.6112.6W108 D109 L110W108-R112 WeakPolarHBondContact O-CB 3.44Å; W108-R112 PolarHBondContact O-N 3Å; D109-R112 PolarHBondContact O-N 3.35Å; D109-R112 IonicContact OD1-CZ 3.09Å; D109-R112 IonicContact OD1-NH1 3.17Å; D109-R112 PolarHBondContact OD1-NH1 3.06Å; D109-R112 VanDerWaalsContact OD1-NH1 3.17Å; D109-R112 IonicContact OD1-NH2 2.68Å; D109-R112 PolarHBondContact OD1-NH2 3.14Å; L110-R112 VanDerWaalsContact C-N 3.34Å; L110-R112 PolarHBondContact O-N 3.45Å
113D90Very high89.8Confident69 Ų69108 Ų10837%0.36952%0.52SS..Hα-helixtrans-80.4-30.5-173.8-71-7.1000112.2D109 L110 K111D109-D113 PolarHBondContact O-N 2.92Å; L110-D113 PolarHBondContact O-N 3.25Å; K111-D113 PolarHBondContact O-N 2.88Å
114A91.6Very high90.5Very high33 Ų33110.4 Ų110.427%0.27351%0.511SS..Hα-helixtrans-70.5-38.8171.400000112L110 K116 K117 L118L110-A114 WeakPolarHBondContact O-CB 3.45Å; L110-A114 PolarHBondContact O-N 3.09Å; A114-K116 VanDerWaalsContact C-N 3.3Å; A114-K116 PolarHBondContact O-N 2.89Å; A114-K117 WeakPolarHBondContact O-CA 3.2Å; A114-K117 WeakPolarHBondContact O-CB 3.35Å; A114-K117 PolarHBondContact O-N 3.21Å; A114-L118 WeakPolarHBondContact O-CG 3.46Å; A114-L118 PolarHBondContact O-N 3.44Å
115Q91Very high91.1Very high94 Ų94108.4 Ų108.444%0.43951%0.508SS..Hα-helixtrans-54.8-45.3-176.5-168.462.836.500111.8K111 K117 L118 D119K111-Q115 WeakPolarHBondContact O-CB 3.21Å; K111-Q115 PolarHBondContact O-N 2.78Å; Q115-K117 PolarHBondContact O-N 3.29Å; Q115-K117 VanDerWaalsContact O-N 3.14Å; Q115-L118 PolarHBondContact O-N 3.39Å; Q115-L118 VanDerWaalsContact O-N 3.09Å; Q115-D119 PolarHBondContact NE2-OD1 2.84Å; Q115-D119 PolarHBondContact O-N 2.99Å
116K91.1Very high91.5Very high132 Ų132106.4 Ų106.457%0.57450%0.501SS*.Hα-helixtrans-57.9-32.3177.7-65.6175.9-177.71690113.4A114 K120A114-K116 VanDerWaalsContact C-N 3.3Å; A114-K116 PolarHBondContact O-N 2.89Å; K116-K120 WeakPolarHBondContact O-CG 3.4Å
117K94.5Very high92.1Very high162 Ų162107.4 Ų107.470%0.70450%0.495SS*.Hα-helixtrans-82.2-40.6177.1-65.1178.3-177.3171.80110.7A114 Q115 K120 L121A114-K117 WeakPolarHBondContact O-CA 3.2Å; A114-K117 WeakPolarHBondContact O-CB 3.35Å; A114-K117 PolarHBondContact O-N 3.21Å; Q115-K117 PolarHBondContact O-N 3.29Å; Q115-K117 VanDerWaalsContact O-N 3.14Å; K117-K120 PolarHBondContact O-N 3.02Å; K117-L121 PolarHBondContact O-N 3.41Å
118L93.5Very high92.3Very high93 Ų93105.6 Ų105.649%0.48749%0.493SS..Hα-helixtrans-60.2-46175.3-69.5175.3000111.2A114 Q115 K120 L121 E122A114-L118 WeakPolarHBondContact O-CG 3.46Å; A114-L118 PolarHBondContact O-N 3.44Å; Q115-L118 PolarHBondContact O-N 3.39Å; Q115-L118 VanDerWaalsContact O-N 3.09Å; L118-K120 VanDerWaalsContact C-N 3.27Å; L118-K120 PolarHBondContact O-N 3.45Å; L118-L121 CarbonylContact O-C 3.54Å; L118-L121 PolarHBondContact O-N 3.36Å; L118-E122 WeakPolarHBondContact O-CB 3.41Å; L118-E122 PolarHBondContact O-N 3.2Å
119D91.7Very high92.4Very high56 Ų56104.8 Ų104.830%0.29950%0.495SS..Hα-helixtrans-57.1-41177.7-63.1-16.6000112.1Q115 R123Q115-D119 PolarHBondContact NE2-OD1 2.84Å; Q115-D119 PolarHBondContact O-N 2.99Å; D119-R123 VanDerWaalsContact O-CG 3.28Å; D119-R123 WeakPolarHBondContact O-CG 3.03Å; D119-R123 PolarHBondContact O-N 3.45Å
120K93.7Very high92.6Very high144 Ų144106.8 Ų106.863%0.62650%0.504SS*.Hα-helixtrans-68.4-40.1177.3-71.4176.8-177178.60111.5K116 K117 L118 R124K116-K120 WeakPolarHBondContact O-CG 3.4Å; K117-K120 PolarHBondContact O-N 3.02Å; L118-K120 VanDerWaalsContact C-N 3.27Å; L118-K120 PolarHBondContact O-N 3.45Å; K120-R124 WeakPolarHBondContact O-CG 3.32Å; K120-R124 PolarHBondContact O-N 2.85Å
121L95.4Very high92.8Very high97 Ų97105.4 Ų105.451%0.50850%0.495SS..Hα-helixtrans-69.9-45.5179.1-175.160.3000110.7K117 L118 R123 R124 T125K117-L121 PolarHBondContact O-N 3.41Å; L118-L121 CarbonylContact O-C 3.54Å; L118-L121 PolarHBondContact O-N 3.36Å; L121-R123 VanDerWaalsContact C-N 3.32Å; L121-R123 PolarHBondContact O-N 3.04Å; L121-R124 CarbonylContact O-C 3.55Å; L121-R124 WeakPolarHBondContact O-CA 3.24Å; L121-R124 WeakPolarHBondContact O-CB 3.4Å; L121-R124 PolarHBondContact O-N 3.31Å; L121-T125 PolarHBondContact O-N 3.4Å; L121-T125 PolarHBondContact O-OG1 3.17Å
122E93.3Very high92.9Very high104 Ų104104.5 Ų104.549%0.48650%0.495SS..Hα-helixtrans-54.7-46.4177.3-170.3-170.3176.600111.1L118 R124 T125 Q126L118-E122 WeakPolarHBondContact O-CB 3.41Å; L118-E122 PolarHBondContact O-N 3.2Å; E122-R124 VanDerWaalsContact C-N 3.27Å; E122-R124 PolarHBondContact O-N 3.19Å; E122-T125 CarbonylContact O-C 3.57Å; E122-T125 WeakPolarHBondContact O-CB 3.43Å; E122-T125 PolarHBondContact O-N 2.68Å; E122-T125 VanDerWaalsContact O-N 3.15Å; E122-Q126 HydrophobicContact CG-CG 4.49Å; E122-Q126 WeakPolarHBondContact O-CB 3.24Å; E122-Q126 WeakPolarHBondContact O-CG 3.46Å; E122-Q126 PolarHBondContact O-N 3.24Å; E122-Q126 PolarHBondContact OE1-NE2 3.47Å
123R94.4Very high92.8Very high166 Ų166101.7 Ų101.763%0.62649%0.487SS*.Hα-helixtrans-59.2-36.4174.5-71172.9-173.2-176.73.6113D119 L121 K127D119-R123 VanDerWaalsContact O-CG 3.28Å; D119-R123 WeakPolarHBondContact O-CG 3.03Å; D119-R123 PolarHBondContact O-N 3.45Å; L121-R123 VanDerWaalsContact C-N 3.32Å; L121-R123 PolarHBondContact O-N 3.04Å; R123-K127 WeakPolarHBondContact O-CG 3.44Å; R123-K127 PolarHBondContact O-N 3.24Å
124R96.1Very high92.8Very high185 Ų185105.5 Ų105.570%0.69850%0.497SS*.Hα-helixtrans-73.5-39.6176.3-68.5174.8177.8-176.5-1.5111.1K120 L121 E122 K127 A128K120-R124 WeakPolarHBondContact O-CG 3.32Å; K120-R124 PolarHBondContact O-N 2.85Å; L121-R124 CarbonylContact O-C 3.55Å; L121-R124 WeakPolarHBondContact O-CA 3.24Å; L121-R124 WeakPolarHBondContact O-CB 3.4Å; L121-R124 PolarHBondContact O-N 3.31Å; E122-R124 VanDerWaalsContact C-N 3.27Å; E122-R124 PolarHBondContact O-N 3.19Å; R124-K127 PolarHBondContact O-N 3.39Å; R124-A128 WeakPolarHBondContact O-CB 3.35Å; R124-A128 PolarHBondContact O-N 3.38Å
125T95.4Very high92.7Very high68 Ų68108.6 Ų108.642%0.41751%0.505SS..Hα-helixtrans-62.8-46.6175.7-56.10000110.7L121 E122 K127 A128 I129L121-T125 PolarHBondContact O-N 3.4Å; L121-T125 PolarHBondContact O-OG1 3.17Å; E122-T125 CarbonylContact O-C 3.57Å; E122-T125 WeakPolarHBondContact O-CB 3.43Å; E122-T125 PolarHBondContact O-N 2.68Å; E122-T125 VanDerWaalsContact O-N 3.15Å; T125-K127 VanDerWaalsContact C-N 3.35Å; T125-K127 PolarHBondContact O-N 2.87Å; T125-A128 PolarHBondContact O-N 2.69Å; T125-I129 HydrophobicContact CG2-CD1 3.88Å; T125-I129 HydrophobicContact CG2-CG1 4.43Å; T125-I129 WeakPolarHBondContact O-CB 3.22Å; T125-I129 VanDerWaalsContact O-CG1 3.26Å; T125-I129 WeakPolarHBondContact O-CG1 3.46Å; T125-I129 PolarHBondContact O-N 2.71Å
126Q93.7Very high92.5Very high96 Ų96108.7 Ų108.745%0.44950%0.502SS..Hα-helixtrans-57.5-45.8173.6-72.5173.4-2.900111.3E122 A128 I129 I130E122-Q126 HydrophobicContact CG-CG 4.49Å; E122-Q126 WeakPolarHBondContact O-CB 3.24Å; E122-Q126 WeakPolarHBondContact O-CG 3.46Å; E122-Q126 PolarHBondContact O-N 3.24Å; E122-Q126 PolarHBondContact OE1-NE2 3.47Å; Q126-A128 PolarHBondContact O-N 3.08Å; Q126-I129 PolarHBondContact O-N 3.33Å; Q126-I130 WeakPolarHBondContact O-CB 3.47Å; Q126-I130 WeakPolarHBondContact O-CD1 3.24Å; Q126-I130 WeakPolarHBondContact O-CG1 3.47Å; Q126-I130 PolarHBondContact O-N 2.82Å
127K95.6Very high92.2Very high154 Ų154106.9 Ų106.967%0.6750%0.498SS*.Hα-helixtrans-59.7-44.3174.6-76.4179.3178.6-170.90112.8R123 R124 T125 I130 E131R123-K127 WeakPolarHBondContact O-CG 3.44Å; R123-K127 PolarHBondContact O-N 3.24Å; R124-K127 PolarHBondContact O-N 3.39Å; T125-K127 VanDerWaalsContact C-N 3.35Å; T125-K127 PolarHBondContact O-N 2.87Å; K127-I130 PolarHBondContact O-N 2.98Å; K127-E131 PolarHBondContact O-N 2.86Å
128A94.8Very high91.9Very high53 Ų53106 Ų10644%0.43850%0.496SS..Hα-helixtrans-66-39.9178.200000112R124 T125 Q126 E131 L132R124-A128 WeakPolarHBondContact O-CB 3.35Å; R124-A128 PolarHBondContact O-N 3.38Å; T125-A128 PolarHBondContact O-N 2.69Å; Q126-A128 PolarHBondContact O-N 3.08Å; A128-E131 PolarHBondContact O-N 2.98Å; A128-L132 WeakPolarHBondContact O-CB 3.36Å; A128-L132 WeakPolarHBondContact O-CG 3.38Å; A128-L132 PolarHBondContact O-N 3.14Å
129I90.9Very high91.5Very high86 Ų86105.6 Ų105.644%0.44151%0.506SS..Hα-helixtrans-60.9-47.5173.9-71.3167.2000110.1T125 Q126 E131 L132 I133T125-I129 HydrophobicContact CG2-CD1 3.88Å; T125-I129 HydrophobicContact CG2-CG1 4.43Å; T125-I129 WeakPolarHBondContact O-CB 3.22Å; T125-I129 VanDerWaalsContact O-CG1 3.26Å; T125-I129 WeakPolarHBondContact O-CG1 3.46Å; T125-I129 PolarHBondContact O-N 2.71Å; Q126-I129 PolarHBondContact O-N 3.33Å; I129-E131 VanDerWaalsContact C-N 3.32Å; I129-E131 PolarHBondContact O-N 3.48Å; I129-L132 PolarHBondContact O-N 3.4Å; I129-I133 HydrophobicContact CG2-CD1 3.65Å; I129-I133 HydrophobicContact CG2-CG1 4.32Å; I129-I133 WeakPolarHBondContact O-CB 3.31Å; I129-I133 VanDerWaalsContact O-CG1 3.23Å; I129-I133 WeakPolarHBondContact O-CG1 3.46Å; I129-I133 PolarHBondContact O-N 3.31Å
130I92Very high90.8Very high111 Ų111105.5 Ų105.557%0.56952%0.518SS*.Hα-helixtrans-59-45177.8-69.3162.6000110.8Q126 K127 I133 R134Q126-I130 WeakPolarHBondContact O-CB 3.47Å; Q126-I130 WeakPolarHBondContact O-CD1 3.24Å; Q126-I130 WeakPolarHBondContact O-CG1 3.47Å; Q126-I130 PolarHBondContact O-N 2.82Å; K127-I130 PolarHBondContact O-N 2.98Å; I130-I133 PolarHBondContact O-N 3.07Å; I130-R134 WeakPolarHBondContact O-CB 3.28Å; I130-R134 PolarHBondContact O-N 3.05Å
131E93Very high89.7Confident92 Ų92101 Ų10143%0.4351%0.505SS..Hα-helixtrans-65.4-41.9178.8-173.657.1-154.900112.1K127 A128 I129 R134 Q135K127-E131 PolarHBondContact O-N 2.86Å; A128-E131 PolarHBondContact O-N 2.98Å; I129-E131 VanDerWaalsContact C-N 3.32Å; I129-E131 PolarHBondContact O-N 3.48Å; E131-R134 WeakPolarHBondContact O-CB 3.48Å; E131-R134 PolarHBondContact O-N 3.35Å; E131-Q135 WeakPolarHBondContact O-CG 3.39Å; E131-Q135 PolarHBondContact O-N 3.4Å; E131-Q135 PolarHBondContact OE1-NE2 3.39Å
132L90.6Very high88.4Confident90 Ų90101 Ų10147%0.47151%0.506SS..Hα-helixtrans-62.7-42174.4-79.4168000112.2A128 I129 R134 Q135 R136A128-L132 WeakPolarHBondContact O-CB 3.36Å; A128-L132 WeakPolarHBondContact O-CG 3.38Å; A128-L132 PolarHBondContact O-N 3.14Å; I129-L132 PolarHBondContact O-N 3.4Å; L132-R134 VanDerWaalsContact C-N 3.34Å; L132-Q135 PolarHBondContact O-N 2.94Å; L132-R136 WeakPolarHBondContact O-CB 3.35Å; L132-R136 VanDerWaalsContact O-CG 3.31Å; L132-R136 WeakPolarHBondContact O-CG 3.48Å; L132-R136 PolarHBondContact O-N 2.94Å
133I87.5Confident87.2Confident51 Ų51104.7 Ų104.726%0.26252%0.523SS..Hα-helixtrans-62.4-44.6175.2-68.3168.3000109.7I129 I130 Q135 R136 L137 L145I129-I133 HydrophobicContact CG2-CD1 3.65Å; I129-I133 HydrophobicContact CG2-CG1 4.32Å; I129-I133 WeakPolarHBondContact O-CB 3.31Å; I129-I133 VanDerWaalsContact O-CG1 3.23Å; I129-I133 WeakPolarHBondContact O-CG1 3.46Å; I129-I133 PolarHBondContact O-N 3.31Å; I130-I133 PolarHBondContact O-N 3.07Å; I133-Q135 PolarHBondContact O-N 3.29Å; I133-R136 PolarHBondContact O-N 3.13Å; I133-L137 HydrophobicContact CG2-CD1 3.88Å; I133-L137 HydrophobicContact CG2-CG 4.3Å; I133-L137 WeakPolarHBondContact O-CB 3.12Å; I133-L137 WeakPolarHBondContact O-CG 3.48Å; I133-L137 PolarHBondContact O-N 2.91Å; I133-L145 HydrophobicContact CB-CD2 4.45Å; I133-L145 HydrophobicContact CG1-CD2 4.08Å; I133-L145 HydrophobicContact CG2-CD1 4.33Å; I133-L145 HydrophobicContact CG2-CD2 4.3Å
134R88.7Confident85.9Confident149 Ų149102 Ų10256%0.56252%0.52SS*.Hα-helixtrans-58.1-46.5177.4-175.4-179.3-177.4144.92.5111.9I130 E131 L132 L137 Q138I130-R134 WeakPolarHBondContact O-CB 3.28Å; I130-R134 PolarHBondContact O-N 3.05Å; E131-R134 WeakPolarHBondContact O-CB 3.48Å; E131-R134 PolarHBondContact O-N 3.35Å; L132-R134 VanDerWaalsContact C-N 3.34Å; R134-L137 PolarHBondContact O-N 3.27Å; R134-Q138 WeakPolarHBondContact O-CG 3.27Å; R134-Q138 PolarHBondContact O-N 3.44Å; R134-Q138 VanDerWaalsContact O-N 3.09Å
135Q89.5Confident84.6Confident98 Ų9894 Ų9446%0.45849%0.491SS..Hα-helixtrans-64.8-41.2177.7-70.1172.911.100112.1E131 L132 I133 Q138 A139E131-Q135 WeakPolarHBondContact O-CG 3.39Å; E131-Q135 PolarHBondContact O-N 3.4Å; E131-Q135 PolarHBondContact OE1-NE2 3.39Å; L132-Q135 PolarHBondContact O-N 2.94Å; I133-Q135 PolarHBondContact O-N 3.29Å; Q135-Q138 PolarHBondContact O-N 3.16Å; Q135-A139 WeakPolarHBondContact O-CB 3.22Å; Q135-A139 PolarHBondContact O-N 2.85Å
136R86.8Confident83.5Confident95 Ų9596.6 Ų96.636%0.35850%0.502SS..Hα-helixtrans-65.8-38.9177.2-75.8179.2-178.6-168.31.4113L132 I133 A139 G140 S141 L145L132-R136 WeakPolarHBondContact O-CB 3.35Å; L132-R136 VanDerWaalsContact O-CG 3.31Å; L132-R136 WeakPolarHBondContact O-CG 3.48Å; L132-R136 PolarHBondContact O-N 2.94Å; I133-R136 PolarHBondContact O-N 3.13Å; R136-A139 PolarHBondContact O-N 3.08Å; R136-G140 PolarHBondContact O-N 3.35Å; R136-S141 PolarHBondContact O-N 3.31Å; R136-S141 VanDerWaalsContact O-N 3.13Å; R136-S141 PolarHBondContact O-OG 3.24Å; R136-S141 VanDerWaalsContact O-OG 3.09Å; R136-L145 HydrophobicContact CB-CD1 4.4Å; R136-L145 HydrophobicContact CB-CD2 4.07Å
137L85.6Confident82.6Confident94 Ų9495.9 Ų95.949%0.49251%0.505SS..Hα-helixtrans-64.3-40.2173.6-72.7171.1000111.4I133 R134 G140 N142 L145I133-L137 HydrophobicContact CG2-CD1 3.88Å; I133-L137 HydrophobicContact CG2-CG 4.3Å; I133-L137 WeakPolarHBondContact O-CB 3.12Å; I133-L137 WeakPolarHBondContact O-CG 3.48Å; I133-L137 PolarHBondContact O-N 2.91Å; R134-L137 PolarHBondContact O-N 3.27Å; L137-G140 PolarHBondContact O-N 3.34Å; L137-N142 WeakPolarHBondContact CD2-OD1 3.47Å; L137-L145 HydrophobicContact CD2-CD1 3.46Å; L137-L145 VanDerWaalsContact CD2-CD1 3.46Å; L137-L145 HydrophobicContact CG-CD1 3.68Å
138Q86.9Confident81.6Confident145 Ų14590.9 Ų90.968%0.67849%0.493SS*.Hα-helixtrans-67.6-34.3175.5-72.2176.6-7.300113R134 Q135 G140R134-Q138 WeakPolarHBondContact O-CG 3.27Å; R134-Q138 PolarHBondContact O-N 3.44Å; R134-Q138 VanDerWaalsContact O-N 3.09Å; Q135-Q138 PolarHBondContact O-N 3.16Å; Q138-G140 PolarHBondContact O-N 2.94Å
139A86.6Confident80.6Confident83 Ų8393.5 Ų93.569%0.68650%0.497SS*.THydrogen-bonded Turntrans-78-0.5176.900000113.9Q135 R136 S141Q135-A139 WeakPolarHBondContact O-CB 3.22Å; Q135-A139 PolarHBondContact O-N 2.85Å; R136-A139 PolarHBondContact O-N 3.08Å; A139-S141 VanDerWaalsContact C-N 3.32Å; A139-S141 PolarHBondContact O-N 3.48Å
140G77.3Confident80Confident54 Ų5494.8 Ų94.856%0.55751%0.505SS*.THydrogen-bonded Turntrans77.510177.600000115.1R136 L137 Q138 N142R136-G140 PolarHBondContact O-N 3.35Å; L137-G140 PolarHBondContact O-N 3.34Å; Q138-G140 PolarHBondContact O-N 2.94Å; G140-N142 PolarHBondContact O-N 3.1Å
141S69Low79.3Confident50 Ų5096.9 Ų96.935%0.3551%0.511SS..  trans-90.671.2-17865.80000111.4R136 A139R136-S141 PolarHBondContact O-N 3.31Å; R136-S141 VanDerWaalsContact O-N 3.13Å; R136-S141 PolarHBondContact O-OG 3.24Å; R136-S141 VanDerWaalsContact O-OG 3.09Å; A139-S141 VanDerWaalsContact C-N 3.32Å; A139-S141 PolarHBondContact O-N 3.48Å
142N69.9Low78.5Confident97 Ų9796.1 Ų96.152%0.51952%0.515SS..  trans-76.1-30.5-177.2-70-22.1000113.4L137 G140 L144 L145L137-N142 WeakPolarHBondContact CD2-OD1 3.47Å; G140-N142 PolarHBondContact O-N 3.1Å; N142-L144 VanDerWaalsContact C-N 3.3Å; N142-L144 PolarHBondContact O-N 2.91Å; N142-L145 PolarHBondContact O-N 2.96Å
143E67.9Low77.8Confident182 Ų18294.8 Ų94.885%0.8552%0.517SS*.THydrogen-bonded Turntrans-66.7-26.5-171.9-67.8-166.9161.700114.1
144L67.3Low77.3Confident110 Ų11098.1 Ų98.158%0.57653%0.53SS*.THydrogen-bonded Turntrans-86.3-10.5-176.7-15376000113.9N142N142-L144 VanDerWaalsContact C-N 3.3Å; N142-L144 PolarHBondContact O-N 2.91Å
145L69Low76.7Confident16 Ų1693 Ų938%0.08452%0.52CS..Hα-helixtrans-81.4-38-173.1-69.2175.4000113I133 R136 L137 N142 A148 M149I133-L145 HydrophobicContact CB-CD2 4.45Å; I133-L145 HydrophobicContact CG1-CD2 4.08Å; I133-L145 HydrophobicContact CG2-CD1 4.33Å; I133-L145 HydrophobicContact CG2-CD2 4.3Å; R136-L145 HydrophobicContact CB-CD1 4.4Å; R136-L145 HydrophobicContact CB-CD2 4.07Å; L137-L145 HydrophobicContact CD2-CD1 3.46Å; L137-L145 VanDerWaalsContact CD2-CD1 3.46Å; L137-L145 HydrophobicContact CG-CD1 3.68Å; N142-L145 PolarHBondContact O-N 2.96Å; L145-A148 PolarHBondContact O-N 3.34Å; L145-M149 WeakPolarHBondContact O-CG 3.45Å; L145-M149 PolarHBondContact O-N 2.89Å; L145-M149 VanDerWaalsContact O-N 3.15Å
146L70.6Confident76.1Confident123 Ų12391.2 Ų91.264%0.64452%0.522SS*.Hα-helixtrans-62.4-46.5-178.1-64.1167.3000113.1A148 M149 N150L146-A148 VanDerWaalsContact C-N 3.31Å; L146-A148 PolarHBondContact O-N 3.18Å; L146-M149 PolarHBondContact O-N 3.43Å; L146-N150 PolarHBondContact O-N 2.97Å; L146-N150 PolarHBondContact O-ND2 2.87Å
147P76.1Confident75.2Confident80 Ų8092.9 Ų92.952%0.51953%0.534SS..Hα-helixtrans-65.7-33.9178.1-19.833.3000112.9N150 F151P147-N150 PolarHBondContact O-N 3.16Å; P147-F151 PolarHBondContact O-N 2.72Å; P147-F151 VanDerWaalsContact O-N 3.08Å
148A74.2Confident74.5Confident50 Ų5094 Ų9441%0.41354%0.536SS..Hα-helixtrans-69.1-39.6-178.800000112.2L145 L146 F151 S152L145-A148 PolarHBondContact O-N 3.34Å; L146-A148 VanDerWaalsContact C-N 3.31Å; L146-A148 PolarHBondContact O-N 3.18Å; A148-F151 PolarHBondContact O-N 3.38Å; A148-S152 PolarHBondContact O-N 3Å
149M74.1Confident73.4Confident107 Ų10790.9 Ų90.953%0.52753%0.531SS..Hα-helixtrans-65-41.2175.4-67.8176.871.100111.3L145 L146 F151 S152 A153L145-M149 WeakPolarHBondContact O-CG 3.45Å; L145-M149 PolarHBondContact O-N 2.89Å; L145-M149 VanDerWaalsContact O-N 3.15Å; L146-M149 PolarHBondContact O-N 3.43Å; M149-F151 PolarHBondContact O-N 3.3Å; M149-S152 PolarHBondContact O-N 3.4Å; M149-S152 PolarHBondContact O-OG 2.85Å; M149-A153 PolarHBondContact O-N 3.14Å; M149-A153 VanDerWaalsContact O-N 3.1Å
150N78.2Confident72.1Confident113 Ų11394.6 Ų94.660%0.60453%0.533SS*.Hα-helixtrans-64.3-37.9177.6-68-14.4000112.7L146 P147 S152 A153 K154L146-N150 PolarHBondContact O-N 2.97Å; L146-N150 PolarHBondContact O-ND2 2.87Å; P147-N150 PolarHBondContact O-N 3.16Å; N150-S152 VanDerWaalsContact C-N 3.34Å; N150-S152 PolarHBondContact O-N 3.22Å; N150-A153 PolarHBondContact O-N 2.88Å; N150-K154 PolarHBondContact O-N 3.4Å
151F76.9Confident71.2Confident156 Ų15698.5 Ų98.568%0.68454%0.539SS*.Hα-helixtrans-63-41.2175-175.8-96.6000111.9P147 A148 M149 A153 K154 A155P147-F151 PolarHBondContact O-N 2.72Å; P147-F151 VanDerWaalsContact O-N 3.08Å; A148-F151 PolarHBondContact O-N 3.38Å; M149-F151 PolarHBondContact O-N 3.3Å; F151-A153 PolarHBondContact O-N 3.35Å; F151-K154 PolarHBondContact O-N 3.48Å; F151-A155 WeakPolarHBondContact O-CB 3.47Å; F151-A155 PolarHBondContact O-N 3.28Å
152S75.7Confident70.6Confident75 Ų75100.6 Ų100.652%0.52455%0.554SS.*Hα-helixtrans-65.9-37.1177.870.30000113A148 M149 N150 A156A148-S152 PolarHBondContact O-N 3Å; M149-S152 PolarHBondContact O-N 3.4Å; M149-S152 PolarHBondContact O-OG 2.85Å; N150-S152 VanDerWaalsContact C-N 3.34Å; N150-S152 PolarHBondContact O-N 3.22Å; S152-A156 PolarHBondContact O-N 2.86Å
153A76.2Confident70Confident62 Ų62100.9 Ų100.951%0.51256%0.555SS.*Hα-helixtrans-65.2-43.6175.300000111.4M149 N150 F151 A156 E157M149-A153 PolarHBondContact O-N 3.14Å; M149-A153 VanDerWaalsContact O-N 3.1Å; N150-A153 PolarHBondContact O-N 2.88Å; F151-A153 PolarHBondContact O-N 3.35Å; A153-A156 PolarHBondContact O-N 2.84Å; A153-E157 PolarHBondContact O-N 3.19Å
154K77.8Confident69.2Low121 Ų121100.1 Ų100.153%0.52655%0.551SS.*Hα-helixtrans-66.7-39.3179.4-167.1179.7179.3-165.20113.1N150 F151 A156 E157 E158N150-K154 PolarHBondContact O-N 3.4Å; F151-K154 PolarHBondContact O-N 3.48Å; K154-A156 VanDerWaalsContact C-N 3.31Å; K154-A156 PolarHBondContact O-N 3.17Å; K154-E157 WeakPolarHBondContact O-CB 3.48Å; K154-E157 PolarHBondContact O-N 2.95Å; K154-E158 VanDerWaalsContact CE-OE1 3.27Å; K154-E158 WeakPolarHBondContact CE-OE1 3.28Å; K154-E158 IonicContact NZ-OE1 3.75Å; K154-E158 PolarHBondContact O-N 3.3Å
155A76.3Confident68Low42 Ų42105.5 Ų105.535%0.34758%0.581SS.*Hα-helixtrans-65.8-33.8178.200000112.7F151 E157 S159F151-A155 WeakPolarHBondContact O-CB 3.47Å; F151-A155 PolarHBondContact O-N 3.28Å; A155-E157 VanDerWaalsContact C-N 3.34Å; A155-S159 PolarHBondContact O-N 3.42Å
156A75Confident68Low61 Ų61110 Ų11050%0.50461%0.605SS.*Hα-helixtrans-66.5-38.1173.900000111.6S152 A153 K154 S159S152-A156 PolarHBondContact O-N 2.86Å; A153-A156 PolarHBondContact O-N 2.84Å; K154-A156 VanDerWaalsContact C-N 3.31Å; K154-A156 PolarHBondContact O-N 3.17Å; A156-S159 PolarHBondContact O-OG 3.05Å
157E69.8Low67.9Low130 Ų130109.3 Ų109.361%0.60760%0.603SS**Hα-helixtrans-67.5-45.3177.3-161.4168.9-159.300111.9A153 K154 A155 S159 H160 M161A153-E157 PolarHBondContact O-N 3.19Å; K154-E157 WeakPolarHBondContact O-CB 3.48Å; K154-E157 PolarHBondContact O-N 2.95Å; A155-E157 VanDerWaalsContact C-N 3.34Å; E157-S159 VanDerWaalsContact C-N 3.34Å; E157-S159 PolarHBondContact O-N 3.38Å; E157-H160 PolarHBondContact O-N 3.32Å; E157-M161 HydrophobicContact CG-SD 4.16Å; E157-M161 WeakPolarHBondContact O-CG 3.1Å; E157-M161 PolarHBondContact O-N 2.96Å
158E68.9Low67.4Low116 Ų116110.9 Ų110.954%0.54261%0.608SS.*Hα-helixtrans-62.7-37.7177.9-77175.5-173.700112.7K154 H160 M161K154-E158 VanDerWaalsContact CE-OE1 3.27Å; K154-E158 WeakPolarHBondContact CE-OE1 3.28Å; K154-E158 IonicContact NZ-OE1 3.75Å; K154-E158 PolarHBondContact O-N 3.3Å; E158-H160 PolarHBondContact O-N 3.43Å; E158-M161 PolarHBondContact O-N 3.25Å
159S64.5Low67Low81 Ų81114.5 Ų114.557%0.56662%0.62SS**Hα-helixtrans-67.6-22.4178.771.50000114.1A155 A156 E157A155-S159 PolarHBondContact O-N 3.42Å; A156-S159 PolarHBondContact O-OG 3.05Å; E157-S159 VanDerWaalsContact C-N 3.34Å; E157-S159 PolarHBondContact O-N 3.38Å
160H60.4Low66.6Low161 Ų161114.9 Ų114.975%0.74563%0.625SS**Hα-helixtrans-92-15.8-178-145.1-41.9000112.8E157 E158E157-H160 PolarHBondContact O-N 3.32Å; E158-H160 PolarHBondContact O-N 3.43Å
161M56.8Low65.8Low136 Ų136115.1 Ų115.167%0.6763%0.627SS**Hα-helixtrans-95.7-11.6-178.5-68.3170.266.700113.7E157 E158E157-M161 HydrophobicContact CG-SD 4.16Å; E157-M161 WeakPolarHBondContact O-CG 3.1Å; E157-M161 PolarHBondContact O-N 2.96Å; E158-M161 PolarHBondContact O-N 3.25Å
162S57.1Low65Low94 Ų94112.1 Ų112.166%0.65762%0.623SS**THydrogen-bonded Turntrans-94.74.8-174.366.90000115.4
163D57.8Low64.2Low102 Ų102115 Ų11555%0.54563%0.63SS.*THydrogen-bonded Turntrans-105.213.9-177.9-117-0.6000112.5K111K111-D163 IonicContact NZ-OD1 3.24Å; K111-D163 PolarHBondContact NZ-OD1 3.29Å; K111-D163 IonicContact NZ-OD2 3.47Å; K111-D163 PolarHBondContact NZ-OD2 3.49Å
164E49.6Very low63.2Low166 Ų166119.4 Ų119.478%0.77664%0.64SS**  trans-112.768.3175.5-77.6174.8146.900111.8
165D44Very low61.8Low223 Ų223119.3 Ų119.3100%1.19365%0.65SS**  trans-161.40156.8-86.7-36.7000108.5

Retrieved 165 of 165 residues in 78.1 ms (Link to these results)