A0A096NSS4_PAPAN Loading...

Inhibitory synaptic factor 2A

AlphaFold DB , UniProt , Accession A0A096NSS4, Species PAPAN (Papio anubis, Olive baboon), Gene INSYN2A, Length 479 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
1M35.1Very low36.7Very low234 Ų234144 Ų144100%1.15380%0.799SS**  0144.80-83.114654.800108.9
2V36.7Very low36Very low128 Ų128141.5 Ų141.578%0.77679%0.791SS**  trans38.198.2150.9-173.80000118.1
3S40.2Very low36.1Very low111 Ų111140.5 Ų140.578%0.77679%0.791SS**  61.7161125.1-48.80000120
4K46.5Very low35.8Very low200 Ų200138.4 Ų138.487%0.8779%0.79SS**  cis-150.6143.218.7-156170.8-178.2-179.30112
5D48.4Very low35.9Very low121 Ų121141.1 Ų141.165%0.64779%0.793SS**  trans-88.7165.6175.1-157.4-41000110.9
6T42Very low35.6Very low140 Ų140140.3 Ų140.386%0.85980%0.799SS**  trans136.1128.9165.5440000111.6
7G33.8Very low35.4Very low63 Ų63142.3 Ų142.365%0.64980%0.8SS**  cis-152.4151-13.400000108.4
8K35.2Very low35.5Very low186 Ų186140.6 Ų140.681%0.80979%0.793SS**  74134.454.3-80.2-169.4175.7177.10115.3
9C26.1Very low35.8Very low112 Ų112142.8 Ų142.876%0.75780%0.796SS**  trans84.3145.1160.9-63.20000119.1
10I30.3Very low35.6Very low137 Ų137141.7 Ų141.770%0.70380%0.799SS**  cis-168.6144.1-30.6-130.7168.5000109.8
11L30.1Very low35.4Very low152 Ų152139.4 Ų139.480%0.79680%0.798SS**  trans55.7178.2167.8-61.8169.6000114.8
12T27.7Very low35.4Very low114 Ų114132.9 Ų132.970%0.69978%0.781SS**  cis-143.4172.1-2.3-24.70000109.7
13T37.9Very low35.2Very low129 Ų129132.6 Ų132.679%0.79178%0.783SS**  trans-54.3143.416447.20000113.5
14S31.1Very low35.1Very low110 Ų110135.3 Ų135.377%0.76979%0.788SS**  trans-153.3145.9158.4-590000110.4
15E37.1Very low34.7Very low179 Ų179130.5 Ų130.584%0.83679%0.786SS**  trans-80.5151.9176.154.4-92.270.600113.3
16S31.5Very low34.4Very low128 Ų128132.7 Ų132.790%0.89580%0.796SS**  trans-163.3153.9149.4-152.80000111.5
17E32.8Very low34.3Very low175 Ų175132.3 Ų132.382%0.81879%0.785SS**  trans-126.9172.3-176.1-162.4-169.3128.700109.5
18V37Very low34.6Very low112 Ų112136.5 Ų136.568%0.67979%0.789SS**  trans78.393.5163.4-167.20000118.4
19E40.7Very low34.5Very low182 Ų182135 Ų13585%0.8578%0.783SS**  49.9129.4118-156.8175.7138.500122.1
20S32.4Very low35.2Very low121 Ų121139 Ų13985%0.84678%0.784SS**  trans-158.9153.5154.7-86.60000114.1
21A30.8Very low35.6Very low94 Ų94137.5 Ų137.578%0.77779%0.791SS**  trans-24.7136.2179.200000118
22A34.7Very low36.4Very low96 Ų96137.9 Ų137.979%0.79379%0.793SS**  70.886.954.700000115
23C32.1Very low37.2Very low122 Ų122136.9 Ų136.982%0.82478%0.784SS**  trans-167.3147.5162.6-95.30000106.9
24L38.9Very low37.7Very low168 Ų168137 Ų13788%0.8879%0.787SS**  cis-131.8137.18.3-64.6165.7000110.4
25A38.9Very low38.3Very low99 Ų99138.2 Ų138.282%0.81879%0.785SS**  trans-111.6127.6160.700000108.4E27A25-E27 PolarHBondContact O-N 3.49Å
26L40.6Very low38.7Very low167 Ų167138.8 Ų138.887%0.87478%0.779SS**  trans-83.998.8-166.3-143.8170.5000111.2M28L26-M28 PolarHBondContact O-N 3.09Å
27E41.6Very low39.6Very low133 Ų133141.2 Ų141.262%0.62178%0.776SS**  trans-80.698.7-172.5-162-164150.500112.7A25 K29A25-E27 PolarHBondContact O-N 3.49Å; E27-K29 HydrophobicContact CG-CG 4.17Å; E27-K29 PolarHBondContact O-N 3.2Å; E27-K29 WeakPolarHBondContact OE1-CG 3.32Å; E27-K29 IonicContact OE1-NZ 2.72Å; E27-K29 PolarHBondContact OE1-NZ 2.87Å; E27-K29 WeakPolarHBondContact OE2-CE 3.49Å; E27-K29 IonicContact OE2-NZ 2.64Å; E27-K29 PolarHBondContact OE2-NZ 3.37Å
28M39.1Very low40.2Very low150 Ų150137.6 Ų137.674%0.73976%0.761SS**  trans-70.990.5171.1-77-178.163.200111.7L26 Y30L26-M28 PolarHBondContact O-N 3.09Å; M28-Y30 HydrophobicContact CE-CD2 4.5Å; M28-Y30 HydrophobicContact CE-CE2 3.95Å; M28-Y30 PolarHBondContact O-N 2.96Å
29K33.9Very low41.2Very low156 Ų156141.6 Ų141.668%0.67877%0.77SS**  trans-74.583.1179.5-64.6-177.8-169.8-76.20112.9E27 A31E27-K29 HydrophobicContact CG-CG 4.17Å; E27-K29 PolarHBondContact O-N 3.2Å; E27-K29 WeakPolarHBondContact OE1-CG 3.32Å; E27-K29 IonicContact OE1-NZ 2.72Å; E27-K29 PolarHBondContact OE1-NZ 2.87Å; E27-K29 WeakPolarHBondContact OE2-CE 3.49Å; E27-K29 IonicContact OE2-NZ 2.64Å; E27-K29 PolarHBondContact OE2-NZ 3.37Å; K29-A31 PolarHBondContact O-N 3.29Å
30Y40Very low42Very low196 Ų196142.2 Ų142.277%0.76977%0.77SS**  trans-79.6109.5160-90.4-85.7000110.1M28 L32M28-Y30 HydrophobicContact CE-CD2 4.5Å; M28-Y30 HydrophobicContact CE-CE2 3.95Å; M28-Y30 PolarHBondContact O-N 2.96Å; Y30-L32 PolarHBondContact O-N 3.16Å
31A39.5Very low42.7Very low104 Ų104145.9 Ų145.986%0.8677%0.765SS**  trans-67.5115.2177.200000110.8K29K29-A31 PolarHBondContact O-N 3.29Å
32L45.8Very low43.6Very low160 Ų160148.9 Ų148.984%0.83877%0.768SS**  trans-86.3122.2174.1-69.2175.3000110.5Y30Y30-L32 PolarHBondContact O-N 3.16Å
33D44.9Very low44.5Very low94 Ų94153 Ų15350%0.50377%0.768SS.*  trans-47.6119.7170.9166.219.2000111.8N35 R36D33-N35 PolarHBondContact O-N 3.21Å; D33-N35 PolarHBondContact OD1-N 3.23Å; D33-R36 IonicContact OD2-NE 2.66Å
34P48.9Very low45.8Very low132 Ų132151.5 Ų151.586%0.85777%0.765SS**THydrogen-bonded Turntrans-64.6-19.9-179.6-23.134000114.9
35N42.6Very low46.9Very low135 Ų135150.3 Ų150.372%0.72276%0.758SS**THydrogen-bonded Turntrans-102.130.8-166.2-152.1-3.2000114.7D33D33-N35 PolarHBondContact O-N 3.21Å; D33-N35 PolarHBondContact OD1-N 3.23Å
36R45.3Very low48Very low191 Ų191154.4 Ų154.472%0.72176%0.76SS**  trans-102106.1165.8-70-170.8174.8-130.9-3.1111D33 I38D33-R36 IonicContact OD2-NE 2.66Å; R36-I38 VanDerWaalsContact C-N 3.25Å; R36-I38 HydrophobicContact CB-CD1 4.48Å; R36-I38 HydrophobicContact CB-CG1 4.17Å; R36-I38 PolarHBondContact O-N 3.35Å
37Q51.3Low49Very low179 Ų179150.8 Ų150.884%0.83675%0.745SS**  trans-67.876.2172.7-65.8-171.710.100111.9K39Q37-K39 VanDerWaalsContact C-N 3.3Å; Q37-K39 PolarHBondContact O-N 2.93Å
38I45Very low50.3Low98 Ų98152.2 Ų152.250%0.50375%0.745SS.*  trans-76.883.9179.1-58.2177.6000109.6R36 K40 R41R36-I38 VanDerWaalsContact C-N 3.25Å; R36-I38 HydrophobicContact CB-CD1 4.48Å; R36-I38 HydrophobicContact CB-CG1 4.17Å; R36-I38 PolarHBondContact O-N 3.35Å; I38-K40 PolarHBondContact O-N 3.27Å; I38-K40 VanDerWaalsContact O-N 3.15Å; I38-R41 HydrophobicContact CG2-CG 4.24Å
39K57.4Low51.3Low197 Ų197153.4 Ų153.486%0.85775%0.746SS**  trans-66.1107.5-173.5-158.5168.3-170.8168.80111.6Q37Q37-K39 VanDerWaalsContact C-N 3.3Å; Q37-K39 PolarHBondContact O-N 2.93Å
40K58.5Low53.2Low195 Ų195152.9 Ų152.985%0.84874%0.744SS**  trans5972.5162.7-161.5178.1-175.7177.30115.7I38I38-K40 PolarHBondContact O-N 3.27Å; I38-K40 VanDerWaalsContact O-N 3.15Å
41R46.8Very low54.6Low197 Ų197145.9 Ų145.974%0.74372%0.72SS**  trans-63.4141.7155.9-59.4-171.2-172.7108.6-7.6109.2I38 K43I38-R41 HydrophobicContact CG2-CG 4.24Å; R41-K43 PolarHBondContact O-N 2.78Å
42N49.9Very low56.1Low157 Ų157144.2 Ų144.284%0.8470%0.696SS**  trans-79.1122.1-174.5-153.7-17.9000110.5A44N42-A44 PolarHBondContact O-N 2.91Å; N42-A44 VanDerWaalsContact O-N 3.11Å
43K53.4Low57.2Low182 Ų182140.1 Ų140.179%0.79168%0.68SS**  trans-82.290.1-179.9-171.1178.9-177.5-178.30108.9R41 L45R41-K43 PolarHBondContact O-N 2.78Å; K43-L45 PolarHBondContact O-N 3.39Å; K43-L45 VanDerWaalsContact O-N 3.08Å
44A59.9Low58.4Low92 Ų92141 Ų14176%0.7668%0.681SS**  trans-57.8113.2168.700000108.9N42 Q46N42-A44 PolarHBondContact O-N 2.91Å; N42-A44 VanDerWaalsContact O-N 3.11Å; A44-Q46 PolarHBondContact O-N 2.9Å; A44-Q46 VanDerWaalsContact O-N 3.11Å
45L62.2Low59.6Low143 Ų143137 Ų13775%0.74966%0.659SS**  trans-71.8101.9169.3-86.1158.7000107.3K43 V47K43-L45 PolarHBondContact O-N 3.39Å; K43-L45 VanDerWaalsContact O-N 3.08Å; L45-V47 PolarHBondContact O-N 2.94Å
46Q60.4Low60.9Low184 Ų184136.6 Ų136.686%0.8665%0.653SS**  trans-73.472.3172.6-170.1175.754.400108.8A44 R48A44-Q46 PolarHBondContact O-N 2.9Å; A44-Q46 VanDerWaalsContact O-N 3.11Å; Q46-R48 PolarHBondContact O-N 2.93Å
47V61.7Low61.9Low91 Ų91130.5 Ų130.555%0.55264%0.635SS**  trans-57.3121.1172.3-78.10000108.8L45 I52L45-V47 PolarHBondContact O-N 2.94Å; V47-I52 HydrophobicContact CB-CG1 4.38Å; V47-I52 HydrophobicContact CG2-CD1 4.28Å; V47-I52 HydrophobicContact CG2-CG1 4.48Å
48R69.9Low62.8Low163 Ų163128.1 Ų128.162%0.61562%0.623SS**  trans-81.1154.4174.7-57.2169.7-58.5165.110.9107.6Q46 K50 D51 I52Q46-R48 PolarHBondContact O-N 2.93Å; R48-K50 PolarHBondContact O-N 3.35Å; R48-D51 IonicContact CZ-OD1 3.48Å; R48-D51 PolarHBondContact N-OD2 3.11Å; R48-D51 IonicContact NE-OD1 3.26Å; R48-D51 PolarHBondContact NE-OD1 3.44Å; R48-D51 IonicContact NE-OD2 3.57Å; R48-D51 IonicContact NH2-OD1 2.83Å; R48-D51 PolarHBondContact NH2-OD1 3.35Å; R48-D51 WeakPolarHBondContact O-CB 3.34Å; R48-D51 PolarHBondContact O-N 3.33Å; R48-I52 PolarHBondContact O-N 3.48Å
49F60.7Low63.6Low175 Ų175130.3 Ų130.377%0.76863%0.632SS**Hα-helixtrans-54.9-30.1178.6-95.5-89.8000113.6I52 C53F49-I52 PolarHBondContact O-N 3.13Å; F49-C53 PolarHBondContact O-N 3.48Å; F49-C53 VanDerWaalsContact O-N 3.14Å; F49-C53 PolarHBondContact O-SG 2.88Å; F49-C53 VanDerWaalsContact O-SG 3.34Å
50K72.2Confident63.7Low146 Ų146128.3 Ų128.364%0.63562%0.619SS**Hα-helixtrans-55.5-53.4172.1178.466.269.1170.50111.4R48 I52 C53 E54R48-K50 PolarHBondContact O-N 3.35Å; K50-I52 PolarHBondContact O-N 3.31Å; K50-C53 PolarHBondContact O-N 2.63Å; K50-C53 VanDerWaalsContact O-N 3.15Å; K50-E54 WeakPolarHBondContact O-CB 3.43Å; K50-E54 PolarHBondContact O-N 2.85Å
51D70.8Confident63.6Low48 Ų48122.9 Ų122.926%0.25760%0.599SS.*Hα-helixtrans-62-31.3-175.3-34.2-24.9000111.5R48 A55R48-D51 IonicContact CZ-OD1 3.48Å; R48-D51 PolarHBondContact N-OD2 3.11Å; R48-D51 IonicContact NE-OD1 3.26Å; R48-D51 PolarHBondContact NE-OD1 3.44Å; R48-D51 IonicContact NE-OD2 3.57Å; R48-D51 IonicContact NH2-OD1 2.83Å; R48-D51 PolarHBondContact NH2-OD1 3.35Å; R48-D51 WeakPolarHBondContact O-CB 3.34Å; R48-D51 PolarHBondContact O-N 3.33Å; D51-A55 PolarHBondContact O-N 2.98Å
52I69.8Low64.2Low70 Ų70118.3 Ų118.336%0.35959%0.593SS.*Hα-helixtrans-73.1-45.8175.7-59.1174.3000111.3V47 R48 F49 K50 E54 Q56V47-I52 HydrophobicContact CB-CG1 4.38Å; V47-I52 HydrophobicContact CG2-CD1 4.28Å; V47-I52 HydrophobicContact CG2-CG1 4.48Å; R48-I52 PolarHBondContact O-N 3.48Å; F49-I52 PolarHBondContact O-N 3.13Å; K50-I52 PolarHBondContact O-N 3.31Å; I52-E54 VanDerWaalsContact C-N 3.3Å; I52-E54 PolarHBondContact O-N 2.95Å; I52-Q56 WeakPolarHBondContact O-CG 3.46Å; I52-Q56 PolarHBondContact O-N 3.03Å; I52-Q56 VanDerWaalsContact O-N 3.11Å
53C68.6Low64.4Low74 Ų74117.6 Ų117.650%0.558%0.584SS.*Hα-helixtrans-65.4-34.9177.5-66.40000112.2F49 K50 Q56 N57F49-C53 PolarHBondContact O-N 3.48Å; F49-C53 VanDerWaalsContact O-N 3.14Å; F49-C53 PolarHBondContact O-SG 2.88Å; F49-C53 VanDerWaalsContact O-SG 3.34Å; K50-C53 PolarHBondContact O-N 2.63Å; K50-C53 VanDerWaalsContact O-N 3.15Å; C53-Q56 PolarHBondContact O-N 2.91Å; C53-N57 WeakPolarHBondContact O-CB 3.18Å; C53-N57 PolarHBondContact O-N 3.04Å
54E71.5Confident64.4Low112 Ų112115.1 Ų115.152%0.52358%0.579SS.*Hα-helixtrans-65-51.2177.8-166156-140.500110.9K50 I52 Q56 N57 E58K50-E54 WeakPolarHBondContact O-CB 3.43Å; K50-E54 PolarHBondContact O-N 2.85Å; I52-E54 VanDerWaalsContact C-N 3.3Å; I52-E54 PolarHBondContact O-N 2.95Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.04Å; E54-N57 WeakPolarHBondContact O-CA 3.28Å; E54-N57 WeakPolarHBondContact O-CB 3.45Å; E54-N57 PolarHBondContact O-N 3.39Å; E54-E58 PolarHBondContact O-N 3.28Å
55A73Confident63.9Low49 Ų49115.9 Ų115.941%0.40558%0.579SS.*Hα-helixtrans-61.6-33.9175.300000113.6D51 N57 Q59D51-A55 PolarHBondContact O-N 2.98Å; A55-N57 VanDerWaalsContact C-N 3.33Å; A55-Q59 PolarHBondContact O-N 3.04Å
56Q70.4Confident63.3Low126 Ų126113.5 Ų113.559%0.58957%0.574SS**Hα-helixtrans-71.3-27.4172.5-75.4-174.3-7.900112.9I52 C53 E54 R60I52-Q56 WeakPolarHBondContact O-CG 3.46Å; I52-Q56 PolarHBondContact O-N 3.03Å; I52-Q56 VanDerWaalsContact O-N 3.11Å; C53-Q56 PolarHBondContact O-N 2.91Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.04Å; Q56-R60 PolarHBondContact O-N 3.22Å
57N67.1Low62.7Low63 Ų63107.8 Ų107.834%0.33757%0.565SS.*Hα-helixtrans-75.9-47.1175.1-159.873.1000111.3C53 E54 A55 Q59 R60 D61C53-N57 WeakPolarHBondContact O-CB 3.18Å; C53-N57 PolarHBondContact O-N 3.04Å; E54-N57 WeakPolarHBondContact O-CA 3.28Å; E54-N57 WeakPolarHBondContact O-CB 3.45Å; E54-N57 PolarHBondContact O-N 3.39Å; A55-N57 VanDerWaalsContact C-N 3.33Å; N57-Q59 PolarHBondContact O-N 3.04Å; N57-R60 PolarHBondContact O-N 3.05Å; N57-R60 PolarHBondContact OD1-NH2 3.16Å; N57-D61 PolarHBondContact ND2-OD2 2.93Å; N57-D61 PolarHBondContact O-N 2.93Å
58E69.8Low62Low128 Ų128112.3 Ų112.360%0.59858%0.58SS**Hα-helixtrans-54.2-38.6175.1-69-176.1136.300112.6E54 D61 T62E54-E58 PolarHBondContact O-N 3.28Å; E58-D61 PolarHBondContact O-N 3.13Å; E58-T62 VanDerWaalsContact O-CB 3.3Å; E58-T62 WeakPolarHBondContact O-CB 3.36Å; E58-T62 PolarHBondContact O-N 2.62Å; E58-T62 PolarHBondContact O-OG1 2.86Å
59Q61.5Low60.3Low145 Ų145113 Ų11368%0.67860%0.595SS**Hα-helixtrans-66.2-35.3174.8-77.8-160.8-12.600113.7A55 N57 Q63A55-Q59 PolarHBondContact O-N 3.04Å; N57-Q59 PolarHBondContact O-N 3.04Å; Q59-Q63 WeakPolarHBondContact O-CG 3.11Å; Q59-Q63 PolarHBondContact O-N 3.14Å
60R60.2Low59.2Low155 Ų155108.1 Ų108.159%0.58559%0.594SS**Hα-helixtrans-73.3-41.7175.3-68.2-172.1-54.9160.68.3111.4Q56 N57 T62 Q63 L64Q56-R60 PolarHBondContact O-N 3.22Å; N57-R60 PolarHBondContact O-N 3.05Å; N57-R60 PolarHBondContact OD1-NH2 3.16Å; R60-T62 VanDerWaalsContact C-N 3.3Å; R60-T62 PolarHBondContact O-N 2.98Å; R60-Q63 WeakPolarHBondContact O-CB 3.44Å; R60-Q63 PolarHBondContact O-N 3.19Å; R60-Q63 VanDerWaalsContact O-N 3.17Å; R60-L64 WeakPolarHBondContact O-CG 3.42Å; R60-L64 PolarHBondContact O-N 3.33Å
61D56.1Low57.8Low81 Ų81108.5 Ų108.543%0.43360%0.598SS.*Hα-helixtrans-67.4-34.3179.2-64.3-16.7000111.2N57 E58 L64 S65N57-D61 PolarHBondContact ND2-OD2 2.93Å; N57-D61 PolarHBondContact O-N 2.93Å; E58-D61 PolarHBondContact O-N 3.13Å; D61-L64 PolarHBondContact O-N 3.2Å; D61-S65 VanDerWaalsContact O-CB 3.23Å; D61-S65 WeakPolarHBondContact O-CB 3.23Å; D61-S65 PolarHBondContact O-N 3.31Å
62T60Low56.8Low101 Ų101114 Ų11462%0.6262%0.62SS**Hα-helixtrans-64.3-40.3171.2-57.60000112.3E58 R60 S66E58-T62 VanDerWaalsContact O-CB 3.3Å; E58-T62 WeakPolarHBondContact O-CB 3.36Å; E58-T62 PolarHBondContact O-N 2.62Å; E58-T62 PolarHBondContact O-OG1 2.86Å; R60-T62 VanDerWaalsContact C-N 3.3Å; R60-T62 PolarHBondContact O-N 2.98Å; T62-S66 PolarHBondContact O-N 3.48Å
63Q54Low55.4Low141 Ų141122.6 Ų122.666%0.65965%0.648SS**Hα-helixtrans-64.5-47.8174.3-69.7-87.29.700110.9Q59 R60 S65 S66Q59-Q63 WeakPolarHBondContact O-CG 3.11Å; Q59-Q63 PolarHBondContact O-N 3.14Å; R60-Q63 WeakPolarHBondContact O-CB 3.44Å; R60-Q63 PolarHBondContact O-N 3.19Å; R60-Q63 VanDerWaalsContact O-N 3.17Å; Q63-S65 PolarHBondContact O-N 3.05Å; Q63-S66 WeakPolarHBondContact O-CB 3.42Å; Q63-S66 PolarHBondContact O-N 3.01Å; Q63-S66 PolarHBondContact O-OG 3.46Å
64L51.7Low54.3Low130 Ų130127.8 Ų127.868%0.68166%0.664SS**Hα-helixtrans-65.2-39.2-179.6-68169.6000112.3R60 D61 S66 G67R60-L64 WeakPolarHBondContact O-CG 3.42Å; R60-L64 PolarHBondContact O-N 3.33Å; D61-L64 PolarHBondContact O-N 3.2Å; L64-S66 PolarHBondContact O-N 3Å; L64-G67 PolarHBondContact O-N 2.93Å
65S49.4Very low52.8Low109 Ų109127 Ų12776%0.76268%0.677SS**Hα-helixtrans-65.8-15.5175.9-172.90000113.8D61 Q63 G67D61-S65 VanDerWaalsContact O-CB 3.23Å; D61-S65 WeakPolarHBondContact O-CB 3.23Å; D61-S65 PolarHBondContact O-N 3.31Å; Q63-S65 PolarHBondContact O-N 3.05Å; S65-G67 VanDerWaalsContact C-N 3.32Å
66S50.8Low51.4Low93 Ų93133.2 Ų133.265%0.6570%0.695SS**THydrogen-bonded Turntrans-81.7-10.7173.2780000113.6T62 Q63 L64T62-S66 PolarHBondContact O-N 3.48Å; Q63-S66 WeakPolarHBondContact O-CB 3.42Å; Q63-S66 PolarHBondContact O-N 3.01Å; Q63-S66 PolarHBondContact O-OG 3.46Å; L64-S66 PolarHBondContact O-N 3Å
67G47.1Very low50Low64 Ų64133.4 Ų133.466%0.6671%0.707SS**SBendtrans-97.321.3-163.200000117.5L64 S65L64-G67 PolarHBondContact O-N 2.93Å; S65-G67 VanDerWaalsContact C-N 3.32Å
68Q47Very low48.6Very low185 Ų185136.9 Ų136.986%0.86473%0.73SS**  trans-14972.3-175.5-153.7175.848.800117
69L35.1Very low47.4Very low179 Ų179135.9 Ų135.994%0.93774%0.738SS**  trans-159.9133146.6-16663.4000113.9
70G37.2Very low46.1Very low72 Ų72134.8 Ų134.874%0.74275%0.745SS**  trans88.7127.614400000118.7
71E43.2Very low45.3Very low154 Ų154138.8 Ų138.872%0.7276%0.76SS**  trans-69157.6166.5-86.2-158.39200113.8
72K48.5Very low44.5Very low163 Ų163139.4 Ų139.471%0.70978%0.776SS**  trans55.1105150.3-68.1162.6179.2129.70117.7
73R42.1Very low43.7Very low251 Ų251138.6 Ų138.695%0.94778%0.78SS**  -164155.3103.2-106.3174.7-169.5-154.62.7113.8
74E45.2Very low43.1Very low183 Ų183141.4 Ų141.486%0.85579%0.786SS**  trans-72.1132.8174.6-178.4-168.1162.600111.5
75A39Very low43Very low96 Ų96145.6 Ų145.679%0.79379%0.793SS**  trans-149.6142.7166.500000110.8
76K43.9Very low43.1Very low178 Ų178148.2 Ų148.277%0.77479%0.79SS**  trans-74.1149.2-172.3-67.8168.8-178.9171.50112.3V78K76-V78 PolarHBondContact O-N 2.91Å; K76-V78 VanDerWaalsContact O-N 3.16Å
77P41.3Very low43Very low130 Ų130153.2 Ų153.284%0.84480%0.796SS**  trans-67.8113.1176.627.9-34.4000111.1S79P77-S79 PolarHBondContact O-N 3.49Å
78V38.2Very low42.7Very low136 Ų136158.3 Ų158.382%0.82481%0.805SS**  trans-79116.2169.5177.70000108.5K76 C80K76-V78 PolarHBondContact O-N 2.91Å; K76-V78 VanDerWaalsContact O-N 3.16Å; V78-C80 PolarHBondContact O-N 3.38Å
79S45Very low43.2Very low108 Ų108155.3 Ų155.376%0.75580%0.799SS**  trans-6796178.4590000111.1P77 R81P77-S79 PolarHBondContact O-N 3.49Å; S79-R81 PolarHBondContact O-N 3.31Å
80C32.3Very low43.9Very low122 Ų122152 Ų15282%0.82479%0.786SS**  trans-65109.1174.6-172.10000109.9V78 A82V78-C80 PolarHBondContact O-N 3.38Å; C80-A82 PolarHBondContact O-N 2.93Å
81R44.6Very low44.2Very low238 Ų238154.2 Ų154.290%0.89879%0.788SS**  trans-63.4101.1171-96-174.6166.2-170.8-2.2109S79 A83S79-R81 PolarHBondContact O-N 3.31Å; R81-A83 PolarHBondContact O-N 3.38Å
82A38.8Very low44.4Very low95 Ų95150.8 Ų150.879%0.78579%0.786SS**  trans-57.3108.4169.400000109.6C80 Y84C80-A82 PolarHBondContact O-N 2.93Å; A82-Y84 PolarHBondContact O-N 3.47Å
83A42.8Very low44.4Very low84 Ų84154.6 Ų154.669%0.69480%0.796SS**  trans-68108.8-176.200000110.2R81 R85R81-A83 PolarHBondContact O-N 3.38Å; A83-R85 PolarHBondContact O-N 3.07Å
84Y42.8Very low44.8Very low200 Ų200153.6 Ų153.678%0.78479%0.792SS**  trans-60.492.4-176.7-177.1-107.8000111.7A82 K86A82-Y84 PolarHBondContact O-N 3.47Å; Y84-K86 HydrophobicContact CD1-CD 4.39Å; Y84-K86 HydrophobicContact CD1-CG 3.57Å; Y84-K86 HydrophobicContact CE1-CD 4.26Å; Y84-K86 HydrophobicContact CE1-CG 3.48Å; Y84-K86 VanDerWaalsContact CE1-CG 3.48Å; Y84-K86 PolarHBondContact O-N 3.06Å
85R49.8Very low45.2Very low217 Ų217149.8 Ų149.882%0.81979%0.786SS**  trans-70.488.8179.9-74.7-70-170.4-174.71.2110.5A83 Y87A83-R85 PolarHBondContact O-N 3.07Å; R85-Y87 PolarHBondContact O-N 3.39Å
86K51.2Low45.7Very low164 Ų164151.2 Ų151.271%0.71378%0.779SS**  trans-65.172.9171.2-71.2-175.1175.7-179.10112.9Y84Y84-K86 HydrophobicContact CD1-CD 4.39Å; Y84-K86 HydrophobicContact CD1-CG 3.57Å; Y84-K86 HydrophobicContact CE1-CD 4.26Å; Y84-K86 HydrophobicContact CE1-CG 3.48Å; Y84-K86 VanDerWaalsContact CE1-CG 3.48Å; Y84-K86 PolarHBondContact O-N 3.06Å
87Y47.8Very low46Very low198 Ų198147.2 Ų147.278%0.77677%0.771SS**  trans-140.260.2162.1-70.9-63.9000111.2R85 T89R85-Y87 PolarHBondContact O-N 3.39Å; Y87-T89 PolarHBondContact O-N 3.02Å
88M41.6Very low46.1Very low171 Ų171145.8 Ų145.884%0.84276%0.756SS**  trans-73.567.5163.5-79.4-80.697.400110.4V90M88-V90 PolarHBondContact O-N 3.03Å
89T56.6Low46.6Very low122 Ų122144.2 Ų144.275%0.74875%0.747SS**  trans-7779.4165.5-51.10000107.8Y87Y87-T89 PolarHBondContact O-N 3.02Å
90V50.8Low46.9Very low109 Ų109145.4 Ų145.466%0.66175%0.749SS**  trans-50.3128.3175.6-177.40000108.7M88 A92M88-V90 PolarHBondContact O-N 3.03Å; V90-A92 PolarHBondContact O-N 3.38Å
91P43.8Very low48.1Very low119 Ų119147.2 Ų147.277%0.77374%0.743SS**  trans-59.3101.9169.4-22.934.3000108.6R93P91-R93 PolarHBondContact O-N 3.37Å
92A46.9Very low48.5Very low82 Ų82140.6 Ų140.668%0.67873%0.733SS**  trans-54.3128.8-178.300000109.1V90 R94V90-A92 PolarHBondContact O-N 3.38Å; A92-R94 PolarHBondContact O-N 3.4Å
93R47.8Very low49.2Very low244 Ų244141.9 Ų141.992%0.92173%0.731SS**  trans-49.7101.6-176.5-73.1179.1174.5-109.8-2.6109.7P91 S95P91-R93 PolarHBondContact O-N 3.37Å; R93-S95 PolarHBondContact O-N 2.97Å
94R51.1Low49.3Very low230 Ų230141 Ų14187%0.86873%0.731SS**  trans-76.580.1175.6-66.4-169.2-176.6-145.51.7108.2A92 I96A92-R94 PolarHBondContact O-N 3.4Å; R94-I96 WeakPolarHBondContact O-CG1 3.41Å; R94-I96 PolarHBondContact O-N 3.05Å
95S52.5Low49.5Very low103 Ų103137.3 Ų137.372%0.7273%0.729SS**  trans-53.2107.2161.450.60000107.6R93 P97R93-S95 PolarHBondContact O-N 2.97Å; S95-P97 WeakPolarHBondContact O-CD 3.37Å; S95-P97 WeakPolarHBondContact O-CG 3.41Å; S95-P97 VanDerWaalsContact O-N 3.14Å
96I49.9Very low49.5Very low126 Ų126136.3 Ų136.365%0.64673%0.734SS**  trans-71.8106.2-169.1-52.7178.3000108.1R94 N98 V99R94-I96 WeakPolarHBondContact O-CG1 3.41Å; R94-I96 PolarHBondContact O-N 3.05Å; I96-N98 PolarHBondContact O-N 3.07Å; I96-V99 HydrophobicContact CB-CG2 4.39Å; I96-V99 HydrophobicContact CG2-CG2 3.64Å
97P49.6Very low49.4Very low94 Ų94133.6 Ų133.661%0.6173%0.731SS**THydrogen-bonded Turntrans-75-4.3-159.3-1933.3000115.8S95S95-P97 WeakPolarHBondContact O-CD 3.37Å; S95-P97 WeakPolarHBondContact O-CG 3.41Å; S95-P97 VanDerWaalsContact O-N 3.14Å
98N44.7Very low49.3Very low99 Ų99126.8 Ų126.853%0.52971%0.712SS.*THydrogen-bonded Turntrans-132.9-6.8-161.2-69-35.6000115.5I96 T100 K101I96-N98 PolarHBondContact O-N 3.07Å; N98-T100 PolarHBondContact O-N 3.12Å; N98-K101 PolarHBondContact O-N 3.43Å
99V47.4Very low50Low104 Ų104124.2 Ų124.263%0.6371%0.708SS**THydrogen-bonded Turntrans-67.8-24.1178.7169.50000111.9I96 K101I96-V99 HydrophobicContact CB-CG2 4.39Å; I96-V99 HydrophobicContact CG2-CG2 3.64Å; V99-K101 VanDerWaalsContact C-N 3.26Å; V99-K101 PolarHBondContact O-N 3.12Å
100T51.3Low49.8Very low132 Ų132122.2 Ų122.281%0.8169%0.693SS**THydrogen-bonded Turntrans-81.911.1175.649.50000114.7N98N98-T100 PolarHBondContact O-N 3.12Å
101K59.3Low49.9Very low161 Ų161121.9 Ų121.970%0.769%0.687SS**THydrogen-bonded Turntrans-124.8-17.9-173.3-68.5-178.1-178.6167.80116.5N98 V99N98-K101 PolarHBondContact O-N 3.43Å; V99-K101 VanDerWaalsContact C-N 3.26Å; V99-K101 PolarHBondContact O-N 3.12Å
102S51.5Low50.7Low98 Ų98123.8 Ų123.869%0.68568%0.683SS**SBendtrans-107.7-6.6-167.356.70000115.7
103T53.9Low51.2Low122 Ų122128.5 Ų128.575%0.74869%0.688SS**  trans-134.745.2-178.1-35.10000111.2V105T103-V105 PolarHBondContact O-N 3.17Å
104G44.7Very low51.3Low67 Ų67121.2 Ų121.269%0.69167%0.673SS**  trans-73116.4165.600000109.3Q106G104-Q106 PolarHBondContact O-N 2.94Å
105V47.5Very low51.2Low121 Ų121117.1 Ų117.173%0.73366%0.659SS**  trans-60.8120.4166.9175.20000107.2T103 T107T103-V105 PolarHBondContact O-N 3.17Å; V105-T107 HydrophobicContact CG1-CG2 3.93Å; V105-T107 PolarHBondContact O-N 2.86Å
106Q49.7Very low51Low197 Ų197120.8 Ų120.892%0.92167%0.665SS**THydrogen-bonded Turntrans-85.855.2-159.5-164.4178.6-1800112.5G104G104-Q106 PolarHBondContact O-N 2.94Å
107T49.7Very low51Low107 Ų107120 Ų12066%0.65667%0.666SS**THydrogen-bonded Turntrans-112.7-13.8-171.349.50000115.4V105V105-T107 HydrophobicContact CG1-CG2 3.93Å; V105-T107 PolarHBondContact O-N 2.86Å
108S45.6Very low50.5Low55 Ų55123.8 Ų123.839%0.38567%0.673SS.*SBendtrans-129.3144-174.8-51.90000112.5D423S108-D423 WeakPolarHBondContact CB-OD2 3.43Å; S108-D423 PolarHBondContact OG-OD2 3.4Å
109P55.4Low50.4Low117 Ų117125.2 Ų125.276%0.7669%0.688SS**  trans-66165.4-178.4-22.834.9000115.5L111P109-L111 PolarHBondContact O-N 3.29Å
110D51.7Low50.5Low80 Ų80128.9 Ų128.943%0.42870%0.703SS.*  trans-55.5102.8-177.1-173.85.4000113.1K112 K113D110-K112 PolarHBondContact O-N 2.71Å; D110-K112 VanDerWaalsContact OD1-CG 3.28Å; D110-K112 WeakPolarHBondContact OD1-CG 3.42Å; D110-K112 PolarHBondContact OD1-N 2.72Å; D110-K112 IonicContact OD1-NZ 2.86Å; D110-K112 PolarHBondContact OD1-NZ 3.27Å; D110-K112 IonicContact OD2-NZ 2.63Å; D110-K112 PolarHBondContact OD2-NZ 3.33Å; D110-K113 PolarHBondContact O-N 2.74Å
111L54.8Low50.3Low102 Ų102127.7 Ų127.753%0.53469%0.691SS.*G310 helixtrans-52.6-21-177.3-68.9171.5000114.4P109 K113 C114P109-L111 PolarHBondContact O-N 3.29Å; L111-K113 PolarHBondContact O-N 3.24Å; L111-K113 VanDerWaalsContact O-N 3.16Å; L111-C114 PolarHBondContact O-N 2.91Å
112K59.5Low50.1Low159 Ų159131.6 Ų131.669%0.69170%0.702SS**G310 helixtrans-56.9-26.9174.6-65.5177.3-148.3119.40113.5D110D110-K112 PolarHBondContact O-N 2.71Å; D110-K112 VanDerWaalsContact OD1-CG 3.28Å; D110-K112 WeakPolarHBondContact OD1-CG 3.42Å; D110-K112 PolarHBondContact OD1-N 2.72Å; D110-K112 IonicContact OD1-NZ 2.86Å; D110-K112 PolarHBondContact OD1-NZ 3.27Å; D110-K112 IonicContact OD2-NZ 2.63Å; D110-K112 PolarHBondContact OD2-NZ 3.33Å
113K57.7Low50Low181 Ų181135.2 Ų135.279%0.78771%0.705SS**G310 helixtrans-82.4-19.9-177.5-64.9-172178.7-176.80113.8D110 L111D110-K113 PolarHBondContact O-N 2.74Å; L111-K113 PolarHBondContact O-N 3.24Å; L111-K113 VanDerWaalsContact O-N 3.16Å
114C50.3Low49.6Very low90 Ų90138.9 Ų138.961%0.60871%0.711SS**THydrogen-bonded Turntrans-93.4-11.6-173.2-59.70000114.3L111L111-C114 PolarHBondContact O-N 2.91Å
115Y47.4Very low49.4Very low144 Ų144139.2 Ų139.257%0.56571%0.714SS**  trans-134.655.8-171.4-65.3-74.2000113.7T117Y115-T117 VanDerWaalsContact C-N 3.29Å; Y115-T117 PolarHBondContact O-N 2.81Å
116Q49.6Very low48.8Very low181 Ų181140.8 Ų140.885%0.84672%0.719SS**  trans-90.434.6176.1-160.3167.5-9.800113.5
117T48.7Very low48.6Very low108 Ų108138.8 Ų138.866%0.66371%0.713SS**  trans-134.733.3-169.546.80000115.5Y115Y115-T117 VanDerWaalsContact C-N 3.29Å; Y115-T117 PolarHBondContact O-N 2.81Å
118F40.1Very low48.1Very low175 Ų175143 Ų14377%0.76872%0.722SS**  trans-128.6105166.3-72.8-69.2000112.4L120F118-L120 PolarHBondContact O-N 3.15Å; F118-L120 VanDerWaalsContact O-N 3.14Å
119P43.5Very low47.4Very low128 Ų128145.8 Ų145.883%0.83174%0.742SS**  trans-67.5107.5177.2-22.334.6000112.9D121P119-D121 PolarHBondContact O-N 3.37Å
120L48.4Very low46.5Very low182 Ų182148.4 Ų148.495%0.95375%0.749SS**  trans-79.549171.1-83.1168.3000112.6F118F118-L120 PolarHBondContact O-N 3.15Å; F118-L120 VanDerWaalsContact O-N 3.14Å
121D47.6Very low45.9Very low106 Ų106150.7 Ų150.757%0.56777%0.768SS**  trans-101.283.1170.8-166.510.1000112.3P119 K123P119-D121 PolarHBondContact O-N 3.37Å; D121-K123 WeakPolarHBondContact OD1-CA 3.23Å; D121-K123 WeakPolarHBondContact OD1-CG 3.13Å; D121-K123 PolarHBondContact OD1-N 3.48Å; D121-K123 WeakPolarHBondContact OD2-CE 3.22Å
122R55.5Low44.8Very low243 Ų243151 Ų15192%0.91779%0.785SS**  trans-97.583.1154.5-71.1-173.668.3121-0.2108.3K124R122-K124 PolarHBondContact O-N 2.89Å
123K47.7Very low43.5Very low174 Ų174148.1 Ų148.176%0.75779%0.791SS**  trans-42.5108.1179.5-77.3-167.7174.9170.10112.1D121 G125D121-K123 WeakPolarHBondContact OD1-CA 3.23Å; D121-K123 WeakPolarHBondContact OD1-CG 3.13Å; D121-K123 PolarHBondContact OD1-N 3.48Å; D121-K123 WeakPolarHBondContact OD2-CE 3.22Å; K123-G125 PolarHBondContact O-N 3.22Å; K123-G125 VanDerWaalsContact O-N 3.17Å
124K46.8Very low42.2Very low199 Ų199146.9 Ų146.987%0.86579%0.793SS**  trans-67.3109.3172.3-178.7179.8179.1-178.80108.2R122 N126R122-K124 PolarHBondContact O-N 2.89Å; K124-N126 PolarHBondContact O-N 2.92Å; K124-N126 VanDerWaalsContact O-N 3.12Å
125G40.8Very low41.7Very low74 Ų74147.2 Ų147.276%0.76380%0.796SS**  trans-54.7116.7-179.900000111.5K123K123-G125 PolarHBondContact O-N 3.22Å; K123-G125 VanDerWaalsContact O-N 3.17Å
126N33.7Very low40.8Very low155 Ų155149.8 Ų149.883%0.82981%0.811SS**  trans-97.2109.6180-171.310.7000110K124K124-N126 PolarHBondContact O-N 2.92Å; K124-N126 VanDerWaalsContact O-N 3.12Å
127L46.3Very low40.1Very low155 Ų155150.1 Ų150.181%0.81281%0.81SS**  trans-85.4107.4175.1-72.7167.4000110.3
128K38.1Very low39.2Very low194 Ų194149.2 Ų149.284%0.84381%0.808SS**  trans-178.4160.9142.6-99.8147.3-166.3179.60114.4
129S31.7Very low39Very low115 Ų115149.4 Ų149.480%0.80481%0.811SS**  trans56.3102.7165.453.90000118.9
130L35.8Very low38.4Very low172 Ų172150.1 Ų150.190%0.90181%0.808SS**  trans-89.9141.1146.7-64.4168.8000109
131P39.5Very low37.7Very low127 Ų127148.6 Ų148.683%0.82580%0.8SS**  trans-83.5163.6153.135.1-31.1000110.6
132A31.3Very low37Very low109 Ų109146.8 Ų146.890%0.90181%0.807SS**  trans-105127.2-17000000114.5
133A33.8Very low35.8Very low98 Ų98144.3 Ų144.381%0.8180%0.804SS**  trans-174.2147.4154.300000106.6
134D29.2Very low34.9Very low156 Ų156142.5 Ų142.583%0.83480%0.801SS**  cis-143.2172.7-2.4-151.3-22.9000109.7
135S39.7Very low34.3Very low96 Ų96140.3 Ų140.367%0.67180%0.796SS**  trans-95.5142.5-179-59.80000112.8
136F29.8Very low33.8Very low199 Ų199142.8 Ų142.887%0.87379%0.792SS**  trans-173.2160.9134.4-101.6-62.4000114.1
137K34.3Very low33.8Very low188 Ų188138.6 Ų138.682%0.81778%0.779SS**  trans-32.9156.9176.2-65.9168.4175.2177.60116.3
138S30.5Very low33.1Very low89 Ų89139.8 Ų139.862%0.62278%0.777SS**  -171.7158.150.1-165.50000114
139Q34.6Very low32.9Very low178 Ų178136 Ų13683%0.83276%0.763SS**  trans43.1119.8156.7-70.7154.2-31.900119.3
140N31.3Very low33Very low144 Ų144138 Ų13877%0.7776%0.757SS**  cis88.514532.7-158.222.7000115.8
141N33.6Very low32.7Very low149 Ų149136.3 Ų136.380%0.79775%0.749SS**  trans74.4129.2-167.7-45.7-30.7000112.6
142G33.9Very low32.4Very low69 Ų69138.1 Ų138.171%0.71175%0.746SS**  cis106.6134.217.400000109.4
143F29.3Very low32.4Very low191 Ų191137 Ų13784%0.83874%0.737SS**  cis-139.5147.815.1-96.4-117.8000108
144L29.9Very low32.1Very low135 Ų135135.6 Ų135.671%0.70773%0.732SS**  86.4110.559.9-170.776.4000115.1
145M33.2Very low32.8Very low153 Ų153134 Ų13475%0.75473%0.73SS**  trans63.6160.5154.9-63.6-88.484.900119.3
146D29.8Very low32.3Very low127 Ų127136.8 Ų136.868%0.67973%0.734SS**  cis-168.3176.1-33.2-164.3-120.4000110.2
147A34.6Very low32.3Very low67 Ų67135.4 Ų135.455%0.55473%0.73SS**  trans74.7138.8148.100000122.2
148K32Very low32.3Very low180 Ų180130.7 Ų130.778%0.78373%0.727SS**  trans67.2148.6144.4-79.8169.2160-800118.7
149E32.5Very low32.5Very low115 Ų115131.4 Ų131.454%0.53774%0.738SS.*  cis-167.7168.4-19-154.7-176.2119.400108.7
150K34.3Very low32.6Very low155 Ų155134.7 Ų134.767%0.67474%0.743SS**  trans65.5112.8151.8-92.1-179.8177.2102.70121.1
151N30.7Very low33.2Very low137 Ų137133 Ų13373%0.73374%0.74SS**  66.9160.6112.6-74.815.2000123.9
152E31.7Very low33Very low166 Ų166132.1 Ų132.178%0.77674%0.744SS**  trans76.1110.1161.9-66.7-59.580.700120.7
153A31.5Very low32.9Very low85 Ų85132.6 Ų132.670%0.70275%0.749SS**  50121123.600000121.5
154G29Very low33.1Very low68 Ų68129 Ų12970%0.70176%0.755SS**  trans-78.5-178.1140.200000111
155P43.6Very low33.2Very low124 Ų124126.3 Ų126.381%0.80576%0.759SS**  -150.5-158.554.141.9-20.9000115.1
156M29.2Very low33.3Very low153 Ų153128.7 Ų128.775%0.75476%0.76SS**  trans75.4114.4160.9-124.1147-179.300116
157E30.1Very low33.5Very low170 Ų170128.5 Ų128.579%0.79476%0.763SS**  58.4137.785.1-83.5-161.6116.800115.3
158A34.1Very low33.5Very low89 Ų89134.5 Ų134.574%0.73677%0.773SS**  cis-160.9144.8-9.400000111
159A33.5Very low33.8Very low105 Ų105134.6 Ų134.687%0.86877%0.773SS**  trans-160146.1163.700000113.5
160R37Very low33.9Very low246 Ų246136.2 Ų136.293%0.92879%0.791SS**  trans-134.2167.5164.4-96.6-166.3-179.1-1574.1106.6
161P44.8Very low34.1Very low108 Ų108134.5 Ų134.570%0.70179%0.794SS**  cis-139.3177.719.543.1-25.3000117.3
162C28.1Very low34Very low131 Ų131132.1 Ų132.189%0.88579%0.793SS**  trans59.2108.9151.5-67.50000121.2
163G31.2Very low34.1Very low80 Ų80131.3 Ų131.383%0.82579%0.793SS**  trans-161.2139.6159.700000110.6
164A34.1Very low34.1Very low116 Ų116132.4 Ų132.496%0.95979%0.791SS**  trans-74.2148.8-169.200000114.5
165G31.4Very low34.2Very low77 Ų77137.6 Ų137.679%0.79480%0.795SS**  trans-17463.2-177.200000118.5
166R36.8Very low33.7Very low203 Ų203139.9 Ų139.977%0.76679%0.794SS**  trans27.9107.1151.6-161.4-178.5-55.6-97.61.3119.1Y168R166-Y168 WeakPolarHBondContact CD-OH 3.34Å; R166-Y168 HydrophobicContact CG-CE2 3.96Å
167V33.7Very low33.7Very low124 Ų124138.4 Ų138.475%0.75280%0.799SS**  trans-70.2134.9167.7177.30000111.5K169V167-K169 HydrophobicContact CG1-CG 4.17Å
168Y35.3Very low33.7Very low192 Ų192136.4 Ų136.475%0.75379%0.793SS**  trans-109.1129.7159.9-74.9-87.3000109.9R166R166-Y168 WeakPolarHBondContact CD-OH 3.34Å; R166-Y168 HydrophobicContact CG-CE2 3.96Å
169K38.2Very low33.7Very low182 Ų182140 Ų14079%0.79180%0.795SS**  trans-103.8131.1174.8-64.7176.9180176.50108.8V167V167-K169 HydrophobicContact CG1-CG 4.17Å
170T34.3Very low33.5Very low149 Ų149141.5 Ų141.591%0.91478%0.784SS**  trans-108.1103.5168.6-49.80000108.2
171T36.9Very low33.2Very low120 Ų120136.6 Ų136.674%0.73677%0.773SS**  trans-90.6140.8-178-51.80000110.3
172A30.4Very low32.7Very low87 Ų87137.9 Ų137.972%0.71977%0.774SS**  trans-70.3138.4173.600000111.4
173L32.6Very low32.8Very low149 Ų149136.8 Ų136.878%0.7877%0.774SS**  trans-86.6114172.1-80.8165.3000110.1F175L173-F175 HydrophobicContact CB-CE2 4.26Å; L173-F175 HydrophobicContact CD1-CE2 4.42Å; L173-F175 HydrophobicContact CD2-CE2 4.37Å
174V32.3Very low33.1Very low107 Ų107137.5 Ų137.565%0.64877%0.773SS**  trans-103121.3163.3179.10000107.1
175F29.9Very low33Very low178 Ų178140 Ų14078%0.78177%0.77SS**  trans-95.3112.2171-81.6-84.5000109.7L173L173-F175 HydrophobicContact CB-CE2 4.26Å; L173-F175 HydrophobicContact CD1-CE2 4.42Å; L173-F175 HydrophobicContact CD2-CE2 4.37Å
176H33.3Very low33.3Very low172 Ų172144.4 Ų144.480%0.79677%0.77SS**  trans-101.2139.6158.1-67.8-78.1000108.3
177S30.6Very low33.6Very low121 Ų121140 Ų14085%0.84677%0.767SS**  trans-138.8120.3169.356.60000108.3
178N29.8Very low33.5Very low128 Ų128142.1 Ų142.168%0.68477%0.774SS**  trans-148.5148.6176.5-173.132.6000109.1
179E33Very low33.3Very low164 Ų164136.3 Ų136.377%0.76677%0.772SS**  trans60.2153.8170.3-74.8147-155.700118.2
180H30.1Very low32.9Very low138 Ų138134.7 Ų134.764%0.63978%0.777SS**  cis-176.4141.7-24.9168.8-130.7000108.5
181M29.9Very low32.9Very low143 Ų143134.5 Ų134.570%0.70477%0.771SS**  trans163.4157.7133.5-84.1-92.241.700113.3
182N34Very low32.5Very low135 Ų135134.1 Ų134.172%0.72277%0.772SS**  trans-99.5149179.9-55.6-78.6000112.2
183A30.1Very low32.6Very low107 Ų107134.2 Ų134.288%0.88477%0.773SS**  trans-160.6155.414300000109.9
184A38.8Very low32.9Very low96 Ų96135.8 Ų135.879%0.79378%0.776SS**  trans-84.3157.5-173.800000113.6
185D32.3Very low32.8Very low168 Ų168135.5 Ų135.590%0.89878%0.779SS**  -154160.8119.6-129.2-32.5000111.5
186Q36.4Very low33.2Very low169 Ų169133.4 Ų133.479%0.7978%0.784SS**  trans-145.8146.1-178-166.8-170.294.500111.1
187P43.6Very low33.1Very low110 Ų110134 Ų13471%0.71479%0.785SS**  trans-139.8158.8131.836.2-23.7000115
188L32.4Very low33.2Very low170 Ų170133.6 Ų133.689%0.8978%0.782SS**  trans6.8136.7152.9-70.268.5000117.2
189G29.8Very low33.7Very low70 Ų70133 Ų13372%0.72279%0.785SS**  cis159.2155.91700000106.5
190V31.2Very low33.6Very low148 Ų148133.8 Ų133.890%0.89779%0.789SS**  -154.613568.9155.50000110.8
191N33.1Very low33.6Very low144 Ų144135.5 Ų135.577%0.7780%0.802SS**  trans-42.7162162.9-69.6-22.4000114.1
192C30Very low33.8Very low113 Ų113136.6 Ų136.676%0.76481%0.81SS**  cis-174.1171.3-1.8-106.10000105.9
193A32.1Very low33.5Very low89 Ų89135.8 Ų135.874%0.73682%0.815SS**  cis-158160.9-13.600000108
194E37.9Very low33.5Very low181 Ų181141.8 Ų141.885%0.84682%0.816SS**  trans-72.2161.1163.2-59.5165.1101.900111.5
195S30.6Very low33Very low102 Ų102140.7 Ų140.771%0.71381%0.814SS**  trans-166.9104.2137.2-86.30000111.7K197S195-K197 PolarHBondContact O-N 2.96Å
196C39.3Very low32.8Very low133 Ų133142.3 Ų142.390%0.89982%0.816SS**  trans-70.5122.7158.3-68.10000109.4
197K29.3Very low32.6Very low185 Ų185139 Ų13980%0.80482%0.818SS**  trans-145.2115.1164.5-69.1-169.9-179.3178.90111.6S195S195-K197 PolarHBondContact O-N 2.96Å
198S33.2Very low31.9Very low113 Ų113138.9 Ų138.979%0.7983%0.826SS**  trans-88.3161.5134.763.20000107.5
199P40.2Very low32Very low116 Ų116138.2 Ų138.275%0.75382%0.822SS**  -139.7-161.973.739.5-21.5000113.7
200E31.1Very low31.9Very low180 Ų180144.1 Ų144.184%0.84183%0.831SS**  trans-63.9148-172.4-54.6150.5108.700115.3
201L31.2Very low31.7Very low173 Ų173144.2 Ų144.291%0.90683%0.827SS**  -159.9161.1118.6-146.966.7000112.2
202L33.3Very low31.4Very low167 Ų167143.1 Ų143.187%0.87483%0.83SS**  trans-80.5148.5179.7-63.9159.5000113
203S27Very low31.2Very low118 Ų118142.5 Ų142.583%0.82583%0.833SS**  trans-153.5141.8145.7-169.20000111.4
204Y30.3Very low31Very low233 Ų233149.3 Ų149.391%0.91484%0.84SS**  trans-74.4162.5166.2-98.9-121.8000110.5
205G29Very low32Very low72 Ų72145.2 Ų145.274%0.74283%0.829SS**  trans-177.337.6-178.900000120
206E27.4Very low32.9Very low202 Ų202145.9 Ų145.994%0.94483%0.831SS**  trans65.1148.7152.4-158155.2-13900120
207A32.4Very low32.3Very low100 Ų100143.8 Ų143.883%0.82682%0.818SS**  trans-133139.417800000110.5
208A30.4Very low32.2Very low107 Ų107143.4 Ų143.488%0.88482%0.819SS**  trans-131.7120.5176.900000111.2
209L33.5Very low32.1Very low156 Ų156145.7 Ų145.782%0.81782%0.817SS**  trans-88.2144.1172.2-71.3164.2000110.6
210Q28.6Very low32.3Very low194 Ų194145 Ų14591%0.90781%0.812SS**  -165.7165.1128.5-110.7160.7101.600113.2
211N26Very low32.3Very low151 Ų151141.3 Ų141.381%0.80780%0.799SS**  trans-127.2165.3-168-90.6-68.6000112.3
212S26.9Very low32.2Very low121 Ų121142.8 Ų142.885%0.84679%0.794SS**  trans87.4111.3149-158.70000120.6
213A26.4Very low32.1Very low100 Ų100142.3 Ų142.383%0.82679%0.787SS**  trans-156.7152.7136.900000109.2
214R27.7Very low32.4Very low231 Ų231144 Ų14487%0.87279%0.786SS**  trans-161.5176.6-173.4-148.4-155.7163168.5-3112.2
215P57.5Low32.3Very low96 Ų96140.8 Ų140.862%0.62378%0.783SS**  -90-127.5-94.141.9-25.8000110
216P50Low32.1Very low116 Ų116140.8 Ų140.875%0.75378%0.784SS**  cis-81.4-160.8-5.842.7-40.6000110.6
217S26.8Very low32.3Very low88 Ų88142.1 Ų142.162%0.61578%0.78SS**  cis-150.7-164.6-5.6-139.10000107.9
218E28.3Very low32.1Very low177 Ų177141.6 Ų141.683%0.82778%0.776SS**  cis-153.8175.84.8-151.9105.6-99.500108.9
219E30.6Very low32.3Very low162 Ų162144.7 Ų144.776%0.75777%0.77SS**  trans-149.2160176.1-165.9174173.400111.2
220P43.5Very low32.3Very low100 Ų100144 Ų14465%0.64976%0.762SS**  -143.9155.8127.737.1-23.1000116.9
221D30.4Very low32.3Very low104 Ų104140.7 Ų140.756%0.55675%0.751SS**  trans-121.3148.5-17816743.4000111.7
222Y30.5Very low32.4Very low204 Ų204143 Ų14380%0.875%0.748SS**  trans-147.7139.2171.8-50.4-68.6000113.4
223Q31.6Very low32.4Very low156 Ų156143.2 Ų143.273%0.72974%0.74SS**  trans-122.8167.2-178.2-56.8171.22200112.1
224L31.4Very low32.6Very low154 Ų154147.7 Ų147.781%0.80674%0.735SS**  trans144.7116.7132.2-79.2147.9000117.3
225L28.1Very low33.4Very low165 Ų165142.4 Ų142.486%0.86473%0.731SS**  56.5134.3120.4-159.372.7000123.4
226G25.8Very low32Very low73 Ų73143.5 Ų143.575%0.75373%0.732SS**  trans-159.2148.6158.700000113
227R31.3Very low31Very low229 Ų229142.8 Ų142.886%0.86473%0.729SS**  trans-160.5131.8-168.7-171.1-131.9-108.2-83.77.5116.5
228A29.1Very low31.2Very low90 Ų90146.2 Ų146.274%0.74474%0.736SS**  trans-162.4150.4157.100000108.8
229K34.6Very low31.4Very low171 Ų171146 Ų14674%0.74374%0.735SS**  cis76.2139.334.9-72.8-157.7170.4-1640114
230Q33.6Very low31.9Very low141 Ų141143.6 Ų143.666%0.65973%0.733SS**  cis-162.3159.613.3-143.3178.4-61.200113.7
231D27.8Very low31.2Very low125 Ų125143 Ų14367%0.66874%0.737SS**  trans49.7162143.5-86.3-38.7000122.5
232R29Very low32Very low199 Ų199143.9 Ų143.975%0.75175%0.748SS**  cis-159.5173.45.8-141.2175.4125.9140.7-0.2114.5
233D25.7Very low33Very low127 Ų127139.6 Ų139.668%0.67975%0.745SS**  trans96140.4141.5-76-41.9000124.7
234R31.9Very low33Very low193 Ų193136.3 Ų136.373%0.72875%0.745SS**  trans-157.4133.5176.3-179.3-151.2110.4-1416.5109.9N236R234-N236 PolarHBondContact NH2-OD1 3.02Å
235P43.8Very low33.1Very low121 Ų121137.3 Ų137.379%0.78675%0.75SS**  trans-142.8179.9138.534.6-18.5000112.6
236N27.4Very low33Very low119 Ų119132.2 Ų132.264%0.63674%0.737SS**  cis-166.3-176.7-46.9-162.847.4000108.2R234R234-N236 PolarHBondContact NH2-OD1 3.02Å
237S28.9Very low33.5Very low100 Ų100139.9 Ų139.970%0.69974%0.744SS**  trans95.6149.8172.7-171.80000116.3
238E31Very low33.5Very low160 Ų160134.8 Ų134.875%0.74874%0.738SS**  cis-171116.9-32.6-160150.1102.400110.8
239E32.8Very low33.6Very low173 Ų173139.5 Ų139.581%0.80874%0.742SS**  trans69.4-172.5138.1-129.1-166.680.700122.7
240P41.1Very low33.5Very low112 Ų112141.1 Ų141.173%0.72775%0.749SS**  -101.7-175.7-99.138.3-32.9000119.6
241A29.3Very low33.5Very low88 Ų88139.8 Ų139.873%0.72775%0.75SS**  trans-94.2-160.5173.900000111.9
242P48.3Very low33.8Very low121 Ų121142.9 Ų142.979%0.78676%0.761SS**  cis-133-119.73.330.2-1.8000117.2
243P51.7Low33.9Very low114 Ų114139.6 Ų139.674%0.7476%0.762SS**  -129.2-173.9-99.939-20.7000118.9
244A29.7Very low34.1Very low88 Ų88137.5 Ų137.573%0.72776%0.763SS**  trans116.7162.1133.600000121.6
245L33.8Very low33.9Very low174 Ų174134.6 Ų134.691%0.91177%0.767SS**  trans74143.3173.3-64.5164.3000118.9
246G27Very low33.6Very low58 Ų58135.3 Ų135.360%0.59877%0.769SS**  cis140.496.7-15.200000116.9
247R35.8Very low33.7Very low235 Ų235140.2 Ų140.289%0.88778%0.78SS**  trans178.7133.4157.3-104.4160.6-112.2-110.52.5108.7
248V31.2Very low33.9Very low122 Ų122139.3 Ų139.374%0.73978%0.778SS**  cis102.19824.6176.40000113.5
249F31.8Very low34.5Very low189 Ų189137.3 Ų137.383%0.82978%0.779SS**  trans23.8141.2158.7-56.1-72.6000123.6
250K32.3Very low34.3Very low205 Ų205133.4 Ų133.489%0.89178%0.777SS**  -150.6151.7111.8-125-173.1179.4-165.50113.1
251T33.9Very low33.8Very low112 Ų112136.1 Ų136.169%0.68778%0.784SS**  trans-122.9145.5-178.9-56.50000109.2
252E33.1Very low33.7Very low191 Ų191137.6 Ų137.689%0.89379%0.789SS**  trans-142.7163.5158-155.3162.1115.200110.3
253V31.4Very low32.8Very low129 Ų129136.3 Ų136.378%0.78279%0.789SS**  trans-113.6158.1-155.8172.90000112.5
254A30.4Very low31.8Very low83 Ų83142.1 Ų142.169%0.68680%0.796SS**  trans-60.4159.4-175.700000115.7
255T28.1Very low31.7Very low133 Ų133141.7 Ų141.782%0.81679%0.792SS**  trans-151.4141.2138.5-1.60000110
256V37.3Very low32Very low136 Ų136139.3 Ų139.382%0.82479%0.787SS**  trans-116.9118.8174.7173.50000108
257Y28.8Very low32.3Very low222 Ų222144.6 Ų144.687%0.87180%0.796SS**  trans-146.4137.2168.4-102-85.7000111.1
258A33Very low32.5Very low81 Ų81139.6 Ų139.667%0.66979%0.794SS**  trans-107.9-178.215800000107.1
259P44.7Very low32.4Very low118 Ų118136.4 Ų136.477%0.76679%0.786SS**  cis-145.3176.48.844.5-25.6000117.6
260A28.7Very low32.2Very low91 Ų91135.5 Ų135.575%0.75279%0.789SS**  trans62.4141.7137.800000125.6
261L30.2Very low32.2Very low169 Ų169130.2 Ų130.289%0.88578%0.778SS**  trans99141135.5-137.275.1000121.7
262S26.8Very low32.1Very low119 Ų119131.5 Ų131.583%0.83278%0.781SS**  trans74.8149.4169.8-1140000117.7
263A28.6Very low32.1Very low94 Ų94128.1 Ų128.178%0.77778%0.778SS**  cis-146.2170.16.200000115.2
264R30.7Very low32.1Very low235 Ų235126.4 Ų126.489%0.88778%0.777SS**  trans-47.8139.2-178.9-84.8-87-171.5162.5-0.8120.1
265A28.5Very low32.1Very low79 Ų79127 Ų12765%0.65378%0.783SS**  63.5166.1121.400000120.5
266P39.6Very low32.2Very low124 Ų124125.4 Ų125.481%0.80578%0.782SS**  cis-134.4169.810.342.9-25.6000119.2
267E34Very low31.9Very low170 Ų170124.4 Ų124.479%0.79478%0.782SS**  trans-74.1155166.1-70.4-77129.400112.2
268P39.8Very low32.2Very low129 Ų129121.8 Ų121.884%0.83878%0.777SS**  -144.8173.280.938.9-22000114.8
269G27.8Very low31.9Very low55 Ų55130 Ų13057%0.56779%0.791SS**  cis152.5163.7-2.400000112.1
270L28.7Very low31.2Very low171 Ų171128.4 Ų128.490%0.89578%0.783SS**  trans85.2123.9-174.6-53.5165.9000114.8
271S31.1Very low31.4Very low93 Ų93132.1 Ų132.165%0.6579%0.789SS**  cis96.6132.139.2-76.90000113.1
272N32.5Very low31.2Very low140 Ų140129.6 Ų129.675%0.74978%0.784SS**  cis-158.5166.75.9-90.5-22.8000112.2
273S32.6Very low31.7Very low119 Ų119130.1 Ų130.183%0.83279%0.785SS**  trans73.9145.3153.4-66.70000120.3
274A32.7Very low31.7Very low94 Ų94130.1 Ų130.178%0.77779%0.785SS**  cis-167.2174.5-12.700000112.7
275A30.5Very low31.8Very low96 Ų96126.2 Ų126.279%0.79378%0.782SS**  trans97.595.1156.900000121.1
276A30.5Very low32.1Very low98 Ų98129.4 Ų129.481%0.8178%0.783SS**  trans60.5151.7135.100000120.7
277S30.8Very low31.6Very low116 Ų116129 Ų12981%0.81177%0.77SS**  cis-137.6163.614.6-72.90000113.7
278Q33.7Very low31.3Very low167 Ų167129.1 Ų129.178%0.7876%0.763SS**  trans-105.7140.1-178.5171.5-169.916.700111.3
279W27.1Very low30.8Very low253 Ų253131.1 Ų131.196%0.95875%0.754SS**  trans-139.9146.1158.3-81.389.6000109.7
280S31.4Very low31Very low85 Ų85138.1 Ų138.159%0.59476%0.763SS**  trans-147.9132.6-163.7172.80000112.4
281L31.5Very low30.9Very low169 Ų169134.8 Ų134.889%0.88576%0.761SS**  trans36.3142.7148.2-65.1166.8000122
282C27.3Very low31Very low116 Ų116137.2 Ų137.278%0.78477%0.772SS**  trans-70160.9174.9-49.10000113.7
283P36.6Very low31Very low130 Ų130138 Ų13884%0.84477%0.771SS**  trans-73.2167.1158.534-35.3000112
284A28.5Very low30.9Very low93 Ų93140.1 Ų140.177%0.76977%0.772SS**  trans-138.5-153.9-178.900000111
285D33Very low30.6Very low154 Ų154142.9 Ų142.982%0.82477%0.774SS**  trans71.7142176.8-86.4-141.3000117.2
286E34.2Very low30.5Very low145 Ų145141.7 Ų141.768%0.67877%0.771SS**  cis-161.6177.1-15.6-136-72.487.900110.1
287E28.7Very low30.6Very low115 Ų115145.1 Ų145.154%0.53777%0.774SS.*  trans103.775.9147.3-154.2159.2-152.700119
288R28.4Very low30.4Very low174 Ų174148.6 Ų148.666%0.65778%0.778SS**  59.4130.1112.7-163.5-168.9-144.7160.413.4118.5
289R29Very low30.1Very low170 Ų170144.7 Ų144.764%0.64277%0.774SS**  176.2118.891.4-164.8168.9-60.9-164.10.7114.5
290R31.4Very low30.7Very low202 Ų202138.1 Ų138.176%0.76276%0.764SS**  trans41.6117.3155.8-74-173.8-84.7-927.4119.9
291A26.9Very low30.4Very low102 Ų102139.4 Ų139.484%0.84377%0.773SS**PPolyproline II helixtrans-72.1156.2148.400000111.5
292T34.8Very low30.1Very low144 Ų144140.2 Ų140.288%0.88377%0.772SS**PPolyproline II helixtrans-99.3136.4171.8-56.50000110
293H30.8Very low30.3Very low157 Ų157141.4 Ų141.473%0.72778%0.776SS**PPolyproline II helixtrans-94.1140.8-177.1177-98.9000111.3
294L31.1Very low29.9Very low163 Ų163139.3 Ų139.385%0.85377%0.77SS**  trans-169.8159.2136.6-104.4169.1000111
295N27.6Very low30.1Very low152 Ų152143.4 Ų143.481%0.81378%0.778SS**  trans-124.9140.1-172.7-161.2-4.3000108.7
296G26.3Very low30Very low71 Ų71140.3 Ų140.373%0.73277%0.774SS**  trans-165.2122.7-171.400000114.3
297L33.1Very low29.7Very low169 Ų169139.6 Ų139.689%0.88578%0.783SS**  trans-77.9135.7179-65.3143.6000111.4
298Q27.8Very low29.8Very low190 Ų190139.4 Ų139.489%0.88880%0.795SS**  168.9134.7118.5-92.2172.229.100113.4
299A27.2Very low30.6Very low85 Ų85137 Ų13770%0.70280%0.801SS**  trans-96.1169.5141.500000107.1
300P38.7Very low31.3Very low115 Ų115134 Ų13475%0.74780%0.804SS**  cis-139.2-177.116.443.7-26.6000115.2
301S25.3Very low31.3Very low111 Ų111132.6 Ų132.678%0.77681%0.808SS**  173.3143.6116.1-73.60000112
302E26.5Very low31.5Very low186 Ų186135.9 Ų135.987%0.86981%0.806SS**  trans-80.8147.1165-61.7165.192.700110.6
303T31.4Very low31.2Very low142 Ų142134.8 Ų134.887%0.87180%0.803SS**  trans-139.9114.5143.9-34.70000108.8
304A27.9Very low31.2Very low85 Ų85134.9 Ų134.970%0.70281%0.808SS**  trans-81.1150.4176.300000111.5
305L32.2Very low31.3Very low179 Ų179132.8 Ų132.894%0.93781%0.807SS**  trans-146.4142.8143.8-135.391.5000108.7
306A30.9Very low31.9Very low90 Ų90131.5 Ų131.574%0.74481%0.807SS**  trans-110.9145.8-174.600000111.7
307C27.5Very low32.3Very low130 Ų130137.5 Ų137.588%0.87882%0.816SS**  trans-178.9158.3134-96.50000113.7
308S31.2Very low32Very low111 Ų111135.4 Ų135.478%0.77681%0.814SS**  trans-159173.2170.3-62.60000106.8
309P45.8Very low32.2Very low123 Ų123131.3 Ų131.380%0.79981%0.806SS**  cis-104.5-123.9-8.243.8-29.6000107.6
310P43.2Very low32.3Very low108 Ų108136.1 Ų136.170%0.70181%0.814SS**  cis-111.9-176.6-7.442.7-30.3000114
311M31.7Very low32Very low171 Ų171138.7 Ų138.784%0.84282%0.816SS**  trans-86.4155.4157.2-65.2173.2169.600110.9
312Q30.1Very low32.6Very low172 Ų172139.2 Ų139.280%0.80482%0.817SS**  trans-139.4132.7145.2-67.3-16717.200109.7
313C28.8Very low32.7Very low120 Ų120135 Ų13581%0.81181%0.808SS**  trans-103.5128.2171-64.40000108.7
314L30.2Very low32.7Very low159 Ų159137 Ų13783%0.83281%0.807SS**  trans-137.6125.5167.5-72.2176.3000109.1
315S33.3Very low32.7Very low120 Ų120138.7 Ų138.784%0.83981%0.809SS**  trans-90.3144.1170.6-59.30000109.7
316P41Very low32.6Very low124 Ų124139 Ų13981%0.80581%0.805SS**  trans-86.2104.6162.932.4-27.8000109.6
317E33.8Very low32.7Very low198 Ų198140.3 Ų140.393%0.92581%0.805SS**  trans-80.7135.9157.2-175.3161.97000108.2
318C28.2Very low33.5Very low124 Ų124139.5 Ų139.584%0.83880%0.797SS**  trans-147136179.5-169.30000109.9
319S31Very low33.9Very low105 Ų105140.4 Ų140.473%0.73480%0.801SS**  trans-144.7173.2-176.5-168.50000110.3
320E29.4Very low33.2Very low185 Ų185138 Ų13886%0.86480%0.799SS**  trans76.296.4167.6-49.6-156.3115.200117.6
321Q32.7Very low32.7Very low170 Ų170141.7 Ų141.779%0.79481%0.811SS**  trans-61.8157.7144.7-118.1177.5-74.200109.6
322P36.8Very low32.6Very low121 Ų121136.2 Ų136.279%0.78680%0.799SS**  -143.8158.86637.4-19.2000116.7
323S30.3Very low32.7Very low97 Ų97136 Ų13668%0.67880%0.804SS**  trans-88.5145.1171.233.90000111.5
324Q31.3Very low33.1Very low185 Ų185138.3 Ų138.386%0.86480%0.803SS**  trans-127.1137.1167.1-76-16366.500111.7
325T27Very low33.5Very low121 Ų121136.4 Ų136.474%0.74280%0.799SS**  trans-82.4135.2178-56.70000110.9
326H30.6Very low33.5Very low184 Ų184135.2 Ų135.285%0.85279%0.791SS**  trans-151.5127.2150.2-100.4-68.1000112.3
327T32.6Very low33.9Very low119 Ų119134.7 Ų134.773%0.7379%0.788SS**  trans-96.2158173.2-22.70000110.4
328P43.7Very low33.8Very low112 Ų112131.6 Ų131.673%0.72778%0.783SS**  trans-131.5147.8136.435.7-26000113.2
329P40.4Very low34Very low130 Ų130130.6 Ų130.684%0.84478%0.783SS**  trans-79154.6171.934.1-34.6000111.7
330G30.9Very low34.5Very low74 Ų74132.3 Ų132.376%0.76379%0.789SS**  trans-106.6176.7-174.500000115.7
331L34Very low34.8Very low184 Ų184128.3 Ų128.396%0.96379%0.787SS**  trans-156143166.6-145.491.4000109.8
332G29.1Very low35.2Very low57 Ų57125.3 Ų125.359%0.58879%0.792SS**  trans105.3102.8157.800000119.2
333N30.9Very low35Very low168 Ų168123 Ų12390%0.89879%0.79SS**  trans74.6121.6135.7-50.8-29.5000122
334Q37.1Very low35.8Very low168 Ų168128.3 Ų128.379%0.78580%0.804SS**  trans-63.6168.9156.7-79.2-81.834.200112
335P40.5Very low36.4Very low118 Ų118127 Ų12777%0.76680%0.798SS**  cis-137.3171.425.741.7-23000119
336S32.5Very low37.2Very low95 Ų95127.1 Ų127.166%0.66480%0.803SS**  trans-68.9166.1169.5600000114.6
337P48.6Very low38Very low114 Ų114127.8 Ų127.874%0.7481%0.806SS**  -147.3148.410038.2-23.2000117.9
338T32.2Very low38.9Very low133 Ų133127.9 Ų127.982%0.81680%0.798SS**  trans40.9115.7138-47.90000122.1
339A32.9Very low39.4Very low103 Ų103130.3 Ų130.385%0.85180%0.803SS**  trans-150.6152.5135.800000110
340V40.2Very low40.2Very low140 Ų140128.6 Ų128.685%0.84879%0.791SS**  trans-118.4132.2-178.1174.70000110.3
341A36.6Very low41.2Very low101 Ų101128.1 Ų128.184%0.83577%0.774SS**  trans-149.7128.2157.100000109.3
342A42.1Very low42.2Very low107 Ų107125.4 Ų125.488%0.88476%0.756SS**  trans-91.4145.5162.500000108.6
343G32.4Very low43.5Very low73 Ų73127.7 Ų127.775%0.75376%0.759SS**  trans-164.1123.2178.400000110.7E345G343-E345 PolarHBondContact O-N 3.41Å; G343-E345 VanDerWaalsContact O-N 3.16Å
344E46.2Very low44.9Very low209 Ų209125.3 Ų125.398%0.97774%0.742SS**  trans-88.570.9-170.8-66.5159.1101.500111.8
345E43.8Very low46.1Very low156 Ų156120.9 Ų120.973%0.72973%0.727SS**  trans-13178.3179.3-161171.9-175.400113.2G343G343-E345 PolarHBondContact O-N 3.41Å; G343-E345 VanDerWaalsContact O-N 3.16Å
346C43.9Very low47.4Very low125 Ų125120 Ų12085%0.84572%0.719SS**  trans-137.234.6170.2-81.30000112.1
347Q48.2Very low49.9Very low197 Ų197120.9 Ų120.992%0.92172%0.716SS**SBendtrans-125.5-2.3175.9-65.9-166.837.200114.6
348Q50.3Low51.8Low122 Ų122120 Ų12057%0.5771%0.705SS**  trans-118.252.4-171.4-162.8102.874.200113H352Q348-H352 PolarHBondContact NE2-CD2 3.4Å
349I54.7Low54.5Low162 Ų162120.7 Ų120.783%0.83170%0.696SS**  trans-12036.5172.5-34.1-179000111.5
350V57.2Low57.3Low95 Ų95118.4 Ų118.458%0.57668%0.677SS**SBendtrans-126.3126.3164.7178.80000107.2H352 V355V350-H352 PolarHBondContact O-N 3.31Å; V350-V355 HydrophobicContact CG1-CG2 4.2Å
351P51.4Low59.8Low64 Ų64116.8 Ų116.842%0.41666%0.66SS.*  trans-62109.2177.4-22.834.3000111.2T353 E354P351-T353 PolarHBondContact O-N 3.06Å; P351-E354 HydrophobicContact CB-CG 4.21Å; P351-E354 PolarHBondContact O-N 3.33Å
352H54.8Low62.6Low126 Ų126116.9 Ų116.958%0.58365%0.647SS**Hα-helixtrans-57.2-25.6178.1-103.3-34.4000112.9Q348 V350 E354 V355 V356Q348-H352 PolarHBondContact NE2-CD2 3.4Å; V350-H352 PolarHBondContact O-N 3.31Å; H352-E354 PolarHBondContact O-N 2.99Å; H352-V355 PolarHBondContact O-N 3.06Å; H352-V356 WeakPolarHBondContact O-CG2 3.46Å; H352-V356 PolarHBondContact O-N 3.31Å
353T57.6Low65.1Low106 Ų106116 Ų11665%0.6562%0.624SS**Hα-helixtrans-56.8-42.9174.343.90000113.2P351 V356 D357P351-T353 PolarHBondContact O-N 3.06Å; T353-V356 PolarHBondContact O-N 3.28Å; T353-D357 PolarHBondContact O-N 2.98Å
354E60.7Low68Low117 Ų117118.8 Ų118.855%0.54762%0.619SS.*Hα-helixtrans-69.6-39-179.1-66.9173.8-17000111.2P351 H352 V356 D357 L358P351-E354 HydrophobicContact CB-CG 4.21Å; P351-E354 PolarHBondContact O-N 3.33Å; H352-E354 PolarHBondContact O-N 2.99Å; E354-V356 VanDerWaalsContact C-N 3.34Å; E354-D357 PolarHBondContact O-N 3.3Å; E354-L358 WeakPolarHBondContact O-CB 3.49Å; E354-L358 WeakPolarHBondContact O-CG 3.45Å; E354-L358 PolarHBondContact O-N 2.83Å
355V61.8Low70.4Confident76 Ų76113.7 Ų113.746%0.46160%0.596SS.*Hα-helixtrans-67.8-35.4177.4-174.30000111.4V350 H352 K359V350-V355 HydrophobicContact CG1-CG2 4.2Å; H352-V355 PolarHBondContact O-N 3.06Å; V355-K359 VanDerWaalsContact O-CB 3.25Å; V355-K359 WeakPolarHBondContact O-CB 3.39Å; V355-K359 PolarHBondContact O-N 3.41Å
356V68.3Low72.9Confident98 Ų98111.1 Ų111.159%0.59459%0.585SS**Hα-helixtrans-69-40.9175.2169.20000111.4H352 T353 E354 K359 A360H352-V356 WeakPolarHBondContact O-CG2 3.46Å; H352-V356 PolarHBondContact O-N 3.31Å; T353-V356 PolarHBondContact O-N 3.28Å; E354-V356 VanDerWaalsContact C-N 3.34Å; V356-K359 PolarHBondContact O-N 2.98Å; V356-A360 PolarHBondContact O-N 3.07Å
357D83.9Confident75.4Confident114 Ų114109.9 Ų109.961%0.6157%0.569SS**Hα-helixtrans-69-45.5177.8-165.745000111.9T353 E354 K359 A360 Q361T353-D357 PolarHBondContact O-N 2.98Å; E354-D357 PolarHBondContact O-N 3.3Å; D357-K359 VanDerWaalsContact C-N 3.27Å; D357-K359 PolarHBondContact O-N 3.06Å; D357-A360 CarbonylContact O-C 3.51Å; D357-A360 WeakPolarHBondContact O-CB 3.46Å; D357-A360 PolarHBondContact O-N 3.41Å; D357-Q361 PolarHBondContact O-N 2.89Å
358L89.4Confident77.7Confident96 Ų96106.1 Ų106.150%0.50356%0.555SS.*Hα-helixtrans-57.6-38.7171.8-81.8162.1000112.4E354 Q361 L362E354-L358 WeakPolarHBondContact O-CB 3.49Å; E354-L358 WeakPolarHBondContact O-CG 3.45Å; E354-L358 PolarHBondContact O-N 2.83Å; L358-Q361 PolarHBondContact O-N 3.33Å; L358-L362 WeakPolarHBondContact O-CG 3.09Å; L358-L362 PolarHBondContact O-N 3.41Å
359K87.4Confident79.9Confident148 Ų148105.2 Ų105.264%0.64355%0.553SS**Hα-helixtrans-66.8-39.6174.4-175.2173.8-178.9175.80112V355 V356 D357 L362 Q363V355-K359 VanDerWaalsContact O-CB 3.25Å; V355-K359 WeakPolarHBondContact O-CB 3.39Å; V355-K359 PolarHBondContact O-N 3.41Å; V356-K359 PolarHBondContact O-N 2.98Å; D357-K359 VanDerWaalsContact C-N 3.27Å; D357-K359 PolarHBondContact O-N 3.06Å; K359-L362 PolarHBondContact O-N 2.95Å; K359-Q363 WeakPolarHBondContact O-CB 3.47Å; K359-Q363 PolarHBondContact O-N 2.86Å
360A92.2Very high81.9Confident54 Ų54100.7 Ų100.745%0.44654%0.536SS..Hα-helixtrans-66.1-38.6174.500000112V356 D357 Q363 M364V356-A360 PolarHBondContact O-N 3.07Å; D357-A360 CarbonylContact O-C 3.51Å; D357-A360 WeakPolarHBondContact O-CB 3.46Å; D357-A360 PolarHBondContact O-N 3.41Å; A360-Q363 PolarHBondContact O-N 3.46Å; A360-M364 WeakPolarHBondContact O-CB 3.37Å; A360-M364 PolarHBondContact O-N 3.23Å
361Q93.6Very high83.9Confident106 Ų10699.3 Ų99.350%0.49553%0.53SS..Hα-helixtrans-64.1-44.4174.7-173.3-176.22.500112.1D357 L358 M364 M365D357-Q361 PolarHBondContact O-N 2.89Å; L358-Q361 PolarHBondContact O-N 3.33Å; Q361-M364 WeakPolarHBondContact O-CB 3.38Å; Q361-M364 PolarHBondContact O-N 3.49Å; Q361-M365 PolarHBondContact O-N 2.95Å
362L93.8Very high86Confident104 Ų10498.6 Ų98.655%0.54553%0.527SS..Hα-helixtrans-61.8-46174-75.1168.6000111.2L358 K359 M364 M365 E366L358-L362 WeakPolarHBondContact O-CG 3.09Å; L358-L362 PolarHBondContact O-N 3.41Å; K359-L362 PolarHBondContact O-N 2.95Å; L362-M364 VanDerWaalsContact C-N 3.27Å; L362-M364 PolarHBondContact O-N 2.75Å; L362-M365 WeakPolarHBondContact O-CB 3.42Å; L362-M365 PolarHBondContact O-N 3.3Å; L362-M365 VanDerWaalsContact O-N 3.07Å; L362-E366 WeakPolarHBondContact O-CG 3.21Å; L362-E366 PolarHBondContact O-N 3.21Å
363Q94.6Very high88.1Confident87 Ų8799.1 Ų99.141%0.40753%0.53SS..Hα-helixtrans-61.5-36.1176.8-162.768.582.300112.3K359 A360 E366 N367K359-Q363 WeakPolarHBondContact O-CB 3.47Å; K359-Q363 PolarHBondContact O-N 2.86Å; A360-Q363 PolarHBondContact O-N 3.46Å; Q363-E366 PolarHBondContact NE2-OE2 3.32Å; Q363-N367 WeakPolarHBondContact O-CB 3.35Å; Q363-N367 PolarHBondContact O-N 3.21Å; Q363-N367 PolarHBondContact O-ND2 3.41Å; Q363-N367 VanDerWaalsContact O-ND2 3.15Å
364M94.5Very high90Very high133 Ų133100.4 Ų100.466%0.65553%0.528SS*.Hα-helixtrans-63.8-43.4172.9-171.4-164.5-58.700111.6A360 Q361 L362 N367 L368A360-M364 WeakPolarHBondContact O-CB 3.37Å; A360-M364 PolarHBondContact O-N 3.23Å; Q361-M364 WeakPolarHBondContact O-CB 3.38Å; Q361-M364 PolarHBondContact O-N 3.49Å; L362-M364 VanDerWaalsContact C-N 3.27Å; L362-M364 PolarHBondContact O-N 2.75Å; M364-N367 PolarHBondContact O-N 2.94Å; M364-L368 WeakPolarHBondContact O-CB 3.38Å; M364-L368 PolarHBondContact O-N 3.24Å
365M96.9Very high91.7Very high101 Ų10198.4 Ų98.450%0.49852%0.524SS..Hα-helixtrans-63.8-44.1175-84.2-178.254.700112.3Q361 L362 N367 L368 I369Q361-M365 PolarHBondContact O-N 2.95Å; L362-M365 WeakPolarHBondContact O-CB 3.42Å; L362-M365 PolarHBondContact O-N 3.3Å; L362-M365 VanDerWaalsContact O-N 3.07Å; M365-N367 VanDerWaalsContact C-N 3.34Å; M365-N367 PolarHBondContact O-N 3.47Å; M365-L368 PolarHBondContact O-N 2.87Å; M365-I369 WeakPolarHBondContact O-CB 3.48Å; M365-I369 WeakPolarHBondContact O-CD1 3.39Å; M365-I369 VanDerWaalsContact O-CG1 3.23Å; M365-I369 WeakPolarHBondContact O-CG1 3.38Å; M365-I369 PolarHBondContact O-N 3.49Å
366E95.3Very high93.3Very high103 Ų10399.3 Ų99.348%0.48153%0.525SS..Hα-helixtrans-59.4-43.9175.8-72173.4-174.900111.9L362 Q363 I369 S370L362-E366 WeakPolarHBondContact O-CG 3.21Å; L362-E366 PolarHBondContact O-N 3.21Å; Q363-E366 PolarHBondContact NE2-OE2 3.32Å; E366-I369 PolarHBondContact O-N 2.92Å; E366-S370 WeakPolarHBondContact O-CB 3.11Å; E366-S370 PolarHBondContact O-N 3.45Å; E366-S370 PolarHBondContact O-OG 3.08Å
367N96Very high94.7Very high98 Ų98102.2 Ų102.252%0.52453%0.53SS..Hα-helixtrans-64.8-41.8176.2-71.7-23.9000111.9Q363 M364 M365 S370 S371Q363-N367 WeakPolarHBondContact O-CB 3.35Å; Q363-N367 PolarHBondContact O-N 3.21Å; Q363-N367 PolarHBondContact O-ND2 3.41Å; Q363-N367 VanDerWaalsContact O-ND2 3.15Å; M364-N367 PolarHBondContact O-N 2.94Å; M365-N367 VanDerWaalsContact C-N 3.34Å; M365-N367 PolarHBondContact O-N 3.47Å; N367-S370 PolarHBondContact O-N 2.84Å; N367-S371 VanDerWaalsContact O-CB 3.28Å; N367-S371 WeakPolarHBondContact O-CB 3.42Å; N367-S371 PolarHBondContact O-N 3.17Å
368L96.9Very high95.4Very high118 Ų118101 Ų10162%0.61853%0.527SS*.Hα-helixtrans-65.3-43.5176.5-179.863.1000111.8M364 M365 S371 S372M364-L368 WeakPolarHBondContact O-CB 3.38Å; M364-L368 PolarHBondContact O-N 3.24Å; M365-L368 PolarHBondContact O-N 2.87Å; L368-S371 PolarHBondContact O-N 2.73Å; L368-S372 VanDerWaalsContact O-CB 3.31Å; L368-S372 WeakPolarHBondContact O-CB 3.25Å; L368-S372 PolarHBondContact O-N 3.47Å; L368-S372 PolarHBondContact O-OG 3.26Å
369I96.5Very high95.8Very high103 Ų103101.2 Ų101.253%0.52853%0.527SS..Hα-helixtrans-61.8-48.7176.4-70.7163.7000109.7M365 E366 S371 S372 Q373M365-I369 WeakPolarHBondContact O-CB 3.48Å; M365-I369 WeakPolarHBondContact O-CD1 3.39Å; M365-I369 VanDerWaalsContact O-CG1 3.23Å; M365-I369 WeakPolarHBondContact O-CG1 3.38Å; M365-I369 PolarHBondContact O-N 3.49Å; E366-I369 PolarHBondContact O-N 2.92Å; I369-S371 PolarHBondContact O-N 3.19Å; I369-S372 PolarHBondContact O-N 3.48Å; I369-S372 PolarHBondContact O-OG 2.92Å; I369-Q373 PolarHBondContact O-N 2.9Å
370S97.7Very high96.1Very high67 Ų6799.2 Ų99.247%0.46952%0.523SS..Hα-helixtrans-60.2-46.4178.4-56.80000112.2E366 N367 S372 Q373 E374E366-S370 WeakPolarHBondContact O-CB 3.11Å; E366-S370 PolarHBondContact O-N 3.45Å; E366-S370 PolarHBondContact O-OG 3.08Å; N367-S370 PolarHBondContact O-N 2.84Å; S370-S372 VanDerWaalsContact C-N 3.34Å; S370-S372 PolarHBondContact O-N 3.48Å; S370-Q373 WeakPolarHBondContact O-CB 3.33Å; S370-Q373 PolarHBondContact O-N 3.45Å; S370-E374 PolarHBondContact O-N 2.86Å
371S97.6Very high96.3Very high66 Ų6698 Ų9846%0.46252%0.517SS..Hα-helixtrans-64-37.2175.9-177.20000112.2N367 L368 I369 T375N367-S371 VanDerWaalsContact O-CB 3.28Å; N367-S371 WeakPolarHBondContact O-CB 3.42Å; N367-S371 PolarHBondContact O-N 3.17Å; L368-S371 PolarHBondContact O-N 2.73Å; I369-S371 PolarHBondContact O-N 3.19Å; S371-T375 WeakPolarHBondContact O-CB 3.18Å; S371-T375 PolarHBondContact O-N 3.45Å; S371-T375 PolarHBondContact O-OG1 3.15Å
372S97.3Very high96.5Very high50 Ų5096.4 Ų96.435%0.3551%0.514SS..Hα-helixtrans-67.4-38.4174.780.50000112L368 I369 S370 T375 I376L368-S372 VanDerWaalsContact O-CB 3.31Å; L368-S372 WeakPolarHBondContact O-CB 3.25Å; L368-S372 PolarHBondContact O-N 3.47Å; L368-S372 PolarHBondContact O-OG 3.26Å; I369-S372 PolarHBondContact O-N 3.48Å; I369-S372 PolarHBondContact O-OG 2.92Å; S370-S372 VanDerWaalsContact C-N 3.34Å; S370-S372 PolarHBondContact O-N 3.48Å; S372-T375 PolarHBondContact O-N 3.01Å; S372-I376 WeakPolarHBondContact O-CB 3.35Å; S372-I376 WeakPolarHBondContact O-CD1 3.29Å; S372-I376 WeakPolarHBondContact O-CG1 3.49Å; S372-I376 PolarHBondContact O-N 3Å
373Q97.6Very high96.4Very high137 Ų13795.3 Ų95.364%0.6451%0.508SS*.Hα-helixtrans-64.6-44.4176.4-170-170.442.400111.1I369 S370 I376 K377I369-Q373 PolarHBondContact O-N 2.9Å; S370-Q373 WeakPolarHBondContact O-CB 3.33Å; S370-Q373 PolarHBondContact O-N 3.45Å; Q373-I376 PolarHBondContact O-N 3.23Å; Q373-K377 VanDerWaalsContact O-CB 3.26Å; Q373-K377 WeakPolarHBondContact O-CB 3.28Å; Q373-K377 PolarHBondContact O-N 3.5Å
374E97.3Very high96.3Very high133 Ų13397.8 Ų97.862%0.62152%0.519SS*.Hα-helixtrans-63.6-44.9174.2-177.3165.6-138.400111.7S370 I376 K377 V378S370-E374 PolarHBondContact O-N 2.86Å; E374-I376 PolarHBondContact O-N 3.32Å; E374-K377 WeakPolarHBondContact O-CB 3.37Å; E374-K377 PolarHBondContact O-N 3.03Å; E374-K377 VanDerWaalsContact O-N 3.17Å; E374-V378 WeakPolarHBondContact O-CG2 3.34Å; E374-V378 PolarHBondContact O-N 3.47Å
375T97.8Very high96.1Very high74 Ų7498.3 Ų98.345%0.45452%0.52SS..Hα-helixtrans-58.6-46.5176.1-58.90000111.5S371 S372 K377 V378 L379S371-T375 WeakPolarHBondContact O-CB 3.18Å; S371-T375 PolarHBondContact O-N 3.45Å; S371-T375 PolarHBondContact O-OG1 3.15Å; S372-T375 PolarHBondContact O-N 3.01Å; T375-K377 PolarHBondContact O-N 2.85Å; T375-V378 PolarHBondContact O-N 2.75Å; T375-L379 HydrophobicContact CG2-CD1 4.04Å; T375-L379 WeakPolarHBondContact O-CB 3.3Å; T375-L379 VanDerWaalsContact O-CG 3.28Å; T375-L379 WeakPolarHBondContact O-CG 3.49Å; T375-L379 PolarHBondContact O-N 2.89Å
376I95.6Very high95.8Very high96 Ų9699.3 Ų99.349%0.49253%0.527SS..Hα-helixtrans-62.4-42.7176-71.2163.3000110.7S372 Q373 E374 V378 L379 L380S372-I376 WeakPolarHBondContact O-CB 3.35Å; S372-I376 WeakPolarHBondContact O-CD1 3.29Å; S372-I376 WeakPolarHBondContact O-CG1 3.49Å; S372-I376 PolarHBondContact O-N 3Å; Q373-I376 PolarHBondContact O-N 3.23Å; E374-I376 PolarHBondContact O-N 3.32Å; I376-V378 PolarHBondContact O-N 3.31Å; I376-L379 PolarHBondContact O-N 3.03Å; I376-L380 HydrophobicContact CG2-CD1 3.79Å; I376-L380 HydrophobicContact CG2-CG 4.27Å; I376-L380 WeakPolarHBondContact O-CB 3.48Å; I376-L380 VanDerWaalsContact O-CG 3.26Å; I376-L380 WeakPolarHBondContact O-CG 3.43Å; I376-L380 PolarHBondContact O-N 3.17Å
377K97.1Very high95.4Very high159 Ų15999.4 Ų99.469%0.69153%0.527SS*.Hα-helixtrans-61.8-42.3177.5-177.8-177.8177.6-174.10112.1Q373 E374 T375 G381Q373-K377 VanDerWaalsContact O-CB 3.26Å; Q373-K377 WeakPolarHBondContact O-CB 3.28Å; Q373-K377 PolarHBondContact O-N 3.5Å; E374-K377 WeakPolarHBondContact O-CB 3.37Å; E374-K377 PolarHBondContact O-N 3.03Å; E374-K377 VanDerWaalsContact O-N 3.17Å; T375-K377 PolarHBondContact O-N 2.85Å; K377-G381 PolarHBondContact O-N 2.9Å
378V98.1Very high94.9Very high89 Ų89102.2 Ų102.254%0.53954%0.535SS..Hα-helixtrans-65.7-46.2174.6171.90000111E374 T375 I376 L380 G381 V382E374-V378 WeakPolarHBondContact O-CG2 3.34Å; E374-V378 PolarHBondContact O-N 3.47Å; T375-V378 PolarHBondContact O-N 2.75Å; I376-V378 PolarHBondContact O-N 3.31Å; V378-L380 PolarHBondContact O-N 3.5Å; V378-G381 PolarHBondContact O-N 3.32Å; V378-V382 WeakPolarHBondContact O-CG2 3.47Å; V378-V382 PolarHBondContact O-N 3.47Å
379L97.6Very high94.4Very high99 Ų9998.5 Ų98.552%0.51853%0.525SS..Hα-helixtrans-61-43.6177.7-72.8170.6000112.2T375 I376 G381 V382 I383T375-L379 HydrophobicContact CG2-CD1 4.04Å; T375-L379 WeakPolarHBondContact O-CB 3.3Å; T375-L379 VanDerWaalsContact O-CG 3.28Å; T375-L379 WeakPolarHBondContact O-CG 3.49Å; T375-L379 PolarHBondContact O-N 2.89Å; I376-L379 PolarHBondContact O-N 3.03Å; L379-G381 VanDerWaalsContact C-N 3.32Å; L379-G381 PolarHBondContact O-N 3.49Å; L379-V382 PolarHBondContact O-N 2.84Å; L379-I383 WeakPolarHBondContact O-CB 3.45Å; L379-I383 WeakPolarHBondContact O-CD1 3.47Å; L379-I383 VanDerWaalsContact O-CG1 3.22Å; L379-I383 WeakPolarHBondContact O-CG1 3.23Å; L379-I383 PolarHBondContact O-N 2.76Å
380L94.3Very high93.7Very high106 Ų10698.2 Ų98.256%0.55552%0.521SS*.Hα-helixtrans-62.9-37.6175-72.6171.4000112I376 V378 Q384I376-L380 HydrophobicContact CG2-CD1 3.79Å; I376-L380 HydrophobicContact CG2-CG 4.27Å; I376-L380 WeakPolarHBondContact O-CB 3.48Å; I376-L380 VanDerWaalsContact O-CG 3.26Å; I376-L380 WeakPolarHBondContact O-CG 3.43Å; I376-L380 PolarHBondContact O-N 3.17Å; V378-L380 PolarHBondContact O-N 3.5Å; L380-Q384 VanDerWaalsContact O-CB 3.31Å; L380-Q384 WeakPolarHBondContact O-CB 3.47Å; L380-Q384 PolarHBondContact O-N 3.46Å
381G96.1Very high92.8Very high30 Ų3095.4 Ų95.431%0.30950%0.502SS..Hα-helixtrans-61.1-51.5172.600000112.4K377 V378 L379 I383 Q384 E385K377-G381 PolarHBondContact O-N 2.9Å; V378-G381 PolarHBondContact O-N 3.32Å; L379-G381 VanDerWaalsContact C-N 3.32Å; L379-G381 PolarHBondContact O-N 3.49Å; G381-I383 VanDerWaalsContact C-N 3.35Å; G381-I383 PolarHBondContact O-N 2.92Å; G381-Q384 PolarHBondContact O-N 2.88Å; G381-Q384 VanDerWaalsContact O-N 3.16Å; G381-E385 PolarHBondContact O-N 2.96Å
382V97.2Very high91.9Very high71 Ų71100.3 Ų100.343%0.4352%0.518SS..Hα-helixtrans-61.7-41.2178.2173.80000111.6V378 L379 E385 L386V378-V382 WeakPolarHBondContact O-CG2 3.47Å; V378-V382 PolarHBondContact O-N 3.47Å; L379-V382 PolarHBondContact O-N 2.84Å; V382-E385 PolarHBondContact O-N 3.43Å; V382-L386 HydrophobicContact CG1-CD1 3.96Å; V382-L386 HydrophobicContact CG1-CG 4.43Å; V382-L386 WeakPolarHBondContact O-CB 3.42Å; V382-L386 VanDerWaalsContact O-CG 3.27Å; V382-L386 WeakPolarHBondContact O-CG 3.27Å; V382-L386 PolarHBondContact O-N 2.89Å
383I92.9Very high91Very high82 Ų82106.7 Ų106.742%0.42153%0.534SS..Hα-helixtrans-60.6-47.4174-70.1163.7000110.3L379 G381 E385 L386 E387L379-I383 WeakPolarHBondContact O-CB 3.45Å; L379-I383 WeakPolarHBondContact O-CD1 3.47Å; L379-I383 VanDerWaalsContact O-CG1 3.22Å; L379-I383 WeakPolarHBondContact O-CG1 3.23Å; L379-I383 PolarHBondContact O-N 2.76Å; G381-I383 VanDerWaalsContact C-N 3.35Å; G381-I383 PolarHBondContact O-N 2.92Å; I383-E385 VanDerWaalsContact C-N 3.32Å; I383-E385 PolarHBondContact O-N 3.37Å; I383-L386 PolarHBondContact O-N 3.37Å; I383-E387 HydrophobicContact CG2-CG 4.2Å; I383-E387 WeakPolarHBondContact O-CB 3.28Å; I383-E387 WeakPolarHBondContact O-CG 3.39Å; I383-E387 PolarHBondContact O-N 2.92Å
384Q91.1Very high90.2Very high139 Ų139105.8 Ų105.865%0.6553%0.53SS*.Hα-helixtrans-63.9-35179.6-175.917167.500112.7L380 G381 K388L380-Q384 VanDerWaalsContact O-CB 3.31Å; L380-Q384 WeakPolarHBondContact O-CB 3.47Å; L380-Q384 PolarHBondContact O-N 3.46Å; G381-Q384 PolarHBondContact O-N 2.88Å; G381-Q384 VanDerWaalsContact O-N 3.16Å; Q384-K388 WeakPolarHBondContact O-CB 3.41Å; Q384-K388 PolarHBondContact O-N 3.47Å
385E91.2Very high89Confident144 Ų144102.8 Ų102.867%0.67354%0.535SS*.Hα-helixtrans-68-42.4173.1-72.8-172.7166.200112.4G381 V382 I383 K388 G389G381-E385 PolarHBondContact O-N 2.96Å; V382-E385 PolarHBondContact O-N 3.43Å; I383-E385 VanDerWaalsContact C-N 3.32Å; I383-E385 PolarHBondContact O-N 3.37Å; E385-K388 PolarHBondContact O-N 2.99Å; E385-G389 PolarHBondContact O-N 3.45Å
386L90.2Very high87.4Confident121 Ų121103.5 Ų103.563%0.63454%0.535SS*.Hα-helixtrans-65.4-46.8176.3-70.9170.6000111.9V382 I383 K388 G389 E390V382-L386 HydrophobicContact CG1-CD1 3.96Å; V382-L386 HydrophobicContact CG1-CG 4.43Å; V382-L386 WeakPolarHBondContact O-CB 3.42Å; V382-L386 VanDerWaalsContact O-CG 3.27Å; V382-L386 WeakPolarHBondContact O-CG 3.27Å; V382-L386 PolarHBondContact O-N 2.89Å; I383-L386 PolarHBondContact O-N 3.37Å; L386-K388 VanDerWaalsContact C-N 3.35Å; L386-K388 PolarHBondContact O-N 2.87Å; L386-G389 PolarHBondContact O-N 3.02Å; L386-E390 WeakPolarHBondContact O-CB 3.35Å; L386-E390 PolarHBondContact O-N 2.93Å
387E86.4Confident85.7Confident105 Ų105104.1 Ų104.149%0.49155%0.548SS..Hα-helixtrans-60-43.6175.3-74.7-176.116600111.5I383 E390 A391I383-E387 HydrophobicContact CG2-CG 4.2Å; I383-E387 WeakPolarHBondContact O-CB 3.28Å; I383-E387 WeakPolarHBondContact O-CG 3.39Å; I383-E387 PolarHBondContact O-N 2.92Å; E387-E390 PolarHBondContact O-N 2.98Å; E387-A391 VanDerWaalsContact O-CB 3.27Å; E387-A391 WeakPolarHBondContact O-CB 3.41Å; E387-A391 PolarHBondContact O-N 3.48Å
388K85.9Confident83.8Confident158 Ų158102.5 Ų102.569%0.68754%0.539SS*.Hα-helixtrans-64.8-40.7176.2179.6-175.8175.1-169.50111.9Q384 E385 L386 H392Q384-K388 WeakPolarHBondContact O-CB 3.41Å; Q384-K388 PolarHBondContact O-N 3.47Å; E385-K388 PolarHBondContact O-N 2.99Å; L386-K388 VanDerWaalsContact C-N 3.35Å; L386-K388 PolarHBondContact O-N 2.87Å; K388-H392 WeakPolarHBondContact O-CB 3.28Å; K388-H392 PolarHBondContact O-N 2.89Å
389G86.3Confident81.9Confident40 Ų40107.4 Ų107.441%0.41255%0.547SS..Hα-helixtrans-66.5-40.9176.300000112.8E385 L386 R393E385-G389 PolarHBondContact O-N 3.45Å; L386-G389 PolarHBondContact O-N 3.02Å; G389-R393 WeakPolarHBondContact O-CB 3.31Å; G389-R393 PolarHBondContact O-N 3.16Å
390E83.4Confident80.2Confident96 Ų96108 Ų10845%0.44956%0.556SS.*Hα-helixtrans-65.1-47.1173.1177.3141.7-108.600111.8L386 E387 H392 R393 E394L386-E390 WeakPolarHBondContact O-CB 3.35Å; L386-E390 PolarHBondContact O-N 2.93Å; E387-E390 PolarHBondContact O-N 2.98Å; E390-H392 VanDerWaalsContact C-N 3.31Å; E390-H392 PolarHBondContact O-N 3.43Å; E390-R393 VanDerWaalsContact CD-NH2 3.32Å; E390-R393 WeakPolarHBondContact O-CB 3.48Å; E390-R393 PolarHBondContact O-N 2.83Å; E390-R393 IonicContact OE1-CZ 2.67Å; E390-R393 IonicContact OE1-NH2 3.82Å; E390-R393 PolarHBondContact OE1-NH2 3.22Å; E390-E394 WeakPolarHBondContact O-CB 3.38Å; E390-E394 PolarHBondContact O-N 3.35Å
391A78.3Confident78.6Confident8 Ų8105 Ų1057%0.06655%0.55CS..Hα-helixtrans-54.9-47.4175.800000111.8E387 R393 E394 G395 L396 Y398E387-A391 VanDerWaalsContact O-CB 3.27Å; E387-A391 WeakPolarHBondContact O-CB 3.41Å; E387-A391 PolarHBondContact O-N 3.48Å; A391-R393 PolarHBondContact O-N 3.39Å; A391-E394 CarbonylContact O-C 3.56Å; A391-E394 PolarHBondContact O-N 2.95Å; A391-G395 PolarHBondContact O-N 3.47Å; A391-L396 CarbonylContact C-O 3.59Å; A391-L396 VanDerWaalsContact C-O 3.31Å; A391-L396 WeakPolarHBondContact CB-O 3.33Å; A391-L396 PolarHBondContact O-N 3.17Å; A391-Y398 HydrophobicContact CB-CD2 3.48Å; A391-Y398 VanDerWaalsContact CB-CD2 3.48Å; A391-Y398 HydrophobicContact CB-CE2 3.68Å; A391-Y398 HydrophobicContact CB-CG 4.44Å
392H77.6Confident77.1Confident170 Ų170110.1 Ų110.179%0.78757%0.566SS**Hα-helixtrans-65.6-37.8180-154.170.3000112.4K388 E390 G395K388-H392 WeakPolarHBondContact O-CB 3.28Å; K388-H392 PolarHBondContact O-N 2.89Å; E390-H392 VanDerWaalsContact C-N 3.31Å; E390-H392 PolarHBondContact O-N 3.43Å; H392-G395 PolarHBondContact O-N 3.05Å
393R79.3Confident75.4Confident183 Ų183110.3 Ų110.369%0.69156%0.564SS**Hα-helixtrans-65.4-35.7172.8173.3177.765.1-139.54112.8G389 E390 A391 G395G389-R393 WeakPolarHBondContact O-CB 3.31Å; G389-R393 PolarHBondContact O-N 3.16Å; E390-R393 VanDerWaalsContact CD-NH2 3.32Å; E390-R393 WeakPolarHBondContact O-CB 3.48Å; E390-R393 PolarHBondContact O-N 2.83Å; E390-R393 IonicContact OE1-CZ 2.67Å; E390-R393 IonicContact OE1-NH2 3.82Å; E390-R393 PolarHBondContact OE1-NH2 3.22Å; A391-R393 PolarHBondContact O-N 3.39Å; R393-G395 VanDerWaalsContact C-N 3.35Å
394E80.3Confident74.4Confident118 Ų118110 Ų11055%0.55157%0.566SS**Hα-helixtrans-88.1-2.4-178.6-157.5165-146.600113E390 A391 L396 Y398E390-E394 WeakPolarHBondContact O-CB 3.38Å; E390-E394 PolarHBondContact O-N 3.35Å; A391-E394 CarbonylContact O-C 3.56Å; A391-E394 PolarHBondContact O-N 2.95Å; E394-L396 HydrophobicContact CB-CD1 4.38Å; E394-L396 HydrophobicContact CB-CG 4.46Å; E394-L396 HydrophobicContact CG-CD1 3.93Å; E394-L396 HydrophobicContact CG-CG 4.34Å; E394-L396 PolarHBondContact O-N 2.91Å; E394-Y398 PolarHBondContact OE2-OH 2.64Å
395G72.4Confident73.6Confident71 Ų71107.6 Ų107.673%0.73257%0.571SS**THydrogen-bonded Turntrans71.913.4-178.100000114.1A391 H392 R393A391-G395 PolarHBondContact O-N 3.47Å; H392-G395 PolarHBondContact O-N 3.05Å; R393-G395 VanDerWaalsContact C-N 3.35Å
396L64.8Low72.7Confident88 Ų88107.4 Ų107.446%0.46157%0.574SS.*  trans-100.7151.5-177.7-65.4174.2000110.6A391 E394 Y398A391-L396 CarbonylContact C-O 3.59Å; A391-L396 VanDerWaalsContact C-O 3.31Å; A391-L396 WeakPolarHBondContact CB-O 3.33Å; A391-L396 PolarHBondContact O-N 3.17Å; E394-L396 HydrophobicContact CB-CD1 4.38Å; E394-L396 HydrophobicContact CB-CG 4.46Å; E394-L396 HydrophobicContact CG-CD1 3.93Å; E394-L396 HydrophobicContact CG-CG 4.34Å; E394-L396 PolarHBondContact O-N 2.91Å; L396-Y398 HydrophobicContact CB-CE1 4.25Å; L396-Y398 HydrophobicContact CD1-CE1 4.04Å; L396-Y398 WeakPolarHBondContact CD1-OH 3.42Å
397S60Low72.1Confident109 Ų109103.8 Ų103.876%0.76256%0.558SS**  trans-119104.516759.70000109.3R399S397-R399 PolarHBondContact O-N 3.38Å
398Y56.4Low71.9Confident126 Ų126103.3 Ų103.349%0.49456%0.559SS.*  trans-73.199.3179.8-64.2-53.6000110.2A391 E394 L396 T400A391-Y398 HydrophobicContact CB-CD2 3.48Å; A391-Y398 VanDerWaalsContact CB-CD2 3.48Å; A391-Y398 HydrophobicContact CB-CE2 3.68Å; A391-Y398 HydrophobicContact CB-CG 4.44Å; E394-Y398 PolarHBondContact OE2-OH 2.64Å; L396-Y398 HydrophobicContact CB-CE1 4.25Å; L396-Y398 HydrophobicContact CD1-CE1 4.04Å; L396-Y398 WeakPolarHBondContact CD1-OH 3.42Å; Y398-T400 PolarHBondContact O-N 2.82Å; Y398-T400 PolarHBondContact O-OG1 3.23Å
399R58.1Low71.8Confident191 Ų191100.9 Ų100.972%0.72156%0.558SS**  trans-76.773.8163.2-83.3-70-174159.2-6.3109.4S397 G401 Q402S397-R399 PolarHBondContact O-N 3.38Å; R399-G401 PolarHBondContact O-N 2.95Å; R399-Q402 HydrophobicContact CB-CG 4.39Å
400T62Low71.5Confident113 Ų113100.2 Ų100.269%0.69355%0.547SS*.THydrogen-bonded Turntrans-52.9134.5-175.2-46.80000112.2Y398 Q402Y398-T400 PolarHBondContact O-N 2.82Å; Y398-T400 PolarHBondContact O-OG1 3.23Å; T400-Q402 VanDerWaalsContact C-N 3.3Å; T400-Q402 PolarHBondContact O-N 3.02Å; T400-Q402 VanDerWaalsContact O-N 3.17Å
401G60.6Low71.7Confident42 Ų42100.6 Ų100.643%0.43354%0.544SS..THydrogen-bonded Turntrans72.90.4166.800000117.8R399 D403R399-G401 PolarHBondContact O-N 2.95Å; G401-D403 VanDerWaalsContact C-N 3.33Å; G401-D403 PolarHBondContact O-N 3.45Å
402Q65.4Low72.1Confident137 Ų137104.1 Ų104.164%0.6456%0.562SS**SBendtrans-74.9-13.1-172.1-62.6-153.3-68.300115.8R399 T400R399-Q402 HydrophobicContact CB-CG 4.39Å; T400-Q402 VanDerWaalsContact C-N 3.3Å; T400-Q402 PolarHBondContact O-N 3.02Å; T400-Q402 VanDerWaalsContact O-N 3.17Å
403D61.5Low72.6Confident75 Ų7598.7 Ų98.740%0.40154%0.543SS..  trans-132.581.9-177.6-164.7-16000112G401 A405 N406 C407G401-D403 VanDerWaalsContact C-N 3.33Å; G401-D403 PolarHBondContact O-N 3.45Å; D403-A405 PolarHBondContact OD1-N 3.2Å; D403-A405 VanDerWaalsContact OD1-N 3.15Å; D403-N406 VanDerWaalsContact CG-CB 3.49Å; D403-N406 VanDerWaalsContact OD1-CB 3.3Å; D403-N406 WeakPolarHBondContact OD1-CB 3.26Å; D403-N406 PolarHBondContact OD1-N 2.89Å; D403-N406 WeakPolarHBondContact OD2-CB 3.39Å; D403-C407 VanDerWaalsContact O-CB 3.28Å; D403-C407 WeakPolarHBondContact O-CB 3.36Å; D403-C407 PolarHBondContact O-N 3.35Å
404T71.8Confident72.9Confident75 Ų7590.9 Ų90.946%0.4652%0.517SS..THydrogen-bonded Turntrans-76.8-8.4172.850.90000113.4C410 R411 A414T404-C410 HydrophobicContact CG2-CB 4.42Å; T404-R411 WeakPolarHBondContact O-CB 3.19Å; T404-A414 HydrophobicContact CG2-CB 4.15Å
405A74.4Confident73.3Confident90 Ų9088.8 Ų88.874%0.74452%0.515SS*.THydrogen-bonded Turntrans-88-38.5-179.900000112.2D403D403-A405 PolarHBondContact OD1-N 3.2Å; D403-A405 VanDerWaalsContact OD1-N 3.15Å
406N72.1Confident74.1Confident140 Ų14090.6 Ų90.675%0.74951%0.507SS*.THydrogen-bonded Turntrans-113-7.1-170.5-15328.8000113.9D403D403-N406 VanDerWaalsContact CG-CB 3.49Å; D403-N406 VanDerWaalsContact OD1-CB 3.3Å; D403-N406 WeakPolarHBondContact OD1-CB 3.26Å; D403-N406 PolarHBondContact OD1-N 2.89Å; D403-N406 WeakPolarHBondContact OD2-CB 3.39Å
407C77.8Confident75.3Confident44 Ų4491.4 Ų91.430%0.29751%0.51SS..  trans-114.8108.3174.9-177.10000111.2D403 T409 C410 R411D403-C407 VanDerWaalsContact O-CB 3.28Å; D403-C407 WeakPolarHBondContact O-CB 3.36Å; D403-C407 PolarHBondContact O-N 3.35Å; C407-T409 PolarHBondContact O-N 2.87Å; C407-C410 HydrophobicContact CB-CB 3.98Å; C407-C410 PolarHBondContact O-N 3.02Å; C407-C410 VanDerWaalsContact O-N 3.08Å; C407-C410 VanDerWaalsContact SG-SG 3.66Å; C407-R411 PolarHBondContact O-N 3.37Å
408D81Confident76.8Confident95 Ų9593.6 Ų93.651%0.50850%0.503SS..Hα-helixtrans-55.2-35.9176.6-73.2-63.7000112.6R411 N412D408-R411 PolarHBondContact O-N 3.47Å; D408-R411 IonicContact OD1-CZ 3.29Å; D408-R411 IonicContact OD1-NH1 2.71Å; D408-R411 PolarHBondContact OD1-NH1 2.92Å; D408-R411 IonicContact OD1-NH2 3.13Å; D408-R411 PolarHBondContact OD1-NH2 2.79Å; D408-N412 VanDerWaalsContact O-CB 3.27Å; D408-N412 WeakPolarHBondContact O-CB 3.28Å; D408-N412 PolarHBondContact O-N 3.17Å; D408-N412 PolarHBondContact O-ND2 2.93Å; D408-N412 PolarHBondContact O-OD1 2.84Å
409T83.9Confident78.3Confident107 Ų10789.1 Ų89.166%0.65649%0.49SS*.Hα-helixtrans-63.3-46.3176.3-50.50000111.5C407 N412 S413C407-T409 PolarHBondContact O-N 2.87Å; T409-N412 PolarHBondContact O-N 2.87Å; T409-S413 PolarHBondContact O-N 3.05Å; T409-S413 PolarHBondContact O-OG 2.9Å
410C81.1Confident80Confident27 Ų2783.3 Ų83.318%0.18248%0.475CS..Hα-helixtrans-69.4-35.3178.8-64.50000112.2T404 C407 S413 A414T404-C410 HydrophobicContact CG2-CB 4.42Å; C407-C410 HydrophobicContact CB-CB 3.98Å; C407-C410 PolarHBondContact O-N 3.02Å; C407-C410 VanDerWaalsContact O-N 3.08Å; C407-C410 VanDerWaalsContact SG-SG 3.66Å; C410-S413 WeakPolarHBondContact CA-OG 3.26Å; C410-S413 PolarHBondContact O-OG 3.27Å; C410-A414 WeakPolarHBondContact O-CB 3.43Å; C410-A414 PolarHBondContact O-N 2.97Å
411R86.9Confident81.5Confident103 Ų10383.3 Ų83.339%0.38947%0.468SS..Hα-helixtrans-63.8-47.4171.9-164.5-175.466.9-116.5-14.4111T404 C407 D408 S413 A414 C415T404-R411 WeakPolarHBondContact O-CB 3.19Å; C407-R411 PolarHBondContact O-N 3.37Å; D408-R411 PolarHBondContact O-N 3.47Å; D408-R411 IonicContact OD1-CZ 3.29Å; D408-R411 IonicContact OD1-NH1 2.71Å; D408-R411 PolarHBondContact OD1-NH1 2.92Å; D408-R411 IonicContact OD1-NH2 3.13Å; D408-R411 PolarHBondContact OD1-NH2 2.79Å; R411-S413 PolarHBondContact O-N 2.87Å; R411-A414 PolarHBondContact O-N 2.84Å; R411-C415 PolarHBondContact O-N 2.97Å; R411-C415 PolarHBondContact O-SG 3.46Å
412N86.9Confident83Confident83 Ų8385.6 Ų85.644%0.44447%0.47SS..Hα-helixtrans-64-40.8-179.8-67.8-11.5000111.8D408 T409 C415 I416D408-N412 VanDerWaalsContact O-CB 3.27Å; D408-N412 WeakPolarHBondContact O-CB 3.28Å; D408-N412 PolarHBondContact O-N 3.17Å; D408-N412 PolarHBondContact O-ND2 2.93Å; D408-N412 PolarHBondContact O-OD1 2.84Å; T409-N412 PolarHBondContact O-N 2.87Å; N412-C415 PolarHBondContact O-N 3.24Å; N412-I416 WeakPolarHBondContact O-CG1 3.34Å; N412-I416 PolarHBondContact O-N 3.15Å
413S87.3Confident84.3Confident55 Ų5581.6 Ų81.639%0.38545%0.452SS..Hα-helixtrans-64.6-39.8173.657.30000112.3T409 C410 R411 I416 I417T409-S413 PolarHBondContact O-N 3.05Å; T409-S413 PolarHBondContact O-OG 2.9Å; C410-S413 WeakPolarHBondContact CA-OG 3.26Å; C410-S413 PolarHBondContact O-OG 3.27Å; R411-S413 PolarHBondContact O-N 2.87Å; S413-I416 PolarHBondContact O-N 2.98Å; S413-I417 WeakPolarHBondContact O-CD1 3.34Å; S413-I417 VanDerWaalsContact O-CG1 3.29Å; S413-I417 WeakPolarHBondContact O-CG1 3.45Å; S413-I417 PolarHBondContact O-N 2.82Å
414A86.6Confident85.8Confident19 Ų1983.7 Ų83.716%0.15746%0.458CS..Hα-helixtrans-63.7-43175.200000111.9T404 C410 R411 I416 I417 Y418T404-A414 HydrophobicContact CG2-CB 4.15Å; C410-A414 WeakPolarHBondContact O-CB 3.43Å; C410-A414 PolarHBondContact O-N 2.97Å; R411-A414 PolarHBondContact O-N 2.84Å; A414-I416 VanDerWaalsContact C-N 3.32Å; A414-I416 PolarHBondContact O-N 2.97Å; A414-I417 PolarHBondContact O-N 3.24Å; A414-Y418 HydrophobicContact CB-CD2 4.43Å; A414-Y418 HydrophobicContact CB-CE2 4.21Å; A414-Y418 WeakPolarHBondContact O-CD2 3.46Å; A414-Y418 PolarHBondContact O-N 3.48Å
415C88.2Confident86.9Confident74 Ų7484.8 Ų84.850%0.546%0.457SS..Hα-helixtrans-59.8-40.2174.5-67.40000112.5R411 N412 S419R411-C415 PolarHBondContact O-N 2.97Å; R411-C415 PolarHBondContact O-SG 3.46Å; N412-C415 PolarHBondContact O-N 3.24Å; C415-S419 WeakPolarHBondContact O-CB 3.22Å; C415-S419 PolarHBondContact O-N 3.17Å; C415-S419 PolarHBondContact O-OG 3.07Å
416I89.7Confident87.7Confident110 Ų11084.3 Ų84.356%0.56444%0.439SS*.Hα-helixtrans-63.3-50175.3-68.1163.9000110.2N412 S413 A414 Y418 S419 V420N412-I416 WeakPolarHBondContact O-CG1 3.34Å; N412-I416 PolarHBondContact O-N 3.15Å; S413-I416 PolarHBondContact O-N 2.98Å; A414-I416 VanDerWaalsContact C-N 3.32Å; A414-I416 PolarHBondContact O-N 2.97Å; I416-Y418 PolarHBondContact O-N 3.22Å; I416-S419 PolarHBondContact O-N 3.11Å; I416-S419 PolarHBondContact O-OG 2.98Å; I416-V420 WeakPolarHBondContact O-CG2 3.41Å; I416-V420 PolarHBondContact O-N 2.85Å
417I89.3Confident88.6Confident105 Ų10582.6 Ų82.654%0.53843%0.427SS..Hα-helixtrans-55.7-53.2178.9-68.3161.8000110.6S413 A414 S419 V420 E421S413-I417 WeakPolarHBondContact O-CD1 3.34Å; S413-I417 VanDerWaalsContact O-CG1 3.29Å; S413-I417 WeakPolarHBondContact O-CG1 3.45Å; S413-I417 PolarHBondContact O-N 2.82Å; A414-I417 PolarHBondContact O-N 3.24Å; I417-S419 VanDerWaalsContact C-N 3.3Å; I417-S419 PolarHBondContact O-N 3.08Å; I417-V420 PolarHBondContact O-N 2.97Å; I417-E421 WeakPolarHBondContact O-CB 3.06Å; I417-E421 PolarHBondContact O-N 2.67Å
418Y91.1Very high89.1Confident155 Ų15585.3 Ų85.361%0.60844%0.435SS*.Hα-helixtrans-64.4-31.3-179.9-67.9-51.4000113.5A414 I416 E421 L422A414-Y418 HydrophobicContact CB-CD2 4.43Å; A414-Y418 HydrophobicContact CB-CE2 4.21Å; A414-Y418 WeakPolarHBondContact O-CD2 3.46Å; A414-Y418 PolarHBondContact O-N 3.48Å; I416-Y418 PolarHBondContact O-N 3.22Å; Y418-E421 WeakPolarHBondContact CD1-OE2 3.33Å; Y418-L422 WeakPolarHBondContact O-CB 3.27Å; Y418-L422 PolarHBondContact O-N 2.66Å
419S89.4Confident89.6Confident32 Ų3285.4 Ų85.422%0.22444%0.435CS..Hα-helixtrans-68.4-39.5174.767.20000112.5C415 I416 I417 D423C415-S419 WeakPolarHBondContact O-CB 3.22Å; C415-S419 PolarHBondContact O-N 3.17Å; C415-S419 PolarHBondContact O-OG 3.07Å; I416-S419 PolarHBondContact O-N 3.11Å; I416-S419 PolarHBondContact O-OG 2.98Å; I417-S419 VanDerWaalsContact C-N 3.3Å; I417-S419 PolarHBondContact O-N 3.08Å; S419-D423 PolarHBondContact O-N 3.11Å
420V93.4Very high90Very high68 Ų6887.1 Ų87.141%0.41243%0.434SS..Hα-helixtrans-72.7-40.3177.3171.90000111I416 I417 L422 D423 F424I416-V420 WeakPolarHBondContact O-CG2 3.41Å; I416-V420 PolarHBondContact O-N 2.85Å; I417-V420 PolarHBondContact O-N 2.97Å; V420-L422 VanDerWaalsContact C-N 3.33Å; V420-L422 PolarHBondContact O-N 3.24Å; V420-D423 PolarHBondContact O-N 2.94Å; V420-F424 HydrophobicContact CG1-CD2 3.7Å; V420-F424 HydrophobicContact CG1-CE2 3.47Å; V420-F424 VanDerWaalsContact CG1-CE2 3.47Å; V420-F424 WeakPolarHBondContact O-CD2 3.41Å; V420-F424 PolarHBondContact O-N 3.26Å
421E92.8Very high90.3Very high113 Ų11390.2 Ų90.253%0.52845%0.448SS..Hα-helixtrans-61-40.3173.7-173.3178.9-175.600111.8I417 Y418 F424 K425I417-E421 WeakPolarHBondContact O-CB 3.06Å; I417-E421 PolarHBondContact O-N 2.67Å; Y418-E421 WeakPolarHBondContact CD1-OE2 3.33Å; E421-F424 PolarHBondContact O-N 3.41Å; E421-K425 WeakPolarHBondContact O-CB 3.44Å; E421-K425 PolarHBondContact O-N 2.96Å
422L92Very high90.4Very high91 Ų9190.3 Ų90.348%0.47645%0.453SS..Hα-helixtrans-70.3-37175.6-178.261.8000112.8Y418 V420 K425 Q426Y418-L422 WeakPolarHBondContact O-CB 3.27Å; Y418-L422 PolarHBondContact O-N 2.66Å; V420-L422 VanDerWaalsContact C-N 3.33Å; V420-L422 PolarHBondContact O-N 3.24Å; L422-K425 PolarHBondContact O-N 3.06Å; L422-Q426 WeakPolarHBondContact O-CB 3.38Å; L422-Q426 WeakPolarHBondContact O-CG 3.47Å; L422-Q426 PolarHBondContact O-N 2.8Å; L422-Q426 PolarHBondContact O-NE2 3.47Å
423D93.4Very high90.4Very high52 Ų5289.5 Ų89.528%0.27845%0.452SS..Hα-helixtrans-66.4-41.2173.6-863.6000111.2S108 S419 V420 Q426 Q427S108-D423 WeakPolarHBondContact CB-OD2 3.43Å; S108-D423 PolarHBondContact OG-OD2 3.4Å; S419-D423 PolarHBondContact O-N 3.11Å; V420-D423 PolarHBondContact O-N 2.94Å; D423-Q426 PolarHBondContact O-N 3.46Å; D423-Q427 WeakPolarHBondContact O-CG 3.46Å; D423-Q427 PolarHBondContact O-N 3.34Å; D423-Q427 VanDerWaalsContact O-N 3.13Å
424F92.9Very high90.3Very high120 Ų12090.3 Ų90.353%0.52645%0.454SS..Hα-helixtrans-63.3-45.6171.8-80-57.1000112V420 E421 Q426 Q427 E428V420-F424 HydrophobicContact CG1-CD2 3.7Å; V420-F424 HydrophobicContact CG1-CE2 3.47Å; V420-F424 VanDerWaalsContact CG1-CE2 3.47Å; V420-F424 WeakPolarHBondContact O-CD2 3.41Å; V420-F424 PolarHBondContact O-N 3.26Å; E421-F424 PolarHBondContact O-N 3.41Å; F424-Q426 VanDerWaalsContact C-N 3.3Å; F424-Q426 PolarHBondContact O-N 3.11Å; F424-Q427 WeakPolarHBondContact O-CA 3.09Å; F424-Q427 WeakPolarHBondContact O-CB 3.39Å; F424-Q427 PolarHBondContact O-N 3.14Å; F424-E428 PolarHBondContact O-N 3.26Å
425K93.6Very high90.1Very high98 Ų9893.4 Ų93.443%0.42647%0.468SS..Hα-helixtrans-57.6-43.4176.5-173.65557.2-168.70111.7E421 L422 Q427 E428 D429E421-K425 WeakPolarHBondContact O-CB 3.44Å; E421-K425 PolarHBondContact O-N 2.96Å; L422-K425 PolarHBondContact O-N 3.06Å; K425-Q427 VanDerWaalsContact C-N 3.25Å; K425-Q427 PolarHBondContact O-N 3.15Å; K425-E428 WeakPolarHBondContact CE-OE2 3.31Å; K425-E428 IonicContact NZ-OE2 3.64Å; K425-E428 PolarHBondContact NZ-OE2 3.06Å; K425-E428 PolarHBondContact O-N 3.16Å; K425-D429 WeakPolarHBondContact O-CB 3.46Å; K425-D429 PolarHBondContact O-N 3.22Å
426Q92.2Very high89.9Confident79 Ų7997.5 Ų97.537%0.36947%0.473SS..Hα-helixtrans-66-21.4174.2-76.9177.875.400114.5L422 D423 F424 K430L422-Q426 WeakPolarHBondContact O-CB 3.38Å; L422-Q426 WeakPolarHBondContact O-CG 3.47Å; L422-Q426 PolarHBondContact O-N 2.8Å; L422-Q426 PolarHBondContact O-NE2 3.47Å; D423-Q426 PolarHBondContact O-N 3.46Å; F424-Q426 VanDerWaalsContact C-N 3.3Å; F424-Q426 PolarHBondContact O-N 3.11Å; Q426-K430 WeakPolarHBondContact O-CD 3.27Å; Q426-K430 VanDerWaalsContact O-CE 3.23Å; Q426-K430 WeakPolarHBondContact O-CE 3.38Å; Q426-K430 VanDerWaalsContact O-CG 3.23Å; Q426-K430 WeakPolarHBondContact O-CG 3.46Å
427Q90.7Very high89.4Confident105 Ų105100.1 Ų100.149%0.49148%0.48SS..Hα-helixtrans-81.3-44.1172.3-70.3171.722.400110.5D423 F424 K425 D429 K430 L431D423-Q427 WeakPolarHBondContact O-CG 3.46Å; D423-Q427 PolarHBondContact O-N 3.34Å; D423-Q427 VanDerWaalsContact O-N 3.13Å; F424-Q427 WeakPolarHBondContact O-CA 3.09Å; F424-Q427 WeakPolarHBondContact O-CB 3.39Å; F424-Q427 PolarHBondContact O-N 3.14Å; K425-Q427 VanDerWaalsContact C-N 3.25Å; K425-Q427 PolarHBondContact O-N 3.15Å; Q427-D429 PolarHBondContact O-N 3.26Å; Q427-K430 PolarHBondContact O-N 3.26Å; Q427-L431 WeakPolarHBondContact O-CB 3.42Å; Q427-L431 PolarHBondContact O-N 2.83Å
428E89.2Confident88.6Confident101 Ų101101.1 Ų101.147%0.47249%0.486SS..Hα-helixtrans-57.5-46.5172.3-69.3178.4174.400111.9F424 K425 K430 L431 Q432F424-E428 PolarHBondContact O-N 3.26Å; K425-E428 WeakPolarHBondContact CE-OE2 3.31Å; K425-E428 IonicContact NZ-OE2 3.64Å; K425-E428 PolarHBondContact NZ-OE2 3.06Å; K425-E428 PolarHBondContact O-N 3.16Å; E428-K430 PolarHBondContact O-N 3.22Å; E428-L431 CarbonylContact O-C 3.31Å; E428-L431 PolarHBondContact O-N 2.96Å; E428-Q432 WeakPolarHBondContact O-CB 3.45Å; E428-Q432 WeakPolarHBondContact O-CG 3.46Å; E428-Q432 PolarHBondContact O-N 3.47Å
429D91.9Very high87Confident96 Ų96100.4 Ų100.451%0.51349%0.488SS..Hα-helixtrans-64.9-23.2-179.9-69.6-22.9000113K425 Q427 P433K425-D429 WeakPolarHBondContact O-CB 3.46Å; K425-D429 PolarHBondContact O-N 3.22Å; Q427-D429 PolarHBondContact O-N 3.26Å; D429-P433 WeakPolarHBondContact O-CD 3.38Å
430K91.8Very high85.2Confident143 Ų143103 Ų10362%0.62250%0.504SS*.Hα-helixtrans-84.7-29.7172.8-70166-165.3158.20112.3Q426 Q427 E428Q426-K430 WeakPolarHBondContact O-CD 3.27Å; Q426-K430 VanDerWaalsContact O-CE 3.23Å; Q426-K430 WeakPolarHBondContact O-CE 3.38Å; Q426-K430 VanDerWaalsContact O-CG 3.23Å; Q426-K430 WeakPolarHBondContact O-CG 3.46Å; Q427-K430 PolarHBondContact O-N 3.26Å; E428-K430 PolarHBondContact O-N 3.22Å
431L87.1Confident83.1Confident93 Ų93107.4 Ų107.449%0.48752%0.524SS..Hα-helixtrans-81.2-33.2177.6-174.159.8000112.2Q427 E428 V434 L435Q427-L431 WeakPolarHBondContact O-CB 3.42Å; Q427-L431 PolarHBondContact O-N 2.83Å; E428-L431 CarbonylContact O-C 3.31Å; E428-L431 PolarHBondContact O-N 2.96Å; L431-V434 HydrophobicContact CD1-CB 4.44Å; L431-V434 WeakPolarHBondContact O-CA 3.47Å; L431-V434 WeakPolarHBondContact O-CB 3.36Å; L431-V434 PolarHBondContact O-N 2.98Å; L431-L435 HydrophobicContact CD1-CG 4.41Å; L431-L435 HydrophobicContact CD2-CD1 4.32Å; L431-L435 HydrophobicContact CG-CD1 3.95Å; L431-L435 HydrophobicContact CG-CG 4.04Å; L431-L435 PolarHBondContact O-N 3.31Å
432Q87.8Confident81Confident105 Ų105110.1 Ų110.149%0.49154%0.536SS..Hα-helixtrans-48.1-51.7176.9-89.8-84.1-8.800113.2E428 V434 L435 R436E428-Q432 WeakPolarHBondContact O-CB 3.45Å; E428-Q432 WeakPolarHBondContact O-CG 3.46Å; E428-Q432 PolarHBondContact O-N 3.47Å; Q432-V434 PolarHBondContact O-N 2.94Å; Q432-L435 PolarHBondContact O-N 2.94Å; Q432-R436 WeakPolarHBondContact O-CB 3.45Å; Q432-R436 WeakPolarHBondContact O-CG 3.2Å; Q432-R436 PolarHBondContact O-N 3.5Å
433P87.1Confident79Confident66 Ų66113.5 Ų113.543%0.42955%0.55SS..Hα-helixtrans-63.4-23.5174.8-24.834.6000115D429 K437D429-P433 WeakPolarHBondContact O-CD 3.38Å; P433-K437 WeakPolarHBondContact O-CD 3.3Å; P433-K437 WeakPolarHBondContact O-CG 3.44Å; P433-K437 PolarHBondContact O-N 3.42Å
434V87Confident76.9Confident71 Ų71116.3 Ų116.343%0.4357%0.569SS.*Hα-helixtrans-80-47.2176-175.60000109.6L431 Q432 R436 K437 L438L431-V434 HydrophobicContact CD1-CB 4.44Å; L431-V434 WeakPolarHBondContact O-CA 3.47Å; L431-V434 WeakPolarHBondContact O-CB 3.36Å; L431-V434 PolarHBondContact O-N 2.98Å; Q432-V434 PolarHBondContact O-N 2.94Å; V434-R436 VanDerWaalsContact C-N 3.32Å; V434-R436 PolarHBondContact O-N 2.95Å; V434-K437 CarbonylContact O-C 3.57Å; V434-K437 WeakPolarHBondContact O-CA 3.4Å; V434-K437 WeakPolarHBondContact O-CB 3.48Å; V434-K437 PolarHBondContact O-N 3.44Å; V434-L438 HydrophobicContact CG1-CD1 4.08Å; V434-L438 HydrophobicContact CG1-CG 4.48Å; V434-L438 WeakPolarHBondContact O-CG 3.45Å; V434-L438 PolarHBondContact O-N 2.83Å
435L80.6Confident74.7Confident85 Ų85119.4 Ų119.445%0.44559%0.585SS.*Hα-helixtrans-58.5-43.1174.8-65.5172.5000111.7L431 Q432 K437 L438 H439L431-L435 HydrophobicContact CD1-CG 4.41Å; L431-L435 HydrophobicContact CD2-CD1 4.32Å; L431-L435 HydrophobicContact CG-CD1 3.95Å; L431-L435 HydrophobicContact CG-CG 4.04Å; L431-L435 PolarHBondContact O-N 3.31Å; Q432-L435 PolarHBondContact O-N 2.94Å; L435-K437 PolarHBondContact O-N 2.91Å; L435-L438 PolarHBondContact O-N 2.77Å; L435-L438 VanDerWaalsContact O-N 3.11Å; L435-H439 PolarHBondContact O-N 2.72Å
436R84.4Confident72Confident159 Ų159121.3 Ų121.360%0.661%0.605SS**Hα-helixtrans-63.4-23.5172.9-75.5-68.3-164.2162.83.3114.1Q432 V434 E443Q432-R436 WeakPolarHBondContact O-CB 3.45Å; Q432-R436 WeakPolarHBondContact O-CG 3.2Å; Q432-R436 PolarHBondContact O-N 3.5Å; V434-R436 VanDerWaalsContact C-N 3.32Å; V434-R436 PolarHBondContact O-N 2.95Å; R436-E443 IonicContact NH1-OE2 3.81Å
437K80.1Confident69.2Low165 Ų165124.3 Ų124.372%0.71762%0.622SS**Hα-helixtrans-88.9-17.1173.3-75.4172.2-176.2-178.10113.7P433 V434 L435 P440P433-K437 WeakPolarHBondContact O-CD 3.3Å; P433-K437 WeakPolarHBondContact O-CG 3.44Å; P433-K437 PolarHBondContact O-N 3.42Å; V434-K437 CarbonylContact O-C 3.57Å; V434-K437 WeakPolarHBondContact O-CA 3.4Å; V434-K437 WeakPolarHBondContact O-CB 3.48Å; V434-K437 PolarHBondContact O-N 3.44Å; L435-K437 PolarHBondContact O-N 2.91Å; K437-P440 WeakPolarHBondContact O-CD 3.48Å
438L72Confident66.9Low127 Ų127124.9 Ų124.967%0.66564%0.635SS**Hα-helixtrans-90.9-21.4173.2-66.7172.3000112.4V434 L435 P440V434-L438 HydrophobicContact CG1-CD1 4.08Å; V434-L438 HydrophobicContact CG1-CG 4.48Å; V434-L438 WeakPolarHBondContact O-CG 3.45Å; V434-L438 PolarHBondContact O-N 2.83Å; L435-L438 PolarHBondContact O-N 2.77Å; L435-L438 VanDerWaalsContact O-N 3.11Å; L438-P440 VanDerWaalsContact O-CD 3.28Å; L438-P440 WeakPolarHBondContact O-CD 3.23Å
439H56.8Low64.3Low140 Ų140125.3 Ų125.365%0.64865%0.648SS**  trans-110.360.9167.3-76.8-97.2000113.7L435L435-H439 PolarHBondContact O-N 2.72Å
440P52.7Low62Low87 Ų87126.2 Ų126.257%0.56566%0.659SS**  trans-73.3136.5152.333.5-27.5000108.3K437 L438K437-P440 WeakPolarHBondContact O-CD 3.48Å; L438-P440 VanDerWaalsContact O-CD 3.28Å; L438-P440 WeakPolarHBondContact O-CD 3.23Å
441I49.6Very low59Low160 Ų160129.8 Ų129.882%0.82167%0.671SS**SBendtrans73.466.6176.3-38.2163.1000115.1
442E47.7Very low56.4Low169 Ų169129 Ų12979%0.7967%0.673SS**  trans-143.725.4139.6-147.3176.1-175.200112.9
443E50Low54Low163 Ų163132.4 Ų132.476%0.76269%0.689SS**SBendtrans-107.432.7177.3-154.5159-14500110.6R436R436-E443 IonicContact NH1-OE2 3.81Å
444T49.4Very low51.3Low111 Ų111137.6 Ų137.668%0.68171%0.707SS**SBendtrans-138.4110.6-178.1-65.10000110.2
445Q46.9Very low48.6Very low185 Ų185139.5 Ų139.586%0.86472%0.719SS**  trans7355.6179.1-55.6-172.7100.800117.7
446V36.2Very low46.5Very low138 Ų138146.9 Ų146.984%0.83674%0.743SS**  trans-88.2118.8137.9-179.90000107.6
447I34.3Very low44Very low142 Ų142144.2 Ų144.273%0.72875%0.749SS**  trans-66.5134.9179.8-64.2169000109.2S449I447-S449 PolarHBondContact O-N 3.5Å; I447-S449 VanDerWaalsContact O-N 3.09Å
448P41.6Very low41.7Very low117 Ų117141.4 Ų141.476%0.7675%0.75SS**  trans-60.6114.4172.9-21.833000110.7P450P448-P450 WeakPolarHBondContact O-CD 3.33Å
449S35.9Very low40Very low109 Ų109141.7 Ų141.776%0.76276%0.757SS**  trans-61.2124.2175.2-176.10000109.8I447I447-S449 PolarHBondContact O-N 3.5Å; I447-S449 VanDerWaalsContact O-N 3.09Å
450P42.2Very low38.9Very low115 Ų115140.9 Ų140.975%0.74776%0.764SS**  trans-74143.9176.930.8-33.9000110.7P448P448-P450 WeakPolarHBondContact O-CD 3.33Å
451Y30.4Very low38.1Very low219 Ų219146.2 Ų146.286%0.85978%0.778SS**  trans68.3147.1176.4-117.8-114.8000115.5
452S31.7Very low37.3Very low75 Ų75146.5 Ų146.552%0.52478%0.776SS.*  cis-119.2144.33.9-1700000112.7
453Q37.8Very low36.6Very low178 Ų178146.6 Ų146.683%0.83277%0.774SS**  trans-113.578.9175.5-172.9-177.7-0.500109.8T455Q453-T455 VanDerWaalsContact C-N 3.29Å; Q453-T455 PolarHBondContact O-N 2.67Å
454E29.8Very low36.1Very low174 Ų174143.7 Ų143.781%0.81377%0.772SS**  trans-75.477.1179.8-75.9-91.3115.800112.1
455T30.9Very low35.4Very low111 Ų111148 Ų14868%0.68178%0.781SS**  trans19.1116.5143.7-550000119Q453 S457Q453-T455 VanDerWaalsContact C-N 3.29Å; Q453-T455 PolarHBondContact O-N 2.67Å; T455-S457 PolarHBondContact O-N 3.18Å
456Y37Very low34.8Very low241 Ų241145.2 Ų145.295%0.94578%0.777SS**  trans-71.1103.1161.5-84.6-96.8000112.1
457S30.7Very low35Very low103 Ų103147.6 Ų147.672%0.7278%0.779SS**  trans-166.8144.3162-151.70000109.1T455T455-S457 PolarHBondContact O-N 3.18Å
458S32.2Very low35.3Very low106 Ų106145.7 Ų145.774%0.74178%0.778SS**  cis-153.5167.1-1-121.40000110.6
459T36.8Very low35.6Very low132 Ų132150 Ų15081%0.8179%0.785SS**  trans-82141.8179.858.90000113.6
460P32.7Very low36Very low124 Ų124154.6 Ų154.681%0.80579%0.791SS**  trans-110114.5152.730.7-19.4000111.6
461K35.4Very low35.8Very low199 Ų199157.9 Ų157.987%0.86580%0.796SS**  trans-75.7122.3165.9-77.4179176.4173.80109.8
462Q32.9Very low36.2Very low165 Ų165150 Ų15077%0.77178%0.782SS**  trans-154.9120139-82.5-133.529.100114.1
463K32.9Very low36.6Very low172 Ų172157.6 Ų157.675%0.74880%0.799SS**  trans48.393.3137-60-174.2-177.6174.60121.7
464S39.8Very low36.7Very low102 Ų102160.5 Ų160.571%0.71380%0.802SS**  62.1138.6116.768.90000123.2
465K35.3Very low37.4Very low200 Ų200160.4 Ų160.487%0.8780%0.799SS**  trans74.2142.8172.4-52.7-175.4179.2-177.90113.8
466T34.2Very low37.7Very low128 Ų128162.3 Ų162.379%0.78581%0.805SS**  cis-132.3159.64.3-48.40000110.7
467E40Very low38.1Very low187 Ų187161.5 Ų161.587%0.87480%0.8SS**  trans-53.9135.3170.4-176.7-176.2126.400112.7
468S41.5Very low38.3Very low102 Ų102165.5 Ų165.571%0.71381%0.805SS**  trans-149.714216051.90000110.9K470S468-K470 PolarHBondContact O-N 3.5Å; S468-K470 VanDerWaalsContact O-N 3.13Å
469K47.9Very low38.3Very low209 Ų209171.8 Ų171.891%0.90983%0.829SS**  trans-76.899.2-161.8-168.1168.7-177171.30111.6H471K469-H471 PolarHBondContact O-N 3.42Å
470K43.6Very low38.4Very low204 Ų204173.8 Ų173.889%0.88783%0.83SS**  trans-60.9108.9177.9-70.5-176179.8178.80111S468 G472S468-K470 PolarHBondContact O-N 3.5Å; S468-K470 VanDerWaalsContact O-N 3.13Å; K470-G472 PolarHBondContact O-N 3.17Å
471H38.5Very low38.7Very low185 Ų185176.4 Ų176.486%0.85683%0.831SS**  trans-63.4126.1162-137.2-77.5000108.1K469 R473K469-H471 PolarHBondContact O-N 3.42Å; H471-R473 PolarHBondContact O-N 2.9Å
472G37.7Very low38.9Very low54 Ų54175.1 Ų175.156%0.55783%0.829SS**  trans-62.7105.6177.200000110.1K470 W474K470-G472 PolarHBondContact O-N 3.17Å; G472-W474 PolarHBondContact O-N 2.75Å; G472-W474 VanDerWaalsContact O-N 3.07Å
473R42Very low39.3Very low234 Ų234175.7 Ų175.788%0.88383%0.832SS**  trans-7593.5168.6-178.6-175.3-73.8-123.63107.2H471 K475H471-R473 PolarHBondContact O-N 2.9Å; R473-K475 PolarHBondContact O-N 2.83Å; R473-K475 VanDerWaalsContact O-N 3.12Å
474W38.3Very low39.7Very low238 Ų238175.9 Ų175.990%0.90284%0.838SS**PPolyproline II helixtrans-55.5117169.6-69.770.2000107.9G472 L476G472-W474 PolarHBondContact O-N 2.75Å; G472-W474 VanDerWaalsContact O-N 3.07Å; W474-L476 PolarHBondContact O-N 2.92Å
475K44.2Very low39.6Very low173 Ų173180.9 Ų180.975%0.75285%0.846SS**PPolyproline II helixtrans-73.1120.4165.6-72.7-169.3175.3-171.70106.6R473 W477R473-K475 PolarHBondContact O-N 2.83Å; R473-K475 VanDerWaalsContact O-N 3.12Å; K475-W477 PolarHBondContact O-N 3.05Å
476L38.6Very low40Very low151 Ų151179.5 Ų179.579%0.79184%0.844SS**PPolyproline II helixtrans-66.1123.3163.2-70.6166000106.9W474 F478W474-L476 PolarHBondContact O-N 2.92Å; L476-F478 HydrophobicContact CB-CD2 4.23Å; L476-F478 PolarHBondContact O-N 3.19Å
477W44.9Very low40.4Very low224 Ų224183.5 Ų183.585%0.84885%0.849SS**  trans-85.5100.9171-69.690.2000107.7K475K475-W477 PolarHBondContact O-N 3.05Å
478F34Very low40.4Very low186 Ų186183.2 Ų183.282%0.81685%0.847SS**  trans-131133.9159.6-74-77.2000107.2L476L476-F478 HydrophobicContact CB-CD2 4.23Å; L476-F478 PolarHBondContact O-N 3.19Å
479L34.1Very low40.3Very low238 Ų238190.5 Ų190.5100%1.24686%0.859SS**  trans-121.20171.9-115.3151.8000105.8

Retrieved 479 of 479 residues in 286.3 ms (Link to these results)