A0A087WQW4_MOUSE Loading...

Phosphatidylinositol-4-phosphate 3-kinase catalytic subunit type 2 gamma

AlphaFold DB , UniProt , Accession A0A087WQW4, Species MOUSE (Mus musculus, Mouse), Gene Pik3c2g, Length 402 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
1M33.9Very low30.9Very low239 Ų239165.4 Ų165.4100%1.17781%0.809SS**  095.90-59.9-176-81.200105
2A25.8Very low30.8Very low79 Ų79163.1 Ų163.165%0.65381%0.812SS**  65.2128.166.500000110.3
3Y29.3Very low30.7Very low212 Ų212163 Ų16383%0.83181%0.808SS**  cis-142.2136.619.2-79.2-89.8000109.2
4S29.7Very low31Very low85 Ų85160.6 Ų160.659%0.59481%0.81SS**  51.3128.58682.60000117.9
5W29Very low30.8Very low262 Ų262160.8 Ų160.899%0.99281%0.807SS**  trans-136.4142.9142.9-8389.7000109.1
6Q29.8Very low30.7Very low167 Ų167161.8 Ų161.878%0.7881%0.808SS**  trans-98.6147.9-173.3-76.1174.3-21.400109.9
7T30.5Very low30.5Very low119 Ų119161.5 Ų161.573%0.7381%0.81SS**  64.7116.861.9-43.70000110.5
8E28.8Very low30.3Very low166 Ų166156.4 Ų156.478%0.77681%0.805SS**  cis-164.1-156.25.7-129.1-168-8600107.9
9P48.2Very low30.1Very low94 Ų94153.8 Ų153.861%0.6180%0.802SS**  cis-134.7173.9-16.236.8-17.7000116
10N27Very low29.9Very low163 Ų163154.7 Ų154.787%0.87281%0.808SS**  -164.2123.1122.9-109.8-27.3000113.1
11R28Very low29.9Very low233 Ų233153 Ų15388%0.87981%0.805SS**  trans-82.5150.1169.7-104.1176.4161.9-177.8-6.4110.2
12T29.2Very low29.6Very low138 Ų138149 Ų14985%0.84778%0.783SS**  -179.2114.3117.5-68.50000108.5
13E29.6Very low29.6Very low162 Ų162152.3 Ų152.376%0.75779%0.785SS**  trans-80.9169.1164.7-63.7176.5143.500109.8
14P34.8Very low29.4Very low129 Ų129149.4 Ų149.484%0.83878%0.777SS**  -130.8160.398.335.1-26.2000115.3
15Q28.3Very low29.3Very low164 Ų164152.9 Ų152.977%0.76678%0.783SS**  trans-70.8-175.9178.3-85.6-173.8-98.700114.7
16E28.6Very low29.2Very low176 Ų176148.6 Ų148.682%0.82277%0.774SS**  trans97.1124.7163.7-62.7-178.3177.100114.3
17D27.6Very low29.2Very low157 Ų157146.5 Ų146.584%0.8477%0.772SS**  cis-160173.2-4-144.7-10.2000112
18G27.4Very low29Very low71 Ų71148.5 Ų148.573%0.73278%0.779SS**  trans98.272.3158.700000117.9
19S26Very low29.1Very low107 Ų107148.6 Ų148.675%0.74878%0.779SS**  trans-91.2103.2169.458.30000112.6T21S19-T21 PolarHBondContact O-N 3.47Å
20D26.3Very low28.1Very low171 Ų171153.2 Ų153.291%0.91479%0.792SS**  trans-9291.3164.1-97.4-29.4000110.8Q22D20-Q22 PolarHBondContact O-N 3.2Å
21T29.3Very low28.3Very low120 Ų120153.3 Ų153.374%0.73679%0.792SS**  trans-84.786173.9-55.50000109.4S19 Q23S19-T21 PolarHBondContact O-N 3.47Å; T21-Q23 PolarHBondContact O-N 2.96Å
22Q28.9Very low28.4Very low154 Ų154147.7 Ų147.772%0.7279%0.788SS**  trans-74.594.7176.8-154.6170.53800110.7D20 F24D20-Q22 PolarHBondContact O-N 3.2Å; Q22-F24 HydrophobicContact CB-CE2 4.11Å; Q22-F24 HydrophobicContact CG-CE2 3.95Å; Q22-F24 HydrophobicContact CG-CZ 4.09Å; Q22-F24 WeakPolarHBondContact O-CD2 3.36Å; Q22-F24 PolarHBondContact O-N 3.04Å
23Q25.6Very low29.2Very low149 Ų149146.3 Ų146.370%0.69679%0.785SS**  trans-76.587.7-174-164.8172.52500111.1T21 H25T21-Q23 PolarHBondContact O-N 2.96Å; Q23-H25 PolarHBondContact O-N 3.06Å
24F26.1Very low29.5Very low151 Ų151144.3 Ų144.366%0.66279%0.788SS**  trans-70.6102.5174.9-73.4-79000111.3Q22 H26Q22-F24 HydrophobicContact CB-CE2 4.11Å; Q22-F24 HydrophobicContact CG-CE2 3.95Å; Q22-F24 HydrophobicContact CG-CZ 4.09Å; Q22-F24 WeakPolarHBondContact O-CD2 3.36Å; Q22-F24 PolarHBondContact O-N 3.04Å; F24-H26 PolarHBondContact O-N 3.03Å
25H26.2Very low29.7Very low158 Ų158147 Ų14773%0.73179%0.79SS**  trans-65.895.3170.5-74-82.6000110.7Q23 T27Q23-H25 PolarHBondContact O-N 3.06Å; H25-T27 PolarHBondContact O-N 3.49Å
26H28.1Very low30.2Very low172 Ų172144.8 Ų144.880%0.79679%0.787SS**  trans-69.698.3165.2-73.6-77.8000109.9F24 N28F24-H26 PolarHBondContact O-N 3.03Å; H26-N28 PolarHBondContact O-N 2.97Å; H26-N28 VanDerWaalsContact O-N 3.08Å
27T28.1Very low30.6Very low122 Ų122146 Ų14675%0.74878%0.784SS**  trans-62.6106.116431.30000109.2H25 Q29H25-T27 PolarHBondContact O-N 3.49Å; T27-Q29 VanDerWaalsContact C-N 3.3Å; T27-Q29 PolarHBondContact O-N 3.42Å
28N27.9Very low31.4Very low161 Ų161144.9 Ų144.986%0.86178%0.778SS**  trans-6389.3169.3-97.4-40.3000109.7H26 H30H26-N28 PolarHBondContact O-N 2.97Å; H26-N28 VanDerWaalsContact O-N 3.08Å; N28-H30 PolarHBondContact O-N 3.04Å
29Q29.5Very low32.1Very low168 Ų168144.6 Ų144.679%0.78578%0.775SS**  trans-72.7113.1161.1-75.3-170.6-7.300108.3T27 L31T27-Q29 VanDerWaalsContact C-N 3.3Å; T27-Q29 PolarHBondContact O-N 3.42Å; Q29-L31 PolarHBondContact O-N 2.91Å
30H28.1Very low33.2Very low192 Ų192146 Ų14689%0.88977%0.768SS**  trans-63.397.7173.8-119.5-86.7000109.3N28 S32N28-H30 PolarHBondContact O-N 3.04Å; H30-S32 PolarHBondContact O-N 3.27Å
31L31.2Very low34.8Very low164 Ų164140.3 Ų140.386%0.85974%0.737SS**PPolyproline II helixtrans-69.2117.9172.1-82.2159.5000109.1Q29Q29-L31 PolarHBondContact O-N 2.91Å
32S30.4Very low35.8Very low115 Ų115142.3 Ų142.380%0.80474%0.738SS**PPolyproline II helixtrans-63.5143.7173.2460000110.9H30H30-S32 PolarHBondContact O-N 3.27Å
33S45.8Very low37Very low110 Ų110137 Ų13777%0.76972%0.715SS**SBendtrans-67.3158.6-169.752.60000115.1
34S35Very low38.6Very low120 Ų120133.3 Ų133.384%0.83970%0.702SS**  trans96.718.4155.997.20000120.4
35Q38.6Very low40.3Very low184 Ų184131.7 Ų131.786%0.8670%0.697SS**  trans-98.5104.5172.7-146.2164.14.500112.1R37Q35-R37 PolarHBondContact O-N 3.32Å
36V38.9Very low42Very low119 Ų119127.6 Ų127.672%0.72168%0.678SS**  trans-75.7114.2172.4177.60000108.6L38V36-L38 HydrophobicContact CG1-CD2 4.29Å; V36-L38 PolarHBondContact O-N 3.28Å
37R36.6Very low43.6Very low200 Ų200120.4 Ų120.476%0.75565%0.645SS**  trans-68120.8174.9-74.9-169.5175.3-162.7-5.9110.5Q35 D41Q35-R37 PolarHBondContact O-N 3.32Å; R37-D41 VanDerWaalsContact CB-OD2 3.31Å; R37-D41 WeakPolarHBondContact CB-OD2 3.11Å
38L45Very low45Very low134 Ų134118.7 Ų118.770%0.70263%0.631SS**  trans-97.24.7-178.8-66178.7000113V36 F40V36-L38 HydrophobicContact CG1-CD2 4.29Å; V36-L38 PolarHBondContact O-N 3.28Å; L38-F40 VanDerWaalsContact C-N 3.28Å; L38-F40 HydrophobicContact CB-CD2 4.13Å; L38-F40 WeakPolarHBondContact O-CD2 3.03Å; L38-F40 PolarHBondContact O-N 3.34Å
39G43Very low46Very low66 Ų66117 Ų11768%0.6862%0.622SS**SBendtrans85.8-5.217700000114.5D41G39-D41 VanDerWaalsContact C-N 3.35Å; G39-D41 PolarHBondContact N-OD2 3.17Å
40F49.2Very low46.8Very low137 Ų137115.6 Ų115.660%0.60161%0.613SS**  trans-91.33.6171.6-57.4-76.5000112.9L38 Q42 L43 V44L38-F40 VanDerWaalsContact C-N 3.28Å; L38-F40 HydrophobicContact CB-CD2 4.13Å; L38-F40 WeakPolarHBondContact O-CD2 3.03Å; L38-F40 PolarHBondContact O-N 3.34Å; F40-Q42 VanDerWaalsContact C-N 3.32Å; F40-Q42 PolarHBondContact O-N 3.08Å; F40-L43 HydrophobicContact CD1-CD2 4.44Å; F40-L43 WeakPolarHBondContact O-CB 3.22Å; F40-L43 PolarHBondContact O-N 2.94Å; F40-V44 WeakPolarHBondContact O-CG2 3.38Å; F40-V44 PolarHBondContact O-N 3.08Å
41D59.2Low47.2Very low50 Ų50112.5 Ų112.527%0.26761%0.608SS.*Hα-helixtrans-61.9-39.2-169.4-49.7-76.7000112R37 G39 V44 E45R37-D41 VanDerWaalsContact CB-OD2 3.31Å; R37-D41 WeakPolarHBondContact CB-OD2 3.11Å; G39-D41 VanDerWaalsContact C-N 3.35Å; G39-D41 PolarHBondContact N-OD2 3.17Å; D41-V44 PolarHBondContact O-N 3.3Å; D41-E45 PolarHBondContact O-N 2.85Å
42Q50.1Low47.6Very low163 Ų163110.3 Ų110.376%0.76260%0.604SS**Hα-helixtrans-64.7-38.3174.8-175.2171.5-200112.7F40 E45 E46F40-Q42 VanDerWaalsContact C-N 3.32Å; F40-Q42 PolarHBondContact O-N 3.08Å; Q42-E45 PolarHBondContact O-N 3.08Å; Q42-E46 WeakPolarHBondContact O-CB 3.46Å; Q42-E46 PolarHBondContact O-N 2.88Å
43L54.8Low47.7Very low42 Ų42112.4 Ų112.422%0.2261%0.605CS.*Hα-helixtrans-66.8-40.3175-177.668.9000111F40 E46 I47 I255 Y259F40-L43 HydrophobicContact CD1-CD2 4.44Å; F40-L43 WeakPolarHBondContact O-CB 3.22Å; F40-L43 PolarHBondContact O-N 2.94Å; L43-E46 PolarHBondContact O-N 3.48Å; L43-I47 HydrophobicContact CD1-CD1 3.96Å; L43-I47 HydrophobicContact CG-CD1 3.78Å; L43-I47 WeakPolarHBondContact O-CB 3.48Å; L43-I47 WeakPolarHBondContact O-CD1 3.39Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.06Å; L43-I255 HydrophobicContact CD2-CD1 4.5Å; L43-Y259 HydrophobicContact CD1-CE2 3.54Å; L43-Y259 VanDerWaalsContact CD1-OH 3.28Å; L43-Y259 WeakPolarHBondContact CD1-OH 3.24Å
44V59.6Low46.9Very low72 Ų72113 Ų11344%0.43661%0.609SS.*Hα-helixtrans-64.6-42.8176.3171.80000110.9F40 D41 N48F40-V44 WeakPolarHBondContact O-CG2 3.38Å; F40-V44 PolarHBondContact O-N 3.08Å; D41-V44 PolarHBondContact O-N 3.3Å; V44-N48 WeakPolarHBondContact O-CB 3.41Å; V44-N48 PolarHBondContact O-N 3.19Å; V44-N48 VanDerWaalsContact O-N 3.12Å; V44-N48 PolarHBondContact O-ND2 3.32Å; V44-N48 PolarHBondContact O-OD1 3.11Å
45E61.4Low46.8Very low116 Ų116116 Ų11654%0.54261%0.61SS.*Hα-helixtrans-65.6-44.1174.4-73.5-173-175.100112.1D41 Q42 I47 N48 N49D41-E45 PolarHBondContact O-N 2.85Å; Q42-E45 PolarHBondContact O-N 3.08Å; E45-I47 PolarHBondContact O-N 3.16Å; E45-N48 PolarHBondContact O-N 2.81Å; E45-N49 VanDerWaalsContact O-CB 3.26Å; E45-N49 WeakPolarHBondContact O-CB 3.18Å; E45-N49 PolarHBondContact O-N 2.68Å; E45-N49 PolarHBondContact O-ND2 3.45Å
46E61Low46.3Very low72 Ų72111.9 Ų111.934%0.33660%0.602SS.*Hα-helixtrans-59.4-44.4177.8-176.3165.8-160.800112.5Q42 L43 N48 N49 K50Q42-E46 WeakPolarHBondContact O-CB 3.46Å; Q42-E46 PolarHBondContact O-N 2.88Å; L43-E46 PolarHBondContact O-N 3.48Å; E46-N48 VanDerWaalsContact C-N 3.3Å; E46-N48 PolarHBondContact O-N 3.14Å; E46-N49 PolarHBondContact O-N 3.43Å; E46-K50 HydrophobicContact CG-CD 3.95Å; E46-K50 HydrophobicContact CG-CG 4.49Å; E46-K50 PolarHBondContact O-N 2.98Å; E46-K50 WeakPolarHBondContact OE1-CE 3.39Å; E46-K50 IonicContact OE1-NZ 2.68Å; E46-K50 PolarHBondContact OE1-NZ 3.44Å
47I62.4Low46Very low22 Ų22115.5 Ų115.511%0.11361%0.611CS.*Hα-helixtrans-70.4-26.1178.7-66.6164.5000112.7L43 E45 K254 I255L43-I47 HydrophobicContact CD1-CD1 3.96Å; L43-I47 HydrophobicContact CG-CD1 3.78Å; L43-I47 WeakPolarHBondContact O-CB 3.48Å; L43-I47 WeakPolarHBondContact O-CD1 3.39Å; L43-I47 WeakPolarHBondContact O-CG1 3.34Å; L43-I47 PolarHBondContact O-N 3.06Å; E45-I47 PolarHBondContact O-N 3.16Å; I47-K254 HydrophobicContact CG2-CB 4.19Å; I47-K254 HydrophobicContact CG2-CD 4.06Å; I47-I255 HydrophobicContact CD1-CD1 4.1Å; I47-I255 HydrophobicContact CD1-CG1 3.37Å
48N57.1Low45.8Very low86 Ų86114.8 Ų114.846%0.4661%0.613SS.*Hα-helixtrans-77.6-30.9173.5-68.7-23.9000111.9V44 E45 E46 K251V44-N48 WeakPolarHBondContact O-CB 3.41Å; V44-N48 PolarHBondContact O-N 3.19Å; V44-N48 VanDerWaalsContact O-N 3.12Å; V44-N48 PolarHBondContact O-ND2 3.32Å; V44-N48 PolarHBondContact O-OD1 3.11Å; E45-N48 PolarHBondContact O-N 2.81Å; E46-N48 VanDerWaalsContact C-N 3.3Å; E46-N48 PolarHBondContact O-N 3.14Å; N48-K251 PolarHBondContact OD1-NZ 3.4Å
49N49.1Very low45.1Very low124 Ų124117.9 Ų117.966%0.66362%0.624SS**Hα-helixtrans-103.4-22.2-167.1-63.8-18.4000114.4E45 E46E45-N49 VanDerWaalsContact O-CB 3.26Å; E45-N49 WeakPolarHBondContact O-CB 3.18Å; E45-N49 PolarHBondContact O-N 2.68Å; E45-N49 PolarHBondContact O-ND2 3.45Å; E46-N49 PolarHBondContact O-N 3.43Å
50K45.2Very low44.5Very low139 Ų139123.5 Ų123.560%0.60463%0.632SS**  trans-88.6120.1178.1-84.2-178.1176.4171.40113.5E46E46-K50 HydrophobicContact CG-CD 3.95Å; E46-K50 HydrophobicContact CG-CG 4.49Å; E46-K50 PolarHBondContact O-N 2.98Å; E46-K50 WeakPolarHBondContact OE1-CE 3.39Å; E46-K50 IonicContact OE1-NZ 2.68Å; E46-K50 PolarHBondContact OE1-NZ 3.44Å
51T38.1Very low43.5Very low127 Ų127124.4 Ų124.478%0.77964%0.644SS**  trans-98.4132.2148.2-42.50000106L53T51-L53 PolarHBondContact O-N 2.94Å
52P39.4Very low42.1Very low119 Ų119128.4 Ų128.477%0.77367%0.67SS**  trans-75.6113.5-168.628.2-34.1000112.1
53L32.2Very low41Very low159 Ų159130.3 Ų130.383%0.83267%0.672SS**  trans-93.9126.7148.4-100.179.8000107.8T51T51-L53 PolarHBondContact O-N 2.94Å
54S29.1Very low39.7Very low122 Ų122138 Ų13885%0.85370%0.704SS**  trans-82.1113164.9-64.70000109
55E31.7Very low38.1Very low184 Ų184140.8 Ų140.886%0.8672%0.72SS**  trans-82.1122.2161.7-72.6-177.2151.900108.7
56S29.6Very low36.7Very low97 Ų97140.2 Ų140.268%0.67873%0.727SS**  trans-99.896.3174.9152.40000107.1K58S56-K58 PolarHBondContact O-N 3.4Å; S56-K58 VanDerWaalsContact O-N 3.17Å
57E31.6Very low34.9Very low194 Ų194144.2 Ų144.291%0.90775%0.75SS**  trans-61.1118.7169.8-69.1-177.1145.400109.3
58K32.5Very low33.3Very low186 Ų186147.3 Ų147.381%0.80978%0.78SS**  trans-104.2111.7165-74.5-174.8176.3-177.10106.9S56S56-K58 PolarHBondContact O-N 3.4Å; S56-K58 VanDerWaalsContact O-N 3.17Å
59E30.2Very low32.1Very low199 Ų199149 Ų14993%0.9380%0.795SS**PPolyproline II helixtrans-85.1127.7170.7-155.5166.6-158.400108.2
60E31.6Very low31Very low183 Ų183150.5 Ų150.586%0.85580%0.803SS**PPolyproline II helixtrans-89.5124.3-178.3-73.4-173.4138.100111.1T62E60-T62 PolarHBondContact O-N 3.25Å
61D28.3Very low30.2Very low157 Ų157152.4 Ų152.484%0.8482%0.819SS**PPolyproline II helixtrans-57.9133.2172.7-82.3-54.4000112
62T27.8Very low29.5Very low134 Ų134149.6 Ų149.682%0.82282%0.815SS**  trans-130.6115.6158.8-59.20000110.3E60E60-T62 PolarHBondContact O-N 3.25Å
63Y28.4Very low28.9Very low202 Ų202149.6 Ų149.679%0.79282%0.818SS**  trans-55.2146-175.5-62.1-94.8000115.3
64F26.6Very low28.6Very low205 Ų205151.8 Ų151.890%0.89982%0.821SS**  trans-154.1134.9131.8-98-70000112
65V26.5Very low28.4Very low129 Ų129156.8 Ų156.878%0.78282%0.821SS**  trans-135.7126.6173.3168.30000106.9
66P31.3Very low28.4Very low104 Ų104153.7 Ų153.768%0.67582%0.817SS**  -145.4171109.129.4-9.1000112.4
67D24.3Very low28.3Very low156 Ų156152.9 Ų152.983%0.83481%0.811SS**  cis-153.6159.2-7.6-115.2-35.7000108
68A28.4Very low28.1Very low88 Ų88151.3 Ų151.373%0.72781%0.807SS**  trans-91.7165.1177.600000112.9
69P32.9Very low27.7Very low120 Ų120152.3 Ų152.378%0.77981%0.807SS**  -143.1130.1111.934-19.1000116.6
70N25.9Very low27.5Very low156 Ų156152.2 Ų152.283%0.83481%0.807SS**  trans23.6120.5143-66.4-54.8000121.3
71L26.8Very low27.3Very low180 Ų180148 Ų14894%0.94279%0.793SS**  -155.3130.8116.3-154.564.3000110.3
72G24Very low27.2Very low67 Ų67148.8 Ų148.869%0.69179%0.792SS**  trans-113.7170.3-169.700000115.3
73S28.1Very low27.5Very low119 Ų119147.3 Ų147.383%0.83279%0.785SS**  trans-174.5147.3139.746.20000114.2
74K25.7Very low27.4Very low205 Ų205147.9 Ų147.989%0.89179%0.786SS**  trans63103.5157.7-80.9-179.9170.1178.60122
75W24.5Very low27.4Very low228 Ų228148.3 Ų148.386%0.86478%0.783SS**  trans-59.6163140.5-73.5105.9000112
76P31.7Very low27.5Very low118 Ų118150.6 Ų150.677%0.76678%0.782SS**  cis-126.5152.941.538.6-22.2000115.3
77S26.4Very low27.3Very low80 Ų80149.5 Ų149.556%0.55978%0.777SS**  cis67.385.246.2-179.30000115.4
78I27.9Very low27.5Very low161 Ų161151.2 Ų151.283%0.82678%0.78SS**  trans-135.2124.7147.6-58.2-177.7000108
79Y25.3Very low27.5Very low208 Ų208155.6 Ų155.682%0.81678%0.783SS**  trans-81.3137.8166.1-97.5-102.2000109.1
80E25.2Very low27.3Very low197 Ų197155.5 Ų155.592%0.92178%0.781SS**  trans-148.8153.3147.1-137.4165.9-152.700111.2
81T26.5Very low27.5Very low93 Ų93153.9 Ų153.957%0.57178%0.782SS**  trans-131.8120.6-144.3-61.10000112.6
82H26.5Very low27.5Very low175 Ų175153.5 Ų153.581%0.8178%0.775SS**  trans67.9167.5161-64.9-20.6000117.3
83P33.8Very low27.8Very low103 Ų103155.5 Ų155.567%0.66978%0.778SS**  cis-124.81640.323.9-1.1000116.9Y85P83-Y85 PolarHBondContact O-N 2.92Å
84R27.9Very low28Very low214 Ų214155.8 Ų155.881%0.80878%0.777SS**  trans-70.3113.9167.9179.9-170-65166.1-3.8110.1F86R84-F86 HydrophobicContact CG-CD2 4.46Å; R84-F86 HydrophobicContact CG-CE2 4.38Å
85Y25.1Very low28Very low214 Ų214153.7 Ų153.784%0.83978%0.776SS**  trans-87.7116.6169.5-106.8-90.1000110.6P83P83-Y85 PolarHBondContact O-N 2.92Å
86F29.1Very low28.3Very low176 Ų176148.3 Ų148.377%0.77277%0.773SS**  trans-83.2123.7155.1-83.2-93.2000107.6R84R84-F86 HydrophobicContact CG-CD2 4.46Å; R84-F86 HydrophobicContact CG-CE2 4.38Å
87S27.1Very low28.2Very low82 Ų82148 Ų14857%0.57377%0.774SS**  trans-99.5100167.4570000109.4F89S87-F89 VanDerWaalsContact CB-CE2 3.5Å; S87-F89 PolarHBondContact O-N 3.26Å; S87-F89 WeakPolarHBondContact OG-CE2 3.47Å
88E27.7Very low28.4Very low191 Ų191152.3 Ų152.389%0.89379%0.785SS**  trans-60.5118.7157.4-72.8178125.300107.7
89F28.7Very low28.4Very low181 Ų181151.5 Ų151.579%0.79478%0.782SS**  trans-107.7107.5166.6-81.8-68.8000109.3S87S87-F89 VanDerWaalsContact CB-CE2 3.5Å; S87-F89 PolarHBondContact O-N 3.26Å; S87-F89 WeakPolarHBondContact OG-CE2 3.47Å
90T28.5Very low28.5Very low118 Ų118152.2 Ų152.272%0.72478%0.783SS**  trans-53.5135173.847.30000111.9Q92T90-Q92 PolarHBondContact O-N 3.49Å
91S31.7Very low28.8Very low122 Ų122151.7 Ų151.785%0.85378%0.778SS**  trans-67.1103.5169.2570000110.9
92Q25.7Very low28.9Very low171 Ų171150.7 Ų150.780%0.79979%0.786SS**  trans-123.6119.7158.4-72.3-168.3-2.800108.9T90T90-Q92 PolarHBondContact O-N 3.49Å
93S29.6Very low29.1Very low109 Ų109151.3 Ų151.376%0.76279%0.786SS**PPolyproline II helixtrans-70.4128.9172.447.90000110.2
94P33.3Very low28.9Very low125 Ų125154.5 Ų154.581%0.81280%0.797SS**PPolyproline II helixtrans-76.2133.1162.32.813.4000109.3S96P94-S96 PolarHBondContact O-N 3Å
95D26.2Very low28.9Very low162 Ų162149.4 Ų149.487%0.86679%0.794SS**PPolyproline II helixtrans-56126.1176.2-73.6-61.8000112.2S97D95-S97 PolarHBondContact O-N 3.4Å; D95-S97 VanDerWaalsContact O-N 3.16Å
96S30.1Very low29.4Very low115 Ų115143.6 Ų143.680%0.80479%0.79SS**  trans-71.5106.5172.855.50000110.4P94 Q98P94-S96 PolarHBondContact O-N 3Å; S96-Q98 PolarHBondContact O-N 2.98Å
97S29.1Very low29.6Very low111 Ų111143.1 Ų143.178%0.77679%0.794SS**  trans-65.7115.4175.550.30000111.1D95 L99D95-S97 PolarHBondContact O-N 3.4Å; D95-S97 VanDerWaalsContact O-N 3.16Å; S97-L99 PolarHBondContact O-N 3.02Å
98Q30.6Very low29.9Very low171 Ų171142.5 Ų142.580%0.79980%0.801SS**  trans-78.990.8-168.6-165.5178.837.300112S96 R100S96-Q98 PolarHBondContact O-N 2.98Å; Q98-R100 PolarHBondContact O-N 3.48Å
99L28.8Very low30.1Very low144 Ų144143.1 Ų143.175%0.75480%0.801SS**  trans-66.599.4169.4-103.7145.3000110.2S97 F101S97-L99 PolarHBondContact O-N 3.02Å; L99-F101 HydrophobicContact CD2-CE2 4.03Å; L99-F101 PolarHBondContact O-N 2.88Å
100R27.2Very low30.2Very low222 Ų222140.2 Ų140.284%0.83879%0.794SS**  trans-72111.7176.6-60.7-167.7-163.5-179.37.3110.7Q98Q98-R100 PolarHBondContact O-N 3.48Å
101F32.3Very low30.5Very low186 Ų186140.2 Ų140.282%0.81680%0.796SS**  trans-107.2153.3155.7-80.9-81.3000110.9L99L99-F101 HydrophobicContact CD2-CE2 4.03Å; L99-F101 PolarHBondContact O-N 2.88Å
102G27.8Very low30.6Very low72 Ų72138.5 Ų138.574%0.74279%0.789SS**  trans-65138.5-160.100000115.1L104G102-L104 PolarHBondContact O-N 3.24Å; G102-L104 VanDerWaalsContact O-N 3.15Å
103K31.4Very low31.1Very low189 Ų189136.4 Ų136.482%0.82279%0.788SS**  trans-71.6101.5175.4-174.9177.2-175.9175.40110.7
104L29.8Very low31.4Very low170 Ų170138.2 Ų138.289%0.8979%0.788SS**  trans-114.888.7164.3-76.1171.7000109.1G102G102-L104 PolarHBondContact O-N 3.24Å; G102-L104 VanDerWaalsContact O-N 3.15Å
105S28.1Very low31.3Very low106 Ų106137.5 Ų137.574%0.74178%0.783SS**  trans-77.2120.2172.5-59.30000109.6
106A34.9Very low31.6Very low93 Ų93136 Ų13677%0.76978%0.781SS**  trans-128.6134.4173.900000110.2
107I32.4Very low31.7Very low165 Ų165139.3 Ų139.385%0.84678%0.783SS**  trans-84.3137.5-173.1-66.5158.3000110
108G33.4Very low31.8Very low70 Ų70142.2 Ų142.272%0.72278%0.784SS**  trans-126148.6175.500000112.1
109F32.6Very low31.9Very low203 Ų203141.9 Ų141.989%0.8979%0.787SS**  trans-94.1150.8-176-67-81.7000113.3
110N30.6Very low31.9Very low120 Ų120141.5 Ų141.564%0.64278%0.784SS**  trans-92.1133.4177.6-165.4-9.2000110A112N110-A112 PolarHBondContact O-N 3.42Å
111P34Very low32.2Very low118 Ų118139.1 Ų139.177%0.76678%0.782SS**THydrogen-bonded Turntrans-69.3-0.3-172.6-21.233.9000116.5V113P111-V113 PolarHBondContact O-N 3.48Å; P111-V113 VanDerWaalsContact O-N 3.14Å
112A34.8Very low32.1Very low86 Ų86138.5 Ų138.571%0.71178%0.782SS**THydrogen-bonded Turntrans-77.410.9-172.500000115.3N110N110-A112 PolarHBondContact O-N 3.42Å
113V37.1Very low32.6Very low128 Ų128138.6 Ų138.678%0.77678%0.783SS**  trans-112.868178.9-1660000110.6P111P111-V113 PolarHBondContact O-N 3.48Å; P111-V113 VanDerWaalsContact O-N 3.14Å
114L34.5Very low32.4Very low147 Ų147133 Ų13377%0.7777%0.772SS**SBendtrans-122.8129.5158.5-72.5175.6000107.7T116L114-T116 PolarHBondContact O-N 3.37Å
115P31.3Very low32.7Very low109 Ų109130.5 Ų130.571%0.70877%0.769SS**  trans-65.7128.1-179.626.5-33.1000110.2H117P115-H117 PolarHBondContact O-N 3.11Å
116T33.6Very low32.7Very low132 Ų132136.4 Ų136.481%0.8178%0.775SS**  trans-59.7111.5172.3-46.40000109L114 Q118L114-T116 PolarHBondContact O-N 3.37Å; T116-Q118 PolarHBondContact O-N 3.26Å
117H32.5Very low32.3Very low184 Ų184142.8 Ų142.885%0.85278%0.779SS**  trans-61.4109.9171.9-97.9-89.7000109.1P115 L119P115-H117 PolarHBondContact O-N 3.11Å; H117-L119 PolarHBondContact O-N 2.64Å
118Q30.8Very low32.2Very low172 Ų172142.5 Ų142.580%0.80478%0.779SS**  trans-66.6124.9172-64.7-176.612.100108.4T116 I120T116-Q118 PolarHBondContact O-N 3.26Å; Q118-I120 PolarHBondContact O-N 2.84Å
119L31.1Very low32.3Very low163 Ų163145 Ų14585%0.85378%0.783SS**  trans-80.486.6-177.8-155.5157.4000108.4H117 H121H117-L119 PolarHBondContact O-N 2.64Å; L119-H121 PolarHBondContact O-N 3.02Å; L119-H121 VanDerWaalsContact O-N 3.13Å
120I29Very low32.3Very low137 Ų137141.3 Ų141.370%0.70378%0.782SS**  trans-66.7110.5174.3-60.8178.6000108Q118 E122Q118-I120 PolarHBondContact O-N 2.84Å; I120-E122 VanDerWaalsContact C-N 3.34Å; I120-E122 HydrophobicContact CG2-CB 4.31Å; I120-E122 PolarHBondContact O-N 2.84Å
121H34.6Very low32.2Very low171 Ų171139.4 Ų139.479%0.79279%0.791SS**  trans-80.281.3175.8-178.1-71.9000109.8L119L119-H121 PolarHBondContact O-N 3.02Å; L119-H121 VanDerWaalsContact O-N 3.13Å
122E29.9Very low32.1Very low173 Ų173142.8 Ų142.881%0.80879%0.794SS**  trans-101107.1174.2-156.6163.5-143.100110.2I120 A124I120-E122 VanDerWaalsContact C-N 3.34Å; I120-E122 HydrophobicContact CG2-CB 4.31Å; I120-E122 PolarHBondContact O-N 2.84Å; E122-A124 PolarHBondContact O-N 3.32Å
123G37.4Very low31.7Very low75 Ų75148.2 Ų148.277%0.77380%0.797SS**  trans-77.5105.7-177.300000111.9
124A28.5Very low31.4Very low71 Ų71150.3 Ų150.359%0.58780%0.798SS**  trans-131.3120170.100000111E122E122-A124 PolarHBondContact O-N 3.32Å
125S34.6Very low31Very low117 Ų117146.7 Ų146.782%0.81880%0.796SS**  trans-69.7126.8179.4580000111.9
126W28.1Very low31Very low231 Ų231149 Ų14988%0.87580%0.801SS**  trans-106.797.7170.4-74.596.9000112.1
127R27.4Very low30.8Very low227 Ų227151.1 Ų151.186%0.85780%0.801SS**  trans-72.1133.9167-168.7-174-144.8-132.97.7108.8P129R127-P129 WeakPolarHBondContact O-CD 3.24Å
128N29.7Very low30.8Very low159 Ų159153 Ų15385%0.8580%0.803SS**  trans-58.2131177-64.4-31.9000112
129P35.2Very low31.1Very low122 Ų122150.2 Ų150.279%0.79280%0.799SS**  trans-100.4109.216332.7-23.3000110.7R127R127-P129 WeakPolarHBondContact O-CD 3.24Å
130S33.5Very low31Very low125 Ų125151.9 Ų151.987%0.87479%0.794SS**  trans-70.3126.9159.452.80000110
131G28.3Very low31Very low81 Ų81155.2 Ų155.284%0.83580%0.804SS**  trans-160.9121.2175.500000112.6
132K31.7Very low30.7Very low188 Ų188153.2 Ų153.282%0.81780%0.799SS**  trans-89.2151.3171.6-60.8176.1178.3179.30109.4
133Y27.4Very low30.7Very low201 Ų201150 Ų15079%0.78880%0.802SS**  173170115.4-97.4-70.5000112.7
134H31.1Very low30.5Very low172 Ų172154.3 Ų154.380%0.79681%0.807SS**  trans-42.2157.2-176.8-52.5-57.3000116.3
135G25.9Very low30.7Very low70 Ų70155.9 Ų155.972%0.72281%0.811SS**  cis127.4108.87.900000110.9
136I30.4Very low30.6Very low158 Ų158157 Ų15781%0.8182%0.815SS**  trans-141.8136.1173.3-64.7-175.1000108.5Y138I136-Y138 HydrophobicContact CG2-CE2 4.43Å
137E30.2Very low30.6Very low176 Ų176151.5 Ų151.582%0.82281%0.812SS**  trans-92146.6-176.8-55.7173.8127.900112.4
138Y30.8Very low30.8Very low225 Ų225146.6 Ų146.688%0.88281%0.812SS**  trans-151.5159.6150.7-83.6-58.8000109.5I136I136-Y138 HydrophobicContact CG2-CE2 4.43Å
139P38Very low30.8Very low112 Ų112145.7 Ų145.773%0.72781%0.813SS**  trans-93.7163.1-131.834.5-38.6000117.4
140R28.3Very low30.5Very low199 Ų199143.7 Ų143.775%0.75182%0.815SS**  trans-76.9138.1-176.7-168.8-173.9-60.2167.6-3.3112.4D142R140-D142 VanDerWaalsContact CD-CG 3.46Å; R140-D142 WeakPolarHBondContact CD-OD1 3.27Å; R140-D142 WeakPolarHBondContact CD-OD2 3.26Å
141F30.2Very low30.2Very low207 Ų207146 Ų14691%0.90881%0.811SS**  trans-120.2107.7157.7-84.3-78.4000108.9
142D27.4Very low30.1Very low128 Ų128145.7 Ų145.768%0.68481%0.808SS**  trans-87.4132.5173.9-65.8-49.2000110R140R140-D142 VanDerWaalsContact CD-CG 3.46Å; R140-D142 WeakPolarHBondContact CD-OD1 3.27Å; R140-D142 WeakPolarHBondContact CD-OD2 3.26Å
143A29.5Very low30.1Very low105 Ų105144.8 Ų144.887%0.86881%0.807SS**  trans-136.894.1166.600000109.3
144L34.4Very low30Very low167 Ų167141.5 Ų141.587%0.87481%0.812SS**PPolyproline II helixtrans-94.5157171.4-83173.3000110.7
145P32.8Very low29.9Very low103 Ų103140.9 Ų140.967%0.66982%0.815SS**PPolyproline II helixtrans-83.1161-163.134.1-37.4000113.4S147P145-S147 PolarHBondContact O-N 2.8Å
146P33Very low30.7Very low140 Ų140143 Ų14391%0.90982%0.815SS**PPolyproline II helixtrans-76.7118172.730.8-32.5000111.3
147S27.9Very low30.4Very low116 Ų116144 Ų14481%0.81182%0.817SS**  trans-120.8126.115859.60000108.8P145P145-S147 PolarHBondContact O-N 2.8Å
148S31.2Very low30.3Very low124 Ų124139.3 Ų139.387%0.86782%0.816SS**  trans-139.7124.3161.962.20000111.5
149T29.5Very low30.2Very low140 Ų140137.2 Ų137.286%0.85981%0.814SS**  trans-72.2135.4175.1-49.80000110.3
150G28.1Very low29.6Very low81 Ų81138 Ų13884%0.83582%0.822SS**  trans-124.7103.1164.100000109.1
151Q29Very low29.5Very low172 Ų172131.2 Ų131.280%0.80481%0.814SS**  trans-84.5139.8-173.7-172.3176.8100111
152G25.6Very low29.4Very low75 Ų75127.6 Ų127.677%0.77381%0.809SS**  trans-174.173.3-178.200000112.7
153E31.4Very low29.5Very low170 Ų170130.3 Ų130.379%0.79482%0.815SS**  trans-75133.9172.9-63174.1132.200110.8
154C26.2Very low29.4Very low132 Ų132132.5 Ų132.589%0.89281%0.807SS**  trans-176.9110.3141.2-97.90000111.1
155N28.6Very low29.2Very low159 Ų159133.6 Ų133.685%0.8581%0.807SS**  trans-121.6141.5152.1-110.7-29.7000104.9
156P41.9Very low29Very low113 Ų113135.3 Ų135.373%0.73481%0.811SS**  -151.3147.989.838.5-20.5000117.2
157Q25.5Very low28.8Very low179 Ų179140 Ų14084%0.83681%0.812SS**  48.7115.4126.9-163.1168.4-9.100120.7
158G27.3Very low28.7Very low78 Ų78140.3 Ų140.380%0.80481%0.813SS**  trans-161135.9163.600000112.1
159Q27.9Very low28.5Very low182 Ų182138.1 Ų138.185%0.8581%0.81SS**  trans-100.3170.4-173.6-65.1177.2-6.500113.3
160S27Very low28.4Very low127 Ų127140.1 Ų140.189%0.88881%0.81SS**  trans74.2143.4159.3-161.70000116.7
161G25.3Very low28.3Very low57 Ų57145.8 Ų145.859%0.58881%0.814SS**  cis170.7147.4-6.900000113.1
162T27.3Very low28.3Very low131 Ų131147 Ų14780%0.80482%0.819SS**  trans47.4126.1150.242.70000124.2
163K29.9Very low28.3Very low185 Ų185146.2 Ų146.280%0.80481%0.812SS**  trans95.8117.6137-72.7-178.7175.7-178.10122.4
164H27.7Very low28.1Very low152 Ų152146.3 Ų146.370%0.70482%0.818SS**  trans33.8133.1135.2-56.3-68000122.4
165H30.4Very low28.4Very low189 Ų189148 Ų14888%0.87582%0.817SS**  -165154.890.6-99.2-65.2000113.7
166N28.1Very low28.9Very low140 Ų140144.8 Ų144.875%0.74981%0.805SS**  trans-82.4156.4173.3-63.9-20000111.3
167Y29.4Very low28.4Very low238 Ų238148.9 Ų148.993%0.93381%0.814SS**  trans-148136.1135.8-112.8-80.6000110.2
168C26.6Very low28.6Very low122 Ų122148.6 Ų148.682%0.82481%0.812SS**  trans-90.9155.6174.4-64.20000110.9
169G27Very low28.6Very low78 Ų78153.8 Ų153.880%0.80482%0.815SS**  trans-156.3106.916700000109.2
170E26Very low28.6Very low183 Ų183149.2 Ų149.286%0.85580%0.803SS**  trans-71.9146.6180-59.2162.6142.700110.7
171H27.4Very low28.6Very low200 Ų200148.7 Ų148.793%0.92680%0.799SS**  trans-159.3143134.8-11162.6000111.5
172E27.3Very low28.8Very low196 Ų196156 Ų15692%0.91681%0.81SS**  trans-98.4145.8-169.9-176.1174.9-164.300111
173G27.3Very low28.9Very low60 Ų60154.9 Ų154.962%0.61981%0.808SS**  trans167.686176.700000118.2
174N27.1Very low28.9Very low172 Ų172153.5 Ų153.592%0.9281%0.808SS**  trans70.1115.5148-52.6-40.4000121.1
175L31.7Very low28.8Very low168 Ų168153.1 Ų153.188%0.8881%0.811SS**  trans-98.1176.1157.4-80.8163.9000109.8
176P39Very low28.9Very low90 Ų90149.4 Ų149.458%0.58481%0.806SS**  cis-128.5169.6-27.133.4-17.2000112.8
177H31Very low29.3Very low199 Ų199150.3 Ų150.392%0.92181%0.81SS**  trans-105.1133.3158.9-89.9-65.2000111.3
178H29.8Very low29.6Very low174 Ų174144.8 Ų144.881%0.80680%0.803SS**  trans-77.5149.2-172.7-87.1-95.8000114.2
179H27.9Very low29.7Very low187 Ų187145.5 Ų145.587%0.86680%0.798SS**  trans-56.2144.7161.4-66.8-93.7000111.7
180S26.9Very low29.9Very low86 Ų86153.3 Ų153.360%0.60180%0.804SS**  trans-117.5125.5164.4-174.80000109.7Y182S180-Y182 WeakPolarHBondContact OG-CE2 3.5Å
181S28.3Very low30.1Very low115 Ų115151.3 Ų151.380%0.80480%0.795SS**  trans-111.3129.4172.3-58.90000108
182Y29.3Very low30.2Very low210 Ų210150.1 Ų150.182%0.82479%0.787SS**  trans-111.7111.6172.8-79.6-73.4000111S180S180-Y182 WeakPolarHBondContact OG-CE2 3.5Å
183S27.9Very low30.3Very low109 Ų109153 Ų15376%0.76279%0.789SS**  trans-101.5138.1156.31770000107.5
184I29.9Very low30.3Very low155 Ų155161.9 Ų161.980%0.79580%0.804SS**  trans-134.9126.5163-70-171.8000108.5
185D27.1Very low30.4Very low144 Ų144159.6 Ų159.677%0.7780%0.802SS**  trans-114.7168.7168.4-139.2-24.2000109
186S31.6Very low30.2Very low111 Ų111155.4 Ų155.478%0.77680%0.799SS**  trans83136.4164.178.80000121.7
187I37Very low29.6Very low160 Ų160157.2 Ų157.282%0.82180%0.804SS**  trans-91152.5177.3-67.2166000110.5
188P34.8Very low29.7Very low121 Ų121154.6 Ų154.679%0.78680%0.801SS**  trans-115.2126.215234.1-24.6000113.6
189N28.8Very low29.6Very low137 Ų137152.6 Ų152.673%0.73380%0.796SS**  trans-71.7148.2167.3-179.87.6000111
190R32.4Very low29.6Very low242 Ų242151.5 Ų151.591%0.91380%0.796SS**  trans-142.3131.9163.4-89.6-163.9171.8-151.9-2.5113
191E29.5Very low29.6Very low142 Ų142153.8 Ų153.866%0.66481%0.806SS**  trans-84.3157-178.8-68-171.995.500115
192K29.7Very low29.7Very low175 Ų175156.7 Ų156.776%0.76181%0.807SS**  trans45.1120.1140.2-68.3165.9-177.7148.40119.6
193R29.9Very low30.2Very low255 Ų255151.6 Ų151.696%0.96280%0.8SS**  -128.9152.8127.5-78.2-161.7175.2-165.6-0.1111.4
194R27.1Very low30.2Very low247 Ų247152 Ų15293%0.93280%0.803SS**  trans-120.1147.3-171.8176.2-167.9-169.8-159.25.4108.6
195S28Very low30.1Very low125 Ų125151.4 Ų151.487%0.87480%0.8SS**  trans143.4133.8141.1-166.10000112
196G28.2Very low30.1Very low80 Ų80153.8 Ų153.883%0.82581%0.807SS**  trans153.263.2-178.400000111.5
197D27.4Very low30Very low128 Ų128155.8 Ų155.868%0.68480%0.802SS**  trans-102.7128.3-176-177.90.4000110.3N199D197-N199 PolarHBondContact OD1-ND2 3.23Å
198V32.5Very low29.6Very low144 Ų144154.5 Ų154.587%0.87381%0.807SS**  trans-143107.1161-170.60000108.4
199N27.8Very low29.4Very low131 Ų131156.6 Ų156.670%0.70180%0.804SS**  trans-91.3138.6173.5-90.3-93.8000111.1D197D197-N199 PolarHBondContact OD1-ND2 3.23Å
200L26.5Very low29.3Very low164 Ų164157.1 Ų157.186%0.85981%0.807SS**  trans-155.195.9151.1-141.1103.3000113.8
201V28Very low29.4Very low135 Ų135149.4 Ų149.482%0.81879%0.79SS**  trans58.5109.6136.6-1760000120.4
202E29.4Very low29.4Very low175 Ų175151.4 Ų151.482%0.81880%0.797SS**  trans-75.4-171.1159.1-121.6-174.4175.500112.1
203P40.6Very low29.6Very low104 Ų104150.6 Ų150.668%0.67580%0.8SS**  cis-138.5-179.9-14.137-17.5000115.4
204S27.5Very low29.6Very low117 Ų117144.6 Ų144.682%0.81879%0.794SS**  trans173.2100.8139.8-75.30000108.6
205L29.4Very low29.7Very low142 Ų142144.2 Ų144.274%0.74379%0.792SS**  68.7104.676-159.989.4000115F207L205-F207 HydrophobicContact CD1-CD2 4.38Å; L205-F207 HydrophobicContact CD1-CE2 3.85Å
206E25.9Very low29.9Very low194 Ų194144.6 Ų144.691%0.90779%0.79SS**  -157154.5124.6-120.8178.1-149.200112.4
207F29.3Very low30.1Very low153 Ų153146.5 Ų146.567%0.67179%0.79SS**  trans-97.8156-167.9-77.9-96.6000112.9L205L205-F207 HydrophobicContact CD1-CD2 4.38Å; L205-F207 HydrophobicContact CD1-CE2 3.85Å
208S28.7Very low30.2Very low134 Ų134148 Ų14894%0.93779%0.793SS**  trans-141121.9143.3-77.10000110.1
209K31.3Very low30.1Very low165 Ų165148.1 Ų148.172%0.71779%0.789SS**  trans-104.8160.6-170.4-118-177.1-175.81790109.9
210D27.2Very low30.2Very low147 Ų147148.4 Ų148.479%0.78680%0.795SS**  trans98.3100.1152.3-55.2-27.1000118.8
211S32.9Very low30.4Very low80 Ų80145.9 Ų145.956%0.55979%0.791SS**  trans-76.5150.7144.751.40000110.9
212F30.6Very low30.6Very low185 Ų185146 Ų14681%0.81179%0.792SS**  159.4129.1121.2-80.5-57.3000113.9
213L32.7Very low30.8Very low157 Ų157145.7 Ų145.782%0.82279%0.791SS**  trans65.1130.6152.9-61169.5000120.6
214P31.6Very low30.7Very low130 Ų130145.6 Ų145.684%0.84479%0.793SS**PPolyproline II helixtrans-78.3135.6168.233-32.2000111.2
215R27.9Very low31.1Very low238 Ų238146.5 Ų146.590%0.89879%0.793SS**PPolyproline II helixtrans-90.8144.2179.7-168176.9-166.3154.63.5111.1
216T32.8Very low31.5Very low134 Ų134147.8 Ų147.882%0.82280%0.795SS**PPolyproline II helixtrans-54.2134.3173-16.60000112
217S31.9Very low32.2Very low119 Ų119144.4 Ų144.483%0.83279%0.79SS**  trans-145.5131.6163.1-172.30000108.9
218E30.5Very low33.1Very low160 Ų160144.8 Ų144.875%0.74880%0.798SS**  trans-96.2147-172.2-66.5176.4144.100112.3
219N30.6Very low33.6Very low146 Ų146141 Ų14178%0.78178%0.78SS**  trans55102.5146.8-53.7-22.4000120.1
220V28.8Very low34.1Very low138 Ų138138.3 Ų138.384%0.83678%0.781SS**  trans-130125.7136.6176.40000108.6
221S31.8Very low34.9Very low110 Ų110137.2 Ų137.277%0.76978%0.781SS**  trans-76.7130.9172.9-177.10000110.5
222V32.1Very low35.9Very low139 Ų139140 Ų14084%0.84279%0.789SS**  trans-133129.2157.8179.50000107.5
223E32.1Very low36.6Very low167 Ų167139.4 Ų139.478%0.7879%0.788SS**  trans-93.2147.9-164.1-173.5171.3179.800112.7
224S38.3Very low37.2Very low103 Ų103139.3 Ų139.372%0.7279%0.787SS**  trans59.4100.1163.865.70000118.7
225T37.8Very low38.1Very low136 Ų136137.7 Ų137.783%0.83478%0.775SS**  -149.5116127.2-650000106.9P227T225-P227 VanDerWaalsContact O-CD 3.32Å; T225-P227 WeakPolarHBondContact O-CD 3.41Å
226E37Very low38.9Very low168 Ų168135.7 Ų135.779%0.78578%0.776SS**  trans-65121.5175.7-66.1179.1135.400109.6I228E226-I228 PolarHBondContact O-N 3.07Å; E226-I228 VanDerWaalsContact O-N 3.13Å
227P39.7Very low39.8Very low123 Ų123132.7 Ų132.780%0.79976%0.757SS**  trans-72.4106.816230.1-28.7000107T225 G229T225-P227 VanDerWaalsContact O-CD 3.32Å; T225-P227 WeakPolarHBondContact O-CD 3.41Å; P227-G229 PolarHBondContact O-N 3.44Å
228I48.3Very low40.7Very low162 Ų162132 Ų13283%0.83175%0.749SS**  trans-70.467.3161.9-56.9169.6000107.1E226E226-I228 PolarHBondContact O-N 3.07Å; E226-I228 VanDerWaalsContact O-N 3.13Å
229G40.2Very low41.6Very low55 Ų55132.9 Ų132.957%0.56775%0.754SS**  trans-98.9100174.400000107.5P227 P231P227-G229 PolarHBondContact O-N 3.44Å; G229-P231 VanDerWaalsContact O-CD 3.27Å; G229-P231 WeakPolarHBondContact O-CD 3.39Å; G229-P231 VanDerWaalsContact O-N 3.08Å
230C41.4Very low42.7Very low108 Ų108128.8 Ų128.873%0.7375%0.746SS**  trans-52.7117.5159.8-61.50000106.9I232C230-I232 PolarHBondContact O-N 2.85Å
231P43.7Very low44.2Very low123 Ų123124 Ų12480%0.79972%0.718SS**  trans-66.5104.6179.726-32000107.6G229 E233G229-P231 VanDerWaalsContact O-CD 3.27Å; G229-P231 WeakPolarHBondContact O-CD 3.39Å; G229-P231 VanDerWaalsContact O-N 3.08Å; P231-E233 PolarHBondContact O-N 3.37Å
232I53.8Low46.3Very low138 Ų138123.3 Ų123.371%0.70871%0.706SS**  trans-68103.5168.8-60.6176.6000105.1C230 I234C230-I232 PolarHBondContact O-N 2.85Å; I232-I234 VanDerWaalsContact C-N 3.32Å; I232-I234 HydrophobicContact CG2-CG1 4.23Å; I232-I234 PolarHBondContact O-N 3.4Å
233E44.7Very low48.6Very low173 Ų173125.4 Ų125.481%0.80870%0.704SS**  trans-69.592.3176.9-166.9173-15600108.6P231 V235P231-E233 PolarHBondContact O-N 3.37Å; E233-V235 VanDerWaalsContact C-N 3.26Å; E233-V235 HydrophobicContact CG-CG2 4.17Å; E233-V235 PolarHBondContact O-N 2.95Å
234I45.4Very low50.9Low155 Ų155123.6 Ų123.680%0.79570%0.7SS**  trans-74.985.6175.3-55.6176.2000107.4I232 E236I232-I234 VanDerWaalsContact C-N 3.32Å; I232-I234 HydrophobicContact CG2-CG1 4.23Å; I232-I234 PolarHBondContact O-N 3.4Å; I234-E236 PolarHBondContact O-N 2.85Å
235V51Low53Low97 Ų97120 Ų12059%0.58867%0.672SS**  trans-68.9123.3168.1-174.40000108E233 V237E233-V235 VanDerWaalsContact C-N 3.26Å; E233-V235 HydrophobicContact CG-CG2 4.17Å; E233-V235 PolarHBondContact O-N 2.95Å; V235-V237 HydrophobicContact CB-CG2 4.23Å; V235-V237 HydrophobicContact CG1-CG2 4Å; V235-V237 WeakPolarHBondContact O-CG2 3.3Å; V235-V237 PolarHBondContact O-N 3.37Å; V235-V237 VanDerWaalsContact O-N 3.07Å
236E44.3Very low55Low196 Ų196115.3 Ų115.392%0.91665%0.647SS**  trans-72100.7174.1-171.7170-162.100109.2I234I234-E236 PolarHBondContact O-N 2.85Å
237V51.7Low57.3Low71 Ų71109.9 Ų109.943%0.4363%0.628SS.*  trans-112.5138.5175.9-152.40000108.6V235 Q239 S241V235-V237 HydrophobicContact CB-CG2 4.23Å; V235-V237 HydrophobicContact CG1-CG2 4Å; V235-V237 WeakPolarHBondContact O-CG2 3.3Å; V235-V237 PolarHBondContact O-N 3.37Å; V235-V237 VanDerWaalsContact O-N 3.07Å; V237-Q239 PolarHBondContact O-N 3.09Å; V237-S241 VanDerWaalsContact CG1-CB 3.48Å; V237-S241 WeakPolarHBondContact CG1-OG 3.43Å
238P52.4Low59.5Low103 Ų103108.3 Ų108.367%0.66961%0.609SS**  trans-50141.8173.815.6-31000112.7G240 S241P238-G240 PolarHBondContact O-N 2.93Å; P238-S241 WeakPolarHBondContact O-CB 3.48Å; P238-S241 PolarHBondContact O-N 3.05Å; P238-S241 VanDerWaalsContact O-N 3.08Å
239Q47.6Very low61.2Low180 Ų180101.8 Ų101.884%0.84158%0.577SS**THydrogen-bonded Turntrans-47.8131.5-164.5-159.4-178.222.500113.7V237 S241 N390V237-Q239 PolarHBondContact O-N 3.09Å; Q239-S241 VanDerWaalsContact C-N 3.27Å; Q239-S241 PolarHBondContact O-N 3.31Å; Q239-N390 PolarHBondContact O-ND2 3.41Å
240G55.2Low63.4Low59 Ų59104 Ų10461%0.60858%0.576SS**THydrogen-bonded Turntrans80.1-4.5179.700000115.5P238 N242P238-G240 PolarHBondContact O-N 2.93Å; G240-N242 PolarHBondContact O-N 3.1Å
241S60.5Low65.7Low38 Ų38102.4 Ų102.427%0.26656%0.556SS.*  trans-75.4108.4177.6-170.20000112.6V237 P238 Q239V237-S241 VanDerWaalsContact CG1-CB 3.48Å; V237-S241 WeakPolarHBondContact CG1-OG 3.43Å; P238-S241 WeakPolarHBondContact O-CB 3.48Å; P238-S241 PolarHBondContact O-N 3.05Å; P238-S241 VanDerWaalsContact O-N 3.08Å; Q239-S241 VanDerWaalsContact C-N 3.27Å; Q239-S241 PolarHBondContact O-N 3.31Å
242N74.7Confident67.8Low96 Ų9697.7 Ų97.751%0.51353%0.526SS..  trans-102.3169.2164.766.647.3000110.5G240 N244 L245 A246G240-N242 PolarHBondContact O-N 3.1Å; N242-N244 PolarHBondContact O-N 3.07Å; N242-N244 VanDerWaalsContact O-N 3.12Å; N242-N244 WeakPolarHBondContact OD1-CA 3.4Å; N242-N244 WeakPolarHBondContact OD1-CB 3.43Å; N242-N244 PolarHBondContact OD1-N 3.42Å; N242-L245 WeakPolarHBondContact O-CB 3.23Å; N242-L245 PolarHBondContact O-N 2.87Å; N242-L245 PolarHBondContact OD1-N 3.21Å; N242-A246 PolarHBondContact O-N 3.37Å
243K80.4Confident69.4Low183 Ų18396.6 Ų96.680%0.79652%0.516SS*.Hα-helixtrans-54-34.2-179.2-174.7176.6179.1178.20113.4S247K243-S247 VanDerWaalsContact O-CB 3.3Å; K243-S247 WeakPolarHBondContact O-CB 3.16Å; K243-S247 PolarHBondContact O-N 3.25Å
244N81.3Confident71.6Confident129 Ų12993.4 Ų93.469%0.6950%0.499SS*.Hα-helixtrans-72.6-39.4178.5-60.9-11.8000111.1N242 S247 F248N242-N244 PolarHBondContact O-N 3.07Å; N242-N244 VanDerWaalsContact O-N 3.12Å; N242-N244 WeakPolarHBondContact OD1-CA 3.4Å; N242-N244 WeakPolarHBondContact OD1-CB 3.43Å; N242-N244 PolarHBondContact OD1-N 3.42Å; N244-S247 PolarHBondContact O-N 3.17Å; N244-F248 WeakPolarHBondContact O-CB 3.49Å; N244-F248 PolarHBondContact O-N 3.11Å
245L81.8Confident73.8Confident26 Ų2688.8 Ų88.814%0.13648%0.475CS..Hα-helixtrans-63.2-48.6175.1-173.358.5000111.5N242 S247 F248 C249 L389N242-L245 WeakPolarHBondContact O-CB 3.23Å; N242-L245 PolarHBondContact O-N 2.87Å; N242-L245 PolarHBondContact OD1-N 3.21Å; L245-S247 VanDerWaalsContact C-N 3.31Å; L245-S247 PolarHBondContact O-N 3.12Å; L245-F248 PolarHBondContact O-N 2.67Å; L245-C249 PolarHBondContact O-N 2.67Å; L245-C249 PolarHBondContact O-SG 2.97Å; L245-C249 VanDerWaalsContact O-SG 3.38Å; L245-L389 HydrophobicContact CD1-CB 3.82Å; L245-L389 HydrophobicContact CD1-CD2 3.43Å; L245-L389 VanDerWaalsContact CD1-CD2 3.43Å; L245-L389 HydrophobicContact CD1-CG 4.21Å
246A80.4Confident75.6Confident38 Ų3886.3 Ų86.331%0.31446%0.456SS..Hα-helixtrans-59.9-41.7175.600000111.7N242 N250N242-A246 PolarHBondContact O-N 3.37Å; A246-N250 WeakPolarHBondContact O-CB 3.29Å; A246-N250 PolarHBondContact O-N 3.3Å; A246-N250 PolarHBondContact O-ND2 2.85Å
247S84.6Confident77.7Confident54 Ų5482.5 Ų82.538%0.37844%0.437SS..Hα-helixtrans-62.2-43.1174.8-1690000112.3K243 N244 L245 N250 K251K243-S247 VanDerWaalsContact O-CB 3.3Å; K243-S247 WeakPolarHBondContact O-CB 3.16Å; K243-S247 PolarHBondContact O-N 3.25Å; N244-S247 PolarHBondContact O-N 3.17Å; L245-S247 VanDerWaalsContact C-N 3.31Å; L245-S247 PolarHBondContact O-N 3.12Å; S247-N250 PolarHBondContact O-N 3.43Å; S247-K251 WeakPolarHBondContact O-CG 3.31Å; S247-K251 PolarHBondContact O-N 3.13Å
248F85.4Confident79.6Confident91 Ų9182.8 Ų82.840%0.39944%0.443SS..Hα-helixtrans-63.4-50.2176.7174.8-100.3000111.8N244 L245 N250 K251 V252 F387 L389N244-F248 WeakPolarHBondContact O-CB 3.49Å; N244-F248 PolarHBondContact O-N 3.11Å; L245-F248 PolarHBondContact O-N 2.67Å; F248-N250 VanDerWaalsContact C-N 3.29Å; F248-N250 PolarHBondContact O-N 3.34Å; F248-K251 WeakPolarHBondContact O-CB 3.39Å; F248-K251 PolarHBondContact O-N 3.47Å; F248-V252 HydrophobicContact CD1-CG2 4.37Å; F248-V252 HydrophobicContact CE1-CG2 3.93Å; F248-V252 HydrophobicContact CE2-CG2 4.09Å; F248-V252 HydrophobicContact CZ-CG2 3.77Å; F248-V252 WeakPolarHBondContact O-CG2 3.36Å; F248-V252 PolarHBondContact O-N 3.04Å; F248-F387 HydrophobicContact CD1-CE1 4.03Å; F248-F387 AromaticContact CE1-CE1 3.62Å; F248-F387 HydrophobicContact CE1-CE1 3.62Å; F248-F387 AromaticContact CE1-CZ 3.75Å; F248-F387 HydrophobicContact CE1-CZ 3.75Å; F248-F387 HydrophobicContact CZ-CZ 4.43Å; F248-L389 HydrophobicContact CD1-CD2 4.13Å; F248-L389 HydrophobicContact CE1-CD1 4.06Å; F248-L389 HydrophobicContact CE1-CD2 4.08Å; F248-L389 HydrophobicContact CE1-CG 4.44Å
249C84.1Confident81.4Confident24 Ų2481.3 Ų81.316%0.16242%0.424CS..Hα-helixtrans-59.2-40.3176.9-65.70000111.9L245 K251 V252 K253 F387L245-C249 PolarHBondContact O-N 2.67Å; L245-C249 PolarHBondContact O-SG 2.97Å; L245-C249 VanDerWaalsContact O-SG 3.38Å; C249-K251 PolarHBondContact O-N 3.34Å; C249-V252 PolarHBondContact O-N 3.41Å; C249-K253 PolarHBondContact O-N 2.93Å; C249-F387 HydrophobicContact CB-CD1 3.94Å; C249-F387 HydrophobicContact CB-CE1 4.41Å
250N86.1Confident83.5Confident103 Ų10376.4 Ų76.455%0.55140%0.402SS*.Hα-helixtrans-64.3-37.2174.5-74.6-18.9000112.7A246 S247 F248 K253 K254A246-N250 WeakPolarHBondContact O-CB 3.29Å; A246-N250 PolarHBondContact O-N 3.3Å; A246-N250 PolarHBondContact O-ND2 2.85Å; S247-N250 PolarHBondContact O-N 3.43Å; F248-N250 VanDerWaalsContact C-N 3.29Å; F248-N250 PolarHBondContact O-N 3.34Å; N250-K253 PolarHBondContact O-N 2.8Å; N250-K254 WeakPolarHBondContact O-CG 3.36Å; N250-K254 PolarHBondContact O-N 3.47Å
251K90.3Very high85.2Confident73 Ų7374.2 Ų74.232%0.31738%0.378SS..Hα-helixtrans-66.2-44.2173.2-72.6174.3-171.3-60.90111.6N48 S247 F248 C249 K253 K254 I255N48-K251 PolarHBondContact OD1-NZ 3.4Å; S247-K251 WeakPolarHBondContact O-CG 3.31Å; S247-K251 PolarHBondContact O-N 3.13Å; F248-K251 WeakPolarHBondContact O-CB 3.39Å; F248-K251 PolarHBondContact O-N 3.47Å; C249-K251 PolarHBondContact O-N 3.34Å; K251-K253 VanDerWaalsContact C-N 3.3Å; K251-K253 PolarHBondContact O-N 2.98Å; K251-K254 PolarHBondContact O-N 3.46Å; K251-I255 WeakPolarHBondContact O-CG1 3.44Å; K251-I255 PolarHBondContact O-N 2.85Å
252V88.1Confident86.5Confident25 Ų2576.7 Ų76.715%0.15240%0.395CS..Hα-helixtrans-61.2-39.9175.4175.80000111.2F248 C249 I255 R256 F387F248-V252 HydrophobicContact CD1-CG2 4.37Å; F248-V252 HydrophobicContact CE1-CG2 3.93Å; F248-V252 HydrophobicContact CE2-CG2 4.09Å; F248-V252 HydrophobicContact CZ-CG2 3.77Å; F248-V252 WeakPolarHBondContact O-CG2 3.36Å; F248-V252 PolarHBondContact O-N 3.04Å; C249-V252 PolarHBondContact O-N 3.41Å; V252-I255 WeakPolarHBondContact O-CB 3.32Å; V252-I255 PolarHBondContact O-N 3.44Å; V252-R256 PolarHBondContact O-N 3.46Å; V252-F387 HydrophobicContact CB-CD1 3.94Å; V252-F387 HydrophobicContact CB-CE1 3.97Å; V252-F387 HydrophobicContact CB-CG 4.27Å; V252-F387 HydrophobicContact CB-CZ 4.32Å; V252-F387 HydrophobicContact CG1-CB 4.44Å; V252-F387 HydrophobicContact CG1-CD1 3.91Å; V252-F387 HydrophobicContact CG1-CD2 3.72Å; V252-F387 HydrophobicContact CG1-CE1 4.05Å; V252-F387 HydrophobicContact CG1-CE2 3.85Å; V252-F387 HydrophobicContact CG1-CG 3.74Å; V252-F387 HydrophobicContact CG1-CZ 4.01Å; V252-F387 HydrophobicContact CG2-CD1 4.36Å; V252-F387 HydrophobicContact CG2-CE1 3.87Å; V252-F387 HydrophobicContact CG2-CZ 4.02Å
253K87.6Confident87.2Confident115 Ų11574.8 Ų74.850%0.539%0.385SS..Hα-helixtrans-60-49173.5-164.9-171.1-177.2-130.20111.7C249 N250 K251 I255 R256 E257C249-K253 PolarHBondContact O-N 2.93Å; N250-K253 PolarHBondContact O-N 2.8Å; K251-K253 VanDerWaalsContact C-N 3.3Å; K251-K253 PolarHBondContact O-N 2.98Å; K253-I255 VanDerWaalsContact C-N 3.28Å; K253-I255 PolarHBondContact O-N 2.92Å; K253-R256 WeakPolarHBondContact O-CB 3.43Å; K253-R256 PolarHBondContact O-N 3.31Å; K253-R256 VanDerWaalsContact O-N 3.09Å; K253-E257 WeakPolarHBondContact CE-OE1 3.21Å; K253-E257 HydrophobicContact CG-CG 4.48Å; K253-E257 IonicContact NZ-OE1 3.9Å; K253-E257 PolarHBondContact NZ-OE1 2.81Å; K253-E257 WeakPolarHBondContact O-CG 3.32Å; K253-E257 PolarHBondContact O-N 3.19Å
254K90.9Very high87.3Confident106 Ų10670.2 Ų70.246%0.46137%0.368SS..Hα-helixtrans-58.2-36.8175.2-75.1-173.8172.5-160.70113.1I47 N250 K251 E257 S258I47-K254 HydrophobicContact CG2-CB 4.19Å; I47-K254 HydrophobicContact CG2-CD 4.06Å; N250-K254 WeakPolarHBondContact O-CG 3.36Å; N250-K254 PolarHBondContact O-N 3.47Å; K251-K254 PolarHBondContact O-N 3.46Å; K254-E257 PolarHBondContact O-N 3.22Å; K254-S258 VanDerWaalsContact O-CB 3.32Å; K254-S258 WeakPolarHBondContact O-CB 3.41Å; K254-S258 PolarHBondContact O-N 2.96Å; K254-S258 PolarHBondContact O-OG 2.93Å
255I90.4Very high87.4Confident58 Ų5871 Ų7130%0.29737%0.372SS..Hα-helixtrans-61.9-48.6174.1-67.3166.8000110.2L43 I47 K251 V252 K253 E257 S258 Y259L43-I255 HydrophobicContact CD2-CD1 4.5Å; I47-I255 HydrophobicContact CD1-CD1 4.1Å; I47-I255 HydrophobicContact CD1-CG1 3.37Å; K251-I255 WeakPolarHBondContact O-CG1 3.44Å; K251-I255 PolarHBondContact O-N 2.85Å; V252-I255 WeakPolarHBondContact O-CB 3.32Å; V252-I255 PolarHBondContact O-N 3.44Å; K253-I255 VanDerWaalsContact C-N 3.28Å; K253-I255 PolarHBondContact O-N 2.92Å; I255-E257 VanDerWaalsContact C-N 3.34Å; I255-E257 PolarHBondContact O-N 3.4Å; I255-S258 PolarHBondContact O-N 3.17Å; I255-Y259 HydrophobicContact CG2-CD2 4.19Å; I255-Y259 WeakPolarHBondContact O-CD2 3.22Å; I255-Y259 PolarHBondContact O-N 3.07Å
256R89.1Confident87.6Confident45 Ų4572.1 Ų72.117%0.1738%0.382CS..Hα-helixtrans-61.4-40.7177.5-68.3174.4173.9-165-11112.4V252 K253 Y259 D382 S385V252-R256 PolarHBondContact O-N 3.46Å; K253-R256 WeakPolarHBondContact O-CB 3.43Å; K253-R256 PolarHBondContact O-N 3.31Å; K253-R256 VanDerWaalsContact O-N 3.09Å; R256-Y259 CarbonylContact O-C 3.46Å; R256-D382 PolarHBondContact NH1-O 3.37Å; R256-S385 PolarHBondContact NH1-O 3.29Å; R256-S385 PolarHBondContact NH1-OG 2.93Å
257E88.5Confident88Confident115 Ų11570.9 Ų70.954%0.53737%0.37SS..Hα-helixtrans-66.9-33.9176.4-70166.9166.600112.7K253 K254 I255K253-E257 WeakPolarHBondContact CE-OE1 3.21Å; K253-E257 HydrophobicContact CG-CG 4.48Å; K253-E257 IonicContact NZ-OE1 3.9Å; K253-E257 PolarHBondContact NZ-OE1 2.81Å; K253-E257 WeakPolarHBondContact O-CG 3.32Å; K253-E257 PolarHBondContact O-N 3.19Å; K254-E257 PolarHBondContact O-N 3.22Å; I255-E257 VanDerWaalsContact C-N 3.34Å; I255-E257 PolarHBondContact O-N 3.4Å
258S91.8Very high88.2Confident78 Ų7869.1 Ų69.155%0.54536%0.358SS..Hα-helixtrans-83.6-30.3-178.9-53.30000113.4K254 I255K254-S258 VanDerWaalsContact O-CB 3.32Å; K254-S258 WeakPolarHBondContact O-CB 3.41Å; K254-S258 PolarHBondContact O-N 2.96Å; K254-S258 PolarHBondContact O-OG 2.93Å; I255-S258 PolarHBondContact O-N 3.17Å
259Y91Very high88.4Confident71 Ų7165.7 Ų65.728%0.27835%0.348SS..SBendtrans-124.788.8-178.8-57.5-79.4000108.2L43 I255 R256 R378L43-Y259 HydrophobicContact CD1-CE2 3.54Å; L43-Y259 VanDerWaalsContact CD1-OH 3.28Å; L43-Y259 WeakPolarHBondContact CD1-OH 3.24Å; I255-Y259 HydrophobicContact CG2-CD2 4.19Å; I255-Y259 WeakPolarHBondContact O-CD2 3.22Å; I255-Y259 PolarHBondContact O-N 3.07Å; R256-Y259 CarbonylContact O-C 3.46Å; Y259-R378 PolarHBondContact O-NH1 3.23Å; Y259-R378 PolarHBondContact O-NH2 2.94Å
260H90.7Very high88.7Confident78 Ų7866.7 Ų66.736%0.36135%0.35SS..  trans-71.6146.5-176.1-164.2-112.4000111.8S262 D263 D383H260-S262 PolarHBondContact ND1-N 2.77Å; H260-S262 PolarHBondContact ND1-OG 2.86Å; H260-S262 PolarHBondContact O-N 3.42Å; H260-S262 VanDerWaalsContact O-N 3.1Å; H260-D263 PolarHBondContact O-N 2.98Å; H260-D383 IonicContact CD2-OD2 3.71Å; H260-D383 PolarHBondContact CD2-OD2 3.14Å; H260-D383 IonicContact CG-OD2 2.69Å; H260-D383 IonicContact NE2-OD2 3.78Å
261A90.6Very high89Confident13 Ų1365.1 Ų65.111%0.10734%0.341CS..THydrogen-bonded Turntrans-61.4-20.9-179.200000113.6N267 R378 K379 D383A261-N267 WeakPolarHBondContact CA-ND2 3.45Å; A261-N267 PolarHBondContact O-ND2 2.94Å; A261-R378 HydrophobicContact CB-CB 3.91Å; A261-K379 WeakPolarHBondContact CB-O 3.27Å; A261-D383 VanDerWaalsContact CB-OD2 3.32Å; A261-D383 WeakPolarHBondContact CB-OD2 3.48Å; A261-D383 PolarHBondContact N-OD2 2.99Å
262S88.3Confident89.2Confident90 Ų9066.7 Ų66.763%0.62935%0.345SS*.THydrogen-bonded Turntrans-79-14.4173.669.70000114.5H260 I264H260-S262 PolarHBondContact ND1-N 2.77Å; H260-S262 PolarHBondContact ND1-OG 2.86Å; H260-S262 PolarHBondContact O-N 3.42Å; H260-S262 VanDerWaalsContact O-N 3.1Å; S262-I264 PolarHBondContact O-N 2.85Å
263D89Confident89.4Confident56 Ų5665.6 Ų65.630%0.29934%0.338SS..  trans-80.2105.5174.6169.237.3000110H260 N265 S266 N267H260-D263 PolarHBondContact O-N 2.98Å; D263-N265 PolarHBondContact O-N 2.85Å; D263-N265 WeakPolarHBondContact OD1-CB 3.44Å; D263-N265 PolarHBondContact OD1-N 3.21Å; D263-N265 PolarHBondContact OD1-ND2 2.85Å; D263-S266 PolarHBondContact O-N 3.41Å; D263-S266 WeakPolarHBondContact OD2-CB 3.26Å; D263-S266 PolarHBondContact OD2-N 2.98Å; D263-S266 PolarHBondContact OD2-OG 3.05Å; D263-N267 WeakPolarHBondContact O-CA 3.39Å; D263-N267 WeakPolarHBondContact O-CB 3.37Å; D263-N267 PolarHBondContact O-N 2.98Å
264I82.6Confident89.7Confident86 Ų8664.4 Ų64.444%0.44134%0.337SS..THydrogen-bonded Turntrans-62.5-25.2-179.3-61.6172.4000111.6S262 S268S262-I264 PolarHBondContact O-N 2.85Å; I264-S268 WeakPolarHBondContact O-CA 3.39Å; I264-S268 VanDerWaalsContact O-CB 3.3Å; I264-S268 WeakPolarHBondContact O-CB 3.34Å; I264-S268 PolarHBondContact O-N 2.75Å; I264-S268 VanDerWaalsContact O-N 3.12Å
265N84.3Confident89.8Confident145 Ų14561.1 Ų61.178%0.77533%0.325SS*.THydrogen-bonded Turntrans-71-51.1-179.1-57-67.7000111.4D263D263-N265 PolarHBondContact O-N 2.85Å; D263-N265 WeakPolarHBondContact OD1-CB 3.44Å; D263-N265 PolarHBondContact OD1-N 3.21Å; D263-N265 PolarHBondContact OD1-ND2 2.85Å
266S85.3Confident89.7Confident50 Ų5060.6 Ų60.635%0.3533%0.325SS..THydrogen-bonded Turntrans-81.6-24176.5630000114.1D263D263-S266 PolarHBondContact O-N 3.41Å; D263-S266 WeakPolarHBondContact OD2-CB 3.26Å; D263-S266 PolarHBondContact OD2-N 2.98Å; D263-S266 PolarHBondContact OD2-OG 3.05Å
267N89.8Confident89.3Confident12 Ų1263.9 Ų63.96%0.06436%0.362CS..THydrogen-bonded Turntrans-112.233-177.8-165.343.7000113.8A261 D263 G269 S377 R378A261-N267 WeakPolarHBondContact CA-ND2 3.45Å; A261-N267 PolarHBondContact O-ND2 2.94Å; D263-N267 WeakPolarHBondContact O-CA 3.39Å; D263-N267 WeakPolarHBondContact O-CB 3.37Å; D263-N267 PolarHBondContact O-N 2.98Å; N267-G269 PolarHBondContact O-N 3.32Å; N267-G269 VanDerWaalsContact O-N 3.09Å; N267-S377 WeakPolarHBondContact O-CB 3.4Å; N267-S377 PolarHBondContact O-OG 3.01Å; N267-R378 PolarHBondContact ND2-N 3.44Å; N267-R378 PolarHBondContact ND2-O 3.2Å; N267-R378 PolarHBondContact OD1-N 3.01Å
268S88.6Confident88.5Confident17 Ų1763.8 Ų63.812%0.11936%0.358CS..  trans-63.4-14.6-179.166.10000115.4I264 K270 G374 S377I264-S268 WeakPolarHBondContact O-CA 3.39Å; I264-S268 VanDerWaalsContact O-CB 3.3Å; I264-S268 WeakPolarHBondContact O-CB 3.34Å; I264-S268 PolarHBondContact O-N 2.75Å; I264-S268 VanDerWaalsContact O-N 3.12Å; S268-K270 PolarHBondContact O-N 3.07Å; S268-G374 PolarHBondContact O-N 2.93Å; S268-S377 VanDerWaalsContact C-OG 3.26Å; S268-S377 PolarHBondContact O-OG 3.38Å
269G89.4Confident87.6Confident19 Ų1963.7 Ų63.720%0.19636%0.355CS..  trans67.917.2-179.200000114.1N267 S377N267-G269 PolarHBondContact O-N 3.32Å; N267-G269 VanDerWaalsContact O-N 3.09Å; G269-S377 WeakPolarHBondContact CA-OG 3.44Å; G269-S377 PolarHBondContact N-OG 3.14Å; G269-S377 VanDerWaalsContact N-OG 3.08Å
270K90.3Very high86.6Confident46 Ų4664.2 Ų64.220%0.237%0.369CS..PPolyproline II helixtrans-95.9124.8179.1-66.7162.9-170.5166.40109.2S268 W272 L333 F342 N369 R370S268-K270 PolarHBondContact O-N 3.07Å; K270-W272 HydrophobicContact CB-CZ2 4.1Å; K270-W272 HydrophobicContact CD-CH2 4.31Å; K270-W272 HydrophobicContact CD-CZ2 4.19Å; K270-L333 HydrophobicContact CD-CD1 3.98Å; K270-F342 HydrophobicContact CB-CD2 3.99Å; K270-F342 HydrophobicContact CB-CE2 4.32Å; K270-F342 HydrophobicContact CG-CD2 4.29Å; K270-F342 HydrophobicContact CG-CE2 4.25Å; K270-N369 PolarHBondContact NZ-OD1 2.94Å; K270-R370 PolarHBondContact NZ-O 3.4Å
271I92.4Very high85.7Confident69 Ų6971.5 Ų71.535%0.35439%0.393SS..EExtended strand (participates in β ladder)trans-81.7120.2169.8-62.3172.4000107.6E340 E341 F342 L376I271-E340 HydrophobicContact CD1-CB 4.02Å; I271-E341 HydrophobicContact CG2-CG 3.92Å; I271-E341 CarbonylContact O-C 3.57Å; I271-E341 WeakPolarHBondContact O-CA 3.41Å; I271-F342 PolarHBondContact O-N 2.94Å; I271-L376 HydrophobicContact CD1-CD1 3.44Å; I271-L376 VanDerWaalsContact CD1-CD1 3.44Å; I271-L376 HydrophobicContact CG1-CD1 3.7Å
272W93.4Very high84.9Confident106 Ų10675.5 Ų75.540%0.40241%0.412SS..EExtended strand (participates in β ladder)trans-86.9131175.1-60.9111.5000111K270 I274 L333 F342 Q344K270-W272 HydrophobicContact CB-CZ2 4.1Å; K270-W272 HydrophobicContact CD-CH2 4.31Å; K270-W272 HydrophobicContact CD-CZ2 4.19Å; W272-I274 PolarHBondContact O-N 3.24Å; W272-L333 HydrophobicContact CH2-CD1 4.47Å; W272-L333 HydrophobicContact CH2-CD2 4.01Å; W272-L333 HydrophobicContact CZ3-CD2 4.12Å; W272-F342 HydrophobicContact CE3-CB 3.71Å; W272-F342 HydrophobicContact CZ3-CB 3.68Å; W272-Q344 HydrophobicContact CB-CG 3.95Å; W272-Q344 HydrophobicContact CD2-CG 4.43Å; W272-Q344 HydrophobicContact CE3-CG 4.16Å; W272-Q344 HydrophobicContact CG-CG 4.37Å
273A93.9Very high84.4Confident2 Ų271.7 Ų71.72%0.01738%0.384CS..PPolyproline II helixtrans-59.1132.817500000110.1T275 E341 F342 L343 Q344A273-T275 PolarHBondContact O-N 3.39Å; A273-E341 HydrophobicContact CB-CB 4.03Å; A273-F342 WeakPolarHBondContact CB-O 3.32Å; A273-F342 PolarHBondContact N-O 3.44Å; A273-L343 HydrophobicContact CB-CD2 4.02Å; A273-Q344 PolarHBondContact O-NE2 2.74Å
274I93.1Very high83.5Confident91 Ų9171.2 Ų71.247%0.46739%0.388SS..PPolyproline II helixtrans-65125.2-174.3-56.6172.8000110.4W272 K353W272-I274 PolarHBondContact O-N 3.24Å; I274-K353 HydrophobicContact CB-CD 4Å; I274-K353 HydrophobicContact CB-CG 4.28Å; I274-K353 HydrophobicContact CG2-CD 3.69Å; I274-K353 HydrophobicContact CG2-CG 4.14Å; I274-K353 PolarHBondContact O-N 3.48Å
275T92.6Very high83.5Confident36 Ų3674.6 Ų74.622%0.22141%0.407CS..BIsolated β-bridgetrans-98.6158.9172.552.50000111.1A273 Q344 H347 G351 H352A273-T275 PolarHBondContact O-N 3.39Å; T275-Q344 HydrophobicContact CG2-CG 4.47Å; T275-Q344 PolarHBondContact OG1-NE2 3.27Å; T275-H347 HydrophobicContact CG2-CB 3.91Å; T275-H347 VanDerWaalsContact CG2-CD2 3.43Å; T275-H347 WeakPolarHBondContact CG2-CD2 3.33Å; T275-H347 PolarHBondContact OG1-NE2 2.97Å; T275-G351 CarbonylContact C-O 3.56Å; T275-G351 VanDerWaalsContact CA-O 3.27Å; T275-G351 WeakPolarHBondContact CA-O 3.35Å; T275-H352 VanDerWaalsContact CG2-CD2 3.45Å; T275-H352 WeakPolarHBondContact CG2-CD2 3.31Å
276T89.1Confident83.7Confident47 Ų4770.4 Ų70.429%0.28839%0.387SS..  trans-132.7146175.360.80000109.7Y278 G351 K353 Q356T276-Y278 PolarHBondContact O-N 2.78Å; T276-G351 PolarHBondContact N-O 3.35Å; T276-G351 PolarHBondContact OG1-O 2.67Å; T276-K353 HydrophobicContact CG2-CD 4.3Å; T276-K353 VanDerWaalsContact CG2-CE 3.49Å; T276-K353 HydrophobicContact CG2-CG 3.79Å; T276-Q356 PolarHBondContact OG1-NE2 3.24Å
277A80.7Confident84Confident115 Ų11573.5 Ų73.595%0.9539%0.394SS*.  trans-70.970.8169.200000110.9
278Y71.4Confident84.1Confident113 Ų11374.2 Ų74.244%0.44340%0.396SS..  trans-93.2136.2178.1-164-90.6000109.8T276 S280 L282 F283T276-Y278 PolarHBondContact O-N 2.78Å; Y278-S280 PolarHBondContact O-N 3.5Å; Y278-S280 VanDerWaalsContact O-N 3.08Å; Y278-L282 HydrophobicContact CD1-CB 4.37Å; Y278-L282 HydrophobicContact CD1-CD1 4.27Å; Y278-L282 HydrophobicContact CE1-CB 3.65Å; Y278-L282 HydrophobicContact CE1-CD1 3.52Å; Y278-L282 HydrophobicContact CE1-CG 4.22Å; Y278-F283 HydrophobicContact CD1-CD1 4.12Å; Y278-F283 AromaticContact CD1-CE1 3.23Å; Y278-F283 HydrophobicContact CD1-CE1 3.23Å; Y278-F283 HydrophobicContact CD1-CE2 4.39Å; Y278-F283 AromaticContact CD1-CZ 3.39Å; Y278-F283 HydrophobicContact CD1-CZ 3.39Å; Y278-F283 HydrophobicContact CE1-CD1 4.28Å; Y278-F283 AromaticContact CE1-CE1 3.66Å; Y278-F283 HydrophobicContact CE1-CE1 3.66Å; Y278-F283 HydrophobicContact CE1-CZ 4.28Å; Y278-F283 HydrophobicContact CG-CE1 4.13Å; Y278-F283 AromaticContact CG-CZ 3.97Å; Y278-F283 HydrophobicContact CG-CZ 3.97Å
279P73.1Confident84.4Confident76 Ų7679.3 Ų79.349%0.49441%0.413SS..  trans-60.1114.8-175.4-24.633.6000112.4R281 L282P279-R281 PolarHBondContact O-N 3.01Å; P279-L282 HydrophobicContact CB-CD1 4.05Å; P279-L282 HydrophobicContact CB-CG 4.22Å; P279-L282 HydrophobicContact CG-CD1 4.1Å; P279-L282 WeakPolarHBondContact O-CB 3.41Å; P279-L282 PolarHBondContact O-N 2.66Å
280S70.6Confident84.7Confident81 Ų8178.4 Ų78.457%0.56640%0.404SS*.G310 helixtrans-59.3-22.8-177.156.30000114.1Y278 L282 F283Y278-S280 PolarHBondContact O-N 3.5Å; Y278-S280 VanDerWaalsContact O-N 3.08Å; S280-L282 PolarHBondContact O-N 3.12Å; S280-F283 WeakPolarHBondContact O-CB 3.44Å; S280-F283 PolarHBondContact O-N 3.28Å; S280-F283 VanDerWaalsContact O-N 3.08Å
281R70.8Confident85Confident232 Ų23279.8 Ų79.888%0.87541%0.41SS*.G310 helixtrans-60.9-27.8173.3-61.7-175.4-177-170.40.7113.2P279 F283P279-R281 PolarHBondContact O-N 3.01Å; R281-F283 PolarHBondContact O-N 2.95Å
282L74.6Confident85.1Confident97 Ų9776.5 Ų76.551%0.50839%0.393SS..G310 helixtrans-78-7.3177.5-61.2173.6000112.8Y278 P279 S280Y278-L282 HydrophobicContact CD1-CB 4.37Å; Y278-L282 HydrophobicContact CD1-CD1 4.27Å; Y278-L282 HydrophobicContact CE1-CB 3.65Å; Y278-L282 HydrophobicContact CE1-CD1 3.52Å; Y278-L282 HydrophobicContact CE1-CG 4.22Å; P279-L282 HydrophobicContact CB-CD1 4.05Å; P279-L282 HydrophobicContact CB-CG 4.22Å; P279-L282 HydrophobicContact CG-CD1 4.1Å; P279-L282 WeakPolarHBondContact O-CB 3.41Å; P279-L282 PolarHBondContact O-N 2.66Å; S280-L282 PolarHBondContact O-N 3.12Å
283F77.3Confident85.1Confident10 Ų1073.3 Ų73.34%0.04439%0.387CS..G310 helixtrans-93.7-14.4-177.8-64.2-28.6000115Y278 S280 R281 D285 T286 A307 N308 S348 G350Y278-F283 HydrophobicContact CD1-CD1 4.12Å; Y278-F283 AromaticContact CD1-CE1 3.23Å; Y278-F283 HydrophobicContact CD1-CE1 3.23Å; Y278-F283 HydrophobicContact CD1-CE2 4.39Å; Y278-F283 AromaticContact CD1-CZ 3.39Å; Y278-F283 HydrophobicContact CD1-CZ 3.39Å; Y278-F283 HydrophobicContact CE1-CD1 4.28Å; Y278-F283 AromaticContact CE1-CE1 3.66Å; Y278-F283 HydrophobicContact CE1-CE1 3.66Å; Y278-F283 HydrophobicContact CE1-CZ 4.28Å; Y278-F283 HydrophobicContact CG-CE1 4.13Å; Y278-F283 AromaticContact CG-CZ 3.97Å; Y278-F283 HydrophobicContact CG-CZ 3.97Å; S280-F283 WeakPolarHBondContact O-CB 3.44Å; S280-F283 PolarHBondContact O-N 3.28Å; S280-F283 VanDerWaalsContact O-N 3.08Å; R281-F283 PolarHBondContact O-N 2.95Å; F283-D285 PolarHBondContact O-N 3.44Å; F283-T286 PolarHBondContact O-N 3.44Å; F283-A307 HydrophobicContact CB-CB 3.62Å; F283-A307 HydrophobicContact CD1-CB 3.79Å; F283-A307 HydrophobicContact CG-CB 3.82Å; F283-N308 HydrophobicContact CB-CB 4.04Å; F283-S348 WeakPolarHBondContact CE2-OG 3.34Å; F283-G350 VanDerWaalsContact CZ-O 3.23Å; F283-G350 WeakPolarHBondContact CZ-O 3.41Å
284A70.9Confident84.8Confident45 Ų4574.6 Ų74.637%0.37239%0.393SS..THydrogen-bonded Turntrans-53.8-48.8-168.800000113.2H306A284-H306 PolarHBondContact O-ND1 2.93Å
285D81.5Confident84.1Confident157 Ų15773.2 Ų73.284%0.8439%0.387SS*.THydrogen-bonded Turntrans-95.3-4.1-176.5-55.7-54.8000113.8F283F283-D285 PolarHBondContact O-N 3.44Å
286T88.3Confident82.9Confident58 Ų5879.8 Ų79.836%0.35642%0.421SS..  trans-83.9125.3179.9-62.10000110F283 F288 H306 A307F283-T286 PolarHBondContact O-N 3.44Å; T286-F288 HydrophobicContact CG2-CD1 4.46Å; T286-F288 HydrophobicContact CG2-CE1 3.91Å; T286-F288 HydrophobicContact CG2-CZ 4.04Å; T286-H306 CarbonylContact O-C 3.52Å; T286-H306 WeakPolarHBondContact O-CA 3.47Å; T286-A307 HydrophobicContact CG2-CB 3.91Å; T286-A307 PolarHBondContact O-N 3.45Å
287K92.1Very high82Confident114 Ų11480.1 Ų80.150%0.49643%0.425SS..BIsolated β-bridgetrans-115135.9172-66.8-173.8176.5-164.70110.9M304 P305 H306K287-M304 HydrophobicContact CB-CE 4.14Å; K287-P305 WeakPolarHBondContact CA-O 3.34Å; K287-H306 WeakPolarHBondContact CE-CE1 3.41Å; K287-H306 WeakPolarHBondContact CE-NE2 3.44Å; K287-H306 PolarHBondContact NZ-NE2 2.94Å
288F92.8Very high81.5Confident27 Ų2780 Ų8012%0.11842%0.423CS..  trans-98.4137.1176-62.3-58.8000110.9T286 V290 M304 P305 A307 L349 F355T286-F288 HydrophobicContact CG2-CD1 4.46Å; T286-F288 HydrophobicContact CG2-CE1 3.91Å; T286-F288 HydrophobicContact CG2-CZ 4.04Å; F288-V290 HydrophobicContact CB-CG2 3.93Å; F288-V290 PolarHBondContact O-N 2.81Å; F288-M304 CarbonylContact O-C 3.57Å; F288-M304 VanDerWaalsContact O-CA 3.29Å; F288-M304 WeakPolarHBondContact O-CA 3.31Å; F288-P305 PolarHBondContact N-O 3.02Å; F288-P305 WeakPolarHBondContact O-CD 3.44Å; F288-A307 HydrophobicContact CD2-CB 4.01Å; F288-A307 VanDerWaalsContact CE2-CA 3.46Å; F288-A307 HydrophobicContact CE2-CB 3.23Å; F288-A307 HydrophobicContact CZ-CB 3.62Å; F288-L349 HydrophobicContact CD2-CB 4.04Å; F288-L349 HydrophobicContact CE2-CB 4.05Å; F288-F355 HydrophobicContact CB-CD1 3.95Å; F288-F355 HydrophobicContact CB-CE1 4.09Å; F288-F355 HydrophobicContact CD1-CB 4.47Å; F288-F355 AromaticContact CD1-CD1 3.93Å; F288-F355 HydrophobicContact CD1-CD1 3.93Å; F288-F355 HydrophobicContact CD2-CB 4.41Å; F288-F355 AromaticContact CD2-CD1 3.32Å; F288-F355 HydrophobicContact CD2-CD1 3.32Å; F288-F355 AromaticContact CD2-CE1 3.89Å; F288-F355 HydrophobicContact CD2-CE1 3.89Å; F288-F355 HydrophobicContact CD2-CG 4.19Å; F288-F355 HydrophobicContact CE1-CB 3.99Å; F288-F355 HydrophobicContact CE1-CD1 4.25Å; F288-F355 WeakPolarHBondContact CE1-O 3.48Å; F288-F355 HydrophobicContact CE2-CB 3.87Å; F288-F355 AromaticContact CE2-CD1 3.64Å; F288-F355 HydrophobicContact CE2-CD1 3.64Å; F288-F355 HydrophobicContact CE2-CG 4.05Å; F288-F355 AromaticContact CG-CD1 3.46Å; F288-F355 HydrophobicContact CG-CD1 3.46Å; F288-F355 VanDerWaalsContact CG-CD1 3.46Å; F288-F355 HydrophobicContact CG-CE1 4.06Å; F288-F355 HydrophobicContact CZ-CB 3.67Å; F288-F355 HydrophobicContact CZ-CD1 4.13Å; F288-F355 HydrophobicContact CZ-CG 4.33Å
289R94.8Very high81.8Confident124 Ų12478.9 Ų78.947%0.46842%0.422SS..  trans-85.3106.5170.1-177.9166.6-88.7-127.7-5.1109.2L302 M304 V361 I362R289-L302 HydrophobicContact CG-CD1 3.79Å; R289-M304 HydrophobicContact CB-CE 4.09Å; R289-M304 HydrophobicContact CB-SD 3.66Å; R289-M304 HydrophobicContact CG-SD 3.81Å; R289-V361 HydrophobicContact CG-CG1 4.24Å; R289-V361 HydrophobicContact CG-CG2 3.99Å; R289-V361 WeakPolarHBondContact O-CA 3.48Å; R289-I362 PolarHBondContact O-N 3.02Å
290V95.8Very high82.5Confident0 Ų080 Ų800%042%0.424CS..EExtended strand (participates in β ladder)trans-114.5124.6-174-172.70000110.1F288 I292 L302 L303 P305 F355 I362 L364F288-V290 HydrophobicContact CB-CG2 3.93Å; F288-V290 PolarHBondContact O-N 2.81Å; V290-I292 HydrophobicContact CB-CD1 4.46Å; V290-I292 HydrophobicContact CG1-CD1 3.88Å; V290-I292 HydrophobicContact CG1-CG1 4Å; V290-L302 WeakPolarHBondContact O-CA 3.5Å; V290-L303 PolarHBondContact N-O 2.58Å; V290-L303 PolarHBondContact O-N 2.84Å; V290-P305 HydrophobicContact CB-CG 4.48Å; V290-P305 HydrophobicContact CG2-CG 3.79Å; V290-F355 HydrophobicContact CG2-CE1 3.98Å; V290-I362 CarbonylContact C-O 3.45Å; V290-I362 WeakPolarHBondContact CA-O 3.33Å; V290-L364 HydrophobicContact CG1-CB 4.49Å; V290-L364 HydrophobicContact CG1-CD1 3.63Å; V290-L364 HydrophobicContact CG1-CG 3.86Å
291K95.3Very high83.5Confident75 Ų7577.2 Ų77.233%0.32640%0.402SS..EExtended strand (participates in β ladder)trans-96.4126.4167.1-79.2179171.4-167.90108.6L300 L301 L302 V361 I362 Q363 L364K291-L300 HydrophobicContact CB-CD1 4.35Å; K291-L300 HydrophobicContact CD-CD2 4.09Å; K291-L300 HydrophobicContact CG-CD2 4.37Å; K291-L301 CarbonylContact C-O 3.55Å; K291-L301 VanDerWaalsContact CA-O 3.31Å; K291-L301 WeakPolarHBondContact CA-O 3.27Å; K291-L302 HydrophobicContact CG-CD1 3.75Å; K291-V361 HydrophobicContact CB-CG1 4.25Å; K291-V361 HydrophobicContact CD-CG1 3.78Å; K291-V361 HydrophobicContact CG-CG1 3.73Å; K291-I362 PolarHBondContact N-O 3.12Å; K291-Q363 HydrophobicContact CB-CG 4.19Å; K291-Q363 HydrophobicContact CD-CG 4.46Å; K291-Q363 WeakPolarHBondContact O-CA 3.3Å; K291-L364 PolarHBondContact O-N 2.93Å
292I95.6Very high84.6Confident0 Ų070.4 Ų70.40%038%0.383CS..EExtended strand (participates in β ladder)trans-113.6119.4176.2-63.2113.6000109.3V290 I294 L300 L301 L303 I318 L364 L366V290-I292 HydrophobicContact CB-CD1 4.46Å; V290-I292 HydrophobicContact CG1-CD1 3.88Å; V290-I292 HydrophobicContact CG1-CG1 4Å; I292-I294 HydrophobicContact CG2-CG1 4.06Å; I292-L300 WeakPolarHBondContact O-CA 3.22Å; I292-L301 HydrophobicContact CB-CB 4.33Å; I292-L301 PolarHBondContact N-O 2.97Å; I292-L301 PolarHBondContact O-N 2.95Å; I292-L303 HydrophobicContact CD1-CB 4.17Å; I292-L303 HydrophobicContact CD1-CD1 3.65Å; I292-L303 HydrophobicContact CD1-CG 3.81Å; I292-I318 HydrophobicContact CB-CD1 4.47Å; I292-I318 HydrophobicContact CD1-CD1 3.85Å; I292-I318 HydrophobicContact CD1-CG1 4.09Å; I292-I318 HydrophobicContact CG1-CD1 3.82Å; I292-I318 HydrophobicContact CG1-CG1 4.45Å; I292-I318 HydrophobicContact CG2-CD1 4.05Å; I292-I318 HydrophobicContact CG2-CG2 4.28Å; I292-L364 WeakPolarHBondContact CA-O 3.46Å; I292-L364 HydrophobicContact CG1-CB 4.41Å; I292-L366 HydrophobicContact CG2-CB 4.12Å
293S92.4Very high85.6Confident39 Ų3966.7 Ų66.727%0.27336%0.363SS..EExtended strand (participates in β ladder)trans-90.3153.3161470000110.1L364 H365 L366S293-L364 PolarHBondContact N-O 2.88Å; S293-L364 PolarHBondContact OG-O 2.9Å; S293-H365 WeakPolarHBondContact O-CA 3.28Å; S293-H365 PolarHBondContact OG-CD2 3.38Å; S293-L366 PolarHBondContact O-N 3.31Å
294I88.9Confident86.4Confident29 Ų2970.2 Ų70.215%0.14938%0.381CS..EExtended strand (participates in β ladder)trans-132.1135.6-173.7-57.4168.6000108.5I292 N296 S297 L301 I318 C322 L366I292-I294 HydrophobicContact CG2-CG1 4.06Å; I294-N296 PolarHBondContact O-N 2.7Å; I294-S297 PolarHBondContact O-N 3.28Å; I294-S297 VanDerWaalsContact O-N 3.16Å; I294-L301 HydrophobicContact CD1-CD1 4.27Å; I294-L301 HydrophobicContact CD1-CG 4.4Å; I294-I318 HydrophobicContact CD1-CG2 4.25Å; I294-C322 HydrophobicContact CD1-CB 4.37Å; I294-C322 WeakPolarHBondContact CD1-SG 3.3Å; I294-L366 HydrophobicContact CG1-CB 4.32Å; I294-L366 HydrophobicContact CG2-CD2 4.48Å
295D77.9Confident87.6Confident63 Ų6368.3 Ų68.334%0.33737%0.365SS..THydrogen-bonded Turntrans-44.8128.8174.5-88.8-34.9000111.7S297 H365 L366 Q367D295-S297 VanDerWaalsContact C-N 3.26Å; D295-S297 PolarHBondContact O-N 2.81Å; D295-H365 IonicContact OD1-CE1 2.67Å; D295-H365 PolarHBondContact OD1-CE1 2.89Å; D295-H365 IonicContact OD1-NE2 3.22Å; D295-H365 PolarHBondContact OD1-NE2 3.36Å; D295-L366 PolarHBondContact N-O 2.91Å; D295-Q367 VanDerWaalsContact OD2-CA 3.28Å; D295-Q367 WeakPolarHBondContact OD2-CA 3.35Å; D295-Q367 WeakPolarHBondContact OD2-CB 3.41Å
296N66.4Low88.1Confident174 Ų17463.8 Ų63.893%0.9334%0.338SS*.THydrogen-bonded Turntrans63.614176.7-45.6-61.7000116.8I294I294-N296 PolarHBondContact O-N 2.7Å
297S70.5Confident88.2Confident54 Ų5461 Ų6138%0.37832%0.322SS..  trans-122.7139.8175.4-168.50000112.6I294 D295 Q299I294-S297 PolarHBondContact O-N 3.28Å; I294-S297 VanDerWaalsContact O-N 3.16Å; D295-S297 VanDerWaalsContact C-N 3.26Å; D295-S297 PolarHBondContact O-N 2.81Å; S297-Q299 PolarHBondContact O-N 3.3Å; S297-Q299 WeakPolarHBondContact OG-CB 3.12Å; S297-Q299 PolarHBondContact OG-N 3.39Å
298A71.3Confident88.2Confident111 Ų11159.4 Ų59.492%0.91732%0.319SS*.  trans-75.1-5.1165.900000112.4L300A298-L300 PolarHBondContact O-N 3.1Å
299Q77.4Confident88.2Confident90 Ų9061.8 Ų61.842%0.42133%0.327SS..  trans-69.9124.3178.5-169.1176.715.800110.7S297 L301S297-Q299 PolarHBondContact O-N 3.3Å; S297-Q299 WeakPolarHBondContact OG-CB 3.12Å; S297-Q299 PolarHBondContact OG-N 3.39Å; Q299-L301 HydrophobicContact CG-CD2 4.17Å
300L86.8Confident88.2Confident100 Ų10058.2 Ų58.252%0.52432%0.317SS..EExtended strand (participates in β ladder)trans-112.9111.2172.9-173.578000108.2K291 I292 A298K291-L300 HydrophobicContact CB-CD1 4.35Å; K291-L300 HydrophobicContact CD-CD2 4.09Å; K291-L300 HydrophobicContact CG-CD2 4.37Å; I292-L300 WeakPolarHBondContact O-CA 3.22Å; A298-L300 PolarHBondContact O-N 3.1Å
301L92.1Very high88.2Confident23 Ų2358.2 Ų58.212%0.1232%0.317CS..EExtended strand (participates in β ladder)trans-81.8141.6174.5-61.3-177.4000110.3K291 I292 I294 Q299 I318 L321K291-L301 CarbonylContact C-O 3.55Å; K291-L301 VanDerWaalsContact CA-O 3.31Å; K291-L301 WeakPolarHBondContact CA-O 3.27Å; I292-L301 HydrophobicContact CB-CB 4.33Å; I292-L301 PolarHBondContact N-O 2.97Å; I292-L301 PolarHBondContact O-N 2.95Å; I294-L301 HydrophobicContact CD1-CD1 4.27Å; I294-L301 HydrophobicContact CD1-CG 4.4Å; Q299-L301 HydrophobicContact CG-CD2 4.17Å; L301-I318 HydrophobicContact CD1-CG2 3.99Å; L301-L321 HydrophobicContact CD1-CB 4.31Å; L301-L321 HydrophobicContact CD1-CD1 4.35Å
302L94.2Very high88.2Confident88 Ų8858 Ų5846%0.46132%0.316SS..EExtended strand (participates in β ladder)trans-117.8103172-178.970.1000108.5R289 V290 K291R289-L302 HydrophobicContact CG-CD1 3.79Å; V290-L302 WeakPolarHBondContact O-CA 3.5Å; K291-L302 HydrophobicContact CG-CD1 3.75Å
303L95.1Very high88.1Confident20 Ų2061.5 Ų61.511%0.10534%0.335CS..EExtended strand (participates in β ladder)trans-106.5157179.8-57.3-175.1000111V290 I292 L314 I318 L321V290-L303 PolarHBondContact N-O 2.58Å; V290-L303 PolarHBondContact O-N 2.84Å; I292-L303 HydrophobicContact CD1-CB 4.17Å; I292-L303 HydrophobicContact CD1-CD1 3.65Å; I292-L303 HydrophobicContact CD1-CG 3.81Å; L303-L314 HydrophobicContact CD1-CD1 3.84Å; L303-I318 HydrophobicContact CD1-CG1 3.84Å; L303-L321 HydrophobicContact CD1-CD1 4.39Å; L303-L321 HydrophobicContact CD2-CD1 3.84Å
304M95.1Very high88.2Confident83 Ų8359.6 Ų59.641%0.40932%0.322SS..  trans-122.952.3177.5-65.3-65.9-46.500111.8K287 F288 R289K287-M304 HydrophobicContact CB-CE 4.14Å; F288-M304 CarbonylContact O-C 3.57Å; F288-M304 VanDerWaalsContact O-CA 3.29Å; F288-M304 WeakPolarHBondContact O-CA 3.31Å; R289-M304 HydrophobicContact CB-CE 4.09Å; R289-M304 HydrophobicContact CB-SD 3.66Å; R289-M304 HydrophobicContact CG-SD 3.81Å
305P94.6Very high88.5Confident6 Ų658.2 Ų58.24%0.03932%0.315CS..  trans-62.6148.4-175.628.5-37.4000112K287 F288 V290 Y309 L314 L349K287-P305 WeakPolarHBondContact CA-O 3.34Å; F288-P305 PolarHBondContact N-O 3.02Å; F288-P305 WeakPolarHBondContact O-CD 3.44Å; V290-P305 HydrophobicContact CB-CG 4.48Å; V290-P305 HydrophobicContact CG2-CG 3.79Å; P305-Y309 HydrophobicContact CB-CD1 4.02Å; P305-Y309 HydrophobicContact CB-CE1 4.46Å; P305-Y309 HydrophobicContact CB-CG 4.17Å; P305-L314 HydrophobicContact CB-CD1 4.31Å; P305-L314 HydrophobicContact CG-CD1 4.23Å; P305-L349 HydrophobicContact CB-CD1 3.67Å; P305-L349 HydrophobicContact CG-CD1 3.53Å
306H92Very high89.2Confident61 Ų6157.1 Ų57.128%0.28231%0.314SS..BIsolated β-bridgetrans-69.2152.2171.6-73.7-107000110.6A284 T286 K287 N308 Y309A284-H306 PolarHBondContact O-ND1 2.93Å; T286-H306 CarbonylContact O-C 3.52Å; T286-H306 WeakPolarHBondContact O-CA 3.47Å; K287-H306 WeakPolarHBondContact CE-CE1 3.41Å; K287-H306 WeakPolarHBondContact CE-NE2 3.44Å; K287-H306 PolarHBondContact NZ-NE2 2.94Å; H306-N308 WeakPolarHBondContact CB-OD1 3.34Å; H306-N308 PolarHBondContact O-N 2.92Å; H306-N308 VanDerWaalsContact O-N 3.16Å; H306-Y309 HydrophobicContact CB-CD2 4.17Å; H306-Y309 WeakPolarHBondContact O-CB 3.49Å; H306-Y309 PolarHBondContact O-N 3.33Å; H306-Y309 VanDerWaalsContact O-N 3.14Å
307A91.6Very high90.4Very high0 Ų051.9 Ų51.90%028%0.284CS..THydrogen-bonded Turntrans-67.8-16.9-176.100000113.9F283 T286 F288 G350F283-A307 HydrophobicContact CB-CB 3.62Å; F283-A307 HydrophobicContact CD1-CB 3.79Å; F283-A307 HydrophobicContact CG-CB 3.82Å; T286-A307 HydrophobicContact CG2-CB 3.91Å; T286-A307 PolarHBondContact O-N 3.45Å; F288-A307 HydrophobicContact CD2-CB 4.01Å; F288-A307 VanDerWaalsContact CE2-CA 3.46Å; F288-A307 HydrophobicContact CE2-CB 3.23Å; F288-A307 HydrophobicContact CZ-CB 3.62Å; A307-G350 PolarHBondContact O-N 3.49Å
308N91.4Very high91.4Very high81 Ų8149.3 Ų49.343%0.43327%0.266SS..THydrogen-bonded Turntrans-85.8-8.9175.867-21.2000114.3F283 H306 L310F283-N308 HydrophobicContact CB-CB 4.04Å; H306-N308 WeakPolarHBondContact CB-OD1 3.34Å; H306-N308 PolarHBondContact O-N 2.92Å; H306-N308 VanDerWaalsContact O-N 3.16Å; N308-L310 PolarHBondContact O-N 3.12Å
309Y92.8Very high92.3Very high76 Ų7644.4 Ų44.430%0.29823%0.225SC..  trans-55.2136.7174.4-99.6-131.4000111P305 H306 D313 L314 E317 S348 L349P305-Y309 HydrophobicContact CB-CD1 4.02Å; P305-Y309 HydrophobicContact CB-CE1 4.46Å; P305-Y309 HydrophobicContact CB-CG 4.17Å; H306-Y309 HydrophobicContact CB-CD2 4.17Å; H306-Y309 WeakPolarHBondContact O-CB 3.49Å; H306-Y309 PolarHBondContact O-N 3.33Å; H306-Y309 VanDerWaalsContact O-N 3.14Å; Y309-D313 HydrophobicContact CD1-CB 4.47Å; Y309-L314 HydrophobicContact CD1-CB 4.4Å; Y309-E317 VanDerWaalsContact CE1-OE2 3.24Å; Y309-E317 WeakPolarHBondContact CE1-OE2 3.21Å; Y309-E317 PolarHBondContact OH-OE2 3.49Å; Y309-S348 CarbonylContact O-C 3.47Å; Y309-S348 WeakPolarHBondContact O-CA 3.34Å; Y309-L349 PolarHBondContact O-N 3.22Å
310L94.4Very high92.9Very high49 Ų4946 Ų4626%0.25724%0.236SC..BIsolated β-bridgetrans-78.4151167.8-51.4176.4000109.8N308 K312 D313 L314 H347N308-L310 PolarHBondContact O-N 3.12Å; L310-K312 VanDerWaalsContact C-N 3.26Å; L310-K312 HydrophobicContact CB-CG 4.07Å; L310-K312 VanDerWaalsContact CD1-CE 3.44Å; L310-K312 PolarHBondContact O-N 3.31Å; L310-D313 VanDerWaalsContact CB-OD2 3.24Å; L310-D313 WeakPolarHBondContact CB-OD2 3.37Å; L310-D313 WeakPolarHBondContact CG-OD2 3.48Å; L310-D313 PolarHBondContact N-OD2 3.42Å; L310-D313 PolarHBondContact O-N 3.16Å; L310-L314 PolarHBondContact O-N 2.83Å; L310-L314 VanDerWaalsContact O-N 3.11Å; L310-H347 WeakPolarHBondContact CA-O 3.44Å
311V96Very high92.9Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-59.1-39179.4168.40000111.4D313 L314 I315 L334 L343 Q344 M345 H347 L349V311-D313 VanDerWaalsContact C-N 3.32Å; V311-D313 PolarHBondContact O-N 3.36Å; V311-L314 PolarHBondContact O-N 2.96Å; V311-I315 HydrophobicContact CG1-CD1 4.03Å; V311-I315 WeakPolarHBondContact O-CG1 3.28Å; V311-I315 PolarHBondContact O-N 3.29Å; V311-L334 HydrophobicContact CG1-CD1 4.32Å; V311-L343 HydrophobicContact CB-CB 4.41Å; V311-L343 HydrophobicContact CG1-CB 3.77Å; V311-L343 HydrophobicContact CG2-CB 3.7Å; V311-L343 HydrophobicContact CG2-CD1 4.19Å; V311-Q344 WeakPolarHBondContact CB-O 3.43Å; V311-Q344 WeakPolarHBondContact CG2-O 3.21Å; V311-M345 PolarHBondContact N-O 3.36Å; V311-H347 PolarHBondContact N-O 3.31Å; V311-H347 VanDerWaalsContact N-O 3.11Å; V311-L349 HydrophobicContact CG2-CD2 3.91Å
312K95.3Very high92.3Very high72 Ų7246.5 Ų46.531%0.31324%0.241SC..Hα-helixtrans-63-33.3174.866.5-170.2176.5-169.60113.9L310 I315 A316 M345 D346L310-K312 VanDerWaalsContact C-N 3.26Å; L310-K312 HydrophobicContact CB-CG 4.07Å; L310-K312 VanDerWaalsContact CD1-CE 3.44Å; L310-K312 PolarHBondContact O-N 3.31Å; K312-I315 PolarHBondContact O-N 3.42Å; K312-A316 PolarHBondContact O-N 3.12Å; K312-M345 HydrophobicContact CB-CB 4.36Å; K312-M345 PolarHBondContact N-O 2.97Å; K312-D346 IonicContact NZ-OD1 3.49Å; K312-D346 PolarHBondContact NZ-OD1 2.86Å
313D94.1Very high91.2Very high72 Ų7244.1 Ų44.139%0.38523%0.234SC..Hα-helixtrans-73.6-41.1179.3-51.4-28.9000110.1Y309 L310 V311 I315 A316 E317Y309-D313 HydrophobicContact CD1-CB 4.47Å; L310-D313 VanDerWaalsContact CB-OD2 3.24Å; L310-D313 WeakPolarHBondContact CB-OD2 3.37Å; L310-D313 WeakPolarHBondContact CG-OD2 3.48Å; L310-D313 PolarHBondContact N-OD2 3.42Å; L310-D313 PolarHBondContact O-N 3.16Å; V311-D313 VanDerWaalsContact C-N 3.32Å; V311-D313 PolarHBondContact O-N 3.36Å; D313-I315 VanDerWaalsContact C-N 3.34Å; D313-I315 PolarHBondContact O-N 2.7Å; D313-A316 PolarHBondContact O-N 2.98Å; D313-E317 PolarHBondContact O-N 3.33Å
314L95.1Very high89.8Confident0 Ų050.1 Ų50.10%027%0.266CS..Hα-helixtrans-61.2-41.5171.917962.5000111.6L303 P305 Y309 L310 V311 E317 I318 L334 L349 L364L303-L314 HydrophobicContact CD1-CD1 3.84Å; P305-L314 HydrophobicContact CB-CD1 4.31Å; P305-L314 HydrophobicContact CG-CD1 4.23Å; Y309-L314 HydrophobicContact CD1-CB 4.4Å; L310-L314 PolarHBondContact O-N 2.83Å; L310-L314 VanDerWaalsContact O-N 3.11Å; V311-L314 PolarHBondContact O-N 2.96Å; L314-E317 PolarHBondContact O-N 3.09Å; L314-I318 HydrophobicContact CD1-CD1 4.16Å; L314-I318 HydrophobicContact CD1-CG1 4.41Å; L314-I318 HydrophobicContact CG-CD1 3.9Å; L314-I318 WeakPolarHBondContact O-CD1 3.5Å; L314-I318 WeakPolarHBondContact O-CG1 3.41Å; L314-I318 PolarHBondContact O-N 3.46Å; L314-L334 HydrophobicContact CD2-CD1 3.8Å; L314-L334 HydrophobicContact CG-CD1 4.11Å; L314-L349 HydrophobicContact CD2-CD1 4.06Å; L314-L349 HydrophobicContact CD2-CD2 3.88Å; L314-L364 HydrophobicContact CD2-CD1 4.26Å
315I94.4Very high88.1Confident0 Ų052.5 Ų52.50%028%0.277CS..Hα-helixtrans-60.9-46.3174.3-71.5168000110.5V311 K312 D313 E317 I318 L319 P329 L334 L366V311-I315 HydrophobicContact CG1-CD1 4.03Å; V311-I315 WeakPolarHBondContact O-CG1 3.28Å; V311-I315 PolarHBondContact O-N 3.29Å; K312-I315 PolarHBondContact O-N 3.42Å; D313-I315 VanDerWaalsContact C-N 3.34Å; D313-I315 PolarHBondContact O-N 2.7Å; I315-E317 PolarHBondContact O-N 3.06Å; I315-I318 PolarHBondContact O-N 3.22Å; I315-L319 HydrophobicContact CG2-CD1 3.71Å; I315-L319 HydrophobicContact CG2-CG 4.23Å; I315-L319 VanDerWaalsContact O-CG 3.27Å; I315-L319 WeakPolarHBondContact O-CG 3.23Å; I315-L319 PolarHBondContact O-N 3.34Å; I315-P329 HydrophobicContact CB-CB 4.48Å; I315-P329 HydrophobicContact CG2-CB 3.91Å; I315-L334 HydrophobicContact CD1-CD1 4.29Å; I315-L334 HydrophobicContact CD1-CG 4.2Å; I315-L334 HydrophobicContact CG1-CD1 3.64Å; I315-L334 HydrophobicContact CG1-CG 3.79Å; I315-L366 HydrophobicContact CG1-CD1 4.17Å; I315-L366 HydrophobicContact CG2-CD1 4.31Å
316A92.4Very high86.5Confident40 Ų4058.3 Ų58.333%0.33131%0.314SS..Hα-helixtrans-60.2-42.2177.600000112.5K312 D313 L319 L320 P329K312-A316 PolarHBondContact O-N 3.12Å; D313-A316 PolarHBondContact O-N 2.98Å; A316-L319 PolarHBondContact O-N 2.91Å; A316-L320 WeakPolarHBondContact O-CB 3.2Å; A316-L320 PolarHBondContact O-N 3.24Å; A316-P329 HydrophobicContact CB-CG 3.87Å
317E92.6Very high85.6Confident63 Ų6358.5 Ų58.529%0.29432%0.317SS..Hα-helixtrans-61.6-45.2174.9-172.5-179.3152.500111.7Y309 D313 L314 I315 L320 L321Y309-E317 VanDerWaalsContact CE1-OE2 3.24Å; Y309-E317 WeakPolarHBondContact CE1-OE2 3.21Å; Y309-E317 PolarHBondContact OH-OE2 3.49Å; D313-E317 PolarHBondContact O-N 3.33Å; L314-E317 PolarHBondContact O-N 3.09Å; I315-E317 PolarHBondContact O-N 3.06Å; E317-L320 PolarHBondContact O-N 3.31Å; E317-L321 HydrophobicContact CG-CD1 4.15Å; E317-L321 WeakPolarHBondContact O-CB 3.32Å; E317-L321 VanDerWaalsContact O-CG 3.26Å; E317-L321 WeakPolarHBondContact O-CG 3.39Å; E317-L321 PolarHBondContact O-N 3.26Å
318I91.8Very high85.2Confident0 Ų060.7 Ų60.70%033%0.332CS..Hα-helixtrans-62.6-45.1177.5-64.8157.3000111.1I292 I294 L301 L303 L314 I315 L320 L321 C322 L334 L366I292-I318 HydrophobicContact CB-CD1 4.47Å; I292-I318 HydrophobicContact CD1-CD1 3.85Å; I292-I318 HydrophobicContact CD1-CG1 4.09Å; I292-I318 HydrophobicContact CG1-CD1 3.82Å; I292-I318 HydrophobicContact CG1-CG1 4.45Å; I292-I318 HydrophobicContact CG2-CD1 4.05Å; I292-I318 HydrophobicContact CG2-CG2 4.28Å; I294-I318 HydrophobicContact CD1-CG2 4.25Å; L301-I318 HydrophobicContact CD1-CG2 3.99Å; L303-I318 HydrophobicContact CD1-CG1 3.84Å; L314-I318 HydrophobicContact CD1-CD1 4.16Å; L314-I318 HydrophobicContact CD1-CG1 4.41Å; L314-I318 HydrophobicContact CG-CD1 3.9Å; L314-I318 WeakPolarHBondContact O-CD1 3.5Å; L314-I318 WeakPolarHBondContact O-CG1 3.41Å; L314-I318 PolarHBondContact O-N 3.46Å; I315-I318 PolarHBondContact O-N 3.22Å; I318-L320 VanDerWaalsContact C-N 3.35Å; I318-L320 PolarHBondContact O-N 2.7Å; I318-L321 PolarHBondContact O-N 3.49Å; I318-C322 WeakPolarHBondContact O-CB 3.45Å; I318-C322 PolarHBondContact O-N 2.72Å; I318-C322 VanDerWaalsContact O-N 3.11Å; I318-L334 HydrophobicContact CD1-CD1 4.34Å; I318-L334 HydrophobicContact CD1-CD2 4.08Å; I318-L366 HydrophobicContact CG2-CD2 3.73Å
319L89.9Confident84.7Confident9 Ų958.9 Ų58.95%0.04733%0.325CS..Hα-helixtrans-63.3-41.7179.9-68.3170.9000111.3I315 A316 L321 C322 A323 L327 Y332 L366I315-L319 HydrophobicContact CG2-CD1 3.71Å; I315-L319 HydrophobicContact CG2-CG 4.23Å; I315-L319 VanDerWaalsContact O-CG 3.27Å; I315-L319 WeakPolarHBondContact O-CG 3.23Å; I315-L319 PolarHBondContact O-N 3.34Å; A316-L319 PolarHBondContact O-N 2.91Å; L319-L321 PolarHBondContact O-N 2.91Å; L319-C322 PolarHBondContact O-N 2.93Å; L319-A323 WeakPolarHBondContact O-CB 3.16Å; L319-A323 PolarHBondContact O-N 3.45Å; L319-L327 HydrophobicContact CB-CB 4.46Å; L319-L327 HydrophobicContact CD1-CB 4.05Å; L319-L327 HydrophobicContact CD2-CB 4.22Å; L319-L327 HydrophobicContact CD2-CD1 3.88Å; L319-L327 HydrophobicContact CG-CB 4.47Å; L319-Y332 HydrophobicContact CD1-CD2 3.75Å; L319-Y332 HydrophobicContact CD1-CE2 4.15Å; L319-Y332 HydrophobicContact CD1-CG 4.32Å; L319-Y332 HydrophobicContact CD2-CD1 4.18Å; L319-Y332 HydrophobicContact CD2-CD2 3.85Å; L319-Y332 HydrophobicContact CD2-CE1 4.04Å; L319-Y332 HydrophobicContact CD2-CE2 3.73Å; L319-Y332 HydrophobicContact CD2-CG 4.09Å; L319-Y332 HydrophobicContact CG-CD2 4.42Å; L319-L366 HydrophobicContact CD2-CD2 4.03Å
320L88.4Confident84.3Confident124 Ų12462.9 Ų62.965%0.64934%0.344SS*.Hα-helixtrans-60.4-43.1174.4-178.364.2000112.1A316 E317 I318 C322A316-L320 WeakPolarHBondContact O-CB 3.2Å; A316-L320 PolarHBondContact O-N 3.24Å; E317-L320 PolarHBondContact O-N 3.31Å; I318-L320 VanDerWaalsContact C-N 3.35Å; I318-L320 PolarHBondContact O-N 2.7Å; L320-C322 VanDerWaalsContact C-N 3.27Å; L320-C322 PolarHBondContact O-N 3.34Å
321L87.1Confident84.1Confident89 Ų8964 Ų6447%0.46635%0.348SS..Hα-helixtrans-68.9-20.2178.6-71.6170.8000114.1L301 L303 E317 I318 L319L301-L321 HydrophobicContact CD1-CB 4.31Å; L301-L321 HydrophobicContact CD1-CD1 4.35Å; L303-L321 HydrophobicContact CD1-CD1 4.39Å; L303-L321 HydrophobicContact CD2-CD1 3.84Å; E317-L321 HydrophobicContact CG-CD1 4.15Å; E317-L321 WeakPolarHBondContact O-CB 3.32Å; E317-L321 VanDerWaalsContact O-CG 3.26Å; E317-L321 WeakPolarHBondContact O-CG 3.39Å; E317-L321 PolarHBondContact O-N 3.26Å; I318-L321 PolarHBondContact O-N 3.49Å; L319-L321 PolarHBondContact O-N 2.91Å
322C80.9Confident83.9Confident44 Ų4465.9 Ų65.930%0.29736%0.355SS..Hα-helixtrans-110.9-38.8-172.2-75.10000115I294 I318 L319 L320I294-C322 HydrophobicContact CD1-CB 4.37Å; I294-C322 WeakPolarHBondContact CD1-SG 3.3Å; I318-C322 WeakPolarHBondContact O-CB 3.45Å; I318-C322 PolarHBondContact O-N 2.72Å; I318-C322 VanDerWaalsContact O-N 3.11Å; L319-C322 PolarHBondContact O-N 2.93Å; L320-C322 VanDerWaalsContact C-N 3.27Å; L320-C322 PolarHBondContact O-N 3.34Å
323A71.3Confident83.8Confident38 Ų3862.7 Ų62.731%0.31434%0.341SS..Hα-helixtrans-100.9-23.9-169.300000114.1L319 E325 L327L319-A323 WeakPolarHBondContact O-CB 3.16Å; L319-A323 PolarHBondContact O-N 3.45Å; A323-E325 HydrophobicContact CB-CB 4.47Å; A323-E325 PolarHBondContact O-N 2.79Å; A323-L327 HydrophobicContact CB-CD1 3.5Å; A323-L327 HydrophobicContact CB-CG 4.28Å
324N65.5Low83.8Confident145 Ų14559.2 Ų59.278%0.77532%0.323SS*.SBendtrans54.78.2-166-57.5-67.8000115
325E59.2Low83.8Confident134 Ų13459.8 Ų59.863%0.62633%0.327SS*.SBendtrans-124146.8-177.4-75.3-69.2164.300109.6A323 L327A323-E325 HydrophobicContact CB-CB 4.47Å; A323-E325 PolarHBondContact O-N 2.79Å; E325-L327 VanDerWaalsContact C-N 3.27Å; E325-L327 PolarHBondContact O-N 2.69Å
326P59.6Low83.8Confident128 Ų12860 Ų6083%0.83133%0.328SS*.  trans-76.774.9-177.532.6-34.5000111.7
327L74.2Confident83.7Confident65 Ų6560 Ų6034%0.3433%0.325SS..  trans-69.9141.5170.6-69.1170.2000110.9L319 A323 E325 P329 Y332L319-L327 HydrophobicContact CB-CB 4.46Å; L319-L327 HydrophobicContact CD1-CB 4.05Å; L319-L327 HydrophobicContact CD2-CB 4.22Å; L319-L327 HydrophobicContact CD2-CD1 3.88Å; L319-L327 HydrophobicContact CG-CB 4.47Å; A323-L327 HydrophobicContact CB-CD1 3.5Å; A323-L327 HydrophobicContact CB-CG 4.28Å; E325-L327 VanDerWaalsContact C-N 3.27Å; E325-L327 PolarHBondContact O-N 2.69Å; L327-P329 WeakPolarHBondContact O-CD 3.33Å; L327-Y332 HydrophobicContact CB-CE2 4.25Å; L327-Y332 HydrophobicContact CD1-CE2 4.42Å
328S82.3Confident83.5Confident46 Ų4661.5 Ų61.532%0.32236%0.358SS..  trans-74.4126.2-178.387.20000110.9K330 E331S328-K330 PolarHBondContact O-N 3.38Å; S328-K330 VanDerWaalsContact O-N 3.12Å; S328-E331 WeakPolarHBondContact CB-OE1 3.32Å; S328-E331 PolarHBondContact O-N 2.79Å; S328-E331 VanDerWaalsContact O-N 3.13Å; S328-E331 VanDerWaalsContact OG-CG 3.3Å; S328-E331 WeakPolarHBondContact OG-CG 3.38Å; S328-E331 PolarHBondContact OG-OE1 2.72Å
329P80.8Confident83.4Confident42 Ų4263.7 Ų63.727%0.27337%0.373SS..G310 helixtrans-62.1-23.6-179.3-27.336.5000113.9I315 A316 L327 E331 Y332I315-P329 HydrophobicContact CB-CB 4.48Å; I315-P329 HydrophobicContact CG2-CB 3.91Å; A316-P329 HydrophobicContact CB-CG 3.87Å; L327-P329 WeakPolarHBondContact O-CD 3.33Å; P329-E331 VanDerWaalsContact C-N 3.28Å; P329-E331 PolarHBondContact O-N 2.87Å; P329-Y332 PolarHBondContact O-N 3.08Å
330K85.7Confident83.4Confident160 Ų16069.6 Ų69.670%0.69640%0.4SS*.G310 helixtrans-69.6-23.1178.7-60.9-174.6178.4-177.50113.5S328 Y332 M345 N369S328-K330 PolarHBondContact O-N 3.38Å; S328-K330 VanDerWaalsContact O-N 3.12Å; K330-Y332 PolarHBondContact O-N 2.68Å; K330-M345 HydrophobicContact CB-CE 4.46Å; K330-M345 HydrophobicContact CG-CE 4.25Å; K330-N369 PolarHBondContact O-ND2 2.8Å
331E88.9Confident83.6Confident73 Ų7365.8 Ų65.834%0.34138%0.379SS..G310 helixtrans-76.7-0.3174.4-82.7173-97.400113.3S328 P329 K368 N369S328-E331 WeakPolarHBondContact CB-OE1 3.32Å; S328-E331 PolarHBondContact O-N 2.79Å; S328-E331 VanDerWaalsContact O-N 3.13Å; S328-E331 VanDerWaalsContact OG-CG 3.3Å; S328-E331 WeakPolarHBondContact OG-CG 3.38Å; S328-E331 PolarHBondContact OG-OE1 2.72Å; P329-E331 VanDerWaalsContact C-N 3.28Å; P329-E331 PolarHBondContact O-N 2.87Å; E331-K368 CarbonylContact O-C 3.53Å; E331-K368 WeakPolarHBondContact O-CA 3.37Å; E331-K368 VanDerWaalsContact O-CG 3.27Å; E331-K368 WeakPolarHBondContact O-CG 3.28Å; E331-K368 VanDerWaalsContact OE2-CE 3.22Å; E331-K368 WeakPolarHBondContact OE2-CE 3.4Å; E331-K368 IonicContact OE2-NZ 2.67Å; E331-K368 PolarHBondContact OE2-NZ 2.88Å; E331-N369 VanDerWaalsContact C-CB 3.49Å; E331-N369 VanDerWaalsContact O-CB 3.3Å; E331-N369 WeakPolarHBondContact O-CB 3.34Å; E331-N369 PolarHBondContact O-N 2.92Å
332Y91.5Very high84Confident40 Ų4062.9 Ų62.916%0.15736%0.363CS..EExtended strand (participates in β ladder)trans-129.4152.4-175.9-69.3-92.9000112L319 L327 P329 K330 L366 Q367 K368L319-Y332 HydrophobicContact CD1-CD2 3.75Å; L319-Y332 HydrophobicContact CD1-CE2 4.15Å; L319-Y332 HydrophobicContact CD1-CG 4.32Å; L319-Y332 HydrophobicContact CD2-CD1 4.18Å; L319-Y332 HydrophobicContact CD2-CD2 3.85Å; L319-Y332 HydrophobicContact CD2-CE1 4.04Å; L319-Y332 HydrophobicContact CD2-CE2 3.73Å; L319-Y332 HydrophobicContact CD2-CG 4.09Å; L319-Y332 HydrophobicContact CG-CD2 4.42Å; L327-Y332 HydrophobicContact CB-CE2 4.25Å; L327-Y332 HydrophobicContact CD1-CE2 4.42Å; P329-Y332 PolarHBondContact O-N 3.08Å; K330-Y332 PolarHBondContact O-N 2.68Å; Y332-L366 HydrophobicContact CD1-CD1 4.24Å; Y332-L366 HydrophobicContact CD1-CD2 4.06Å; Y332-L366 HydrophobicContact CD1-CG 3.98Å; Y332-L366 HydrophobicContact CE1-CD2 4.48Å; Y332-L366 HydrophobicContact CG-CD1 4.42Å; Y332-Q367 WeakPolarHBondContact CA-O 3.47Å; Y332-K368 HydrophobicContact CE1-CB 4.4Å
333L93.3Very high84.7Confident4 Ų460.8 Ų60.82%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-131.5149.7173.8-65.7174.1000109.6K270 W272 F342 Q367 N369K270-L333 HydrophobicContact CD-CD1 3.98Å; W272-L333 HydrophobicContact CH2-CD1 4.47Å; W272-L333 HydrophobicContact CH2-CD2 4.01Å; W272-L333 HydrophobicContact CZ3-CD2 4.12Å; L333-F342 HydrophobicContact CB-CD1 3.9Å; L333-F342 HydrophobicContact CB-CE1 4.33Å; L333-F342 HydrophobicContact CD1-CD1 4.1Å; L333-F342 HydrophobicContact CD1-CE1 4.36Å; L333-Q367 PolarHBondContact N-O 3.15Å; L333-Q367 PolarHBondContact O-N 3.22Å; L333-N369 HydrophobicContact CD1-CB 4.25Å; L333-N369 WeakPolarHBondContact CD1-OD1 3.45Å; L333-N369 HydrophobicContact CG-CB 4Å
334L95.4Very high85.8Confident0 Ų061.2 Ų61.20%034%0.344CS..EExtended strand (participates in β ladder)trans-103.2113.4169.6-73.6168.3000109.2V311 L314 I315 I318 F342 L343 L364 H365 L366V311-L334 HydrophobicContact CG1-CD1 4.32Å; L314-L334 HydrophobicContact CD2-CD1 3.8Å; L314-L334 HydrophobicContact CG-CD1 4.11Å; I315-L334 HydrophobicContact CD1-CD1 4.29Å; I315-L334 HydrophobicContact CD1-CG 4.2Å; I315-L334 HydrophobicContact CG1-CD1 3.64Å; I315-L334 HydrophobicContact CG1-CG 3.79Å; I318-L334 HydrophobicContact CD1-CD1 4.34Å; I318-L334 HydrophobicContact CD1-CD2 4.08Å; L334-F342 WeakPolarHBondContact O-CA 3.04Å; L334-L343 HydrophobicContact CB-CB 4.41Å; L334-L343 HydrophobicContact CB-CD1 4.05Å; L334-L343 HydrophobicContact CB-CG 4.3Å; L334-L343 HydrophobicContact CD1-CD1 4.47Å; L334-L343 PolarHBondContact O-N 2.96Å; L334-L364 HydrophobicContact CB-CD1 4.46Å; L334-L364 HydrophobicContact CD1-CD1 4.15Å; L334-L364 HydrophobicContact CD2-CB 4.15Å; L334-L364 HydrophobicContact CD2-CD1 4.37Å; L334-H365 WeakPolarHBondContact CA-O 3.48Å; L334-L366 HydrophobicContact CD2-CB 4.05Å; L334-L366 HydrophobicContact CD2-CD1 3.84Å; L334-L366 HydrophobicContact CG-CD1 4.22Å
335S94.6Very high87.1Confident12 Ų1256.5 Ų56.58%0.08432%0.318CS..EExtended strand (participates in β ladder)trans-91.6151.9168.647.40000111.1E341 L364 H365 Q367S335-E341 WeakPolarHBondContact CA-O 3.39Å; S335-L364 CarbonylContact O-C 3.54Å; S335-L364 VanDerWaalsContact O-CA 3.23Å; S335-L364 WeakPolarHBondContact O-CA 3.26Å; S335-H365 PolarHBondContact N-O 3Å; S335-H365 PolarHBondContact O-N 3.01Å; S335-H365 PolarHBondContact OG-O 2.99Å; S335-Q367 PolarHBondContact OG-OE1 3.09Å
336V94.2Very high88.7Confident4 Ų455.2 Ų55.22%0.02432%0.315CS..EExtended strand (participates in β ladder)trans-86119.8176.1174.30000109.2G338 S339 E341 L343 I354 L364V336-G338 PolarHBondContact O-N 3.47Å; V336-S339 PolarHBondContact O-N 3.5Å; V336-S339 VanDerWaalsContact O-O 3.12Å; V336-E341 PolarHBondContact N-O 3.06Å; V336-L343 HydrophobicContact CG2-CD2 3.91Å; V336-I354 HydrophobicContact CG1-CD1 3.99Å; V336-I354 HydrophobicContact CG1-CG1 3.82Å; V336-I354 HydrophobicContact CG2-CG1 4.19Å; V336-I354 HydrophobicContact CG2-CG2 4.14Å; V336-L364 HydrophobicContact CG2-CD2 4.01Å
337C91.4Very high90.4Very high41 Ų4152.6 Ų52.628%0.27729%0.292SS..THydrogen-bonded Turntrans-62.9131-179.3-58.20000111.4S339 Q363C337-S339 VanDerWaalsContact C-N 3.34Å; C337-Q363 HydrophobicContact CB-CB 3.7Å; C337-Q363 PolarHBondContact N-O 3.02Å
338G88.8Confident91.3Very high94 Ų9450.6 Ų50.697%0.96928%0.284SS*.THydrogen-bonded Turntrans78.415.3-173.200000114.2V336V336-G338 PolarHBondContact O-N 3.47Å
339S89Confident91.8Very high46 Ų4648.4 Ų48.432%0.32227%0.268SS..SBendtrans-136.3164.1170-168.70000109.5V336 C337 E341V336-S339 PolarHBondContact O-N 3.5Å; V336-S339 VanDerWaalsContact O-O 3.12Å; C337-S339 VanDerWaalsContact C-N 3.34Å; S339-E341 VanDerWaalsContact C-N 3.31Å; S339-E341 WeakPolarHBondContact OG-CB 3.5Å; S339-E341 VanDerWaalsContact OG-CG 3.26Å; S339-E341 WeakPolarHBondContact OG-CG 3.48Å; S339-E341 PolarHBondContact OG-N 3.26Å; S339-E341 PolarHBondContact OG-OE2 3.13Å
340E89.7Confident92.3Very high132 Ų13246.4 Ų46.462%0.61726%0.255SS*.SBendtrans-92.33.4169.6-60.9-171.3161.900112I271I271-E340 HydrophobicContact CD1-CB 4.02Å
341E93.3Very high92.6Very high44 Ų4439 Ų3921%0.20622%0.224CC..EExtended strand (participates in β ladder)trans-82138.2-175.5-66167120.700113.9I271 A273 S335 V336 S339I271-E341 HydrophobicContact CG2-CG 3.92Å; I271-E341 CarbonylContact O-C 3.57Å; I271-E341 WeakPolarHBondContact O-CA 3.41Å; A273-E341 HydrophobicContact CB-CB 4.03Å; S335-E341 WeakPolarHBondContact CA-O 3.39Å; V336-E341 PolarHBondContact N-O 3.06Å; S339-E341 VanDerWaalsContact C-N 3.31Å; S339-E341 WeakPolarHBondContact OG-CB 3.5Å; S339-E341 VanDerWaalsContact OG-CG 3.26Å; S339-E341 WeakPolarHBondContact OG-CG 3.48Å; S339-E341 PolarHBondContact OG-N 3.26Å; S339-E341 PolarHBondContact OG-OE2 3.13Å
342F95Very high92.9Very high29 Ų2935.5 Ų35.513%0.12721%0.207CC..EExtended strand (participates in β ladder)trans-105139.8171.8-66.2-82.3000111.8K270 I271 W272 A273 L333 L334 Q367K270-F342 HydrophobicContact CB-CD2 3.99Å; K270-F342 HydrophobicContact CB-CE2 4.32Å; K270-F342 HydrophobicContact CG-CD2 4.29Å; K270-F342 HydrophobicContact CG-CE2 4.25Å; I271-F342 PolarHBondContact O-N 2.94Å; W272-F342 HydrophobicContact CE3-CB 3.71Å; W272-F342 HydrophobicContact CZ3-CB 3.68Å; A273-F342 WeakPolarHBondContact CB-O 3.32Å; A273-F342 PolarHBondContact N-O 3.44Å; L333-F342 HydrophobicContact CB-CD1 3.9Å; L333-F342 HydrophobicContact CB-CE1 4.33Å; L333-F342 HydrophobicContact CD1-CD1 4.1Å; L333-F342 HydrophobicContact CD1-CE1 4.36Å; L334-F342 WeakPolarHBondContact O-CA 3.04Å; F342-Q367 HydrophobicContact CE1-CG 4.34Å
343L96Very high92.9Very high0 Ų038.1 Ų38.10%022%0.22CC..  trans-72142.3172.8-56.1-175.2000111.1A273 V311 L334 V336 L349 I354 F355 L364A273-L343 HydrophobicContact CB-CD2 4.02Å; V311-L343 HydrophobicContact CB-CB 4.41Å; V311-L343 HydrophobicContact CG1-CB 3.77Å; V311-L343 HydrophobicContact CG2-CB 3.7Å; V311-L343 HydrophobicContact CG2-CD1 4.19Å; L334-L343 HydrophobicContact CB-CB 4.41Å; L334-L343 HydrophobicContact CB-CD1 4.05Å; L334-L343 HydrophobicContact CB-CG 4.3Å; L334-L343 HydrophobicContact CD1-CD1 4.47Å; L334-L343 PolarHBondContact O-N 2.96Å; V336-L343 HydrophobicContact CG2-CD2 3.91Å; L343-L349 HydrophobicContact CD1-CD2 4.45Å; L343-I354 HydrophobicContact CD2-CG2 4.04Å; L343-F355 HydrophobicContact CD1-CE2 3.87Å; L343-F355 HydrophobicContact CD1-CZ 4.17Å; L343-F355 HydrophobicContact CD2-CE2 4.04Å; L343-L364 HydrophobicContact CD1-CD1 3.73Å; L343-L364 HydrophobicContact CD1-CD2 3.93Å; L343-L364 HydrophobicContact CG-CD2 4.45Å
344Q94.7Very high92.8Very high46 Ų4638.5 Ų38.522%0.21522%0.222CC..  trans-84.8121.9-178.1-59.9-178.342.800110.6W272 A273 T275 V311 D346 H347 H352W272-Q344 HydrophobicContact CB-CG 3.95Å; W272-Q344 HydrophobicContact CD2-CG 4.43Å; W272-Q344 HydrophobicContact CE3-CG 4.16Å; W272-Q344 HydrophobicContact CG-CG 4.37Å; A273-Q344 PolarHBondContact O-NE2 2.74Å; T275-Q344 HydrophobicContact CG2-CG 4.47Å; T275-Q344 PolarHBondContact OG1-NE2 3.27Å; V311-Q344 WeakPolarHBondContact CB-O 3.43Å; V311-Q344 WeakPolarHBondContact CG2-O 3.21Å; Q344-D346 PolarHBondContact O-N 3.41Å; Q344-H347 HydrophobicContact CB-CB 4.17Å; Q344-H347 PolarHBondContact O-N 3.2Å; Q344-H347 VanDerWaalsContact O-N 3.1Å; Q344-H347 PolarHBondContact OE1-CE1 3.03Å; Q344-H347 PolarHBondContact OE1-ND1 3.47Å; Q344-H352 PolarHBondContact N-NE2 3.46Å
345M92.8Very high92.6Very high47 Ų4739 Ų3923%0.23222%0.224CC..THydrogen-bonded Turntrans-54.1-42.6-168.5-73.6-151.6-61.800115.3V311 K312 K330 H347V311-M345 PolarHBondContact N-O 3.36Å; K312-M345 HydrophobicContact CB-CB 4.36Å; K312-M345 PolarHBondContact N-O 2.97Å; K330-M345 HydrophobicContact CB-CE 4.46Å; K330-M345 HydrophobicContact CG-CE 4.25Å; M345-H347 VanDerWaalsContact C-N 3.34Å
346D92.8Very high92.3Very high106 Ų10642.3 Ų42.357%0.56724%0.238SC*.THydrogen-bonded Turntrans-90.48.2-175.6-65.4-66.9000114.3K312 Q344K312-D346 IonicContact NZ-OD1 3.49Å; K312-D346 PolarHBondContact NZ-OD1 2.86Å; Q344-D346 PolarHBondContact O-N 3.41Å
347H93.6Very high91.7Very high73 Ų7348 Ų4834%0.33826%0.263SS..SBendtrans-103.7150.4176.9-74.276.4000111.9T275 L310 V311 Q344 M345 H352T275-H347 HydrophobicContact CG2-CB 3.91Å; T275-H347 VanDerWaalsContact CG2-CD2 3.43Å; T275-H347 WeakPolarHBondContact CG2-CD2 3.33Å; T275-H347 PolarHBondContact OG1-NE2 2.97Å; L310-H347 WeakPolarHBondContact CA-O 3.44Å; V311-H347 PolarHBondContact N-O 3.31Å; V311-H347 VanDerWaalsContact N-O 3.11Å; Q344-H347 HydrophobicContact CB-CB 4.17Å; Q344-H347 PolarHBondContact O-N 3.2Å; Q344-H347 VanDerWaalsContact O-N 3.1Å; Q344-H347 PolarHBondContact OE1-CE1 3.03Å; Q344-H347 PolarHBondContact OE1-ND1 3.47Å; M345-H347 VanDerWaalsContact C-N 3.34Å; H347-H352 VanDerWaalsContact CB-CE1 3.49Å; H347-H352 WeakPolarHBondContact CB-CE1 3.25Å
348S93.4Very high90.4Very high24 Ų2454.6 Ų54.617%0.16830%0.295CS..BIsolated β-bridgetrans-71.8149.4174.1590000112.1F283 Y309 G350 G351 H352F283-S348 WeakPolarHBondContact CE2-OG 3.34Å; Y309-S348 CarbonylContact O-C 3.47Å; Y309-S348 WeakPolarHBondContact O-CA 3.34Å; S348-G350 VanDerWaalsContact C-N 3.33Å; S348-G350 PolarHBondContact O-N 3.32Å; S348-G351 PolarHBondContact O-N 3.07Å; S348-G351 PolarHBondContact OG-N 2.89Å; S348-H352 PolarHBondContact O-ND1 3.23Å
349L93.6Very high89.5Confident0 Ų055.4 Ų55.40%027%0.272CS..G310 helixtrans-54.6-48.8177.7-60.9-177.8000111.4F288 P305 Y309 V311 L314 L343 G351 H352 F355F288-L349 HydrophobicContact CD2-CB 4.04Å; F288-L349 HydrophobicContact CE2-CB 4.05Å; P305-L349 HydrophobicContact CB-CD1 3.67Å; P305-L349 HydrophobicContact CG-CD1 3.53Å; Y309-L349 PolarHBondContact O-N 3.22Å; V311-L349 HydrophobicContact CG2-CD2 3.91Å; L314-L349 HydrophobicContact CD2-CD1 4.06Å; L314-L349 HydrophobicContact CD2-CD2 3.88Å; L343-L349 HydrophobicContact CD1-CD2 4.45Å; L349-G351 PolarHBondContact O-N 3.48Å; L349-H352 PolarHBondContact O-N 3.34Å; L349-H352 VanDerWaalsContact O-N 3.09Å; L349-F355 HydrophobicContact CB-CD1 4.2Å; L349-F355 HydrophobicContact CB-CD2 4.48Å; L349-F355 HydrophobicContact CB-CE1 4.06Å; L349-F355 HydrophobicContact CB-CE2 4.35Å; L349-F355 HydrophobicContact CB-CG 4.42Å; L349-F355 HydrophobicContact CB-CZ 4.13Å; L349-F355 HydrophobicContact CD1-CE1 4.33Å; L349-F355 HydrophobicContact CD2-CE1 4.43Å; L349-F355 HydrophobicContact CD2-CE2 4.2Å; L349-F355 HydrophobicContact CD2-CZ 3.84Å; L349-F355 HydrophobicContact CG-CZ 4.37Å; L349-F355 WeakPolarHBondContact O-CB 3.3Å; L349-F355 WeakPolarHBondContact O-CD2 3.38Å; L349-F355 VanDerWaalsContact O-CG 3.31Å; L349-F355 WeakPolarHBondContact O-CG 3.29Å
350G91.9Very high89.1Confident0 Ų058.8 Ų58.80%030%0.295CS..G310 helixtrans-65.3-22.6179.800000113.9F283 A307 S348 H352 Q356F283-G350 VanDerWaalsContact CZ-O 3.23Å; F283-G350 WeakPolarHBondContact CZ-O 3.41Å; A307-G350 PolarHBondContact O-N 3.49Å; S348-G350 VanDerWaalsContact C-N 3.33Å; S348-G350 PolarHBondContact O-N 3.32Å; G350-H352 PolarHBondContact O-N 2.91Å; G350-Q356 PolarHBondContact O-NE2 3.49Å
351G91.8Very high89.2Confident3 Ų354.6 Ų54.63%0.03128%0.278CS..G310 helixtrans-68.1-21.1174.100000113.6T275 T276 S348 L349 Q356T275-G351 CarbonylContact C-O 3.56Å; T275-G351 VanDerWaalsContact CA-O 3.27Å; T275-G351 WeakPolarHBondContact CA-O 3.35Å; T276-G351 PolarHBondContact N-O 3.35Å; T276-G351 PolarHBondContact OG1-O 2.67Å; S348-G351 PolarHBondContact O-N 3.07Å; S348-G351 PolarHBondContact OG-N 2.89Å; L349-G351 PolarHBondContact O-N 3.48Å; G351-Q356 PolarHBondContact O-NE2 3.49Å
352H93.8Very high89.2Confident0 Ų052.8 Ų52.80%027%0.27CS..BIsolated β-bridgetrans-86.5133.2-178.7-65.584.7000111.9T275 Q344 H347 S348 L349 G350 I354 F355 Q356T275-H352 VanDerWaalsContact CG2-CD2 3.45Å; T275-H352 WeakPolarHBondContact CG2-CD2 3.31Å; Q344-H352 PolarHBondContact N-NE2 3.46Å; H347-H352 VanDerWaalsContact CB-CE1 3.49Å; H347-H352 WeakPolarHBondContact CB-CE1 3.25Å; S348-H352 PolarHBondContact O-ND1 3.23Å; L349-H352 PolarHBondContact O-N 3.34Å; L349-H352 VanDerWaalsContact O-N 3.09Å; G350-H352 PolarHBondContact O-N 2.91Å; H352-I354 HydrophobicContact CB-CG2 4.14Å; H352-I354 PolarHBondContact O-N 2.77Å; H352-F355 HydrophobicContact CB-CD2 3.94Å; H352-F355 PolarHBondContact O-N 3.35Å; H352-Q356 PolarHBondContact O-N 3.27Å
353K91.6Very high89.2Confident96 Ų9656.6 Ų56.642%0.41729%0.288SS..Hα-helixtrans-57.5-25.6-178.8-73-169.3-179.1175.20114.2I274 T276 F355 Q356 K357I274-K353 HydrophobicContact CB-CD 4Å; I274-K353 HydrophobicContact CB-CG 4.28Å; I274-K353 HydrophobicContact CG2-CD 3.69Å; I274-K353 HydrophobicContact CG2-CG 4.14Å; I274-K353 PolarHBondContact O-N 3.48Å; T276-K353 HydrophobicContact CG2-CD 4.3Å; T276-K353 VanDerWaalsContact CG2-CE 3.49Å; T276-K353 HydrophobicContact CG2-CG 3.79Å; K353-F355 VanDerWaalsContact C-N 3.3Å; K353-F355 PolarHBondContact O-N 3.03Å; K353-Q356 PolarHBondContact O-N 3Å; K353-K357 WeakPolarHBondContact O-CG 3.39Å; K353-K357 PolarHBondContact O-N 3.23Å
354I90.9Very high89.2Confident12 Ų1256.6 Ų56.66%0.06229%0.288CS..Hα-helixtrans-65.8-31.9176.7-172.561.5000112.7V336 L343 H352 K357 K359V336-I354 HydrophobicContact CG1-CD1 3.99Å; V336-I354 HydrophobicContact CG1-CG1 3.82Å; V336-I354 HydrophobicContact CG2-CG1 4.19Å; V336-I354 HydrophobicContact CG2-CG2 4.14Å; L343-I354 HydrophobicContact CD2-CG2 4.04Å; H352-I354 HydrophobicContact CB-CG2 4.14Å; H352-I354 PolarHBondContact O-N 2.77Å; I354-K357 HydrophobicContact CD1-CD 4.49Å; I354-K359 HydrophobicContact CD1-CD 4.49Å
355F91Very high89.1Confident9 Ų956.5 Ų56.54%0.03929%0.288CS..Hα-helixtrans-83.1-20176.8-71.4-94.6000113.3F288 V290 L343 L349 H352 K353 I362 L364F288-F355 HydrophobicContact CB-CD1 3.95Å; F288-F355 HydrophobicContact CB-CE1 4.09Å; F288-F355 HydrophobicContact CD1-CB 4.47Å; F288-F355 AromaticContact CD1-CD1 3.93Å; F288-F355 HydrophobicContact CD1-CD1 3.93Å; F288-F355 HydrophobicContact CD2-CB 4.41Å; F288-F355 AromaticContact CD2-CD1 3.32Å; F288-F355 HydrophobicContact CD2-CD1 3.32Å; F288-F355 AromaticContact CD2-CE1 3.89Å; F288-F355 HydrophobicContact CD2-CE1 3.89Å; F288-F355 HydrophobicContact CD2-CG 4.19Å; F288-F355 HydrophobicContact CE1-CB 3.99Å; F288-F355 HydrophobicContact CE1-CD1 4.25Å; F288-F355 WeakPolarHBondContact CE1-O 3.48Å; F288-F355 HydrophobicContact CE2-CB 3.87Å; F288-F355 AromaticContact CE2-CD1 3.64Å; F288-F355 HydrophobicContact CE2-CD1 3.64Å; F288-F355 HydrophobicContact CE2-CG 4.05Å; F288-F355 AromaticContact CG-CD1 3.46Å; F288-F355 HydrophobicContact CG-CD1 3.46Å; F288-F355 VanDerWaalsContact CG-CD1 3.46Å; F288-F355 HydrophobicContact CG-CE1 4.06Å; F288-F355 HydrophobicContact CZ-CB 3.67Å; F288-F355 HydrophobicContact CZ-CD1 4.13Å; F288-F355 HydrophobicContact CZ-CG 4.33Å; V290-F355 HydrophobicContact CG2-CE1 3.98Å; L343-F355 HydrophobicContact CD1-CE2 3.87Å; L343-F355 HydrophobicContact CD1-CZ 4.17Å; L343-F355 HydrophobicContact CD2-CE2 4.04Å; L349-F355 HydrophobicContact CB-CD1 4.2Å; L349-F355 HydrophobicContact CB-CD2 4.48Å; L349-F355 HydrophobicContact CB-CE1 4.06Å; L349-F355 HydrophobicContact CB-CE2 4.35Å; L349-F355 HydrophobicContact CB-CG 4.42Å; L349-F355 HydrophobicContact CB-CZ 4.13Å; L349-F355 HydrophobicContact CD1-CE1 4.33Å; L349-F355 HydrophobicContact CD2-CE1 4.43Å; L349-F355 HydrophobicContact CD2-CE2 4.2Å; L349-F355 HydrophobicContact CD2-CZ 3.84Å; L349-F355 HydrophobicContact CG-CZ 4.37Å; L349-F355 WeakPolarHBondContact O-CB 3.3Å; L349-F355 WeakPolarHBondContact O-CD2 3.38Å; L349-F355 VanDerWaalsContact O-CG 3.31Å; L349-F355 WeakPolarHBondContact O-CG 3.29Å; H352-F355 HydrophobicContact CB-CD2 3.94Å; H352-F355 PolarHBondContact O-N 3.35Å; K353-F355 VanDerWaalsContact C-N 3.3Å; K353-F355 PolarHBondContact O-N 3.03Å; F355-I362 HydrophobicContact CB-CD1 4.12Å; F355-I362 HydrophobicContact CD1-CD1 3.17Å; F355-I362 HydrophobicContact CD2-CD1 4.47Å; F355-I362 HydrophobicContact CE1-CD1 3.62Å; F355-I362 HydrophobicContact CE1-CG2 4.3Å; F355-I362 HydrophobicContact CG-CD1 3.68Å; F355-I362 HydrophobicContact CZ-CD1 4.43Å; F355-I362 HydrophobicContact CZ-CG2 4.28Å; F355-L364 HydrophobicContact CZ-CD1 4.3Å
356Q88.1Confident89.2Confident82 Ų8254.5 Ų54.538%0.38328%0.278SS..Hα-helixtrans-84.6-15.6175.2-62.1167.28.400112.8T276 G350 G351 H352 K353T276-Q356 PolarHBondContact OG1-NE2 3.24Å; G350-Q356 PolarHBondContact O-NE2 3.49Å; G351-Q356 PolarHBondContact O-NE2 3.49Å; H352-Q356 PolarHBondContact O-N 3.27Å; K353-Q356 PolarHBondContact O-N 3Å
357K82.8Confident89Confident125 Ų12551.9 Ų51.954%0.54326%0.263SS..SBendtrans-73.7142.8172.5-74.8171.2-176.2177.30109.7K353 I354 K359K353-K357 WeakPolarHBondContact O-CG 3.39Å; K353-K357 PolarHBondContact O-N 3.23Å; I354-K357 HydrophobicContact CD1-CD 4.49Å; K357-K359 VanDerWaalsContact C-N 3.26Å; K357-K359 PolarHBondContact O-N 3.35Å
358N64Low88.8Confident179 Ų17953 Ų5396%0.95727%0.266SS*.  trans-74.874.4-176.4-1520.4000111.7
359K70.6Confident88.5Confident111 Ų11153.6 Ų53.648%0.48327%0.268SS..  trans-111.5129.5174.2-71.9-171.3175-173.30109.4I354 K357 V361 I362I354-K359 HydrophobicContact CD1-CD 4.49Å; K357-K359 VanDerWaalsContact C-N 3.26Å; K357-K359 PolarHBondContact O-N 3.35Å; K359-V361 VanDerWaalsContact C-N 3.29Å; K359-V361 PolarHBondContact O-N 3Å; K359-I362 HydrophobicContact CB-CG1 4.44Å
360S78.9Confident87.9Confident117 Ų11761.8 Ų61.882%0.81830%0.299SS*.SBendtrans-68.6-26.3178.655.10000113.9
361V91.9Very high86.9Confident43 Ų4368.1 Ų68.126%0.26133%0.332SS..SBendtrans-144.7133174.9-176.30000108.9R289 K291 K359R289-V361 HydrophobicContact CG-CG1 4.24Å; R289-V361 HydrophobicContact CG-CG2 3.99Å; R289-V361 WeakPolarHBondContact O-CA 3.48Å; K291-V361 HydrophobicContact CB-CG1 4.25Å; K291-V361 HydrophobicContact CD-CG1 3.78Å; K291-V361 HydrophobicContact CG-CG1 3.73Å; K359-V361 VanDerWaalsContact C-N 3.29Å; K359-V361 PolarHBondContact O-N 3Å
362I93.9Very high85.9Confident7 Ų772.3 Ų72.34%0.03636%0.357CS..EExtended strand (participates in β ladder)trans-99.4133.8174-63.8166.8000107.8R289 V290 K291 F355 K359 L364R289-I362 PolarHBondContact O-N 3.02Å; V290-I362 CarbonylContact C-O 3.45Å; V290-I362 WeakPolarHBondContact CA-O 3.33Å; K291-I362 PolarHBondContact N-O 3.12Å; F355-I362 HydrophobicContact CB-CD1 4.12Å; F355-I362 HydrophobicContact CD1-CD1 3.17Å; F355-I362 HydrophobicContact CD2-CD1 4.47Å; F355-I362 HydrophobicContact CE1-CD1 3.62Å; F355-I362 HydrophobicContact CE1-CG2 4.3Å; F355-I362 HydrophobicContact CG-CD1 3.68Å; F355-I362 HydrophobicContact CZ-CD1 4.43Å; F355-I362 HydrophobicContact CZ-CG2 4.28Å; K359-I362 HydrophobicContact CB-CG1 4.44Å; I362-L364 HydrophobicContact CG2-CD2 3.95Å; I362-L364 HydrophobicContact CG2-CG 4.25Å
363Q94.6Very high85Confident108 Ų10875.8 Ų75.851%0.50538%0.38SS..EExtended strand (participates in β ladder)trans-108.4124.2177.9-66.3-179.313.300108.4K291 C337K291-Q363 HydrophobicContact CB-CG 4.19Å; K291-Q363 HydrophobicContact CD-CG 4.46Å; K291-Q363 WeakPolarHBondContact O-CA 3.3Å; C337-Q363 HydrophobicContact CB-CB 3.7Å; C337-Q363 PolarHBondContact N-O 3.02Å
364L95.6Very high84.5Confident0 Ų072.4 Ų72.40%037%0.373CS..EExtended strand (participates in β ladder)trans-121.1154.1176.1-56.2-179.9000109.7V290 K291 I292 S293 L314 L334 S335 V336 L343 F355 I362V290-L364 HydrophobicContact CG1-CB 4.49Å; V290-L364 HydrophobicContact CG1-CD1 3.63Å; V290-L364 HydrophobicContact CG1-CG 3.86Å; K291-L364 PolarHBondContact O-N 2.93Å; I292-L364 WeakPolarHBondContact CA-O 3.46Å; I292-L364 HydrophobicContact CG1-CB 4.41Å; S293-L364 PolarHBondContact N-O 2.88Å; S293-L364 PolarHBondContact OG-O 2.9Å; L314-L364 HydrophobicContact CD2-CD1 4.26Å; L334-L364 HydrophobicContact CB-CD1 4.46Å; L334-L364 HydrophobicContact CD1-CD1 4.15Å; L334-L364 HydrophobicContact CD2-CB 4.15Å; L334-L364 HydrophobicContact CD2-CD1 4.37Å; S335-L364 CarbonylContact O-C 3.54Å; S335-L364 VanDerWaalsContact O-CA 3.23Å; S335-L364 WeakPolarHBondContact O-CA 3.26Å; V336-L364 HydrophobicContact CG2-CD2 4.01Å; L343-L364 HydrophobicContact CD1-CD1 3.73Å; L343-L364 HydrophobicContact CD1-CD2 3.93Å; L343-L364 HydrophobicContact CG-CD2 4.45Å; F355-L364 HydrophobicContact CZ-CD1 4.3Å; I362-L364 HydrophobicContact CG2-CD2 3.95Å; I362-L364 HydrophobicContact CG2-CG 4.25Å
365H94.2Very high84.2Confident44 Ų4482.1 Ų82.120%0.20442%0.415CS..EExtended strand (participates in β ladder)trans-119.2122.9172.9179.9-118.4000109.5S293 D295 L334 S335S293-H365 WeakPolarHBondContact O-CA 3.28Å; S293-H365 PolarHBondContact OG-CD2 3.38Å; D295-H365 IonicContact OD1-CE1 2.67Å; D295-H365 PolarHBondContact OD1-CE1 2.89Å; D295-H365 IonicContact OD1-NE2 3.22Å; D295-H365 PolarHBondContact OD1-NE2 3.36Å; L334-H365 WeakPolarHBondContact CA-O 3.48Å; S335-H365 PolarHBondContact N-O 3Å; S335-H365 PolarHBondContact O-N 3.01Å; S335-H365 PolarHBondContact OG-O 2.99Å
366L93.4Very high84.1Confident5 Ų586.5 Ų86.53%0.02644%0.438CS..EExtended strand (participates in β ladder)trans-84.4120.1171.4-174.479.2000108.9I292 S293 I294 D295 I315 I318 L319 Y332 L334I292-L366 HydrophobicContact CG2-CB 4.12Å; S293-L366 PolarHBondContact O-N 3.31Å; I294-L366 HydrophobicContact CG1-CB 4.32Å; I294-L366 HydrophobicContact CG2-CD2 4.48Å; D295-L366 PolarHBondContact N-O 2.91Å; I315-L366 HydrophobicContact CG1-CD1 4.17Å; I315-L366 HydrophobicContact CG2-CD1 4.31Å; I318-L366 HydrophobicContact CG2-CD2 3.73Å; L319-L366 HydrophobicContact CD2-CD2 4.03Å; Y332-L366 HydrophobicContact CD1-CD1 4.24Å; Y332-L366 HydrophobicContact CD1-CD2 4.06Å; Y332-L366 HydrophobicContact CD1-CG 3.98Å; Y332-L366 HydrophobicContact CE1-CD2 4.48Å; Y332-L366 HydrophobicContact CG-CD1 4.42Å; L334-L366 HydrophobicContact CD2-CB 4.05Å; L334-L366 HydrophobicContact CD2-CD1 3.84Å; L334-L366 HydrophobicContact CG-CD1 4.22Å
367Q90Very high84.2Confident52 Ų5283.5 Ų83.524%0.24343%0.426CS..EExtended strand (participates in β ladder)trans-133.7151.4179.453.2177.689.100111.4D295 Y332 L333 S335 F342 N369D295-Q367 VanDerWaalsContact OD2-CA 3.28Å; D295-Q367 WeakPolarHBondContact OD2-CA 3.35Å; D295-Q367 WeakPolarHBondContact OD2-CB 3.41Å; Y332-Q367 WeakPolarHBondContact CA-O 3.47Å; L333-Q367 PolarHBondContact N-O 3.15Å; L333-Q367 PolarHBondContact O-N 3.22Å; S335-Q367 PolarHBondContact OG-OE1 3.09Å; F342-Q367 HydrophobicContact CE1-CG 4.34Å; Q367-N369 PolarHBondContact O-N 3Å
368K89.2Confident84.6Confident95 Ų9580.5 Ų80.541%0.41341%0.411SS..EExtended strand (participates in β ladder)trans-67.1129.5175.5-163.1167.8-175156.80110.2E331 Y332 R370E331-K368 CarbonylContact O-C 3.53Å; E331-K368 WeakPolarHBondContact O-CA 3.37Å; E331-K368 VanDerWaalsContact O-CG 3.27Å; E331-K368 WeakPolarHBondContact O-CG 3.28Å; E331-K368 VanDerWaalsContact OE2-CE 3.22Å; E331-K368 WeakPolarHBondContact OE2-CE 3.4Å; E331-K368 IonicContact OE2-NZ 2.67Å; E331-K368 PolarHBondContact OE2-NZ 2.88Å; Y332-K368 HydrophobicContact CE1-CB 4.4Å; K368-R370 PolarHBondContact O-N 3.07Å; K368-R370 VanDerWaalsContact O-N 3.12Å
369N87.4Confident85.9Confident38 Ų3878.4 Ų78.420%0.20339%0.394CS..  trans-63.6106.8168.7-169.814.5000107.8K270 K330 E331 L333 Q367K270-N369 PolarHBondContact NZ-OD1 2.94Å; K330-N369 PolarHBondContact O-ND2 2.8Å; E331-N369 VanDerWaalsContact C-CB 3.49Å; E331-N369 VanDerWaalsContact O-CB 3.3Å; E331-N369 WeakPolarHBondContact O-CB 3.34Å; E331-N369 PolarHBondContact O-N 2.92Å; L333-N369 HydrophobicContact CD1-CB 4.25Å; L333-N369 WeakPolarHBondContact CD1-OD1 3.45Å; L333-N369 HydrophobicContact CG-CB 4Å; Q367-N369 PolarHBondContact O-N 3Å
370R80.7Confident86.7Confident172 Ų17276 Ų7665%0.64939%0.391SS*.  trans-91.1140.4175.1-56.2-175.1-172.7-166.81.1109K270 K368 T372K270-R370 PolarHBondContact NZ-O 3.4Å; K368-R370 PolarHBondContact O-N 3.07Å; K368-R370 VanDerWaalsContact O-N 3.12Å; R370-T372 WeakPolarHBondContact CB-OG1 3.45Å; R370-T372 PolarHBondContact O-N 3.07Å
371D70.5Confident87.2Confident132 Ų13275.8 Ų75.871%0.70638%0.377SS*.SBendtrans-74.9-11.4173.5-51.1-53.3000112.2
372T70.4Confident87Confident91 Ų9176.6 Ų76.656%0.55838%0.38SS*.SBendtrans-65.4127.2171.655.80000110.4R370R370-T372 WeakPolarHBondContact CB-OG1 3.45Å; R370-T372 PolarHBondContact O-N 3.07Å
373P75.8Confident86.7Confident73 Ų7377.5 Ų77.547%0.47439%0.385SS..PPolyproline II helixtrans-53.5140.3175.6-25.934.1000112.7S377P373-S377 VanDerWaalsContact CB-OG 3.25Å; P373-S377 WeakPolarHBondContact CB-OG 3.49Å
374G80.3Confident86.1Confident26 Ų2679.4 Ų79.427%0.26839%0.394SS..PPolyproline II helixtrans-68166.7178.200000112.9S268 L376 S377S268-G374 PolarHBondContact O-N 2.93Å; G374-L376 PolarHBondContact O-N 3.33Å; G374-S377 PolarHBondContact N-OG 3.01Å; G374-S377 VanDerWaalsContact O-CB 3.29Å; G374-S377 WeakPolarHBondContact O-CB 3.45Å; G374-S377 PolarHBondContact O-N 3.39Å; G374-S377 PolarHBondContact O-OG 2.96Å
375K85.3Confident85.6Confident216 Ų21681.5 Ų81.594%0.93941%0.408SS*.THydrogen-bonded Turntrans-58.7-20.7179.6-67.1-178.9179.5176.90114.3
376L88.6Confident84.9Confident100 Ų10084 Ų8452%0.52443%0.428SS..THydrogen-bonded Turntrans-98.94.3-178.2-56.7174.2000113I271 G374I271-L376 HydrophobicContact CD1-CD1 3.44Å; I271-L376 VanDerWaalsContact CD1-CD1 3.44Å; I271-L376 HydrophobicContact CG1-CD1 3.7Å; G374-L376 PolarHBondContact O-N 3.33Å
377S90.6Very high84.2Confident20 Ų2085.7 Ų85.714%0.1444%0.435CS..PPolyproline II helixtrans-66.2137.1172.3-66.10000110.6N267 S268 G269 P373 G374N267-S377 WeakPolarHBondContact O-CB 3.4Å; N267-S377 PolarHBondContact O-OG 3.01Å; S268-S377 VanDerWaalsContact C-OG 3.26Å; S268-S377 PolarHBondContact O-OG 3.38Å; G269-S377 WeakPolarHBondContact CA-OG 3.44Å; G269-S377 PolarHBondContact N-OG 3.14Å; G269-S377 VanDerWaalsContact N-OG 3.08Å; P373-S377 VanDerWaalsContact CB-OG 3.25Å; P373-S377 WeakPolarHBondContact CB-OG 3.49Å; G374-S377 PolarHBondContact N-OG 3.01Å; G374-S377 VanDerWaalsContact O-CB 3.29Å; G374-S377 WeakPolarHBondContact O-CB 3.45Å; G374-S377 PolarHBondContact O-N 3.39Å; G374-S377 PolarHBondContact O-OG 2.96Å
378R90.6Very high83.5Confident61 Ų6187.7 Ų87.723%0.2345%0.445CS..PPolyproline II helixtrans-61154.2167-75.2177.1-69.6143.2-0.6110.8Y259 A261 N267 D382 D383Y259-R378 PolarHBondContact O-NH1 3.23Å; Y259-R378 PolarHBondContact O-NH2 2.94Å; A261-R378 HydrophobicContact CB-CB 3.91Å; N267-R378 PolarHBondContact ND2-N 3.44Å; N267-R378 PolarHBondContact ND2-O 3.2Å; N267-R378 PolarHBondContact OD1-N 3.01Å; R378-D382 WeakPolarHBondContact CA-OD2 3.49Å; R378-D382 HydrophobicContact CB-CB 4.14Å; R378-D382 HydrophobicContact CG-CB 4.19Å; R378-D383 IonicContact CZ-OD1 3.49Å; R378-D383 IonicContact NH1-OD1 2.7Å; R378-D383 PolarHBondContact NH1-OD1 3.08Å; R378-D383 IonicContact NH1-OD2 3.34Å; R378-D383 PolarHBondContact NH1-OD2 3.36Å
379K90.5Very high82.8Confident135 Ų13585.1 Ų85.159%0.58744%0.435SS*.PPolyproline II helixtrans-101.9166.9169.5-55.3178.9-175.11750110.4A261 E381 D382A261-K379 WeakPolarHBondContact CB-O 3.27Å; K379-E381 VanDerWaalsContact CB-OE2 3.28Å; K379-E381 WeakPolarHBondContact CB-OE2 3.11Å; K379-E381 WeakPolarHBondContact CD-OE2 3.43Å; K379-E381 PolarHBondContact O-N 2.96Å; K379-D382 PolarHBondContact N-OD2 3.49Å; K379-D382 WeakPolarHBondContact O-CB 3.43Å; K379-D382 PolarHBondContact O-N 3.38Å
380S88.4Confident82Confident61 Ų6187 Ų8743%0.42745%0.445SS..Hα-helixtrans-51.7-38.2170.625.60000112.7D382 D383 H384S380-D382 VanDerWaalsContact C-N 3.27Å; S380-D382 PolarHBondContact O-N 2.95Å; S380-D383 PolarHBondContact O-N 3.19Å; S380-H384 PolarHBondContact O-CD2 3.12Å; S380-H384 VanDerWaalsContact O-CD2 3.23Å; S380-H384 PolarHBondContact O-N 3.47Å
381E89.8Confident81.6Confident112 Ų11284.2 Ų84.252%0.52344%0.439SS..Hα-helixtrans-64.3-31.5179-56.874.8-106.200112.4K379 D383 H384 S385K379-E381 VanDerWaalsContact CB-OE2 3.28Å; K379-E381 WeakPolarHBondContact CB-OE2 3.11Å; K379-E381 WeakPolarHBondContact CD-OE2 3.43Å; K379-E381 PolarHBondContact O-N 2.96Å; E381-D383 VanDerWaalsContact C-N 3.34Å; E381-D383 PolarHBondContact O-N 3.1Å; E381-H384 PolarHBondContact O-N 2.74Å; E381-S385 WeakPolarHBondContact O-CB 3.18Å; E381-S385 PolarHBondContact O-N 2.88Å
382D87.6Confident81.6Confident61 Ų6182.5 Ų82.533%0.32643%0.43SS..Hα-helixtrans-69.2-33.5-178.8-64.3-44.6000111.7R256 R378 K379 S380 S385R256-D382 PolarHBondContact NH1-O 3.37Å; R378-D382 WeakPolarHBondContact CA-OD2 3.49Å; R378-D382 HydrophobicContact CB-CB 4.14Å; R378-D382 HydrophobicContact CG-CB 4.19Å; K379-D382 PolarHBondContact N-OD2 3.49Å; K379-D382 WeakPolarHBondContact O-CB 3.43Å; K379-D382 PolarHBondContact O-N 3.38Å; S380-D382 VanDerWaalsContact C-N 3.27Å; S380-D382 PolarHBondContact O-N 2.95Å; D382-S385 PolarHBondContact O-N 3.38Å; D382-S385 PolarHBondContact O-OG 2.93Å
383D87.6Confident81.6Confident25 Ų2582.5 Ų82.513%0.13443%0.426CS..Hα-helixtrans-76.3-33.1179.9-73.4-5.3000112.3H260 A261 R378 S380 E381H260-D383 IonicContact CD2-OD2 3.71Å; H260-D383 PolarHBondContact CD2-OD2 3.14Å; H260-D383 IonicContact CG-OD2 2.69Å; H260-D383 IonicContact NE2-OD2 3.78Å; A261-D383 VanDerWaalsContact CB-OD2 3.32Å; A261-D383 WeakPolarHBondContact CB-OD2 3.48Å; A261-D383 PolarHBondContact N-OD2 2.99Å; R378-D383 IonicContact CZ-OD1 3.49Å; R378-D383 IonicContact NH1-OD1 2.7Å; R378-D383 PolarHBondContact NH1-OD1 3.08Å; R378-D383 IonicContact NH1-OD2 3.34Å; R378-D383 PolarHBondContact NH1-OD2 3.36Å; S380-D383 PolarHBondContact O-N 3.19Å; E381-D383 VanDerWaalsContact C-N 3.34Å; E381-D383 PolarHBondContact O-N 3.1Å
384H82.9Confident81.2Confident149 Ų14986.4 Ų86.469%0.6944%0.438SS*.Hα-helixtrans-80.9-19.5173.5-58.5-42.5000113.2S380 E381S380-H384 PolarHBondContact O-CD2 3.12Å; S380-H384 VanDerWaalsContact O-CD2 3.23Å; S380-H384 PolarHBondContact O-N 3.47Å; E381-H384 PolarHBondContact O-N 2.74Å
385S84.3Confident80.3Confident44 Ų4492.8 Ų92.831%0.30846%0.458SS..SBendtrans-63.8133.4177.474.30000112R256 E381 D382 F387R256-S385 PolarHBondContact NH1-O 3.29Å; R256-S385 PolarHBondContact NH1-OG 2.93Å; E381-S385 WeakPolarHBondContact O-CB 3.18Å; E381-S385 PolarHBondContact O-N 2.88Å; D382-S385 PolarHBondContact O-N 3.38Å; D382-S385 PolarHBondContact O-OG 2.93Å; S385-F387 PolarHBondContact O-N 2.99Å
386P79Confident79.2Confident95 Ų9586 Ų8662%0.61744%0.435SS*.  trans-72.412117430.6-34.5000109.9H388P386-H388 PolarHBondContact O-N 2.9Å; P386-H388 PolarHBondContact O-ND1 2.92Å
387F78.4Confident77.6Confident41 Ų4188.8 Ų88.818%0.1845%0.445CS..  trans-76.4115.4-176.1179.9-98000112.4F248 C249 V252 S385 L389 L392F248-F387 HydrophobicContact CD1-CE1 4.03Å; F248-F387 AromaticContact CE1-CE1 3.62Å; F248-F387 HydrophobicContact CE1-CE1 3.62Å; F248-F387 AromaticContact CE1-CZ 3.75Å; F248-F387 HydrophobicContact CE1-CZ 3.75Å; F248-F387 HydrophobicContact CZ-CZ 4.43Å; C249-F387 HydrophobicContact CB-CD1 3.94Å; C249-F387 HydrophobicContact CB-CE1 4.41Å; V252-F387 HydrophobicContact CB-CD1 3.94Å; V252-F387 HydrophobicContact CB-CE1 3.97Å; V252-F387 HydrophobicContact CB-CG 4.27Å; V252-F387 HydrophobicContact CB-CZ 4.32Å; V252-F387 HydrophobicContact CG1-CB 4.44Å; V252-F387 HydrophobicContact CG1-CD1 3.91Å; V252-F387 HydrophobicContact CG1-CD2 3.72Å; V252-F387 HydrophobicContact CG1-CE1 4.05Å; V252-F387 HydrophobicContact CG1-CE2 3.85Å; V252-F387 HydrophobicContact CG1-CG 3.74Å; V252-F387 HydrophobicContact CG1-CZ 4.01Å; V252-F387 HydrophobicContact CG2-CD1 4.36Å; V252-F387 HydrophobicContact CG2-CE1 3.87Å; V252-F387 HydrophobicContact CG2-CZ 4.02Å; S385-F387 PolarHBondContact O-N 2.99Å; F387-L389 HydrophobicContact CE1-CB 4.3Å; F387-L389 HydrophobicContact CZ-CB 4.49Å; F387-L392 HydrophobicContact CE2-CD1 3.65Å; F387-L392 HydrophobicContact CZ-CD1 4Å
388H76.3Confident76.1Confident95 Ų9595 Ų9544%0.4448%0.475SS..  trans-124104.3176.6-60.192.6000110.5P386 N390 Q391P386-H388 PolarHBondContact O-N 2.9Å; P386-H388 PolarHBondContact O-ND1 2.92Å; H388-N390 PolarHBondContact O-N 2.9Å; H388-N390 VanDerWaalsContact O-N 3.14Å; H388-Q391 HydrophobicContact CB-CG 4.07Å; H388-Q391 WeakPolarHBondContact O-CB 3.32Å; H388-Q391 PolarHBondContact O-N 3.07Å; H388-Q391 VanDerWaalsContact O-N 3.1Å
389L74.9Confident73.8Confident41 Ų41102.9 Ų102.922%0.21551%0.505CS..Hα-helixtrans-55.9-34.2-179.4-17962000113.2L245 F248 F387 Q391 L392 L393L245-L389 HydrophobicContact CD1-CB 3.82Å; L245-L389 HydrophobicContact CD1-CD2 3.43Å; L245-L389 VanDerWaalsContact CD1-CD2 3.43Å; L245-L389 HydrophobicContact CD1-CG 4.21Å; F248-L389 HydrophobicContact CD1-CD2 4.13Å; F248-L389 HydrophobicContact CE1-CD1 4.06Å; F248-L389 HydrophobicContact CE1-CD2 4.08Å; F248-L389 HydrophobicContact CE1-CG 4.44Å; F387-L389 HydrophobicContact CE1-CB 4.3Å; F387-L389 HydrophobicContact CZ-CB 4.49Å; L389-Q391 PolarHBondContact O-N 3.48Å; L389-L392 HydrophobicContact CD1-CB 4.44Å; L389-L392 HydrophobicContact CD1-CD1 4.34Å; L389-L392 WeakPolarHBondContact O-CA 2.97Å; L389-L392 WeakPolarHBondContact O-CB 3.34Å; L389-L392 PolarHBondContact O-N 3.47Å; L389-L393 HydrophobicContact CD1-CG 4.29Å; L389-L393 HydrophobicContact CD2-CD1 4.14Å; L389-L393 HydrophobicContact CG-CD1 3.89Å; L389-L393 HydrophobicContact CG-CG 4.04Å; L389-L393 PolarHBondContact O-N 2.94Å
390N70.5Confident71.5Confident77 Ų77105.2 Ų105.241%0.41252%0.515SS..Hα-helixtrans-57-34.3-179.7-64.5-7000112.3Q239 H388 L392 L393 E394Q239-N390 PolarHBondContact O-ND2 3.41Å; H388-N390 PolarHBondContact O-N 2.9Å; H388-N390 VanDerWaalsContact O-N 3.14Å; N390-L392 VanDerWaalsContact C-N 3.32Å; N390-L392 PolarHBondContact O-N 2.99Å; N390-L393 PolarHBondContact O-N 3.09Å; N390-E394 PolarHBondContact O-N 3.4Å; N390-E394 VanDerWaalsContact O-N 3.09Å
391Q70.9Confident69.3Low114 Ų114110.4 Ų110.453%0.53354%0.536SS..Hα-helixtrans-69.6-28.1176.3-65.2175.2-26.600112.6H388 L389 F395H388-Q391 HydrophobicContact CB-CG 4.07Å; H388-Q391 WeakPolarHBondContact O-CB 3.32Å; H388-Q391 PolarHBondContact O-N 3.07Å; H388-Q391 VanDerWaalsContact O-N 3.1Å; L389-Q391 PolarHBondContact O-N 3.48Å; Q391-F395 WeakPolarHBondContact O-CD2 3.27Å; Q391-F395 VanDerWaalsContact O-CE2 3.32Å; Q391-F395 WeakPolarHBondContact O-CE2 3.32Å
392L71.5Confident67.2Low96 Ų96113.3 Ų113.350%0.50357%0.569SS.*Hα-helixtrans-79.7-35.1174.4-59.8175.2000111.4F387 L389 N390 E394 F395 T396F387-L392 HydrophobicContact CE2-CD1 3.65Å; F387-L392 HydrophobicContact CZ-CD1 4Å; L389-L392 HydrophobicContact CD1-CB 4.44Å; L389-L392 HydrophobicContact CD1-CD1 4.34Å; L389-L392 WeakPolarHBondContact O-CA 2.97Å; L389-L392 WeakPolarHBondContact O-CB 3.34Å; L389-L392 PolarHBondContact O-N 3.47Å; N390-L392 VanDerWaalsContact C-N 3.32Å; N390-L392 PolarHBondContact O-N 2.99Å; L392-E394 VanDerWaalsContact C-N 3.33Å; L392-F395 PolarHBondContact O-N 3.26Å; L392-T396 PolarHBondContact O-OG1 3.2Å
393L70.2Confident66.2Low91 Ų91116 Ų11648%0.47658%0.582SS.*Hα-helixtrans-70.6-27.9178.1-67.5176.1000112.8L389 N390 F395 T396L389-L393 HydrophobicContact CD1-CG 4.29Å; L389-L393 HydrophobicContact CD2-CD1 4.14Å; L389-L393 HydrophobicContact CG-CD1 3.89Å; L389-L393 HydrophobicContact CG-CG 4.04Å; L389-L393 PolarHBondContact O-N 2.94Å; N390-L393 PolarHBondContact O-N 3.09Å; L393-F395 PolarHBondContact O-N 3.33Å; L393-T396 WeakPolarHBondContact O-CB 3.2Å; L393-T396 PolarHBondContact O-N 3.13Å
394E66.9Low65Low154 Ų154120.7 Ų120.772%0.7261%0.605SS**THydrogen-bonded Turntrans-55.8-35.5174.9-171.9170.5-17200112.8N390 L392N390-E394 PolarHBondContact O-N 3.4Å; N390-E394 VanDerWaalsContact O-N 3.09Å; L392-E394 VanDerWaalsContact C-N 3.33Å
395F62.6Low64Low161 Ų161119.2 Ų119.271%0.70660%0.6SS**THydrogen-bonded Turntrans-92.50.2176.6-54.5-73.1000113.7Q391 L392 L393 H397Q391-F395 WeakPolarHBondContact O-CD2 3.27Å; Q391-F395 VanDerWaalsContact O-CE2 3.32Å; Q391-F395 WeakPolarHBondContact O-CE2 3.32Å; L392-F395 PolarHBondContact O-N 3.26Å; L393-F395 PolarHBondContact O-N 3.33Å; F395-H397 PolarHBondContact O-N 3.04Å
396T61.1Low62.9Low74 Ų74123.6 Ų123.645%0.45462%0.618SS.*  trans-89.8100.9-178.1-570000110L392 L393 I398L392-T396 PolarHBondContact O-OG1 3.2Å; L393-T396 WeakPolarHBondContact O-CB 3.2Å; L393-T396 PolarHBondContact O-N 3.13Å; T396-I398 PolarHBondContact O-N 3.16Å
397H55.2Low61.8Low158 Ų158125.4 Ų125.473%0.73162%0.618SS**  trans-63.299.9169.8-65.4-57.1000110.3F395 W399F395-H397 PolarHBondContact O-N 3.04Å; H397-W399 PolarHBondContact O-N 3.15Å
398I58.2Low60.7Low151 Ų151131 Ų13177%0.77465%0.647SS**  trans-70.995.1172.1-57.3177.8000107.8T396 K400T396-I398 PolarHBondContact O-N 3.16Å; I398-K400 VanDerWaalsContact C-N 3.35Å; I398-K400 PolarHBondContact O-N 3.27Å
399W42.5Very low59.6Low225 Ų225133.6 Ų133.685%0.85266%0.662SS**  trans-65.395.9168.8-64.991.7000108.8H397 I401H397-W399 PolarHBondContact O-N 3.15Å; W399-I401 PolarHBondContact O-N 3.03Å
400K41.9Very low58.4Low185 Ų185140.7 Ų140.780%0.80470%0.696SS**  trans-67.2102.3170.9-172.5179.5-178.8-177.10107.9I398 S402I398-K400 VanDerWaalsContact C-N 3.35Å; I398-K400 PolarHBondContact O-N 3.27Å; K400-S402 PolarHBondContact O-N 2.81Å; K400-S402 VanDerWaalsContact O-N 3.12Å
401I43.3Very low57.4Low169 Ų169146 Ų14687%0.86772%0.72SS**  trans-65.1111168.7-56.6174.8000106.4W399W399-I401 PolarHBondContact O-N 3.03Å
402S45Very low56.2Low174 Ų174148.9 Ų148.9100%1.21774%0.737SS**  trans-96.40-179.859.20000111.4K400K400-S402 PolarHBondContact O-N 2.81Å; K400-S402 VanDerWaalsContact O-N 3.12Å

Retrieved 402 of 402 residues in 351.7 ms (Link to these results)