A0A077ZL71_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZL71, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 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
1M41.4Very low31.3Very low244 Ų244152.1 Ų152.1100%1.20281%0.806SS**  0114.30-75.8178.4175.800107
2H29Very low31.6Very low182 Ų182150.4 Ų150.484%0.84381%0.811SS**  trans-74.5139.2167.1-90.6-90000108.8
3V40.1Very low31.1Very low139 Ų139146.2 Ų146.284%0.84280%0.799SS**  trans-135.2109.2157177.80000106.4
4E26.9Very low30.7Very low157 Ų157148.9 Ų148.973%0.73480%0.799SS**  trans-101.4177161-77-176.4152.600108.7
5T34.2Very low30.9Very low134 Ų134148.9 Ų148.982%0.82280%0.799SS**  trans92.1142.3171.171.20000115.4
6S29.1Very low30.6Very low81 Ų81151.4 Ų151.457%0.56681%0.805SS**  cis-179.7169.2-24.149.20000106
7D32.2Very low30.4Very low142 Ų142147.9 Ų147.976%0.75980%0.795SS**  trans74.9148.4150.2-59.7-27.4000119.1
8T27.2Very low30.4Very low110 Ų110147.4 Ų147.468%0.67579%0.792SS**  cis-171.4145.1-6.1-86.10000108
9T26.7Very low30.3Very low113 Ų113149.5 Ų149.569%0.69379%0.793SS**  trans12.3129.4150.3-31.60000122.2
10E33.8Very low30Very low194 Ų194146.6 Ų146.691%0.90779%0.786SS**  trans-135.6119.9142.8-82.8-169.3162.800111
11Q23.7Very low29.9Very low177 Ų177147.5 Ų147.583%0.82779%0.789SS**  trans-96.2142.7161.9-72.9-165.3-35.200108.9
12P34.5Very low29.1Very low132 Ų132140.7 Ų140.786%0.85777%0.765SS**  trans-101137.615532.7-23.9000110.7
13S25.4Very low29.1Very low95 Ų95137.4 Ų137.466%0.66476%0.763SS**  trans-114.7149.9-175.964.40000111.4
14K26.2Very low28.4Very low184 Ų184138.1 Ų138.180%0.876%0.757SS**  trans78.4123150.2-66.7175.3179.6-175.10119.7
15D33.9Very low28.3Very low149 Ų149138 Ų13880%0.79775%0.754SS**  174.5107.9115.9-77.9-17.8000106.3
16E25.8Very low28Very low190 Ų190137.9 Ų137.989%0.88875%0.748SS**  37.2128.186.3-78.7-169.3175.500112.8
17S26.4Very low27.8Very low92 Ų92142.4 Ų142.464%0.64376%0.761SS**  cis-170.9172.129.355.30000111.5
18D31.4Very low27.7Very low138 Ų138142.1 Ų142.174%0.73876%0.764SS**  trans82.2104.6152.2-53.3-40.3000120.9
19K27.7Very low27.7Very low187 Ų187141.2 Ų141.281%0.81377%0.767SS**  77.2102.677.1-110.9-174.2177.6172.20115.6
20S23.5Very low27.9Very low92 Ų92147.4 Ų147.464%0.64378%0.778SS**  50.1127.513056.20000121.2
21I29.7Very low27.5Very low165 Ų165146.9 Ų146.985%0.84678%0.775SS**  -174143.5111.9-88.2151.7000111
22S24.5Very low27.8Very low101 Ų101144.4 Ų144.471%0.70678%0.775SS**  trans-73153.4176.351.20000116.3
23S28.7Very low27.5Very low114 Ų114147.4 Ų147.480%0.79777%0.774SS**  trans168.9113.3137.137.30000106.9
24E25.4Very low27.5Very low154 Ų154151.4 Ų151.472%0.7278%0.78SS**  61.6112.877.1-163170.9179.800114.6
25K25.4Very low27.7Very low155 Ų155148.1 Ų148.167%0.67478%0.78SS**  trans91126.6147.9-86.1172.2-179.2148.30122.5
26D26.4Very low27.5Very low131 Ų131147.8 Ų147.870%0.70178%0.778SS**  trans83.8102.6139.1-54-21.9000120.8
27E25.3Very low27.9Very low176 Ų176142.8 Ų142.882%0.82277%0.769SS**  47.5112.5116.3-152.2178.6-17700118.3
28V29.4Very low28.2Very low136 Ų136149.8 Ų149.882%0.82478%0.782SS**  168.9134.2119.8158.40000110
29A27.2Very low28.2Very low91 Ų91149.2 Ų149.275%0.75278%0.783SS**  trans-47.1133.2-17600000117
30R31.1Very low28.6Very low243 Ų243148.6 Ų148.692%0.91778%0.783SS**  trans-147.8132.7145.2-71.6-164.8175.5169.7-2.1111.1
31E25.5Very low29Very low182 Ų182153 Ų15385%0.8579%0.793SS**PPolyproline II helixtrans-52.5137.5176.3-58.9-175.315600113.4
32P29.8Very low28.9Very low125 Ų125150.9 Ų150.981%0.81279%0.792SS**PPolyproline II helixtrans-101.3120.6161.632.5-23.7000110.8
33K28.5Very low29.5Very low196 Ų196154.5 Ų154.585%0.85280%0.798SS**PPolyproline II helixtrans-64.3133.6163.7-67.3-174.7175.1-1800110.4
34K25.2Very low30.1Very low179 Ų179154.8 Ų154.878%0.77880%0.795SS**  trans50.1107.3138-143.7-179.3-171.2-1730117.8
35S31.9Very low30.8Very low114 Ų114153.3 Ų153.380%0.79780%0.796SS**  trans-143.7107.2144.360.60000109.6A37S35-A37 PolarHBondContact O-N 3.12Å; S35-A37 VanDerWaalsContact O-N 3.12Å
36D29.4Very low31.5Very low143 Ų143155.1 Ų155.177%0.76580%0.803SS**  trans-64.399.5170.9-62.7-58.9000109.2
37A34.6Very low32.3Very low85 Ų85153.6 Ų153.670%0.70280%0.803SS**  trans-113.985.1168.500000108.2S35 T39S35-A37 PolarHBondContact O-N 3.12Å; S35-A37 VanDerWaalsContact O-N 3.12Å; A37-T39 PolarHBondContact O-N 2.98Å
38R30.9Very low33.3Very low239 Ų239154.6 Ų154.690%0.90281%0.805SS**  trans-68.294.5170.3-172.8178.9-174.7177.3-0.1107.2E40R38-E40 PolarHBondContact O-N 3.02Å
39T33Very low34.2Very low125 Ų125156.9 Ų156.977%0.76781%0.807SS**  trans-61.6103.7171.5-53.70000108.5A37 Q41A37-T39 PolarHBondContact O-N 2.98Å; T39-Q41 PolarHBondContact O-N 3.13Å; T39-Q41 VanDerWaalsContact O-N 3.13Å
40E36.1Very low35.2Very low174 Ų174161.3 Ų161.381%0.81381%0.812SS**  trans-60.9110.1169.7-64.6-175.5163.500108.1R38 C42R38-E40 PolarHBondContact O-N 3.02Å; E40-C42 PolarHBondContact O-N 2.97Å
41Q30.2Very low36.4Very low184 Ų184157.2 Ų157.286%0.8681%0.806SS**  trans-70.8116168.6-67-171.5-2.800107.6T39 E43T39-Q41 PolarHBondContact O-N 3.13Å; T39-Q41 VanDerWaalsContact O-N 3.13Å; Q41-E43 PolarHBondContact O-N 3.3Å
42C27.9Very low37.6Very low121 Ų121153.7 Ų153.782%0.81880%0.8SS**  trans-60.4102.1167.4-66.40000109.1E40 V44E40-C42 PolarHBondContact O-N 2.97Å; C42-V44 PolarHBondContact O-N 3.04Å
43E37.2Very low39.2Very low177 Ų177157.1 Ų157.183%0.82780%0.801SS**  trans-71.696.1172.3-164.6175.7-169.800108.7Q41 V45Q41-E43 PolarHBondContact O-N 3.3Å; E43-V45 PolarHBondContact O-N 3.05Å
44V40.9Very low41.4Very low121 Ų121153.6 Ų153.673%0.73380%0.796SS**  trans-72.198.3172.9178.80000108.1C42 K46C42-V44 PolarHBondContact O-N 3.04Å; V44-K46 PolarHBondContact O-N 2.75Å
45V41.1Very low43.8Very low123 Ų123151.9 Ų151.975%0.74579%0.794SS**  trans-61.4102.8174.2-179.90000109.3E43 S47E43-V45 PolarHBondContact O-N 3.05Å; V45-S47 PolarHBondContact O-N 3.08Å; V45-S47 VanDerWaalsContact O-N 3.11Å
46K39.8Very low45.3Very low192 Ų192151.1 Ų151.184%0.83578%0.78SS**  trans-74.995.6171-68179.8-177.9175.70108.8V44 K48V44-K46 PolarHBondContact O-N 2.75Å; K46-K48 PolarHBondContact O-N 3.01Å
47S43.5Very low47.1Very low100 Ų100150.2 Ų150.270%0.69978%0.782SS**  trans-61.6121.7169.9560000109.7V45 Q49V45-S47 PolarHBondContact O-N 3.08Å; V45-S47 VanDerWaalsContact O-N 3.11Å; S47-Q49 PolarHBondContact O-N 3.15Å
48K45.4Very low48.5Very low197 Ų197152.8 Ų152.886%0.85778%0.778SS**  trans-56.7112.9171.4-76177.1177.4175.80108.5K46 E50K46-K48 PolarHBondContact O-N 3.01Å; K48-E50 PolarHBondContact O-N 3.2Å; K48-E50 VanDerWaalsContact O-N 3.09Å
49Q48.6Very low50.2Low183 Ų183146.9 Ų146.986%0.85577%0.768SS**  trans-66.6107.5168.7-72.5178.9-20.800107.7S47 I51S47-Q49 PolarHBondContact O-N 3.15Å; Q49-I51 PolarHBondContact O-N 3.11Å
50E49.4Very low51.3Low184 Ų184142.7 Ų142.786%0.8674%0.741SS**PPolyproline II helixtrans-68.6117.7173.6-67.6-171.4161.900108.8K48K48-E50 PolarHBondContact O-N 3.2Å; K48-E50 VanDerWaalsContact O-N 3.09Å
51I54.6Low52.4Low157 Ų157139 Ų13981%0.80573%0.732SS**PPolyproline II helixtrans-66.1124.5175.5-58.8167.7000107.1Q49 K53Q49-I51 PolarHBondContact O-N 3.11Å; I51-K53 PolarHBondContact O-N 3.49Å; I51-K53 VanDerWaalsContact O-N 3.16Å
52P52.2Low53.7Low109 Ų109138.7 Ų138.771%0.70872%0.723SS**PPolyproline II helixtrans-61.1122.8-179.323-31.7000109.8V54P52-V54 PolarHBondContact O-N 2.71Å
53K62.5Low55Low196 Ų196139.3 Ų139.385%0.85271%0.714SS**  trans-70.397.4179.9-158.2175.6-172.7179.60108.4I51 I55I51-K53 PolarHBondContact O-N 3.49Å; I51-K53 VanDerWaalsContact O-N 3.16Å; K53-I55 PolarHBondContact O-N 2.75Å; K53-I55 VanDerWaalsContact O-N 3.1Å
54V75.2Confident55.7Low123 Ų123134.9 Ų134.975%0.74570%0.702SS**  trans-69.4105.9175-178.70000108.2P52 I56P52-V54 PolarHBondContact O-N 2.71Å; V54-I56 HydrophobicContact CG1-CG1 4.32Å; V54-I56 PolarHBondContact O-N 3.34Å
55I75.1Confident56.4Low143 Ų143136.8 Ų136.873%0.73370%0.701SS**  trans-84.2106.3173.2-59.7174.4000106.8K53 P57K53-I55 PolarHBondContact O-N 2.75Å; K53-I55 VanDerWaalsContact O-N 3.1Å; I55-P57 WeakPolarHBondContact O-CD 3.49Å
56I64.1Low56.9Low97 Ų97136.5 Ų136.550%0.49770%0.701SS.*  trans-77.1120.5171.3-62170.2000107.1V54 F58V54-I56 HydrophobicContact CG1-CG1 4.32Å; V54-I56 PolarHBondContact O-N 3.34Å; I56-F58 HydrophobicContact CG2-CD1 3.81Å; I56-F58 HydrophobicContact CG2-CE1 3.59Å; I56-F58 HydrophobicContact CG2-CE2 4.46Å; I56-F58 HydrophobicContact CG2-CG 4.33Å; I56-F58 HydrophobicContact CG2-CZ 3.94Å; I56-F58 PolarHBondContact O-N 3.44Å
57P67.4Low57.4Low125 Ų125132.5 Ų132.581%0.81270%0.696SS**SBendtrans-75.211.1-168.829-35.4000115.2I55I55-P57 WeakPolarHBondContact O-CD 3.49Å
58F63.7Low57.9Low138 Ų138134.9 Ų134.961%0.60570%0.7SS**SBendtrans-136.2142.8174.960.8-86.5000111.5I56 L60I56-F58 HydrophobicContact CG2-CD1 3.81Å; I56-F58 HydrophobicContact CG2-CE1 3.59Å; I56-F58 HydrophobicContact CG2-CE2 4.46Å; I56-F58 HydrophobicContact CG2-CG 4.33Å; I56-F58 HydrophobicContact CG2-CZ 3.94Å; I56-F58 PolarHBondContact O-N 3.44Å; F58-L60 HydrophobicContact CD2-CD2 4.01Å; F58-L60 HydrophobicContact CE2-CD2 3.47Å; F58-L60 VanDerWaalsContact CE2-CD2 3.47Å; F58-L60 HydrophobicContact CZ-CD2 4.31Å; F58-L60 PolarHBondContact O-N 3Å
59V65.8Low58.4Low115 Ų115133 Ų13370%0.69770%0.695SS**  trans-74.2115.1-179.9-179.90000108.4P61V59-P61 VanDerWaalsContact O-CD 3.25Å; V59-P61 WeakPolarHBondContact O-CD 3.49Å; V59-P61 VanDerWaalsContact O-N 3.16Å
60L56.3Low58.9Low37 Ų37128.9 Ų128.919%0.19468%0.679CS.*  trans-64.2112.9174.6-61.6178.2000108.8F58 W62 E63F58-L60 HydrophobicContact CD2-CD2 4.01Å; F58-L60 HydrophobicContact CE2-CD2 3.47Å; F58-L60 VanDerWaalsContact CE2-CD2 3.47Å; F58-L60 HydrophobicContact CZ-CD2 4.31Å; F58-L60 PolarHBondContact O-N 3Å; L60-W62 HydrophobicContact CB-CD2 4.33Å; L60-W62 HydrophobicContact CB-CE3 4.23Å; L60-W62 HydrophobicContact CB-CH2 4.04Å; L60-W62 HydrophobicContact CB-CZ2 4.09Å; L60-W62 HydrophobicContact CB-CZ3 4.08Å; L60-W62 HydrophobicContact CD1-CH2 4.1Å; L60-W62 HydrophobicContact CD1-CZ2 3.85Å; L60-W62 HydrophobicContact CD2-CH2 3.6Å; L60-W62 HydrophobicContact CD2-CZ2 4.21Å; L60-W62 HydrophobicContact CD2-CZ3 3.97Å; L60-W62 HydrophobicContact CG-CH2 4.11Å; L60-W62 HydrophobicContact CG-CZ2 4.26Å; L60-W62 PolarHBondContact O-N 2.9Å; L60-E63 HydrophobicContact CB-CB 4.45Å; L60-E63 HydrophobicContact CB-CG 3.99Å; L60-E63 HydrophobicContact CD1-CG 4.34Å; L60-E63 WeakPolarHBondContact CD1-OE1 3.12Å; L60-E63 PolarHBondContact O-N 3.13Å
61P59.4Low59.7Low97 Ų97127.3 Ų127.363%0.6367%0.671SS**THydrogen-bonded Turntrans-66.1-12.8-165.721.9-31.3000114.4V59V59-P61 VanDerWaalsContact O-CD 3.25Å; V59-P61 WeakPolarHBondContact O-CD 3.49Å; V59-P61 VanDerWaalsContact O-N 3.16Å
62W56.9Low59.9Low178 Ų178127.5 Ų127.567%0.67467%0.668SS**THydrogen-bonded Turntrans-97.8-14.9-179.769.885.7000114.5L60L60-W62 HydrophobicContact CB-CD2 4.33Å; L60-W62 HydrophobicContact CB-CE3 4.23Å; L60-W62 HydrophobicContact CB-CH2 4.04Å; L60-W62 HydrophobicContact CB-CZ2 4.09Å; L60-W62 HydrophobicContact CB-CZ3 4.08Å; L60-W62 HydrophobicContact CD1-CH2 4.1Å; L60-W62 HydrophobicContact CD1-CZ2 3.85Å; L60-W62 HydrophobicContact CD2-CH2 3.6Å; L60-W62 HydrophobicContact CD2-CZ2 4.21Å; L60-W62 HydrophobicContact CD2-CZ3 3.97Å; L60-W62 HydrophobicContact CG-CH2 4.11Å; L60-W62 HydrophobicContact CG-CZ2 4.26Å; L60-W62 PolarHBondContact O-N 2.9Å
63E55.4Low60.5Low134 Ų134126 Ų12663%0.62667%0.673SS**THydrogen-bonded Turntrans-88.8-24.2-173.9-63.2-167.3168.700113.5L60L60-E63 HydrophobicContact CB-CB 4.45Å; L60-E63 HydrophobicContact CB-CG 3.99Å; L60-E63 HydrophobicContact CD1-CG 4.34Å; L60-E63 WeakPolarHBondContact CD1-OE1 3.12Å; L60-E63 PolarHBondContact O-N 3.13Å
64S53.1Low60.7Low83 Ų83122 Ų12258%0.5866%0.659SS**SBendtrans-97.54.1-167.760.60000115.6
65K55.1Low60.1Low162 Ų162120.7 Ų120.770%0.70465%0.651SS**SBendtrans-103.3128.7170.6-69.3178.4-178.11650108.5C67K65-C67 PolarHBondContact O-N 3.3Å
66P50.6Low59.8Low117 Ų117117.2 Ų117.276%0.7664%0.644SS**  trans-57.3100.9159.425.4-30.6000105.9L68P66-L68 PolarHBondContact O-N 3.02Å
67C52.2Low59.8Low108 Ų108121.9 Ų121.973%0.7366%0.661SS**  trans-66.792.8163.6-179.10000103.6K65 Q69K65-C67 PolarHBondContact O-N 3.3Å; C67-Q69 PolarHBondContact O-N 3.07Å
68L54Low59.4Low149 Ų149118 Ų11878%0.7864%0.643SS**  trans-55.199156.1-68.2171.9000103.2P66 N70P66-L68 PolarHBondContact O-N 3.02Å; L68-N70 PolarHBondContact O-N 3.22Å
69Q55.9Low59.4Low159 Ų159113.2 Ų113.274%0.74363%0.627SS**  trans-65.884.8178.9-166.3175.1-7.300105.2C67 Q71C67-Q69 PolarHBondContact O-N 3.07Å; Q69-Q71 PolarHBondContact O-N 3.06Å
70N58.9Low59Low96 Ų96112 Ų11251%0.51362%0.623SS.*  trans-71.7133.2-177.956.54.4000105.9L68 H72L68-N70 PolarHBondContact O-N 3.22Å; N70-H72 HydrophobicContact CB-CB 4.4Å; N70-H72 PolarHBondContact O-N 3.35Å
71Q65.5Low59Low150 Ų150120.3 Ų120.370%0.70165%0.652SS**  trans-64.80.5176.6-164-178.5-12.200111.8Q69 G73 M74Q69-Q71 PolarHBondContact O-N 3.06Å; Q71-G73 PolarHBondContact O-N 3.27Å; Q71-G73 VanDerWaalsContact O-N 3.08Å; Q71-M74 HydrophobicContact CG-CB 3.82Å; Q71-M74 WeakPolarHBondContact O-CB 3.49Å; Q71-M74 PolarHBondContact O-N 2.82Å
72H58.5Low58.9Low161 Ų161120.9 Ų120.975%0.74565%0.649SS**THydrogen-bonded Turntrans-57.6114.5176.1-67.2-57.5000110.3N70N70-H72 HydrophobicContact CB-CB 4.4Å; N70-H72 PolarHBondContact O-N 3.35Å
73G65.8Low58.9Low79 Ų79117 Ų11781%0.81466%0.655SS**THydrogen-bonded Turntrans90.1-10.8-17600000115.1Q71 T75Q71-G73 PolarHBondContact O-N 3.27Å; Q71-G73 VanDerWaalsContact O-N 3.08Å; G73-T75 PolarHBondContact O-N 3.03Å
74M65.6Low58.9Low112 Ų112115.3 Ų115.355%0.55265%0.654SS**  trans-78.8105.7172-65.6-173.168.700110.2Q71Q71-M74 HydrophobicContact CG-CB 3.82Å; Q71-M74 WeakPolarHBondContact O-CB 3.49Å; Q71-M74 PolarHBondContact O-N 2.82Å
75T62Low58.7Low94 Ų94117.8 Ų117.858%0.57767%0.666SS**PPolyproline II helixtrans-85152.9171.4-28.90000110.8G73 S79G73-T75 PolarHBondContact O-N 3.03Å; T75-S79 WeakPolarHBondContact CG2-OG 3.33Å
76A70.3Confident58.3Low71 Ų71117.6 Ų117.659%0.58767%0.665SS**PPolyproline II helixtrans-49.9149.4175.400000112.2G78 S79A76-G78 PolarHBondContact O-N 2.66Å; A76-S79 WeakPolarHBondContact O-CB 3.45Å; A76-S79 PolarHBondContact O-N 3.34Å; A76-S79 PolarHBondContact O-OG 3.42Å
77F64.3Low58Low194 Ų194115.4 Ų115.485%0.85166%0.657SS**THydrogen-bonded Turntrans-54.2125.2176.5-70.3-73.7000110.7
78G59Low57.6Low43 Ų43117.8 Ų117.844%0.44366%0.66SS.*THydrogen-bonded Turntrans87.3-2.7-17900000115.5A76 S120A76-G78 PolarHBondContact O-N 2.66Å; G78-S120 WeakPolarHBondContact O-CA 3.44Å; G78-S120 WeakPolarHBondContact O-CB 3.09Å
79S62.5Low57.1Low38 Ų38116.8 Ų116.827%0.26666%0.656SS.*  trans-66.8143.6169.3-66.70000111.1T75 A76 R81T75-S79 WeakPolarHBondContact CG2-OG 3.33Å; A76-S79 WeakPolarHBondContact O-CB 3.45Å; A76-S79 PolarHBondContact O-N 3.34Å; A76-S79 PolarHBondContact O-OG 3.42Å; S79-R81 PolarHBondContact O-N 3.22Å; S79-R81 VanDerWaalsContact O-N 3.07Å
80C58.2Low56.5Low91 Ų91116.3 Ų116.362%0.61566%0.664SS**  trans-59113.9179.8-60.60000110.1
81R55.4Low55.7Low211 Ų211116 Ų11680%0.79668%0.683SS**  trans-78.9125.5167.3-66.7-176.7177.5176.4-1.5107.5S79 A83S79-R81 PolarHBondContact O-N 3.22Å; S79-R81 VanDerWaalsContact O-N 3.07Å; R81-A83 PolarHBondContact O-N 3.26Å
82N57.5Low54.5Low108 Ų108111.3 Ų111.358%0.57868%0.676SS**  trans-70.9102166.5-1734.1000107.5V84N82-V84 PolarHBondContact O-N 2.83Å; N82-V84 WeakPolarHBondContact OD1-CB 3.18Å; N82-V84 PolarHBondContact OD1-N 3.42Å; N82-V84 VanDerWaalsContact OD1-N 3.14Å
83A57.5Low53.6Low96 Ų96111.9 Ų111.979%0.79368%0.679SS**  trans-72.1-7.5178.700000112.8R81 T85R81-A83 PolarHBondContact O-N 3.26Å; A83-T85 PolarHBondContact O-N 3.4Å
84V54.6Low52.6Low100 Ų100113.5 Ų113.561%0.60668%0.675SS**SBendtrans-80.9101.6172.7-173.40000107.9N82 K86N82-V84 PolarHBondContact O-N 2.83Å; N82-V84 WeakPolarHBondContact OD1-CB 3.18Å; N82-V84 PolarHBondContact OD1-N 3.42Å; N82-V84 VanDerWaalsContact OD1-N 3.14Å; V84-K86 PolarHBondContact O-N 2.84Å
85T48.3Very low51.6Low134 Ų134114.6 Ų114.682%0.82268%0.682SS**  trans-59.799166.8-26.60000107.5A83 A87A83-T85 PolarHBondContact O-N 3.4Å; T85-A87 PolarHBondContact O-N 3.02Å
86K46.8Very low50.8Low158 Ų158113.6 Ų113.669%0.68768%0.683SS**  trans-77.299.8168.1-62.8-173.4-178.2-172.80106V84 I88V84-K86 PolarHBondContact O-N 2.84Å; K86-I88 PolarHBondContact O-N 3.21Å
87A46Very low49.4Very low72 Ų72117.3 Ų117.360%0.59569%0.688SS**  trans-59.4112.4163.300000106.5T85 D89T85-A87 PolarHBondContact O-N 3.02Å; A87-D89 PolarHBondContact O-N 3.32Å
88I43Very low48.5Very low157 Ų157116 Ų11681%0.80568%0.684SS**  trans-80.379173-56.1166.1000104.9K86 T90K86-I88 PolarHBondContact O-N 3.21Å; I88-T90 PolarHBondContact O-N 3.09Å
89D44.3Very low47.6Very low129 Ų129121.1 Ų121.169%0.6970%0.701SS**  trans-72.5116.3160.5-100-12.5000106.3A87 G91 G92A87-D89 PolarHBondContact O-N 3.32Å; D89-G91 PolarHBondContact O-N 3.41Å; D89-G92 PolarHBondContact O-N 3.09Å
90T43.5Very low46.7Very low148 Ų148124.8 Ų124.891%0.90872%0.718SS**THydrogen-bonded Turntrans-4596.2174.4-100000110I88I88-T90 PolarHBondContact O-N 3.09Å
91G41.1Very low46.2Very low89 Ų89125.5 Ų125.592%0.91872%0.721SS**THydrogen-bonded Turntrans91.611.6171.300000118.3D89D89-G91 PolarHBondContact O-N 3.41Å
92G39.9Very low45.7Very low53 Ų53124.3 Ų124.355%0.54672%0.722SS.*  trans-106.7131.317700000113.8D89D89-G92 PolarHBondContact O-N 3.09Å
93E40Very low45.3Very low172 Ų172124.6 Ų124.680%0.80472%0.723SS**  trans-52.8143.2170.8-75-69.4138.200111.4I95E93-I95 PolarHBondContact O-N 3.26Å
94P44.9Very low44.7Very low114 Ų114123.1 Ų123.174%0.7471%0.707SS**  trans-65.9102.4-168.626.6-34.3000111.9A96P94-A96 PolarHBondContact O-N 2.62Å
95I44.5Very low44.4Very low135 Ų135125.9 Ų125.969%0.69272%0.715SS**  trans-74.8110.8171.2-56.1175.8000107.4E93 H97E93-I95 PolarHBondContact O-N 3.26Å; I95-H97 PolarHBondContact O-CD2 3.45Å; I95-H97 VanDerWaalsContact O-CD2 3.25Å; I95-H97 PolarHBondContact O-N 3.33Å
96A45.2Very low44.6Very low72 Ų72127.9 Ų127.960%0.59571%0.713SS**  trans-63.399.517100000108.9P94 H98P94-A96 PolarHBondContact O-N 2.62Å; A96-H98 VanDerWaalsContact C-N 3.34Å; A96-H98 PolarHBondContact O-N 3.18Å
97H41.6Very low44.9Very low149 Ų149122.8 Ų122.869%0.6970%0.7SS**  trans-66.592.5175.4-64.5-82.5000109.5I95 N99I95-H97 PolarHBondContact O-CD2 3.45Å; I95-H97 VanDerWaalsContact O-CD2 3.25Å; I95-H97 PolarHBondContact O-N 3.33Å; H97-N99 PolarHBondContact O-N 3.39Å
98H45.4Very low44.9Very low168 Ų168124.5 Ų124.578%0.77870%0.697SS**  trans-79.41176.6-93.3-71.4000114.1A96A96-H98 VanDerWaalsContact C-N 3.34Å; A96-H98 PolarHBondContact O-N 3.18Å
99N38.6Very low45.4Very low150 Ų150122.4 Ų122.480%0.80269%0.692SS**  trans-128.152.3-167.9-65.2-23000113.6H97 P101H97-N99 PolarHBondContact O-N 3.39Å; N99-P101 VanDerWaalsContact C-CD 3.5Å; N99-P101 WeakPolarHBondContact O-CD 3.44Å
100D43.7Very low45.8Very low114 Ų114121 Ų12161%0.6168%0.684SS**  trans-103.588.9165.1-147.9-9.5000109.9F102D100-F102 PolarHBondContact O-N 3.28Å
101P48.6Very low46.3Very low107 Ų107119.9 Ų119.970%0.69567%0.673SS**THydrogen-bonded Turntrans-73.90.1-174.529.7-35.1000114.1N99N99-P101 VanDerWaalsContact C-CD 3.5Å; N99-P101 WeakPolarHBondContact O-CD 3.44Å
102F44.8Very low47Very low185 Ų185124 Ų12481%0.81167%0.673SS**THydrogen-bonded Turntrans-103.411.8-178.5-68.3-76.1000114.7D100 S104D100-F102 PolarHBondContact O-N 3.28Å; F102-S104 PolarHBondContact O-N 2.81Å
103L48.7Very low47.7Very low115 Ų115124 Ų12460%0.60267%0.667SS**SBendtrans-68.984.9155.3-87.1157.8000107.6M105 A107L103-M105 PolarHBondContact O-N 3.33Å; L103-A107 HydrophobicContact CD2-CB 3.65Å
104S45.4Very low48.6Very low65 Ų65120.3 Ų120.346%0.45566%0.661SS.*  trans-34.5136173.3-179.80000110.2F102 F106 A107F102-S104 PolarHBondContact O-N 2.81Å; S104-F106 CarbonylContact O-C 3.58Å; S104-F106 PolarHBondContact O-N 3.08Å; S104-F106 VanDerWaalsContact OG-CD2 3.22Å; S104-F106 WeakPolarHBondContact OG-CD2 3.35Å; S104-A107 WeakPolarHBondContact O-CB 3.36Å; S104-A107 PolarHBondContact O-N 3.06Å
105M48.3Very low49.4Very low158 Ų158119 Ų11978%0.77865%0.645SS**THydrogen-bonded Turntrans-46.5-20.8178.7-172156.452.300114.1L103 M108L103-M105 PolarHBondContact O-N 3.33Å; M105-M108 PolarHBondContact O-N 2.67Å
106F52.9Low50.2Low176 Ų176121.8 Ų121.877%0.77265%0.652SS**THydrogen-bonded Turntrans-67.2-26.5170-61.2-65.2000115.2S104 T109S104-F106 CarbonylContact O-C 3.58Å; S104-F106 PolarHBondContact O-N 3.08Å; S104-F106 VanDerWaalsContact OG-CD2 3.22Å; S104-F106 WeakPolarHBondContact OG-CD2 3.35Å; F106-T109 WeakPolarHBondContact O-CG2 3.29Å; F106-T109 PolarHBondContact O-OG1 3.4Å
107A52.5Low51.1Low51 Ų51122 Ų12242%0.42166%0.661SS.*G310 helixtrans-83.8-18.2173.900000112.9L103 S104 T109L103-A107 HydrophobicContact CD2-CB 3.65Å; S104-A107 WeakPolarHBondContact O-CB 3.36Å; S104-A107 PolarHBondContact O-N 3.06Å; A107-T109 PolarHBondContact O-N 3.33Å
108M46.9Very low52.2Low108 Ų108121.1 Ų121.153%0.53266%0.659SS.*G310 helixtrans-74.44.3175.2-79.6178.473.100114M105 N110 N111M105-M108 PolarHBondContact O-N 2.67Å; M108-N110 PolarHBondContact O-N 3.29Å; M108-N111 VanDerWaalsContact CE-ND2 3.34Å; M108-N111 WeakPolarHBondContact CE-ND2 3.36Å; M108-N111 PolarHBondContact O-N 2.59Å
109T52.5Low53Low113 Ų113118.7 Ų118.769%0.69365%0.647SS**G310 helixtrans-62.9-11.4176.5510000113.6F106 A107F106-T109 WeakPolarHBondContact O-CG2 3.29Å; F106-T109 PolarHBondContact O-OG1 3.4Å; A107-T109 PolarHBondContact O-N 3.33Å
110N53.6Low54.4Low98 Ų98113.5 Ų113.552%0.52462%0.623SS.*G310 helixtrans-94.2-2.4-178.2-128.77.7000115M108 L112 A113M108-N110 PolarHBondContact O-N 3.29Å; N110-L112 PolarHBondContact O-N 3.49Å; N110-A113 PolarHBondContact O-N 3.16Å; N110-A113 PolarHBondContact OD1-O 3.06Å
111N52.9Low55.3Low125 Ų125117.1 Ų117.167%0.66863%0.634SS**SBendtrans-64.5-28.5-177.6-74-8.8000113.3M108M108-N111 VanDerWaalsContact CE-ND2 3.34Å; M108-N111 WeakPolarHBondContact CE-ND2 3.36Å; M108-N111 PolarHBondContact O-N 2.59Å
112L56.6Low56Low177 Ų177116.1 Ų116.193%0.92764%0.642SS**SBendtrans-104.2-19.3178.2-71.7148.5000112.8N110 S114N110-L112 PolarHBondContact O-N 3.49Å; L112-S114 PolarHBondContact O-N 3.08Å
113A53.9Low57Low51 Ų51108.3 Ų108.342%0.42161%0.614SS.*  trans-90.285.9-179.900000109.3N110 Q115N110-A113 PolarHBondContact O-N 3.16Å; N110-A113 PolarHBondContact OD1-O 3.06Å; A113-Q115 PolarHBondContact O-N 3.11Å
114S59.1Low57.6Low95 Ų95110 Ų11066%0.66462%0.618SS**  trans-62.9111.6168.7-168.70000108.7L112 K116L112-S114 PolarHBondContact O-N 3.08Å; S114-K116 PolarHBondContact O-N 2.91Å; S114-K116 WeakPolarHBondContact OG-CB 3.4Å
115Q61.3Low58.3Low87 Ų87115.6 Ų115.641%0.40763%0.63SS.*  trans-63-3172.3-164.9-179.25.900112.4A113 G117 M118A113-Q115 PolarHBondContact O-N 3.11Å; Q115-G117 PolarHBondContact O-N 2.85Å; Q115-M118 HydrophobicContact CG-CB 4.05Å; Q115-M118 HydrophobicContact CG-CG 4.19Å; Q115-M118 HydrophobicContact CG-SD 3.83Å; Q115-M118 PolarHBondContact O-N 3.03Å
116K61.8Low58.8Low194 Ų194114.3 Ų114.384%0.84362%0.622SS**THydrogen-bonded Turntrans-56.7108.4178.4-168.8176.3-177.5178.60110.1S114S114-K116 PolarHBondContact O-N 2.91Å; S114-K116 WeakPolarHBondContact OG-CB 3.4Å
117G63.7Low58.9Low76 Ų76113.6 Ų113.678%0.78463%0.626SS**THydrogen-bonded Turntrans108.3-417900000115.4Q115Q115-G117 PolarHBondContact O-N 2.85Å
118M64.4Low58.7Low131 Ų131116.7 Ų116.765%0.64564%0.639SS**PPolyproline II helixtrans-75.5125.7170.3-64.5-174.868.900110.1Q115Q115-M118 HydrophobicContact CG-CB 4.05Å; Q115-M118 HydrophobicContact CG-CG 4.19Å; Q115-M118 HydrophobicContact CG-SD 3.83Å; Q115-M118 PolarHBondContact O-N 3.03Å
119H62.2Low58.8Low116 Ų116116.7 Ų116.754%0.53765%0.65SS.*PPolyproline II helixtrans-101.8150.9169.3-101.839.9000110
120S67.9Low58.6Low41 Ų41118.8 Ų118.829%0.28765%0.649SS.*PPolyproline II helixtrans-53.9153.4169.942.60000111.1G78 G122 G123G78-S120 WeakPolarHBondContact O-CA 3.44Å; G78-S120 WeakPolarHBondContact O-CB 3.09Å; S120-G122 PolarHBondContact O-N 2.98Å; S120-G123 PolarHBondContact O-N 2.96Å
121F64.3Low58.3Low191 Ų191119.4 Ų119.484%0.83866%0.661SS**THydrogen-bonded Turntrans-57.8126.1172.2-69-75.7000109
122G63.2Low57.9Low85 Ų85119.8 Ų119.888%0.87667%0.668SS**THydrogen-bonded Turntrans87.4-7.5-174.700000115.6S120S120-G122 PolarHBondContact O-N 2.98Å
123G65.7Low57.4Low21 Ų21120.4 Ų120.422%0.21666%0.658CS.*  trans-62.9136.417300000111.7S120 R125S120-G123 PolarHBondContact O-N 2.96Å; G123-R125 PolarHBondContact O-N 2.98Å; G123-R125 VanDerWaalsContact O-N 3.13Å
124H59.8Low57.3Low150 Ų150125 Ų12569%0.69468%0.681SS**  trans-58.9116179.6-178.975.3000110.7
125R61.4Low56.9Low184 Ų184123 Ų12369%0.69468%0.675SS**  trans-87.6116.9172.3-64.4179-178.8-111.7-1.6107.6G123 N127G123-R125 PolarHBondContact O-N 2.98Å; G123-R125 VanDerWaalsContact O-N 3.13Å; R125-N127 PolarHBondContact O-N 3.09Å
126Q57.7Low56.6Low131 Ų131127 Ų12761%0.61270%0.699SS**  trans-64.1110.9170.3-70.3-170.6-3100108.2V128Q126-V128 PolarHBondContact O-N 3.23Å
127N56.5Low56.5Low161 Ų161120.9 Ų120.986%0.86168%0.678SS**  trans-69.7-9.4177-72.6-25000112.8R125R125-N127 PolarHBondContact O-N 3.09Å
128V47.8Very low56.3Low115 Ų115120.9 Ų120.970%0.69766%0.664SS**SBendtrans-101.1108.4-177.6-1720000107.8Q126 K130Q126-V128 PolarHBondContact O-N 3.23Å; V128-K130 PolarHBondContact O-N 3Å
129S49.3Very low56.3Low108 Ų108120.9 Ų120.976%0.75566%0.662SS**  trans-53.5107.1162.451.90000107.5S131S129-S131 PolarHBondContact O-N 3.17Å
130K47.8Very low56.7Low158 Ų158123 Ų12369%0.68767%0.673SS**  trans-55.1121.2165.6-65.5-172.8-177.1-1750105.8V128 V132V128-K130 PolarHBondContact O-N 3Å; K130-V132 VanDerWaalsContact C-N 3.33Å; K130-V132 PolarHBondContact O-N 3.1Å
131S46.7Very low56.6Low111 Ų111128 Ų12878%0.77669%0.689SS**  trans-62.4100.517556.70000107.2S129 R133S129-S131 PolarHBondContact O-N 3.17Å; S131-R133 PolarHBondContact O-N 3.07Å
132V45.5Very low56.6Low132 Ų132120.2 Ų120.280%0.866%0.66SS**  trans-72.885.6169.9-177.20000106K130K130-V132 VanDerWaalsContact C-N 3.33Å; K130-V132 PolarHBondContact O-N 3.1Å
133R46.3Very low56.8Low191 Ų191121.4 Ų121.472%0.72164%0.641SS**  trans-133.388.7162.4-77.9-163.3170.8-177-2108.9S131 G135S131-R133 PolarHBondContact O-N 3.07Å; R133-G135 PolarHBondContact O-N 2.96Å
134T51.4Low56.9Low148 Ų148125.8 Ų125.891%0.90866%0.659SS**  trans-59.9112.6155-51.40000107.5
135G50.7Low57.1Low52 Ų52121.7 Ų121.754%0.53665%0.648SS.*SBendtrans120.3113.5176.200000111.6R133 V137R133-G135 PolarHBondContact O-N 2.96Å; G135-V137 PolarHBondContact O-N 3.04Å
136D54.4Low56.8Low170 Ų170119.8 Ų119.891%0.90965%0.647SS**  trans-53.1105.4171.1-59.9-48.4000108.7P138D136-P138 WeakPolarHBondContact O-CD 3.47Å
137V59Low56.9Low66 Ų66119.2 Ų119.240%0.465%0.653SS.*  trans-71.8119.2173.6-177.30000105.8G135 H139 K141G135-V137 PolarHBondContact O-N 3.04Å; V137-H139 PolarHBondContact O-N 3.29Å; V137-K141 HydrophobicContact CG1-CB 3.88Å
138P59.9Low56.7Low76 Ų76116 Ų11649%0.49464%0.639SS.*  trans-57.2133.6179.722-31.8000109.1D136 E140 K141 A142D136-P138 WeakPolarHBondContact O-CD 3.47Å; P138-E140 PolarHBondContact O-N 3.25Å; P138-K141 HydrophobicContact CG-CB 4.46Å; P138-K141 HydrophobicContact CG-CD 4.09Å; P138-K141 HydrophobicContact CG-CG 4.26Å; P138-K141 PolarHBondContact O-N 2.88Å; P138-A142 PolarHBondContact O-N 2.86Å
139H64.7Low57.1Low131 Ų131117.3 Ų117.361%0.60664%0.64SS**Hα-helixtrans-51.1-31.6-168.8-177.8-106.8000113.7V137 K141 A142 K143V137-H139 PolarHBondContact O-N 3.29Å; H139-K141 PolarHBondContact O-N 2.87Å; H139-A142 WeakPolarHBondContact O-CB 3.01Å; H139-A142 PolarHBondContact O-N 2.94Å; H139-K143 WeakPolarHBondContact CE1-CE 3.09Å; H139-K143 PolarHBondContact O-N 3.36Å
140E71.1Confident57.2Low162 Ų162116.1 Ų116.176%0.75763%0.63SS**Hα-helixtrans-63.2-40.4174.7-62.1-159.9157.500113.4P138 A142 N144P138-E140 PolarHBondContact O-N 3.25Å; E140-A142 VanDerWaalsContact C-N 3.33Å; E140-N144 PolarHBondContact O-N 2.81Å; E140-N144 PolarHBondContact O-OD1 3.42Å
141K65.7Low57.2Low144 Ų144117.5 Ų117.563%0.62664%0.636SS**Hα-helixtrans-72.6-28.6174.9-69.3-174.4-178.9179.10112V137 P138 H139 N144 S145V137-K141 HydrophobicContact CG1-CB 3.88Å; P138-K141 HydrophobicContact CG-CB 4.46Å; P138-K141 HydrophobicContact CG-CD 4.09Å; P138-K141 HydrophobicContact CG-CG 4.26Å; P138-K141 PolarHBondContact O-N 2.88Å; H139-K141 PolarHBondContact O-N 2.87Å; K141-N144 PolarHBondContact O-N 3.4Å; K141-S145 PolarHBondContact O-N 3.35Å
142A63.1Low57.7Low28 Ų28121 Ų12123%0.23164%0.64CS.*Hα-helixtrans-68.3-42.9175.300000111.4P138 H139 E140 N144 S145 E146P138-A142 PolarHBondContact O-N 2.86Å; H139-A142 WeakPolarHBondContact O-CB 3.01Å; H139-A142 PolarHBondContact O-N 2.94Å; E140-A142 VanDerWaalsContact C-N 3.33Å; A142-N144 VanDerWaalsContact C-N 3.27Å; A142-N144 PolarHBondContact O-N 2.97Å; A142-S145 WeakPolarHBondContact O-CA 3.48Å; A142-S145 WeakPolarHBondContact O-CB 3.36Å; A142-S145 PolarHBondContact O-N 2.81Å; A142-S145 PolarHBondContact O-OG 3.46Å; A142-E146 PolarHBondContact O-N 2.81Å; A142-E146 VanDerWaalsContact O-N 3.11Å
143K68.3Low57.8Low110 Ų110119.6 Ų119.648%0.47864%0.642SS.*Hα-helixtrans-57.4-38.4173.3-77.7-165.4175.5-168.30112.9H139 S145 E146H139-K143 WeakPolarHBondContact CE1-CE 3.09Å; H139-K143 PolarHBondContact O-N 3.36Å; K143-S145 PolarHBondContact O-N 3.09Å; K143-E146 WeakPolarHBondContact O-CB 3.43Å; K143-E146 PolarHBondContact O-N 2.93Å; K143-E146 VanDerWaalsContact O-N 3.1Å
144N68.8Low57.5Low113 Ų113112.6 Ų112.660%0.60463%0.629SS**Hα-helixtrans-61-35.3175-68.410.6000111.5E140 K141 A142 T147 V148E140-N144 PolarHBondContact O-N 2.81Å; E140-N144 PolarHBondContact O-OD1 3.42Å; K141-N144 PolarHBondContact O-N 3.4Å; A142-N144 VanDerWaalsContact C-N 3.27Å; A142-N144 PolarHBondContact O-N 2.97Å; N144-T147 PolarHBondContact O-OG1 3.43Å; N144-V148 WeakPolarHBondContact O-CG2 3Å
145S61.9Low56.8Low65 Ų65108.2 Ų108.246%0.45561%0.613SS.*Hα-helixtrans-76.4-20.2175.869.60000114.5K141 A142 K143 T147 V148K141-S145 PolarHBondContact O-N 3.35Å; A142-S145 WeakPolarHBondContact O-CA 3.48Å; A142-S145 WeakPolarHBondContact O-CB 3.36Å; A142-S145 PolarHBondContact O-N 2.81Å; A142-S145 PolarHBondContact O-OG 3.46Å; K143-S145 PolarHBondContact O-N 3.09Å; S145-T147 VanDerWaalsContact C-N 3.27Å; S145-T147 PolarHBondContact O-N 2.88Å; S145-V148 CarbonylContact O-C 3.35Å; S145-V148 PolarHBondContact O-N 2.65Å; S145-V148 VanDerWaalsContact O-N 3.08Å
146E56.8Low56.4Low144 Ų144115.3 Ų115.367%0.67363%0.63SS**Hα-helixtrans-65.2-33.1173.5-67178176.600111.6A142 K143 V148A142-E146 PolarHBondContact O-N 2.81Å; A142-E146 VanDerWaalsContact O-N 3.11Å; K143-E146 WeakPolarHBondContact O-CB 3.43Å; K143-E146 PolarHBondContact O-N 2.93Å; K143-E146 VanDerWaalsContact O-N 3.1Å; E146-V148 VanDerWaalsContact C-N 3.3Å
147T58.8Low55.7Low119 Ų119118.4 Ų118.473%0.7363%0.631SS**Hα-helixtrans-75.1-23.2172.869.10000112.7N144 S145 I149N144-T147 PolarHBondContact O-OG1 3.43Å; S145-T147 VanDerWaalsContact C-N 3.27Å; S145-T147 PolarHBondContact O-N 2.88Å; T147-I149 PolarHBondContact O-N 2.7Å
148V53.5Low54.9Low94 Ų94117.4 Ų117.457%0.5763%0.634SS**  trans-9382.2178.6-175.40000107.8N144 S145 E146 P150N144-V148 WeakPolarHBondContact O-CG2 3Å; S145-V148 CarbonylContact O-C 3.35Å; S145-V148 PolarHBondContact O-N 2.65Å; S145-V148 VanDerWaalsContact O-N 3.08Å; E146-V148 VanDerWaalsContact C-N 3.3Å; V148-P150 WeakPolarHBondContact O-CD 3.3Å
149I55.7Low54Low141 Ų141123 Ų12372%0.72365%0.65SS**  trans-53.5113.1162.2-59.2174.1000105.6T147 K151T147-I149 PolarHBondContact O-N 2.7Å; I149-K151 PolarHBondContact O-N 2.98Å
150P51.9Low53Low83 Ų83125.3 Ų125.354%0.53966%0.661SS.*  trans-57.8118.217522.7-29.9000105.6V148 Q152V148-P150 WeakPolarHBondContact O-CD 3.3Å; P150-Q152 HydrophobicContact CB-CG 4.24Å; P150-Q152 HydrophobicContact CG-CG 4.33Å; P150-Q152 PolarHBondContact O-N 3.14Å
151K47.6Very low51.7Low188 Ų188124.6 Ų124.682%0.81766%0.662SS**  trans-63.372.4172.9-98.6-174.2172.3177.70108.2I149 A153 G154I149-K151 PolarHBondContact O-N 2.98Å; K151-A153 PolarHBondContact O-N 3.31Å; K151-A153 VanDerWaalsContact O-N 3.14Å; K151-G154 PolarHBondContact O-N 3.05Å
152Q56.1Low51.1Low185 Ų185129 Ų12986%0.86468%0.675SS**THydrogen-bonded Turntrans-66.7-9.3173.7-72.4-177.5-30.100111.2P150P150-Q152 HydrophobicContact CB-CG 4.24Å; P150-Q152 HydrophobicContact CG-CG 4.33Å; P150-Q152 PolarHBondContact O-N 3.14Å
153A48.5Very low50.5Low101 Ų101135.5 Ų135.584%0.83571%0.705SS**THydrogen-bonded Turntrans-12119.217600000113.4K151 G155K151-A153 PolarHBondContact O-N 3.31Å; K151-A153 VanDerWaalsContact O-N 3.14Å; A153-G155 VanDerWaalsContact C-N 3.26Å; A153-G155 PolarHBondContact O-N 2.96Å
154G38.7Very low49.7Very low44 Ų44136.1 Ų136.145%0.45472%0.718SS.*  trans-71.288.5165.400000108.5K151 F156K151-G154 PolarHBondContact O-N 3.05Å; G154-F156 PolarHBondContact O-N 3.4Å; G154-F156 VanDerWaalsContact O-N 3.11Å
155G38.5Very low48.9Very low56 Ų56133.2 Ų133.258%0.57771%0.71SS**  trans-45122174.800000109.5A153 Y157A153-G155 VanDerWaalsContact C-N 3.26Å; A153-G155 PolarHBondContact O-N 2.96Å; G155-Y157 PolarHBondContact O-N 2.93Å
156F41Very low48.4Very low202 Ų202134.5 Ų134.589%0.88672%0.716SS**  trans-53116173.6-111-101.1000107.4G154 G158G154-F156 PolarHBondContact O-N 3.4Å; G154-F156 VanDerWaalsContact O-N 3.11Å; F156-G158 PolarHBondContact O-N 2.72Å
157Y40Very low48.4Very low235 Ų235135.6 Ų135.692%0.92273%0.725SS**  trans-71.752.8154.8-62.3-79.3000108.1G155 K159G155-Y157 PolarHBondContact O-N 2.93Å; Y157-K159 PolarHBondContact O-N 2.92Å
158G43Very low48.1Very low45 Ų45133.7 Ų133.746%0.46473%0.729SS.*  trans-69.5100.8168.700000106F156 Q160F156-G158 PolarHBondContact O-N 2.72Å; G158-Q160 PolarHBondContact O-N 3.35Å
159K40.4Very low48.1Very low192 Ų192131.3 Ų131.384%0.83572%0.717SS**  trans-41.4129.2167.6-68.5-177.2178.1-177.60107.9Y157 N161Y157-K159 PolarHBondContact O-N 2.92Å; K159-N161 PolarHBondContact O-N 3.03Å
160Q44.1Very low48.1Very low181 Ų181132.9 Ų132.985%0.84673%0.726SS**  trans-53.168-166.5-62.7-178.9-34.300115.6G158 R162G158-Q160 PolarHBondContact O-N 3.35Å; Q160-R162 PolarHBondContact O-N 2.75Å
161N43.8Very low48.2Very low146 Ų146136 Ų13678%0.78173%0.727SS**  trans-84.171.3157.6-76.9-0.9000107.4K159 L163K159-N161 PolarHBondContact O-N 3.03Å; N161-L163 PolarHBondContact O-N 2.79Å
162R51.6Low48.6Very low238 Ų238138 Ų13890%0.89873%0.729SS**SBendtrans17.84.6160.7-63.9-173.1-166-177.94.8123.2Q160Q160-R162 PolarHBondContact O-N 2.75Å
163L50.7Low48.9Very low163 Ų163136.6 Ų136.685%0.85373%0.728SS**SBendtrans-126.3-2.9-170.8-65.3177.5000114.8N161N161-L163 PolarHBondContact O-N 2.79Å
164T53Low49.2Very low124 Ų124136.4 Ų136.476%0.76172%0.716SS**  trans-122.475.1178.852.60000111
165A51.6Low50Low51 Ų51141.1 Ų141.142%0.42173%0.728SS.*PPolyproline II helixtrans-62.7128.2164.700000108.4S169A165-S169 WeakPolarHBondContact CB-OG 3.25Å
166P51.9Low51Low92 Ų92146.1 Ų146.160%0.59773%0.734SS**PPolyproline II helixtrans-59.5152.2-175.121.4-30.8000111.8G168 S169P166-G168 PolarHBondContact O-N 3.47Å; P166-S169 WeakPolarHBondContact CD-OG 3.37Å; P166-S169 WeakPolarHBondContact O-CB 3.49Å; P166-S169 PolarHBondContact O-N 2.74Å; P166-S169 PolarHBondContact O-OG 3.48Å
167I55.9Low51.9Low167 Ų167139.5 Ų139.586%0.85671%0.707SS**THydrogen-bonded Turntrans-52.4126.5175.7-100.4163.8000109.4
168G52.1Low53.1Low79 Ų79135.3 Ų135.381%0.81470%0.696SS**THydrogen-bonded Turntrans91.4-15.5-177.300000115.6P166P166-G168 PolarHBondContact O-N 3.47Å
169S54.1Low53.7Low45 Ų45137.3 Ų137.332%0.31569%0.69SS.*SBendtrans-70.3142.3171.463.30000110.7A165 P166 R171A165-S169 WeakPolarHBondContact CB-OG 3.25Å; P166-S169 WeakPolarHBondContact CD-OG 3.37Å; P166-S169 WeakPolarHBondContact O-CB 3.49Å; P166-S169 PolarHBondContact O-N 2.74Å; P166-S169 PolarHBondContact O-OG 3.48Å; S169-R171 PolarHBondContact O-N 3.03Å
170L55.8Low54.6Low173 Ų173134.7 Ų134.791%0.90668%0.681SS**  trans-61.499.1177.1-162.376.8000108.2R172L170-R172 PolarHBondContact O-N 3.22Å
171R54.2Low55.6Low150 Ų150132.8 Ų132.857%0.56668%0.676SS**  trans-63.2125.3173.7-64.2-174180120.9-0.2106.3S169 N173S169-R171 PolarHBondContact O-N 3.03Å; R171-N173 PolarHBondContact O-N 3.38Å; R171-N173 PolarHBondContact O-OD1 3.07Å
172R55.4Low56.7Low230 Ų230135.2 Ų135.287%0.86868%0.68SS**  trans-64.497.2164.4-73.4-173-175.5143.40.1106.1L170 V174L170-R172 PolarHBondContact O-N 3.22Å; R172-V174 PolarHBondContact O-N 3.44Å
173N63.2Low57Low155 Ų155130.8 Ų130.883%0.82967%0.673SS**  trans-66.3-14.7175.8-67.9-13.9000111.5R171R171-N173 PolarHBondContact O-N 3.38Å; R171-N173 PolarHBondContact O-OD1 3.07Å
174V54.4Low57.3Low97 Ų97125 Ų12559%0.58864%0.643SS**SBendtrans-93.9116.9177-170.40000108.6R172 K176R172-V174 PolarHBondContact O-N 3.44Å; V174-K176 PolarHBondContact O-N 3.34Å
175M56.2Low57.5Low143 Ų143124.5 Ų124.570%0.70464%0.635SS**  trans-55.6130.1171.8-171.8-176.4-55.700109.5I177M175-I177 HydrophobicContact CB-CD1 4.41Å; M175-I177 HydrophobicContact CB-CG1 4.29Å; M175-I177 HydrophobicContact CG-CD1 4.4Å; M175-I177 HydrophobicContact CG-CG1 3.97Å; M175-I177 PolarHBondContact O-N 3.17Å; M175-I177 HydrophobicContact SD-CD1 4.05Å; M175-I177 HydrophobicContact SD-CG1 3.95Å
176K59.3Low58Low160 Ų160128.3 Ų128.370%0.69666%0.656SS**  trans-75.4106.4171.5-165.6-167.9-176.9-148.60107.6V174 E178V174-K176 PolarHBondContact O-N 3.34Å; K176-E178 IonicContact NZ-OE1 2.73Å; K176-E178 PolarHBondContact NZ-OE1 3.39Å
177I58.5Low58.6Low63 Ų63133.5 Ų133.532%0.32367%0.669SS.*  trans-101.9119178-67.3169.3000107.3M175 Y179 F195M175-I177 HydrophobicContact CB-CD1 4.41Å; M175-I177 HydrophobicContact CB-CG1 4.29Å; M175-I177 HydrophobicContact CG-CD1 4.4Å; M175-I177 HydrophobicContact CG-CG1 3.97Å; M175-I177 PolarHBondContact O-N 3.17Å; M175-I177 HydrophobicContact SD-CD1 4.05Å; M175-I177 HydrophobicContact SD-CG1 3.95Å; I177-Y179 HydrophobicContact CG2-CD1 4.5Å; I177-Y179 HydrophobicContact CG2-CE1 4.36Å; I177-Y179 HydrophobicContact CG2-CE2 4.48Å; I177-F195 HydrophobicContact CB-CE1 4.11Å; I177-F195 HydrophobicContact CB-CE2 4.37Å; I177-F195 HydrophobicContact CB-CZ 3.64Å; I177-F195 HydrophobicContact CD1-CD1 3.62Å; I177-F195 HydrophobicContact CD1-CD2 3.85Å; I177-F195 HydrophobicContact CD1-CE1 3.28Å; I177-F195 HydrophobicContact CD1-CE2 3.55Å; I177-F195 HydrophobicContact CD1-CG 3.89Å; I177-F195 HydrophobicContact CD1-CZ 3.25Å; I177-F195 HydrophobicContact CG1-CE1 4.24Å; I177-F195 HydrophobicContact CG1-CE2 4.37Å; I177-F195 HydrophobicContact CG1-CZ 3.94Å; I177-F195 HydrophobicContact CG2-CE1 3.92Å; I177-F195 HydrophobicContact CG2-CZ 3.89Å
178E66.9Low58.7Low147 Ų147129.6 Ų129.669%0.68765%0.648SS**  trans-95.9114.4170-71.6175-174.700106.7K176K176-E178 IonicContact NZ-OE1 2.73Å; K176-E178 PolarHBondContact NZ-OE1 3.39Å
179Y55.5Low58.9Low87 Ų87129.6 Ų129.634%0.34163%0.629SS.*  trans-75.6137.1177.7-63.2-87.9000109.4I177 I184 M188 F195I177-Y179 HydrophobicContact CG2-CD1 4.5Å; I177-Y179 HydrophobicContact CG2-CE1 4.36Å; I177-Y179 HydrophobicContact CG2-CE2 4.48Å; Y179-I184 VanDerWaalsContact CB-CD1 3.48Å; Y179-I184 HydrophobicContact CD1-CD1 4.33Å; Y179-I184 HydrophobicContact CD1-CG1 4.09Å; Y179-I184 HydrophobicContact CG-CD1 3.93Å; Y179-I184 HydrophobicContact CG-CG1 4.2Å; Y179-M188 HydrophobicContact CE1-CE 4.36Å; Y179-F195 HydrophobicContact CE1-CE1 4.05Å; Y179-F195 HydrophobicContact CE1-CZ 4.45Å; Y179-F195 HydrophobicContact CE2-CZ 4.33Å; Y179-F195 AromaticContact CZ-CE1 3.73Å; Y179-F195 AromaticContact CZ-CZ 3.71Å; Y179-F195 WeakPolarHBondContact OH-CE1 3.25Å; Y179-F195 WeakPolarHBondContact OH-CZ 3.45Å
180Q59.5Low59.2Low137 Ų137132.1 Ų132.164%0.6465%0.645SS**  trans-82.5127.1161.1-61.3-129.9-8.600107.8K182 L183Q180-K182 PolarHBondContact O-N 3.23Å; Q180-L183 HydrophobicContact CB-CD1 4.26Å; Q180-L183 PolarHBondContact O-N 2.74Å
181D63.6Low59.4Low141 Ų141131.3 Ų131.375%0.75464%0.636SS**G310 helixtrans-49.9-29.8-176.8-66.4-21.9000113.2L183 I184D181-L183 VanDerWaalsContact C-N 3.31Å; D181-L183 PolarHBondContact O-N 2.96Å; D181-I184 PolarHBondContact O-N 3.35Å
182K66.8Low59.7Low198 Ų198126.5 Ų126.586%0.86163%0.626SS**G310 helixtrans-71-18.4-179.9-57.8-177.4-177.6-177.80114.8Q180Q180-K182 PolarHBondContact O-N 3.23Å
183L58.3Low59.1Low144 Ų144121.4 Ų121.475%0.75462%0.616SS**G310 helixtrans-98.6-12.1-178.8-72.4162.7000112.7Q180 D181 N185Q180-L183 HydrophobicContact CB-CD1 4.26Å; Q180-L183 PolarHBondContact O-N 2.74Å; D181-L183 VanDerWaalsContact C-N 3.31Å; D181-L183 PolarHBondContact O-N 2.96Å; L183-N185 PolarHBondContact O-N 3.4Å
184I56.5Low58.7Low43 Ų43119.5 Ų119.522%0.22161%0.61CS.*SBendtrans-79.4109.4176.3-68.8163.9000107.7Y179 D181 M188Y179-I184 VanDerWaalsContact CB-CD1 3.48Å; Y179-I184 HydrophobicContact CD1-CD1 4.33Å; Y179-I184 HydrophobicContact CD1-CG1 4.09Å; Y179-I184 HydrophobicContact CG-CD1 3.93Å; Y179-I184 HydrophobicContact CG-CG1 4.2Å; D181-I184 PolarHBondContact O-N 3.35Å; I184-M188 HydrophobicContact CB-CE 4.28Å; I184-M188 HydrophobicContact CG1-CE 3.97Å; I184-M188 HydrophobicContact CG2-CE 4.15Å
185N57.4Low58.6Low112 Ų112119.4 Ų119.460%0.59960%0.602SS**  trans-61.5129.2166.5-164.8-9.2000107.7L183 K187 M188L183-N185 PolarHBondContact O-N 3.4Å; N185-K187 PolarHBondContact O-N 3.49Å; N185-M188 WeakPolarHBondContact O-CB 3.45Å; N185-M188 PolarHBondContact O-N 3.37Å
186P63.3Low58.2Low131 Ų131118.2 Ų118.285%0.85160%0.598SS**THydrogen-bonded Turntrans-57.9-11.8-174.318.7-34.1000115.5
187K64.3Low57.7Low202 Ų202114.8 Ų114.888%0.87859%0.59SS**THydrogen-bonded Turntrans-86.6-6.3174.9-161.3175.1178.9179.70113.9N185N185-K187 PolarHBondContact O-N 3.49Å
188M57.9Low57.2Low84 Ų84123.2 Ų123.241%0.41462%0.618SS.*SBendtrans-93.2123.1-174.9-169.8171.768.700110.8Y179 I184 N185 P190Y179-M188 HydrophobicContact CE1-CE 4.36Å; I184-M188 HydrophobicContact CB-CE 4.28Å; I184-M188 HydrophobicContact CG1-CE 3.97Å; I184-M188 HydrophobicContact CG2-CE 4.15Å; N185-M188 WeakPolarHBondContact O-CB 3.45Å; N185-M188 PolarHBondContact O-N 3.37Å; M188-P190 WeakPolarHBondContact O-CD 3.18Å
189D56.7Low56.6Low79 Ų79121.5 Ų121.542%0.42262%0.622SS.*  trans-68119.2177.8-175.4-6.8000110.2Q191 S192D189-Q191 PolarHBondContact O-N 2.92Å; D189-Q191 WeakPolarHBondContact OD1-CB 3.41Å; D189-Q191 PolarHBondContact OD1-N 3.49Å; D189-S192 PolarHBondContact O-N 3.37Å; D189-S192 PolarHBondContact O-OG 2.9Å
190P58.6Low56.3Low98 Ų98119.8 Ų119.864%0.63663%0.626SS**THydrogen-bonded Turntrans-57.2-20.2177.2-2333.1000114M188M188-P190 WeakPolarHBondContact O-CD 3.18Å
191Q60.1Low55.8Low156 Ų156115.4 Ų115.473%0.72961%0.613SS**THydrogen-bonded Turntrans-92.7-1.7-174.1-152.4173.8-29.300113.9D189 N193D189-Q191 PolarHBondContact O-N 2.92Å; D189-Q191 WeakPolarHBondContact OD1-CB 3.41Å; D189-Q191 PolarHBondContact OD1-N 3.49Å; Q191-N193 VanDerWaalsContact C-N 3.33Å; Q191-N193 PolarHBondContact O-N 3.24Å
192S60.4Low54.9Low50 Ų50113.8 Ų113.835%0.3561%0.611SS.*  trans-71.886.7174.671.50000110.6D189 T194D189-S192 PolarHBondContact O-N 3.37Å; D189-S192 PolarHBondContact O-OG 2.9Å; S192-T194 PolarHBondContact O-N 3.03Å
193N44.1Very low54Low123 Ų123108.7 Ų108.766%0.65859%0.593SS**  trans-70.58.2177.5-77.5-43.3000114.3Q191Q191-N193 VanDerWaalsContact C-N 3.33Å; Q191-N193 PolarHBondContact O-N 3.24Å
194T53.7Low53.7Low115 Ų115107.4 Ų107.471%0.70659%0.593SS**  trans-100.389.8176.747.30000110.1S192 L196S192-T194 PolarHBondContact O-N 3.03Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-L196 PolarHBondContact O-N 2.99Å
195F52.2Low53.3Low94 Ų94112 Ų11241%0.41262%0.618SS.*  trans-69.488.8168.9-65.1-87.3000109.8I177 Y179 T197I177-F195 HydrophobicContact CB-CE1 4.11Å; I177-F195 HydrophobicContact CB-CE2 4.37Å; I177-F195 HydrophobicContact CB-CZ 3.64Å; I177-F195 HydrophobicContact CD1-CD1 3.62Å; I177-F195 HydrophobicContact CD1-CD2 3.85Å; I177-F195 HydrophobicContact CD1-CE1 3.28Å; I177-F195 HydrophobicContact CD1-CE2 3.55Å; I177-F195 HydrophobicContact CD1-CG 3.89Å; I177-F195 HydrophobicContact CD1-CZ 3.25Å; I177-F195 HydrophobicContact CG1-CE1 4.24Å; I177-F195 HydrophobicContact CG1-CE2 4.37Å; I177-F195 HydrophobicContact CG1-CZ 3.94Å; I177-F195 HydrophobicContact CG2-CE1 3.92Å; I177-F195 HydrophobicContact CG2-CZ 3.89Å; Y179-F195 HydrophobicContact CE1-CE1 4.05Å; Y179-F195 HydrophobicContact CE1-CZ 4.45Å; Y179-F195 HydrophobicContact CE2-CZ 4.33Å; Y179-F195 AromaticContact CZ-CE1 3.73Å; Y179-F195 AromaticContact CZ-CZ 3.71Å; Y179-F195 WeakPolarHBondContact OH-CE1 3.25Å; Y179-F195 WeakPolarHBondContact OH-CZ 3.45Å; F195-T197 PolarHBondContact O-N 3.19Å
196L48.3Very low52.7Low118 Ų118109 Ų10962%0.61861%0.606SS**  trans-74.7112.5152.7-63.1179.4000105.9T194 A200T194-L196 VanDerWaalsContact C-N 3.34Å; T194-L196 PolarHBondContact O-N 2.99Å; L196-A200 HydrophobicContact CB-CB 4.5Å; L196-A200 HydrophobicContact CD2-CB 4.47Å
197T49.5Very low52.1Low89 Ų89111.5 Ų111.555%0.54661%0.606SS.*  trans-51.6145.7165.637.20000108.3F195 S199 A200 A201F195-T197 PolarHBondContact O-N 3.19Å; T197-S199 WeakPolarHBondContact CB-OG 3.45Å; T197-S199 PolarHBondContact O-N 3.48Å; T197-S199 PolarHBondContact OG1-OG 2.67Å; T197-A200 CarbonylContact O-C 3.51Å; T197-A200 WeakPolarHBondContact O-CA 3.15Å; T197-A200 WeakPolarHBondContact O-CB 3.45Å; T197-A200 PolarHBondContact O-N 2.83Å; T197-A201 PolarHBondContact O-N 3.04Å
198R47.5Very low50.9Low239 Ų239105.9 Ų105.990%0.90260%0.598SS**THydrogen-bonded Turntrans-53.7-21.1176.7-77.3-179.660.7-165.1-2.4113.7
199S53.7Low50Low111 Ų111105.6 Ų105.678%0.77662%0.616SS**THydrogen-bonded Turntrans-72.3-27.7170.8540000114.5T197T197-S199 WeakPolarHBondContact CB-OG 3.45Å; T197-S199 PolarHBondContact O-N 3.48Å; T197-S199 PolarHBondContact OG1-OG 2.67Å
200A48.8Very low49.2Very low52 Ų52107.2 Ų107.243%0.4363%0.633SS.*THydrogen-bonded Turntrans-96-15.5175.500000112.7L196 T197 P202L196-A200 HydrophobicContact CB-CB 4.5Å; L196-A200 HydrophobicContact CD2-CB 4.47Å; T197-A200 CarbonylContact O-C 3.51Å; T197-A200 WeakPolarHBondContact O-CA 3.15Å; T197-A200 WeakPolarHBondContact O-CB 3.45Å; T197-A200 PolarHBondContact O-N 2.83Å; A200-P202 WeakPolarHBondContact O-CD 3.35Å
201A49.1Very low48.3Very low44 Ų44107.6 Ų107.636%0.36464%0.638SS.*SBendtrans-58.6120.3167.100000107.5T197 N203T197-A201 PolarHBondContact O-N 3.04Å; A201-N203 PolarHBondContact O-N 3.18Å
202P46.5Very low47.5Very low108 Ų108103.1 Ų103.170%0.70163%0.628SS**PPolyproline II helixtrans-54.6116174.7-19.129.6000106.7A200 P204A200-P202 WeakPolarHBondContact O-CD 3.35Å; P202-P204 VanDerWaalsContact O-CD 3.29Å; P202-P204 WeakPolarHBondContact O-CD 3.39Å; P202-P204 VanDerWaalsContact O-N 3.07Å
203N47.6Very low46.4Very low91 Ų91109.7 Ų109.749%0.48766%0.655SS.*PPolyproline II helixtrans-58.9120.7168.81657.8000104.9A201 N205 S206A201-N203 PolarHBondContact O-N 3.18Å; N203-N205 PolarHBondContact O-N 3.27Å; N203-N205 PolarHBondContact OD1-N 3.48Å; N203-S206 PolarHBondContact O-N 3.36Å
204P52.5Low46.3Very low117 Ų117111.8 Ų111.876%0.7667%0.666SS**THydrogen-bonded Turntrans-58-20.3-175.921.6-32.3000112.2P202P202-P204 VanDerWaalsContact O-CD 3.29Å; P202-P204 WeakPolarHBondContact O-CD 3.39Å; P202-P204 VanDerWaalsContact O-N 3.07Å
205N47.9Very low45.5Very low139 Ų139111.5 Ų111.574%0.74366%0.657SS**THydrogen-bonded Turntrans-98.6-3176.7-60.1-14.9000113.8N203N203-N205 PolarHBondContact O-N 3.27Å; N203-N205 PolarHBondContact OD1-N 3.48Å
206S43Very low44.9Very low50 Ų50113.7 Ų113.735%0.3567%0.667SS.*  trans-10497.6-178.8-174.80000110.6N203 A208N203-S206 PolarHBondContact O-N 3.36Å; S206-A208 PolarHBondContact O-N 2.86Å; S206-A208 VanDerWaalsContact O-N 3.09Å; S206-A208 WeakPolarHBondContact OG-CB 3.42Å; S206-A208 PolarHBondContact OG-N 3.34Å
207H51Low44.6Very low182 Ų182119.5 Ų119.584%0.84368%0.68SS**  trans-70.310.9163.8-59.5-67.2000113.1G209H207-G209 PolarHBondContact O-N 3Å
208A39.4Very low44.3Very low85 Ų85120.9 Ų120.970%0.70269%0.693SS**  trans-88.198.4176.400000110S206S206-A208 PolarHBondContact O-N 2.86Å; S206-A208 VanDerWaalsContact O-N 3.09Å; S206-A208 WeakPolarHBondContact OG-CB 3.42Å; S206-A208 PolarHBondContact OG-N 3.34Å
209G39Very low44.2Very low77 Ų77114.6 Ų114.679%0.79467%0.674SS**SBendtrans157.8-28.9163.700000116.8H207H207-G209 PolarHBondContact O-N 3Å
210S40Very low43.9Very low113 Ų113115.3 Ų115.379%0.7967%0.674SS**  trans-104.748.7177.758.30000112.1A212S210-A212 PolarHBondContact O-N 3.28Å
211S39.5Very low43.8Very low107 Ų107118.3 Ų118.375%0.74868%0.681SS**  trans-74.388.5153.7-170.70000105.6M213S211-M213 PolarHBondContact O-N 3.29Å
212A43.7Very low43.7Very low61 Ų61125.3 Ų125.350%0.50470%0.703SS.*  trans-47.8117.2167.100000106.4S210 D214 H215S210-A212 PolarHBondContact O-N 3.28Å; A212-D214 PolarHBondContact O-N 3.01Å; A212-D214 VanDerWaalsContact O-N 3.09Å; A212-H215 PolarHBondContact O-N 2.9Å
213M38.2Very low43.8Very low188 Ų188125 Ų12593%0.92670%0.696SS**THydrogen-bonded Turntrans-51.2124.4174.9-62.1179.8-169.600105.5S211S211-M213 PolarHBondContact O-N 3.29Å
214D40.2Very low43.7Very low167 Ų167127.7 Ų127.789%0.89371%0.71SS**THydrogen-bonded Turntrans88.615.5177.1-128.718.2000118.8A212A212-D214 PolarHBondContact O-N 3.01Å; A212-D214 VanDerWaalsContact O-N 3.09Å
215H37.5Very low43.4Very low109 Ų109129.8 Ų129.851%0.50572%0.715SS.*  trans-83.4129.9161.3-137.260.5000110.9A212 R217 Q219A212-H215 PolarHBondContact O-N 2.9Å; H215-R217 PolarHBondContact O-N 3.01Å; H215-Q219 PolarHBondContact CD2-O 3.16Å; H215-Q219 VanDerWaalsContact NE2-CB 3.33Å; H215-Q219 WeakPolarHBondContact NE2-CB 3.42Å; H215-Q219 PolarHBondContact NE2-O 2.89Å
216F39.8Very low43.5Very low141 Ų141130.5 Ų130.562%0.61872%0.718SS**  trans-60.9116.3166.3-70.3-72.3000108S218 Q219F216-S218 PolarHBondContact O-N 3.37Å; F216-S218 VanDerWaalsContact O-N 3.11Å; F216-Q219 HydrophobicContact CB-CG 4.45Å; F216-Q219 PolarHBondContact O-N 3.47Å; F216-Q219 VanDerWaalsContact O-N 3.09Å
217R42Very low43.6Very low240 Ų240134.6 Ų134.691%0.90674%0.736SS**THydrogen-bonded Turntrans-44.9122173.8178.9179.9-85-933108.1H215H215-R217 PolarHBondContact O-N 3.01Å
218S43.7Very low43.3Very low117 Ų117129.5 Ų129.582%0.81873%0.733SS**THydrogen-bonded Turntrans92.93.8-178.577.30000119.6F216 V220F216-S218 PolarHBondContact O-N 3.37Å; F216-S218 VanDerWaalsContact O-N 3.11Å; S218-V220 PolarHBondContact O-N 2.73Å
219Q45.3Very low43.8Very low107 Ų107131.9 Ų131.950%0.573%0.734SS.*  trans-76.8117.9162.5-75.2-176.94.200110.1H215 F216H215-Q219 PolarHBondContact CD2-O 3.16Å; H215-Q219 VanDerWaalsContact NE2-CB 3.33Å; H215-Q219 WeakPolarHBondContact NE2-CB 3.42Å; H215-Q219 PolarHBondContact NE2-O 2.89Å; F216-Q219 HydrophobicContact CB-CG 4.45Å; F216-Q219 PolarHBondContact O-N 3.47Å; F216-Q219 VanDerWaalsContact O-N 3.09Å
220V47.5Very low44.4Very low127 Ų127132.2 Ų132.277%0.7773%0.728SS**  trans-112.9132.9171.6-1780000106.5S218 K222S218-V220 PolarHBondContact O-N 2.73Å; V220-K222 PolarHBondContact O-N 3.43Å; V220-K222 VanDerWaalsContact O-N 3.13Å
221I47.5Very low44.7Very low114 Ų114135.7 Ų135.759%0.58573%0.732SS**  trans-57.4120.2170.1-60.7170.7000106.6L223I221-L223 VanDerWaalsContact C-N 3.34Å; I221-L223 HydrophobicContact CG2-CG 4.36Å; I221-L223 PolarHBondContact O-N 3.17Å
222K45.9Very low45Very low191 Ų191134.6 Ų134.683%0.8372%0.718SS**  trans-63.5101.8167.4-84.1-174.5176.3-176.90107.1V220V220-K222 PolarHBondContact O-N 3.43Å; V220-K222 VanDerWaalsContact O-N 3.13Å
223L47.7Very low45.5Very low102 Ų102140.3 Ų140.353%0.53473%0.726SS.*  trans-87.1122.1164-73.2123.3000106.1I221 N225 L229I221-L223 VanDerWaalsContact C-N 3.34Å; I221-L223 HydrophobicContact CG2-CG 4.36Å; I221-L223 PolarHBondContact O-N 3.17Å; L223-N225 PolarHBondContact O-N 3.26Å; L223-N225 VanDerWaalsContact O-N 3.15Å; L223-N225 PolarHBondContact O-OD1 2.83Å; L223-L229 HydrophobicContact CD2-CD1 4.08Å
224D46.5Very low46.1Very low148 Ų148139.1 Ų139.179%0.79172%0.716SS**  trans-64.3116.4166.9-71.4-30.2000106.9N226D224-N226 PolarHBondContact O-N 3.33Å
225N45.7Very low46.6Very low160 Ų160135.1 Ų135.186%0.85670%0.697SS**THydrogen-bonded Turntrans-67.327.1-163.5-69.5-44.9000115.7L223L223-N225 PolarHBondContact O-N 3.26Å; L223-N225 VanDerWaalsContact O-N 3.15Å; L223-N225 PolarHBondContact O-OD1 2.83Å
226N49.6Very low47.2Very low154 Ų154137 Ų13782%0.82471%0.707SS**THydrogen-bonded Turntrans-119.2-19.9178.6-92.6-28.1000115.1D224 G228D224-N226 PolarHBondContact O-N 3.33Å; N226-G228 VanDerWaalsContact C-N 3.34Å; N226-G228 PolarHBondContact O-N 2.82Å; N226-G228 VanDerWaalsContact O-N 3.08Å
227D46.7Very low47.6Very low136 Ų136135.5 Ų135.573%0.72771%0.713SS**  trans-88.687172.4-68.7-13.4000107.5L229D227-L229 PolarHBondContact O-N 2.89Å
228G44.8Very low47.7Very low75 Ų75130.2 Ų130.277%0.77370%0.7SS**  trans-56.387165.900000108.9N226 A230N226-G228 VanDerWaalsContact C-N 3.34Å; N226-G228 PolarHBondContact O-N 2.82Å; N226-G228 VanDerWaalsContact O-N 3.08Å; G228-A230 PolarHBondContact O-N 3.21Å
229L50.1Low47.6Very low136 Ų136130.9 Ų130.971%0.71269%0.694SS**  trans-71.774.2172.1-68.8174.6000107.5L223 D227 H231L223-L229 HydrophobicContact CD2-CD1 4.08Å; D227-L229 PolarHBondContact O-N 2.89Å; L229-H231 PolarHBondContact O-N 2.9Å
230A50.3Low47.6Very low83 Ų83129.2 Ų129.269%0.68669%0.693SS**  trans-51.6132.7154.400000106.9G228 D232G228-A230 PolarHBondContact O-N 3.21Å; A230-D232 PolarHBondContact O-N 3.08Å
231H47.8Very low47.2Very low187 Ų187133 Ų13387%0.86669%0.693SS**  trans-53.6100.5175.5-63.4-74.6000109.6L229L229-H231 PolarHBondContact O-N 2.9Å
232D45.4Very low47Very low83 Ų83137.1 Ų137.144%0.44470%0.701SS.*  trans-92.4124.1173-175.83.2000108.8A230 K234 T235A230-D232 PolarHBondContact O-N 3.08Å; D232-K234 PolarHBondContact O-N 3.13Å; D232-K234 PolarHBondContact OD1-N 2.97Å; D232-T235 HydrophobicContact CB-CG2 4.49Å; D232-T235 WeakPolarHBondContact O-CA 3.41Å; D232-T235 WeakPolarHBondContact O-CB 3.4Å; D232-T235 PolarHBondContact O-N 2.94Å; D232-T235 PolarHBondContact O-OG1 2.66Å
233R52.8Low46.6Very low182 Ų182135.9 Ų135.969%0.68769%0.693SS**Hα-helixtrans-52-28.9179.2-174178.2179.7175.23.9112.9T235 E236R233-T235 PolarHBondContact O-N 2.98Å; R233-E236 PolarHBondContact O-N 3.24Å
234K51.9Low46.2Very low163 Ų163135.6 Ų135.671%0.70969%0.692SS**Hα-helixtrans-63.7-24.7174.9-66.6179.9-177.8173.60112.9D232 M238D232-K234 PolarHBondContact O-N 3.13Å; D232-K234 PolarHBondContact OD1-N 2.97Å; K234-M238 WeakPolarHBondContact O-CG 3.35Å
235T50.3Low45.9Very low82 Ų82138.1 Ų138.150%0.50369%0.69SS.*Hα-helixtrans-91.3-13.8-179.268.20000113.6D232 R233 S237 M238D232-T235 HydrophobicContact CB-CG2 4.49Å; D232-T235 WeakPolarHBondContact O-CA 3.41Å; D232-T235 WeakPolarHBondContact O-CB 3.4Å; D232-T235 PolarHBondContact O-N 2.94Å; D232-T235 PolarHBondContact O-OG1 2.66Å; R233-T235 PolarHBondContact O-N 2.98Å; T235-S237 PolarHBondContact O-N 3.19Å; T235-M238 PolarHBondContact O-N 3.32Å; T235-M238 VanDerWaalsContact O-N 3.08Å
236E49.1Very low45.6Very low150 Ų150134.2 Ų134.270%0.70169%0.688SS**Hα-helixtrans-64.4-29.7179.5-67.9-179.7164.100112.7R233R233-E236 PolarHBondContact O-N 3.24Å
237S49.4Very low45.1Very low108 Ų108130 Ų13076%0.75568%0.68SS**SBendtrans-97.2-9.317362.40000113.9T235 L239T235-S237 PolarHBondContact O-N 3.19Å; S237-L239 PolarHBondContact O-N 3.07Å
238M44.6Very low44.9Very low129 Ų129129.4 Ų129.464%0.63568%0.677SS**SBendtrans-84.7111.2175.1-61.7-76.4-8300105.6K234 T235K234-M238 WeakPolarHBondContact O-CG 3.35Å; T235-M238 PolarHBondContact O-N 3.32Å; T235-M238 VanDerWaalsContact O-N 3.08Å
239L40.1Very low44.9Very low132 Ų132131.9 Ų131.969%0.69168%0.676SS**  trans-35.3119.2164.3-89.3152.3000107S237 R241 Y243S237-L239 PolarHBondContact O-N 3.07Å; L239-R241 PolarHBondContact O-N 3.03Å; L239-Y243 HydrophobicContact CD1-CE2 4.4Å; L239-Y243 HydrophobicContact CD2-CE2 4.34Å
240P45Very low44.7Very low72 Ų72127.6 Ų127.647%0.46866%0.658SS.*  trans-52.8148.3-175.822.1-32.9000107.2W242P240-W242 HydrophobicContact CB-CG 4.22Å; P240-W242 VanDerWaalsContact CB-NE1 3.34Å; P240-W242 VanDerWaalsContact CG-CD1 3.44Å; P240-W242 HydrophobicContact CG-CD2 4.03Å; P240-W242 HydrophobicContact CG-CG 3.91Å; P240-W242 HydrophobicContact CG-CZ2 4.35Å; P240-W242 PolarHBondContact O-N 3.26Å
241R40.8Very low44.5Very low207 Ų207127.9 Ų127.978%0.78165%0.653SS**SBendtrans-61.234.9-176.9-70.8-170.4-174.7-1379.6114L239 Y243 D244L239-R241 PolarHBondContact O-N 3.03Å; R241-Y243 PolarHBondContact O-N 3.33Å; R241-D244 HydrophobicContact CB-CB 4.2Å; R241-D244 IonicContact NH1-OD2 3.34Å; R241-D244 PolarHBondContact NH1-OD2 2.66Å; R241-D244 WeakPolarHBondContact O-CB 3.22Å; R241-D244 PolarHBondContact O-N 3.37Å
242W42.3Very low44.1Very low200 Ų200124.2 Ų124.276%0.75866%0.655SS**THydrogen-bonded Turntrans-59.2-18168.9-65.822.1000112P240P240-W242 HydrophobicContact CB-CG 4.22Å; P240-W242 VanDerWaalsContact CB-NE1 3.34Å; P240-W242 VanDerWaalsContact CG-CD1 3.44Å; P240-W242 HydrophobicContact CG-CD2 4.03Å; P240-W242 HydrophobicContact CG-CG 3.91Å; P240-W242 HydrophobicContact CG-CZ2 4.35Å; P240-W242 PolarHBondContact O-N 3.26Å
243Y37.4Very low43.9Very low165 Ų165124.3 Ų124.365%0.64768%0.676SS**THydrogen-bonded Turntrans-91.1-7.6172.5-61.9-70.4000114.4L239 R241 R245L239-Y243 HydrophobicContact CD1-CE2 4.4Å; L239-Y243 HydrophobicContact CD2-CE2 4.34Å; R241-Y243 PolarHBondContact O-N 3.33Å; Y243-R245 WeakPolarHBondContact O-CG 3.48Å; Y243-R245 PolarHBondContact O-N 2.78Å
244D40Very low43.5Very low96 Ų96119.6 Ų119.651%0.51367%0.667SS.*  trans-78.674.4174.9-136.4-13.3000108.2R241 G246R241-D244 HydrophobicContact CB-CB 4.2Å; R241-D244 IonicContact NH1-OD2 3.34Å; R241-D244 PolarHBondContact NH1-OD2 2.66Å; R241-D244 WeakPolarHBondContact O-CB 3.22Å; R241-D244 PolarHBondContact O-N 3.37Å; D244-G246 PolarHBondContact O-N 3.44Å
245R40.9Very low42.8Very low200 Ų200115.6 Ų115.676%0.75567%0.672SS**G310 helixtrans-63.6-5.5-172.7-61.7-175.5-153-168.14.9113.8Y243Y243-R245 WeakPolarHBondContact O-CG 3.48Å; Y243-R245 PolarHBondContact O-N 2.78Å
246G38.6Very low42.2Very low78 Ų78112.9 Ų112.980%0.80466%0.658SS**G310 helixtrans-73.6-23.3-177.200000114.6D244D244-G246 PolarHBondContact O-N 3.44Å
247G39Very low41.5Very low65 Ų65108.4 Ų108.467%0.6765%0.652SS**G310 helixtrans-94.6-5.8-172.300000116.5V249G247-V249 PolarHBondContact O-N 2.8Å
248L42.1Very low41.1Very low124 Ų124111.4 Ų111.465%0.64966%0.658SS**  trans-82.184.3-176.4-65176.4000111.2S250L248-S250 PolarHBondContact O-N 2.7Å
249V44.3Very low41.1Very low127 Ų127108.1 Ų108.177%0.7765%0.651SS**  trans-71.898.5167.2-178.60000108.3G247G247-V249 PolarHBondContact O-N 2.8Å
250S46.9Very low41.3Very low47 Ų47104.2 Ų104.233%0.32964%0.643SS.*PPolyproline II helixtrans-66.3134166.9-61.40000108.6L248 A252L248-S250 PolarHBondContact O-N 2.7Å; S250-A252 PolarHBondContact O-N 3.03Å
251P45Very low40.9Very low88 Ų88108.2 Ų108.257%0.57166%0.657SS**PPolyproline II helixtrans-54.8126.2178.2-24.833.4000111G253 T254P251-G253 PolarHBondContact O-N 3.03Å; P251-T254 PolarHBondContact O-N 3.24Å; P251-T254 PolarHBondContact O-OG1 3.05Å
252A40Very low40.7Very low111 Ų111100 Ų10092%0.91764%0.636SS**THydrogen-bonded Turntrans-55.2131173.500000109.5S250S250-A252 PolarHBondContact O-N 3.03Å
253G42.3Very low40.4Very low85 Ų8598.7 Ų98.788%0.87664%0.639SS**THydrogen-bonded Turntrans105.2-21.2-178.700000114.6P251 G255P251-G253 PolarHBondContact O-N 3.03Å; G253-G255 PolarHBondContact O-N 3.24Å
254T42.9Very low40.7Very low83 Ų8396.7 Ų96.751%0.50965%0.646SS.*SBendtrans-80.6106.9159.27.40000106.3P251 A256P251-T254 PolarHBondContact O-N 3.24Å; P251-T254 PolarHBondContact O-OG1 3.05Å; T254-A256 PolarHBondContact O-N 3.03Å
255G37.5Very low40.7Very low78 Ų78102.9 Ų102.980%0.80466%0.662SS**  trans-59.729.3177.100000115.7G253 G257G253-G255 PolarHBondContact O-N 3.24Å; G255-G257 VanDerWaalsContact C-N 3.25Å; G255-G257 PolarHBondContact O-N 2.83Å
256A39.1Very low40.9Very low25 Ų25101.9 Ų101.921%0.20767%0.666CS.*  trans-6985.316100000108.1T254 I258T254-A256 PolarHBondContact O-N 3.03Å; A256-I258 PolarHBondContact O-N 2.66Å
257G34.2Very low41.6Very low56 Ų56105.1 Ų105.158%0.57766%0.663SS**  trans-47.2127.5153.300000108G255G255-G257 VanDerWaalsContact C-N 3.25Å; G255-G257 PolarHBondContact O-N 2.83Å
258I41.2Very low42.3Very low172 Ų172108.8 Ų108.888%0.88267%0.666SS**SBendtrans26.299.6163.2-53.5173.4000113.5A256A256-I258 PolarHBondContact O-N 2.66Å
259A43.8Very low43Very low59 Ų59107.6 Ų107.649%0.48866%0.664SS.*SBendtrans73.576.617400000116.1M261A259-M261 PolarHBondContact O-N 3.01Å
260G44.5Very low43Very low51 Ų51107 Ų10753%0.52666%0.663SS.*SBendtrans61.3-23.2143.200000120G262G260-G262 VanDerWaalsContact C-N 3.3Å; G260-G262 PolarHBondContact O-N 2.92Å
261M35.5Very low43.3Very low155 Ų155109.7 Ų109.776%0.76468%0.677SS**  trans-90.972.1169.6-69.4174.5-54.200106.5A259 H263A259-M261 PolarHBondContact O-N 3.01Å; M261-H263 PolarHBondContact O-N 3.11Å
262G37.9Very low43.5Very low34 Ų34115.2 Ų115.235%0.35169%0.692SS.*  trans-50.814215900000108.4G260G260-G262 VanDerWaalsContact C-N 3.3Å; G260-G262 PolarHBondContact O-N 2.92Å
263H34.6Very low44Very low173 Ų173113.8 Ų113.880%0.80167%0.669SS**  trans-47129.8179.2-74.5-36.5000109.6M261 R265M261-H263 PolarHBondContact O-N 3.11Å; H263-R265 PolarHBondContact O-N 3.19Å
264P45.6Very low45.1Very low124 Ų124117.7 Ų117.781%0.80567%0.668SS**  trans-54.6115.8-179.322.4-31.9000106.9Q266P264-Q266 PolarHBondContact O-N 2.64Å; P264-Q266 VanDerWaalsContact O-N 3.08Å
265R39.4Very low45.7Very low225 Ų225123.2 Ų123.285%0.84968%0.681SS**  trans-59.8121.5173.3-60.7-171.6-148.5-145.75.8105.1H263 I267H263-R265 PolarHBondContact O-N 3.19Å; R265-I267 VanDerWaalsContact C-N 3.33Å; R265-I267 PolarHBondContact O-N 3.14Å
266Q45.1Very low46.8Very low180 Ų180124.9 Ų124.984%0.84168%0.678SS**  trans-62.2101.6174.4-123.5178.8-5.500106.8P264 I268P264-Q266 PolarHBondContact O-N 2.64Å; P264-Q266 VanDerWaalsContact O-N 3.08Å; Q266-I268 VanDerWaalsContact C-N 3.29Å; Q266-I268 PolarHBondContact O-N 3.21Å
267I53.5Low48.1Very low145 Ų145128.7 Ų128.774%0.74469%0.694SS**  trans-75.693.4170.8-58.2175.9000104.9R265 T269R265-I267 VanDerWaalsContact C-N 3.33Å; R265-I267 PolarHBondContact O-N 3.14Å; I267-T269 VanDerWaalsContact C-N 3.29Å; I267-T269 PolarHBondContact O-N 3.3Å; I267-T269 VanDerWaalsContact O-N 3.07Å
268I52.4Low50.3Low143 Ų143130.6 Ų130.673%0.73369%0.69SS**  trans-76.292.3167.5-56.9173.6000105.3Q266 P270Q266-I268 VanDerWaalsContact C-N 3.29Å; Q266-I268 PolarHBondContact O-N 3.21Å; I268-P270 WeakPolarHBondContact O-CD 3.43Å
269T56.4Low52.3Low98 Ų98128.4 Ų128.460%0.60168%0.676SS**  trans-77.7112.2168.4-56.70000107.3I267 V271I267-T269 VanDerWaalsContact C-N 3.29Å; I267-T269 PolarHBondContact O-N 3.3Å; I267-T269 VanDerWaalsContact O-N 3.07Å; T269-V271 PolarHBondContact O-N 3.25Å
270P44.7Very low54Low114 Ų114131.7 Ų131.774%0.7468%0.682SS**  trans-67.4104.1167.328.3-31.7000107.2I268 K272I268-P270 WeakPolarHBondContact O-CD 3.43Å; P270-K272 PolarHBondContact O-N 3.02Å; P270-K272 VanDerWaalsContact O-N 3.14Å
271V54.2Low55.7Low105 Ų105133.2 Ų133.264%0.63668%0.678SS**  trans-69.2110.6170.5-169.40000106T269 D273T269-V271 PolarHBondContact O-N 3.25Å; V271-D273 WeakPolarHBondContact CG1-OD1 3.41Å; V271-D273 PolarHBondContact O-N 3.16Å; V271-D273 VanDerWaalsContact O-N 3.07Å
272K49.6Very low57.7Low204 Ų204128.5 Ų128.589%0.88766%0.655SS**  trans-81.183.7169.4-156.2177-174.1-178.10105.7P270 I274P270-K272 PolarHBondContact O-N 3.02Å; P270-K272 VanDerWaalsContact O-N 3.14Å; K272-I274 PolarHBondContact O-N 3.04Å
273D49.8Very low59.7Low81 Ų81130.8 Ų130.843%0.43366%0.658SS.*  trans-57.1132.2-174.5-68.2-40.7000110.4V271 Y275V271-D273 WeakPolarHBondContact CG1-OD1 3.41Å; V271-D273 PolarHBondContact O-N 3.16Å; V271-D273 VanDerWaalsContact O-N 3.07Å; D273-Y275 WeakPolarHBondContact CB-O 3.34Å; D273-Y275 PolarHBondContact O-N 3.38Å
274I64.2Low61.6Low167 Ų167126.2 Ų126.286%0.85664%0.64SS**SBendtrans-64.6-22.1173.6-63.8168.5000110.3K272K272-I274 PolarHBondContact O-N 3.04Å
275Y55.4Low62.8Low199 Ų199123.8 Ų123.878%0.7863%0.626SS**SBendtrans-123107.7169.3-92.1-93.5000108.3D273 L277D273-Y275 WeakPolarHBondContact CB-O 3.34Å; D273-Y275 PolarHBondContact O-N 3.38Å; Y275-L277 PolarHBondContact O-N 3.25Å
276P62.4Low64.3Low112 Ų112120 Ų12073%0.72762%0.616SS**PPolyproline II helixtrans-58.5116.4172.325-31.6000107.9L278P276-L278 PolarHBondContact O-N 3.19Å; P276-L278 VanDerWaalsContact O-N 3.16Å
277L65.9Low65.7Low106 Ų106118.5 Ų118.556%0.55561%0.607SS**PPolyproline II helixtrans-57121.8171.8-70.6169.1000107.4Y275 D281 I282Y275-L277 PolarHBondContact O-N 3.25Å; L277-D281 HydrophobicContact CD2-CB 4.29Å; L277-I282 HydrophobicContact CB-CD1 4.38Å; L277-I282 HydrophobicContact CB-CG1 4.08Å
278L79.3Confident66.1Low95 Ų95118 Ų11850%0.49760%0.604SS.*PPolyproline II helixtrans-65.7148.7174.9-147.579.4000107.8P276 E280 D281 I282P276-L278 PolarHBondContact O-N 3.19Å; P276-L278 VanDerWaalsContact O-N 3.16Å; L278-E280 HydrophobicContact CD2-CB 4.2Å; L278-E280 VanDerWaalsContact CD2-CD 3.41Å; L278-E280 HydrophobicContact CD2-CG 3.75Å; L278-E280 WeakPolarHBondContact CD2-OE1 3.2Å; L278-E280 HydrophobicContact CG-CG 4.37Å; L278-E280 PolarHBondContact O-N 2.97Å; L278-D281 PolarHBondContact N-OD2 2.99Å; L278-D281 WeakPolarHBondContact O-CB 3.49Å; L278-D281 PolarHBondContact O-N 3.3Å; L278-I282 PolarHBondContact O-N 2.92Å
279E83.1Confident66.3Low126 Ų126116.9 Ų116.959%0.58960%0.598SS**Hα-helixtrans-52.7-31.6177.9-171.665.1-140.400111.4I282 I283E279-I282 PolarHBondContact O-N 2.94Å; E279-I283 HydrophobicContact CG-CD1 4.08Å; E279-I283 VanDerWaalsContact O-CG1 3.25Å; E279-I283 WeakPolarHBondContact O-CG1 3.15Å; E279-I283 PolarHBondContact O-N 3.07Å
280E80.7Confident66Low128 Ų128116 Ų11660%0.59859%0.594SS**Hα-helixtrans-60.5-42174.9-51.1-178.8-150.900113.4L278 I283 N284L278-E280 HydrophobicContact CD2-CB 4.2Å; L278-E280 VanDerWaalsContact CD2-CD 3.41Å; L278-E280 HydrophobicContact CD2-CG 3.75Å; L278-E280 WeakPolarHBondContact CD2-OE1 3.2Å; L278-E280 HydrophobicContact CG-CG 4.37Å; L278-E280 PolarHBondContact O-N 2.97Å; E280-I283 PolarHBondContact O-N 3.02Å; E280-N284 WeakPolarHBondContact O-CB 3.12Å; E280-N284 PolarHBondContact O-N 3.33Å; E280-N284 PolarHBondContact O-ND2 3.14Å
281D80.4Confident66.1Low84 Ų84121.6 Ų121.645%0.44960%0.601SS.*Hα-helixtrans-69.3-39.1179.1-66.6-36.9000110.9L277 L278 N284 S285L277-D281 HydrophobicContact CD2-CB 4.29Å; L278-D281 PolarHBondContact N-OD2 2.99Å; L278-D281 WeakPolarHBondContact O-CB 3.49Å; L278-D281 PolarHBondContact O-N 3.3Å; D281-N284 PolarHBondContact O-N 3.22Å; D281-S285 WeakPolarHBondContact O-CB 3.49Å; D281-S285 PolarHBondContact O-N 2.84Å
282I77.4Confident65.8Low55 Ų55120.1 Ų120.128%0.28260%0.6SS.*Hα-helixtrans-63-46.4175.1-60.4174.4000109.6L277 L278 E279 N284 S285 K286L277-I282 HydrophobicContact CB-CD1 4.38Å; L277-I282 HydrophobicContact CB-CG1 4.08Å; L278-I282 PolarHBondContact O-N 2.92Å; E279-I282 PolarHBondContact O-N 2.94Å; I282-N284 PolarHBondContact O-N 3.18Å; I282-S285 PolarHBondContact O-N 3.42Å; I282-S285 PolarHBondContact O-OG 3.07Å; I282-K286 WeakPolarHBondContact O-CG 3.42Å; I282-K286 PolarHBondContact O-N 3.25Å
283I78.9Confident65.5Low82 Ų82115.2 Ų115.242%0.42159%0.587SS.*Hα-helixtrans-61.6-43.4176.7-68.7165.2000110.9E279 E280 K286 K287E279-I283 HydrophobicContact CG-CD1 4.08Å; E279-I283 VanDerWaalsContact O-CG1 3.25Å; E279-I283 WeakPolarHBondContact O-CG1 3.15Å; E279-I283 PolarHBondContact O-N 3.07Å; E280-I283 PolarHBondContact O-N 3.02Å; I283-K286 PolarHBondContact O-N 2.93Å; I283-K287 PolarHBondContact O-N 2.77Å
284N76.1Confident65.2Low77 Ų77114.1 Ų114.141%0.41259%0.589SS.*Hα-helixtrans-67-36.9178.6-76.4-25.6000112.7E280 D281 I282 K286 K287 I288E280-N284 WeakPolarHBondContact O-CB 3.12Å; E280-N284 PolarHBondContact O-N 3.33Å; E280-N284 PolarHBondContact O-ND2 3.14Å; D281-N284 PolarHBondContact O-N 3.22Å; I282-N284 PolarHBondContact O-N 3.18Å; N284-K286 VanDerWaalsContact C-N 3.29Å; N284-K286 PolarHBondContact O-N 3.22Å; N284-K287 WeakPolarHBondContact O-CB 3.43Å; N284-K287 PolarHBondContact O-N 3.26Å; N284-K287 VanDerWaalsContact O-N 3.17Å; N284-K287 PolarHBondContact OD1-NZ 2.93Å; N284-I288 PolarHBondContact O-N 3.43Å
285S70.8Confident64.3Low74 Ų74112.3 Ų112.352%0.51759%0.588SS.*Hα-helixtrans-61.8-37.3175.476.40000112.3D281 I282 K287 I288D281-S285 WeakPolarHBondContact O-CB 3.49Å; D281-S285 PolarHBondContact O-N 2.84Å; I282-S285 PolarHBondContact O-N 3.42Å; I282-S285 PolarHBondContact O-OG 3.07Å; S285-K287 VanDerWaalsContact C-N 3.31Å; S285-K287 PolarHBondContact O-N 3.08Å; S285-I288 CarbonylContact O-C 3.57Å; S285-I288 PolarHBondContact O-N 3.11Å
286K70.3Confident63.8Low145 Ų145106.2 Ų106.263%0.6358%0.575SS**Hα-helixtrans-70.4-24.4177.2-69.9174.4-177.7171.70113.2I282 I283 N284 I288I282-K286 WeakPolarHBondContact O-CG 3.42Å; I282-K286 PolarHBondContact O-N 3.25Å; I283-K286 PolarHBondContact O-N 2.93Å; N284-K286 VanDerWaalsContact C-N 3.29Å; N284-K286 PolarHBondContact O-N 3.22Å; K286-I288 VanDerWaalsContact C-N 3.33Å
287K73.3Confident62.9Low149 Ų149109.5 Ų109.565%0.64859%0.585SS**Hα-helixtrans-69.7-33.6173.6-68.3174.7-173.6161.20111.5I283 N284 S285 I289I283-K287 PolarHBondContact O-N 2.77Å; N284-K287 WeakPolarHBondContact O-CB 3.43Å; N284-K287 PolarHBondContact O-N 3.26Å; N284-K287 VanDerWaalsContact O-N 3.17Å; N284-K287 PolarHBondContact OD1-NZ 2.93Å; S285-K287 VanDerWaalsContact C-N 3.31Å; S285-K287 PolarHBondContact O-N 3.08Å; K287-I289 VanDerWaalsContact C-N 3.32Å; K287-I289 PolarHBondContact O-N 3.1Å
288I62.3Low61.9Low133 Ų133112.3 Ų112.368%0.68260%0.595SS**  trans-90.374.3178.1-53.2170.9000107.7N284 S285 K286 P290N284-I288 PolarHBondContact O-N 3.43Å; S285-I288 CarbonylContact O-C 3.57Å; S285-I288 PolarHBondContact O-N 3.11Å; K286-I288 VanDerWaalsContact C-N 3.33Å; I288-P290 VanDerWaalsContact O-CD 3.3Å; I288-P290 WeakPolarHBondContact O-CD 3.36Å
289I57Low60.3Low121 Ų121112.4 Ų112.462%0.62160%0.604SS**  trans-71.6117.1163.2-55.8177.2000105.6K287 W291K287-I289 VanDerWaalsContact C-N 3.32Å; K287-I289 PolarHBondContact O-N 3.1Å; I289-W291 PolarHBondContact O-N 2.89Å
290P49.4Very low58.4Low80 Ų80111.2 Ų111.252%0.51960%0.598SS.*  trans-58.4122.1171.524.8-31.4000106.6I288 A292 T293I288-P290 VanDerWaalsContact O-CD 3.3Å; I288-P290 WeakPolarHBondContact O-CD 3.36Å; P290-A292 PolarHBondContact O-N 3.23Å; P290-T293 PolarHBondContact O-N 2.96Å; P290-T293 PolarHBondContact O-OG1 2.84Å
291W47.3Very low56.6Low230 Ų230113.8 Ų113.887%0.87161%0.61SS**G310 helixtrans-49.5-10.4177.855.1-93000114.1I289 T293 A294I289-W291 PolarHBondContact O-N 2.89Å; W291-T293 VanDerWaalsContact C-N 3.33Å; W291-T293 PolarHBondContact O-N 2.87Å; W291-A294 PolarHBondContact O-N 3.29Å
292A48.7Very low55Low75 Ų75113.7 Ų113.762%0.6263%0.63SS**G310 helixtrans-70.2-14.4172.700000115.6P290P290-A292 PolarHBondContact O-N 3.23Å
293T43.4Very low53.5Low101 Ų101115.4 Ų115.462%0.6264%0.643SS**G310 helixtrans-103.36.4172.939.40000114.2P290 W291 P295P290-T293 PolarHBondContact O-N 2.96Å; P290-T293 PolarHBondContact O-OG1 2.84Å; W291-T293 VanDerWaalsContact C-N 3.33Å; W291-T293 PolarHBondContact O-N 2.87Å; T293-P295 WeakPolarHBondContact O-CD 3.49Å
294A42.4Very low51.7Low57 Ų57115.9 Ų115.947%0.47167%0.668SS.*SBendtrans-62.6128157.100000106.7W291 S296W291-A294 PolarHBondContact O-N 3.29Å; A294-S296 PolarHBondContact O-N 2.67Å
295P46.5Very low50Low129 Ų129114.4 Ų114.484%0.83867%0.671SS**  trans-69.669.5173.330.2-32.8000107.8T293 L297T293-P295 WeakPolarHBondContact O-CD 3.49Å; P295-L297 PolarHBondContact O-N 2.93Å
296S45Very low48.5Very low72 Ų72119.9 Ų119.950%0.50369%0.685SS.*  trans-65133.1168.774.30000105.8A294 Q298A294-S296 PolarHBondContact O-N 2.67Å; S296-Q298 PolarHBondContact O-N 3.43Å
297L43.3Very low47.1Very low180 Ų180121.1 Ų121.194%0.94269%0.694SS**  trans-64.636.3180-65.6156.3000112.4P295 S299P295-L297 PolarHBondContact O-N 2.93Å; L297-S299 VanDerWaalsContact C-N 3.31Å; L297-S299 PolarHBondContact O-N 3.31Å
298Q43.5Very low45.6Very low165 Ų165122.1 Ų122.177%0.77170%0.698SS**  trans-65.196.3170.2-78.1179.2-17.300107.5S296 Q300S296-Q298 PolarHBondContact O-N 3.43Å; Q298-Q300 PolarHBondContact O-N 3.48Å
299S45.7Very low44.6Very low97 Ų97127 Ų12768%0.67871%0.708SS**  trans-51.2107.6170.757.40000108.2L297 Q301L297-S299 VanDerWaalsContact C-N 3.31Å; L297-S299 PolarHBondContact O-N 3.31Å; S299-Q301 PolarHBondContact O-N 3.4Å
300Q44Very low44Very low101 Ų101132.1 Ų132.147%0.47272%0.719SS.*  trans-75.546.8-179.2-154.1177.426.700110.9Q298 G302 T303Q298-Q300 PolarHBondContact O-N 3.48Å; Q300-G302 PolarHBondContact O-N 2.99Å; Q300-T303 WeakPolarHBondContact CG-OG1 3.33Å; Q300-T303 PolarHBondContact NE2-OG1 3.3Å
301Q43.5Very low44.1Very low182 Ų182135.5 Ų135.585%0.8573%0.733SS**SBendtrans-72.9112.8164.7-94.8-170.9-28.400107.4S299S299-Q301 PolarHBondContact O-N 3.4Å
302G47.2Very low43.8Very low83 Ų83130.5 Ų130.586%0.85673%0.728SS**SBendtrans101.8-0.1168.600000117Q300Q300-G302 PolarHBondContact O-N 2.99Å
303T45.5Very low43.7Very low91 Ų91133.5 Ų133.556%0.55874%0.738SS**  trans-110.1107.3171.275.50000110.2Q300 G305Q300-T303 WeakPolarHBondContact CG-OG1 3.33Å; Q300-T303 PolarHBondContact NE2-OG1 3.3Å; T303-G305 PolarHBondContact O-N 3.23Å
304G41.7Very low43.5Very low92 Ų92135.7 Ų135.795%0.94875%0.745SS**  trans-71.553.2179.800000113.3
305G39.6Very low43.3Very low45 Ų45136.6 Ų136.646%0.46476%0.759SS.*  trans-81.9114.418000000112T303T303-G305 PolarHBondContact O-N 3.23Å
306F39.8Very low42.9Very low189 Ų189135.2 Ų135.283%0.82975%0.753SS**SBendtrans-42.5143.8160.7-122.8-112.8000110.4
307Q39.7Very low42.5Very low172 Ų172137.2 Ų137.280%0.80477%0.767SS**  trans10024174.7-97104.5-23.100121.6R309Q307-R309 PolarHBondContact O-N 3.34Å; Q307-R309 VanDerWaalsContact O-N 3.17Å
308K42Very low42.2Very low169 Ų169132.5 Ų132.574%0.73576%0.762SS**  trans-74.1108.8159.2-92.5-173.3179-1790111.2R310K308-R310 PolarHBondContact O-N 3.3Å
309R42.4Very low41.9Very low235 Ų235134.1 Ų134.189%0.88779%0.791SS**PPolyproline II helixtrans-61.6121.5158.3-70.1-156.3-179.7-150.43.3106.9Q307 D311Q307-R309 PolarHBondContact O-N 3.34Å; Q307-R309 VanDerWaalsContact O-N 3.17Å; R309-D311 PolarHBondContact O-N 3.5Å
310R43.6Very low41.7Very low229 Ų229136 Ų13686%0.86480%0.797SS**PPolyproline II helixtrans-69.7120.1171.6-77.9178.5-90.6119.5-5.1107.1K308 V312K308-R310 PolarHBondContact O-N 3.3Å; R310-V312 PolarHBondContact O-N 2.83Å
311D51Low41.6Very low152 Ų152137.8 Ų137.881%0.81381%0.814SS**PPolyproline II helixtrans-60.9118.8171.8-67.2-32.5000108.4R309 T313R309-D311 PolarHBondContact O-N 3.5Å; D311-T313 PolarHBondContact O-N 2.98Å
312V41.1Very low41.5Very low125 Ų125135.3 Ų135.376%0.75881%0.812SS**  trans-82.7104.1171173.80000105.8R310 I314R310-V312 PolarHBondContact O-N 2.83Å; V312-I314 PolarHBondContact O-N 3.28Å
313T46.2Very low41.2Very low137 Ų137138.4 Ų138.484%0.8481%0.809SS**  trans-73.6109.5167.2430000108.3D311 G315D311-T313 PolarHBondContact O-N 2.98Å; T313-G315 PolarHBondContact O-N 2.94Å
314I41.1Very low40.9Very low148 Ų148141.4 Ų141.476%0.75983%0.825SS**  trans-69124.5173.6-63165.5000107.2V312V312-I314 PolarHBondContact O-N 3.28Å
315G37.5Very low40.9Very low75 Ų75144.7 Ų144.777%0.77382%0.817SS**  trans-69.4137.1167.900000111.2T313T313-G315 PolarHBondContact O-N 2.94Å
316S38.7Very low41Very low100 Ų100151.8 Ų151.870%0.69984%0.842SS**  trans-148.8100.8162.153.80000105.7
317S36.1Very low41.1Very low114 Ų114148.9 Ų148.980%0.79784%0.843SS**  67101.586.772.30000113.9
318G35.7Very low41.2Very low82 Ų82147 Ų14785%0.84585%0.846SS**  trans63.8109.2140.600000119.4
319S38.9Very low41.1Very low198 Ų198145 Ų145100%1.38586%0.856SS**  -165.70114.569.60000109.3

Retrieved 319 of 319 residues in 168.5 ms (Link to these results)