A0A5K4F0R1_SCHMA Loading...

Lymphocyte expansion molecule

AlphaFold DB , UniProt , Accession A0A5K4F0R1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 383 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
1M36.9Very low44.2Very low159 Ų159114.2 Ų114.278%0.78364%0.639SS**  0111.80-81.7179.8151.700110C3 D167M1-C3 PolarHBondContact O-N 2.73Å; M1-C3 VanDerWaalsContact O-N 3.15Å; M1-D167 HydrophobicContact CE-CB 4.28Å
2I40.7Very low44.4Very low163 Ų163114.1 Ų114.184%0.83664%0.636SS**  trans-73.8101.2163.9-63.3168.1000104.9K4I2-K4 PolarHBondContact O-N 3.3Å
3C40.1Very low44.5Very low74 Ų74117.8 Ų117.850%0.563%0.634SS.*  trans-62.1101.7176.8-58.30000108.2M1M1-C3 PolarHBondContact O-N 2.73Å; M1-C3 VanDerWaalsContact O-N 3.15Å
4K46.5Very low45Very low190 Ų190122.4 Ų122.483%0.82665%0.65SS**PPolyproline II helixtrans-57.5123.6165.6-73.3-176.1177.9179.70106.9I2I2-K4 PolarHBondContact O-N 3.3Å
5P46.1Very low45.3Very low39 Ų39122.4 Ų122.425%0.25364%0.637SS.*PPolyproline II helixtrans-62141.2174.725.9-32.4000109.2S9P5-S9 WeakPolarHBondContact CG-O 3.47Å; P5-S9 WeakPolarHBondContact CG-OG 3.1Å
6P38.6Very low45.8Very low92 Ų92122.2 Ų122.260%0.59764%0.642SS**SBendtrans-64.1147.216631.7-30.9000106.8
7F46.3Very low46.4Very low186 Ų186124.3 Ų124.382%0.81665%0.654SS**SBendtrans77.463-179.9-38.3-70.3000116.1S9F7-S9 PolarHBondContact O-N 2.88Å
8G45.2Very low47Very low82 Ų82120.8 Ų120.885%0.84564%0.639SS**SBendtrans56.64152.700000119
9S45.2Very low47.5Very low51 Ų51119.4 Ų119.436%0.35763%0.628SS.*  trans-90.3114.5-173.166.90000109.7P5 F7 T11P5-S9 WeakPolarHBondContact CG-O 3.47Å; P5-S9 WeakPolarHBondContact CG-OG 3.1Å; F7-S9 PolarHBondContact O-N 2.88Å; S9-T11 PolarHBondContact O-N 3.27Å; S9-T11 VanDerWaalsContact O-N 3.09Å
10I50.8Low48.3Very low134 Ų134118.3 Ų118.369%0.68763%0.628SS**  trans-77.214.7179.7-50.7168.2000111.3D12 I26I10-D12 PolarHBondContact O-N 2.92Å; I10-D12 VanDerWaalsContact O-N 3.08Å; I10-I26 HydrophobicContact CB-CD1 3.84Å; I10-I26 HydrophobicContact CG2-CD1 3.68Å
11T49.7Very low48.9Very low86 Ų86121.8 Ų121.853%0.52863%0.633SS.*  trans-77.4105.1-173.454.50000111.7S9 R13S9-T11 PolarHBondContact O-N 3.27Å; S9-T11 VanDerWaalsContact O-N 3.09Å; T11-R13 PolarHBondContact O-N 3.12Å
12D46.9Very low50Low113 Ų113117.9 Ų117.960%0.60461%0.609SS**  trans-49.5119.8168-112.2-22.3000111.2I10 Q14I10-D12 PolarHBondContact O-N 2.92Å; I10-D12 VanDerWaalsContact O-N 3.08Å; D12-Q14 PolarHBondContact O-N 3.22Å
13R45.6Very low50.7Low163 Ų163113.7 Ų113.762%0.61559%0.587SS**THydrogen-bonded Turntrans-67.34.3-177.4-71.4-174.2178.3-176.7-0.3114.7T11 R15 V16T11-R13 PolarHBondContact O-N 3.12Å; R13-R15 VanDerWaalsContact C-N 3.31Å; R13-R15 PolarHBondContact O-N 3.1Å; R13-V16 WeakPolarHBondContact O-CG2 3.36Å
14Q51.2Low51.7Low181 Ų181116.4 Ų116.485%0.84659%0.591SS**THydrogen-bonded Turntrans-830.9178.9-66.2-171.2-12.500114.2D12D12-Q14 PolarHBondContact O-N 3.22Å
15R49.8Very low52.1Low123 Ų123114 Ų11446%0.46458%0.582SS.*  trans-115.341.2-170.5-60.6-172.3-179.7175.24.2114.5R13 N17R13-R15 VanDerWaalsContact C-N 3.31Å; R13-R15 PolarHBondContact O-N 3.1Å; R15-N17 PolarHBondContact O-N 3.14Å; R15-N17 VanDerWaalsContact O-N 3.1Å
16V53.5Low52.5Low119 Ų119117.7 Ų117.772%0.72160%0.598SS**THydrogen-bonded Turntrans-65.8-13.8-171.5-175.10000114.1R13R13-V16 WeakPolarHBondContact O-CG2 3.36Å
17N55.5Low53Low158 Ų158117.9 Ų117.985%0.84559%0.594SS**THydrogen-bonded Turntrans-113.616.6-172.6-64.1-12.5000115.2R15R15-N17 PolarHBondContact O-N 3.14Å; R15-N17 VanDerWaalsContact O-N 3.1Å
18V57.3Low53.2Low61 Ų61112 Ų11237%0.3758%0.576SS.*SBendtrans-110.1120.8179.4-175.30000109.3W22 M23V18-W22 HydrophobicContact CG1-CB 3.62Å; V18-M23 HydrophobicContact CG1-CG 4.49Å
19H57.3Low53.5Low94 Ų94113.5 Ų113.544%0.43557%0.569SS.*  trans-51.8140.6175.7-173.9-82.6000110.4R21 W22 M23H19-R21 VanDerWaalsContact ND1-CB 3.26Å; H19-R21 WeakPolarHBondContact ND1-CB 3.49Å; H19-R21 PolarHBondContact ND1-N 3.49Å; H19-R21 VanDerWaalsContact ND1-N 3.19Å; H19-R21 PolarHBondContact O-N 3.36Å; H19-R21 VanDerWaalsContact O-N 3.1Å; H19-W22 HydrophobicContact CB-CD2 4.19Å; H19-W22 HydrophobicContact CB-CE3 3.73Å; H19-W22 HydrophobicContact CB-CZ3 4.07Å; H19-W22 WeakPolarHBondContact O-CA 3.14Å; H19-W22 PolarHBondContact O-N 2.78Å; H19-M23 PolarHBondContact O-N 3.15Å
20P63.1Low53.9Low98 Ų98116 Ų11664%0.63658%0.578SS**G310 helixtrans-49-42-176.9-28.433.3000113.8W22 M23P20-W22 PolarHBondContact O-N 3.42Å; P20-W22 VanDerWaalsContact O-N 3.1Å; P20-M23 VanDerWaalsContact O-CB 3.31Å; P20-M23 WeakPolarHBondContact O-CB 3.49Å; P20-M23 PolarHBondContact O-N 2.92Å
21R61.4Low54.2Low191 Ų191115.5 Ų115.572%0.72158%0.576SS**G310 helixtrans-52.7-30173.7-172.9177.6174.2178-0.4114.6H19H19-R21 VanDerWaalsContact ND1-CB 3.26Å; H19-R21 WeakPolarHBondContact ND1-CB 3.49Å; H19-R21 PolarHBondContact ND1-N 3.49Å; H19-R21 VanDerWaalsContact ND1-N 3.19Å; H19-R21 PolarHBondContact O-N 3.36Å; H19-R21 VanDerWaalsContact O-N 3.1Å
22W58.6Low54.5Low77 Ų77111.8 Ų111.829%0.29255%0.554SS.*G310 helixtrans-104-1.1-178.6-56.1-33.6000112.7V18 H19 P20 K24 R69 P74 L76V18-W22 HydrophobicContact CG1-CB 3.62Å; H19-W22 HydrophobicContact CB-CD2 4.19Å; H19-W22 HydrophobicContact CB-CE3 3.73Å; H19-W22 HydrophobicContact CB-CZ3 4.07Å; H19-W22 WeakPolarHBondContact O-CA 3.14Å; H19-W22 PolarHBondContact O-N 2.78Å; P20-W22 PolarHBondContact O-N 3.42Å; P20-W22 VanDerWaalsContact O-N 3.1Å; W22-K24 PolarHBondContact O-N 3.25Å; W22-R69 PolarHBondContact O-NH2 2.68Å; W22-P74 HydrophobicContact CH2-CG 3.83Å; W22-P74 HydrophobicContact CZ2-CG 3.69Å; W22-L76 HydrophobicContact CZ3-CD1 4.39Å
23M56.9Low54.7Low76 Ų76111.7 Ų111.737%0.37456%0.56SS.*SBendtrans-63.8135.7172.1-68.5-175.2126.900109.4V18 H19 P20 E25 R69V18-M23 HydrophobicContact CG1-CG 4.49Å; H19-M23 PolarHBondContact O-N 3.15Å; P20-M23 VanDerWaalsContact O-CB 3.31Å; P20-M23 WeakPolarHBondContact O-CB 3.49Å; P20-M23 PolarHBondContact O-N 2.92Å; M23-E25 VanDerWaalsContact C-N 3.33Å; M23-E25 PolarHBondContact O-N 2.89Å; M23-R69 PolarHBondContact O-NH2 2.87Å
24K59.3Low54.9Low131 Ų131107 Ų10757%0.5756%0.562SS**  trans-67100167.4-75-174.1174.1-1700106.1W22 I26 R69W22-K24 PolarHBondContact O-N 3.25Å; K24-I26 PolarHBondContact O-N 3.48Å; K24-R69 VanDerWaalsContact N-NH2 3.1Å
25E56.9Low54.5Low140 Ų140101.1 Ų101.165%0.65454%0.54SS*.  trans-54.1123.1158.8-72.7-176.2165.400106.2M23 L27M23-E25 VanDerWaalsContact C-N 3.33Å; M23-E25 PolarHBondContact O-N 2.89Å; E25-L27 HydrophobicContact CB-CD1 4.47Å; E25-L27 HydrophobicContact CB-CG 4.03Å; E25-L27 PolarHBondContact O-N 3.2Å
26I54.3Low54.4Low115 Ų115105.2 Ų105.259%0.5956%0.557SS**  trans-74.970.9165.5-54.7164.8000103.7I10 K24 S28I10-I26 HydrophobicContact CB-CD1 3.84Å; I10-I26 HydrophobicContact CG2-CD1 3.68Å; K24-I26 PolarHBondContact O-N 3.48Å; I26-S28 PolarHBondContact O-N 3.42Å; I26-S28 VanDerWaalsContact O-N 3.11Å
27L48.7Very low54.1Low97 Ų97108.6 Ų108.651%0.50857%0.565SS.*  trans-62.2114.3162.1-73.5163.5000103.5E25 T29E25-L27 HydrophobicContact CB-CD1 4.47Å; E25-L27 HydrophobicContact CB-CG 4.03Å; E25-L27 PolarHBondContact O-N 3.2Å; L27-T29 PolarHBondContact O-N 3.18Å
28S50.3Low53.5Low62 Ų62110 Ų11043%0.43456%0.56SS.*  trans-43.6135.6169.9390000107.5I26 D30 I31I26-S28 PolarHBondContact O-N 3.42Å; I26-S28 VanDerWaalsContact O-N 3.11Å; S28-D30 PolarHBondContact O-N 3.36Å; S28-I31 WeakPolarHBondContact OG-CD1 3.29Å
29T50.8Low52.9Low114 Ų114113.3 Ų113.370%0.69958%0.576SS**THydrogen-bonded Turntrans-61.66.7-168.540.20000115L27L27-T29 PolarHBondContact O-N 3.18Å
30D53.1Low52.2Low102 Ų102118 Ų11855%0.54560%0.597SS.*THydrogen-bonded Turntrans-125.13.6-158-45.2-31.5000112.4S28 G32 C35S28-D30 PolarHBondContact O-N 3.36Å; D30-G32 VanDerWaalsContact C-N 3.33Å; D30-G32 PolarHBondContact O-N 3.47Å; D30-C35 WeakPolarHBondContact O-CB 3.21Å
31I57.5Low51.1Low125 Ų125118 Ų11864%0.64160%0.6SS**  trans-96.624.1-177.9-48.1163.3000112S28S28-I31 WeakPolarHBondContact OG-CD1 3.29Å
32G56.6Low50.2Low7 Ų7115.8 Ų115.87%0.07260%0.602CS.*SBendtrans-86.5149.9176.100000112.8D30 G34 C35 W61D30-G32 VanDerWaalsContact C-N 3.33Å; D30-G32 PolarHBondContact O-N 3.47Å; G32-G34 PolarHBondContact O-N 2.84Å; G32-G34 VanDerWaalsContact O-N 3.12Å; G32-C35 PolarHBondContact O-N 3.18Å; G32-C35 VanDerWaalsContact O-N 3.15Å; G32-W61 VanDerWaalsContact CA-CZ2 3.48Å
33P50.7Low49.1Very low112 Ų112117.9 Ų117.973%0.72762%0.623SS**THydrogen-bonded Turntrans-56.7120.3168.524.3-31.7000109.5
34G50.8Low48.3Very low63 Ų63121.4 Ų121.465%0.64964%0.643SS**THydrogen-bonded Turntrans109.60-176.200000115.8G32G32-G34 PolarHBondContact O-N 2.84Å; G32-G34 VanDerWaalsContact O-N 3.12Å
35C41.7Very low47Very low58 Ų58124.1 Ų124.139%0.39266%0.655SS.*  trans-108.484.6173.8-66.30000110D30 G32D30-C35 WeakPolarHBondContact O-CB 3.21Å; G32-C35 PolarHBondContact O-N 3.18Å; G32-C35 VanDerWaalsContact O-N 3.15Å
36Y48.6Very low46.1Very low209 Ų209128.7 Ų128.782%0.8267%0.666SS**  trans-110130.1163.7-63.3-76.9000107.5Y38Y36-Y38 PolarHBondContact O-N 3.49Å
37E46.9Very low45Very low191 Ų191131 Ų13189%0.89368%0.68SS**  trans-57.7124.1167.6-80.6177.9148.700108.3D39E37-D39 PolarHBondContact O-N 2.93Å
38Y43.4Very low44.5Very low186 Ų186131.6 Ų131.673%0.72969%0.687SS**  trans-86.3105.5175.9-175-92.1000107.9Y36 E40Y36-Y38 PolarHBondContact O-N 3.49Å; Y38-E40 HydrophobicContact CD1-CG 4.41Å; Y38-E40 PolarHBondContact O-N 3.26Å
39D44.7Very low44.1Very low132 Ų132134.6 Ų134.671%0.70670%0.697SS**  trans-66.2112.2171-79.9-29.3000109.7E37 S41E37-D39 PolarHBondContact O-N 2.93Å; D39-S41 PolarHBondContact O-N 3.25Å
40E42.2Very low43.3Very low191 Ų191137.4 Ų137.489%0.89371%0.708SS**SBendtrans-67.429.8-176.6-80.1-173.5151.500115.6Y38Y38-E40 HydrophobicContact CD1-CG 4.41Å; Y38-E40 PolarHBondContact O-N 3.26Å
41S40.6Very low42.6Very low99 Ų99136 Ų13669%0.69270%0.703SS**  trans-116.119.2-171.466.40000116.9D39D39-S41 PolarHBondContact O-N 3.25Å
42L41Very low42Very low144 Ų144134.9 Ų134.975%0.75470%0.704SS**  trans-126.8102.9172.8-74.3167.1000112.5
43T35.3Very low41.4Very low121 Ų121139.8 Ų139.874%0.74273%0.728SS**  trans-38.1128.116352.60000112.9
44L40.1Very low41.2Very low151 Ų151140.4 Ų140.479%0.79173%0.725SS**  trans151.2110.8133-80.6157.2000110.5
45K32.5Very low41Very low188 Ų188145.9 Ų145.982%0.81773%0.731SS**  trans35.1101.1146.2-72.6176.9173176.10116.3
46R37.7Very low41.2Very low236 Ų236149 Ų14989%0.89174%0.744SS**  trans-163.1101.6136.3-104.4157-164.5140.30.1110.5T48R46-T48 PolarHBondContact O-N 3.14Å
47N31.9Very low41.2Very low164 Ų164145.9 Ų145.988%0.87774%0.741SS**  trans-55.3110.7152.2-72-20.4000107.6
48T38.8Very low41.6Very low108 Ų108140.8 Ų140.866%0.66372%0.719SS**  trans-165.4105.1151.733.10000111.5R46R46-T48 PolarHBondContact O-N 3.14Å
49I40.7Very low42.4Very low125 Ų125135 Ų13564%0.64171%0.706SS**  trans72.684.2131.5-51.6165.6000115.5T51I49-T51 VanDerWaalsContact C-N 3.28Å; I49-T51 HydrophobicContact CG2-CG2 3.19Å; I49-T51 PolarHBondContact O-N 3.15Å
50N35.3Very low43.4Very low174 Ų174130.7 Ų130.793%0.9369%0.693SS**  trans-55.792.3146.6-76-31.5000109
51T38Very low44.7Very low72 Ų72127.2 Ų127.244%0.44267%0.672SS.*  trans-106.7121169.933.80000110.2I49 N53 L54I49-T51 VanDerWaalsContact C-N 3.28Å; I49-T51 HydrophobicContact CG2-CG2 3.19Å; I49-T51 PolarHBondContact O-N 3.15Å; T51-N53 PolarHBondContact O-N 3.12Å; T51-L54 PolarHBondContact O-N 3.22Å
52P44.8Very low46.1Very low101 Ų101127.2 Ų127.266%0.65666%0.659SS**THydrogen-bonded Turntrans-63.8-2.1177.126-33.5000113.9
53N44Very low47.5Very low111 Ų111129.3 Ų129.359%0.59466%0.657SS**THydrogen-bonded Turntrans-84.6-16.8-177.1-65-22.1000114T51 N56T51-N53 PolarHBondContact O-N 3.12Å; N53-N56 PolarHBondContact O-N 2.92Å
54L45.9Very low49.5Very low125 Ų125130.4 Ų130.465%0.65465%0.654SS**Hα-helixtrans-74.5-29.4178.2-140.578.1000112.4T51 N56 N57 I58T51-L54 PolarHBondContact O-N 3.22Å; L54-N56 PolarHBondContact O-N 3.02Å; L54-N57 PolarHBondContact O-N 3.29Å; L54-I58 VanDerWaalsContact O-CD1 3.29Å; L54-I58 WeakPolarHBondContact O-CD1 3.47Å; L54-I58 WeakPolarHBondContact O-CG1 3.32Å
55K47.2Very low51.3Low177 Ų177128.7 Ų128.777%0.7764%0.638SS**Hα-helixtrans-68-21.6176.6-73.7-173.5177.2-178.60113.6
56N46.6Very low53.3Low124 Ų124124.1 Ų124.166%0.66362%0.619SS**Hα-helixtrans-84.4-23.3-178.5-72.1-11.5000113.4N53 L54N53-N56 PolarHBondContact O-N 2.92Å; L54-N56 PolarHBondContact O-N 3.02Å
57N48.7Very low55.4Low143 Ų143117.3 Ų117.377%0.76560%0.603SS**Hα-helixtrans-90-18.8178.4-92.5-12.2000114.2L54 S59L54-N57 PolarHBondContact O-N 3.29Å; N57-S59 PolarHBondContact O-N 2.87Å; N57-S59 VanDerWaalsContact O-N 3.16Å
58I53.5Low57.7Low85 Ų85115.7 Ų115.744%0.43659%0.591SS.*THydrogen-bonded Turntrans-70.7-10.4179.5-62.2162.1000111.9L54 W61L54-I58 VanDerWaalsContact O-CD1 3.29Å; L54-I58 WeakPolarHBondContact O-CD1 3.47Å; L54-I58 WeakPolarHBondContact O-CG1 3.32Å; I58-W61 PolarHBondContact O-NE1 3.04Å
59S60.9Low59.3Low63 Ų63113.1 Ų113.144%0.44157%0.569SS.*THydrogen-bonded Turntrans-100.91.3-173.9-169.70000115.6N57 R63N57-S59 PolarHBondContact O-N 2.87Å; N57-S59 VanDerWaalsContact O-N 3.16Å; S59-R63 PolarHBondContact O-N 3.37Å
60G66.9Low60.9Low43 Ų43112.1 Ų112.144%0.44357%0.565SS.*Hα-helixtrans-64.3-54.6-176.200000113.3K62 R63 E64G60-K62 VanDerWaalsContact C-N 3.29Å; G60-K62 PolarHBondContact O-N 3.33Å; G60-R63 PolarHBondContact O-N 2.83Å; G60-R63 VanDerWaalsContact O-N 3.16Å; G60-E64 PolarHBondContact O-N 3.47Å
61W69.4Low62.9Low117 Ų117108 Ų10844%0.44355%0.554SS.*Hα-helixtrans-63.1-33.8-179.667.5-88.8000112.6G32 I58 E64 Y65G32-W61 VanDerWaalsContact CA-CZ2 3.48Å; I58-W61 PolarHBondContact O-NE1 3.04Å; W61-E64 PolarHBondContact O-N 2.73Å; W61-Y65 WeakPolarHBondContact O-CB 3.47Å; W61-Y65 PolarHBondContact O-N 3Å
62K68.9Low64.6Low100 Ų100108.1 Ų108.144%0.43556%0.556SS.*Hα-helixtrans-62.9-44.8175.6-178.9178.1179.7177.10111.2G60 E66G60-K62 VanDerWaalsContact C-N 3.29Å; G60-K62 PolarHBondContact O-N 3.33Å; K62-E66 WeakPolarHBondContact O-CB 3.16Å; K62-E66 WeakPolarHBondContact O-CG 3.43Å; K62-E66 PolarHBondContact O-N 3.16Å
63R70.7Confident65.8Low188 Ų188106.3 Ų106.371%0.70954%0.54SS*.Hα-helixtrans-65.3-43.3177.3-173178.9-179.7-176.5-0.4110.8S59 G60 E66 V67S59-R63 PolarHBondContact O-N 3.37Å; G60-R63 PolarHBondContact O-N 2.83Å; G60-R63 VanDerWaalsContact O-N 3.16Å; R63-E66 PolarHBondContact O-N 3.16Å; R63-V67 WeakPolarHBondContact O-CB 3.37Å; R63-V67 WeakPolarHBondContact O-CG2 3.47Å; R63-V67 PolarHBondContact O-N 3.32Å
64E77.3Confident67Low143 Ų143103.9 Ų103.967%0.66853%0.53SS*.Hα-helixtrans-64.5-43.8178.6-166.6167.3-161.700112.1G60 W61 V67 Q68G60-E64 PolarHBondContact O-N 3.47Å; W61-E64 PolarHBondContact O-N 2.73Å; E64-V67 PolarHBondContact O-N 3.49Å; E64-Q68 WeakPolarHBondContact O-CB 3.44Å; E64-Q68 PolarHBondContact O-N 3.47Å
65Y77.8Confident68Low115 Ų115104.9 Ų104.945%0.45154%0.536SS..Hα-helixtrans-62.3-43.6174.6-177.4-104.8000112.2W61 R69W61-Y65 WeakPolarHBondContact O-CB 3.47Å; W61-Y65 PolarHBondContact O-N 3Å; Y65-R69 WeakPolarHBondContact O-CB 3.21Å; Y65-R69 PolarHBondContact O-N 3.16Å
66E75.5Confident68.6Low93 Ų93102.5 Ų102.544%0.43553%0.531SS..Hα-helixtrans-63.7-40.4174.9-76.6-176.1173.900112.1K62 R63 N70K62-E66 WeakPolarHBondContact O-CB 3.16Å; K62-E66 WeakPolarHBondContact O-CG 3.43Å; K62-E66 PolarHBondContact O-N 3.16Å; R63-E66 PolarHBondContact O-N 3.16Å; E66-N70 VanDerWaalsContact O-CB 3.3Å; E66-N70 WeakPolarHBondContact O-CB 3.21Å; E66-N70 PolarHBondContact O-N 3.46Å; E66-N70 PolarHBondContact O-ND2 3.24Å; E66-N70 VanDerWaalsContact O-ND2 3.11Å
67V80.9Confident69.3Low92 Ų92103 Ų10356%0.55853%0.527SS*.Hα-helixtrans-64.5-49.1176.3168.30000111R63 E64 R69 N70 A71R63-V67 WeakPolarHBondContact O-CB 3.37Å; R63-V67 WeakPolarHBondContact O-CG2 3.47Å; R63-V67 PolarHBondContact O-N 3.32Å; E64-V67 PolarHBondContact O-N 3.49Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 2.67Å; V67-N70 PolarHBondContact O-N 3.14Å; V67-A71 WeakPolarHBondContact O-CB 3.35Å; V67-A71 PolarHBondContact O-N 3.5Å
68Q80.8Confident70.2Confident130 Ų130100.2 Ų100.261%0.60752%0.516SS*.Hα-helixtrans-60.9-45.3178.1-170.5-179.717.200110.9E64 N70 A71 T72E64-Q68 WeakPolarHBondContact O-CB 3.44Å; E64-Q68 PolarHBondContact O-N 3.47Å; Q68-N70 PolarHBondContact O-N 3.45Å; Q68-A71 WeakPolarHBondContact O-CB 3.43Å; Q68-A71 PolarHBondContact O-N 2.94Å; Q68-T72 WeakPolarHBondContact O-CG2 3.45Å; Q68-T72 PolarHBondContact O-N 2.91Å; Q68-T72 VanDerWaalsContact O-N 3.14Å
69R72.4Confident71.2Confident55 Ų55106.1 Ų106.121%0.20853%0.533CS..Hα-helixtrans-60.4-47.6175.7-178.6-176.2167.5179.23.4111.7W22 M23 K24 Y65 V67 A71 T72 I73W22-R69 PolarHBondContact O-NH2 2.68Å; M23-R69 PolarHBondContact O-NH2 2.87Å; K24-R69 VanDerWaalsContact N-NH2 3.1Å; Y65-R69 WeakPolarHBondContact O-CB 3.21Å; Y65-R69 PolarHBondContact O-N 3.16Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 2.67Å; R69-A71 VanDerWaalsContact C-N 3.25Å; R69-A71 PolarHBondContact O-N 2.84Å; R69-T72 PolarHBondContact O-N 3.32Å; R69-T72 VanDerWaalsContact O-N 3.07Å; R69-T72 PolarHBondContact O-OG1 2.87Å; R69-I73 PolarHBondContact O-N 2.88Å
70N73.3Confident71.8Confident104 Ų104108.9 Ų108.956%0.55654%0.543SS*.Hα-helixtrans-62.8-33.3178.6-72.9-26.8000112.2E66 V67 Q68 T72 I73E66-N70 VanDerWaalsContact O-CB 3.3Å; E66-N70 WeakPolarHBondContact O-CB 3.21Å; E66-N70 PolarHBondContact O-N 3.46Å; E66-N70 PolarHBondContact O-ND2 3.24Å; E66-N70 VanDerWaalsContact O-ND2 3.11Å; V67-N70 PolarHBondContact O-N 3.14Å; Q68-N70 PolarHBondContact O-N 3.45Å; N70-T72 VanDerWaalsContact C-N 3.31Å; N70-T72 PolarHBondContact O-N 3.11Å; N70-I73 PolarHBondContact O-N 2.93Å
71A77.9Confident72Confident86 Ų86110.4 Ų110.471%0.71154%0.54SS*.Hα-helixtrans-67.4-28.8174.100000113V67 Q68 R69V67-A71 WeakPolarHBondContact O-CB 3.35Å; V67-A71 PolarHBondContact O-N 3.5Å; Q68-A71 WeakPolarHBondContact O-CB 3.43Å; Q68-A71 PolarHBondContact O-N 2.94Å; R69-A71 VanDerWaalsContact C-N 3.25Å; R69-A71 PolarHBondContact O-N 2.84Å
72T74Confident72.3Confident76 Ų76111.1 Ų111.147%0.46655%0.546SS..Hα-helixtrans-79.9-14176.265.40000114.5Q68 R69 N70 P74Q68-T72 WeakPolarHBondContact O-CG2 3.45Å; Q68-T72 PolarHBondContact O-N 2.91Å; Q68-T72 VanDerWaalsContact O-N 3.14Å; R69-T72 PolarHBondContact O-N 3.32Å; R69-T72 VanDerWaalsContact O-N 3.07Å; R69-T72 PolarHBondContact O-OG1 2.87Å; N70-T72 VanDerWaalsContact C-N 3.31Å; N70-T72 PolarHBondContact O-N 3.11Å; T72-P74 WeakPolarHBondContact O-CD 3.35Å
73I70.4Confident72.9Confident63 Ų63110.6 Ų110.632%0.32355%0.548SS..SBendtrans-78.2115.2178.9-62.5169.6000107.3R69 N70 N75R69-I73 PolarHBondContact O-N 2.88Å; N70-I73 PolarHBondContact O-N 2.93Å; I73-N75 PolarHBondContact O-N 3.26Å
74P67.5Low73.2Confident60 Ų60103.6 Ų103.639%0.3953%0.528SS..  trans-58129.7175.623.6-31.1000108.2W22 T72 L76W22-P74 HydrophobicContact CH2-CG 3.83Å; W22-P74 HydrophobicContact CZ2-CG 3.69Å; T72-P74 WeakPolarHBondContact O-CD 3.35Å; P74-L76 HydrophobicContact CB-CD2 4.36Å; P74-L76 HydrophobicContact CB-CG 4.3Å; P74-L76 HydrophobicContact CG-CD1 4.44Å; P74-L76 HydrophobicContact CG-CD2 4.42Å; P74-L76 HydrophobicContact CG-CG 4.16Å; P74-L76 PolarHBondContact O-N 3.41Å
75N66.6Low73.3Confident146 Ų146102.9 Ų102.978%0.78152%0.522SS*.  trans-74.273.1179.9-148.6-2.6000108.5I73 F77I73-N75 PolarHBondContact O-N 3.26Å; N75-F77 PolarHBondContact O-N 2.96Å; N75-F77 VanDerWaalsContact O-N 3.11Å
76L61.8Low73.4Confident127 Ų127100.3 Ų100.367%0.66552%0.515SS*.  trans-64.6-14-176.2-68.3171.1000112.1W22 P74W22-L76 HydrophobicContact CZ3-CD1 4.39Å; P74-L76 HydrophobicContact CB-CD2 4.36Å; P74-L76 HydrophobicContact CB-CG 4.3Å; P74-L76 HydrophobicContact CG-CD1 4.44Å; P74-L76 HydrophobicContact CG-CD2 4.42Å; P74-L76 HydrophobicContact CG-CG 4.16Å; P74-L76 PolarHBondContact O-N 3.41Å
77F60.6Low73.6Confident134 Ų13497.7 Ų97.759%0.58851%0.509SS*.SBendtrans-94.4111.3169.1-60.1-72.5000108.9N75 R79 L81N75-F77 PolarHBondContact O-N 2.96Å; N75-F77 VanDerWaalsContact O-N 3.11Å; F77-R79 PolarHBondContact O-N 2.81Å; F77-L81 HydrophobicContact CD1-CB 4.46Å
78T67.3Low73.4Confident85 Ų8598 Ų9852%0.52150%0.504SS..  trans-52.2141.616243.20000108.7N80 L81 K82T78-N80 PolarHBondContact O-N 3.33Å; T78-L81 WeakPolarHBondContact O-CB 3.31Å; T78-L81 PolarHBondContact O-N 3.08Å; T78-L81 WeakPolarHBondContact OG1-CD1 3.3Å; T78-L81 WeakPolarHBondContact OG1-CG 3.33Å; T78-K82 PolarHBondContact O-N 3.26Å
79R74.1Confident73.1Confident208 Ų20896.8 Ų96.879%0.78550%0.499SS*.Hα-helixtrans-44.6-36175.8-175178-178.6160.3-0.4111.8F77 K82 L83F77-R79 PolarHBondContact O-N 2.81Å; R79-K82 PolarHBondContact O-N 3.46Å; R79-L83 HydrophobicContact CG-CD1 4.12Å; R79-L83 VanDerWaalsContact O-CG 3.31Å; R79-L83 WeakPolarHBondContact O-CG 3.26Å; R79-L83 PolarHBondContact O-N 2.84Å; R79-L83 VanDerWaalsContact O-N 3.08Å
80N73Confident73.1Confident122 Ų122102.5 Ų102.565%0.65252%0.52SS*.Hα-helixtrans-63.4-42.1177.3-61-13.7000113.6T78 L83 S84T78-N80 PolarHBondContact O-N 3.33Å; N80-L83 PolarHBondContact O-N 3.27Å; N80-S84 WeakPolarHBondContact O-CB 3.21Å; N80-S84 PolarHBondContact O-N 3.49Å
81L71.8Confident73Confident75 Ų75104 Ų10439%0.39353%0.528SS..Hα-helixtrans-66.2-39.8177-81.7167.9000112F77 T78 S84 K85F77-L81 HydrophobicContact CD1-CB 4.46Å; T78-L81 WeakPolarHBondContact O-CB 3.31Å; T78-L81 PolarHBondContact O-N 3.08Å; T78-L81 WeakPolarHBondContact OG1-CD1 3.3Å; T78-L81 WeakPolarHBondContact OG1-CG 3.33Å; L81-S84 PolarHBondContact O-N 3.49Å; L81-K85 WeakPolarHBondContact O-CB 3.46Å; L81-K85 PolarHBondContact O-N 3.06Å
82K76.5Confident72.4Confident132 Ų132104 Ų10457%0.57452%0.515SS*.Hα-helixtrans-61.7-49.7175.5-176.2-179.9175.2-176.50110.8T78 R79 S84 K85 E86T78-K82 PolarHBondContact O-N 3.26Å; R79-K82 PolarHBondContact O-N 3.46Å; K82-S84 PolarHBondContact O-N 3.19Å; K82-K85 PolarHBondContact O-N 2.79Å; K82-E86 WeakPolarHBondContact CE-OE1 3.45Å; K82-E86 WeakPolarHBondContact O-CG 3.15Å; K82-E86 PolarHBondContact O-N 3.02Å
83L81.5Confident71.9Confident89 Ų89102.8 Ų102.847%0.46652%0.518SS..Hα-helixtrans-62-41.5178.6-69.8171.1000112.2R79 N80 K85 E86 A87R79-L83 HydrophobicContact CG-CD1 4.12Å; R79-L83 VanDerWaalsContact O-CG 3.31Å; R79-L83 WeakPolarHBondContact O-CG 3.26Å; R79-L83 PolarHBondContact O-N 2.84Å; R79-L83 VanDerWaalsContact O-N 3.08Å; N80-L83 PolarHBondContact O-N 3.27Å; L83-K85 PolarHBondContact O-N 3.1Å; L83-E86 PolarHBondContact O-N 2.95Å; L83-A87 WeakPolarHBondContact O-CB 3.41Å; L83-A87 PolarHBondContact O-N 2.81Å
84S76.6Confident71.1Confident41 Ų41106 Ų10629%0.28754%0.544SS..Hα-helixtrans-60.9-43.2175.9-179.70000112.3N80 L81 K82 A87 Q88N80-S84 WeakPolarHBondContact O-CB 3.21Å; N80-S84 PolarHBondContact O-N 3.49Å; L81-S84 PolarHBondContact O-N 3.49Å; K82-S84 PolarHBondContact O-N 3.19Å; S84-A87 PolarHBondContact O-N 3Å; S84-Q88 WeakPolarHBondContact O-CG 3.36Å; S84-Q88 PolarHBondContact O-N 3.1Å
85K79.5Confident70.5Confident128 Ų128106.4 Ų106.456%0.55756%0.558SS**Hα-helixtrans-68.1-39.5178.6-166.8176.7-177.1177.70112.3L81 K82 L83 Q88 Q89L81-K85 WeakPolarHBondContact O-CB 3.46Å; L81-K85 PolarHBondContact O-N 3.06Å; K82-K85 PolarHBondContact O-N 2.79Å; L83-K85 PolarHBondContact O-N 3.1Å; K85-Q88 PolarHBondContact O-N 3.21Å; K85-Q89 WeakPolarHBondContact O-CG 3.26Å; K85-Q89 PolarHBondContact O-N 2.64Å
86E79.6Confident69.7Low61 Ų61106.9 Ų106.929%0.28555%0.549SS..Hα-helixtrans-64.3-43.1173.1-73.1178.1-166.500111.5K82 L83 Q89 R90K82-E86 WeakPolarHBondContact CE-OE1 3.45Å; K82-E86 WeakPolarHBondContact O-CG 3.15Å; K82-E86 PolarHBondContact O-N 3.02Å; L83-E86 PolarHBondContact O-N 2.95Å; E86-Q89 PolarHBondContact O-N 3.19Å; E86-R90 WeakPolarHBondContact O-CG 3.2Å; E86-R90 PolarHBondContact O-N 3.5Å; E86-R90 IonicContact OE2-NH1 3.98Å; E86-R90 IonicContact OE2-NH2 3.73Å
87A79.7Confident69.1Low38 Ų38110 Ų11031%0.31455%0.553SS.*Hα-helixtrans-63.1-41.6175.100000112.1L83 S84 Q89 R90 N91L83-A87 WeakPolarHBondContact O-CB 3.41Å; L83-A87 PolarHBondContact O-N 2.81Å; S84-A87 PolarHBondContact O-N 3Å; A87-Q89 VanDerWaalsContact C-N 3.3Å; A87-Q89 PolarHBondContact O-N 3.36Å; A87-R90 PolarHBondContact O-N 2.88Å; A87-N91 WeakPolarHBondContact O-CB 3.21Å; A87-N91 PolarHBondContact O-N 2.89Å; A87-N91 PolarHBondContact O-ND2 3.27Å
88Q77.1Confident69Low98 Ų98111.7 Ų111.746%0.45857%0.568SS.*Hα-helixtrans-60.2-39.8171.9-80.8-177-37.900112.1S84 K85 R90 N91 L92S84-Q88 WeakPolarHBondContact O-CG 3.36Å; S84-Q88 PolarHBondContact O-N 3.1Å; K85-Q88 PolarHBondContact O-N 3.21Å; Q88-R90 VanDerWaalsContact C-N 3.35Å; Q88-N91 PolarHBondContact O-N 3.38Å; Q88-L92 VanDerWaalsContact O-CD1 3.24Å; Q88-L92 WeakPolarHBondContact O-CD1 3.36Å; Q88-L92 VanDerWaalsContact O-CG 3.26Å; Q88-L92 WeakPolarHBondContact O-CG 3.28Å; Q88-L92 PolarHBondContact O-N 3.07Å
89Q73.2Confident68.3Low105 Ų105112.5 Ų112.549%0.49157%0.569SS.*Hα-helixtrans-65.9-36.3176.8-75.3-176.68.500113K85 E86 A87K85-Q89 WeakPolarHBondContact O-CG 3.26Å; K85-Q89 PolarHBondContact O-N 2.64Å; E86-Q89 PolarHBondContact O-N 3.19Å; A87-Q89 VanDerWaalsContact C-N 3.3Å; A87-Q89 PolarHBondContact O-N 3.36Å
90R72.2Confident66.9Low175 Ų175105.7 Ų105.766%0.6655%0.553SS**Hα-helixtrans-70.7-35.3174-68-177.1-172.4104.24.1112.6E86 A87 Q88 L92E86-R90 WeakPolarHBondContact O-CG 3.2Å; E86-R90 PolarHBondContact O-N 3.5Å; E86-R90 IonicContact OE2-NH1 3.98Å; E86-R90 IonicContact OE2-NH2 3.73Å; A87-R90 PolarHBondContact O-N 2.88Å; Q88-R90 VanDerWaalsContact C-N 3.35Å; R90-L92 VanDerWaalsContact C-N 3.3Å; R90-L92 PolarHBondContact O-N 3.36Å
91N71.3Confident65.6Low136 Ų136110.2 Ų110.273%0.72756%0.561SS**THydrogen-bonded Turntrans-84.91.3-179-65.9-11.8000113.9A87 Q88 G93A87-N91 WeakPolarHBondContact O-CB 3.21Å; A87-N91 PolarHBondContact O-N 2.89Å; A87-N91 PolarHBondContact O-ND2 3.27Å; Q88-N91 PolarHBondContact O-N 3.38Å; N91-G93 PolarHBondContact O-N 3.48Å
92L66.1Low64.4Low84 Ų84114 Ų11444%0.4458%0.577SS.*SBendtrans-73.3121.7168.7-76.9149000106.9Q88 R90Q88-L92 VanDerWaalsContact O-CD1 3.24Å; Q88-L92 WeakPolarHBondContact O-CD1 3.36Å; Q88-L92 VanDerWaalsContact O-CG 3.26Å; Q88-L92 WeakPolarHBondContact O-CG 3.28Å; Q88-L92 PolarHBondContact O-N 3.07Å; R90-L92 VanDerWaalsContact C-N 3.3Å; R90-L92 PolarHBondContact O-N 3.36Å
93G63Low63Low51 Ų51113.9 Ų113.953%0.52658%0.58SS.*  trans-52.9175.5-17400000114.2N91 G95N91-G93 PolarHBondContact O-N 3.48Å; G93-G95 PolarHBondContact O-N 2.93Å
94P54.8Low61.6Low132 Ų132116.4 Ų116.486%0.85759%0.59SS**SBendtrans-63.312.7-159.723.9-34.5000117.8
95G54.2Low60.3Low67 Ų67119.7 Ų119.769%0.69161%0.608SS**  trans-93.920-177.400000116.4G93G93-G95 PolarHBondContact O-N 2.93Å
96R49.8Very low58.6Low157 Ų157122.4 Ų122.459%0.59262%0.62SS**  trans-105.975.6-179.5-72.6-172.4164.2-147.4-10.2112.3
97Y50.1Low56.7Low192 Ų192122.1 Ų122.175%0.75363%0.633SS**  trans-78.3122.7162.5-57.7-77.6000108.9L99Y97-L99 VanDerWaalsContact C-N 3.25Å; Y97-L99 PolarHBondContact O-N 3.11Å
98N57.3Low54.6Low170 Ų170126.4 Ų126.491%0.90966%0.655SS**  trans-64.892.8160-92.3-23.9000107S100N98-S100 PolarHBondContact O-N 3.5Å; N98-S100 VanDerWaalsContact O-N 3.1Å
99L51.9Low52.8Low101 Ų101124.8 Ų124.853%0.52966%0.655SS.*  trans-65111.3169.4-69.5168.5000107.1Y97 R101 M103Y97-L99 VanDerWaalsContact C-N 3.25Å; Y97-L99 PolarHBondContact O-N 3.11Å; L99-R101 PolarHBondContact O-N 2.92Å; L99-M103 HydrophobicContact CD2-CE 3.9Å
100S44.8Very low51.6Low66 Ų66128.2 Ų128.246%0.46267%0.671SS.*  trans-56.4136.6169.554.90000108.2N98 E102 M103N98-S100 PolarHBondContact O-N 3.5Å; N98-S100 VanDerWaalsContact O-N 3.1Å; S100-E102 PolarHBondContact O-N 3.24Å; S100-M103 PolarHBondContact O-N 3.2Å
101R45.9Very low50.2Low217 Ų217129.4 Ų129.482%0.81968%0.681SS**Hα-helixtrans-55.4-20.3-179.3-178.1173-81-132.8-2.3112.6L99 M103 Q104L99-R101 PolarHBondContact O-N 2.92Å; R101-M103 VanDerWaalsContact C-N 3.29Å; R101-M103 PolarHBondContact O-N 3.37Å; R101-Q104 PolarHBondContact O-N 3.22Å
102E47.7Very low48.8Very low153 Ų153129.4 Ų129.472%0.71568%0.68SS**Hα-helixtrans-64-26.1175.4-65.2174.9175.900114.1S100 T105S100-E102 PolarHBondContact O-N 3.24Å; E102-T105 PolarHBondContact O-OG1 3.06Å
103M47.7Very low47.8Very low131 Ų131127.6 Ų127.665%0.64568%0.681SS**Hα-helixtrans-82.3-22.1178.6-122.2173.380.200113.1L99 S100 R101L99-M103 HydrophobicContact CD2-CE 3.9Å; S100-M103 PolarHBondContact O-N 3.2Å; R101-M103 VanDerWaalsContact C-N 3.29Å; R101-M103 PolarHBondContact O-N 3.37Å
104Q50.6Low47.3Very low142 Ų142131.8 Ų131.866%0.66470%0.7SS**Hα-helixtrans-85.4-15.8178.9-71.3-178.49.700113.3R101R101-Q104 PolarHBondContact O-N 3.22Å
105T49.7Very low47.1Very low110 Ų110132 Ų13268%0.67569%0.692SS**SBendtrans-89.1-5.1177.948.20000113.9E102 G107E102-T105 PolarHBondContact O-OG1 3.06Å; T105-G107 PolarHBondContact O-N 3Å
106K43.2Very low46.8Very low184 Ų184135.4 Ų135.480%0.869%0.694SS**SBendtrans-79.869.6165.9-67.3-172-179.6-177.60108.9T108K106-T108 PolarHBondContact O-N 2.89Å
107G39.8Very low46.7Very low55 Ų55132.9 Ų132.957%0.56770%0.697SS**  trans-61.5127.3178.500000111.7T105 S109T105-G107 PolarHBondContact O-N 3Å; G107-S109 PolarHBondContact O-N 3.44Å
108T37.3Very low46.6Very low128 Ų128130 Ų13079%0.78570%0.699SS**  trans10.192.514455.10000115.1K106 E110K106-T108 PolarHBondContact O-N 2.89Å; T108-E110 PolarHBondContact O-N 3.39Å
109S38.3Very low46.3Very low64 Ų64126.3 Ų126.345%0.44869%0.687SS.*  trans-79.4101.3165.5160.50000109.4G107 F111 I112G107-S109 PolarHBondContact O-N 3.44Å; S109-F111 PolarHBondContact O-N 3.42Å; S109-F111 PolarHBondContact OG-N 2.97Å; S109-I112 WeakPolarHBondContact OG-CB 3.44Å; S109-I112 WeakPolarHBondContact OG-CD1 3.45Å; S109-I112 WeakPolarHBondContact OG-CG1 3.29Å; S109-I112 PolarHBondContact OG-N 3.13Å
110E49.1Very low46.3Very low177 Ų177126 Ų12683%0.82770%0.698SS**THydrogen-bonded Turntrans-77.812.1165.8-64.8178172.500112.3T108T108-E110 PolarHBondContact O-N 3.39Å
111F41.9Very low46.4Very low200 Ų200133 Ų13388%0.87771%0.714SS**THydrogen-bonded Turntrans-126.113.2-174.5-81.6-83.4000115.6S109S109-F111 PolarHBondContact O-N 3.42Å; S109-F111 PolarHBondContact OG-N 2.97Å
112I41Very low46.7Very low137 Ų137131 Ų13170%0.70371%0.712SS**  trans-100.9108.9-178.8-74.5162.3000110.5S109S109-I112 WeakPolarHBondContact OG-CB 3.44Å; S109-I112 WeakPolarHBondContact OG-CD1 3.45Å; S109-I112 WeakPolarHBondContact OG-CG1 3.29Å; S109-I112 PolarHBondContact OG-N 3.13Å
113G45.1Very low47.3Very low45 Ų45129 Ų12946%0.46472%0.715SS.*  trans-78.3170.2160.300000112I115G113-I115 PolarHBondContact O-N 2.94Å
114P52.6Low47.7Very low140 Ų140131.8 Ų131.891%0.90973%0.726SS**SBendtrans-68.22.6-17325.7-33.7000116
115I51.9Low47.9Very low137 Ų137132.6 Ų132.670%0.70374%0.735SS**  trans-126.1112.7-176.5-57.4175.2000109G113 T117G113-I115 PolarHBondContact O-N 2.94Å; I115-T117 HydrophobicContact CG2-CG2 4.26Å; I115-T117 PolarHBondContact O-N 3.02Å
116N46.3Very low48Very low137 Ų137138.6 Ų138.673%0.73375%0.745SS**  trans-89.585.4-174.4-160.411.9000110.4T118N116-T118 VanDerWaalsContact OD1-CG2 3.24Å; N116-T118 WeakPolarHBondContact OD1-CG2 3.15Å
117T48.3Very low48.6Very low105 Ų105132.5 Ų132.564%0.64473%0.734SS**  trans-102.887.3168.957.50000109.7I115 S119I115-T117 HydrophobicContact CG2-CG2 4.26Å; I115-T117 PolarHBondContact O-N 3.02Å; T117-S119 PolarHBondContact O-N 2.81Å; T117-S119 VanDerWaalsContact O-N 3.15Å
118T47.9Very low49.3Very low130 Ų130136.7 Ų136.780%0.79874%0.744SS**  trans-81.834.9-179.244.90000114.2N116N116-T118 VanDerWaalsContact OD1-CG2 3.24Å; N116-T118 WeakPolarHBondContact OD1-CG2 3.15Å
119S52.3Low50.2Low94 Ų94138 Ų13866%0.65775%0.746SS**  trans-104.9125.6170.965.60000111.1T117 R121T117-S119 PolarHBondContact O-N 2.81Å; T117-S119 VanDerWaalsContact O-N 3.15Å; S119-R121 PolarHBondContact O-N 3.24Å
120A50.2Low51.3Low93 Ų93140.4 Ų140.477%0.76976%0.758SS**  trans-62.7106.4169.900000108.3F122A120-F122 PolarHBondContact O-N 2.74Å
121R47.8Very low51.8Low213 Ų213137.3 Ų137.380%0.80475%0.754SS**SBendtrans-68.7-17.8-176.9-156.3-175-80.4-159.9-1.7112.6S119S119-R121 PolarHBondContact O-N 3.24Å
122F52.3Low52.6Low177 Ų177129.8 Ų129.878%0.77673%0.732SS**SBendtrans-140.5125.6175.7-60.8-77.2000109.2A120A120-F122 PolarHBondContact O-N 2.74Å
123S59.8Low53.7Low109 Ų109130 Ų13076%0.76274%0.74SS**  trans-67.6129.116752.20000108.8L125S123-L125 PolarHBondContact O-N 3.09Å; S123-L125 VanDerWaalsContact O-N 3.12Å
124E56.7Low54.6Low191 Ų191129.6 Ų129.689%0.89374%0.735SS**  trans-48.3118.9176-70.7176.3166.900110.8R126E124-R126 PolarHBondContact O-N 3.08Å
125L55.1Low55Low159 Ų159126.9 Ų126.983%0.83272%0.716SS**  trans-63.7114.8176.3-153.577000107.4S123 G127S123-L125 PolarHBondContact O-N 3.09Å; S123-L125 VanDerWaalsContact O-N 3.12Å; L125-G127 PolarHBondContact O-N 3.49Å
126R51.2Low55.5Low235 Ų235126.6 Ų126.689%0.88771%0.707SS**  trans-49.8136.5171.1-80.1-177.4174.1-163.7-1.6109.7E124 N128E124-R126 PolarHBondContact O-N 3.08Å; R126-N128 PolarHBondContact O-N 2.8Å
127G55.7Low56.4Low57 Ų57122 Ų12259%0.58869%0.692SS**  trans-47.1128.7-169.800000114.9L125 D129L125-G127 PolarHBondContact O-N 3.49Å; G127-D129 PolarHBondContact O-N 2.99Å
128N55.3Low57.5Low143 Ų143120.3 Ų120.377%0.76568%0.678SS**  trans-85.499.3155.7-83.1-13.8000107.2R126 T130R126-N128 PolarHBondContact O-N 2.8Å; N128-T130 PolarHBondContact O-N 3.47Å
129D54.9Low58.9Low155 Ų155125.9 Ų125.983%0.82968%0.684SS**  trans-75.854.3-178.3-69-33.1000113G127G127-D129 PolarHBondContact O-N 2.99Å
130T61.2Low59.8Low114 Ų114122.7 Ų122.770%0.69967%0.666SS**  trans-137.5104.3165.6410000109N128 G132N128-T130 PolarHBondContact O-N 3.47Å; T130-G132 PolarHBondContact O-N 3.46Å
131P60.4Low60.9Low113 Ų113122.5 Ų122.573%0.73465%0.652SS**  trans-65107.7172.926.8-31.2000108.1T135P131-T135 WeakPolarHBondContact CA-OG1 3Å; P131-T135 WeakPolarHBondContact CB-OG1 3.49Å
132G59Low62.2Low41 Ų41115.4 Ų115.442%0.42363%0.634SS.*  trans-59.6149.9167.200000110.1T130 G134 T135T130-G132 PolarHBondContact O-N 3.46Å; G132-G134 PolarHBondContact O-N 3.35Å; G132-T135 PolarHBondContact O-N 3.35Å; G132-T135 PolarHBondContact O-OG1 3.2Å
133V65Low63.5Low143 Ų143114.5 Ų114.587%0.86763%0.626SS**THydrogen-bonded Turntrans-50.4122.4169.7-90.90000109.3
134G63.6Low64.6Low35 Ų35111.9 Ų111.936%0.36160%0.604SS.*THydrogen-bonded Turntrans99.16.1-175.200000116G132 Y136 G140G132-G134 PolarHBondContact O-N 3.35Å; G134-Y136 VanDerWaalsContact N-CE1 3.31Å; G134-Y136 PolarHBondContact N-OH 2.92Å; G134-G140 CarbonylContact O-C 3.56Å; G134-G140 WeakPolarHBondContact O-CA 3.43Å
135T60.4Low65.6Low83 Ų83109 Ų10951%0.50959%0.586SS.*  trans-92.6-4.2171.954.70000114P131 G132P131-T135 WeakPolarHBondContact CA-OG1 3Å; P131-T135 WeakPolarHBondContact CB-OG1 3.49Å; G132-T135 PolarHBondContact O-N 3.35Å; G132-T135 PolarHBondContact O-OG1 3.2Å
136Y61.8Low66.8Low132 Ų132107.6 Ų107.652%0.51857%0.573SS.*SBendtrans-79129.6177.533.5-95.7000111.6G134 G140 P142G134-Y136 VanDerWaalsContact N-CE1 3.31Å; G134-Y136 PolarHBondContact N-OH 2.92Å; Y136-G140 CarbonylContact O-C 3.58Å; Y136-P142 HydrophobicContact CD2-CB 4.17Å; Y136-P142 HydrophobicContact CD2-CG 4.29Å; Y136-P142 HydrophobicContact CE2-CG 4.47Å
137G66.2Low68.3Low40 Ų40102.3 Ų102.341%0.41256%0.558SS.*SBendtrans102.9173.2-177.800000113.4R139 G140 D141G137-R139 PolarHBondContact O-N 2.92Å; G137-G140 PolarHBondContact O-N 3.1Å; G137-D141 WeakPolarHBondContact CA-O 3.49Å
138I71.1Confident69.6Low70 Ų70102.9 Ų102.936%0.35955%0.55SS.*BIsolated β-bridgetrans-69.2119.4176.8-60.3172.7000106.8G140 D141 L144 Y145 V148I138-G140 PolarHBondContact O-N 3.34Å; I138-D141 PolarHBondContact O-N 3.11Å; I138-L144 HydrophobicContact CB-CB 4.3Å; I138-L144 HydrophobicContact CB-CD2 3.89Å; I138-L144 HydrophobicContact CB-CG 4.29Å; I138-L144 HydrophobicContact CG2-CD2 3.79Å; I138-L144 WeakPolarHBondContact O-CD2 3.45Å; I138-Y145 HydrophobicContact CD1-CD2 4.1Å; I138-Y145 HydrophobicContact CG1-CD2 4.41Å; I138-V148 HydrophobicContact CD1-CG2 4.35Å
139R76Confident70.6Confident246 Ų24698.5 Ų98.593%0.92853%0.525SS*.THydrogen-bonded Turntrans59.925.2-177.9-62.3178.4167.2-176.3-4.4115.2G137G137-R139 PolarHBondContact O-N 2.92Å
140G71.5Confident71.6Confident27 Ų2795.1 Ų95.128%0.27851%0.507SS..THydrogen-bonded Turntrans87.37.2177.400000115.3G134 Y136 G137 I138G134-G140 CarbonylContact O-C 3.56Å; G134-G140 WeakPolarHBondContact O-CA 3.43Å; Y136-G140 CarbonylContact O-C 3.58Å; G137-G140 PolarHBondContact O-N 3.1Å; I138-G140 PolarHBondContact O-N 3.34Å
141D74.6Confident72.2Confident89 Ų8992.1 Ų92.148%0.47649%0.494SS..BIsolated β-bridgetrans-110.3111.9177-147.7-13.7000110.1G137 I138 Y143 L144G137-D141 WeakPolarHBondContact CA-O 3.49Å; I138-D141 PolarHBondContact O-N 3.11Å; D141-Y143 PolarHBondContact O-N 2.79Å; D141-L144 HydrophobicContact CB-CB 4.18Å; D141-L144 PolarHBondContact O-N 2.95Å
142P73.8Confident72.6Confident64 Ų6493.5 Ų93.542%0.41649%0.489SS..THydrogen-bonded Turntrans-64.8-26-172.921.9-31.5000113.1Y136Y136-P142 HydrophobicContact CD2-CB 4.17Å; Y136-P142 HydrophobicContact CD2-CG 4.29Å; Y136-P142 HydrophobicContact CE2-CG 4.47Å
143Y81Confident72.9Confident158 Ų15898.1 Ų98.162%0.6250%0.499SS*.THydrogen-bonded Turntrans-83.2-22.5-177.3-64.1-74.3000113.6D141 Y145 K146 E147D141-Y143 PolarHBondContact O-N 2.79Å; Y143-Y145 PolarHBondContact O-N 3.29Å; Y143-K146 WeakPolarHBondContact O-CA 3.49Å; Y143-K146 WeakPolarHBondContact O-CB 3.06Å; Y143-K146 PolarHBondContact O-N 2.91Å; Y143-E147 PolarHBondContact O-N 3.46Å
144L82.7Confident72.6Confident54 Ų5497.4 Ų97.428%0.28348%0.484SS..Hα-helixtrans-62.5-33.7-174.1-166.466.6000112I138 D141 E147 V148I138-L144 HydrophobicContact CB-CB 4.3Å; I138-L144 HydrophobicContact CB-CD2 3.89Å; I138-L144 HydrophobicContact CB-CG 4.29Å; I138-L144 HydrophobicContact CG2-CD2 3.79Å; I138-L144 WeakPolarHBondContact O-CD2 3.45Å; D141-L144 HydrophobicContact CB-CB 4.18Å; D141-L144 PolarHBondContact O-N 2.95Å; L144-E147 PolarHBondContact O-N 3.46Å; L144-V148 VanDerWaalsContact O-CG2 3.26Å; L144-V148 WeakPolarHBondContact O-CG2 3.45Å; L144-V148 PolarHBondContact O-N 2.74Å
145Y76.9Confident72.2Confident132 Ų13299.1 Ų99.152%0.51849%0.491SS..Hα-helixtrans-62.5-43.6173.1-177.1-93.5000111.9I138 Y143 V148 M149I138-Y145 HydrophobicContact CD1-CD2 4.1Å; I138-Y145 HydrophobicContact CG1-CD2 4.41Å; Y143-Y145 PolarHBondContact O-N 3.29Å; Y145-V148 PolarHBondContact O-N 3.46Å; Y145-M149 HydrophobicContact CD1-CG 4.05Å; Y145-M149 HydrophobicContact CD2-CE 4.23Å; Y145-M149 HydrophobicContact CE1-CE 4.32Å; Y145-M149 HydrophobicContact CE1-CG 3.67Å; Y145-M149 HydrophobicContact CE2-CE 3.45Å; Y145-M149 VanDerWaalsContact CE2-CE 3.45Å; Y145-M149 HydrophobicContact CE2-CG 4.34Å; Y145-M149 WeakPolarHBondContact O-CB 3.31Å; Y145-M149 VanDerWaalsContact O-CG 3.29Å; Y145-M149 WeakPolarHBondContact O-CG 3.3Å; Y145-M149 PolarHBondContact O-N 3.29Å
146K80.8Confident71.8Confident129 Ų12999.3 Ų99.356%0.56150%0.495SS*.Hα-helixtrans-63.9-43.7177.7-174.6-177174.3-173.70110.7Y143 V148 M149 D150Y143-K146 WeakPolarHBondContact O-CA 3.49Å; Y143-K146 WeakPolarHBondContact O-CB 3.06Å; Y143-K146 PolarHBondContact O-N 2.91Å; K146-V148 PolarHBondContact O-N 3.29Å; K146-M149 PolarHBondContact O-N 2.95Å; K146-D150 VanDerWaalsContact O-CB 3.26Å; K146-D150 WeakPolarHBondContact O-CB 3.39Å; K146-D150 PolarHBondContact O-N 3.47Å
147E82.8Confident71.6Confident123 Ų12399 Ų9958%0.57551%0.511SS*.Hα-helixtrans-62.4-42.6177.7-68-175.5170.100112.8Y143 L144 D150 A151Y143-E147 PolarHBondContact O-N 3.46Å; L144-E147 PolarHBondContact O-N 3.46Å; E147-D150 PolarHBondContact O-N 3.16Å; E147-A151 VanDerWaalsContact O-CB 3.3Å; E147-A151 WeakPolarHBondContact O-CB 3.46Å; E147-A151 PolarHBondContact O-N 3.32Å
148V82Confident71.3Confident70 Ų70102.6 Ų102.642%0.42453%0.525SS..Hα-helixtrans-63.8-43.6176.1170.70000110.8I138 L144 Y145 K146 A151 K152I138-V148 HydrophobicContact CD1-CG2 4.35Å; L144-V148 VanDerWaalsContact O-CG2 3.26Å; L144-V148 WeakPolarHBondContact O-CG2 3.45Å; L144-V148 PolarHBondContact O-N 2.74Å; Y145-V148 PolarHBondContact O-N 3.46Å; K146-V148 PolarHBondContact O-N 3.29Å; V148-A151 PolarHBondContact O-N 2.94Å; V148-K152 WeakPolarHBondContact O-CB 3.26Å; V148-K152 PolarHBondContact O-N 3.2Å; V148-K152 VanDerWaalsContact O-N 3.07Å
149M76.2Confident70.7Confident50 Ų50103.2 Ų103.225%0.24653%0.525CS..Hα-helixtrans-68.6-42177.6-69.3-56160.300111.7Y145 K146 A151 K152 H153Y145-M149 HydrophobicContact CD1-CG 4.05Å; Y145-M149 HydrophobicContact CD2-CE 4.23Å; Y145-M149 HydrophobicContact CE1-CE 4.32Å; Y145-M149 HydrophobicContact CE1-CG 3.67Å; Y145-M149 HydrophobicContact CE2-CE 3.45Å; Y145-M149 VanDerWaalsContact CE2-CE 3.45Å; Y145-M149 HydrophobicContact CE2-CG 4.34Å; Y145-M149 WeakPolarHBondContact O-CB 3.31Å; Y145-M149 VanDerWaalsContact O-CG 3.29Å; Y145-M149 WeakPolarHBondContact O-CG 3.3Å; Y145-M149 PolarHBondContact O-N 3.29Å; K146-M149 PolarHBondContact O-N 2.95Å; M149-A151 VanDerWaalsContact C-N 3.34Å; M149-A151 PolarHBondContact O-N 3.41Å; M149-K152 CarbonylContact O-C 3.58Å; M149-K152 PolarHBondContact O-N 2.98Å; M149-H153 VanDerWaalsContact O-CB 3.28Å; M149-H153 WeakPolarHBondContact O-CB 3.47Å; M149-H153 PolarHBondContact O-CD2 3.04Å; M149-H153 PolarHBondContact O-N 3.23Å
150D77.5Confident69.8Low84 Ų8493.4 Ų93.445%0.44950%0.5SS..Hα-helixtrans-60.9-43.9175.4-75.5-15.1000110.2K146 E147 K152 H153 K154K146-D150 VanDerWaalsContact O-CB 3.26Å; K146-D150 WeakPolarHBondContact O-CB 3.39Å; K146-D150 PolarHBondContact O-N 3.47Å; E147-D150 PolarHBondContact O-N 3.16Å; D150-K152 VanDerWaalsContact C-N 3.3Å; D150-K152 PolarHBondContact O-N 3.17Å; D150-H153 CarbonylContact O-C 3.59Å; D150-H153 PolarHBondContact O-N 3.38Å; D150-K154 WeakPolarHBondContact O-CG 3.44Å; D150-K154 PolarHBondContact O-N 3.45Å
151A72.6Confident69.4Low51 Ų5199.4 Ų99.442%0.42153%0.525SS..Hα-helixtrans-60.5-37.6175.600000113.1E147 V148 M149E147-A151 VanDerWaalsContact O-CB 3.3Å; E147-A151 WeakPolarHBondContact O-CB 3.46Å; E147-A151 PolarHBondContact O-N 3.32Å; V148-A151 PolarHBondContact O-N 2.94Å; M149-A151 VanDerWaalsContact C-N 3.34Å; M149-A151 PolarHBondContact O-N 3.41Å
152K68.4Low68.8Low142 Ų142102 Ų10262%0.61754%0.537SS*.Hα-helixtrans-76.4-32.7178.2-167.5177.3-176178.70113V148 M149 D150V148-K152 WeakPolarHBondContact O-CB 3.26Å; V148-K152 PolarHBondContact O-N 3.2Å; V148-K152 VanDerWaalsContact O-N 3.07Å; M149-K152 CarbonylContact O-C 3.58Å; M149-K152 PolarHBondContact O-N 2.98Å; D150-K152 VanDerWaalsContact C-N 3.3Å; D150-K152 PolarHBondContact O-N 3.17Å
153H65.4Low68.1Low139 Ų139105.6 Ų105.664%0.64455%0.549SS*.Hα-helixtrans-101.76.1-176-69.8-68.2000114.2M149 D150 S155M149-H153 VanDerWaalsContact O-CB 3.28Å; M149-H153 WeakPolarHBondContact O-CB 3.47Å; M149-H153 PolarHBondContact O-CD2 3.04Å; M149-H153 PolarHBondContact O-N 3.23Å; D150-H153 CarbonylContact O-C 3.59Å; D150-H153 PolarHBondContact O-N 3.38Å; H153-S155 PolarHBondContact O-N 3.17Å
154K59Low66.9Low127 Ų127100.3 Ų100.355%0.55253%0.534SS*.  trans-52.7109.7170.4-67.6-163.7178.2172.60109D150D150-K154 WeakPolarHBondContact O-CG 3.44Å; D150-K154 PolarHBondContact O-N 3.45Å
155S54.8Low65.6Low72 Ų7299.3 Ų99.350%0.50354%0.537SS..  trans-57148.7-178.559.90000111H153 C157 T158H153-S155 PolarHBondContact O-N 3.17Å; S155-C157 PolarHBondContact O-N 3.43Å; S155-T158 PolarHBondContact O-N 3.22Å
156C53.2Low64.6Low87 Ų8795 Ų9559%0.58853%0.534SS*.THydrogen-bonded Turntrans-53.4-9.1-179-143.50000114.8
157C58.1Low63.5Low126 Ų12696 Ų9685%0.85155%0.545SS*.THydrogen-bonded Turntrans-81.8-16.8179.9-680000114.8S155S155-C157 PolarHBondContact O-N 3.43Å
158T59.4Low62.4Low115 Ų11591.5 Ų91.571%0.70653%0.531SS*.THydrogen-bonded Turntrans-110.6-17.9-176.6-21.50000113.8S155S155-T158 PolarHBondContact O-N 3.22Å
159K57.7Low61.3Low83 Ų8393 Ų9336%0.36155%0.545SS..SBendtrans-102.5136.4172-78.2178.7176.4177.90107.4E163 C164K159-E163 HydrophobicContact CB-CB 4.29Å; K159-C164 WeakPolarHBondContact CB-SG 3.35Å; K159-C164 PolarHBondContact O-SG 3.12Å
160G58Low60.4Low39 Ų3998.9 Ų98.940%0.40256%0.564SS.*  trans-55.6150.1177.800000110.8L162 E163 C164G160-L162 PolarHBondContact O-N 2.8Å; G160-E163 PolarHBondContact N-OE2 2.72Å; G160-E163 WeakPolarHBondContact O-CA 3.33Å; G160-E163 PolarHBondContact O-N 2.92Å; G160-C164 PolarHBondContact O-N 3.06Å; G160-C164 PolarHBondContact O-SG 3.18Å
161L62.6Low59.8Low154 Ų15499 Ų9981%0.80657%0.571SS**THydrogen-bonded Turntrans-48.9-30.9178.9-174.470.2000112.7
162L63Low59.4Low142 Ų142103.8 Ų103.874%0.74359%0.589SS**THydrogen-bonded Turntrans-81.9-26177-61.5176.7000114G160 R170G160-L162 PolarHBondContact O-N 2.8Å; L162-R170 PolarHBondContact O-NH1 2.87Å; L162-R170 VanDerWaalsContact O-NH1 3.14Å; L162-R170 PolarHBondContact O-NH2 3.43Å
163E58.4Low59.1Low141 Ų141101.9 Ų101.966%0.65959%0.592SS**THydrogen-bonded Turntrans-88.3-18.7178.6-72.6-178.2146.500113.6K159 G160 G165K159-E163 HydrophobicContact CB-CB 4.29Å; G160-E163 PolarHBondContact N-OE2 2.72Å; G160-E163 WeakPolarHBondContact O-CA 3.33Å; G160-E163 PolarHBondContact O-N 2.92Å; E163-G165 PolarHBondContact O-N 2.9Å
164C56.1Low58.9Low46 Ų46102.2 Ų102.231%0.31160%0.597SS.*  trans-68.417.5175.4-71.90000114.6K159 G160 G166K159-C164 WeakPolarHBondContact CB-SG 3.35Å; K159-C164 PolarHBondContact O-SG 3.12Å; G160-C164 PolarHBondContact O-N 3.06Å; G160-C164 PolarHBondContact O-SG 3.18Å; C164-G166 PolarHBondContact O-N 3.37Å
165G55.6Low58.8Low33 Ų33102.6 Ų102.634%0.3461%0.61SS.*  trans-76114.4171.500000110E163 R170E163-G165 PolarHBondContact O-N 2.9Å; G165-R170 VanDerWaalsContact N-NH2 3.19Å
166G54.9Low58.8Low43 Ų43101 Ų10144%0.44361%0.605SS.*  trans-51.5163.1174.100000113.1C164 G168C164-G166 PolarHBondContact O-N 3.37Å; G166-G168 PolarHBondContact O-N 3.15Å
167D57.2Low59.2Low149 Ų149102.3 Ų102.380%0.79761%0.614SS**SBendtrans-4618.2-175.4-54-28.7000118.7M1M1-D167 HydrophobicContact CE-CB 4.28Å
168G60.1Low59.4Low28 Ų28104 Ų10429%0.28961%0.609SS.*SBendtrans-89.6121.4167.400000108.4G166 R170G166-G168 PolarHBondContact O-N 3.15Å; G168-R170 PolarHBondContact O-N 3.47Å
169S59Low59.9Low101 Ų101101.4 Ų101.471%0.70659%0.593SS**  trans-41.4114.7166.348.10000109.8S171S169-S171 PolarHBondContact O-N 3.03Å; S169-S171 VanDerWaalsContact O-N 3.07Å
170R57.2Low60.2Low174 Ų174100 Ų10066%0.65760%0.597SS**  trans-7519.5171.8-69.1-173.9177.4-151.67.2111.7L162 G165 G168L162-R170 PolarHBondContact O-NH1 2.87Å; L162-R170 VanDerWaalsContact O-NH1 3.14Å; L162-R170 PolarHBondContact O-NH2 3.43Å; G165-R170 VanDerWaalsContact N-NH2 3.19Å; G168-R170 PolarHBondContact O-N 3.47Å
171S64.6Low60.4Low86 Ų86103.8 Ų103.860%0.60161%0.614SS**PPolyproline II helixtrans-77.3127.2167.353.30000108.4S169S169-S171 PolarHBondContact O-N 3.03Å; S169-S171 VanDerWaalsContact O-N 3.07Å
172L65.3Low60.6Low153 Ų15399.8 Ų99.880%0.80161%0.61SS**PPolyproline II helixtrans-53.1143.9161-66168.7000107.6L174L172-L174 PolarHBondContact O-N 3.34Å; L172-L174 VanDerWaalsContact O-N 3.08Å
173P61.5Low61.1Low102 Ų10297.1 Ų97.166%0.66260%0.6SS**PPolyproline II helixtrans-51.8126.9168.623.6-32000106.8T175P173-T175 PolarHBondContact O-N 2.83Å; P173-T175 PolarHBondContact O-OG1 2.93Å
174L60.9Low61.6Low146 Ų14696.7 Ų96.776%0.76459%0.593SS**  trans-6480.4179.3-165.378.5000107.9L172 G176L172-L174 PolarHBondContact O-N 3.34Å; L172-L174 VanDerWaalsContact O-N 3.08Å; L174-G176 PolarHBondContact O-N 3.08Å
175T57.3Low62.3Low134 Ų134103.9 Ų103.982%0.82262%0.623SS**  trans-89.464179.9-40.20000105.7P173P173-T175 PolarHBondContact O-N 2.83Å; P173-T175 PolarHBondContact O-OG1 2.93Å
176G54.8Low63Low38 Ų38109.7 Ų109.739%0.39265%0.645SS.*SBendtrans-142.9122.9178.200000106.6L174 H178L174-G176 PolarHBondContact O-N 3.08Å; G176-H178 PolarHBondContact O-CE1 3.48Å; G176-H178 PolarHBondContact O-N 2.87Å; G176-H178 PolarHBondContact O-ND1 3.43Å; G176-H178 VanDerWaalsContact O-ND1 3.1Å
177C61Low63.8Low115 Ų115110.5 Ų110.578%0.77764%0.643SS**  trans-51.3117.4173.3-60.20000108V179C177-V179 PolarHBondContact O-N 3.01Å
178H62.9Low64.9Low162 Ų162105.2 Ų105.275%0.7562%0.624SS**SBendtrans-67.66.7179.6-31.5-57.2000112.8G176G176-H178 PolarHBondContact O-CE1 3.48Å; G176-H178 PolarHBondContact O-N 2.87Å; G176-H178 PolarHBondContact O-ND1 3.43Å; G176-H178 VanDerWaalsContact O-ND1 3.1Å
179V68.7Low65.8Low60 Ų60108.7 Ų108.736%0.36464%0.644SS.*SBendtrans-97.2104.8-177.6-166.70000105.9C177 T183 Y184C177-V179 PolarHBondContact O-N 3.01Å; V179-T183 WeakPolarHBondContact CA-OG1 3.44Å; V179-T183 VanDerWaalsContact CG1-O 3.3Å; V179-T183 WeakPolarHBondContact CG1-O 3.38Å; V179-T183 WeakPolarHBondContact CG1-OG1 3.39Å; V179-Y184 HydrophobicContact CB-CD1 4.19Å; V179-Y184 HydrophobicContact CB-CE1 4.15Å; V179-Y184 HydrophobicContact CG1-CD1 3.57Å; V179-Y184 HydrophobicContact CG1-CE1 3.93Å; V179-Y184 HydrophobicContact CG1-CG 4.28Å
180A65.8Low66.9Low54 Ų54108.4 Ų108.445%0.44664%0.638SS.*  trans-54.3147173.900000110.1G182 T183A180-G182 PolarHBondContact O-N 3.01Å; A180-T183 HydrophobicContact CB-CG2 4.29Å; A180-T183 PolarHBondContact N-OG1 3.28Å; A180-T183 PolarHBondContact O-N 3.07Å; A180-T183 PolarHBondContact O-OG1 3.19Å
181P61.6Low67.9Low119 Ų119105.5 Ų105.577%0.77363%0.632SS**THydrogen-bonded Turntrans-51.7115.2172.4-19.929.6000109.8
182G67.5Low68.6Low70 Ų70108 Ų10872%0.72263%0.632SS**THydrogen-bonded Turntrans105.7-6.1-176.300000116A180A180-G182 PolarHBondContact O-N 3.01Å
183T71.8Confident69.3Low86 Ų86107.2 Ų107.253%0.52863%0.628SS.*  trans-98.812.6173.852.90000113.4V179 A180 E185V179-T183 WeakPolarHBondContact CA-OG1 3.44Å; V179-T183 VanDerWaalsContact CG1-O 3.3Å; V179-T183 WeakPolarHBondContact CG1-O 3.38Å; V179-T183 WeakPolarHBondContact CG1-OG1 3.39Å; A180-T183 HydrophobicContact CB-CG2 4.29Å; A180-T183 PolarHBondContact N-OG1 3.28Å; A180-T183 PolarHBondContact O-N 3.07Å; A180-T183 PolarHBondContact O-OG1 3.19Å; T183-E185 PolarHBondContact O-N 2.81Å
184Y70.3Confident70.2Confident131 Ų131108.6 Ų108.651%0.51463%0.629SS.*  trans-73117.8175.8-42.9-71.8000109.7V179 L186V179-Y184 HydrophobicContact CB-CD1 4.19Å; V179-Y184 HydrophobicContact CB-CE1 4.15Å; V179-Y184 HydrophobicContact CG1-CD1 3.57Å; V179-Y184 HydrophobicContact CG1-CE1 3.93Å; V179-Y184 HydrophobicContact CG1-CG 4.28Å; Y184-L186 VanDerWaalsContact C-N 3.29Å; Y184-L186 PolarHBondContact O-N 2.95Å
185E71.2Confident71Confident198 Ų198107.5 Ų107.593%0.92562%0.624SS**  trans-70.691.4161.6-74.5-174.2170.700108.5T183 S187T183-E185 PolarHBondContact O-N 2.81Å; E185-S187 PolarHBondContact O-N 3.3Å; E185-S187 VanDerWaalsContact O-N 3.14Å
186L69.5Low71.9Confident155 Ų155108.5 Ų108.581%0.81262%0.617SS**  trans-74.799.9171.1-72.6164.6000107.9Y184 G188Y184-L186 VanDerWaalsContact C-N 3.29Å; Y184-L186 PolarHBondContact O-N 2.95Å; L186-G188 PolarHBondContact O-N 3.4Å
187S72.5Confident72.7Confident59 Ų59116.2 Ų116.241%0.41364%0.639SS.*  trans-54.2116.9166.663.10000108.4E185 K192E185-S187 PolarHBondContact O-N 3.3Å; E185-S187 VanDerWaalsContact O-N 3.14Å; S187-K192 WeakPolarHBondContact OG-CE 3.5Å
188G78.8Confident72.9Confident38 Ų38112.9 Ų112.939%0.39262%0.616SS.*  trans-54.3150-179.800000111.7L186 V190 Q191 K192L186-G188 PolarHBondContact O-N 3.4Å; G188-V190 PolarHBondContact O-N 3.03Å; G188-V190 VanDerWaalsContact O-N 3.15Å; G188-Q191 WeakPolarHBondContact O-CB 3.39Å; G188-Q191 PolarHBondContact O-N 3.44Å; G188-K192 PolarHBondContact O-N 2.92Å
189S79.8Confident73.1Confident101 Ų101107.1 Ų107.171%0.70660%0.6SS**Hα-helixtrans-53.5-35.2177.652.20000112.2L193S189-L193 PolarHBondContact O-N 3.02Å; S189-L193 VanDerWaalsContact O-N 3.15Å
190V80.8Confident73Confident96 Ų96114 Ų11458%0.58263%0.625SS**Hα-helixtrans-66.7-44.1175-176.40000111.8G188 K192 L193 L194G188-V190 PolarHBondContact O-N 3.03Å; G188-V190 VanDerWaalsContact O-N 3.15Å; V190-K192 VanDerWaalsContact C-N 3.34Å; V190-K192 PolarHBondContact O-N 2.76Å; V190-L193 WeakPolarHBondContact O-CB 3.24Å; V190-L193 PolarHBondContact O-N 3.34Å; V190-L193 VanDerWaalsContact O-N 3.07Å; V190-L194 HydrophobicContact CG1-CD1 4.15Å; V190-L194 WeakPolarHBondContact O-CG 3.26Å; V190-L194 PolarHBondContact O-N 3.34Å
191Q79.4Confident73.1Confident112 Ų112121.6 Ų121.652%0.52364%0.642SS.*Hα-helixtrans-59.9-45.7177.7-137.385.318.600111G188 L193 L194 D195G188-Q191 WeakPolarHBondContact O-CB 3.39Å; G188-Q191 PolarHBondContact O-N 3.44Å; Q191-L193 PolarHBondContact O-N 2.88Å; Q191-L194 PolarHBondContact O-N 3.37Å; Q191-L194 VanDerWaalsContact O-N 3.14Å; Q191-D195 WeakPolarHBondContact O-CB 3.35Å; Q191-D195 PolarHBondContact O-N 3.24Å
192K79Confident73.2Confident138 Ų138117.1 Ų117.160%0.662%0.618SS**Hα-helixtrans-61.1-32.8175.1-86.5176.8169.5164.60113.1S187 G188 V190 K196S187-K192 WeakPolarHBondContact OG-CE 3.5Å; G188-K192 PolarHBondContact O-N 2.92Å; V190-K192 VanDerWaalsContact C-N 3.34Å; V190-K192 PolarHBondContact O-N 2.76Å; K192-K196 PolarHBondContact O-N 3.49Å
193L80.9Confident73Confident138 Ų138118.5 Ų118.572%0.72361%0.614SS**Hα-helixtrans-73.2-35.5177.4-152.3120000111.4S189 V190 Q191S189-L193 PolarHBondContact O-N 3.02Å; S189-L193 VanDerWaalsContact O-N 3.15Å; V190-L193 WeakPolarHBondContact O-CB 3.24Å; V190-L193 PolarHBondContact O-N 3.34Å; V190-L193 VanDerWaalsContact O-N 3.07Å; Q191-L193 PolarHBondContact O-N 2.88Å
194L79.5Confident72.6Confident131 Ų131124.4 Ų124.469%0.68663%0.628SS**Hα-helixtrans-72.9-39.1175.3-72.6166000112.9V190 Q191 K196V190-L194 HydrophobicContact CG1-CD1 4.15Å; V190-L194 WeakPolarHBondContact O-CG 3.26Å; V190-L194 PolarHBondContact O-N 3.34Å; Q191-L194 PolarHBondContact O-N 3.37Å; Q191-L194 VanDerWaalsContact O-N 3.14Å; L194-K196 PolarHBondContact O-N 2.88Å
195D77.4Confident72.4Confident122 Ų122119.6 Ų119.665%0.65261%0.611SS**Hα-helixtrans-73.2-14.6179.3-73.3-23000113.2Q191 K197Q191-D195 WeakPolarHBondContact O-CB 3.35Å; Q191-D195 PolarHBondContact O-N 3.24Å; D195-K197 PolarHBondContact O-N 2.65Å
196K77.2Confident72.1Confident156 Ų156116.8 Ų116.868%0.67860%0.602SS**  trans-67.993.3179.8-173.2177.7174.4-177.50110.6K192 L194 T198K192-K196 PolarHBondContact O-N 3.49Å; L194-K196 PolarHBondContact O-N 2.88Å; K196-T198 PolarHBondContact O-N 3.28Å
197K70Confident71.6Confident199 Ų199115.1 Ų115.187%0.86559%0.591SS**  trans-74.6111.7169.1-80.2-177.1175.3174.90111.4D195 G199D195-K197 PolarHBondContact O-N 2.65Å; K197-G199 PolarHBondContact O-N 2.91Å
198T67.1Low70.6Confident46 Ų46116.1 Ų116.128%0.28260%0.595SS.*  trans-83.392.4165.448.70000109.2K196 G202 P203K196-T198 PolarHBondContact O-N 3.28Å; T198-G202 CarbonylContact O-C 3.42Å; T198-G202 PolarHBondContact OG1-O 3.47Å; T198-P203 WeakPolarHBondContact OG1-CA 2.97Å; T198-P203 PolarHBondContact OG1-O 3.49Å; T198-P203 VanDerWaalsContact OG1-O 3.11Å
199G65.2Low69.8Low40 Ų40116.6 Ų116.641%0.41260%0.6SS.*SBendtrans71.3177.5170.300000116.3K197K197-G199 PolarHBondContact O-N 2.91Å
200K67.5Low68.7Low206 Ų206116.7 Ų116.790%0.89660%0.598SS**SBendtrans-81-17.9-177.6-68.6-174.9179.5-179.10113.5
201R68.6Low67.7Low212 Ų212124.4 Ų124.480%0.862%0.617SS**SBendtrans-1012.2-174.5-72.1176.8149.1129.5-2.7114.9D205R201-D205 HydrophobicContact CB-CB 3.8Å; R201-D205 WeakPolarHBondContact CB-OD2 3.45Å
202G62.8Low66.7Low26 Ų26124.2 Ų124.227%0.26863%0.628SS.*  trans111.1-177.717400000114.7T198 Y204 D205T198-G202 CarbonylContact O-C 3.42Å; T198-G202 PolarHBondContact OG1-O 3.47Å; G202-Y204 PolarHBondContact O-N 3.45Å; G202-D205 PolarHBondContact O-N 3.17Å
203P64.5Low65.4Low98 Ų98125.2 Ų125.264%0.63663%0.632SS**THydrogen-bonded Turntrans-59.5-10.9-160.918-29.8000116.8T198T198-P203 WeakPolarHBondContact OG1-CA 2.97Å; T198-P203 PolarHBondContact OG1-O 3.49Å; T198-P203 VanDerWaalsContact OG1-O 3.11Å
204Y62.2Low63.9Low210 Ų210124.2 Ų124.282%0.82463%0.632SS**THydrogen-bonded Turntrans-120.36.3-176.6-55-72.7000113.9G202 L206G202-Y204 PolarHBondContact O-N 3.45Å; Y204-L206 PolarHBondContact O-N 2.99Å
205D65.8Low62.5Low30 Ų30126.3 Ų126.316%0.1663%0.632CS.*  trans-80.284.5178.1-170.426000110.8R201 G202 M207 T208R201-D205 HydrophobicContact CB-CB 3.8Å; R201-D205 WeakPolarHBondContact CB-OD2 3.45Å; G202-D205 PolarHBondContact O-N 3.17Å; D205-M207 PolarHBondContact O-N 2.99Å; D205-M207 PolarHBondContact OD1-N 3.4Å; D205-T208 PolarHBondContact OD2-OG1 3.46Å
206L64.9Low61.1Low140 Ų140125.9 Ų125.973%0.73363%0.634SS**  trans-76.1-10.4174.3-65166.1000112.3Y204Y204-L206 PolarHBondContact O-N 2.99Å
207M60.3Low59.7Low119 Ų119122.5 Ų122.559%0.58663%0.63SS**  trans-129.760.9-166.2-64.1-69.8137.500111.2D205 G209 Y215D205-M207 PolarHBondContact O-N 2.99Å; D205-M207 PolarHBondContact OD1-N 3.4Å; M207-G209 VanDerWaalsContact C-N 3.27Å; M207-G209 PolarHBondContact O-N 2.88Å; M207-Y215 HydrophobicContact SD-CE2 4.21Å
208T51.3Low59Low81 Ų81121.4 Ų121.450%0.49763%0.628SS.*  trans-83.872.5171.9-35.10000110.2D205D205-T208 PolarHBondContact OD2-OG1 3.46Å
209G61.9Low58.2Low48 Ų48128.1 Ų128.150%0.49565%0.65SS.*SBendtrans-176.7161.3177.400000112.9M207 R211M207-G209 VanDerWaalsContact C-N 3.27Å; M207-G209 PolarHBondContact O-N 2.88Å; G209-R211 PolarHBondContact O-N 3.41Å
210P56.5Low57.7Low103 Ų103129.5 Ų129.567%0.66965%0.652SS**  trans-59.5131.2178.123.2-30.9000111.3S212 F213P210-S212 PolarHBondContact O-N 3.36Å; P210-F213 PolarHBondContact O-N 2.9Å
211R58.9Low57.5Low258 Ų258126.8 Ų126.897%0.97464%0.642SS**THydrogen-bonded Turntrans-63.80.4-174.4-60.5-177.6-171.1-135.51.2115G209G209-R211 PolarHBondContact O-N 3.41Å
212S59.7Low56.7Low107 Ų107122.6 Ų122.675%0.74864%0.642SS**THydrogen-bonded Turntrans-92.1-0.2-177.654.20000114P210 T214P210-S212 PolarHBondContact O-N 3.36Å; S212-T214 PolarHBondContact O-N 2.92Å
213F51.1Low56.8Low159 Ų159124.4 Ų124.470%0.69766%0.661SS**  trans-88.1110.9179-137.6-94.5000110.6P210 Y215P210-F213 PolarHBondContact O-N 2.9Å; F213-Y215 PolarHBondContact O-N 2.95Å; F213-Y215 VanDerWaalsContact O-N 3.1Å
214T49.5Very low56.9Low117 Ų117124 Ų12472%0.71866%0.657SS**  trans-62.3108.6163.531.50000108.1S212 T216S212-T214 PolarHBondContact O-N 2.92Å; T214-T216 PolarHBondContact O-N 3.34Å
215Y50Low57Low176 Ų176120 Ų12069%0.6964%0.641SS**  trans-65.487.9167.7-85.7-89.2000108.2M207 F213 S217M207-Y215 HydrophobicContact SD-CE2 4.21Å; F213-Y215 PolarHBondContact O-N 2.95Å; F213-Y215 VanDerWaalsContact O-N 3.1Å; Y215-S217 VanDerWaalsContact C-N 3.27Å; Y215-S217 PolarHBondContact O-N 3.39Å; Y215-S217 VanDerWaalsContact O-N 3.09Å
216T48.2Very low56.9Low112 Ų112124.2 Ų124.269%0.68767%0.673SS**  trans-68.598.7152.147.50000104.8T214 E218T214-T216 PolarHBondContact O-N 3.34Å; T216-E218 PolarHBondContact O-N 2.99Å
217S48.1Very low57.2Low86 Ų86124.3 Ų124.360%0.60167%0.673SS**  trans-60.2106.6175.7-178.90000107.9Y215 Y219Y215-S217 VanDerWaalsContact C-N 3.27Å; Y215-S217 PolarHBondContact O-N 3.39Å; Y215-S217 VanDerWaalsContact O-N 3.09Å; S217-Y219 PolarHBondContact O-N 3.1Å; S217-Y219 PolarHBondContact OG-N 3.28Å; S217-Y219 PolarHBondContact OG-O 3.02Å
218E54.8Low57.6Low175 Ų175123.5 Ų123.582%0.81868%0.677SS**SBendtrans-67.1-3.5165-69.2-176.2163.900111.6T216T216-E218 PolarHBondContact O-N 2.99Å
219Y50.9Low58.6Low187 Ų187122.6 Ų122.673%0.73367%0.674SS**SBendtrans-99.9120.2178.1-61.7-75.7000110.6S217S217-Y219 PolarHBondContact O-N 3.1Å; S217-Y219 PolarHBondContact OG-N 3.28Å; S217-Y219 PolarHBondContact OG-O 3.02Å
220P54.9Low59.2Low70 Ų70129.3 Ų129.346%0.45569%0.69SS.*PPolyproline II helixtrans-62.1148.5171.2-9.622000110.3T224 Y225P220-T224 WeakPolarHBondContact CB-OG1 3.24Å; P220-Y225 HydrophobicContact CB-CD1 4.34Å; P220-Y225 HydrophobicContact CG-CD1 4.49Å
221E62.5Low60.2Low149 Ų149128 Ų12870%0.69668%0.68SS**PPolyproline II helixtrans-52.3148170.9-75.2-175.4154.500111.6G223 T224E221-G223 PolarHBondContact O-N 3.15Å; E221-T224 HydrophobicContact CB-CG2 4.43Å; E221-T224 PolarHBondContact N-OG1 3.07Å; E221-T224 PolarHBondContact O-N 3.26Å; E221-T224 PolarHBondContact O-OG1 2.9Å
222P52.8Low60.9Low123 Ų123117.7 Ų117.780%0.79965%0.648SS**THydrogen-bonded Turntrans-56106178.6-19.330.5000111.2Y225P222-Y225 WeakPolarHBondContact CA-OH 3.05Å
223G64Low61.6Low65 Ų65116 Ų11667%0.6763%0.63SS**THydrogen-bonded Turntrans118.9-10.4-175.900000115.7E221 Y225E221-G223 PolarHBondContact O-N 3.15Å; G223-Y225 VanDerWaalsContact N-CZ 3.26Å; G223-Y225 PolarHBondContact N-OH 3.28Å
224T66.2Low62.7Low89 Ų89113.1 Ų113.155%0.54662%0.621SS.*  trans-96.81.3179.150.80000114.3P220 E221 S226P220-T224 WeakPolarHBondContact CB-OG1 3.24Å; E221-T224 HydrophobicContact CB-CG2 4.43Å; E221-T224 PolarHBondContact N-OG1 3.07Å; E221-T224 PolarHBondContact O-N 3.26Å; E221-T224 PolarHBondContact O-OG1 2.9Å; T224-S226 PolarHBondContact O-N 3.37Å
225Y64.5Low64Low127 Ų127114.5 Ų114.550%0.49862%0.624SS.*  trans-80.8115.8176.319.1-94.4000111.9P220 P222 G223 L227P220-Y225 HydrophobicContact CB-CD1 4.34Å; P220-Y225 HydrophobicContact CG-CD1 4.49Å; P222-Y225 WeakPolarHBondContact CA-OH 3.05Å; G223-Y225 VanDerWaalsContact N-CZ 3.26Å; G223-Y225 PolarHBondContact N-OH 3.28Å; Y225-L227 PolarHBondContact O-N 3.1Å; Y225-L227 VanDerWaalsContact O-N 3.16Å
226S64.4Low65.4Low117 Ų117110.4 Ų110.482%0.81861%0.607SS**  trans-70.1104162.3-176.30000108.7T224 P228T224-S226 PolarHBondContact O-N 3.37Å; S226-P228 WeakPolarHBondContact O-CD 3.42Å
227L70.5Confident67Low142 Ų142110.7 Ų110.774%0.74361%0.611SS**PPolyproline II helixtrans-70.4117.2174.2-69.6170.9000108.7Y225 S229Y225-L227 PolarHBondContact O-N 3.1Å; Y225-L227 VanDerWaalsContact O-N 3.16Å; L227-S229 PolarHBondContact O-N 3.42Å; L227-S229 VanDerWaalsContact O-N 3.13Å
228P68.2Low68.4Low103 Ų103112.7 Ų112.767%0.66961%0.61SS**PPolyproline II helixtrans-63121.9174.425.8-31.5000107.9S226 F230S226-P228 WeakPolarHBondContact O-CD 3.42Å; P228-F230 PolarHBondContact O-N 3.38Å
229S72.6Confident69.6Low61 Ų61108.4 Ų108.443%0.42759%0.589SS.*PPolyproline II helixtrans-56.2142.7176.985.20000108.8L227 T231 S232L227-S229 PolarHBondContact O-N 3.42Å; L227-S229 VanDerWaalsContact O-N 3.13Å; S229-T231 PolarHBondContact O-N 3.14Å; S229-T231 PolarHBondContact OG-N 3.14Å; S229-T231 PolarHBondContact OG-OG1 3Å; S229-S232 VanDerWaalsContact O-CB 3.29Å; S229-S232 WeakPolarHBondContact O-CB 3.35Å; S229-S232 PolarHBondContact O-N 3.07Å; S229-S232 PolarHBondContact O-OG 3.17Å; S229-S232 PolarHBondContact OG-N 3.42Å; S229-S232 VanDerWaalsContact OG-N 3.08Å
230F75.1Confident71Confident190 Ų190105.8 Ų105.883%0.83358%0.582SS**THydrogen-bonded Turntrans-53.3-26.4175.5179-102.4000112.1P228P228-F230 PolarHBondContact O-N 3.38Å
231T76.8Confident72.1Confident74 Ų74107 Ų10745%0.45458%0.578SS.*THydrogen-bonded Turntrans-82.9-15.8178.756.60000114.6S229 N233 L234 L235S229-T231 PolarHBondContact O-N 3.14Å; S229-T231 PolarHBondContact OG-N 3.14Å; S229-T231 PolarHBondContact OG-OG1 3Å; T231-N233 PolarHBondContact O-N 3.37Å; T231-N233 VanDerWaalsContact O-N 3.12Å; T231-L234 WeakPolarHBondContact O-CB 3.41Å; T231-L234 PolarHBondContact O-N 3.25Å; T231-L235 PolarHBondContact O-N 3.47Å
232S74.2Confident72.8Confident43 Ų43103.9 Ų103.930%0.30157%0.569SS.*THydrogen-bonded Turntrans-56.8-31.6179.263.10000113S229 L234 L235S229-S232 VanDerWaalsContact O-CB 3.29Å; S229-S232 WeakPolarHBondContact O-CB 3.35Å; S229-S232 PolarHBondContact O-N 3.07Å; S229-S232 PolarHBondContact O-OG 3.17Å; S229-S232 PolarHBondContact OG-N 3.42Å; S229-S232 VanDerWaalsContact OG-N 3.08Å; S232-L234 VanDerWaalsContact C-N 3.34Å; S232-L235 PolarHBondContact O-N 3.29Å
233N74.8Confident73.9Confident72 Ų72102.2 Ų102.239%0.38557%0.574SS.*THydrogen-bonded Turntrans-73-23.9176.4-75.1-38.3000113.7T231 R236 K239T231-N233 PolarHBondContact O-N 3.37Å; T231-N233 VanDerWaalsContact O-N 3.12Å; N233-R236 PolarHBondContact OD1-NE 3.19Å; N233-R236 PolarHBondContact OD1-NH2 2.9Å; N233-R236 VanDerWaalsContact OD1-NH2 3.14Å; N233-K239 WeakPolarHBondContact O-CD 3.29Å
234L74.3Confident74.7Confident97 Ų97105.1 Ų105.151%0.50857%0.572SS.*THydrogen-bonded Turntrans-81.9-26177.4-65.1170.2000111.9T231 S232 R236T231-L234 WeakPolarHBondContact O-CB 3.41Å; T231-L234 PolarHBondContact O-N 3.25Å; S232-L234 VanDerWaalsContact C-N 3.34Å; L234-R236 PolarHBondContact O-N 3.43Å
235L76.8Confident75.2Confident146 Ų146111.2 Ų111.276%0.76459%0.591SS**SBendtrans-79.4-0.5179.1-62.8174.9000113.9T231 S232T231-L235 PolarHBondContact O-N 3.47Å; S232-L235 PolarHBondContact O-N 3.29Å
236R79.1Confident75.4Confident91 Ų91112.3 Ų112.334%0.34359%0.594SS.*SBendtrans-67.9140.4178.3-65.9-173.4-176.8-164.90.2110.7N233 L234 E238 K239 K240N233-R236 PolarHBondContact OD1-NE 3.19Å; N233-R236 PolarHBondContact OD1-NH2 2.9Å; N233-R236 VanDerWaalsContact OD1-NH2 3.14Å; L234-R236 PolarHBondContact O-N 3.43Å; R236-E238 PolarHBondContact O-N 3.29Å; R236-E238 VanDerWaalsContact O-N 3.1Å; R236-K239 PolarHBondContact O-N 3.22Å; R236-K240 PolarHBondContact O-N 2.91Å
237P81.9Confident75.7Confident117 Ų117118.6 Ų118.676%0.7660%0.6SS**G310 helixtrans-58.3-29.8179.223.5-33.6000112.7K239 K240P237-K239 VanDerWaalsContact C-N 3.26Å; P237-K239 PolarHBondContact O-N 3.49Å; P237-K240 WeakPolarHBondContact O-CB 3.39Å; P237-K240 PolarHBondContact O-N 3.46Å
238E77.8Confident75.5Confident128 Ų128118.8 Ų118.860%0.59860%0.601SS**G310 helixtrans-64.5-27.8175.8-60.7173.4176.800113.3R236R236-E238 PolarHBondContact O-N 3.29Å; R236-E238 VanDerWaalsContact O-N 3.1Å
239K78.9Confident75.4Confident86 Ų86121.8 Ų121.837%0.37461%0.61SS.*G310 helixtrans-101.99.6-178.2-68.2-152.4-169.4175.20113.7N233 R236 P237 Y241 T242N233-K239 WeakPolarHBondContact O-CD 3.29Å; R236-K239 PolarHBondContact O-N 3.22Å; P237-K239 VanDerWaalsContact C-N 3.26Å; P237-K239 PolarHBondContact O-N 3.49Å; K239-Y241 PolarHBondContact O-N 3.43Å; K239-T242 HydrophobicContact CB-CG2 4.13Å; K239-T242 WeakPolarHBondContact CB-OG1 3.35Å; K239-T242 HydrophobicContact CD-CG2 4.4Å; K239-T242 HydrophobicContact CG-CG2 4.07Å; K239-T242 PolarHBondContact O-N 3.4Å; K239-T242 PolarHBondContact O-OG1 3.33Å
240K80.6Confident74.7Confident132 Ų132122.9 Ų122.957%0.57461%0.614SS**THydrogen-bonded Turntrans-52.3-26-179.5-175.2174.1179.9-179.30114R236 P237R236-K240 PolarHBondContact O-N 2.91Å; P237-K240 WeakPolarHBondContact O-CB 3.39Å; P237-K240 PolarHBondContact O-N 3.46Å
241Y77.3Confident73.7Confident95 Ų95120 Ų12037%0.37361%0.608SS.*THydrogen-bonded Turntrans-121.77.8-176.9-54.5-76.9000113.8K239 G243 M244 R246K239-Y241 PolarHBondContact O-N 3.43Å; Y241-G243 PolarHBondContact O-N 3.22Å; Y241-M244 PolarHBondContact O-N 3.22Å; Y241-R246 HydrophobicContact CD1-CG 4.13Å; Y241-R246 VanDerWaalsContact CE1-CZ 3.45Å; Y241-R246 PolarHBondContact OH-NH2 2.84Å
242T77.1Confident72.6Confident84 Ų84125.4 Ų125.452%0.51563%0.628SS.*THydrogen-bonded Turntrans-69.2118.5175.250.40000109.2K239K239-T242 HydrophobicContact CB-CG2 4.13Å; K239-T242 WeakPolarHBondContact CB-OG1 3.35Å; K239-T242 HydrophobicContact CD-CG2 4.4Å; K239-T242 HydrophobicContact CG-CG2 4.07Å; K239-T242 PolarHBondContact O-N 3.4Å; K239-T242 PolarHBondContact O-OG1 3.33Å
243G76.3Confident71.5Confident87 Ų87134 Ų13490%0.89765%0.654SS**THydrogen-bonded Turntrans87.31-176.700000115.1Y241Y241-G243 PolarHBondContact O-N 3.22Å
244M80.5Confident70.2Confident127 Ų127138.1 Ų138.163%0.62667%0.668SS**  trans-105.5128.5174.5-61.7-173.177.800110.7Y241 R246Y241-M244 PolarHBondContact O-N 3.22Å; M244-R246 PolarHBondContact O-N 3.06Å
245F77.2Confident68.8Low216 Ų216140.1 Ų140.195%0.94768%0.676SS**  trans-71.4119167.5-67.2-75.4000109.4
246R68.2Low67.6Low150 Ų150141.1 Ų141.157%0.56668%0.683SS**  trans-90.6135.7169.2-66.3-174.2-170.6-138-119.6109.3Y241 M244 L248Y241-R246 HydrophobicContact CD1-CG 4.13Å; Y241-R246 VanDerWaalsContact CE1-CZ 3.45Å; Y241-R246 PolarHBondContact OH-NH2 2.84Å; M244-R246 PolarHBondContact O-N 3.06Å; R246-L248 PolarHBondContact O-N 2.9Å
247R71.7Confident66.3Low250 Ų250143.3 Ų143.394%0.94370%0.697SS**  trans-72.9109.8157.5-69.3-177.3-179.9175.8-0.4106.8L249R247-L249 PolarHBondContact O-N 3.48Å
248L66.7Low64.6Low146 Ų146142 Ų14276%0.76469%0.689SS**  trans-64.7125.7161.3-75167.9000106.1R246 V250R246-L248 PolarHBondContact O-N 2.9Å; L248-V250 HydrophobicContact CB-CG2 4.4Å; L248-V250 PolarHBondContact O-N 3.36Å
249L65.2Low63Low165 Ų165146.9 Ų146.986%0.86470%0.704SS**  trans-6490.3162.7-112.9143.9000105.3R247 D251R247-L249 PolarHBondContact O-N 3.48Å; L249-D251 VanDerWaalsContact C-N 3.3Å; L249-D251 PolarHBondContact O-N 3.33Å
250V58.5Low61.3Low84 Ų84148.1 Ų148.151%0.50972%0.723SS.*  trans-71.998.1169.5178.40000104.2L248 Q252 M255L248-V250 HydrophobicContact CB-CG2 4.4Å; L248-V250 PolarHBondContact O-N 3.36Å; V250-Q252 VanDerWaalsContact C-N 3.33Å; V250-Q252 PolarHBondContact O-N 3.5Å; V250-M255 HydrophobicContact CG1-CG 4.49Å
251D53.6Low59.5Low130 Ų130146.5 Ų146.570%0.69574%0.735SS**  trans-53.7109.1156.7-81.1-20.6000105.4L249 R253L249-D251 VanDerWaalsContact C-N 3.3Å; L249-D251 PolarHBondContact O-N 3.33Å; D251-R253 PolarHBondContact O-N 3.21Å
252Q54.6Low57.9Low188 Ų188152.9 Ų152.988%0.87976%0.758SS**SBendtrans-65.425-175.2-72.5179-22.800113.3V250V250-Q252 VanDerWaalsContact C-N 3.33Å; V250-Q252 PolarHBondContact O-N 3.5Å
253R50Low56.4Low224 Ų224156.6 Ų156.685%0.84577%0.772SS**SBendtrans-106.9102.3178.6-61.4-177.4-174.8179.72107.7D251D251-R253 PolarHBondContact O-N 3.21Å
254K48Very low55Low157 Ų157161.4 Ų161.468%0.68377%0.771SS**  trans95.739.5161.5-48.5-176.7178.1-172.60119.3D256K254-D256 PolarHBondContact O-N 2.99Å
255M45.3Very low53.4Low139 Ų139161.7 Ų161.769%0.68578%0.775SS**G310 helixtrans-71.8-8169.5-87.8-95.4104.300114.7V250 Q257V250-M255 HydrophobicContact CG1-CG 4.49Å; M255-Q257 VanDerWaalsContact C-N 3.32Å; M255-Q257 PolarHBondContact O-N 3.45Å
256D51.8Low51.7Low168 Ų168159.2 Ų159.290%0.89877%0.771SS**G310 helixtrans-83.24.8-179.9-65.6-22.6000115.2K254K254-D256 PolarHBondContact O-N 2.99Å
257Q52Low50.7Low137 Ų137159.4 Ų159.464%0.6478%0.783SS**G310 helixtrans-110.77.2-172.5-74.3-177.7-2.500115.7M255 Y259M255-Q257 VanDerWaalsContact C-N 3.32Å; M255-Q257 PolarHBondContact O-N 3.45Å; Q257-Y259 PolarHBondContact O-N 3.14Å
258C45.8Very low49.5Very low89 Ų89153.6 Ų153.660%0.60178%0.775SS**THydrogen-bonded Turntrans-75.121.5-168.8-690000117.2
259Y44.7Very low48.7Very low230 Ų230157.4 Ų157.490%0.90279%0.785SS**THydrogen-bonded Turntrans-112.40.1179.3-86.5-79.4000117.3Q257Q257-Y259 PolarHBondContact O-N 3.14Å
260S42Very low48Very low112 Ų112152.6 Ų152.678%0.78377%0.766SS**SBendtrans-135.54-167.7-34.30000118.3R262S260-R262 PolarHBondContact O-N 3.08Å
261A42.5Very low47.8Very low99 Ų99159.2 Ų159.282%0.81878%0.781SS**  trans-103.574.2-169.800000113.5
262R43.5Very low48.1Very low229 Ų229159.6 Ų159.686%0.86478%0.782SS**SBendtrans-111.36.1162.4-156171.6-146.5-1758.6113.8S260S260-R262 PolarHBondContact O-N 3.08Å
263M46Very low48.3Very low161 Ų161152.2 Ų152.279%0.79376%0.757SS**SBendtrans-135.87.3-168.6-77.8-68.8149.700116.6N265M263-N265 PolarHBondContact O-N 2.91Å
264Q47.3Very low49.1Very low189 Ų189148.6 Ų148.688%0.88376%0.762SS**  trans-105.888177.2-73.5-174.7-15.800110.6
265N46.1Very low50Low132 Ų132144.7 Ų144.771%0.70677%0.767SS**  trans-58.3136.5162.6-68.1-34.5000109.7M263 L267M263-N265 PolarHBondContact O-N 2.91Å; N265-L267 VanDerWaalsContact C-N 3.33Å; N265-L267 PolarHBondContact O-N 2.63Å
266D41.4Very low51.2Low164 Ų164146.4 Ų146.488%0.87777%0.767SS**SBendtrans-60.582.6172.2-72.4-46.6000112
267L49Very low51.8Low155 Ų155147 Ų14781%0.81276%0.757SS**  trans-145.2123.8159.7-72174.4000108.4N265N265-L267 VanDerWaalsContact C-N 3.33Å; N265-L267 PolarHBondContact O-N 2.63Å
268V46.2Very low52.6Low127 Ų127147.5 Ų147.577%0.7777%0.765SS**  trans80.897.8169.4-153.90000115.7S270V268-S270 PolarHBondContact O-N 3.38Å
269K48.9Very low53.8Low226 Ų226146.4 Ų146.498%0.98376%0.756SS**  trans-64.539.5159.2-76.3178.8172175.60113.2
270S51.7Low55Low65 Ų65144.3 Ų144.346%0.45575%0.752SS.*  trans-100.9104.1179.9-178.60000110.1V268 I272V268-S270 PolarHBondContact O-N 3.38Å; S270-I272 PolarHBondContact O-N 2.68Å
271R53.1Low55.9Low222 Ų222148.6 Ų148.684%0.83875%0.752SS**  trans11.517.9148.6-62.1-173.4175.4-158.9-0.7122.7G273R271-G273 PolarHBondContact O-N 3.29Å; R271-G273 VanDerWaalsContact O-N 3.16Å
272I60.6Low56.6Low139 Ų139150.2 Ų150.271%0.71375%0.746SS**  trans-92.385.9-176.5-60.7152.7000108.2S270S270-I272 PolarHBondContact O-N 2.68Å
273G58.7Low57.3Low33 Ų33145.3 Ų145.334%0.3474%0.737SS.*  trans-78.4162.5165.600000111.1R271 G275 Y276R271-G273 PolarHBondContact O-N 3.29Å; R271-G273 VanDerWaalsContact O-N 3.16Å; G273-G275 PolarHBondContact O-N 2.94Å; G273-Y276 PolarHBondContact O-N 3.09Å
274P65.7Low57.9Low147 Ų147144.4 Ų144.496%0.95574%0.736SS**THydrogen-bonded Turntrans-58.8-11.6-177.723.4-33.7000114.9
275G68.3Low58.5Low76 Ų76144.6 Ų144.678%0.78473%0.734SS**THydrogen-bonded Turntrans-894.8174.300000116.1G273G273-G275 PolarHBondContact O-N 2.94Å
276Y69.3Low59.1Low175 Ų175143.7 Ų143.769%0.68673%0.729SS**  trans-98.39.7-177.3-88.6-91.7000114.9G273G273-Y276 PolarHBondContact O-N 3.09Å
277Y64.2Low59.7Low179 Ų179142.8 Ų142.870%0.70272%0.717SS**  trans-92110.3175-179.9-104.1000110.2P279Y277-P279 HydrophobicContact CD1-CB 4.28Å; Y277-P279 VanDerWaalsContact CE1-CA 3.41Å; Y277-P279 HydrophobicContact CE1-CB 3.66Å; Y277-P279 WeakPolarHBondContact O-CD 3.4Å
278D70.3Confident59.9Low148 Ų148138.6 Ų138.679%0.79170%0.701SS**  trans-81.5113160.8-108-15.8000107.9K280D278-K280 PolarHBondContact O-N 2.81Å
279P70.8Confident60.3Low66 Ų66143.1 Ų143.143%0.42971%0.71SS.*  trans-64.7101.4173.825.4-30.8000109.2Y277 Y281Y277-P279 HydrophobicContact CD1-CB 4.28Å; Y277-P279 VanDerWaalsContact CE1-CA 3.41Å; Y277-P279 HydrophobicContact CE1-CB 3.66Å; Y277-P279 WeakPolarHBondContact O-CD 3.4Å; P279-Y281 PolarHBondContact O-N 2.98Å; P279-Y281 VanDerWaalsContact O-N 3.1Å
280K69Low61.1Low187 Ų187138.1 Ų138.181%0.81369%0.694SS**  trans-69.6103.9161.1-68.8-171178.9-173.60107.2D278 L282D278-K280 PolarHBondContact O-N 2.81Å; K280-L282 PolarHBondContact O-N 3.1Å; K280-L282 VanDerWaalsContact O-N 3.14Å
281Y60.9Low61.4Low202 Ų202141.8 Ų141.879%0.79270%0.704SS**PPolyproline II helixtrans-58.4116.5163-67.4-85.9000106.7P279 D283P279-Y281 PolarHBondContact O-N 2.98Å; P279-Y281 VanDerWaalsContact O-N 3.1Å; Y281-D283 PolarHBondContact O-N 3.31Å
282L57.3Low61.8Low132 Ų132140 Ų14069%0.69171%0.705SS**PPolyproline II helixtrans-57.3123.3166.6-82.9154.3000106.2K280 D284 D286K280-L282 PolarHBondContact O-N 3.1Å; K280-L282 VanDerWaalsContact O-N 3.14Å; L282-D284 PolarHBondContact O-N 3.08Å; L282-D286 HydrophobicContact CD2-CB 4.26Å
283D58.1Low61.9Low126 Ų126135.8 Ų135.867%0.67469%0.691SS**PPolyproline II helixtrans-49.8133.9170.9-76.8-37.8000107.9Y281 K285 D286Y281-D283 PolarHBondContact O-N 3.31Å; D283-K285 PolarHBondContact O-N 3.01Å; D283-D286 PolarHBondContact O-N 3.05Å
284D59.4Low62Low142 Ų142137.9 Ų137.976%0.75970%0.699SS**THydrogen-bonded Turntrans-54.9-7.7-177.7-81.7-36.8000114.3L282L282-D284 PolarHBondContact O-N 3.08Å
285K60.5Low61.8Low193 Ų193133.4 Ų133.484%0.83967%0.67SS**THydrogen-bonded Turntrans-78-27.2175.5-62.8-85.8-179.81660112.8D283 K287D283-K285 PolarHBondContact O-N 3.01Å; K285-K287 VanDerWaalsContact C-N 3.28Å; K285-K287 PolarHBondContact O-N 3.15Å
286D57.5Low61.3Low113 Ų113138.9 Ų138.960%0.60467%0.672SS**  trans-94.641.4-179.5-73.6-13.5000112.2L282 D283 S288L282-D286 HydrophobicContact CD2-CB 4.26Å; D283-D286 PolarHBondContact O-N 3.05Å; D286-S288 PolarHBondContact O-N 2.7Å
287K53.6Low60.7Low146 Ų146139.4 Ų139.464%0.63569%0.686SS**  trans-55.8110.9168.3-78.2175.1-174.9176.30108K285 F289K285-K287 VanDerWaalsContact C-N 3.28Å; K285-K287 PolarHBondContact O-N 3.15Å; K287-F289 PolarHBondContact O-N 2.9Å; K287-F289 VanDerWaalsContact O-N 3.12Å
288S54Low60.2Low66 Ų66133.9 Ų133.946%0.46267%0.674SS.*  trans-44.6122.1-178.564.90000110.1D286 N290 H291D286-S288 PolarHBondContact O-N 2.7Å; S288-N290 PolarHBondContact O-N 3.12Å; S288-H291 PolarHBondContact O-CD2 2.91Å; S288-H291 PolarHBondContact O-N 3.08Å; S288-H291 PolarHBondContact OG-CE1 2.91Å; S288-H291 PolarHBondContact OG-NE2 2.74Å; S288-H291 VanDerWaalsContact OG-NE2 3.15Å
289F55.2Low59.7Low222 Ų222133 Ų13397%0.97468%0.679SS**G310 helixtrans-55.6-5.1177.3-92.7-93.7000113.7K287K287-F289 PolarHBondContact O-N 2.9Å; K287-F289 VanDerWaalsContact O-N 3.12Å
290N64.1Low59Low121 Ų121133.1 Ų133.165%0.64769%0.686SS**G310 helixtrans-93.38.7-174.9-143.92.3000114.9S288 Q292 A293S288-N290 PolarHBondContact O-N 3.12Å; N290-Q292 PolarHBondContact O-N 2.67Å; N290-A293 PolarHBondContact O-N 3.13Å; N290-A293 WeakPolarHBondContact OD1-CB 3.31Å
291H58.5Low58.3Low143 Ų143129 Ų12966%0.66268%0.681SS**G310 helixtrans-65.3-15.7176.7-69.8-62.5000114.1S288S288-H291 PolarHBondContact O-CD2 2.91Å; S288-H291 PolarHBondContact O-N 3.08Å; S288-H291 PolarHBondContact OG-CE1 2.91Å; S288-H291 PolarHBondContact OG-NE2 2.74Å; S288-H291 VanDerWaalsContact OG-NE2 3.15Å
292Q61.7Low58Low184 Ų184127.8 Ų127.886%0.8668%0.675SS**G310 helixtrans-98.7-10-178.9-70.7-175.3-12.600114.7N290 P294N290-Q292 PolarHBondContact O-N 2.67Å; Q292-P294 WeakPolarHBondContact O-CD 3.44Å
293A62.4Low57.8Low51 Ų51126.1 Ų126.142%0.42167%0.666SS.*SBendtrans-73.8125.9-179.300000110.9N290N290-A293 PolarHBondContact O-N 3.13Å; N290-A293 WeakPolarHBondContact OD1-CB 3.31Å
294P61.4Low57.6Low76 Ų76122.7 Ų122.749%0.49465%0.652SS.*PPolyproline II helixtrans-62.4130.9171.124.2-30.2000109Q292 F296 S298Q292-P294 WeakPolarHBondContact O-CD 3.44Å; P294-F296 PolarHBondContact O-N 3.41Å; P294-F296 VanDerWaalsContact O-N 3.14Å; P294-S298 WeakPolarHBondContact CB-O 3.47Å
295P62.3Low57.4Low54 Ų54122 Ų12235%0.35164%0.644SS.*SBendtrans-63.7118.8171.825.1-30.5000108.4
296F57.2Low57Low190 Ų190118.7 Ų118.783%0.83364%0.635SS**SBendtrans48.1100.4167.1-14.3-78.9000115.4P294 S298P294-F296 PolarHBondContact O-N 3.41Å; P294-F296 VanDerWaalsContact O-N 3.14Å; F296-S298 PolarHBondContact O-N 3.44Å
297L56.6Low56.9Low186 Ų186118.3 Ų118.397%0.97463%0.632SS**SBendtrans54.913162-60.3172.3000117.3
298S52.7Low57.1Low64 Ų64120.1 Ų120.145%0.44864%0.64SS.*  trans-89.2120176.1-162.60000110.8P294 F296 A300P294-S298 WeakPolarHBondContact CB-O 3.47Å; F296-S298 PolarHBondContact O-N 3.44Å; S298-A300 VanDerWaalsContact C-N 3.33Å
299S59.6Low57.2Low129 Ų129121.1 Ų121.190%0.90265%0.652SS**  trans-85.31.8176.252.10000114
300A56.4Low57.1Low68 Ų68114.9 Ų114.956%0.56264%0.636SS**  trans-80.6125.6-174.900000112.2S298 R302S298-A300 VanDerWaalsContact C-N 3.33Å; A300-R302 PolarHBondContact O-N 3.1Å
301S55.6Low56.4Low102 Ų102119.6 Ų119.671%0.71365%0.645SS**  trans-63.1127.8174.795.60000110.4N303S301-N303 VanDerWaalsContact C-N 3.35Å; S301-N303 PolarHBondContact O-N 3.05Å
302R53.1Low56.2Low175 Ų175122.1 Ų122.166%0.6666%0.657SS**  trans-86.273172.4-74.4-176.2156.8164.9-4.6110.1A300 S304A300-R302 PolarHBondContact O-N 3.1Å; R302-S304 PolarHBondContact O-N 3.34Å
303N53.3Low55.9Low97 Ų97116.9 Ų116.952%0.51964%0.641SS.*  trans-72.279.6156.6-92.7-3000108.2S301 H305S301-N303 VanDerWaalsContact C-N 3.35Å; S301-N303 PolarHBondContact O-N 3.05Å; N303-H305 VanDerWaalsContact C-N 3.28Å; N303-H305 PolarHBondContact O-N 3.05Å; N303-H305 PolarHBondContact OD1-CE1 3.2Å; N303-H305 PolarHBondContact OD1-NE2 3.19Å
304S54.9Low55.6Low54 Ų54118.4 Ų118.438%0.37865%0.647SS.*THydrogen-bonded Turntrans-74.7-13.5-173.656.30000113.9R302 L306 I307 F308R302-S304 PolarHBondContact O-N 3.34Å; S304-L306 PolarHBondContact O-N 2.73Å; S304-I307 PolarHBondContact O-N 3.34Å; S304-F308 WeakPolarHBondContact O-CD2 3.2Å; S304-F308 PolarHBondContact O-N 2.87Å
305H54.9Low55.5Low128 Ų128120.6 Ų120.659%0.59366%0.658SS**THydrogen-bonded Turntrans-65.2-25.8-179.413.1-76.8000112.5N303N303-H305 VanDerWaalsContact C-N 3.28Å; N303-H305 PolarHBondContact O-N 3.05Å; N303-H305 PolarHBondContact OD1-CE1 3.2Å; N303-H305 PolarHBondContact OD1-NE2 3.19Å
306L52.6Low55.2Low123 Ų123119 Ų11964%0.64465%0.651SS**THydrogen-bonded Turntrans-94.4-21.2177.1-76.8157.8000113.6S304S304-L306 PolarHBondContact O-N 2.73Å
307I55.4Low55.3Low105 Ų105116 Ų11654%0.53865%0.651SS.*THydrogen-bonded Turntrans-77.6-34.3-174.9-58.5175.7000111.2S304S304-I307 PolarHBondContact O-N 3.34Å
308F56.6Low55.8Low185 Ų185110.7 Ų110.781%0.81164%0.642SS**THydrogen-bonded Turntrans-88.8-20.9179.4-69-74000114.3S304S304-F308 WeakPolarHBondContact O-CD2 3.2Å; S304-F308 PolarHBondContact O-N 2.87Å
309A56.3Low56.3Low86 Ų86116.6 Ų116.671%0.71165%0.654SS**THydrogen-bonded Turntrans-93.2-17.7-173.500000115
310S52.5Low56.1Low92 Ų92119.1 Ų119.164%0.64365%0.645SS**SBendtrans-129-3.9-164.8172.30000116
311R51Low56.4Low219 Ų219120.6 Ų120.683%0.82664%0.644SS**  trans-115.685.8-179.9-70.2-175.2179.4-119.60.5110.8S313R311-S313 PolarHBondContact O-N 2.98Å
312Q53.6Low56.9Low197 Ų197119.9 Ų119.992%0.92164%0.638SS**  trans-64.489162.8-66.8-174.1-700108.1P314Q312-P314 WeakPolarHBondContact O-CD 3.49Å
313S54.5Low57.9Low74 Ų74117.2 Ų117.252%0.51763%0.633SS.*  trans-63.6124.1166.3171.60000108.2R311 V315R311-S313 PolarHBondContact O-N 2.98Å; S313-V315 PolarHBondContact O-N 3.41Å; S313-V315 WeakPolarHBondContact OG-CG2 2.97Å
314P57.3Low58.5Low83 Ų83115 Ų11554%0.53963%0.625SS.*SBendtrans-76.2-6.9-177.830.1-34.3000113.2Q312Q312-P314 WeakPolarHBondContact O-CD 3.49Å
315V58.2Low59Low122 Ų122118.7 Ų118.774%0.73963%0.632SS**  trans-106.7100.9-171.4-81.60000111.4S313S313-V315 PolarHBondContact O-N 3.41Å; S313-V315 WeakPolarHBondContact OG-CG2 2.97Å
316G56.9Low59.5Low20 Ų20117.3 Ų117.321%0.20663%0.629CS.*SBendtrans-168.7142167.600000110.4G318 R319G316-G318 PolarHBondContact O-N 3.48Å; G316-R319 PolarHBondContact O-N 3.46Å
317P60.3Low60.2Low126 Ų126120.7 Ų120.782%0.81863%0.633SS**THydrogen-bonded Turntrans-54.7129.1177.322.1-31.3000109.9
318G66.2Low60.7Low76 Ų76119.1 Ų119.178%0.78463%0.631SS**THydrogen-bonded Turntrans85.64.2-17800000116.3G316G316-G318 PolarHBondContact O-N 3.48Å
319R62.1Low60.7Low187 Ų187117 Ų11771%0.70662%0.618SS**  trans-113.821.6-178.2-60-178.5179.2-103.5-1.1114G316 N321G316-R319 PolarHBondContact O-N 3.46Å; R319-N321 PolarHBondContact O-N 3.39Å; R319-N321 VanDerWaalsContact O-N 3.08Å
320Y56.1Low60.5Low183 Ų183118 Ų11872%0.71862%0.619SS**  trans-73.2101.7179.3-55.7-75.2000109.7S322Y320-S322 PolarHBondContact O-N 2.76Å
321N62.6Low60.7Low99 Ų99120.5 Ų120.553%0.52962%0.623SS.*  trans-85.1102.3159.5-167.3-7.5000107.1R319 E323 S324 Y325R319-N321 PolarHBondContact O-N 3.39Å; R319-N321 VanDerWaalsContact O-N 3.08Å; N321-E323 PolarHBondContact O-N 2.88Å; N321-S324 WeakPolarHBondContact O-CB 3.49Å; N321-S324 PolarHBondContact O-N 3.07Å; N321-Y325 PolarHBondContact O-N 3.41Å
322S67Low60.7Low86 Ų86120.9 Ų120.960%0.60163%0.625SS**Hα-helixtrans-55.7-36.6-175.834.50000112.2Y320 S324 Y325 D326Y320-S322 PolarHBondContact O-N 2.76Å; S322-S324 PolarHBondContact O-N 3.12Å; S322-Y325 WeakPolarHBondContact O-CB 3.2Å; S322-Y325 PolarHBondContact O-N 2.99Å; S322-D326 PolarHBondContact O-N 3.16Å
323E73.9Confident60.7Low119 Ų119114.4 Ų114.456%0.55661%0.611SS**Hα-helixtrans-66.5-35.8176.4-64.7-173.7-178.800113.3N321 Y325 R327N321-E323 PolarHBondContact O-N 2.88Å; E323-Y325 VanDerWaalsContact C-N 3.33Å; E323-R327 PolarHBondContact O-N 3.3Å; E323-R327 IonicContact OE2-NH1 3.73Å
324S65.7Low60.8Low50 Ų50114.6 Ų114.635%0.3562%0.618SS.*Hα-helixtrans-70.9-34.1175.4-179.40000110.9N321 S322 R327 S328N321-S324 WeakPolarHBondContact O-CB 3.49Å; N321-S324 PolarHBondContact O-N 3.07Å; S322-S324 PolarHBondContact O-N 3.12Å; S324-R327 PolarHBondContact O-N 3.08Å; S324-S328 WeakPolarHBondContact O-CB 3.08Å; S324-S328 PolarHBondContact O-N 2.9Å; S324-S328 PolarHBondContact O-OG 3.22Å
325Y64.4Low60.6Low133 Ų133117 Ų11752%0.52262%0.623SS.*Hα-helixtrans-62.9-47.9179.1178.6-102000111N321 S322 E323 R327 S328 R329N321-Y325 PolarHBondContact O-N 3.41Å; S322-Y325 WeakPolarHBondContact O-CB 3.2Å; S322-Y325 PolarHBondContact O-N 2.99Å; E323-Y325 VanDerWaalsContact C-N 3.33Å; Y325-R327 VanDerWaalsContact C-N 3.33Å; Y325-R327 PolarHBondContact O-N 2.9Å; Y325-S328 WeakPolarHBondContact CA-OG 3.44Å; Y325-S328 CarbonylContact O-C 3.58Å; Y325-S328 PolarHBondContact O-N 2.74Å; Y325-S328 VanDerWaalsContact O-N 3.13Å; Y325-S328 PolarHBondContact O-OG 2.93Å; Y325-R329 HydrophobicContact CE1-CG 4.39Å; Y325-R329 PolarHBondContact O-N 2.89Å
326D67Low60.3Low99 Ų99115.8 Ų115.853%0.52962%0.619SS.*Hα-helixtrans-64.8-34.8178.9-76.7-27.7000113S322 R329S322-D326 PolarHBondContact O-N 3.16Å; D326-R329 IonicContact OD1-CZ 3.97Å; D326-R329 IonicContact OD1-NE 3.99Å; D326-R329 IonicContact OD1-NH1 3.88Å
327R66.2Low60.2Low193 Ų193119 Ų11973%0.72864%0.638SS**Hα-helixtrans-72.8-31.2173-67.5-174.4-167.5111.42113.5E323 S324 Y325E323-R327 PolarHBondContact O-N 3.3Å; E323-R327 IonicContact OE2-NH1 3.73Å; S324-R327 PolarHBondContact O-N 3.08Å; Y325-R327 VanDerWaalsContact C-N 3.33Å; Y325-R327 PolarHBondContact O-N 2.9Å
328S66.2Low60Low72 Ų72121.5 Ų121.550%0.50364%0.636SS.*Hα-helixtrans-85.2-8.9-18069.70000113.8S324 Y325 C330S324-S328 WeakPolarHBondContact O-CB 3.08Å; S324-S328 PolarHBondContact O-N 2.9Å; S324-S328 PolarHBondContact O-OG 3.22Å; Y325-S328 WeakPolarHBondContact CA-OG 3.44Å; Y325-S328 CarbonylContact O-C 3.58Å; Y325-S328 PolarHBondContact O-N 2.74Å; Y325-S328 VanDerWaalsContact O-N 3.13Å; Y325-S328 PolarHBondContact O-OG 2.93Å; S328-C330 PolarHBondContact O-N 3.03Å
329R56.7Low59.5Low141 Ų141123.6 Ų123.653%0.53263%0.63SS.*SBendtrans-57.1115.8169.5-83.6-176.7171.5173.9-2.3107.7Y325 D326 I331Y325-R329 HydrophobicContact CE1-CG 4.39Å; Y325-R329 PolarHBondContact O-N 2.89Å; D326-R329 IonicContact OD1-CZ 3.97Å; D326-R329 IonicContact OD1-NE 3.99Å; D326-R329 IonicContact OD1-NH1 3.88Å; R329-I331 VanDerWaalsContact C-N 3.29Å; R329-I331 PolarHBondContact O-N 3.34Å
330C52.8Low59.1Low108 Ų108118.8 Ų118.873%0.7363%0.625SS**  trans-56.5101.3163.8-70.50000107.1S328 W332 G333S328-C330 PolarHBondContact O-N 3.03Å; C330-W332 PolarHBondContact O-N 3.32Å; C330-G333 PolarHBondContact O-N 3.36Å
331I55.8Low59.4Low143 Ų143117.3 Ų117.373%0.73364%0.635SS**THydrogen-bonded Turntrans-53.2-19.3174.9-63.6166.7000110.1R329R329-I331 VanDerWaalsContact C-N 3.29Å; R329-I331 PolarHBondContact O-N 3.34Å
332W52Low59.4Low227 Ų227116.7 Ų116.786%0.8664%0.638SS**THydrogen-bonded Turntrans-1169.2-170.1-8118.9000116.6C330C330-W332 PolarHBondContact O-N 3.32Å
333G53.5Low59.2Low62 Ų62117 Ų11764%0.63964%0.641SS**SBendtrans-95.6-35.6-170.700000117C330C330-G333 PolarHBondContact O-N 3.36Å
334A56.1Low58.7Low78 Ų78116.7 Ų116.765%0.64566%0.658SS**SBendtrans-137.3-4.5-16600000115.1S337A334-S337 PolarHBondContact O-OG 3.06Å
335M52.5Low58.9Low134 Ų134122.5 Ų122.566%0.6667%0.673SS**SBendtrans-87.9-21.6175.1-75.4-177.465.100113.2S337 F338M335-S337 PolarHBondContact O-N 2.85Å; M335-F338 PolarHBondContact O-N 3.11Å
336C51.7Low59.3Low96 Ų96120.7 Ų120.765%0.64967%0.672SS**THydrogen-bonded Turntrans-67-10.7-175.8-59.80000114.9
337S55.2Low59.9Low88 Ų88118.6 Ų118.662%0.61567%0.665SS**THydrogen-bonded Turntrans-81.3-12.417941.90000114.7A334 M335A334-S337 PolarHBondContact O-OG 3.06Å; M335-S337 PolarHBondContact O-N 2.85Å
338F57.3Low60.6Low177 Ų177117.1 Ų117.178%0.77667%0.67SS**THydrogen-bonded Turntrans-122.7-6.9-177.3-62.7-72.4000114.9M335 S340M335-F338 PolarHBondContact O-N 3.11Å; F338-S340 VanDerWaalsContact C-N 3.28Å; F338-S340 PolarHBondContact O-N 3.17Å; F338-S340 VanDerWaalsContact O-N 3.07Å
339D54.4Low61.4Low120 Ų120121.9 Ų121.964%0.64268%0.682SS**  trans-86.470.2172.7-65.3-21.4000110.1T341D339-T341 PolarHBondContact O-N 3.25Å
340S54.9Low62.5Low87 Ų87119.7 Ų119.761%0.60868%0.678SS**  trans-71.6117.716759.70000109F338 S342F338-S340 VanDerWaalsContact C-N 3.28Å; F338-S340 PolarHBondContact O-N 3.17Å; F338-S340 VanDerWaalsContact O-N 3.07Å; S340-S342 PolarHBondContact O-N 2.92Å; S340-S342 VanDerWaalsContact O-N 3.14Å
341T61.1Low63.9Low151 Ų151116.7 Ų116.793%0.92666%0.656SS**  trans-63.1-11.4165.452.50000112.3D339 S343D339-T341 PolarHBondContact O-N 3.25Å; T341-S343 PolarHBondContact O-N 3.28Å
342S62.1Low65.1Low86 Ų86113.3 Ų113.360%0.60165%0.645SS**SBendtrans-68.4121172.3-46.10000110.4S340 A344S340-S342 PolarHBondContact O-N 2.92Å; S340-S342 VanDerWaalsContact O-N 3.14Å; S342-A344 PolarHBondContact O-N 3Å
343S63Low66.5Low93 Ų93107.8 Ų107.865%0.6563%0.629SS**  trans-46124.3167.5159.80000110.1T341 R345T341-S343 PolarHBondContact O-N 3.28Å; S343-R345 PolarHBondContact O-N 3.33Å; S343-R345 PolarHBondContact OG-N 3Å; S343-R345 VanDerWaalsContact OG-N 3.15Å; S343-R345 PolarHBondContact OG-O 3.02Å
344A64.9Low68Low112 Ų112108.5 Ų108.593%0.92662%0.618SS**SBendtrans-57.1-17.4174.200000113S342S342-A344 PolarHBondContact O-N 3Å
345R68.7Low69.2Low173 Ų173113.5 Ų113.565%0.65362%0.62SS**SBendtrans-100.9122.7175.9-63.8178.6175.5147.7-7.6109.6S343 A383S343-R345 PolarHBondContact O-N 3.33Å; S343-R345 PolarHBondContact OG-N 3Å; S343-R345 VanDerWaalsContact OG-N 3.15Å; S343-R345 PolarHBondContact OG-O 3.02Å; R345-A383 PolarHBondContact NH1-O 3.2Å; R345-A383 VanDerWaalsContact NH1-O 3.08Å; R345-A383 PolarHBondContact NH2-O 3.17Å
346L73.8Confident70.3Confident95 Ų95113.1 Ų113.150%0.49762%0.616SS.*PPolyproline II helixtrans-54.4143.4167-75.9152.5000109.8E350 T351 L354L346-E350 HydrophobicContact CB-CB 4.26Å; L346-E350 HydrophobicContact CD2-CB 3.92Å; L346-T351 HydrophobicContact CB-CG2 3.53Å; L346-L354 HydrophobicContact CD1-CD1 3.48Å; L346-L354 VanDerWaalsContact CD1-CD1 3.48Å; L346-L354 HydrophobicContact CD2-CD1 4.34Å
347S78.4Confident71.7Confident55 Ų55118.3 Ų118.339%0.38562%0.623SS.*PPolyproline II helixtrans-61.4157.6176.666.70000111.5K349 E350 T351S347-K349 PolarHBondContact O-N 3.42Å; S347-K349 VanDerWaalsContact O-N 3.12Å; S347-E350 WeakPolarHBondContact CB-OE2 3.49Å; S347-E350 PolarHBondContact N-OE2 2.89Å; S347-E350 PolarHBondContact O-N 3.02Å; S347-E350 VanDerWaalsContact O-N 3.07Å; S347-E350 WeakPolarHBondContact OG-CB 3.33Å; S347-E350 WeakPolarHBondContact OG-CG 3.36Å; S347-E350 PolarHBondContact OG-N 2.88Å; S347-E350 PolarHBondContact OG-OE2 3.34Å; S347-T351 WeakPolarHBondContact O-CG2 3.22Å; S347-T351 PolarHBondContact O-N 3.14Å; S347-T351 PolarHBondContact O-OG1 3.3Å; S347-T351 VanDerWaalsContact O-OG1 3.08Å
348L81.7Confident72.9Confident161 Ų161120.6 Ų120.684%0.84363%0.627SS**Hα-helixtrans-57.8-30.9-179.8-141.6104.1000112.5T351 S352L348-T351 VanDerWaalsContact CA-OG1 3.31Å; L348-T351 WeakPolarHBondContact CA-OG1 3.46Å; L348-T351 PolarHBondContact O-OG1 3.07Å; L348-S352 PolarHBondContact O-N 3.44Å
349K81.9Confident73.7Confident173 Ų173117.7 Ų117.775%0.75261%0.611SS**Hα-helixtrans-71.2-46.5174.9-76.6-176.1176.6178.80111.9S347 S352 Q353S347-K349 PolarHBondContact O-N 3.42Å; S347-K349 VanDerWaalsContact O-N 3.12Å; K349-S352 WeakPolarHBondContact O-CB 3.45Å; K349-S352 PolarHBondContact O-N 3.15Å; K349-Q353 WeakPolarHBondContact O-CG 3.35Å; K349-Q353 PolarHBondContact O-N 3.11Å; K349-Q353 VanDerWaalsContact O-N 3.11Å
350E80.3Confident74.7Confident94 Ų94116.1 Ų116.144%0.43961%0.607SS.*Hα-helixtrans-66.9-39.6179.4-70.5163.2151.100111.8L346 S347 S352 Q353 L354L346-E350 HydrophobicContact CB-CB 4.26Å; L346-E350 HydrophobicContact CD2-CB 3.92Å; S347-E350 WeakPolarHBondContact CB-OE2 3.49Å; S347-E350 PolarHBondContact N-OE2 2.89Å; S347-E350 PolarHBondContact O-N 3.02Å; S347-E350 VanDerWaalsContact O-N 3.07Å; S347-E350 WeakPolarHBondContact OG-CB 3.33Å; S347-E350 WeakPolarHBondContact OG-CG 3.36Å; S347-E350 PolarHBondContact OG-N 2.88Å; S347-E350 PolarHBondContact OG-OE2 3.34Å; E350-S352 VanDerWaalsContact C-N 3.29Å; E350-S352 PolarHBondContact O-N 3.35Å; E350-Q353 PolarHBondContact O-N 2.73Å; E350-L354 WeakPolarHBondContact O-CB 3.5Å; E350-L354 PolarHBondContact O-N 2.92Å
351T82Confident75.6Confident46 Ų46120.1 Ų120.128%0.28262%0.621SS.*Hα-helixtrans-62-37174.552.70000112L346 S347 L348 R355L346-T351 HydrophobicContact CB-CG2 3.53Å; S347-T351 WeakPolarHBondContact O-CG2 3.22Å; S347-T351 PolarHBondContact O-N 3.14Å; S347-T351 PolarHBondContact O-OG1 3.3Å; S347-T351 VanDerWaalsContact O-OG1 3.08Å; L348-T351 VanDerWaalsContact CA-OG1 3.31Å; L348-T351 WeakPolarHBondContact CA-OG1 3.46Å; L348-T351 PolarHBondContact O-OG1 3.07Å; T351-R355 WeakPolarHBondContact O-CB 3.02Å; T351-R355 WeakPolarHBondContact O-CG 3.3Å; T351-R355 PolarHBondContact O-N 2.97Å
352S80.7Confident76.1Confident72 Ų72120.4 Ų120.450%0.50362%0.617SS.*Hα-helixtrans-63.8-45.5173.3-173.90000112.1L348 K349 E350 R355 E356L348-S352 PolarHBondContact O-N 3.44Å; K349-S352 WeakPolarHBondContact O-CB 3.45Å; K349-S352 PolarHBondContact O-N 3.15Å; E350-S352 VanDerWaalsContact C-N 3.29Å; E350-S352 PolarHBondContact O-N 3.35Å; S352-R355 PolarHBondContact O-N 2.95Å; S352-E356 PolarHBondContact O-N 3.07Å
353Q83.3Confident76.4Confident110 Ų110117.6 Ų117.651%0.51460%0.596SS.*Hα-helixtrans-64.9-39.9178.3-69.3178.4-1.200112.2K349 E350 E356 R357K349-Q353 WeakPolarHBondContact O-CG 3.35Å; K349-Q353 PolarHBondContact O-N 3.11Å; K349-Q353 VanDerWaalsContact O-N 3.11Å; E350-Q353 PolarHBondContact O-N 2.73Å; Q353-E356 PolarHBondContact O-N 3.5Å; Q353-R357 PolarHBondContact O-N 3.3Å
354L83.3Confident76.8Confident77 Ų77117.2 Ų117.240%0.40359%0.59SS.*Hα-helixtrans-63.8-42.7174.8-109.7159.9000111.7L346 E350 E356 R357 L358L346-L354 HydrophobicContact CD1-CD1 3.48Å; L346-L354 VanDerWaalsContact CD1-CD1 3.48Å; L346-L354 HydrophobicContact CD2-CD1 4.34Å; E350-L354 WeakPolarHBondContact O-CB 3.5Å; E350-L354 PolarHBondContact O-N 2.92Å; L354-E356 VanDerWaalsContact C-N 3.3Å; L354-E356 PolarHBondContact O-N 3.38Å; L354-R357 PolarHBondContact O-N 2.87Å; L354-L358 HydrophobicContact CD2-CD1 4.43Å; L354-L358 WeakPolarHBondContact O-CG 3.49Å; L354-L358 PolarHBondContact O-N 3.14Å
355R81.4Confident77.1Confident184 Ų184120.5 Ų120.569%0.69458%0.583SS**Hα-helixtrans-62.7-36.1174.9-78.9179.1-179.31741.2112.6T351 S352 L358 R359T351-R355 WeakPolarHBondContact O-CB 3.02Å; T351-R355 WeakPolarHBondContact O-CG 3.3Å; T351-R355 PolarHBondContact O-N 2.97Å; S352-R355 PolarHBondContact O-N 2.95Å; R355-L358 PolarHBondContact O-N 3.32Å; R355-R359 PolarHBondContact O-N 3.45Å
356E77.3Confident77.2Confident125 Ų125118.4 Ų118.458%0.58459%0.586SS**Hα-helixtrans-70.1-37.9177.2-165167.2-144.700111.9S352 Q353 L354 R359S352-E356 PolarHBondContact O-N 3.07Å; Q353-E356 PolarHBondContact O-N 3.5Å; L354-E356 VanDerWaalsContact C-N 3.3Å; L354-E356 PolarHBondContact O-N 3.38Å; E356-R359 WeakPolarHBondContact O-CB 3.33Å; E356-R359 PolarHBondContact O-N 3.43Å
357R80.9Confident76.9Confident206 Ų206118.6 Ų118.678%0.77758%0.584SS**Hα-helixtrans-66.7-33.1173.5-77.7-177.5154127-2.1113.9Q353 L354 R359Q353-R357 PolarHBondContact O-N 3.3Å; L354-R357 PolarHBondContact O-N 2.87Å; R357-R359 PolarHBondContact O-N 3.3Å
358L78.9Confident76.3Confident135 Ų135121.5 Ų121.571%0.70759%0.589SS**THydrogen-bonded Turntrans-82.24.1177.9-67172.9000113.2L354 R355 P360L354-L358 HydrophobicContact CD2-CD1 4.43Å; L354-L358 WeakPolarHBondContact O-CG 3.49Å; L354-L358 PolarHBondContact O-N 3.14Å; R355-L358 PolarHBondContact O-N 3.32Å; L358-P360 WeakPolarHBondContact O-CD 3.39Å
359R74.7Confident75.6Confident116 Ų116116.8 Ų116.844%0.43857%0.57SS.*SBendtrans-65.6129.4174.4-93-180165.2163.7-9.2110.3R355 E356 R357 L361R355-R359 PolarHBondContact O-N 3.45Å; E356-R359 WeakPolarHBondContact O-CB 3.33Å; E356-R359 PolarHBondContact O-N 3.43Å; R357-R359 PolarHBondContact O-N 3.3Å; R359-L361 PolarHBondContact O-N 2.97Å
360P75.8Confident74.8Confident88 Ų88113.9 Ų113.957%0.57156%0.562SS**  trans-59.2129.7167.913.2-17.8000109.9L358 N362 V363L358-P360 WeakPolarHBondContact O-CD 3.39Å; P360-N362 VanDerWaalsContact C-N 3.25Å; P360-N362 PolarHBondContact O-N 2.95Å; P360-V363 HydrophobicContact CB-CG2 3.88Å; P360-V363 HydrophobicContact CG-CG2 3.55Å; P360-V363 WeakPolarHBondContact O-CG2 3.47Å
361L73.1Confident74.1Confident171 Ų171113.1 Ų113.190%0.89556%0.56SS**SBendtrans-67.9-24.6-178.2-79.9160.1000112.8R359R359-L361 PolarHBondContact O-N 2.97Å
362N73Confident73.3Confident157 Ų157114.5 Ų114.584%0.8457%0.566SS**  trans-122.367-172-64.3-28000111.7P360P360-N362 VanDerWaalsContact C-N 3.25Å; P360-N362 PolarHBondContact O-N 2.95Å
363V68Low72.5Confident27 Ų27116.6 Ų116.616%0.16457%0.572CS.*  trans-92.3127175.2-1740000110.1P360 E367 K368 I371P360-V363 HydrophobicContact CB-CG2 3.88Å; P360-V363 HydrophobicContact CG-CG2 3.55Å; P360-V363 WeakPolarHBondContact O-CG2 3.47Å; V363-E367 HydrophobicContact CG1-CB 3.38Å; V363-K368 HydrophobicContact CB-CG 4.05Å; V363-K368 HydrophobicContact CG1-CG 3.79Å; V363-K368 WeakPolarHBondContact O-CE 3.42Å; V363-I371 HydrophobicContact CG1-CD1 3.85Å; V363-I371 HydrophobicContact CG2-CD1 4.29Å
364T69.9Low71.4Confident85 Ų85116.4 Ų116.452%0.52157%0.574SS.*  trans-63153.117662.10000111.1N366 E367 K368T364-N366 PolarHBondContact O-N 3.05Å; T364-E367 PolarHBondContact N-OE2 3.25Å; T364-E367 PolarHBondContact O-N 2.96Å; T364-E367 VanDerWaalsContact OG1-CD 3.27Å; T364-E367 WeakPolarHBondContact OG1-CG 3.49Å; T364-E367 PolarHBondContact OG1-OE2 3.23Å; T364-K368 PolarHBondContact O-N 3.3Å
365F71.6Confident70.1Confident180 Ų180121 Ų12179%0.78959%0.586SS**Hα-helixtrans-58-35.1-173.9-161.6-90.1000112.8K368F365-K368 PolarHBondContact O-N 3.38Å
366N71.2Confident68.8Low130 Ų130117.2 Ų117.270%0.69559%0.588SS**Hα-helixtrans-68.9-31.3177.7-72.3-10.3000113.2T364 S369T364-N366 PolarHBondContact O-N 3.05Å; N366-S369 PolarHBondContact O-OG 3.32Å
367E68.5Low67.7Low99 Ų99121 Ų12146%0.46360%0.596SS.*Hα-helixtrans-80.6-26.9178.5-72.2170.8146.500112.2V363 T364 S369 L370 I371V363-E367 HydrophobicContact CG1-CB 3.38Å; T364-E367 PolarHBondContact N-OE2 3.25Å; T364-E367 PolarHBondContact O-N 2.96Å; T364-E367 VanDerWaalsContact OG1-CD 3.27Å; T364-E367 WeakPolarHBondContact OG1-CG 3.49Å; T364-E367 PolarHBondContact OG1-OE2 3.23Å; E367-S369 VanDerWaalsContact C-N 3.28Å; E367-S369 PolarHBondContact O-N 3.15Å; E367-L370 PolarHBondContact O-N 3.43Å; E367-I371 WeakPolarHBondContact O-CG1 3.35Å; E367-I371 PolarHBondContact O-N 3.34Å
368K65.8Low66.2Low115 Ų115115 Ų11550%0.559%0.591SS.*Hα-helixtrans-61.1-34.6177-75.6-178.3178.3174.20112.8V363 T364 F365 N372V363-K368 HydrophobicContact CB-CG 4.05Å; V363-K368 HydrophobicContact CG1-CG 3.79Å; V363-K368 WeakPolarHBondContact O-CE 3.42Å; T364-K368 PolarHBondContact O-N 3.3Å; F365-K368 PolarHBondContact O-N 3.38Å; K368-N372 PolarHBondContact O-N 3.49Å
369S65.7Low64.5Low63 Ų63115.2 Ų115.244%0.44159%0.592SS.*Hα-helixtrans-70.5-41177.863.60000111.9N366 E367 N372 N373N366-S369 PolarHBondContact O-OG 3.32Å; E367-S369 VanDerWaalsContact C-N 3.28Å; E367-S369 PolarHBondContact O-N 3.15Å; S369-N372 PolarHBondContact O-N 3.48Å; S369-N373 WeakPolarHBondContact O-CB 3.37Å; S369-N373 PolarHBondContact O-N 2.99Å
370L66.1Low63Low112 Ų112115.2 Ų115.259%0.58661%0.607SS**Hα-helixtrans-62.5-43175.3-87.2145.3000112.3E367 N372 N373 N374E367-L370 PolarHBondContact O-N 3.43Å; L370-N372 VanDerWaalsContact C-N 3.34Å; L370-N372 PolarHBondContact O-N 3.24Å; L370-N373 PolarHBondContact O-N 3.41Å; L370-N374 PolarHBondContact O-N 3.18Å; L370-N374 PolarHBondContact O-ND2 3.28Å
371I65.1Low61.3Low78 Ų78118.8 Ų118.840%0.462%0.62SS.*Hα-helixtrans-66.3-38.3178.5-63.9168.6000111.1V363 E367V363-I371 HydrophobicContact CG1-CD1 3.85Å; V363-I371 HydrophobicContact CG2-CD1 4.29Å; E367-I371 WeakPolarHBondContact O-CG1 3.35Å; E367-I371 PolarHBondContact O-N 3.34Å
372N65.8Low59.7Low74 Ų74118.7 Ų118.740%0.39662%0.619SS.*Hα-helixtrans-72.5-33.9178.5-79.8-19.7000112.7K368 S369 L370 N374 R375K368-N372 PolarHBondContact O-N 3.49Å; S369-N372 PolarHBondContact O-N 3.48Å; L370-N372 VanDerWaalsContact C-N 3.34Å; L370-N372 PolarHBondContact O-N 3.24Å; N372-N374 VanDerWaalsContact C-N 3.33Å; N372-N374 PolarHBondContact O-N 3.48Å; N372-R375 WeakPolarHBondContact O-CB 3.4Å; N372-R375 PolarHBondContact O-N 3.33Å
373N63Low57.9Low117 Ų117117.3 Ų117.363%0.62663%0.629SS**Hα-helixtrans-71.2-27177.8-75-10.1000113.1S369 L370 R375 S376S369-N373 WeakPolarHBondContact O-CB 3.37Å; S369-N373 PolarHBondContact O-N 2.99Å; L370-N373 PolarHBondContact O-N 3.41Å; N373-R375 PolarHBondContact O-N 3.35Å; N373-S376 PolarHBondContact O-OG 2.96Å
374N60.8Low57.4Low106 Ų106121.9 Ų121.957%0.56765%0.653SS**G310 helixtrans-76.3-6.1175.8-73.6-23.4000113.9L370 N372 S376 R377L370-N374 PolarHBondContact O-N 3.18Å; L370-N374 PolarHBondContact O-ND2 3.28Å; N372-N374 VanDerWaalsContact C-N 3.33Å; N372-N374 PolarHBondContact O-N 3.48Å; N374-S376 PolarHBondContact O-N 3.06Å; N374-R377 PolarHBondContact O-N 2.83Å
375R55.3Low56.7Low173 Ų173123.8 Ų123.865%0.65366%0.66SS**G310 helixtrans-62.1-24.4177.4-76.6177.7162.5-174.7-11.1113.9N372 N373N372-R375 WeakPolarHBondContact O-CB 3.4Å; N372-R375 PolarHBondContact O-N 3.33Å; N373-R375 PolarHBondContact O-N 3.35Å
376S55.3Low55.9Low104 Ų104120.7 Ų120.773%0.72765%0.652SS**G310 helixtrans-91.8-5.3-174.853.20000114.7N373 N374N373-S376 PolarHBondContact O-OG 2.96Å; N374-S376 PolarHBondContact O-N 3.06Å
377R53.9Low55Low204 Ų204120.1 Ų120.177%0.7765%0.65SS**  trans-108.417.7-172.2-70.6-172.5176-178.2-0.9115.6N374 I379N374-R377 PolarHBondContact O-N 2.83Å; R377-I379 PolarHBondContact O-N 3.38Å
378A48.3Very low54.2Low81 Ų81121.4 Ų121.467%0.66966%0.661SS**  trans-7395.4174.100000110.6
379I44.6Very low53.4Low139 Ų139121.9 Ų121.971%0.71367%0.672SS**  trans-56.7130.3172.1-60.9163.6000109.2R377 L381R377-I379 PolarHBondContact O-N 3.38Å; I379-L381 HydrophobicContact CG2-CG 4.48Å; I379-L381 PolarHBondContact O-N 3.03Å; I379-L381 VanDerWaalsContact O-N 3.17Å
380P43Very low52.5Low116 Ų116126.1 Ų126.175%0.75369%0.689SS**  trans-74.7102.8167.129.8-28.8000108.3I382P380-I382 PolarHBondContact O-N 3.44Å
381L40.3Very low51.5Low163 Ų163127.2 Ų127.285%0.85370%0.697SS**  trans-79.6117.4168.2-83.8167.3000109.2I379I379-L381 HydrophobicContact CG2-CG 4.48Å; I379-L381 PolarHBondContact O-N 3.03Å; I379-L381 VanDerWaalsContact O-N 3.17Å
382I37.9Very low50.3Low170 Ų170131.3 Ų131.387%0.87272%0.721SS**  trans-51.8122.9174.2-64.5155.2000110.5P380P380-I382 PolarHBondContact O-N 3.44Å
383A35.9Very low48.9Very low128 Ų128136.5 Ų136.5100%1.05875%0.751SS**  trans-170.20155.200000110.6R345R345-A383 PolarHBondContact NH1-O 3.2Å; R345-A383 VanDerWaalsContact NH1-O 3.08Å; R345-A383 PolarHBondContact NH2-O 3.17Å

Retrieved 383 of 383 residues in 451.9 ms (Link to these results)