A0A077ZN57_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZN57, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 172 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
1M42.5Very low51.7Low249 Ų249163 Ų163100%1.22781%0.805SS**  0114.20-83.3-82.8-142.500108.2
2G44.7Very low51.8Low65 Ų65159.6 Ų159.667%0.6781%0.809SS**  trans71.696.1162.500000117.4
3T55.8Low52.1Low138 Ų138156 Ų15685%0.84781%0.808SS**  56.4121.484.766.20000112.5
4S55.8Low52.7Low102 Ų102151.9 Ų151.971%0.71381%0.808SS**  -176.4132.156.235.90000106.7
5E49.4Very low52.9Low164 Ų164154.4 Ų154.477%0.76681%0.81SS**  5612178.7-57.3-73.8155.600108.8
6H48.7Very low53.7Low112 Ų112156.6 Ų156.652%0.51981%0.814SS.*  cis170.695.130-179.7-60.6000105.7F8H6-F8 AromaticContact CE1-CD1 3.81Å; H6-F8 AromaticContact CE1-CD2 2.96Å; H6-F8 WeakPolarHBondContact CE1-CD2 3.42Å; H6-F8 AromaticContact CE1-CE1 3.81Å; H6-F8 AromaticContact CE1-CE2 2.93Å; H6-F8 WeakPolarHBondContact CE1-CE2 3.43Å; H6-F8 AromaticContact CE1-CG 3.39Å; H6-F8 WeakPolarHBondContact CE1-CG 3.36Å; H6-F8 AromaticContact CE1-CZ 3.37Å; H6-F8 WeakPolarHBondContact CE1-CZ 3.28Å; H6-F8 AromaticContact ND1-CD2 2.98Å; H6-F8 WeakPolarHBondContact ND1-CD2 3.02Å; H6-F8 AromaticContact ND1-CE2 3.35Å; H6-F8 WeakPolarHBondContact ND1-CE2 3.5Å; H6-F8 AromaticContact ND1-CG 3.57Å; H6-F8 AromaticContact NE2-CE2 3.58Å; H6-F8 AromaticContact NE2-CZ 3.87Å; H6-F8 PolarHBondContact O-N 3.23Å; H6-F8 VanDerWaalsContact O-N 3.08Å
7E58.1Low54.4Low192 Ų192149.7 Ų149.790%0.89779%0.79SS**  trans-83.291.9174.2-161.4171170.500109I9E7-I9 PolarHBondContact O-N 3.3Å
8F52.2Low54.9Low153 Ų153148.6 Ų148.667%0.67179%0.793SS**  trans-55.198.1172.4-104.2-78.8000109.4H6 R10H6-F8 AromaticContact CE1-CD1 3.81Å; H6-F8 AromaticContact CE1-CD2 2.96Å; H6-F8 WeakPolarHBondContact CE1-CD2 3.42Å; H6-F8 AromaticContact CE1-CE1 3.81Å; H6-F8 AromaticContact CE1-CE2 2.93Å; H6-F8 WeakPolarHBondContact CE1-CE2 3.43Å; H6-F8 AromaticContact CE1-CG 3.39Å; H6-F8 WeakPolarHBondContact CE1-CG 3.36Å; H6-F8 AromaticContact CE1-CZ 3.37Å; H6-F8 WeakPolarHBondContact CE1-CZ 3.28Å; H6-F8 AromaticContact ND1-CD2 2.98Å; H6-F8 WeakPolarHBondContact ND1-CD2 3.02Å; H6-F8 AromaticContact ND1-CE2 3.35Å; H6-F8 WeakPolarHBondContact ND1-CE2 3.5Å; H6-F8 AromaticContact ND1-CG 3.57Å; H6-F8 AromaticContact NE2-CE2 3.58Å; H6-F8 AromaticContact NE2-CZ 3.87Å; H6-F8 PolarHBondContact O-N 3.23Å; H6-F8 VanDerWaalsContact O-N 3.08Å; F8-R10 VanDerWaalsContact C-N 3.28Å; F8-R10 PolarHBondContact O-N 2.95Å
9I56.7Low55.5Low158 Ų158146.8 Ų146.881%0.8179%0.794SS**  trans-60.697.5162.7-62.3173.6000106.5E7 R11E7-I9 PolarHBondContact O-N 3.3Å; I9-R11 PolarHBondContact O-N 3.07Å
10R54.7Low56Low227 Ų227151.5 Ų151.586%0.85780%0.799SS**  trans-50.3108.5175.3-82.317367.8-1741.8108.5F8 S12F8-R10 VanDerWaalsContact C-N 3.28Å; F8-R10 PolarHBondContact O-N 2.95Å; R10-S12 PolarHBondContact O-N 3.39Å
11R50Low56.5Low233 Ų233148.4 Ų148.488%0.87980%0.796SS**  trans-55.199.5169.7-71.9179.2170.2128.4-2.3109.5I9 S13I9-R11 PolarHBondContact O-N 3.07Å; R11-S13 PolarHBondContact O-N 3.22Å
12S53.6Low57.5Low122 Ų122146.5 Ų146.585%0.85378%0.781SS**  trans-75.472.8165.439.20000109.3R10R10-S12 PolarHBondContact O-N 3.39Å
13S55.2Low58.7Low113 Ų113155 Ų15579%0.7979%0.793SS**  trans-103.581.9171.7-175.90000109.2R11R11-S13 PolarHBondContact O-N 3.22Å
14A59.9Low59.7Low99 Ų99154.3 Ų154.382%0.81879%0.788SS**  trans-12549.2170.600000109.4H16A14-H16 PolarHBondContact O-N 2.72Å
15F56.1Low60.5Low189 Ų189155.2 Ų155.283%0.82979%0.792SS**  trans-89.290.9167.6-156.3-96.5000108.2G17F15-G17 PolarHBondContact O-N 2.94Å; F15-G17 VanDerWaalsContact O-N 3.13Å
16H65.7Low61.8Low189 Ų189159.1 Ų159.188%0.87580%0.8SS**  trans-70.3102164.5-102.827000107.6A14A14-H16 PolarHBondContact O-N 2.72Å
17G65.8Low63.3Low40 Ų40162.6 Ų162.641%0.41282%0.816SS.*PPolyproline II helixtrans-57.2165.4172.900000111.8F15 S19F15-G17 PolarHBondContact O-N 2.94Å; F15-G17 VanDerWaalsContact O-N 3.13Å; G17-S19 PolarHBondContact O-N 3.08Å; G17-S19 VanDerWaalsContact O-N 3.13Å
18P62.6Low64.2Low130 Ų130159.5 Ų159.584%0.84481%0.81SS**PPolyproline II helixtrans-56.5123.2-172.122.6-31.6000110.3R20P18-R20 PolarHBondContact O-N 3.3Å
19S68Low65.3Low115 Ų115162 Ų16280%0.80482%0.815SS**PPolyproline II helixtrans-48.4128.3178.3-59.10000109.7G17 A21G17-S19 PolarHBondContact O-N 3.08Å; G17-S19 VanDerWaalsContact O-N 3.13Å; S19-A21 PolarHBondContact O-N 2.74Å
20R65.7Low66.1Low240 Ų240165.7 Ų165.791%0.90682%0.819SS**  trans-47.7109.1178.5-81.8-179.5169.2-167.9-1.8109.2P18 F22P18-R20 PolarHBondContact O-N 3.3Å; R20-F22 PolarHBondContact O-N 3.16Å
21A66.2Low66.5Low87 Ų87163.1 Ų163.172%0.71981%0.814SS**  trans-59.4123.9174.600000108.8S19 R23S19-A21 PolarHBondContact O-N 2.74Å; A21-R23 PolarHBondContact O-N 2.81Å; A21-R23 VanDerWaalsContact O-N 3.08Å
22F63.3Low67.2Low209 Ų209156.4 Ų156.492%0.91781%0.809SS**  trans-56.4114.5171.7-69-83.7000108.3R20 T24R20-F22 PolarHBondContact O-N 3.16Å; F22-T24 PolarHBondContact O-N 2.93Å
23R70.1Confident67.8Low243 Ų243155 Ų15592%0.91781%0.805SS**PPolyproline II helixtrans-71.3125.1176.8-67.1-166179.9-152.41.8108.4A21A21-R23 PolarHBondContact O-N 2.81Å; A21-R23 VanDerWaalsContact O-N 3.08Å
24T75.9Confident68.2Low124 Ų124156.2 Ų156.276%0.76181%0.807SS**PPolyproline II helixtrans-59.8138.2168.636.60000110.3F22 R26F22-T24 PolarHBondContact O-N 2.93Å; T24-R26 PolarHBondContact O-N 3.16Å
25P73.5Confident68.2Low121 Ų121156.8 Ų156.879%0.78681%0.805SS**PPolyproline II helixtrans-56.2131.6174.3-19.429.9000110E27P25-E27 PolarHBondContact O-N 3.25Å
26R76.9Confident68.4Low246 Ų246153.1 Ų153.193%0.92880%0.803SS**  trans-70.9114.2171.2-83.8-178.4166178.6-4.6108.2T24T24-R26 PolarHBondContact O-N 3.16Å
27E78.2Confident68.1Low185 Ų185150.8 Ų150.886%0.86480%0.796SS**  trans-59.3137.9169.8-70.8-179.6169.100110.7P25 R29P25-E27 PolarHBondContact O-N 3.25Å; E27-R29 PolarHBondContact O-N 3.03Å
28T77.4Confident67.6Low126 Ų126151.3 Ų151.377%0.77379%0.794SS**  trans-67.299174.7-47.80000109.1R30T28-R30 PolarHBondContact O-N 2.7Å
29R75.6Confident67.8Low206 Ų206150.8 Ų150.878%0.77779%0.791SS**  trans-61.7103.3166.8-87.2-172.4-173.7-167.42.3108.7E27 F31E27-R29 PolarHBondContact O-N 3.03Å; R29-F31 HydrophobicContact CB-CE2 4.23Å; R29-F31 PolarHBondContact O-N 3.01Å
30R72.8Confident68Low236 Ų236151.6 Ų151.689%0.89179%0.786SS**  trans-73.5105.3161.9-66.1-165.7176.8-141.40.6107.3T28 A32T28-R30 PolarHBondContact O-N 2.7Å; R30-A32 PolarHBondContact O-N 3.42Å
31F64Low68Low172 Ų172146.1 Ų146.175%0.75477%0.774SS**PPolyproline II helixtrans-69.6121.2164.3-71.6-85.5000107.3R29 A33R29-F31 HydrophobicContact CB-CE2 4.23Å; R29-F31 PolarHBondContact O-N 3.01Å; F31-A33 PolarHBondContact O-N 3.12Å
32A65.8Low68.4Low93 Ų93147.3 Ų147.377%0.76978%0.775SS**PPolyproline II helixtrans-58.2133.1167.800000107.9R30 T34R30-A32 PolarHBondContact O-N 3.42Å; A32-T34 PolarHBondContact O-N 3.34Å
33A64.4Low68.4Low92 Ų92142.3 Ų142.376%0.7676%0.761SS**PPolyproline II helixtrans-50.5128.3177.900000109.3F31 S35F31-A33 PolarHBondContact O-N 3.12Å; A33-S35 PolarHBondContact O-N 2.79Å
34T65.4Low68.4Low138 Ų138136.2 Ų136.285%0.84775%0.753SS**  trans-60.1103169.842.40000107.4A32 S36A32-T34 PolarHBondContact O-N 3.34Å; T34-S36 PolarHBondContact O-N 3.35Å
35S59.8Low67.9Low111 Ų111134.7 Ų134.778%0.77675%0.753SS**  trans-53.3113.4165.4-36.60000106.4A33 L37A33-S35 PolarHBondContact O-N 2.79Å; S35-L37 PolarHBondContact O-N 3.26Å; S35-L37 VanDerWaalsContact O-N 3.13Å
36S59.5Low67.2Low112 Ų112135.2 Ų135.278%0.78375%0.754SS**  trans-56.8119.5176.855.50000108.3T34 S38T34-S36 PolarHBondContact O-N 3.35Å; S36-S38 PolarHBondContact O-N 3.48Å
37L59.7Low66.4Low140 Ų140127.4 Ų127.473%0.73374%0.743SS**  trans-67.4105.4170.5-64.3173000106.7S35 V43S35-L37 PolarHBondContact O-N 3.26Å; S35-L37 VanDerWaalsContact O-N 3.13Å; L37-V43 HydrophobicContact CD2-CG2 4.31Å
38S55.3Low65.3Low51 Ų51124.2 Ų124.236%0.35774%0.739SS.*  trans-62.3136.2168.3-178.90000108.4S36 D40 N41S36-S38 PolarHBondContact O-N 3.48Å; S38-D40 PolarHBondContact O-N 3.31Å; S38-D40 PolarHBondContact OG-N 3.34Å; S38-D40 PolarHBondContact OG-OD2 3.27Å; S38-N41 PolarHBondContact O-N 3.14Å; S38-N41 VanDerWaalsContact O-N 3.16Å
39P66.5Low64.6Low120 Ų120126 Ų12678%0.77974%0.743SS**THydrogen-bonded Turntrans-56.6-21176.120.8-30.3000113.1N41P39-N41 VanDerWaalsContact C-N 3.25Å; P39-N41 PolarHBondContact O-N 2.93Å
40D72.1Confident63.8Low131 Ų131124.6 Ų124.670%0.70175%0.748SS**THydrogen-bonded Turntrans-76.9-7.2-177.4-54.5-35.6000114S38S38-D40 PolarHBondContact O-N 3.31Å; S38-D40 PolarHBondContact OG-N 3.34Å; S38-D40 PolarHBondContact OG-OD2 3.27Å
41N66.5Low63.5Low125 Ų125122.2 Ų122.267%0.66874%0.744SS**SBendtrans-129.779.4178.2-70.3-56.6000110.7S38 P39 V43S38-N41 PolarHBondContact O-N 3.14Å; S38-N41 VanDerWaalsContact O-N 3.16Å; P39-N41 VanDerWaalsContact C-N 3.25Å; P39-N41 PolarHBondContact O-N 2.93Å; N41-V43 PolarHBondContact O-N 3Å
42P73.2Confident63.8Low112 Ų112123.4 Ų123.473%0.72775%0.748SS**  trans-61131.2173.126-32.6000109.5
43V64.2Low63.9Low105 Ų105129.5 Ų129.564%0.63675%0.752SS**  trans-52.5126.5171.6176.90000107.6L37 N41 A45L37-V43 HydrophobicContact CD2-CG2 4.31Å; N41-V43 PolarHBondContact O-N 3Å; V43-A45 PolarHBondContact O-N 3.34Å
44P70.7Confident64Low114 Ų114134.6 Ų134.674%0.7476%0.757SS**  trans-53.7112.3177.5-2331000108.2T46P44-T46 PolarHBondContact O-N 3.46Å
45A65.1Low64Low93 Ų93135.5 Ų135.577%0.76976%0.755SS**  trans-50.9119.617400000106.3V43 A47V43-A45 PolarHBondContact O-N 3.34Å; A45-A47 PolarHBondContact O-N 3.34Å
46T58.2Low64.2Low132 Ų132139.3 Ų139.381%0.8176%0.758SS**  trans-40.3108.9-171.938.20000110.1P44 C48P44-T46 PolarHBondContact O-N 3.46Å; T46-C48 PolarHBondContact O-N 3.47Å
47A60Low64.2Low82 Ų82140.2 Ų140.268%0.67876%0.761SS**  trans-49.9119.1170.500000106.3A45 L49A45-A47 PolarHBondContact O-N 3.34Å; A47-L49 VanDerWaalsContact C-N 3.28Å; A47-L49 PolarHBondContact O-N 3.39Å
48C55.6Low64Low118 Ų118141.8 Ų141.880%0.79777%0.765SS**  trans-56.497.8176.8-76.70000107.7T46 M50T46-C48 PolarHBondContact O-N 3.47Å; C48-M50 HydrophobicContact CB-CG 4.45Å; C48-M50 PolarHBondContact O-N 2.82Å
49L63.3Low64Low163 Ų163146.7 Ų146.785%0.85379%0.787SS**  trans-69.682.1170.8-70.6176.8000106.8A47 K51A47-L49 VanDerWaalsContact C-N 3.28Å; A47-L49 PolarHBondContact O-N 3.39Å; L49-K51 PolarHBondContact O-N 2.76Å
50M58Low63.4Low177 Ų177145.9 Ų145.987%0.87278%0.781SS**  trans-7155.6163.4-61.6-157.884.300109C48 K52C48-M50 HydrophobicContact CB-CG 4.45Å; C48-M50 PolarHBondContact O-N 2.82Å; M50-K52 VanDerWaalsContact C-N 3.33Å; M50-K52 PolarHBondContact O-N 3.01Å
51K67Low62.7Low185 Ų185144.9 Ų144.980%0.80478%0.78SS**  trans-79.391.1171.9-164.1164.4-175.2171.90107.4L49 R53L49-K51 PolarHBondContact O-N 2.76Å; K51-R53 PolarHBondContact O-N 3.43Å
52K69.4Low62.1Low197 Ų197142.5 Ų142.586%0.85778%0.778SS**  trans-54103.2174.1-158177.1-171.7177.30108.6M50 K54M50-K52 VanDerWaalsContact C-N 3.33Å; M50-K52 PolarHBondContact O-N 3.01Å; K52-K54 PolarHBondContact O-N 3.49Å; K52-K54 VanDerWaalsContact O-N 3.14Å
53R68.7Low61.3Low222 Ų222140.8 Ų140.884%0.83877%0.773SS**  trans-65.5112169.7-72.7174.665.5130.5-1.6107K51 L55K51-R53 PolarHBondContact O-N 3.43Å; R53-L55 PolarHBondContact O-N 3Å
54K66.5Low60.8Low199 Ų199145.3 Ų145.387%0.86578%0.779SS**  trans-63.9101.3161.8-75.7-175.6177.51800106.5K52 F56K52-K54 PolarHBondContact O-N 3.49Å; K52-K54 VanDerWaalsContact O-N 3.14Å; K54-F56 PolarHBondContact O-N 3.35Å
55L65.5Low60.2Low156 Ų156149.5 Ų149.582%0.81778%0.78SS**  trans-64.3121168-87.6149.4000107.2R53R53-L55 PolarHBondContact O-N 3Å
56F64.1Low59.8Low192 Ų192150.5 Ų150.584%0.84278%0.776SS**  trans-47.3130.1175.6-64.5-89.9000110.7K54 E58K54-F56 PolarHBondContact O-N 3.35Å; F56-E58 PolarHBondContact O-N 2.73Å
57P59.1Low59.7Low130 Ų130154.9 Ų154.984%0.84478%0.778SS**SBendtrans-79-0.9-179.330-32000114
58E54.2Low59.6Low173 Ų173160.7 Ų160.781%0.80878%0.782SS**  trans-115.590-175.1-65.3-142149.500112.5F56F56-E58 PolarHBondContact O-N 2.73Å
59L55.9Low59.7Low155 Ų155165 Ų16581%0.81278%0.781SS**  trans-70.8128.1157.4-81.7159.6000108.1T61L59-T61 PolarHBondContact O-N 2.89Å; L59-T61 VanDerWaalsContact O-N 3.12Å
60P53.7Low59.3Low102 Ų102165.5 Ų165.566%0.66277%0.773SS**  trans-58.9123.4175.221.5-29.5000109.4A62 A63P60-A62 PolarHBondContact O-N 2.88Å; P60-A63 PolarHBondContact O-N 2.91Å
61T57.8Low59.2Low111 Ų111167.3 Ų167.368%0.68177%0.77SS**THydrogen-bonded Turntrans-53.3-8.6-178.3-65.70000114.3L59 A63 R64L59-T61 PolarHBondContact O-N 2.89Å; L59-T61 VanDerWaalsContact O-N 3.12Å; T61-A63 VanDerWaalsContact C-N 3.26Å; T61-A63 PolarHBondContact O-N 3Å; T61-R64 PolarHBondContact O-N 3.33Å
62A54.1Low58.6Low75 Ų75161.2 Ų161.262%0.6275%0.754SS**THydrogen-bonded Turntrans-57-31.4172.700000114P60 R64 R65P60-A62 PolarHBondContact O-N 2.88Å; A62-R64 VanDerWaalsContact C-N 3.32Å; A62-R64 PolarHBondContact O-N 3.16Å; A62-R65 PolarHBondContact O-N 3.48Å
63A55.2Low58Low76 Ų76158.4 Ų158.463%0.62874%0.744SS**Hα-helixtrans-71.7-20-178.400000114.3P60 T61P60-A63 PolarHBondContact O-N 2.91Å; T61-A63 VanDerWaalsContact C-N 3.26Å; T61-A63 PolarHBondContact O-N 3Å
64R54.9Low57.4Low200 Ų200153.6 Ų153.676%0.75573%0.731SS**Hα-helixtrans-79.7-16.1179.7-81.9178.579177.64.1114.1T61 A62T61-R64 PolarHBondContact O-N 3.33Å; A62-R64 VanDerWaalsContact C-N 3.32Å; A62-R64 PolarHBondContact O-N 3.16Å
65R56.9Low57Low202 Ų202148.2 Ų148.276%0.76272%0.719SS**Hα-helixtrans-81.6-23.5-177.9-71.8-170.1177.5-145.1-0.1113.8A62A62-R65 PolarHBondContact O-N 3.48Å
66V57.1Low56.6Low113 Ų113151.3 Ų151.369%0.68572%0.719SS**Hα-helixtrans-73.6-35.4-177.6-175.90000111.9R68 R69V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 3.31Å; V66-R69 PolarHBondContact O-N 3.04Å
67R56.1Low56.2Low225 Ų225147.3 Ų147.385%0.84971%0.71SS**Hα-helixtrans-69.2-23.4-179.4-95.7-173.6171.5-158.3-1.7115.2
68R57.7Low55.9Low204 Ų204147.7 Ų147.777%0.7770%0.704SS**Hα-helixtrans-78.6-30.8179.2-71.8-167.3179.5-1381.9113V66 A72V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 3.31Å; R68-A72 PolarHBondContact O-N 3.44Å
69R59.3Low55.9Low208 Ų208145 Ų14579%0.78570%0.702SS**Hα-helixtrans-73.3-30.5-177.5-67.4-168178.5-147.30.3113V66 H73V66-R69 PolarHBondContact O-N 3.04Å; R69-H73 PolarHBondContact O-N 3.04Å
70Y53.3Low55.7Low174 Ų174145.1 Ų145.168%0.68271%0.709SS**Hα-helixtrans-70.2-36.1177.5-160-99.4000112.8H73 Q74Y70-H73 PolarHBondContact O-N 3.23Å; Y70-Q74 PolarHBondContact O-N 3.05Å
71R56.2Low55.3Low214 Ų214143 Ų14381%0.80871%0.705SS**Hα-helixtrans-72.7-32.3179.9-161.5173.4-169.4167.63113.3H73R71-H73 VanDerWaalsContact C-N 3.34Å
72A55.4Low54.7Low57 Ų57146.9 Ų146.947%0.47172%0.716SS.*Hα-helixtrans-74.4-25.4175.100000112.9R68 S75R68-A72 PolarHBondContact O-N 3.44Å; A72-S75 PolarHBondContact O-OG 2.95Å
73H55.7Low54.4Low138 Ų138150 Ų15064%0.63973%0.727SS**Hα-helixtrans-75.8-31.8178.2-136.4-74.4000112.3R69 Y70 R71 V77R69-H73 PolarHBondContact O-N 3.04Å; Y70-H73 PolarHBondContact O-N 3.23Å; R71-H73 VanDerWaalsContact C-N 3.34Å; H73-V77 WeakPolarHBondContact O-CG2 3.49Å
74Q56.9Low54.1Low122 Ų122155.3 Ų155.357%0.5774%0.739SS**Hα-helixtrans-76.7-27.5178.2-69.7-153.4-1.200114.1Y70 R76 V77Y70-Q74 PolarHBondContact O-N 3.05Å; Q74-R76 PolarHBondContact O-N 3.29Å; Q74-V77 PolarHBondContact O-N 3.06Å
75S57.2Low54Low86 Ų86156.6 Ų156.660%0.60174%0.744SS**THydrogen-bonded Turntrans-75.5-9.5176.656.80000114.2A72A72-S75 PolarHBondContact O-OG 2.95Å
76R58.2Low53.6Low221 Ų221152.7 Ų152.783%0.83474%0.743SS**THydrogen-bonded Turntrans-93.7-6.5177-78.6-175174.5-169.7-2.7114Q74Q74-R76 PolarHBondContact O-N 3.29Å
77V54.4Low53.1Low107 Ų107152.6 Ų152.665%0.64875%0.754SS**SBendtrans-110.815-172.8-1720000111.9H73 Q74 P79H73-V77 WeakPolarHBondContact O-CG2 3.49Å; Q74-V77 PolarHBondContact O-N 3.06Å; V77-P79 WeakPolarHBondContact O-CD 3.39Å
78L54.4Low53Low138 Ų138145.2 Ų145.272%0.72374%0.741SS**SBendtrans-87.6119171.4-65.9179.4000109.7V80L78-V80 PolarHBondContact O-N 2.84Å
79P53.7Low52.9Low118 Ų118142.7 Ų142.777%0.76675%0.749SS**  trans-62.2124.6172.524.3-30.3000109.4V77 G81V77-P79 WeakPolarHBondContact O-CD 3.39Å; P79-G81 PolarHBondContact O-N 2.82Å
80V50.5Low52.6Low156 Ų156144.1 Ų144.195%0.94575%0.754SS**SBendtrans-63.498.8168.5170.60000107.4L78L78-V80 PolarHBondContact O-N 2.84Å
81G46.7Very low52.5Low57 Ų57147 Ų14759%0.58876%0.764SS**  trans179.7129.5175.600000108.9P79P79-G81 PolarHBondContact O-N 2.82Å
82Q44.6Very low52.5Low193 Ų193149 Ų14990%0.90277%0.771SS**  trans87.268178.5-46.7178.6-3.200116.1
83T47.6Very low52Low141 Ų141149.9 Ų149.987%0.86579%0.786SS**  -160.462.5129.8-29.30000111R85T83-R85 PolarHBondContact O-N 3.2Å
84E48.6Very low51.9Low188 Ų188155.9 Ų155.988%0.87980%0.803SS**  trans-76.499.1151.8-72.1-174.2166.500107
85R53.5Low51.6Low227 Ų227153.5 Ų153.586%0.85781%0.812SS**  trans-176.4125.8152.2-105.5161.1-174.7-1741.6111.2T83T83-R85 PolarHBondContact O-N 3.2Å
86T48.9Very low51.5Low120 Ų120154.1 Ų154.174%0.73682%0.816SS**  trans92.162.4155.9-17.20000117.3A88T86-A88 VanDerWaalsContact C-N 3.31Å; T86-A88 HydrophobicContact CG2-CB 4.37Å; T86-A88 PolarHBondContact O-N 2.91Å
87A46.1Very low51.1Low111 Ų111151.2 Ų151.292%0.91782%0.817SS**  trans-75.584147.200000109.1
88A54.2Low51.1Low70 Ų70154.1 Ų154.158%0.57982%0.823SS**  trans-163.787.3170.700000111.6T86T86-A88 VanDerWaalsContact C-N 3.31Å; T86-A88 HydrophobicContact CG2-CB 4.37Å; T86-A88 PolarHBondContact O-N 2.91Å
89T56Low50.9Low151 Ų151159.3 Ų159.393%0.92683%0.833SS**  trans-156.3114.9139.5-3.90000111.3
90R51.6Low50.8Low237 Ų237165.3 Ų165.389%0.89484%0.84SS**  trans-61.1141.1177.9-76.4166.6157.2174.7-6.9111.4
91R52.2Low50.7Low236 Ų236169.9 Ų169.989%0.89184%0.84SS**  trans6.2119.2134-61-178.3175.7-166.5-1.6115.2
92R55.6Low50.5Low254 Ų254170 Ų17096%0.95884%0.842SS**  trans171.8138.9131.8-94.2165.1-159.3-114.26.9109.8
93G46.1Very low50.4Low77 Ų77167.2 Ų167.279%0.79484%0.843SS**  trans123.972157.300000116.2
94R52.2Low50.4Low264 Ų264166.6 Ų166.6100%0.99684%0.839SS**  trans-70133.3142.9-88.7-174.2-179.7-158.70.5107.5
95G51Low50.5Low72 Ų72162.5 Ų162.574%0.74283%0.831SS**  trans162.7107.2170.900000107.4
96S56.2Low50.4Low99 Ų99156.1 Ų156.169%0.69282%0.821SS**  118.8107.768.6169.60000105.9H98S96-H98 PolarHBondContact O-N 3.14Å
97D48.3Very low50.3Low159 Ų159156.5 Ų156.585%0.8583%0.827SS**  trans-55110.3175.8-71.5-55.3000112.5
98H55.4Low50.7Low169 Ų169158.4 Ų158.478%0.78282%0.821SS**  trans-131.5105.5157.5-71.5-23.8000111.1S96 R100S96-H98 PolarHBondContact O-N 3.14Å; H98-R100 PolarHBondContact O-N 2.92Å
99R50.9Low50.4Low247 Ų247158.6 Ų158.693%0.93283%0.83SS**  trans-12.4113148.8-63.1176.9-176.7-172.40.8113.4
100R50.3Low50Low243 Ų243156.8 Ų156.892%0.91782%0.823SS**  trans-139.5112139.7-82.8-162.5176.1-113.5-0.4110H98H98-R100 PolarHBondContact O-N 2.92Å
101R47.6Very low50.2Low252 Ų252148.7 Ų148.795%0.95181%0.814SS**  trans-52.8134.5157.1-66.6171.1-157.2-112.6-2.6108
102G43.6Very low50.3Low61 Ų61144.5 Ų144.563%0.62981%0.807SS**  trans-174.272.7176.200000107.5T104G102-T104 VanDerWaalsContact C-N 3.29Å; G102-T104 PolarHBondContact O-N 2.77Å
103C41.8Very low50.4Low134 Ų134137.2 Ų137.291%0.90580%0.795SS**  trans-66.193169-70.20000108.2
104T49.2Very low51Low128 Ų128137.6 Ų137.679%0.78578%0.782SS**  trans-13755.7161610000108.4G102 S106G102-T104 VanDerWaalsContact C-N 3.29Å; G102-T104 PolarHBondContact O-N 2.77Å; T104-S106 PolarHBondContact O-N 3.13Å
105S49.4Very low50.6Low102 Ų102128.7 Ų128.771%0.71377%0.773SS**  trans-87.795.1159.564.70000106.4C107S105-C107 PolarHBondContact O-N 2.87Å
106S52.5Low50.2Low92 Ų92131.4 Ų131.464%0.64376%0.764SS**  trans-39.7115.6155.7270000108.3T104 L108T104-S106 PolarHBondContact O-N 3.13Å; S106-L108 PolarHBondContact O-N 3.03Å
107C46.4Very low50.3Low128 Ų128132.7 Ų132.787%0.86577%0.77SS**  trans-66.177.4166.7-50.80000106.4S105 G109S105-C107 PolarHBondContact O-N 2.87Å; C107-G109 VanDerWaalsContact C-N 3.34Å; C107-G109 PolarHBondContact O-N 2.76Å
108L54.8Low50.5Low152 Ų152131.4 Ų131.480%0.79676%0.757SS**  trans-58.7106.5166.6-76.7167.9000105.1S106 S110S106-L108 PolarHBondContact O-N 3.03Å; L108-S110 PolarHBondContact O-N 2.78Å; L108-S110 VanDerWaalsContact O-N 3.08Å
109G46.5Very low50.5Low74 Ų74129.4 Ų129.476%0.76375%0.748SS**  trans-45.3119.2-179.700000108.9C107 G111C107-G109 VanDerWaalsContact C-N 3.34Å; C107-G109 PolarHBondContact O-N 2.76Å; G109-G111 PolarHBondContact O-N 2.92Å
110S47.9Very low50.6Low113 Ų113128.8 Ų128.879%0.7975%0.746SS**  trans-6577.8173.6177.80000108.7L108 I112L108-S110 PolarHBondContact O-N 2.78Å; L108-S110 VanDerWaalsContact O-N 3.08Å; S110-I112 PolarHBondContact O-N 2.79Å; S110-I112 VanDerWaalsContact O-N 3.16Å
111G55.3Low50.7Low67 Ų67127.6 Ų127.669%0.69174%0.743SS**  trans-7693.5167.600000108.1G109 S113G109-G111 PolarHBondContact O-N 2.92Å; G111-S113 PolarHBondContact O-N 3.13Å
112I55.7Low50.8Low148 Ų148118.6 Ų118.676%0.75973%0.729SS**  trans-56.293.1162.727.6171.3000107.8S110 T114S110-I112 PolarHBondContact O-N 2.79Å; S110-I112 VanDerWaalsContact O-N 3.16Å; I112-T114 VanDerWaalsContact C-N 3.31Å; I112-T114 PolarHBondContact O-N 2.72Å
113S57.3Low51Low101 Ų101121.9 Ų121.971%0.70674%0.737SS**  trans-66.595169.5-175.80000107.1G111 G115G111-S113 PolarHBondContact O-N 3.13Å; S113-G115 PolarHBondContact O-N 3.41Å
114T57.7Low51.3Low85 Ų85123.6 Ų123.652%0.52174%0.736SS.*  trans-65.4104.1165.451.60000106I112 F116I112-T114 VanDerWaalsContact C-N 3.31Å; I112-T114 PolarHBondContact O-N 2.72Å; T114-F116 PolarHBondContact O-N 2.83Å
115G44.1Very low51.1Low77 Ų77125.8 Ų125.879%0.79474%0.742SS**  trans-61.279.1-176.200000112.8S113S113-G115 PolarHBondContact O-N 3.41Å
116F42.5Very low50.8Low129 Ų129125 Ų12557%0.56674%0.742SS**  trans-107.9133.1164.4-88.1-74.9000108.5T114 F118T114-F116 PolarHBondContact O-N 2.83Å; F116-F118 HydrophobicContact CB-CD1 3.88Å; F116-F118 HydrophobicContact CB-CD2 4.18Å; F116-F118 HydrophobicContact CB-CE1 3.4Å; F116-F118 VanDerWaalsContact CB-CE1 3.4Å; F116-F118 HydrophobicContact CB-CE2 3.7Å; F116-F118 HydrophobicContact CB-CG 4.27Å; F116-F118 HydrophobicContact CB-CZ 3.29Å; F116-F118 HydrophobicContact CD1-CD1 4.18Å; F116-F118 AromaticContact CD1-CE1 3.21Å; F116-F118 HydrophobicContact CD1-CE1 3.21Å; F116-F118 AromaticContact CD1-CZ 3.54Å; F116-F118 HydrophobicContact CD1-CZ 3.54Å; F116-F118 HydrophobicContact CD2-CZ 4.08Å; F116-F118 HydrophobicContact CE1-CE1 4.1Å; F116-F118 HydrophobicContact CE1-CZ 4.34Å; F116-F118 HydrophobicContact CG-CD1 4.4Å; F116-F118 AromaticContact CG-CE1 3.49Å; F116-F118 HydrophobicContact CG-CE1 3.49Å; F116-F118 VanDerWaalsContact CG-CE1 3.49Å; F116-F118 HydrophobicContact CG-CE2 4.21Å; F116-F118 AromaticContact CG-CZ 3.36Å; F116-F118 HydrophobicContact CG-CZ 3.36Å; F116-F118 PolarHBondContact O-N 2.91Å
117P59.6Low50.3Low126 Ų126127.7 Ų127.782%0.81875%0.754SS**THydrogen-bonded Turntrans-73.516.1-170.329.6-34.9000114.9
118F53Low50.3Low132 Ų132126 Ų12658%0.57975%0.749SS**THydrogen-bonded Turntrans-114.1-0.8-170.747-110.8000116.3F116 R120F116-F118 HydrophobicContact CB-CD1 3.88Å; F116-F118 HydrophobicContact CB-CD2 4.18Å; F116-F118 HydrophobicContact CB-CE1 3.4Å; F116-F118 VanDerWaalsContact CB-CE1 3.4Å; F116-F118 HydrophobicContact CB-CE2 3.7Å; F116-F118 HydrophobicContact CB-CG 4.27Å; F116-F118 HydrophobicContact CB-CZ 3.29Å; F116-F118 HydrophobicContact CD1-CD1 4.18Å; F116-F118 AromaticContact CD1-CE1 3.21Å; F116-F118 HydrophobicContact CD1-CE1 3.21Å; F116-F118 AromaticContact CD1-CZ 3.54Å; F116-F118 HydrophobicContact CD1-CZ 3.54Å; F116-F118 HydrophobicContact CD2-CZ 4.08Å; F116-F118 HydrophobicContact CE1-CE1 4.1Å; F116-F118 HydrophobicContact CE1-CZ 4.34Å; F116-F118 HydrophobicContact CG-CD1 4.4Å; F116-F118 AromaticContact CG-CE1 3.49Å; F116-F118 HydrophobicContact CG-CE1 3.49Å; F116-F118 VanDerWaalsContact CG-CE1 3.49Å; F116-F118 HydrophobicContact CG-CE2 4.21Å; F116-F118 AromaticContact CG-CZ 3.36Å; F116-F118 HydrophobicContact CG-CZ 3.36Å; F116-F118 PolarHBondContact O-N 2.91Å; F118-R120 PolarHBondContact O-N 3.24Å
119E54.7Low49.8Very low127 Ų127126.9 Ų126.959%0.59376%0.755SS**THydrogen-bonded Turntrans-88.58.9-175.5-70.5-169.5167.100116.1
120R52.6Low49.9Very low234 Ų234132.9 Ų132.988%0.88376%0.76SS**THydrogen-bonded Turntrans-93.5-1.4-176.9-68.9-164.8-168.4-141.53.3116.6F118F118-R120 PolarHBondContact O-N 3.24Å
121Y52.2Low49.7Very low217 Ų217132.1 Ų132.185%0.85176%0.755SS**SBendtrans-104.64.5-174.3-66.7-76.2000115.3
122G49.2Very low49.1Very low64 Ų64136.9 Ų136.966%0.6676%0.759SS**SBendtrans-107.9-7.9-174.400000117.2
123V49.2Very low48.4Very low130 Ų130136.4 Ų136.479%0.78875%0.754SS**THydrogen-bonded Turntrans-10016.7-166.2-174.20000113.5
124L47.8Very low47.5Very low170 Ų170142.2 Ų142.289%0.8976%0.76SS**THydrogen-bonded Turntrans-1103.1-179.7-79.7172.1000115.8
125L44.1Very low46.8Very low174 Ų174149.4 Ų149.491%0.91178%0.777SS**SBendtrans-101.76.6179.7-9798.3000115.9
126A42.8Very low46.7Very low86 Ų86154.4 Ų154.471%0.71178%0.78SS**SBendtrans-126.171.7-178.100000111.4
127T43.1Very low46.6Very low147 Ų147154.3 Ų154.390%0.90279%0.79SS**SBendtrans169.667.3151.449.20000110.7
128A46Very low45.8Very low92 Ų92154.7 Ų154.776%0.7679%0.79SS**  trans-162.650.2170.400000113.2
129N45.5Very low45.5Very low171 Ų171152.7 Ų152.791%0.91480%0.798SS**  trans-126.573167.8-75.1-38.6000109
130K48.4Very low44.9Very low200 Ų200155 Ų15587%0.8781%0.813SS**  trans-140.3131.4161.3-86.8-172176.4178.20108.9
131S42.2Very low44.1Very low97 Ų97146.9 Ų146.968%0.67880%0.802SS**  trans70123157.667.60000119.5
132Q43.5Very low43.9Very low168 Ų168145.3 Ų145.379%0.78581%0.808SS**  trans70.1141.4137.2-83.2175.5-80.400116.1
133E41.9Very low43.2Very low138 Ų138147.7 Ų147.765%0.64581%0.814SS**  cis-175.9151.15.5172168.2167.100104.9
134R38.2Very low43Very low223 Ų223147.1 Ų147.184%0.84281%0.813SS**  trans-19.1129.7165.8-73.1168157.1179.1-6.7114.8
135R43Very low42.8Very low235 Ų235150.6 Ų150.689%0.88782%0.815SS**  -177.3132.4113.6-95.6155.4-176.5-175.72.2111.6
136H40.5Very low42.9Very low182 Ų182147.7 Ų147.784%0.84381%0.809SS**  trans-55.5133.2170.6-68.5-115.9000110.8
137T42.1Very low43.3Very low128 Ų128153.4 Ų153.479%0.78582%0.821SS**  trans-148.8109.1147.3-51.10000108.3
138V42Very low43.7Very low134 Ų134153.7 Ų153.781%0.81282%0.817SS**  trans-79.4113167.6-169.30000105.6
139A46.8Very low43.9Very low90 Ų90160.6 Ų160.674%0.74482%0.823SS**  trans-126.7103.317100000108.6
140L41.1Very low44.3Very low174 Ų174160.7 Ų160.791%0.91182%0.823SS**  trans-55.4133.5163.9-67158.3000109.3
141G36.5Very low44.6Very low64 Ų64156.6 Ų156.666%0.6682%0.815SS**  trans153.3114.5164.800000113.7
142L47.5Very low44.9Very low184 Ų184159.3 Ų159.396%0.96382%0.816SS**  trans88.792.3158.1-44.5177.9000116.4
143S34.4Very low45.4Very low114 Ų114156.3 Ų156.380%0.79781%0.809SS**  trans-122.7161.9153.6-157.20000106.9
144P46.7Very low46.4Very low118 Ų118156.4 Ų156.477%0.76681%0.809SS**  cis-130.8133.5-24.827.2-7.9000110.8
145R42.2Very low47.5Very low244 Ų244151.6 Ų151.692%0.92180%0.8SS**  trans-133.6108.4177.9-143166.7175.7160.2-2.6113.3
146S47.4Very low48.2Very low112 Ų112147.1 Ų147.178%0.78379%0.793SS**  trans6174.6159.163.60000118.5
147Q49.7Very low48.8Very low206 Ų206146.4 Ų146.496%0.96379%0.787SS**  trans-100.316.3158.8-79.5176-19.700113
148D52.6Low49.3Very low153 Ų153145.8 Ų145.882%0.81878%0.784SS**  trans-122.429-156.4-152.225.1000116
149R48.9Very low49.9Very low237 Ų237150.2 Ų150.289%0.89479%0.786SS**  trans-141.613.1179.8-77.4-160.1152.3-157-7.5117.4T151R149-T151 PolarHBondContact O-N 3.4Å
150L55.5Low50.5Low174 Ų174151.7 Ų151.791%0.91178%0.782SS**SBendtrans-75.286.4164.8-82.9162.9000108.2H152L150-H152 PolarHBondContact O-N 3.41Å
151T53.7Low51Low114 Ų114147.9 Ų147.970%0.69977%0.767SS**  trans-26.8108.9166.342.90000110.6R149 V153R149-T151 PolarHBondContact O-N 3.4Å; T151-V153 PolarHBondContact O-N 3.24Å
152H48.9Very low52.1Low154 Ų154148.2 Ų148.271%0.71376%0.759SS**  trans-6371.6161.9-166-111.8000107.7L150 Q154L150-H152 PolarHBondContact O-N 3.41Å; H152-Q154 VanDerWaalsContact CE1-CD 3.4Å; H152-Q154 VanDerWaalsContact CE1-CG 3.42Å; H152-Q154 WeakPolarHBondContact CE1-CG 3.37Å; H152-Q154 PolarHBondContact CE1-NE2 2.99Å; H152-Q154 WeakPolarHBondContact ND1-CG 2.93Å; H152-Q154 PolarHBondContact O-N 2.93Å
153V53.1Low52.4Low105 Ų105145.2 Ų145.264%0.63675%0.751SS**  trans-72.186.1163.2-176.60000104.1T151 L155T151-V153 PolarHBondContact O-N 3.24Å; V153-L155 PolarHBondContact O-N 3.25Å
154Q62.8Low53.7Low139 Ų139147.6 Ų147.665%0.6575%0.754SS**  trans-56.994.1158.8-86.9169.1-19.300105.9H152 L156H152-Q154 VanDerWaalsContact CE1-CD 3.4Å; H152-Q154 VanDerWaalsContact CE1-CG 3.42Å; H152-Q154 WeakPolarHBondContact CE1-CG 3.37Å; H152-Q154 PolarHBondContact CE1-NE2 2.99Å; H152-Q154 WeakPolarHBondContact ND1-CG 2.93Å; H152-Q154 PolarHBondContact O-N 2.93Å; Q154-L156 PolarHBondContact O-N 3.35Å
155L61.6Low54.3Low123 Ų123153.2 Ų153.264%0.64476%0.76SS**  trans-57.992.9157.6-82155.9000105.3V153 F157V153-L155 PolarHBondContact O-N 3.25Å; L155-F157 HydrophobicContact CB-CD2 3.72Å; L155-F157 HydrophobicContact CB-CE2 3.49Å; L155-F157 VanDerWaalsContact CB-CE2 3.49Å; L155-F157 HydrophobicContact CB-CZ 4.24Å; L155-F157 HydrophobicContact CD1-CE2 3.91Å; L155-F157 HydrophobicContact CD1-CZ 4.29Å; L155-F157 HydrophobicContact CD2-CE2 4.16Å; L155-F157 HydrophobicContact CD2-CZ 4.07Å; L155-F157 HydrophobicContact CG-CE2 4.06Å; L155-F157 HydrophobicContact CG-CZ 4.44Å; L155-F157 PolarHBondContact O-N 3.39Å
156L58Low54.9Low141 Ų141147.3 Ų147.374%0.73875%0.753SS**  trans-6873.8169.9-157.479.8000106.1Q154 T158Q154-L156 PolarHBondContact O-N 3.35Å; L156-T158 HydrophobicContact CD2-CG2 4.43Å; L156-T158 PolarHBondContact O-N 3.08Å
157F53.1Low55.5Low166 Ų166146.5 Ų146.573%0.72875%0.747SS**  trans-68.187.6162.1-70.8-71.5000105.6L155 W159L155-F157 HydrophobicContact CB-CD2 3.72Å; L155-F157 HydrophobicContact CB-CE2 3.49Å; L155-F157 VanDerWaalsContact CB-CE2 3.49Å; L155-F157 HydrophobicContact CB-CZ 4.24Å; L155-F157 HydrophobicContact CD1-CE2 3.91Å; L155-F157 HydrophobicContact CD1-CZ 4.29Å; L155-F157 HydrophobicContact CD2-CE2 4.16Å; L155-F157 HydrophobicContact CD2-CZ 4.07Å; L155-F157 HydrophobicContact CG-CE2 4.06Å; L155-F157 HydrophobicContact CG-CZ 4.44Å; L155-F157 PolarHBondContact O-N 3.39Å; F157-W159 PolarHBondContact O-N 3.21Å
158T53.7Low55.9Low115 Ų115148 Ų14871%0.70674%0.744SS**  trans-63.278.6163.717.50000107.5L156 N160L156-T158 HydrophobicContact CD2-CG2 4.43Å; L156-T158 PolarHBondContact O-N 3.08Å; T158-N160 PolarHBondContact O-N 2.9Å
159W53.5Low55.9Low228 Ų228149.8 Ų149.886%0.86475%0.745SS**  trans-67.791158.2-162-87.6000105.3F157 P161F157-W159 PolarHBondContact O-N 3.21Å; W159-P161 VanDerWaalsContact C-CD 3.49Å; W159-P161 WeakPolarHBondContact O-CD 3.35Å
160N59.5Low56.3Low121 Ų121143.9 Ų143.965%0.64774%0.74SS**  trans-89.892.8168.5177.93.3000106.8T158 S162T158-N160 PolarHBondContact O-N 2.9Å; N160-S162 PolarHBondContact ND2-OG 3.37Å; N160-S162 PolarHBondContact O-N 3.27Å; N160-S162 PolarHBondContact OD1-N 3.13Å; N160-S162 PolarHBondContact OD1-OG 3.13Å; N160-S162 VanDerWaalsContact OD1-OG 3.14Å
161P51.1Low56.2Low93 Ų93144 Ų14460%0.60474%0.74SS**  trans-76.182165.634.4-30.2000105.4W159 P163W159-P161 VanDerWaalsContact C-CD 3.49Å; W159-P161 WeakPolarHBondContact O-CD 3.35Å; P161-P163 WeakPolarHBondContact O-CD 2.96Å; P161-P163 VanDerWaalsContact O-N 3.1Å
162S59.7Low56.2Low71 Ų71151.1 Ų151.150%0.49777%0.766SS.*  trans-53.5123.1166.4-72.10000106.7N160 L164N160-S162 PolarHBondContact ND2-OG 3.37Å; N160-S162 PolarHBondContact O-N 3.27Å; N160-S162 PolarHBondContact OD1-N 3.13Å; N160-S162 PolarHBondContact OD1-OG 3.13Å; N160-S162 VanDerWaalsContact OD1-OG 3.14Å; S162-L164 PolarHBondContact O-N 3Å
163P53.4Low56.6Low121 Ų121151 Ų15179%0.78677%0.769SS**  trans-64.8104.3178.423.5-29.3000106.4P161 R165P161-P163 WeakPolarHBondContact O-CD 2.96Å; P161-P163 VanDerWaalsContact O-N 3.1Å; P163-R165 VanDerWaalsContact C-N 3.31Å; P163-R165 PolarHBondContact O-N 2.93Å
164L61.4Low56.8Low164 Ų164153.4 Ų153.486%0.85978%0.776SS**  trans-55.5101.7169.4-69172.1000106.2S162 P166S162-L164 PolarHBondContact O-N 3Å; L164-P166 VanDerWaalsContact O-CD 3.28Å; L164-P166 WeakPolarHBondContact O-CD 2.98Å; L164-P166 VanDerWaalsContact O-N 3.16Å
165R61Low56.4Low236 Ų236154.2 Ų154.289%0.89178%0.783SS**  trans-51.7118.4171.2-112.9-175.5174.8-176.8-0.6106.8P163 S167P163-R165 VanDerWaalsContact C-N 3.31Å; P163-R165 PolarHBondContact O-N 2.93Å; R165-S167 PolarHBondContact O-N 2.97Å
166P53.4Low56.1Low120 Ų120156.1 Ų156.178%0.77979%0.791SS**  trans-66.1113.2167.624.9-28.2000107.4L164 R168L164-P166 VanDerWaalsContact O-CD 3.28Å; L164-P166 WeakPolarHBondContact O-CD 2.98Å; L164-P166 VanDerWaalsContact O-N 3.16Å; P166-R168 PolarHBondContact O-N 2.82Å
167S59.7Low56Low95 Ų95157 Ų15766%0.66479%0.794SS**  trans-53.2123.9163.7-178.60000107.8R165 F169R165-S167 PolarHBondContact O-N 2.97Å; S167-F169 PolarHBondContact O-N 2.92Å
168R58.3Low56.2Low238 Ų238156.4 Ų156.490%0.89880%0.798SS**  trans-6598.5174.4-72.4-176.5170.8176-4108P166 S170P166-R168 PolarHBondContact O-N 2.82Å; R168-S170 PolarHBondContact O-N 3.08Å
169F54.5Low56.4Low190 Ų190159.4 Ų159.483%0.83381%0.805SS**  trans-73.698154.8-81.7-87.7000106.8S167S167-F169 PolarHBondContact O-N 2.92Å
170S56.2Low56.6Low113 Ų113154.1 Ų154.179%0.7980%0.801SS**  trans-72.5122.5157.142.20000107.4R168R168-S170 PolarHBondContact O-N 3.08Å
171L54.3Low56.3Low176 Ų176156.8 Ų156.892%0.92181%0.813SS**  trans-12387.1171.3-154.3141.6000105
172E53Low56.8Low265 Ų265162.6 Ų162.6100%1.23883%0.832SS**  trans-140.40164.2-164.9172.5-170.300106.5

Retrieved 172 of 172 residues in 99 ms (Link to these results)