A0A093HHC8_STRCA Loading...

Corticotropin-releasing factor receptor 2

AlphaFold DB , UniProt , Accession A0A093HHC8, Species STRCA (Struthio camelus australis), Gene n/a, Length 413 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
1M28.5Very low32.9Very low204 Ų204117.6 Ų117.6100%1.00561%0.613SS**  040.60-153.8169.5-81.600107.2
2D29.4Very low33Very low122 Ų122118.8 Ų118.865%0.65261%0.613SS**  trans-145.554.1-149.5-56.8-67.1000110.8
3V32.1Very low33.6Very low107 Ų107114.8 Ų114.865%0.64859%0.589SS**SBendtrans-131.1-35.8168.7-179.20000109.3Q7V3-Q7 PolarHBondContact O-N 3.28Å
4T33.3Very low34.5Very low101 Ų101113.7 Ų113.762%0.6259%0.585SS**Hα-helixtrans-67.5-33.4175.338.20000113.8F8T4-F8 VanDerWaalsContact O-CB 3.32Å; T4-F8 WeakPolarHBondContact O-CB 3.23Å; T4-F8 PolarHBondContact O-N 3.44Å
5I35.2Very low35.2Very low98 Ų98111.9 Ų111.950%0.50359%0.594SS.*Hα-helixtrans-72.7-39178.6-64.5171.2000111Q7 F8 I9I5-Q7 PolarHBondContact O-N 3.49Å; I5-F8 PolarHBondContact O-N 3.47Å; I5-I9 HydrophobicContact CG2-CD1 3.62Å; I5-I9 HydrophobicContact CG2-CG1 4.24Å; I5-I9 VanDerWaalsContact O-CB 3.27Å; I5-I9 WeakPolarHBondContact O-CB 3.31Å; I5-I9 WeakPolarHBondContact O-CG1 3.42Å; I5-I9 PolarHBondContact O-N 3.32Å
6S32.2Very low36.4Very low68 Ų68110.1 Ų110.148%0.47658%0.584SS.*Hα-helixtrans-67.3-34.9177.2-50.70000112.8L10S6-L10 PolarHBondContact O-N 2.94Å; S6-L10 VanDerWaalsContact O-N 3.09Å
7Q32.4Very low38Very low127 Ų127104.4 Ų104.459%0.59356%0.555SS**Hα-helixtrans-72.3-41.5174.2-105.6172.2-46.100112.6V3 I5 I9 L10 E11V3-Q7 PolarHBondContact O-N 3.28Å; I5-Q7 PolarHBondContact O-N 3.49Å; Q7-I9 VanDerWaalsContact C-N 3.33Å; Q7-I9 PolarHBondContact O-N 2.51Å; Q7-L10 PolarHBondContact O-N 3.43Å; Q7-E11 PolarHBondContact O-N 3.23Å
8F29.9Very low38.9Very low130 Ų130102.5 Ų102.557%0.5755%0.551SS**Hα-helixtrans-65.9-37.3176.1-150-90.2000111.6T4 I5 E12T4-F8 VanDerWaalsContact O-CB 3.32Å; T4-F8 WeakPolarHBondContact O-CB 3.23Å; T4-F8 PolarHBondContact O-N 3.44Å; I5-F8 PolarHBondContact O-N 3.47Å; F8-E12 WeakPolarHBondContact O-CB 3.48Å; F8-E12 PolarHBondContact O-N 3.19Å; F8-E12 VanDerWaalsContact O-N 3.11Å
9I35.6Very low39.8Very low81 Ų81101.5 Ų101.542%0.41555%0.545SS..Hα-helixtrans-65.5-39.5173-72.1173.5000110.9I5 Q7 F13I5-I9 HydrophobicContact CG2-CD1 3.62Å; I5-I9 HydrophobicContact CG2-CG1 4.24Å; I5-I9 VanDerWaalsContact O-CB 3.27Å; I5-I9 WeakPolarHBondContact O-CB 3.31Å; I5-I9 WeakPolarHBondContact O-CG1 3.42Å; I5-I9 PolarHBondContact O-N 3.32Å; Q7-I9 VanDerWaalsContact C-N 3.33Å; Q7-I9 PolarHBondContact O-N 2.51Å; I9-F13 HydrophobicContact CG2-CD2 3.62Å; I9-F13 HydrophobicContact CG2-CE2 3.34Å; I9-F13 HydrophobicContact CG2-CG 4.41Å; I9-F13 HydrophobicContact CG2-CZ 3.9Å; I9-F13 WeakPolarHBondContact O-CB 3.22Å; I9-F13 WeakPolarHBondContact O-CD2 3.15Å; I9-F13 WeakPolarHBondContact O-CG 3.12Å; I9-F13 PolarHBondContact O-N 3.47Å
10L37.7Very low40.6Very low117 Ų11797.8 Ų97.861%0.61353%0.525SS*.Hα-helixtrans-68-40177-110.5123.7000113.1S6 Q7 F13 D14S6-L10 PolarHBondContact O-N 2.94Å; S6-L10 VanDerWaalsContact O-N 3.09Å; Q7-L10 PolarHBondContact O-N 3.43Å; L10-F13 PolarHBondContact O-N 3.15Å; L10-D14 PolarHBondContact O-N 3.33Å
11E35.6Very low41.3Very low139 Ų13994.8 Ų94.865%0.6551%0.509SS*.Hα-helixtrans-67.8-33.8177.2-79.2-179.415800112.7Q7Q7-E11 PolarHBondContact O-N 3.23Å
12E33.7Very low42.4Very low132 Ų13291.2 Ų91.262%0.61749%0.49SS*.Hα-helixtrans-85.1-18.3177.5-147.7156.8-162.900112.4F8F8-E12 WeakPolarHBondContact O-CB 3.48Å; F8-E12 PolarHBondContact O-N 3.19Å; F8-E12 VanDerWaalsContact O-N 3.11Å
13F41.6Very low43.5Very low67 Ų6788.1 Ų88.129%0.29447%0.473SS..Hα-helixtrans-78.6-33176.2-99.1-126.4000114.5I9 L10 A15 L20 L23I9-F13 HydrophobicContact CG2-CD2 3.62Å; I9-F13 HydrophobicContact CG2-CE2 3.34Å; I9-F13 HydrophobicContact CG2-CG 4.41Å; I9-F13 HydrophobicContact CG2-CZ 3.9Å; I9-F13 WeakPolarHBondContact O-CB 3.22Å; I9-F13 WeakPolarHBondContact O-CD2 3.15Å; I9-F13 WeakPolarHBondContact O-CG 3.12Å; I9-F13 PolarHBondContact O-N 3.47Å; L10-F13 PolarHBondContact O-N 3.15Å; F13-A15 PolarHBondContact O-N 3.07Å; F13-L20 HydrophobicContact CD1-CD1 3.98Å; F13-L20 HydrophobicContact CD1-CG 4.29Å; F13-L23 HydrophobicContact CD1-CD1 4.48Å; F13-L23 HydrophobicContact CE1-CD1 3.34Å; F13-L23 HydrophobicContact CE2-CD1 3.79Å; F13-L23 HydrophobicContact CZ-CD1 2.96Å; F13-L23 HydrophobicContact CZ-CG 4.44Å
14D45.7Very low44.6Very low99 Ų9987 Ų8753%0.52946%0.461SS..THydrogen-bonded Turntrans-71.4-15.4179.4-100.9-15.7000112.7L10L10-D14 PolarHBondContact O-N 3.33Å
15A45.6Very low45.4Very low87 Ų8786.3 Ų86.372%0.71945%0.45SS*.THydrogen-bonded Turntrans-82.1-19.6-177.500000114.4F13F13-A15 PolarHBondContact O-N 3.07Å
16N54.8Low46Very low83 Ų8385.3 Ų85.344%0.44445%0.449SS..  trans-142.487.5-172.2-148.412.2000112.2S18 L19N16-S18 VanDerWaalsContact CG-OG 3.31Å; N16-S18 PolarHBondContact O-N 3.47Å; N16-S18 PolarHBondContact OD1-OG 3.35Å; N16-L19 HydrophobicContact CB-CB 4.29Å; N16-L19 WeakPolarHBondContact O-CB 3.29Å; N16-L19 PolarHBondContact O-N 3.07Å
17C63Low46.7Very low12 Ų1289.3 Ų89.38%0.08146%0.458CS..Hα-helixtrans-57.5-21.6-176.2-153.10000113.8D21 T47 C53C17-D21 PolarHBondContact O-N 2.86Å; C17-T47 WeakPolarHBondContact CB-OG1 3.33Å; C17-C53 WeakPolarHBondContact CA-SG 3.26Å; C17-C53 HydrophobicContact CB-CB 3.79Å; C17-C53 WeakPolarHBondContact CB-SG 3.18Å; C17-C53 WeakPolarHBondContact SG-CA 3.47Å; C17-C53 WeakPolarHBondContact SG-CB 3.25Å; C17-C53 CovalentContact SG-SG 2.03Å; C17-C53 PolarHBondContact SG-SG 3.3Å
18S53.5Low47.4Very low71 Ų7187.6 Ų87.650%0.49745%0.452SS..Hα-helixtrans-71.4-29.4173.4500000114N16 H22N16-S18 VanDerWaalsContact CG-OG 3.31Å; N16-S18 PolarHBondContact O-N 3.47Å; N16-S18 PolarHBondContact OD1-OG 3.35Å; S18-H22 PolarHBondContact O-N 3.33Å; S18-H22 VanDerWaalsContact O-N 3.15Å
19L57.3Low48Very low83 Ų8389.5 Ų89.544%0.43546%0.463SS..Hα-helixtrans-77-30.5179.7-148.8148000110.9N16 H22 L23N16-L19 HydrophobicContact CB-CB 4.29Å; N16-L19 WeakPolarHBondContact O-CB 3.29Å; N16-L19 PolarHBondContact O-N 3.07Å; L19-H22 PolarHBondContact O-N 3.21Å; L19-L23 HydrophobicContact CD2-CD1 3.71Å; L19-L23 HydrophobicContact CD2-CG 4.29Å; L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 WeakPolarHBondContact O-CG 3.19Å; L19-L23 PolarHBondContact O-N 2.94Å
20L56Low48.3Very low28 Ų2890.1 Ų90.115%0.14747%0.474CS..Hα-helixtrans-72.1-37.5174.9-149143.6000111.8F13 Q24 P55F13-L20 HydrophobicContact CD1-CD1 3.98Å; F13-L20 HydrophobicContact CD1-CG 4.29Å; L20-Q24 WeakPolarHBondContact O-CB 3.25Å; L20-Q24 PolarHBondContact O-N 3.23Å; L20-P55 HydrophobicContact CD2-CB 4.38Å
21D54.2Low48.2Very low34 Ų3486.6 Ų86.618%0.18246%0.459CS..Hα-helixtrans-64.7-41.9171.2-15132.3000110.5C17 L23 Q24 E25 A45 R56C17-D21 PolarHBondContact O-N 2.86Å; D21-L23 PolarHBondContact O-N 3.18Å; D21-Q24 PolarHBondContact O-N 3.44Å; D21-E25 PolarHBondContact O-N 2.89Å; D21-A45 HydrophobicContact CB-CB 4.33Å; D21-R56 IonicContact OD1-CZ 3.69Å; D21-R56 IonicContact OD1-NE 3.63Å; D21-R56 IonicContact OD1-NH2 2.62Å; D21-R56 IonicContact OD2-CZ 2.7Å; D21-R56 IonicContact OD2-NE 2.9Å; D21-R56 IonicContact OD2-NH2 3.59Å; D21-R56 PolarHBondContact OD2-NH2 2.92Å
22H52.3Low48.4Very low129 Ų12986.3 Ų86.360%0.59747%0.473SS*.Hα-helixtrans-67.6-36.5178.4-121.2-11.1000113.7S18 L19 E25 T26S18-H22 PolarHBondContact O-N 3.33Å; S18-H22 VanDerWaalsContact O-N 3.15Å; L19-H22 PolarHBondContact O-N 3.21Å; H22-E25 IonicContact ND1-OE2 3.97Å; H22-E25 PolarHBondContact O-N 2.99Å; H22-T26 PolarHBondContact O-N 3.45Å; H22-T26 PolarHBondContact O-OG1 3.49Å
23L52.2Low48.6Very low57 Ų5785.6 Ų85.630%0.29847%0.472SS..Hα-helixtrans-74.6-32.4176-80.1170.4000113.2F13 L19 D21 E25 T26 F27F13-L23 HydrophobicContact CD1-CD1 4.48Å; F13-L23 HydrophobicContact CE1-CD1 3.34Å; F13-L23 HydrophobicContact CE2-CD1 3.79Å; F13-L23 HydrophobicContact CZ-CD1 2.96Å; F13-L23 HydrophobicContact CZ-CG 4.44Å; L19-L23 HydrophobicContact CD2-CD1 3.71Å; L19-L23 HydrophobicContact CD2-CG 4.29Å; L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 WeakPolarHBondContact O-CG 3.19Å; L19-L23 PolarHBondContact O-N 2.94Å; D21-L23 PolarHBondContact O-N 3.18Å; L23-E25 VanDerWaalsContact C-N 3.31Å; L23-T26 WeakPolarHBondContact CA-OG1 2.94Å; L23-T26 PolarHBondContact O-N 2.86Å; L23-F27 WeakPolarHBondContact O-CB 3.25Å; L23-F27 PolarHBondContact O-N 3.34Å
24Q54.2Low48.3Very low84 Ų8487.9 Ų87.939%0.39349%0.493SS..Hα-helixtrans-64.5-40.5171-165144.4-31.900110.3L20 D21 I28L20-Q24 WeakPolarHBondContact O-CB 3.25Å; L20-Q24 PolarHBondContact O-N 3.23Å; D21-Q24 PolarHBondContact O-N 3.44Å; Q24-I28 HydrophobicContact CG-CD1 4.11Å; Q24-I28 WeakPolarHBondContact O-CB 3.46Å; Q24-I28 WeakPolarHBondContact O-CD1 3.44Å; Q24-I28 WeakPolarHBondContact O-CG1 3.49Å; Q24-I28 PolarHBondContact O-N 3.15Å; Q24-I28 VanDerWaalsContact O-N 3.16Å
25E50Low48Very low87 Ų8792.6 Ų92.641%0.40751%0.509SS..Hα-helixtrans-62.1-41.8171.6-74.4178.4172.500112.8D21 H22 L23 I28 E29 R56D21-E25 PolarHBondContact O-N 2.89Å; H22-E25 IonicContact ND1-OE2 3.97Å; H22-E25 PolarHBondContact O-N 2.99Å; L23-E25 VanDerWaalsContact C-N 3.31Å; E25-I28 PolarHBondContact O-N 3.5Å; E25-E29 PolarHBondContact O-N 3.32Å; E25-R56 IonicContact OE1-CZ 3.57Å; E25-R56 IonicContact OE1-NH1 2.78Å; E25-R56 PolarHBondContact OE1-NH1 2.7Å; E25-R56 IonicContact OE1-NH2 3.58Å; E25-R56 PolarHBondContact OE1-NH2 2.87Å
26T47.8Very low48Very low76 Ų7695 Ų9547%0.46651%0.509SS..Hα-helixtrans-75.5-30.8179.313.90000114.1H22 L23 I28 E29 S30H22-T26 PolarHBondContact O-N 3.45Å; H22-T26 PolarHBondContact O-OG1 3.49Å; L23-T26 WeakPolarHBondContact CA-OG1 2.94Å; L23-T26 PolarHBondContact O-N 2.86Å; T26-I28 VanDerWaalsContact C-N 3.34Å; T26-E29 PolarHBondContact O-N 3.11Å; T26-S30 PolarHBondContact O-N 3.05Å
27F46.6Very low47.6Very low153 Ų15392.8 Ų92.867%0.67151%0.506SS*.Hα-helixtrans-69.9-32.6173.3-110.1-91.7000112.2L23 E29 S30 S31L23-F27 WeakPolarHBondContact O-CB 3.25Å; L23-F27 PolarHBondContact O-N 3.34Å; F27-E29 VanDerWaalsContact C-N 3.35Å; F27-S30 PolarHBondContact O-N 3.46Å; F27-S30 PolarHBondContact O-OG 3.1Å; F27-S31 PolarHBondContact O-N 3.42Å; F27-S31 PolarHBondContact O-OG 3.14Å; F27-S31 VanDerWaalsContact O-OG 3.07Å
28I48.3Very low47.1Very low91 Ų9195.8 Ų95.847%0.46752%0.518SS..Hα-helixtrans-69.4-33175.8-67.9164.2000111.1Q24 E25 T26Q24-I28 HydrophobicContact CG-CD1 4.11Å; Q24-I28 WeakPolarHBondContact O-CB 3.46Å; Q24-I28 WeakPolarHBondContact O-CD1 3.44Å; Q24-I28 WeakPolarHBondContact O-CG1 3.49Å; Q24-I28 PolarHBondContact O-N 3.15Å; Q24-I28 VanDerWaalsContact O-N 3.16Å; E25-I28 PolarHBondContact O-N 3.5Å; T26-I28 VanDerWaalsContact C-N 3.34Å
29E42.4Very low47.3Very low170 Ų170100.8 Ų100.879%0.79454%0.539SS*.Hα-helixtrans-72.9-25.5176.2-98.4-177.9161.300114.4E25 T26 F27E25-E29 PolarHBondContact O-N 3.32Å; T26-E29 PolarHBondContact O-N 3.11Å; F27-E29 VanDerWaalsContact C-N 3.35Å
30S42.6Very low48Very low93 Ų9398.8 Ų98.865%0.6554%0.539SS*.Hα-helixtrans-93.7-11.6-175.565.20000114.9T26 F27T26-S30 PolarHBondContact O-N 3.05Å; F27-S30 PolarHBondContact O-N 3.46Å; F27-S30 PolarHBondContact O-OG 3.1Å
31S35Very low49.2Very low44 Ų44101 Ų10131%0.30856%0.555SS.*SBendtrans-110.5122.4177.658.20000109.4F27 I33F27-S31 PolarHBondContact O-N 3.42Å; F27-S31 PolarHBondContact O-OG 3.14Å; F27-S31 VanDerWaalsContact O-OG 3.07Å; S31-I33 PolarHBondContact O-N 3.29Å
32S38.8Very low50.6Low133 Ų133104.2 Ų104.293%0.9357%0.565SS**  trans-71.34917542.10000112
33I38.8Very low52.2Low117 Ų11798.1 Ų98.160%0.654%0.537SS*.  trans-89.4135.7172.7-59.9175.2000106.2S31 F35S31-I33 PolarHBondContact O-N 3.29Å; I33-F35 PolarHBondContact O-N 3.08Å
34P35.8Very low53.8Low114 Ų11499.8 Ų99.874%0.7455%0.546SS*.  trans-52.3135.3176.5-17.828.6000108.6L36P34-L36 PolarHBondContact O-N 2.97Å
35F39Very low55.2Low198 Ų19897.1 Ų97.187%0.86854%0.538SS*.  trans-31.9108.4172.2-88.1-97.8000110.1I33 G37I33-F35 PolarHBondContact O-N 3.08Å; F35-G37 PolarHBondContact O-N 3.4Å
36L45.9Very low56.8Low138 Ų13895.2 Ų95.272%0.72353%0.533SS*.  trans-71.757.7147.9-109.9156.3000105.8P34 F38P34-L36 PolarHBondContact O-N 2.97Å; L36-F38 PolarHBondContact O-N 3.29Å
37G45.3Very low58.5Low36 Ų3695.4 Ų95.437%0.37153%0.534SS..  trans-60.9119162.500000104F35 D39F35-G37 PolarHBondContact O-N 3.4Å; G37-D39 PolarHBondContact O-N 2.8Å
38F52.2Low60.2Low76 Ų7689.3 Ų89.333%0.33351%0.508SS..  trans-64.186.4168.9-66.2-84.8000106.9L36 G40 Y42 R56L36-F38 PolarHBondContact O-N 3.29Å; F38-G40 PolarHBondContact O-N 3.49Å; F38-Y42 HydrophobicContact CB-CD1 4.1Å; F38-R56 HydrophobicContact CE2-CG 4.45Å; F38-R56 HydrophobicContact CZ-CG 4.46Å
39D59.5Low61.6Low175 Ų17594.6 Ų94.694%0.93653%0.531SS*.  trans-74.774.3169.3-85.1-21.6000107.3G37G37-D39 PolarHBondContact O-N 2.8Å
40G70.4Confident63.1Low42 Ų4289.1 Ų89.143%0.43351%0.507SS..SBendtrans155.3174.4-178.500000114.3F38F38-G40 PolarHBondContact O-N 3.49Å
41P81.6Confident64.6Low74 Ų7486.8 Ų86.848%0.48150%0.497SS..  trans-60.3143.1172.124.8-30.5000110.6A59P41-A59 HydrophobicContact CB-CB 4.2Å; P41-A59 HydrophobicContact CG-CB 3.82Å; P41-A59 WeakPolarHBondContact O-CB 3.37Å; P41-A59 PolarHBondContact O-N 3.19Å
42Y84.1Confident66.9Low101 Ų10185.3 Ų85.340%0.39649%0.487SS..EExtended strand (participates in β ladder)trans-139.5155.4179.661.6-90.5000110.4F38 N44 R56 T57F38-Y42 HydrophobicContact CB-CD1 4.1Å; Y42-N44 VanDerWaalsContact CE2-OD1 3.24Å; Y42-N44 WeakPolarHBondContact CE2-OD1 3.36Å; Y42-R56 HydrophobicContact CD2-CG 3.83Å; Y42-R56 HydrophobicContact CE2-CG 4.34Å; Y42-T57 CarbonylContact C-O 3.43Å; Y42-T57 WeakPolarHBondContact CA-O 3.38Å; Y42-T57 WeakPolarHBondContact CB-O 3.46Å
43C86Confident69Low1 Ų179.1 Ų79.11%0.00744%0.443CS..EExtended strand (participates in β ladder)trans-93.1129.6174-65.10000110.6R56 T57 C86 G90 T91 W92C43-R56 WeakPolarHBondContact O-CA 3.26Å; C43-R56 WeakPolarHBondContact O-CG 3.03Å; C43-T57 PolarHBondContact N-O 3.29Å; C43-T57 PolarHBondContact O-N 2.75Å; C43-T57 VanDerWaalsContact O-N 3.09Å; C43-C86 HydrophobicContact CB-CB 3.9Å; C43-C86 WeakPolarHBondContact CB-SG 3.44Å; C43-C86 PolarHBondContact N-SG 3.46Å; C43-C86 VanDerWaalsContact SG-CA 3.5Å; C43-C86 WeakPolarHBondContact SG-CB 3.38Å; C43-C86 CovalentContact SG-SG 2.03Å; C43-C86 PolarHBondContact SG-SG 2.98Å; C43-G90 VanDerWaalsContact SG-C 3.57Å; C43-T91 PolarHBondContact SG-O 2.98Å; C43-W92 HydrophobicContact CB-CD2 3.71Å; C43-W92 HydrophobicContact CB-CE3 4.2Å; C43-W92 HydrophobicContact CB-CG 4.14Å; C43-W92 HydrophobicContact CB-CH2 4.18Å; C43-W92 HydrophobicContact CB-CZ2 3.66Å; C43-W92 HydrophobicContact CB-CZ3 4.43Å
44N85.7Confident71.2Confident93 Ų9373.6 Ų73.650%0.49742%0.415SS..PPolyproline II helixtrans-67.9154.2177.4-77.1-26000112.7Y42 T46 W92Y42-N44 VanDerWaalsContact CE2-OD1 3.24Å; Y42-N44 WeakPolarHBondContact CE2-OD1 3.36Å; N44-T46 PolarHBondContact O-N 2.9Å; N44-W92 PolarHBondContact O-NE1 2.9Å
45A83.3Confident73.5Confident27 Ų2769 Ų6922%0.22339%0.385CS..PPolyproline II helixtrans-61.2129.9172.700000110.7D21 W54D21-A45 HydrophobicContact CB-CB 4.33Å; A45-W54 CarbonylContact C-O 3.31Å; A45-W54 WeakPolarHBondContact CA-O 3.37Å
46T84.4Confident75.6Confident47 Ų4762.4 Ų62.429%0.28835%0.354SS..EExtended strand (participates in β ladder)trans-144.2143.9-178.8560000111.6N44 W54 R84 W92N44-T46 PolarHBondContact O-N 2.9Å; T46-W54 PolarHBondContact N-O 3.03Å; T46-W54 WeakPolarHBondContact O-CB 3.33Å; T46-W54 PolarHBondContact O-N 3.06Å; T46-R84 PolarHBondContact OG1-NH1 2.98Å; T46-W92 PolarHBondContact OG1-NE1 3.32Å
47T82.2Confident77.4Confident81 Ų8156.1 Ų56.150%0.49732%0.322SS..EExtended strand (participates in β ladder)trans-92137.3167.8-47.30000109.2C17C17-T47 WeakPolarHBondContact CB-OG1 3.33Å
48D82.6Confident79.4Confident25 Ų2555.7 Ų55.713%0.13431%0.313CS..  trans-85.3-179174.470.417.1000113.2I50 G51 T52 W54 I96 Y98D48-I50 PolarHBondContact O-N 3.45Å; D48-I50 WeakPolarHBondContact OD1-CA 3.39Å; D48-I50 PolarHBondContact OD1-N 2.95Å; D48-G51 PolarHBondContact O-N 2.91Å; D48-G51 PolarHBondContact OD1-N 3.44Å; D48-T52 PolarHBondContact N-O 2.87Å; D48-T52 VanDerWaalsContact N-O 3.11Å; D48-T52 PolarHBondContact OD1-N 3.31Å; D48-T52 WeakPolarHBondContact OD2-CB 3.46Å; D48-W54 PolarHBondContact OD2-NE1 3.34Å; D48-I96 HydrophobicContact CB-CD1 3.71Å; D48-Y98 PolarHBondContact OD2-OH 2.91Å
49Q78.4Confident81Confident202 Ų20253.5 Ų53.594%0.94431%0.309SS*.THydrogen-bonded Turntrans-68.4-13.8-178.6-63.9-178.92.600113.9
50I73.8Confident82.2Confident55 Ų5547.7 Ų47.728%0.28229%0.29SS..THydrogen-bonded Turntrans-97.2-12.5-177.9-63.1175.3000110.3D48 P68 F71 Y98D48-I50 PolarHBondContact O-N 3.45Å; D48-I50 WeakPolarHBondContact OD1-CA 3.39Å; D48-I50 PolarHBondContact OD1-N 2.95Å; I50-P68 HydrophobicContact CG2-CB 4.34Å; I50-P68 HydrophobicContact CG2-CG 3.87Å; I50-F71 HydrophobicContact CB-CD2 4.15Å; I50-F71 HydrophobicContact CB-CE2 4.03Å; I50-F71 HydrophobicContact CD1-CZ 4.47Å; I50-F71 HydrophobicContact CG1-CD2 4.19Å; I50-F71 HydrophobicContact CG1-CE2 3.69Å; I50-F71 HydrophobicContact CG1-CZ 3.91Å; I50-F71 HydrophobicContact CG2-CB 4.36Å; I50-F71 HydrophobicContact CG2-CD2 3.53Å; I50-F71 HydrophobicContact CG2-CE2 3.93Å; I50-F71 HydrophobicContact CG2-CG 3.99Å; I50-Y98 HydrophobicContact CD1-CD2 4.34Å; I50-Y98 HydrophobicContact CD1-CE2 3.98Å
51G74.3Confident83Confident44 Ų4450.9 Ų50.945%0.45429%0.293SS..SBendtrans97.55.7-179.200000113.8D48D48-G51 PolarHBondContact O-N 2.91Å; D48-G51 PolarHBondContact OD1-N 3.44Å
52T82.1Confident83.3Confident13 Ų1352.8 Ų52.88%0.0830%0.299CS..PPolyproline II helixtrans-77.4128178.7-50.10000110.2D48 W54 R65 Y98D48-T52 PolarHBondContact N-O 2.87Å; D48-T52 VanDerWaalsContact N-O 3.11Å; D48-T52 PolarHBondContact OD1-N 3.31Å; D48-T52 WeakPolarHBondContact OD2-CB 3.46Å; T52-W54 HydrophobicContact CG2-CZ2 4.21Å; T52-R65 HydrophobicContact CG2-CB 4.17Å; T52-Y98 VanDerWaalsContact CB-OH 3.3Å; T52-Y98 WeakPolarHBondContact CB-OH 3.38Å; T52-Y98 PolarHBondContact OG1-OH 3.36Å
53C84.3Confident83.5Confident3 Ų348.9 Ų48.92%0.0229%0.286CS..EExtended strand (participates in β ladder)trans-85.1119.9178.9174.80000112.7C17 R65C17-C53 WeakPolarHBondContact CA-SG 3.26Å; C17-C53 HydrophobicContact CB-CB 3.79Å; C17-C53 WeakPolarHBondContact CB-SG 3.18Å; C17-C53 WeakPolarHBondContact SG-CA 3.47Å; C17-C53 WeakPolarHBondContact SG-CB 3.25Å; C17-C53 CovalentContact SG-SG 2.03Å; C17-C53 PolarHBondContact SG-SG 3.3Å; C53-R65 PolarHBondContact O-NE 2.99Å
54W84.3Confident83.6Confident0 Ų054.2 Ų54.20%031%0.31CS..EExtended strand (participates in β ladder)trans-101.2118.7174.2-6191.3000109.9A45 T46 D48 T52 V63 R65 A82 R84 W92 I96A45-W54 CarbonylContact C-O 3.31Å; A45-W54 WeakPolarHBondContact CA-O 3.37Å; T46-W54 PolarHBondContact N-O 3.03Å; T46-W54 WeakPolarHBondContact O-CB 3.33Å; T46-W54 PolarHBondContact O-N 3.06Å; D48-W54 PolarHBondContact OD2-NE1 3.34Å; T52-W54 HydrophobicContact CG2-CZ2 4.21Å; W54-V63 HydrophobicContact CE3-CB 4.26Å; W54-V63 HydrophobicContact CE3-CG1 4.08Å; W54-V63 HydrophobicContact CZ3-CB 4.21Å; W54-V63 HydrophobicContact CZ3-CG1 4.14Å; W54-R65 HydrophobicContact CE3-CG 4.11Å; W54-R65 HydrophobicContact CH2-CB 4.26Å; W54-R65 HydrophobicContact CH2-CG 4.37Å; W54-R65 HydrophobicContact CZ3-CB 4.27Å; W54-R65 HydrophobicContact CZ3-CG 3.94Å; W54-A82 HydrophobicContact CH2-CB 4.32Å; W54-R84 HydrophobicContact CD2-CB 3.82Å; W54-R84 VanDerWaalsContact CD2-CD 3.48Å; W54-R84 HydrophobicContact CD2-CG 4.32Å; W54-R84 HydrophobicContact CE3-CB 3.45Å; W54-R84 VanDerWaalsContact CE3-CB 3.45Å; W54-R84 HydrophobicContact CE3-CG 4.34Å; W54-R84 VanDerWaalsContact CG-NH1 3.34Å; W54-R84 HydrophobicContact CH2-CB 3.53Å; W54-R84 HydrophobicContact CZ2-CB 3.88Å; W54-R84 HydrophobicContact CZ3-CB 3.29Å; W54-W92 HydrophobicContact CB-CH2 4.15Å; W54-W92 HydrophobicContact CB-CZ2 4.04Å; W54-I96 HydrophobicContact CH2-CG2 4.11Å; W54-I96 HydrophobicContact CZ2-CG2 3.51Å
55P84.8Confident83.6Confident17 Ų1752.5 Ų52.511%0.1130%0.297CS..PPolyproline II helixtrans-77.1168.5-176.733.7-33.9000111.7L20 T57 V63 W92L20-P55 HydrophobicContact CD2-CB 4.38Å; P55-T57 PolarHBondContact O-N 3.04Å; P55-T57 PolarHBondContact O-OG1 3.23Å; P55-V63 HydrophobicContact CG-CG1 4.26Å; P55-W92 WeakPolarHBondContact O-CZ2 3.34Å
56R83.1Confident83.6Confident61 Ų6154.4 Ų54.423%0.2331%0.307CS..PPolyproline II helixtrans-60.8130.8173.5-168-179.9-65.1170.85.5110.4D21 E25 F38 Y42 C43D21-R56 IonicContact OD1-CZ 3.69Å; D21-R56 IonicContact OD1-NE 3.63Å; D21-R56 IonicContact OD1-NH2 2.62Å; D21-R56 IonicContact OD2-CZ 2.7Å; D21-R56 IonicContact OD2-NE 2.9Å; D21-R56 IonicContact OD2-NH2 3.59Å; D21-R56 PolarHBondContact OD2-NH2 2.92Å; E25-R56 IonicContact OE1-CZ 3.57Å; E25-R56 IonicContact OE1-NH1 2.78Å; E25-R56 PolarHBondContact OE1-NH1 2.7Å; E25-R56 IonicContact OE1-NH2 3.58Å; E25-R56 PolarHBondContact OE1-NH2 2.87Å; F38-R56 HydrophobicContact CE2-CG 4.45Å; F38-R56 HydrophobicContact CZ-CG 4.46Å; Y42-R56 HydrophobicContact CD2-CG 3.83Å; Y42-R56 HydrophobicContact CE2-CG 4.34Å; C43-R56 WeakPolarHBondContact O-CA 3.26Å; C43-R56 WeakPolarHBondContact O-CG 3.03Å
57T83.9Confident83.6Confident6 Ų652.3 Ų52.34%0.03730%0.295CS..EExtended strand (participates in β ladder)trans-140.5143.4-168.7-54.70000111.1Y42 C43 P55 E61 V63 C86 W92Y42-T57 CarbonylContact C-O 3.43Å; Y42-T57 WeakPolarHBondContact CA-O 3.38Å; Y42-T57 WeakPolarHBondContact CB-O 3.46Å; C43-T57 PolarHBondContact N-O 3.29Å; C43-T57 PolarHBondContact O-N 2.75Å; C43-T57 VanDerWaalsContact O-N 3.09Å; P55-T57 PolarHBondContact O-N 3.04Å; P55-T57 PolarHBondContact O-OG1 3.23Å; T57-E61 HydrophobicContact CG2-CB 3.76Å; T57-V63 HydrophobicContact CG2-CG2 3.28Å; T57-V63 WeakPolarHBondContact OG1-CG2 3.38Å; T57-C86 HydrophobicContact CG2-CB 4.14Å; T57-W92 WeakPolarHBondContact OG1-CH2 3.35Å
58S85.9Confident83.7Confident27 Ų2749.7 Ų49.719%0.18928%0.279CS..EExtended strand (participates in β ladder)trans-70.7153.2177.877.30000112G60 E61 C86S58-G60 PolarHBondContact O-N 3.35Å; S58-E61 PolarHBondContact O-N 2.93Å; S58-E61 VanDerWaalsContact OG-CG 3.26Å; S58-E61 WeakPolarHBondContact OG-CG 3.21Å; S58-E61 PolarHBondContact OG-OE1 3.43Å; S58-E61 PolarHBondContact OG-OE2 2.96Å; S58-C86 WeakPolarHBondContact O-CB 3.36Å; S58-C86 PolarHBondContact O-SG 2.91Å
59A87.1Confident83.5Confident30 Ų3052.5 Ų52.525%0.24829%0.291CS..THydrogen-bonded Turntrans-65.4131.6177.500000112.2P41 L87P41-A59 HydrophobicContact CB-CB 4.2Å; P41-A59 HydrophobicContact CG-CB 3.82Å; P41-A59 WeakPolarHBondContact O-CB 3.37Å; P41-A59 PolarHBondContact O-N 3.19Å; A59-L87 WeakPolarHBondContact CB-O 3.22Å
60G84.6Confident83.2Confident52 Ų5248.7 Ų48.754%0.53627%0.272SS..THydrogen-bonded Turntrans93.7-2.4-178.500000114.8S58 C86S58-G60 PolarHBondContact O-N 3.35Å; G60-C86 VanDerWaalsContact CA-O 3.29Å; G60-C86 WeakPolarHBondContact CA-O 3.25Å; G60-C86 PolarHBondContact N-O 2.96Å
61E86.3Confident83.3Confident109 Ų10949 Ų4951%0.50927%0.271SS..PPolyproline II helixtrans-92.1146.3178.7-80.2179.9-164.300113.6T57 S58 C86T57-E61 HydrophobicContact CG2-CB 3.76Å; S58-E61 PolarHBondContact O-N 2.93Å; S58-E61 VanDerWaalsContact OG-CG 3.26Å; S58-E61 WeakPolarHBondContact OG-CG 3.21Å; S58-E61 PolarHBondContact OG-OE1 3.43Å; S58-E61 PolarHBondContact OG-OE2 2.96Å; E61-C86 PolarHBondContact O-N 3.31Å
62L88.2Confident83Confident114 Ų11453.5 Ų53.560%0.59729%0.285SS*.EExtended strand (participates in β ladder)trans-101122.5171.7-173.275.2000109.3Y83 E85L62-Y83 HydrophobicContact CD2-CD1 4.03Å; L62-Y83 HydrophobicContact CG-CD1 4.44Å; L62-E85 HydrophobicContact CD1-CB 3.92Å
63V88.9Confident82.1Confident20 Ų2055.6 Ų55.612%0.12131%0.309CS..EExtended strand (participates in β ladder)trans-102.1139.4179.6-1780000109.9W54 P55 T57 Y83 R84 W92W54-V63 HydrophobicContact CE3-CB 4.26Å; W54-V63 HydrophobicContact CE3-CG1 4.08Å; W54-V63 HydrophobicContact CZ3-CB 4.21Å; W54-V63 HydrophobicContact CZ3-CG1 4.14Å; P55-V63 HydrophobicContact CG-CG1 4.26Å; T57-V63 HydrophobicContact CG2-CG2 3.28Å; T57-V63 WeakPolarHBondContact OG1-CG2 3.38Å; V63-Y83 VanDerWaalsContact O-CA 3.3Å; V63-Y83 WeakPolarHBondContact O-CA 3.35Å; V63-R84 PolarHBondContact N-O 3.43Å; V63-R84 PolarHBondContact O-N 2.96Å; V63-W92 HydrophobicContact CG2-CH2 4.44Å
64E87.7Confident81.4Confident112 Ų11258.4 Ų58.452%0.52332%0.323SS..EExtended strand (participates in β ladder)trans-110.6141.8171.162.7177-179.900112.1N81 A82 Y83E64-N81 HydrophobicContact CB-CB 4.23Å; E64-N81 PolarHBondContact OE2-ND2 3.42Å; E64-A82 WeakPolarHBondContact CA-O 3.37Å; E64-Y83 HydrophobicContact CB-CD1 3.93Å; E64-Y83 HydrophobicContact CB-CE1 3.93Å
65R84.7Confident81.2Confident58 Ų5862.9 Ų62.922%0.21934%0.342CS..EExtended strand (participates in β ladder)trans-135.9147.5172.7-74.9-61.6-157.4-171.80.2109.4T52 C53 W54 N81 A82T52-R65 HydrophobicContact CG2-CB 4.17Å; C53-R65 PolarHBondContact O-NE 2.99Å; W54-R65 HydrophobicContact CE3-CG 4.11Å; W54-R65 HydrophobicContact CH2-CB 4.26Å; W54-R65 HydrophobicContact CH2-CG 4.37Å; W54-R65 HydrophobicContact CZ3-CB 4.27Å; W54-R65 HydrophobicContact CZ3-CG 3.94Å; R65-N81 CarbonylContact O-C 3.52Å; R65-N81 WeakPolarHBondContact O-CA 3.48Å; R65-N81 WeakPolarHBondContact O-CB 3.4Å; R65-A82 PolarHBondContact N-O 3.38Å; R65-A82 PolarHBondContact O-N 3.35Å
66P83.3Confident80.8Confident66 Ų6664.2 Ų64.243%0.42935%0.346SS..EExtended strand (participates in β ladder)trans-59.4148.5172.627.1-34000110.5
67C86Confident80.6Confident4 Ų464.2 Ų64.23%0.02735%0.35CS..PPolyproline II helixtrans-60.3145173.8-65.30000110.8R80 C101C67-R80 PolarHBondContact N-O 3.27Å; C67-R80 VanDerWaalsContact SG-C 3.56Å; C67-R80 PolarHBondContact SG-O 3.39Å; C67-C101 HydrophobicContact CB-CB 3.79Å; C67-C101 WeakPolarHBondContact CB-SG 3.44Å; C67-C101 WeakPolarHBondContact SG-CA 3.47Å; C67-C101 WeakPolarHBondContact SG-CB 3.38Å; C67-C101 CovalentContact SG-SG 2.03Å; C67-C101 PolarHBondContact SG-SG 3.25Å
68P83.4Confident80.5Confident26 Ų2667.3 Ų67.317%0.16937%0.369CS..PPolyproline II helixtrans-61.9139.8-179.725.8-35000110.9I50 F70 Y76I50-P68 HydrophobicContact CG2-CB 4.34Å; I50-P68 HydrophobicContact CG2-CG 3.87Å; P68-F70 PolarHBondContact O-N 3.2Å; P68-Y76 WeakPolarHBondContact O-CB 3.34Å
69E77.8Confident80.3Confident83 Ų8371.6 Ų71.639%0.38839%0.394SS..SBendtrans-67-39.9-178.6-166.9-177.2177.700111.8K75 Y76 T78E69-K75 WeakPolarHBondContact O-CA 3.42Å; E69-K75 VanDerWaalsContact OE1-CE 3.22Å; E69-K75 WeakPolarHBondContact OE1-CE 3.32Å; E69-K75 IonicContact OE1-NZ 3.11Å; E69-K75 PolarHBondContact OE1-NZ 2.89Å; E69-Y76 PolarHBondContact O-N 3.48Å; E69-T78 HydrophobicContact CB-CG2 3.96Å; E69-T78 HydrophobicContact CG-CG2 4.12Å
70F72.3Confident80.1Confident123 Ų12376.3 Ų76.354%0.53941%0.406SS..EExtended strand (participates in β ladder)trans-133.2130.3-179.9-68.5-82.9000111.8P68 I74 K75P68-F70 PolarHBondContact O-N 3.2Å; F70-I74 WeakPolarHBondContact CA-O 3.43Å; F70-K75 HydrophobicContact CD1-CB 4.26Å; F70-K75 HydrophobicContact CE1-CB 3.9Å; F70-K75 HydrophobicContact CE1-CD 4.22Å; F70-K75 HydrophobicContact CE1-CG 4.02Å; F70-K75 HydrophobicContact CZ-CD 4.04Å; F70-K75 HydrophobicContact CZ-CG 4.19Å
71F76.8Confident80.3Confident62 Ų6275.9 Ų75.927%0.27239%0.391SS..EExtended strand (participates in β ladder)trans-136.5127.8168-179.8-115.7000109.6I50 G73 I74 Y76I50-F71 HydrophobicContact CB-CD2 4.15Å; I50-F71 HydrophobicContact CB-CE2 4.03Å; I50-F71 HydrophobicContact CD1-CZ 4.47Å; I50-F71 HydrophobicContact CG1-CD2 4.19Å; I50-F71 HydrophobicContact CG1-CE2 3.69Å; I50-F71 HydrophobicContact CG1-CZ 3.91Å; I50-F71 HydrophobicContact CG2-CB 4.36Å; I50-F71 HydrophobicContact CG2-CD2 3.53Å; I50-F71 HydrophobicContact CG2-CE2 3.93Å; I50-F71 HydrophobicContact CG2-CG 3.99Å; F71-G73 PolarHBondContact O-N 2.97Å; F71-G73 VanDerWaalsContact O-N 3.12Å; F71-I74 PolarHBondContact N-O 3.47Å; F71-I74 PolarHBondContact O-N 3.42Å; F71-Y76 HydrophobicContact CB-CD2 4.37Å; F71-Y76 HydrophobicContact CB-CE2 3.88Å
72N67.2Low80.4Confident137 Ų13770.7 Ų70.773%0.73337%0.367SS*.THydrogen-bonded Turntrans48.636.3-176.1-69.3-17.6000114.5I74N72-I74 VanDerWaalsContact C-N 3.32Å; N72-I74 PolarHBondContact O-N 3.41Å
73G64.4Low80.5Confident57 Ų5767.8 Ų67.859%0.58835%0.348SS*.THydrogen-bonded Turntrans7612.5-179.900000115.4F71 K108F71-G73 PolarHBondContact O-N 2.97Å; F71-G73 VanDerWaalsContact O-N 3.12Å; G73-K108 PolarHBondContact O-NZ 3.33Å
74I69.8Low80.5Confident62 Ų6268.3 Ų68.332%0.31835%0.348SS..EExtended strand (participates in β ladder)trans-109.8132.7176.2-56.3173.6000108.7F70 F71 N72 Y76 P103 L105F70-I74 WeakPolarHBondContact CA-O 3.43Å; F71-I74 PolarHBondContact N-O 3.47Å; F71-I74 PolarHBondContact O-N 3.42Å; N72-I74 VanDerWaalsContact C-N 3.32Å; N72-I74 PolarHBondContact O-N 3.41Å; I74-Y76 HydrophobicContact CB-CE2 4.03Å; I74-Y76 HydrophobicContact CG2-CD2 4.49Å; I74-Y76 HydrophobicContact CG2-CE2 4Å; I74-Y76 WeakPolarHBondContact O-CD2 3.31Å; I74-P103 HydrophobicContact CG2-CB 3.89Å; I74-L105 HydrophobicContact CG2-CD1 4.11Å
75K78.6Confident80.6Confident94 Ų9467.4 Ų67.441%0.40934%0.344SS..EExtended strand (participates in β ladder)trans-85.3132.7178.8-164.9170.7-172.6157.60110.7E69 F70 I104E69-K75 WeakPolarHBondContact O-CA 3.42Å; E69-K75 VanDerWaalsContact OE1-CE 3.22Å; E69-K75 WeakPolarHBondContact OE1-CE 3.32Å; E69-K75 IonicContact OE1-NZ 3.11Å; E69-K75 PolarHBondContact OE1-NZ 2.89Å; F70-K75 HydrophobicContact CD1-CB 4.26Å; F70-K75 HydrophobicContact CE1-CB 3.9Å; F70-K75 HydrophobicContact CE1-CD 4.22Å; F70-K75 HydrophobicContact CE1-CG 4.02Å; F70-K75 HydrophobicContact CZ-CD 4.04Å; F70-K75 HydrophobicContact CZ-CG 4.19Å; K75-I104 HydrophobicContact CG-CD1 4.37Å; K75-I104 PolarHBondContact O-N 3.37Å
76Y77.6Confident80.9Confident46 Ų4664.7 Ų64.718%0.1833%0.334CS..BIsolated β-bridgetrans-113.3159.9178.8-72-104.9000111.5P68 E69 F71 I74 T78 C101 P103P68-Y76 WeakPolarHBondContact O-CB 3.34Å; E69-Y76 PolarHBondContact O-N 3.48Å; F71-Y76 HydrophobicContact CB-CD2 4.37Å; F71-Y76 HydrophobicContact CB-CE2 3.88Å; I74-Y76 HydrophobicContact CB-CE2 4.03Å; I74-Y76 HydrophobicContact CG2-CD2 4.49Å; I74-Y76 HydrophobicContact CG2-CE2 4Å; I74-Y76 WeakPolarHBondContact O-CD2 3.31Å; Y76-T78 PolarHBondContact O-N 3.45Å; Y76-C101 HydrophobicContact CD1-CB 4.39Å; Y76-P103 HydrophobicContact CD1-CB 4.08Å; Y76-P103 HydrophobicContact CE1-CB 3.82Å; Y76-P103 HydrophobicContact CE1-CG 4.41Å
77N77.7Confident81.1Confident60 Ų6064.5 Ų64.532%0.32133%0.329SS..  trans-78.2109.4177.8-171.6-13.1000111T79 E102 I104N77-T79 PolarHBondContact O-N 3.22Å; N77-T79 WeakPolarHBondContact OD1-CB 3.19Å; N77-T79 PolarHBondContact OD1-N 3.16Å; N77-T79 PolarHBondContact OD1-OG1 2.96Å; N77-E102 PolarHBondContact N-O 2.95Å; N77-I104 HydrophobicContact CB-CD1 4.4Å; N77-I104 HydrophobicContact CB-CG1 4.26Å
78T81.6Confident81.2Confident71 Ų7167.1 Ų67.144%0.43636%0.357SS..THydrogen-bonded Turntrans-74.7-6.4-179.954.60000114.1E69 Y76 R80E69-T78 HydrophobicContact CB-CG2 3.96Å; E69-T78 HydrophobicContact CG-CG2 4.12Å; Y76-T78 PolarHBondContact O-N 3.45Å; T78-R80 PolarHBondContact O-N 2.86Å
79T81.5Confident81.4Confident117 Ų11770.9 Ų70.972%0.71838%0.375SS*.THydrogen-bonded Turntrans-74.3-13.5176.2-39.40000112.4N77N77-T79 PolarHBondContact O-N 3.22Å; N77-T79 WeakPolarHBondContact OD1-CB 3.19Å; N77-T79 PolarHBondContact OD1-N 3.16Å; N77-T79 PolarHBondContact OD1-OG1 2.96Å
80R83.8Confident81.6Confident130 Ų13067.8 Ų67.849%0.49137%0.365SS..SBendtrans-101.4156.2179.1-63.8-68.4-166.4179.51.5109.9C67 T78 Q100C67-R80 PolarHBondContact N-O 3.27Å; C67-R80 VanDerWaalsContact SG-C 3.56Å; C67-R80 PolarHBondContact SG-O 3.39Å; T78-R80 PolarHBondContact O-N 2.86Å; R80-Q100 HydrophobicContact CB-CB 4.17Å; R80-Q100 VanDerWaalsContact CB-O 3.22Å; R80-Q100 WeakPolarHBondContact CB-O 3.39Å; R80-Q100 WeakPolarHBondContact CG-O 3.33Å
81N88.8Confident82.3Confident43 Ų4365.1 Ų65.123%0.2336%0.359CS..EExtended strand (participates in β ladder)trans-112.3145.1-178-65-8.7000111.7E64 R65 Y83E64-N81 HydrophobicContact CB-CB 4.23Å; E64-N81 PolarHBondContact OE2-ND2 3.42Å; R65-N81 CarbonylContact O-C 3.52Å; R65-N81 WeakPolarHBondContact O-CA 3.48Å; R65-N81 WeakPolarHBondContact O-CB 3.4Å; N81-Y83 HydrophobicContact CB-CE2 4.46Å; N81-Y83 VanDerWaalsContact O-CE2 3.29Å; N81-Y83 WeakPolarHBondContact O-CE2 3.35Å
82A88.6Confident82.9Confident0 Ų064 Ų640%035%0.353CS..EExtended strand (participates in β ladder)trans-96150.5164.500000110W54 E64 R65 N97 Y98W54-A82 HydrophobicContact CH2-CB 4.32Å; E64-A82 WeakPolarHBondContact CA-O 3.37Å; R65-A82 PolarHBondContact N-O 3.38Å; R65-A82 PolarHBondContact O-N 3.35Å; A82-N97 WeakPolarHBondContact CA-O 3.47Å; A82-Y98 HydrophobicContact CB-CD1 3.57Å; A82-Y98 HydrophobicContact CB-CE1 3.45Å; A82-Y98 VanDerWaalsContact CB-CE1 3.45Å; A82-Y98 HydrophobicContact CB-CG 4.34Å
83Y89.8Confident83.9Confident53 Ų5358.1 Ų58.121%0.20832%0.324CS..EExtended strand (participates in β ladder)trans-123.9140.6-175.8-51-95.9000112L62 V63 E64 N81 I96 N97 Q100L62-Y83 HydrophobicContact CD2-CD1 4.03Å; L62-Y83 HydrophobicContact CG-CD1 4.44Å; V63-Y83 VanDerWaalsContact O-CA 3.3Å; V63-Y83 WeakPolarHBondContact O-CA 3.35Å; E64-Y83 HydrophobicContact CB-CD1 3.93Å; E64-Y83 HydrophobicContact CB-CE1 3.93Å; N81-Y83 HydrophobicContact CB-CE2 4.46Å; N81-Y83 VanDerWaalsContact O-CE2 3.29Å; N81-Y83 WeakPolarHBondContact O-CE2 3.35Å; Y83-I96 WeakPolarHBondContact O-CG2 3.26Å; Y83-N97 PolarHBondContact N-O 3.35Å; Y83-N97 PolarHBondContact O-N 2.72Å; Y83-Q100 HydrophobicContact CE2-CG 4.41Å; Y83-Q100 PolarHBondContact OH-OE1 2.87Å; Y83-Q100 VanDerWaalsContact OH-OE1 3.13Å
84R88.4Confident84.9Confident31 Ų3161.8 Ų61.812%0.11734%0.34CS..EExtended strand (participates in β ladder)trans-138.8134.2173.1-165.6177.9-172.5-169.9-3.5110.4T46 W54 V63 W92 I96T46-R84 PolarHBondContact OG1-NH1 2.98Å; W54-R84 HydrophobicContact CD2-CB 3.82Å; W54-R84 VanDerWaalsContact CD2-CD 3.48Å; W54-R84 HydrophobicContact CD2-CG 4.32Å; W54-R84 HydrophobicContact CE3-CB 3.45Å; W54-R84 VanDerWaalsContact CE3-CB 3.45Å; W54-R84 HydrophobicContact CE3-CG 4.34Å; W54-R84 VanDerWaalsContact CG-NH1 3.34Å; W54-R84 HydrophobicContact CH2-CB 3.53Å; W54-R84 HydrophobicContact CZ2-CB 3.88Å; W54-R84 HydrophobicContact CZ3-CB 3.29Å; V63-R84 PolarHBondContact N-O 3.43Å; V63-R84 PolarHBondContact O-N 2.96Å; R84-W92 HydrophobicContact CB-CZ3 4.34Å; R84-W92 HydrophobicContact CG-CE3 3.69Å; R84-W92 HydrophobicContact CG-CZ3 3.97Å; R84-W92 VanDerWaalsContact NH2-CB 3.3Å; R84-I96 HydrophobicContact CB-CG2 4.37Å; R84-I96 HydrophobicContact CG-CG1 4.07Å
85E91.1Very high85.5Confident93 Ų9367.5 Ų67.544%0.43536%0.363SS..EExtended strand (participates in β ladder)trans-98.8134.9-179.1-174-178.3177.400110.6L62 A93L62-E85 HydrophobicContact CD1-CB 3.92Å; E85-A93 HydrophobicContact CB-CB 4.18Å; E85-A93 WeakPolarHBondContact O-CB 3.05Å; E85-A93 PolarHBondContact O-N 3.06Å
86C89.9Confident86Confident0 Ų064.7 Ų64.70%035%0.352CS..BIsolated β-bridgetrans-89.8116.2164-177.10000108.6C43 T57 S58 G60 E61 W92C43-C86 HydrophobicContact CB-CB 3.9Å; C43-C86 WeakPolarHBondContact CB-SG 3.44Å; C43-C86 PolarHBondContact N-SG 3.46Å; C43-C86 VanDerWaalsContact SG-CA 3.5Å; C43-C86 WeakPolarHBondContact SG-CB 3.38Å; C43-C86 CovalentContact SG-SG 2.03Å; C43-C86 PolarHBondContact SG-SG 2.98Å; T57-C86 HydrophobicContact CG2-CB 4.14Å; S58-C86 WeakPolarHBondContact O-CB 3.36Å; S58-C86 PolarHBondContact O-SG 2.91Å; G60-C86 VanDerWaalsContact CA-O 3.29Å; G60-C86 WeakPolarHBondContact CA-O 3.25Å; G60-C86 PolarHBondContact N-O 2.96Å; E61-C86 PolarHBondContact O-N 3.31Å; C86-W92 HydrophobicContact CB-CE3 4.32Å; C86-W92 HydrophobicContact CB-CZ3 4.21Å
87L89.1Confident86.4Confident62 Ų6266.2 Ų66.233%0.32536%0.364SS..PPolyproline II helixtrans-68.4156.1-177.8-62.1171.5000110.7A59 N89 G90 T91 A93A59-L87 WeakPolarHBondContact CB-O 3.22Å; L87-N89 VanDerWaalsContact CB-OD1 3.28Å; L87-N89 WeakPolarHBondContact CB-OD1 2.99Å; L87-N89 PolarHBondContact O-N 2.82Å; L87-G90 PolarHBondContact O-N 2.97Å; L87-T91 VanDerWaalsContact CB-O 3.24Å; L87-T91 WeakPolarHBondContact CB-O 3.06Å; L87-T91 WeakPolarHBondContact CG-O 3.4Å; L87-T91 PolarHBondContact N-O 3.03Å; L87-A93 HydrophobicContact CD2-CB 4.5Å; L87-A93 HydrophobicContact CG-CB 4.46Å
88G86.6Confident86.7Confident60 Ų6065.8 Ų65.862%0.61936%0.358SS*.THydrogen-bonded Turntrans-56.9-15-179.500000115.6
89N87.4Confident86.9Confident105 Ų10566.5 Ų66.556%0.56137%0.366SS*.THydrogen-bonded Turntrans-90.72.8176.769.3-11.4000114L87 T91L87-N89 VanDerWaalsContact CB-OD1 3.28Å; L87-N89 WeakPolarHBondContact CB-OD1 2.99Å; L87-N89 PolarHBondContact O-N 2.82Å; N89-T91 PolarHBondContact ND2-OG1 3.29Å; N89-T91 WeakPolarHBondContact OD1-CB 3.19Å; N89-T91 PolarHBondContact OD1-N 3.42Å; N89-T91 PolarHBondContact OD1-OG1 3.33Å
90G82.6Confident87Confident17 Ų1764.3 Ų64.318%0.17535%0.347CS..SBendtrans79.318.5-176.100000114.3C43 L87C43-G90 VanDerWaalsContact SG-C 3.57Å; L87-G90 PolarHBondContact O-N 2.97Å
91T88.2Confident86.9Confident67 Ų6759 Ų5941%0.41133%0.33SS..  trans-112143.1174.964.60000111.5C43 L87 N89C43-T91 PolarHBondContact SG-O 2.98Å; L87-T91 VanDerWaalsContact CB-O 3.24Å; L87-T91 WeakPolarHBondContact CB-O 3.06Å; L87-T91 WeakPolarHBondContact CG-O 3.4Å; L87-T91 PolarHBondContact N-O 3.03Å; N89-T91 PolarHBondContact ND2-OG1 3.29Å; N89-T91 WeakPolarHBondContact OD1-CB 3.19Å; N89-T91 PolarHBondContact OD1-N 3.42Å; N89-T91 PolarHBondContact OD1-OG1 3.33Å
92W88Confident86.5Confident38 Ų3863.2 Ų63.214%0.14435%0.348CS..BIsolated β-bridgetrans-64.9140.7174.7-73.5113.2000111.1C43 N44 T46 W54 P55 T57 V63 R84 C86 S94C43-W92 HydrophobicContact CB-CD2 3.71Å; C43-W92 HydrophobicContact CB-CE3 4.2Å; C43-W92 HydrophobicContact CB-CG 4.14Å; C43-W92 HydrophobicContact CB-CH2 4.18Å; C43-W92 HydrophobicContact CB-CZ2 3.66Å; C43-W92 HydrophobicContact CB-CZ3 4.43Å; N44-W92 PolarHBondContact O-NE1 2.9Å; T46-W92 PolarHBondContact OG1-NE1 3.32Å; W54-W92 HydrophobicContact CB-CH2 4.15Å; W54-W92 HydrophobicContact CB-CZ2 4.04Å; P55-W92 WeakPolarHBondContact O-CZ2 3.34Å; T57-W92 WeakPolarHBondContact OG1-CH2 3.35Å; V63-W92 HydrophobicContact CG2-CH2 4.44Å; R84-W92 HydrophobicContact CB-CZ3 4.34Å; R84-W92 HydrophobicContact CG-CE3 3.69Å; R84-W92 HydrophobicContact CG-CZ3 3.97Å; R84-W92 VanDerWaalsContact NH2-CB 3.3Å; C86-W92 HydrophobicContact CB-CE3 4.32Å; C86-W92 HydrophobicContact CB-CZ3 4.21Å; W92-S94 PolarHBondContact O-N 3.25Å
93A88.6Confident85.9Confident15 Ų1565.9 Ų65.912%0.12437%0.366CS..  trans-56.4138.7168.200000110.9E85 L87 K95E85-A93 HydrophobicContact CB-CB 4.18Å; E85-A93 WeakPolarHBondContact O-CB 3.05Å; E85-A93 PolarHBondContact O-N 3.06Å; L87-A93 HydrophobicContact CD2-CB 4.5Å; L87-A93 HydrophobicContact CG-CB 4.46Å; A93-K95 PolarHBondContact O-N 3.41Å
94S84.8Confident85.1Confident133 Ų13367.4 Ų67.493%0.9338%0.377SS*.SBendtrans-64.4-27.8-177.7179.90000113W92W92-S94 PolarHBondContact O-N 3.25Å
95K83.6Confident84Confident183 Ų18370.1 Ų70.180%0.79639%0.393SS*.SBendtrans-114.8128.5-178.8-170.1176.6-179.2-178.30110.8A93A93-K95 PolarHBondContact O-N 3.41Å
96I87.7Confident82.6Confident35 Ų3569.9 Ų69.918%0.17940%0.395CS..  trans-93.7138173.7-54.5167.9000108.6D48 W54 Y83 R84 Y98D48-I96 HydrophobicContact CB-CD1 3.71Å; W54-I96 HydrophobicContact CH2-CG2 4.11Å; W54-I96 HydrophobicContact CZ2-CG2 3.51Å; Y83-I96 WeakPolarHBondContact O-CG2 3.26Å; R84-I96 HydrophobicContact CB-CG2 4.37Å; R84-I96 HydrophobicContact CG-CG1 4.07Å; I96-Y98 HydrophobicContact CB-CD2 3.93Å; I96-Y98 HydrophobicContact CB-CE2 3.68Å; I96-Y98 HydrophobicContact CD1-CE2 4.21Å; I96-Y98 HydrophobicContact CG2-CD2 3.64Å; I96-Y98 HydrophobicContact CG2-CE2 3.25Å; I96-Y98 PolarHBondContact O-N 3.48Å
97N86.6Confident81.2Confident78 Ų7873 Ų7342%0.41741%0.412SS..BIsolated β-bridgetrans-91.495.6-179.3-170.5-5.2000111.2A82 Y83 S99A82-N97 WeakPolarHBondContact CA-O 3.47Å; Y83-N97 PolarHBondContact N-O 3.35Å; Y83-N97 PolarHBondContact O-N 2.72Å; N97-S99 WeakPolarHBondContact OD1-CB 3.24Å; N97-S99 PolarHBondContact OD1-N 2.88Å; N97-S99 VanDerWaalsContact OD1-N 3.08Å; N97-S99 PolarHBondContact OD1-OG 3.47Å
98Y85.2Confident79.9Confident50 Ų5077.1 Ų77.120%0.19643%0.427CS..  trans-96.114.7174.4-78.5-75.6000113.7D48 I50 T52 A82 I96 Q100 C101D48-Y98 PolarHBondContact OD2-OH 2.91Å; I50-Y98 HydrophobicContact CD1-CD2 4.34Å; I50-Y98 HydrophobicContact CD1-CE2 3.98Å; T52-Y98 VanDerWaalsContact CB-OH 3.3Å; T52-Y98 WeakPolarHBondContact CB-OH 3.38Å; T52-Y98 PolarHBondContact OG1-OH 3.36Å; A82-Y98 HydrophobicContact CB-CD1 3.57Å; A82-Y98 HydrophobicContact CB-CE1 3.45Å; A82-Y98 VanDerWaalsContact CB-CE1 3.45Å; A82-Y98 HydrophobicContact CB-CG 4.34Å; I96-Y98 HydrophobicContact CB-CD2 3.93Å; I96-Y98 HydrophobicContact CB-CE2 3.68Å; I96-Y98 HydrophobicContact CD1-CE2 4.21Å; I96-Y98 HydrophobicContact CG2-CD2 3.64Å; I96-Y98 HydrophobicContact CG2-CE2 3.25Å; I96-Y98 PolarHBondContact O-N 3.48Å; Y98-Q100 PolarHBondContact O-N 3.4Å; Y98-Q100 VanDerWaalsContact O-N 3.11Å; Y98-C101 HydrophobicContact CD1-CB 4.34Å; Y98-C101 WeakPolarHBondContact O-CB 3.48Å; Y98-C101 PolarHBondContact O-N 3.34Å
99S84.3Confident78.8Confident87 Ų8782.7 Ų82.761%0.60843%0.429SS*.THydrogen-bonded Turntrans-61.9-22.8-172.458.50000114.9N97N97-S99 WeakPolarHBondContact OD1-CB 3.24Å; N97-S99 PolarHBondContact OD1-N 2.88Å; N97-S99 VanDerWaalsContact OD1-N 3.08Å; N97-S99 PolarHBondContact OD1-OG 3.47Å
100Q83.6Confident77.8Confident71 Ų7182.4 Ų82.433%0.33242%0.423SS..THydrogen-bonded Turntrans-90.2-6.6177.9-59.9-167.9-15.600113.4R80 Y83 Y98 E102R80-Q100 HydrophobicContact CB-CB 4.17Å; R80-Q100 VanDerWaalsContact CB-O 3.22Å; R80-Q100 WeakPolarHBondContact CB-O 3.39Å; R80-Q100 WeakPolarHBondContact CG-O 3.33Å; Y83-Q100 HydrophobicContact CE2-CG 4.41Å; Y83-Q100 PolarHBondContact OH-OE1 2.87Å; Y83-Q100 VanDerWaalsContact OH-OE1 3.13Å; Y98-Q100 PolarHBondContact O-N 3.4Å; Y98-Q100 VanDerWaalsContact O-N 3.11Å; Q100-E102 PolarHBondContact O-N 2.92Å; Q100-E102 VanDerWaalsContact O-N 3.17Å
101C82.9Confident77.2Confident19 Ų1984.1 Ų84.113%0.12842%0.424CS..  trans-86.188.7-179.1-590000110.5C67 Y76 Y98C67-C101 HydrophobicContact CB-CB 3.79Å; C67-C101 WeakPolarHBondContact CB-SG 3.44Å; C67-C101 WeakPolarHBondContact SG-CA 3.47Å; C67-C101 WeakPolarHBondContact SG-CB 3.38Å; C67-C101 CovalentContact SG-SG 2.03Å; C67-C101 PolarHBondContact SG-SG 3.25Å; Y76-C101 HydrophobicContact CD1-CB 4.39Å; Y98-C101 HydrophobicContact CD1-CB 4.34Å; Y98-C101 WeakPolarHBondContact O-CB 3.48Å; Y98-C101 PolarHBondContact O-N 3.34Å
102E80.8Confident76.4Confident130 Ų13083.3 Ų83.361%0.60742%0.424SS*.  trans-89.6136.3177.7-67.8-179.1168.600111.6N77 Q100N77-E102 PolarHBondContact N-O 2.95Å; Q100-E102 PolarHBondContact O-N 2.92Å; Q100-E102 VanDerWaalsContact O-N 3.17Å
103P76.2Confident76Confident57 Ų5786.4 Ų86.437%0.3744%0.443SS..BIsolated β-bridgetrans-75.5140.9177.132.5-35.6000110.9I74 Y76 L105I74-P103 HydrophobicContact CG2-CB 3.89Å; Y76-P103 HydrophobicContact CD1-CB 4.08Å; Y76-P103 HydrophobicContact CE1-CB 3.82Å; Y76-P103 HydrophobicContact CE1-CG 4.41Å; P103-L105 HydrophobicContact CB-CD1 3.58Å; P103-L105 HydrophobicContact CG-CD1 3.76Å; P103-L105 PolarHBondContact O-N 2.76Å
104I72.3Confident75.5Confident85 Ų8588.6 Ų88.644%0.43645%0.451SS..  trans-79.973.3174.6-52.9173.5000107.9K75 N77K75-I104 HydrophobicContact CG-CD1 4.37Å; K75-I104 PolarHBondContact O-N 3.37Å; N77-I104 HydrophobicContact CB-CD1 4.4Å; N77-I104 HydrophobicContact CB-CG1 4.26Å
105L64.9Low75.2Confident88 Ų8889.2 Ų89.246%0.46143%0.434SS..  trans-86.5-11.8-175.6-120.283.6000114I74 P103 D107 R109I74-L105 HydrophobicContact CG2-CD1 4.11Å; P103-L105 HydrophobicContact CB-CD1 3.58Å; P103-L105 HydrophobicContact CG-CD1 3.76Å; P103-L105 PolarHBondContact O-N 2.76Å; L105-D107 VanDerWaalsContact C-N 3.28Å; L105-D107 PolarHBondContact O-N 3.43Å; L105-R109 PolarHBondContact O-N 3.43Å
106D61.7Low75.1Confident87 Ų8787 Ų8747%0.46542%0.424SS..Hα-helixtrans-69.6-30-163.7-150.421.4000112.2K110D106-K110 VanDerWaalsContact CG-NZ 3.33Å; D106-K110 WeakPolarHBondContact O-CB 3.44Å; D106-K110 VanDerWaalsContact O-CD 3.27Å; D106-K110 WeakPolarHBondContact O-CD 3.47Å; D106-K110 WeakPolarHBondContact O-CG 3.49Å; D106-K110 PolarHBondContact O-N 2.98Å; D106-K110 WeakPolarHBondContact OD1-CE 3.45Å; D106-K110 IonicContact OD1-NZ 2.76Å; D106-K110 WeakPolarHBondContact OD2-CE 3.41Å; D106-K110 IonicContact OD2-NZ 3.95Å; D106-K110 PolarHBondContact OD2-NZ 2.87Å
107D61.3Low75Confident67 Ų6788.6 Ų88.636%0.35843%0.432SS..Hα-helixtrans-75.5-55.7-176.9-138.916.6000111.8L105 R109 K110 Y111L105-D107 VanDerWaalsContact C-N 3.28Å; L105-D107 PolarHBondContact O-N 3.43Å; D107-R109 PolarHBondContact O-N 3.01Å; D107-R109 VanDerWaalsContact O-N 3.12Å; D107-K110 PolarHBondContact O-N 2.92Å; D107-K110 VanDerWaalsContact O-N 3.11Å; D107-Y111 HydrophobicContact CB-CE2 4.33Å; D107-Y111 WeakPolarHBondContact O-CD2 3.29Å; D107-Y111 PolarHBondContact O-N 3.16Å; D107-Y111 WeakPolarHBondContact OD1-CE2 3.29Å
108K60.8Low74.8Confident147 Ų14785 Ų8564%0.63941%0.413SS*.Hα-helixtrans-55.9-36.2179.4-69.4-172.8-179.7-178.90112.9G73 A112G73-K108 PolarHBondContact O-NZ 3.33Å; K108-A112 PolarHBondContact O-N 2.79Å
109R64.1Low74.7Confident178 Ų17885.5 Ų85.567%0.67242%0.419SS*.Hα-helixtrans-75.5-37.2-179.6-166.6163.270.6172.91.8112.6L105 D107 L113L105-R109 PolarHBondContact O-N 3.43Å; D107-R109 PolarHBondContact O-N 3.01Å; D107-R109 VanDerWaalsContact O-N 3.12Å; R109-L113 PolarHBondContact O-N 3.23Å
110K66.9Low74.8Confident98 Ų9886.3 Ų86.343%0.42642%0.415SS..Hα-helixtrans-63.5-45.2173.3-75.6168.4-178.9167.10110.7D106 D107 A112 L113 H114D106-K110 VanDerWaalsContact CG-NZ 3.33Å; D106-K110 WeakPolarHBondContact O-CB 3.44Å; D106-K110 VanDerWaalsContact O-CD 3.27Å; D106-K110 WeakPolarHBondContact O-CD 3.47Å; D106-K110 WeakPolarHBondContact O-CG 3.49Å; D106-K110 PolarHBondContact O-N 2.98Å; D106-K110 WeakPolarHBondContact OD1-CE 3.45Å; D106-K110 IonicContact OD1-NZ 2.76Å; D106-K110 WeakPolarHBondContact OD2-CE 3.41Å; D106-K110 IonicContact OD2-NZ 3.95Å; D106-K110 PolarHBondContact OD2-NZ 2.87Å; D107-K110 PolarHBondContact O-N 2.92Å; D107-K110 VanDerWaalsContact O-N 3.11Å; K110-A112 PolarHBondContact O-N 3.1Å; K110-L113 PolarHBondContact O-N 2.85Å; K110-H114 PolarHBondContact O-CD2 2.91Å; K110-H114 PolarHBondContact O-N 2.96Å
111Y68.7Low75Confident53 Ų5385.5 Ų85.521%0.20841%0.413CS..Hα-helixtrans-57.9-46.3175.6-77.4-67.1000113.6D107 L113 H114 Y115 D336 I340D107-Y111 HydrophobicContact CB-CE2 4.33Å; D107-Y111 WeakPolarHBondContact O-CD2 3.29Å; D107-Y111 PolarHBondContact O-N 3.16Å; D107-Y111 WeakPolarHBondContact OD1-CE2 3.29Å; Y111-L113 VanDerWaalsContact C-N 3.3Å; Y111-L113 PolarHBondContact O-N 2.97Å; Y111-H114 PolarHBondContact O-N 3.29Å; Y111-Y115 VanDerWaalsContact O-CB 3.29Å; Y111-Y115 WeakPolarHBondContact O-CB 3.36Å; Y111-Y115 PolarHBondContact O-N 3.34Å; Y111-D336 WeakPolarHBondContact OH-CA 2.83Å; Y111-D336 WeakPolarHBondContact OH-CB 3.27Å; Y111-D336 PolarHBondContact OH-OD1 3.39Å; Y111-I340 HydrophobicContact CD1-CD1 4.47Å; Y111-I340 HydrophobicContact CD1-CG1 4.17Å; Y111-I340 HydrophobicContact CE1-CD1 4.07Å; Y111-I340 HydrophobicContact CE1-CG1 3.82Å
112A72.3Confident75.2Confident50 Ų5085.6 Ų85.641%0.41341%0.412SS..Hα-helixtrans-62.4-36.8178.300000112.6K108 K110 K116K108-A112 PolarHBondContact O-N 2.79Å; K110-A112 PolarHBondContact O-N 3.1Å; A112-K116 VanDerWaalsContact O-CG 3.31Å; A112-K116 WeakPolarHBondContact O-CG 3.47Å; A112-K116 PolarHBondContact O-N 3.15Å; A112-K116 VanDerWaalsContact O-N 3.11Å
113L78.6Confident75.6Confident104 Ų10484.9 Ų84.955%0.54540%0.404SS..Hα-helixtrans-68.9-48.2175.8-177.864.5000111.5R109 K110 Y111 Y115 K116 I117R109-L113 PolarHBondContact O-N 3.23Å; K110-L113 PolarHBondContact O-N 2.85Å; Y111-L113 VanDerWaalsContact C-N 3.3Å; Y111-L113 PolarHBondContact O-N 2.97Å; L113-Y115 VanDerWaalsContact C-N 3.3Å; L113-Y115 PolarHBondContact O-N 3.39Å; L113-K116 PolarHBondContact O-N 3.24Å; L113-I117 HydrophobicContact CD1-CD1 4.36Å; L113-I117 HydrophobicContact CG-CD1 4.06Å; L113-I117 WeakPolarHBondContact O-CG1 3.36Å; L113-I117 PolarHBondContact O-N 3.11Å
114H78.8Confident76.3Confident60 Ų6086.7 Ų86.728%0.27841%0.411SS..Hα-helixtrans-60.7-40.6178.3-75.2-62.3000112K110 Y111 I117 A118 I340 Y344K110-H114 PolarHBondContact O-CD2 2.91Å; K110-H114 PolarHBondContact O-N 2.96Å; Y111-H114 PolarHBondContact O-N 3.29Å; H114-I117 PolarHBondContact O-N 2.9Å; H114-A118 WeakPolarHBondContact O-CB 3.43Å; H114-A118 PolarHBondContact O-N 3.45Å; H114-I340 HydrophobicContact CB-CG2 4.25Å; H114-Y344 WeakPolarHBondContact CA-OH 3.34Å; H114-Y344 HydrophobicContact CB-CE2 4.14Å; H114-Y344 AromaticContact ND1-CE2 3.58Å; H114-Y344 AromaticContact ND1-CZ 3.71Å; H114-Y344 PolarHBondContact ND1-OH 3.44Å; H114-Y344 PolarHBondContact O-OH 3.07Å
115Y77.5Confident77.2Confident146 Ų14682.7 Ų82.757%0.57339%0.39SS*.Hα-helixtrans-60.9-46.1174-179.9-98.3000112.5Y111 L113 I117 A118 L119Y111-Y115 VanDerWaalsContact O-CB 3.29Å; Y111-Y115 WeakPolarHBondContact O-CB 3.36Å; Y111-Y115 PolarHBondContact O-N 3.34Å; L113-Y115 VanDerWaalsContact C-N 3.3Å; L113-Y115 PolarHBondContact O-N 3.39Å; Y115-I117 VanDerWaalsContact C-N 3.33Å; Y115-I117 PolarHBondContact O-N 3.16Å; Y115-A118 PolarHBondContact O-N 2.98Å; Y115-L119 PolarHBondContact O-N 3.26Å
116K82.6Confident78.4Confident138 Ų13878.7 Ų78.760%0.637%0.369SS*.Hα-helixtrans-60.1-42.4176.2-76.7179-178.9-171.50112.1A112 L113 L119 I120A112-K116 VanDerWaalsContact O-CG 3.31Å; A112-K116 WeakPolarHBondContact O-CG 3.47Å; A112-K116 PolarHBondContact O-N 3.15Å; A112-K116 VanDerWaalsContact O-N 3.11Å; L113-K116 PolarHBondContact O-N 3.24Å; K116-L119 PolarHBondContact O-N 3.43Å; K116-I120 WeakPolarHBondContact O-CG1 3.49Å; K116-I120 PolarHBondContact O-N 3.26Å; K116-I120 VanDerWaalsContact O-N 3.11Å
117I85Confident79.8Confident68 Ų6877 Ų7735%0.34936%0.363SS..Hα-helixtrans-65.4-43.7176.9-62165.2000110.4L113 H114 Y115 L119 I120 I121 Y344L113-I117 HydrophobicContact CD1-CD1 4.36Å; L113-I117 HydrophobicContact CG-CD1 4.06Å; L113-I117 WeakPolarHBondContact O-CG1 3.36Å; L113-I117 PolarHBondContact O-N 3.11Å; H114-I117 PolarHBondContact O-N 2.9Å; Y115-I117 VanDerWaalsContact C-N 3.33Å; Y115-I117 PolarHBondContact O-N 3.16Å; I117-L119 VanDerWaalsContact C-N 3.29Å; I117-L119 PolarHBondContact O-N 2.99Å; I117-I120 PolarHBondContact O-N 3.29Å; I117-I121 HydrophobicContact CG2-CD1 4.11Å; I117-I121 WeakPolarHBondContact O-CG1 3.48Å; I117-I121 PolarHBondContact O-N 3.02Å; I117-Y344 HydrophobicContact CB-CE1 4.19Å; I117-Y344 HydrophobicContact CG2-CE1 3.84Å
118A82.4Confident81.3Confident1 Ų177.7 Ų77.71%0.00837%0.366CS..Hα-helixtrans-60.3-38.7176.500000111.9H114 Y115 I121 N122 I343 Y344H114-A118 WeakPolarHBondContact O-CB 3.43Å; H114-A118 PolarHBondContact O-N 3.45Å; Y115-A118 PolarHBondContact O-N 2.98Å; A118-I121 PolarHBondContact O-N 2.87Å; A118-N122 VanDerWaalsContact O-CB 3.29Å; A118-N122 WeakPolarHBondContact O-CB 3.29Å; A118-N122 PolarHBondContact O-N 3.37Å; A118-I343 HydrophobicContact CB-CG2 3.9Å; A118-Y344 HydrophobicContact CB-CD1 4.06Å; A118-Y344 HydrophobicContact CB-CE1 4Å
119L83.7Confident82.8Confident62 Ų6270.7 Ų70.733%0.32534%0.336SS..Hα-helixtrans-62.7-42.1174.7-175.365.4000112.2Y115 K116 I117 N122 Y123Y115-L119 PolarHBondContact O-N 3.26Å; K116-L119 PolarHBondContact O-N 3.43Å; I117-L119 VanDerWaalsContact C-N 3.29Å; I117-L119 PolarHBondContact O-N 2.99Å; L119-N122 WeakPolarHBondContact O-CB 3.42Å; L119-N122 PolarHBondContact O-N 3.38Å; L119-Y123 WeakPolarHBondContact O-CB 3.4Å; L119-Y123 PolarHBondContact O-N 2.89Å
120I86.3Confident84.1Confident103 Ų10363.2 Ų63.253%0.52831%0.31SS..Hα-helixtrans-62.5-46.4176.1-66.3164.8000110.6K116 I117 N122 Y123 L124K116-I120 WeakPolarHBondContact O-CG1 3.49Å; K116-I120 PolarHBondContact O-N 3.26Å; K116-I120 VanDerWaalsContact O-N 3.11Å; I117-I120 PolarHBondContact O-N 3.29Å; I120-N122 VanDerWaalsContact C-N 3.3Å; I120-N122 PolarHBondContact O-N 3.15Å; I120-Y123 PolarHBondContact O-N 2.79Å; I120-L124 HydrophobicContact CG2-CD1 4.03Å; I120-L124 HydrophobicContact CG2-CG 4.46Å; I120-L124 WeakPolarHBondContact O-CG 3.36Å; I120-L124 PolarHBondContact O-N 3.46Å
121I87.5Confident85.3Confident55 Ų5560.3 Ų60.328%0.28231%0.308SS..Hα-helixtrans-59.3-45.3176.6-67167.4000110.2I117 A118 Y123 L124 G125 Y344 F348I117-I121 HydrophobicContact CG2-CD1 4.11Å; I117-I121 WeakPolarHBondContact O-CG1 3.48Å; I117-I121 PolarHBondContact O-N 3.02Å; A118-I121 PolarHBondContact O-N 2.87Å; I121-Y123 PolarHBondContact O-N 2.97Å; I121-L124 PolarHBondContact O-N 3.47Å; I121-G125 PolarHBondContact O-N 2.91Å; I121-Y344 HydrophobicContact CD1-CD1 3.88Å; I121-Y344 HydrophobicContact CD1-CE1 3.93Å; I121-F348 HydrophobicContact CG2-CD2 4.49Å
122N86.7Confident86.4Confident20 Ų2058.4 Ų58.411%0.10730%0.303CS..Hα-helixtrans-60.7-45179.1-167.840.6000111.5A118 L119 I120 G125 H126 W168 S347 S351A118-N122 VanDerWaalsContact O-CB 3.29Å; A118-N122 WeakPolarHBondContact O-CB 3.29Å; A118-N122 PolarHBondContact O-N 3.37Å; L119-N122 WeakPolarHBondContact O-CB 3.42Å; L119-N122 PolarHBondContact O-N 3.38Å; I120-N122 VanDerWaalsContact C-N 3.3Å; I120-N122 PolarHBondContact O-N 3.15Å; N122-G125 PolarHBondContact O-N 3.49Å; N122-H126 PolarHBondContact O-CD2 3.29Å; N122-H126 PolarHBondContact O-N 2.95Å; N122-H126 PolarHBondContact OD1-CD2 3.47Å; N122-H126 PolarHBondContact OD1-NE2 3.02Å; N122-W168 WeakPolarHBondContact ND2-CZ2 3.42Å; N122-S347 PolarHBondContact OD1-O 3.25Å; N122-S351 WeakPolarHBondContact O-CB 3.21Å; N122-S351 WeakPolarHBondContact OD1-CB 3.44Å
123Y89.3Confident87.3Confident115 Ų11556 Ų5645%0.45128%0.283SS..Hα-helixtrans-60.4-51.8176.8-176.7-90.6000112.1L119 I120 I121 G125 H126 C127 W168 F169L119-Y123 WeakPolarHBondContact O-CB 3.4Å; L119-Y123 PolarHBondContact O-N 2.89Å; I120-Y123 PolarHBondContact O-N 2.79Å; I121-Y123 PolarHBondContact O-N 2.97Å; Y123-G125 VanDerWaalsContact C-N 3.31Å; Y123-G125 PolarHBondContact O-N 3.48Å; Y123-H126 PolarHBondContact O-N 3.39Å; Y123-C127 PolarHBondContact O-N 3.11Å; Y123-C127 PolarHBondContact O-SG 3.16Å; Y123-C127 VanDerWaalsContact O-SG 3.33Å; Y123-W168 AromaticContact CD2-CH2 3.9Å; Y123-W168 HydrophobicContact CD2-CH2 3.9Å; Y123-W168 AromaticContact CD2-CZ3 3.91Å; Y123-W168 HydrophobicContact CD2-CZ3 3.91Å; Y123-W168 HydrophobicContact CG-CH2 4.41Å; Y123-F169 AromaticContact CD2-CE1 3.99Å; Y123-F169 HydrophobicContact CD2-CE1 3.99Å; Y123-F169 HydrophobicContact CE2-CD1 4.02Å; Y123-F169 AromaticContact CE2-CE1 3.59Å; Y123-F169 HydrophobicContact CE2-CE1 3.59Å
124L91Very high87.9Confident96 Ų9655.1 Ų55.150%0.50328%0.278SS..Hα-helixtrans-59.4-43178.2-69.6173.5000111.7I120 I121 C127 I128I120-L124 HydrophobicContact CG2-CD1 4.03Å; I120-L124 HydrophobicContact CG2-CG 4.46Å; I120-L124 WeakPolarHBondContact O-CG 3.36Å; I120-L124 PolarHBondContact O-N 3.46Å; I121-L124 PolarHBondContact O-N 3.47Å; L124-C127 PolarHBondContact O-N 3.26Å; L124-I128 WeakPolarHBondContact O-CG1 3.46Å; L124-I128 PolarHBondContact O-N 2.99Å
125G90.8Very high88.5Confident0 Ų056 Ų560%029%0.288CS..Hα-helixtrans-63-42.6177.500000112.7I121 N122 Y123 C127 I128 S129I121-G125 PolarHBondContact O-N 2.91Å; N122-G125 PolarHBondContact O-N 3.49Å; Y123-G125 VanDerWaalsContact C-N 3.31Å; Y123-G125 PolarHBondContact O-N 3.48Å; G125-C127 PolarHBondContact O-N 3.39Å; G125-I128 PolarHBondContact O-N 2.78Å; G125-S129 VanDerWaalsContact O-CB 3.29Å; G125-S129 WeakPolarHBondContact O-CB 3.26Å; G125-S129 PolarHBondContact O-N 3.22Å
126H89.9Confident89Confident4 Ų449.1 Ų49.12%0.01926%0.261CS..Hα-helixtrans-64.3-38.3175.1-81.3-61000112.4N122 Y123 S129 V130 N165 W168 F169N122-H126 PolarHBondContact O-CD2 3.29Å; N122-H126 PolarHBondContact O-N 2.95Å; N122-H126 PolarHBondContact OD1-CD2 3.47Å; N122-H126 PolarHBondContact OD1-NE2 3.02Å; Y123-H126 PolarHBondContact O-N 3.39Å; H126-S129 PolarHBondContact O-N 3.38Å; H126-V130 WeakPolarHBondContact O-CG2 3.47Å; H126-V130 PolarHBondContact O-N 2.94Å; H126-N165 PolarHBondContact CE1-OD1 3.46Å; H126-N165 VanDerWaalsContact CE1-OD1 3.32Å; H126-N165 PolarHBondContact ND1-OD1 2.98Å; H126-W168 HydrophobicContact CB-CE3 3.91Å; H126-W168 HydrophobicContact CB-CZ3 3.87Å; H126-W168 AromaticContact CD2-CD2 3.54Å; H126-W168 AromaticContact CD2-CE2 3.66Å; H126-W168 AromaticContact CD2-CE3 3.59Å; H126-W168 AromaticContact CD2-CH2 3.89Å; H126-W168 AromaticContact CD2-CZ2 3.86Å; H126-W168 AromaticContact CD2-CZ3 3.75Å; H126-W168 AromaticContact CG-CE3 3.8Å; H126-W168 AromaticContact NE2-CD2 3.85Å; H126-W168 AromaticContact NE2-CE2 3.91Å; H126-F169 HydrophobicContact CB-CE2 4.07Å; H126-F169 HydrophobicContact CB-CZ 3.86Å
127C92.3Very high89.2Confident51 Ų5145 Ų4535%0.34524%0.243SC..Hα-helixtrans-60.7-50.4174.7-67.50000111.5Y123 L124 G125 S129 V130 G131 F169Y123-C127 PolarHBondContact O-N 3.11Å; Y123-C127 PolarHBondContact O-SG 3.16Å; Y123-C127 VanDerWaalsContact O-SG 3.33Å; L124-C127 PolarHBondContact O-N 3.26Å; G125-C127 PolarHBondContact O-N 3.39Å; C127-S129 VanDerWaalsContact C-N 3.31Å; C127-S129 PolarHBondContact O-N 3.28Å; C127-V130 PolarHBondContact O-N 3.33Å; C127-G131 PolarHBondContact O-N 3.24Å; C127-G131 VanDerWaalsContact O-N 3.08Å; C127-F169 HydrophobicContact CB-CZ 4.42Å; C127-F169 VanDerWaalsContact SG-CZ 3.55Å
128I92.1Very high89.2Confident82 Ų8246.7 Ų46.742%0.42125%0.25SS..Hα-helixtrans-60.9-43.6178.3-66.4166.6000110.2L124 G125 G131 A132 F352 F355L124-I128 WeakPolarHBondContact O-CG1 3.46Å; L124-I128 PolarHBondContact O-N 2.99Å; G125-I128 PolarHBondContact O-N 2.78Å; I128-G131 PolarHBondContact O-N 3.08Å; I128-A132 WeakPolarHBondContact O-CB 3.49Å; I128-A132 PolarHBondContact O-N 3.04Å; I128-F352 HydrophobicContact CB-CE1 4.39Å; I128-F352 HydrophobicContact CD1-CE1 3.88Å; I128-F352 HydrophobicContact CD1-CZ 4.1Å; I128-F352 HydrophobicContact CG2-CE1 4.3Å; I128-F355 HydrophobicContact CG2-CD2 3.86Å; I128-F355 HydrophobicContact CG2-CE2 4.26Å; I128-F355 HydrophobicContact CG2-CG 4.34Å
129S92.4Very high89.3Confident0 Ų049.3 Ų49.30%026%0.264CS..Hα-helixtrans-61.4-45.5178.41790000112.4G125 H126 C127 A132 L133 N165 S351 G354 F355G125-S129 VanDerWaalsContact O-CB 3.29Å; G125-S129 WeakPolarHBondContact O-CB 3.26Å; G125-S129 PolarHBondContact O-N 3.22Å; H126-S129 PolarHBondContact O-N 3.38Å; C127-S129 VanDerWaalsContact C-N 3.31Å; C127-S129 PolarHBondContact O-N 3.28Å; S129-A132 PolarHBondContact O-N 2.8Å; S129-L133 WeakPolarHBondContact O-CB 3.28Å; S129-L133 WeakPolarHBondContact O-CD1 3.03Å; S129-L133 WeakPolarHBondContact O-CG 3.47Å; S129-L133 PolarHBondContact O-N 3.49Å; S129-N165 PolarHBondContact OG-ND2 2.94Å; S129-S351 WeakPolarHBondContact CB-O 3.34Å; S129-G354 VanDerWaalsContact OG-C 3.27Å; S129-G354 WeakPolarHBondContact OG-CA 3.08Å; S129-F355 PolarHBondContact OG-N 3.32Å; S129-F355 VanDerWaalsContact OG-N 3.1Å
130V91.6Very high89Confident22 Ų2248 Ų4813%0.13326%0.256CS..Hα-helixtrans-64.6-45.5179.5168.60000110.9H126 C127 A132 L133 I134 N165 F169H126-V130 WeakPolarHBondContact O-CG2 3.47Å; H126-V130 PolarHBondContact O-N 2.94Å; C127-V130 PolarHBondContact O-N 3.33Å; V130-A132 VanDerWaalsContact C-N 3.34Å; V130-A132 PolarHBondContact O-N 2.99Å; V130-L133 PolarHBondContact O-N 3.4Å; V130-I134 HydrophobicContact CG1-CD1 3.59Å; V130-I134 HydrophobicContact CG1-CG1 4.22Å; V130-I134 VanDerWaalsContact O-CG1 3.31Å; V130-I134 WeakPolarHBondContact O-CG1 3.46Å; V130-I134 PolarHBondContact O-N 3.29Å; V130-N165 HydrophobicContact CG2-CB 3.33Å; V130-F169 HydrophobicContact CG2-CE2 3.94Å
131G92.8Very high88.8Confident37 Ų3746.5 Ų46.538%0.38125%0.249SC..Hα-helixtrans-56.3-48.5177.200000112.1C127 I128 L133 I134 V135C127-G131 PolarHBondContact O-N 3.24Å; C127-G131 VanDerWaalsContact O-N 3.08Å; I128-G131 PolarHBondContact O-N 3.08Å; G131-L133 PolarHBondContact O-N 3.13Å; G131-I134 PolarHBondContact O-N 2.68Å; G131-V135 WeakPolarHBondContact O-CG2 3.32Å; G131-V135 PolarHBondContact O-N 3.01Å; G131-V135 VanDerWaalsContact O-N 3.17Å
132A91.6Very high88.4Confident13 Ų1348.3 Ų48.311%0.10727%0.265CS..Hα-helixtrans-64.2-41178.300000112.9I128 S129 V130 V135 A136 F355 S358 F363I128-A132 WeakPolarHBondContact O-CB 3.49Å; I128-A132 PolarHBondContact O-N 3.04Å; S129-A132 PolarHBondContact O-N 2.8Å; V130-A132 VanDerWaalsContact C-N 3.34Å; V130-A132 PolarHBondContact O-N 2.99Å; A132-V135 PolarHBondContact O-N 3.11Å; A132-A136 WeakPolarHBondContact O-CB 3.26Å; A132-A136 PolarHBondContact O-N 3.18Å; A132-F355 HydrophobicContact CB-CD2 3.79Å; A132-F355 HydrophobicContact CB-CE2 4.45Å; A132-S358 WeakPolarHBondContact CB-OG 3.37Å; A132-F363 HydrophobicContact CB-CE2 4.24Å; A132-F363 WeakPolarHBondContact O-CZ 3.25Å
133L91.2Very high87.8Confident0 Ų048.2 Ų48.20%027%0.265CS..Hα-helixtrans-65.8-39.7177.6-74164.5000112.6S129 V130 G131 A136 F137 I158 F161 I162S129-L133 WeakPolarHBondContact O-CB 3.28Å; S129-L133 WeakPolarHBondContact O-CD1 3.03Å; S129-L133 WeakPolarHBondContact O-CG 3.47Å; S129-L133 PolarHBondContact O-N 3.49Å; V130-L133 PolarHBondContact O-N 3.4Å; G131-L133 PolarHBondContact O-N 3.13Å; L133-A136 PolarHBondContact O-N 3.35Å; L133-F137 VanDerWaalsContact O-CB 3.28Å; L133-F137 WeakPolarHBondContact O-CB 3.43Å; L133-F137 PolarHBondContact O-N 3.06Å; L133-I158 HydrophobicContact CD2-CG2 3.98Å; L133-F161 HydrophobicContact CD1-CB 3.71Å; L133-F161 HydrophobicContact CD2-CB 4.13Å; L133-I162 HydrophobicContact CB-CD1 4.25Å; L133-I162 HydrophobicContact CB-CG1 3.74Å; L133-I162 HydrophobicContact CD1-CG1 4.26Å
134I91.1Very high86.8Confident85 Ų8551.3 Ų51.344%0.43628%0.275SS..Hα-helixtrans-63-45.9176.6-70.1169.1000110.1V130 G131 A136 F137 M138V130-I134 HydrophobicContact CG1-CD1 3.59Å; V130-I134 HydrophobicContact CG1-CG1 4.22Å; V130-I134 VanDerWaalsContact O-CG1 3.31Å; V130-I134 WeakPolarHBondContact O-CG1 3.46Å; V130-I134 PolarHBondContact O-N 3.29Å; G131-I134 PolarHBondContact O-N 2.68Å; I134-A136 VanDerWaalsContact C-N 3.34Å; I134-A136 PolarHBondContact O-N 2.97Å; I134-F137 PolarHBondContact O-N 2.97Å; I134-M138 HydrophobicContact CG2-CG 4.44Å; I134-M138 VanDerWaalsContact O-CG 3.3Å; I134-M138 WeakPolarHBondContact O-CG 3.33Å; I134-M138 PolarHBondContact O-N 3Å
135V90.6Very high85.3Confident79 Ų7952.6 Ų52.648%0.47929%0.292SS..Hα-helixtrans-60.6-45.6176.5175.70000110.6G131 A132 F137 M138 L139 F363G131-V135 WeakPolarHBondContact O-CG2 3.32Å; G131-V135 PolarHBondContact O-N 3.01Å; G131-V135 VanDerWaalsContact O-N 3.17Å; A132-V135 PolarHBondContact O-N 3.11Å; V135-F137 PolarHBondContact O-N 3.13Å; V135-M138 PolarHBondContact O-N 2.68Å; V135-L139 HydrophobicContact CG1-CD1 4.33Å; V135-L139 WeakPolarHBondContact O-CG 3.4Å; V135-L139 PolarHBondContact O-N 3.14Å; V135-F363 HydrophobicContact CB-CE1 4.47Å; V135-F363 HydrophobicContact CB-CZ 4.13Å; V135-F363 HydrophobicContact CG1-CE1 3.89Å; V135-F363 HydrophobicContact CG1-CZ 3.96Å
136A87.6Confident84.2Confident0 Ų054.7 Ų54.70%030%0.303CS..Hα-helixtrans-59.7-45.4176.300000112A132 L133 I134 M138 L139 F140 C362 F363A132-A136 WeakPolarHBondContact O-CB 3.26Å; A132-A136 PolarHBondContact O-N 3.18Å; L133-A136 PolarHBondContact O-N 3.35Å; I134-A136 VanDerWaalsContact C-N 3.34Å; I134-A136 PolarHBondContact O-N 2.97Å; A136-M138 PolarHBondContact O-N 3.23Å; A136-L139 PolarHBondContact O-N 3.48Å; A136-F140 WeakPolarHBondContact O-CD2 3.16Å; A136-F140 PolarHBondContact O-N 2.98Å; A136-C362 HydrophobicContact CB-CB 3.73Å; A136-F363 HydrophobicContact CB-CE1 4.29Å; A136-F363 HydrophobicContact CB-CZ 4.3Å
137F86.8Confident83.2Confident52 Ų5261.9 Ų61.923%0.22833%0.33CS..Hα-helixtrans-59.4-45.8177.4-172.8-91.1000111.7L133 I134 V135 L139 F140 L141 W155 I158 I162L133-F137 VanDerWaalsContact O-CB 3.28Å; L133-F137 WeakPolarHBondContact O-CB 3.43Å; L133-F137 PolarHBondContact O-N 3.06Å; I134-F137 PolarHBondContact O-N 2.97Å; V135-F137 PolarHBondContact O-N 3.13Å; F137-L139 PolarHBondContact O-N 2.88Å; F137-F140 PolarHBondContact O-N 3.37Å; F137-L141 HydrophobicContact CD1-CD1 3.75Å; F137-L141 HydrophobicContact CD1-CG 4.12Å; F137-L141 HydrophobicContact CE1-CD1 3.48Å; F137-L141 VanDerWaalsContact CE1-CD1 3.48Å; F137-L141 HydrophobicContact CE1-CD2 4.41Å; F137-L141 HydrophobicContact CE1-CG 4Å; F137-L141 HydrophobicContact CZ-CD1 4.45Å; F137-L141 WeakPolarHBondContact O-CG 3.46Å; F137-L141 PolarHBondContact O-N 3.41Å; F137-W155 AromaticContact CD2-CD1 3.87Å; F137-W155 AromaticContact CD2-NE1 3.53Å; F137-W155 AromaticContact CE2-CD1 3.68Å; F137-W155 AromaticContact CE2-NE1 2.94Å; F137-W155 HydrophobicContact CZ-CZ2 4.39Å; F137-W155 AromaticContact CZ-NE1 3.56Å; F137-I158 HydrophobicContact CB-CG2 4.5Å; F137-I158 HydrophobicContact CD2-CG2 4.4Å; F137-I162 HydrophobicContact CB-CD1 4.04Å; F137-I162 HydrophobicContact CD2-CD1 3.89Å; F137-I162 HydrophobicContact CG-CD1 4.15Å
138M86.1Confident82.5Confident103 Ų10361.9 Ų61.951%0.50733%0.33SS..Hα-helixtrans-63.4-41.3177.2-68.6-61-79.200112.3I134 V135 A136 F140 L141 C142I134-M138 HydrophobicContact CG2-CG 4.44Å; I134-M138 VanDerWaalsContact O-CG 3.3Å; I134-M138 WeakPolarHBondContact O-CG 3.33Å; I134-M138 PolarHBondContact O-N 3Å; V135-M138 PolarHBondContact O-N 2.68Å; A136-M138 PolarHBondContact O-N 3.23Å; M138-F140 VanDerWaalsContact C-N 3.34Å; M138-F140 PolarHBondContact O-N 3.25Å; M138-L141 PolarHBondContact O-N 3.32Å; M138-L141 HydrophobicContact SD-CD1 4.14Å; M138-C142 PolarHBondContact O-N 3.43Å; M138-C142 PolarHBondContact O-SG 2.74Å; M138-C142 VanDerWaalsContact O-SG 3.32Å
139L84Confident82Confident57 Ų5759.8 Ų59.830%0.29832%0.32SS..Hα-helixtrans-59.2-44.9174.9-72.9173.4000111.6V135 A136 F137 C142 L143 F363V135-L139 HydrophobicContact CG1-CD1 4.33Å; V135-L139 WeakPolarHBondContact O-CG 3.4Å; V135-L139 PolarHBondContact O-N 3.14Å; A136-L139 PolarHBondContact O-N 3.48Å; F137-L139 PolarHBondContact O-N 2.88Å; L139-C142 PolarHBondContact O-N 3.09Å; L139-L143 WeakPolarHBondContact O-CB 3.44Å; L139-L143 WeakPolarHBondContact O-CG 3.37Å; L139-L143 PolarHBondContact O-N 3.5Å; L139-L143 VanDerWaalsContact O-N 3.09Å; L139-F363 HydrophobicContact CD1-CD1 4.06Å; L139-F363 HydrophobicContact CD1-CE1 3.79Å
140F78.3Confident81.5Confident34 Ų3463.9 Ų63.915%0.14934%0.335CS..Hα-helixtrans-65.7-37177.1-76.7-65.5000113A136 F137 M138 L143 I158 C362 V368A136-F140 WeakPolarHBondContact O-CD2 3.16Å; A136-F140 PolarHBondContact O-N 2.98Å; F137-F140 PolarHBondContact O-N 3.37Å; M138-F140 VanDerWaalsContact C-N 3.34Å; M138-F140 PolarHBondContact O-N 3.25Å; F140-L143 PolarHBondContact O-N 3.42Å; F140-I158 HydrophobicContact CD2-CD1 4.02Å; F140-I158 HydrophobicContact CE2-CD1 3.61Å; F140-C362 HydrophobicContact CE2-CB 3.62Å; F140-C362 WeakPolarHBondContact CE2-SG 3.34Å; F140-C362 HydrophobicContact CZ-CB 4Å; F140-V368 HydrophobicContact CE1-CG2 3.82Å; F140-V368 HydrophobicContact CZ-CG2 4.08Å
141L80.8Confident81.1Confident72 Ų7263.6 Ų63.638%0.37733%0.333SS..Hα-helixtrans-63.5-44.3174.8-72.7-178000112.3F137 M138 L143 W155F137-L141 HydrophobicContact CD1-CD1 3.75Å; F137-L141 HydrophobicContact CD1-CG 4.12Å; F137-L141 HydrophobicContact CE1-CD1 3.48Å; F137-L141 VanDerWaalsContact CE1-CD1 3.48Å; F137-L141 HydrophobicContact CE1-CD2 4.41Å; F137-L141 HydrophobicContact CE1-CG 4Å; F137-L141 HydrophobicContact CZ-CD1 4.45Å; F137-L141 WeakPolarHBondContact O-CG 3.46Å; F137-L141 PolarHBondContact O-N 3.41Å; M138-L141 PolarHBondContact O-N 3.32Å; M138-L141 HydrophobicContact SD-CD1 4.14Å; L141-L143 VanDerWaalsContact C-N 3.28Å; L141-L143 PolarHBondContact O-N 3.25Å; L141-W155 HydrophobicContact CD2-CZ2 3.99Å
142C79.6Confident80.7Confident92 Ų9264.1 Ų64.162%0.62233%0.326SS*.Hα-helixtrans-67.5-29.2178.9-67.10000112.7M138 L139 R144M138-C142 PolarHBondContact O-N 3.43Å; M138-C142 PolarHBondContact O-SG 2.74Å; M138-C142 VanDerWaalsContact O-SG 3.32Å; L139-C142 PolarHBondContact O-N 3.09Å; C142-R144 VanDerWaalsContact C-N 3.34Å; C142-R144 PolarHBondContact O-N 3.29Å
143L73.8Confident80.6Confident19 Ų1963.6 Ų63.610%0.09932%0.321CS..  trans-94.253.2-177.6-62.1174.4000112.2L139 F140 L141 S145 I146 V368 A371 R375L139-L143 WeakPolarHBondContact O-CB 3.44Å; L139-L143 WeakPolarHBondContact O-CG 3.37Å; L139-L143 PolarHBondContact O-N 3.5Å; L139-L143 VanDerWaalsContact O-N 3.09Å; F140-L143 PolarHBondContact O-N 3.42Å; L141-L143 VanDerWaalsContact C-N 3.28Å; L141-L143 PolarHBondContact O-N 3.25Å; L143-S145 PolarHBondContact O-N 3.05Å; L143-I146 HydrophobicContact CB-CD1 4.33Å; L143-I146 PolarHBondContact O-N 2.97Å; L143-V368 HydrophobicContact CD1-CG1 4.08Å; L143-A371 HydrophobicContact CD1-CB 4.1Å; L143-A371 HydrophobicContact CD2-CB 3.99Å; L143-R375 HydrophobicContact CD2-CB 4.5Å
144R67.9Low80.3Confident180 Ų18064.5 Ų64.568%0.67933%0.326SS*.G310 helixtrans-50.4-22.6179-175.4171.3179.4163.5-0.6114.7C142 I146C142-R144 VanDerWaalsContact C-N 3.34Å; C142-R144 PolarHBondContact O-N 3.29Å; R144-I146 VanDerWaalsContact C-N 3.25Å; R144-I146 PolarHBondContact O-N 2.98Å
145S60.1Low80.1Confident123 Ų12365 Ų6586%0.8632%0.322SS*.G310 helixtrans-69.8-7.6-176.4-168.80000115.5L143L143-S145 PolarHBondContact O-N 3.05Å
146I66.7Low80.1Confident44 Ų4462.4 Ų62.423%0.22631%0.306CS..G310 helixtrans-11826.8-171.7-32.9176.9000112.3L143 R144 C148 N151 A371L143-I146 HydrophobicContact CB-CD1 4.33Å; L143-I146 PolarHBondContact O-N 2.97Å; R144-I146 VanDerWaalsContact C-N 3.25Å; R144-I146 PolarHBondContact O-N 2.98Å; I146-C148 PolarHBondContact O-N 2.69Å; I146-N151 WeakPolarHBondContact CG2-ND2 3.38Å; I146-N151 PolarHBondContact O-ND2 3.28Å; I146-A371 HydrophobicContact CD1-CB 3.64Å
147R70.3Confident80.2Confident155 Ų15562.5 Ų62.559%0.58531%0.306SS*.  trans-75.281.9-178.2-69.8-177.5-178.8173.90.1112
148C77Confident80.3Confident50 Ų5060.1 Ų60.134%0.33830%0.296SS..  trans-102.5171168.374.80000111.6I146 R150 N151 I152I146-C148 PolarHBondContact O-N 2.69Å; C148-R150 PolarHBondContact O-N 3.39Å; C148-N151 PolarHBondContact O-N 3.09Å; C148-N151 VanDerWaalsContact O-N 3.13Å; C148-N151 PolarHBondContact SG-N 3.49Å; C148-N151 VanDerWaalsContact SG-N 3.43Å; C148-I152 WeakPolarHBondContact O-CG1 3.3Å; C148-I152 PolarHBondContact O-N 3.42Å
149L81.4Confident80.5Confident39 Ų3956.8 Ų56.820%0.20428%0.281CS..Hα-helixtrans-55.6-46.2178.3178.261.5000112.5N151 I152 I153 Y210 K226 F229L149-N151 VanDerWaalsContact C-N 3.29Å; L149-N151 PolarHBondContact O-N 3.46Å; L149-I152 WeakPolarHBondContact O-CB 3.48Å; L149-I152 PolarHBondContact O-N 3.28Å; L149-I152 VanDerWaalsContact O-N 3.13Å; L149-I153 HydrophobicContact CD1-CD1 4.47Å; L149-I153 HydrophobicContact CG-CD1 4.36Å; L149-I153 PolarHBondContact O-N 3.06Å; L149-Y210 HydrophobicContact CD2-CD2 4.38Å; L149-Y210 HydrophobicContact CD2-CE2 3.76Å; L149-Y210 HydrophobicContact CG-CE2 4.05Å; L149-K226 HydrophobicContact CD1-CB 3.71Å; L149-F229 HydrophobicContact CD1-CD2 4.49Å; L149-F229 HydrophobicContact CD2-CE2 4.46Å
150R82.1Confident81Confident86 Ų8654.1 Ų54.133%0.32527%0.267SS..Hα-helixtrans-53.9-45.9174.8177.7178.767.1-163.41.5111.8C148 I152 I153 H154 Y210 E367C148-R150 PolarHBondContact O-N 3.39Å; R150-I152 VanDerWaalsContact C-N 3.35Å; R150-I152 PolarHBondContact O-N 3.44Å; R150-I153 PolarHBondContact O-N 3.28Å; R150-H154 WeakPolarHBondContact CG-NE2 3.38Å; R150-H154 PolarHBondContact O-CD2 3.25Å; R150-H154 PolarHBondContact O-N 3.33Å; R150-Y210 HydrophobicContact CB-CE1 3.73Å; R150-Y210 HydrophobicContact CG-CE1 3.98Å; R150-E367 IonicContact CZ-OE1 2.69Å; R150-E367 IonicContact CZ-OE2 3.74Å; R150-E367 IonicContact NH1-OE1 3.92Å; R150-E367 IonicContact NH2-OE1 2.66Å; R150-E367 PolarHBondContact NH2-OE1 3.21Å; R150-E367 IonicContact NH2-OE2 2.75Å; R150-E367 PolarHBondContact NH2-OE2 3.4Å
151N82.8Confident81.6Confident16 Ų1652.5 Ų52.59%0.08626%0.26CS..Hα-helixtrans-72.5-27.9-178.9-71.710000112.6I146 C148 L149 W155I146-N151 WeakPolarHBondContact CG2-ND2 3.38Å; I146-N151 PolarHBondContact O-ND2 3.28Å; C148-N151 PolarHBondContact O-N 3.09Å; C148-N151 VanDerWaalsContact O-N 3.13Å; C148-N151 PolarHBondContact SG-N 3.49Å; C148-N151 VanDerWaalsContact SG-N 3.43Å; L149-N151 VanDerWaalsContact C-N 3.29Å; L149-N151 PolarHBondContact O-N 3.46Å; N151-W155 VanDerWaalsContact O-CB 3.26Å; N151-W155 WeakPolarHBondContact O-CB 3.12Å; N151-W155 PolarHBondContact O-N 2.88Å
152I85.9Confident82.1Confident47 Ų4750.4 Ų50.424%0.24125%0.249CC..Hα-helixtrans-64.3-45169.8-68168.5000110.1C148 L149 R150 W155 N156 L230C148-I152 WeakPolarHBondContact O-CG1 3.3Å; C148-I152 PolarHBondContact O-N 3.42Å; L149-I152 WeakPolarHBondContact O-CB 3.48Å; L149-I152 PolarHBondContact O-N 3.28Å; L149-I152 VanDerWaalsContact O-N 3.13Å; R150-I152 VanDerWaalsContact C-N 3.35Å; R150-I152 PolarHBondContact O-N 3.44Å; I152-W155 PolarHBondContact O-N 3.03Å; I152-N156 PolarHBondContact O-N 3.44Å; I152-N156 PolarHBondContact O-ND2 2.98Å; I152-L230 HydrophobicContact CG2-CD1 4.26Å
153I88.1Confident82.8Confident2 Ų248.5 Ų48.51%0.0123%0.232CC..Hα-helixtrans-63.2-49.7179-66169.6000110.5L149 R150 W155 N156 L157 W203 V206 E207 Y210 F229L149-I153 HydrophobicContact CD1-CD1 4.47Å; L149-I153 HydrophobicContact CG-CD1 4.36Å; L149-I153 PolarHBondContact O-N 3.06Å; R150-I153 PolarHBondContact O-N 3.28Å; I153-W155 VanDerWaalsContact C-N 3.29Å; I153-W155 PolarHBondContact O-N 3.5Å; I153-N156 PolarHBondContact O-N 3.22Å; I153-L157 PolarHBondContact O-N 3.08Å; I153-W203 HydrophobicContact CG2-CE3 4.46Å; I153-W203 HydrophobicContact CG2-CZ3 4.28Å; I153-V206 HydrophobicContact CG1-CG1 4.48Å; I153-V206 HydrophobicContact CG2-CG1 4.16Å; I153-E207 HydrophobicContact CG2-CB 4.03Å; I153-E207 HydrophobicContact CG2-CG 4.44Å; I153-Y210 HydrophobicContact CD1-CD1 3.91Å; I153-Y210 HydrophobicContact CD1-CD2 3.63Å; I153-Y210 HydrophobicContact CD1-CE1 4.48Å; I153-Y210 HydrophobicContact CD1-CE2 4.25Å; I153-Y210 HydrophobicContact CD1-CG 3.45Å; I153-Y210 VanDerWaalsContact CD1-CG 3.45Å; I153-F229 HydrophobicContact CD1-CD2 4.49Å
154H85.6Confident83.6Confident19 Ų1948 Ų489%0.08823%0.229CC..Hα-helixtrans-59.2-39176.7-65.2-43.7000112.5R150 L157 I158 E207 Y361R150-H154 WeakPolarHBondContact CG-NE2 3.38Å; R150-H154 PolarHBondContact O-CD2 3.25Å; R150-H154 PolarHBondContact O-N 3.33Å; H154-L157 PolarHBondContact O-N 3.3Å; H154-I158 WeakPolarHBondContact O-CB 3.39Å; H154-I158 VanDerWaalsContact O-CG1 3.29Å; H154-I158 WeakPolarHBondContact O-CG1 3.49Å; H154-I158 PolarHBondContact O-N 2.85Å; H154-E207 IonicContact CE1-OE1 3.6Å; H154-E207 PolarHBondContact CE1-OE1 2.9Å; H154-E207 IonicContact CG-OE1 3.37Å; H154-E207 IonicContact ND1-OE1 3.86Å; H154-E207 PolarHBondContact ND1-OE1 3.08Å; H154-Y361 AromaticContact CE1-CD1 3.54Å; H154-Y361 AromaticContact CE1-CE1 3.4Å; H154-Y361 WeakPolarHBondContact CE1-CE1 3.06Å; H154-Y361 AromaticContact ND1-CD1 3.83Å; H154-Y361 AromaticContact ND1-CE1 3.88Å
155W86.3Confident84.7Confident97 Ų9739.4 Ų39.437%0.36720%0.197SC..Hα-helixtrans-65.5-43.6178.3-177.222.1000112.2F137 L141 N151 I152 I153 L157 I158 T159F137-W155 AromaticContact CD2-CD1 3.87Å; F137-W155 AromaticContact CD2-NE1 3.53Å; F137-W155 AromaticContact CE2-CD1 3.68Å; F137-W155 AromaticContact CE2-NE1 2.94Å; F137-W155 HydrophobicContact CZ-CZ2 4.39Å; F137-W155 AromaticContact CZ-NE1 3.56Å; L141-W155 HydrophobicContact CD2-CZ2 3.99Å; N151-W155 VanDerWaalsContact O-CB 3.26Å; N151-W155 WeakPolarHBondContact O-CB 3.12Å; N151-W155 PolarHBondContact O-N 2.88Å; I152-W155 PolarHBondContact O-N 3.03Å; I153-W155 VanDerWaalsContact C-N 3.29Å; I153-W155 PolarHBondContact O-N 3.5Å; W155-L157 VanDerWaalsContact C-N 3.34Å; W155-I158 PolarHBondContact O-N 3.38Å; W155-T159 WeakPolarHBondContact O-CB 3.44Å; W155-T159 PolarHBondContact O-N 3.46Å; W155-T159 PolarHBondContact O-OG1 3.31Å
156N90.7Very high86.2Confident24 Ų2436.4 Ų36.413%0.12817%0.173CC..Hα-helixtrans-63-43.5174.7-78.3-84.2000110.8I152 I153 T159 T160 W203 W234I152-N156 PolarHBondContact O-N 3.44Å; I152-N156 PolarHBondContact O-ND2 2.98Å; I153-N156 PolarHBondContact O-N 3.22Å; N156-T159 WeakPolarHBondContact O-CB 3.1Å; N156-T159 PolarHBondContact O-N 2.93Å; N156-T159 VanDerWaalsContact O-N 3.15Å; N156-T160 WeakPolarHBondContact O-CG2 3.34Å; N156-T160 PolarHBondContact O-N 3.12Å; N156-W203 HydrophobicContact CB-CD2 3.74Å; N156-W203 HydrophobicContact CB-CE3 3.61Å; N156-W203 HydrophobicContact CB-CH2 3.31Å; N156-W203 HydrophobicContact CB-CZ2 3.44Å; N156-W203 VanDerWaalsContact CB-CZ2 3.44Å; N156-W203 HydrophobicContact CB-CZ3 3.4Å; N156-W203 VanDerWaalsContact CG-CH2 3.43Å; N156-W234 PolarHBondContact OD1-NE1 2.98Å
157L89.5Confident87.3Confident2 Ų235.9 Ų35.91%0.0117%0.17CC..Hα-helixtrans-59.1-50.5176.7-179.166.4000112.2I153 H154 W155 T159 T160 F161 W203 M204 E207I153-L157 PolarHBondContact O-N 3.08Å; H154-L157 PolarHBondContact O-N 3.3Å; W155-L157 VanDerWaalsContact C-N 3.34Å; L157-T159 VanDerWaalsContact C-N 3.25Å; L157-T159 PolarHBondContact O-N 2.88Å; L157-T160 PolarHBondContact O-N 3.16Å; L157-T160 VanDerWaalsContact O-N 3.13Å; L157-T160 PolarHBondContact O-OG1 2.92Å; L157-F161 HydrophobicContact CD1-CD2 4.18Å; L157-F161 HydrophobicContact CD1-CE2 3.63Å; L157-F161 HydrophobicContact CD1-CZ 4.44Å; L157-F161 HydrophobicContact CD2-CE2 4.27Å; L157-F161 HydrophobicContact CG-CD2 4.05Å; L157-F161 HydrophobicContact CG-CE2 3.72Å; L157-F161 VanDerWaalsContact O-CD2 3.28Å; L157-F161 WeakPolarHBondContact O-CD2 3.21Å; L157-F161 PolarHBondContact O-N 3.35Å; L157-F161 VanDerWaalsContact O-N 3.1Å; L157-W203 HydrophobicContact CD1-CB 3.81Å; L157-M204 HydrophobicContact CD1-CG 3.73Å; L157-E207 HydrophobicContact CD2-CB 4.49Å; L157-E207 WeakPolarHBondContact CD2-OE1 3.35Å; L157-E207 WeakPolarHBondContact CD2-OE2 3.16Å
158I89.5Confident88.2Confident2 Ų229.1 Ų29.11%0.0115%0.145CC..Hα-helixtrans-56.8-41.9175.1-70.8167.5000110.7L133 F137 F140 H154 W155 T160 F161 I162 V357L133-I158 HydrophobicContact CD2-CG2 3.98Å; F137-I158 HydrophobicContact CB-CG2 4.5Å; F137-I158 HydrophobicContact CD2-CG2 4.4Å; F140-I158 HydrophobicContact CD2-CD1 4.02Å; F140-I158 HydrophobicContact CE2-CD1 3.61Å; H154-I158 WeakPolarHBondContact O-CB 3.39Å; H154-I158 VanDerWaalsContact O-CG1 3.29Å; H154-I158 WeakPolarHBondContact O-CG1 3.49Å; H154-I158 PolarHBondContact O-N 2.85Å; W155-I158 PolarHBondContact O-N 3.38Å; I158-T160 PolarHBondContact O-N 3.26Å; I158-F161 PolarHBondContact O-N 2.97Å; I158-I162 HydrophobicContact CG2-CD1 4.02Å; I158-I162 WeakPolarHBondContact O-CG1 3.47Å; I158-I162 PolarHBondContact O-N 3.49Å; I158-V357 HydrophobicContact CG1-CG1 4.49Å
159T90.9Very high88.7Confident33 Ų3328.9 Ų28.920%0.20214%0.138CC..Hα-helixtrans-61.4-43.4177.3-57.40000111.5W155 N156 L157 F161 I162 L163W155-T159 WeakPolarHBondContact O-CB 3.44Å; W155-T159 PolarHBondContact O-N 3.46Å; W155-T159 PolarHBondContact O-OG1 3.31Å; N156-T159 WeakPolarHBondContact O-CB 3.1Å; N156-T159 PolarHBondContact O-N 2.93Å; N156-T159 VanDerWaalsContact O-N 3.15Å; L157-T159 VanDerWaalsContact C-N 3.25Å; L157-T159 PolarHBondContact O-N 2.88Å; T159-F161 VanDerWaalsContact C-N 3.31Å; T159-F161 PolarHBondContact O-N 3.03Å; T159-I162 PolarHBondContact O-N 3.33Å; T159-L163 HydrophobicContact CG2-CD1 3.91Å; T159-L163 HydrophobicContact CG2-CG 4.37Å; T159-L163 WeakPolarHBondContact O-CG 3.37Å; T159-L163 PolarHBondContact O-N 3.21Å
160T93.1Very high89Confident0 Ų030.5 Ų30.50%015%0.146CC..Hα-helixtrans-63-36.3175.865.50000112.9N156 L157 I158 L163 R164 T199 N200 W203 W234N156-T160 WeakPolarHBondContact O-CG2 3.34Å; N156-T160 PolarHBondContact O-N 3.12Å; L157-T160 PolarHBondContact O-N 3.16Å; L157-T160 VanDerWaalsContact O-N 3.13Å; L157-T160 PolarHBondContact O-OG1 2.92Å; I158-T160 PolarHBondContact O-N 3.26Å; T160-L163 PolarHBondContact O-N 3.28Å; T160-R164 WeakPolarHBondContact O-CB 3.15Å; T160-R164 PolarHBondContact O-N 3.31Å; T160-T199 HydrophobicContact CG2-CG2 3.8Å; T160-N200 PolarHBondContact OG1-ND2 3.22Å; T160-W203 HydrophobicContact CG2-CB 4.22Å; T160-W203 HydrophobicContact CG2-CG 3.82Å; T160-W234 HydrophobicContact CG2-CH2 3.88Å; T160-W234 HydrophobicContact CG2-CZ2 4.14Å; T160-W234 HydrophobicContact CG2-CZ3 4.43Å
161F91.4Very high89Confident0 Ų026.7 Ų26.70%013%0.132CC..Hα-helixtrans-65.5-41.4174.8-81.1-65.2000112.4L133 L157 I158 T159 N165 N200 M204 L321 Q353 V357L133-F161 HydrophobicContact CD1-CB 3.71Å; L133-F161 HydrophobicContact CD2-CB 4.13Å; L157-F161 HydrophobicContact CD1-CD2 4.18Å; L157-F161 HydrophobicContact CD1-CE2 3.63Å; L157-F161 HydrophobicContact CD1-CZ 4.44Å; L157-F161 HydrophobicContact CD2-CE2 4.27Å; L157-F161 HydrophobicContact CG-CD2 4.05Å; L157-F161 HydrophobicContact CG-CE2 3.72Å; L157-F161 VanDerWaalsContact O-CD2 3.28Å; L157-F161 WeakPolarHBondContact O-CD2 3.21Å; L157-F161 PolarHBondContact O-N 3.35Å; L157-F161 VanDerWaalsContact O-N 3.1Å; I158-F161 PolarHBondContact O-N 2.97Å; T159-F161 VanDerWaalsContact C-N 3.31Å; T159-F161 PolarHBondContact O-N 3.03Å; F161-N165 WeakPolarHBondContact O-CB 3.29Å; F161-N165 VanDerWaalsContact O-CG 3.25Å; F161-N165 PolarHBondContact O-N 2.88Å; F161-N165 PolarHBondContact O-ND2 3.26Å; F161-N200 WeakPolarHBondContact CD1-ND2 3.2Å; F161-N200 WeakPolarHBondContact CE1-ND2 3.45Å; F161-N200 WeakPolarHBondContact CE1-OD1 3.31Å; F161-N200 WeakPolarHBondContact CE2-ND2 3.21Å; F161-N200 VanDerWaalsContact CZ-ND2 3.29Å; F161-N200 WeakPolarHBondContact CZ-ND2 3.42Å; F161-M204 HydrophobicContact CZ-CG 4.35Å; F161-M204 HydrophobicContact CZ-SD 3.97Å; F161-L321 HydrophobicContact CZ-CD1 4.47Å; F161-Q353 HydrophobicContact CD1-CG 4.29Å; F161-Q353 HydrophobicContact CE1-CG 3.39Å; F161-Q353 HydrophobicContact CZ-CG 3.82Å; F161-V357 HydrophobicContact CD2-CG1 4.2Å; F161-V357 HydrophobicContact CD2-CG2 4.43Å; F161-V357 HydrophobicContact CE2-CB 4.37Å; F161-V357 HydrophobicContact CE2-CG1 4.09Å; F161-V357 HydrophobicContact CE2-CG2 3.76Å; F161-V357 HydrophobicContact CZ-CG2 4.03Å
162I91.9Very high89Confident29 Ų2929.1 Ų29.115%0.14914%0.143CC..Hα-helixtrans-61.2-51.5175.1-66.6167.5000109.8L133 F137 I158 T159 R164 N165 V166L133-I162 HydrophobicContact CB-CD1 4.25Å; L133-I162 HydrophobicContact CB-CG1 3.74Å; L133-I162 HydrophobicContact CD1-CG1 4.26Å; F137-I162 HydrophobicContact CB-CD1 4.04Å; F137-I162 HydrophobicContact CD2-CD1 3.89Å; F137-I162 HydrophobicContact CG-CD1 4.15Å; I158-I162 HydrophobicContact CG2-CD1 4.02Å; I158-I162 WeakPolarHBondContact O-CG1 3.47Å; I158-I162 PolarHBondContact O-N 3.49Å; T159-I162 PolarHBondContact O-N 3.33Å; I162-R164 PolarHBondContact O-N 3.27Å; I162-N165 PolarHBondContact O-N 3.31Å; I162-V166 HydrophobicContact CG2-CG2 4.22Å; I162-V166 WeakPolarHBondContact O-CB 3.08Å; I162-V166 VanDerWaalsContact O-CG2 3.28Å; I162-V166 WeakPolarHBondContact O-CG2 3.47Å; I162-V166 PolarHBondContact O-N 3.25Å
163L93Very high88.6Confident52 Ų5234 Ų3427%0.27217%0.167SC..Hα-helixtrans-61.6-43.2-179-66.9170.1000111.9T159 T160 N165 V166 M167 F196 W234T159-L163 HydrophobicContact CG2-CD1 3.91Å; T159-L163 HydrophobicContact CG2-CG 4.37Å; T159-L163 WeakPolarHBondContact O-CG 3.37Å; T159-L163 PolarHBondContact O-N 3.21Å; T160-L163 PolarHBondContact O-N 3.28Å; L163-N165 PolarHBondContact O-N 3.43Å; L163-V166 PolarHBondContact O-N 3.22Å; L163-M167 WeakPolarHBondContact O-CB 3.42Å; L163-M167 WeakPolarHBondContact O-CG 3.35Å; L163-M167 PolarHBondContact O-N 2.93Å; L163-F196 HydrophobicContact CB-CD1 3.68Å; L163-F196 HydrophobicContact CB-CD2 4.4Å; L163-F196 HydrophobicContact CB-CE1 3.84Å; L163-F196 HydrophobicContact CB-CE2 4.46Å; L163-F196 HydrophobicContact CB-CG 3.99Å; L163-F196 HydrophobicContact CB-CZ 4.2Å; L163-F196 HydrophobicContact CD1-CD1 4Å; L163-F196 HydrophobicContact CD1-CE1 3.52Å; L163-F196 HydrophobicContact CD1-CZ 4.14Å; L163-F196 HydrophobicContact CD2-CZ 4.4Å; L163-F196 HydrophobicContact CG-CD1 4.44Å; L163-F196 HydrophobicContact CG-CE1 4.15Å; L163-F196 HydrophobicContact CG-CZ 4.48Å; L163-W234 HydrophobicContact CD1-CH2 3.98Å; L163-W234 HydrophobicContact CD1-CZ3 4.49Å
164R91.7Very high88Confident7 Ų735.4 Ų35.43%0.02617%0.174CC..Hα-helixtrans-58.8-47.2175.1-174.2-174.979.2165.915.5112T160 I162 W168 F196 V197 N200 Q350T160-R164 WeakPolarHBondContact O-CB 3.15Å; T160-R164 PolarHBondContact O-N 3.31Å; I162-R164 PolarHBondContact O-N 3.27Å; R164-W168 WeakPolarHBondContact O-CB 3.34Å; R164-W168 PolarHBondContact O-N 2.96Å; R164-F196 HydrophobicContact CB-CB 4.41Å; R164-V197 HydrophobicContact CG-CG2 4.03Å; R164-N200 PolarHBondContact NH1-OD1 3.46Å; R164-Q350 PolarHBondContact NH2-O 2.63Å
165N90.9Very high86.7Confident0 Ų038.4 Ų38.40%019%0.191CC..Hα-helixtrans-70.1-40.5-179.4-72.2-18.8000112.1H126 S129 V130 F161 I162 L163 M167 W168 F169H126-N165 PolarHBondContact CE1-OD1 3.46Å; H126-N165 VanDerWaalsContact CE1-OD1 3.32Å; H126-N165 PolarHBondContact ND1-OD1 2.98Å; S129-N165 PolarHBondContact OG-ND2 2.94Å; V130-N165 HydrophobicContact CG2-CB 3.33Å; F161-N165 WeakPolarHBondContact O-CB 3.29Å; F161-N165 VanDerWaalsContact O-CG 3.25Å; F161-N165 PolarHBondContact O-N 2.88Å; F161-N165 PolarHBondContact O-ND2 3.26Å; I162-N165 PolarHBondContact O-N 3.31Å; L163-N165 PolarHBondContact O-N 3.43Å; N165-M167 VanDerWaalsContact C-N 3.32Å; N165-M167 PolarHBondContact O-N 3.43Å; N165-W168 WeakPolarHBondContact O-CB 3.39Å; N165-W168 PolarHBondContact O-N 3.26Å; N165-F169 WeakPolarHBondContact O-CD2 3.35Å; N165-F169 PolarHBondContact O-N 3.14Å
166V90.9Very high85.3Confident60 Ų6041.6 Ų41.636%0.36421%0.209SC..Hα-helixtrans-60.2-45.1175168.60000110.3I162 L163 W168 F169 L170I162-V166 HydrophobicContact CG2-CG2 4.22Å; I162-V166 WeakPolarHBondContact O-CB 3.08Å; I162-V166 VanDerWaalsContact O-CG2 3.28Å; I162-V166 WeakPolarHBondContact O-CG2 3.47Å; I162-V166 PolarHBondContact O-N 3.25Å; L163-V166 PolarHBondContact O-N 3.22Å; V166-W168 VanDerWaalsContact C-N 3.32Å; V166-W168 PolarHBondContact O-N 3.27Å; V166-F169 PolarHBondContact O-N 3.35Å; V166-L170 HydrophobicContact CG1-CD1 4.25Å; V166-L170 WeakPolarHBondContact O-CG 3.45Å; V166-L170 PolarHBondContact O-N 3.39Å
167M90.4Very high83.4Confident34 Ų3446.6 Ų46.617%0.16724%0.236CC..Hα-helixtrans-67.7-33.4177.6-68.2-71.1159.400112.4L163 N165 L170 L171 I192 Y193 F196L163-M167 WeakPolarHBondContact O-CB 3.42Å; L163-M167 WeakPolarHBondContact O-CG 3.35Å; L163-M167 PolarHBondContact O-N 2.93Å; N165-M167 VanDerWaalsContact C-N 3.32Å; N165-M167 PolarHBondContact O-N 3.43Å; M167-L170 HydrophobicContact CE-CD1 3.93Å; M167-L170 PolarHBondContact O-N 3.25Å; M167-L170 HydrophobicContact SD-CD1 3.68Å; M167-L171 WeakPolarHBondContact O-CB 3.28Å; M167-L171 PolarHBondContact O-N 2.99Å; M167-I192 HydrophobicContact CE-CG2 4Å; M167-I192 HydrophobicContact CG-CG2 4.27Å; M167-I192 HydrophobicContact SD-CG2 3.63Å; M167-Y193 HydrophobicContact CB-CD2 3.99Å; M167-F196 HydrophobicContact CB-CD2 4.42Å; M167-F196 HydrophobicContact CE-CE2 3.97Å; M167-F196 HydrophobicContact CG-CD2 3.58Å; M167-F196 HydrophobicContact CG-CE2 3.82Å; M167-F196 HydrophobicContact SD-CE2 4.33Å
168W88.6Confident81.6Confident13 Ų1350.1 Ų50.15%0.04925%0.254CS..Hα-helixtrans-60.2-45.7170.7-17581.5000111.6N122 Y123 H126 R164 N165 V166 L170 L171 Q172 Y193N122-W168 WeakPolarHBondContact ND2-CZ2 3.42Å; Y123-W168 AromaticContact CD2-CH2 3.9Å; Y123-W168 HydrophobicContact CD2-CH2 3.9Å; Y123-W168 AromaticContact CD2-CZ3 3.91Å; Y123-W168 HydrophobicContact CD2-CZ3 3.91Å; Y123-W168 HydrophobicContact CG-CH2 4.41Å; H126-W168 HydrophobicContact CB-CE3 3.91Å; H126-W168 HydrophobicContact CB-CZ3 3.87Å; H126-W168 AromaticContact CD2-CD2 3.54Å; H126-W168 AromaticContact CD2-CE2 3.66Å; H126-W168 AromaticContact CD2-CE3 3.59Å; H126-W168 AromaticContact CD2-CH2 3.89Å; H126-W168 AromaticContact CD2-CZ2 3.86Å; H126-W168 AromaticContact CD2-CZ3 3.75Å; H126-W168 AromaticContact CG-CE3 3.8Å; H126-W168 AromaticContact NE2-CD2 3.85Å; H126-W168 AromaticContact NE2-CE2 3.91Å; R164-W168 WeakPolarHBondContact O-CB 3.34Å; R164-W168 PolarHBondContact O-N 2.96Å; N165-W168 WeakPolarHBondContact O-CB 3.39Å; N165-W168 PolarHBondContact O-N 3.26Å; V166-W168 VanDerWaalsContact C-N 3.32Å; V166-W168 PolarHBondContact O-N 3.27Å; W168-L170 PolarHBondContact O-N 2.95Å; W168-L171 WeakPolarHBondContact O-CB 3.37Å; W168-L171 PolarHBondContact O-N 2.97Å; W168-Q172 HydrophobicContact CD2-CG 3.95Å; W168-Q172 HydrophobicContact CE3-CG 4.03Å; W168-Q172 HydrophobicContact CH2-CG 3.64Å; W168-Q172 HydrophobicContact CZ2-CG 3.53Å; W168-Q172 HydrophobicContact CZ3-CG 3.89Å; W168-Q172 WeakPolarHBondContact O-CG 3.42Å; W168-Q172 PolarHBondContact O-N 3.49Å; W168-Y193 HydrophobicContact CB-CE2 3.91Å; W168-Y193 HydrophobicContact CG-CE2 4.46Å
169F88.7Confident80Confident45 Ų4552.1 Ų52.120%0.19726%0.263CS..Hα-helixtrans-62.5-42.4175.1-79.2-67.3000112.7Y123 H126 C127 V130 N165 V166 L171 Q172 M173Y123-F169 AromaticContact CD2-CE1 3.99Å; Y123-F169 HydrophobicContact CD2-CE1 3.99Å; Y123-F169 HydrophobicContact CE2-CD1 4.02Å; Y123-F169 AromaticContact CE2-CE1 3.59Å; Y123-F169 HydrophobicContact CE2-CE1 3.59Å; H126-F169 HydrophobicContact CB-CE2 4.07Å; H126-F169 HydrophobicContact CB-CZ 3.86Å; C127-F169 HydrophobicContact CB-CZ 4.42Å; C127-F169 VanDerWaalsContact SG-CZ 3.55Å; V130-F169 HydrophobicContact CG2-CE2 3.94Å; N165-F169 WeakPolarHBondContact O-CD2 3.35Å; N165-F169 PolarHBondContact O-N 3.14Å; V166-F169 PolarHBondContact O-N 3.35Å; F169-L171 PolarHBondContact O-N 2.97Å; F169-Q172 PolarHBondContact O-N 2.91Å; F169-M173 PolarHBondContact O-N 3.08Å
170L87.1Confident78.3Confident72 Ų7259.6 Ų59.638%0.37730%0.296SS..Hα-helixtrans-59.4-38.4175.5-70.6173.6000111.4V166 M167 W168 M173 I174V166-L170 HydrophobicContact CG1-CD1 4.25Å; V166-L170 WeakPolarHBondContact O-CG 3.45Å; V166-L170 PolarHBondContact O-N 3.39Å; M167-L170 HydrophobicContact CE-CD1 3.93Å; M167-L170 PolarHBondContact O-N 3.25Å; M167-L170 HydrophobicContact SD-CD1 3.68Å; W168-L170 PolarHBondContact O-N 2.95Å; L170-M173 PolarHBondContact O-N 3.46Å; L170-I174 WeakPolarHBondContact O-CG1 3.39Å
171L82.9Confident76.7Confident6 Ų663.2 Ų63.23%0.03132%0.321CS..Hα-helixtrans-69.7-38.8177-167.760.9000112.4M167 W168 F169 M173 I174 I189 Y193 F258M167-L171 WeakPolarHBondContact O-CB 3.28Å; M167-L171 PolarHBondContact O-N 2.99Å; W168-L171 WeakPolarHBondContact O-CB 3.37Å; W168-L171 PolarHBondContact O-N 2.97Å; F169-L171 PolarHBondContact O-N 2.97Å; L171-M173 VanDerWaalsContact C-N 3.32Å; L171-I174 HydrophobicContact CD1-CD1 4.26Å; L171-I174 PolarHBondContact O-N 3.27Å; L171-I189 HydrophobicContact CD1-CG2 4.22Å; L171-Y193 HydrophobicContact CD2-CD1 3.84Å; L171-Y193 HydrophobicContact CD2-CD2 4.38Å; L171-Y193 HydrophobicContact CD2-CE1 4.17Å; L171-Y193 HydrophobicContact CD2-CG 3.94Å; L171-F258 HydrophobicContact CD1-CD2 3.54Å; L171-F258 HydrophobicContact CD1-CE2 3.87Å; L171-F258 HydrophobicContact CD1-CG 4.21Å; L171-F258 HydrophobicContact CD2-CD2 3.57Å; L171-F258 HydrophobicContact CD2-CE2 3.27Å; L171-F258 HydrophobicContact CD2-CZ 4.35Å; L171-F258 HydrophobicContact CG-CD2 3.58Å; L171-F258 HydrophobicContact CG-CE2 3.33Å; L171-F258 HydrophobicContact CG-CZ 4.1Å
172Q81.5Confident75.5Confident68 Ų6867.4 Ų67.432%0.31834%0.344SS..Hα-helixtrans-70.9-25.5174.8-64.4-54.5-55.800113.5W168 F169 I174W168-Q172 HydrophobicContact CD2-CG 3.95Å; W168-Q172 HydrophobicContact CE3-CG 4.03Å; W168-Q172 HydrophobicContact CH2-CG 3.64Å; W168-Q172 HydrophobicContact CZ2-CG 3.53Å; W168-Q172 HydrophobicContact CZ3-CG 3.89Å; W168-Q172 WeakPolarHBondContact O-CG 3.42Å; W168-Q172 PolarHBondContact O-N 3.49Å; F169-Q172 PolarHBondContact O-N 2.91Å; Q172-I174 VanDerWaalsContact C-N 3.26Å; Q172-I174 PolarHBondContact O-N 3.42Å
173M78.1Confident74.7Confident150 Ų15069 Ų6974%0.73935%0.351SS*.THydrogen-bonded Turntrans-74.1-15.7175.2-86.4-16958.100113.5F169 L170 L171 D175F169-M173 PolarHBondContact O-N 3.08Å; L170-M173 PolarHBondContact O-N 3.46Å; L171-M173 VanDerWaalsContact C-N 3.32Å; M173-D175 PolarHBondContact O-N 3.38Å
174I74.9Confident74.1Confident30 Ų3070.8 Ų70.815%0.15437%0.365CS..SBendtrans-75.197.8175.8-62.6168.1000107.3L170 L171 Q172 I189L170-I174 WeakPolarHBondContact O-CG1 3.39Å; L171-I174 HydrophobicContact CD1-CD1 4.26Å; L171-I174 PolarHBondContact O-N 3.27Å; Q172-I174 VanDerWaalsContact C-N 3.26Å; Q172-I174 PolarHBondContact O-N 3.42Å; I174-I189 HydrophobicContact CD1-CB 4.25Å; I174-I189 HydrophobicContact CD1-CD1 3.86Å; I174-I189 HydrophobicContact CD1-CG2 4.01Å
175D59.2Low73.7Confident83 Ų8378.5 Ų78.544%0.44439%0.394SS..  trans-62153.9176.1-172.427.1000111.6M173 N177 I178M173-D175 PolarHBondContact O-N 3.38Å; D175-N177 PolarHBondContact O-N 3.39Å; D175-N177 VanDerWaalsContact O-N 3.13Å; D175-N177 PolarHBondContact OD2-ND2 2.68Å; D175-I178 PolarHBondContact O-N 3.1Å
176H56.6Low73.4Confident164 Ų16478.6 Ų78.676%0.75940%0.395SS*.G310 helixtrans-55.6-30.8177.1-97.7-73.5000112.2I178 H179H176-I178 VanDerWaalsContact C-N 3.31Å; H176-I178 PolarHBondContact O-N 3.3Å; H176-H179 PolarHBondContact O-N 3.41Å
177N50.5Low73.1Confident129 Ų12977.1 Ų77.169%0.6938%0.383SS*.G310 helixtrans-74.6-16.2-179.4-60.4-54.5000114D175D175-N177 PolarHBondContact O-N 3.39Å; D175-N177 VanDerWaalsContact O-N 3.13Å; D175-N177 PolarHBondContact OD2-ND2 2.68Å
178I52.8Low72.9Confident75 Ų7578.8 Ų78.839%0.38540%0.397SS..G310 helixtrans-91.7-15.2179.4-59.5178.9000111.6D175 H176 E180 S181 N182D175-I178 PolarHBondContact O-N 3.1Å; H176-I178 VanDerWaalsContact C-N 3.31Å; H176-I178 PolarHBondContact O-N 3.3Å; I178-E180 PolarHBondContact O-N 3.13Å; I178-S181 PolarHBondContact O-N 3.33Å; I178-N182 PolarHBondContact O-N 2.94Å
179H54.4Low72.9Confident45 Ų4578.9 Ų78.921%0.20840%0.398CS..THydrogen-bonded Turntrans-57.2-32176.3-10058.5000112.8H176 C186 C256H176-H179 PolarHBondContact O-N 3.41Å; H179-C186 VanDerWaalsContact CE1-SG 3.53Å; H179-C256 VanDerWaalsContact CD2-CB 3.46Å; H179-C256 WeakPolarHBondContact CD2-CB 3.34Å; H179-C256 VanDerWaalsContact NE2-CB 3.33Å; H179-C256 WeakPolarHBondContact NE2-CB 3.48Å
180E55Low72.8Confident190 Ų19076.9 Ų76.989%0.88839%0.39SS*.THydrogen-bonded Turntrans-87.5-19.4-178.8-66.4-168163.400114.1I178I178-E180 PolarHBondContact O-N 3.13Å
181S59.8Low72.9Confident76 Ų7674.9 Ų74.953%0.53138%0.381SS..THydrogen-bonded Turntrans-97.2-26.6-172.872.40000115.2I178I178-S181 PolarHBondContact O-N 3.33Å
182N67.5Low73.4Confident87 Ų8778.1 Ų78.147%0.46540%0.397SS..  trans-140.462.6-175-71.9-74.3000112.3I178 W185 C186I178-N182 PolarHBondContact O-N 2.94Å; N182-W185 HydrophobicContact CB-CB 4.05Å; N182-W185 WeakPolarHBondContact O-CB 3.11Å; N182-W185 PolarHBondContact O-N 3.35Å; N182-W185 VanDerWaalsContact O-N 3.16Å; N182-C186 PolarHBondContact O-N 3.05Å
183E73.9Confident73.9Confident64 Ų6476.3 Ų76.330%0.29939%0.388SS..Hα-helixtrans-51-47.8179.7-161.3-178-172.100115.1W185 C186 R187 E254 Q255E183-W185 VanDerWaalsContact C-N 3.3Å; E183-W185 PolarHBondContact O-N 3.24Å; E183-C186 PolarHBondContact O-N 3.33Å; E183-R187 WeakPolarHBondContact O-CG 3.48Å; E183-R187 PolarHBondContact O-N 2.81Å; E183-R187 VanDerWaalsContact O-N 3.15Å; E183-R187 IonicContact OE1-CZ 3.46Å; E183-R187 IonicContact OE1-NE 3.63Å; E183-R187 IonicContact OE1-NH2 2.89Å; E183-R187 PolarHBondContact OE1-NH2 3.44Å; E183-R187 IonicContact OE2-NH2 3.36Å; E183-E254 VanDerWaalsContact OE1-C 3.31Å; E183-Q255 PolarHBondContact OE1-N 3.35Å
184P81.3Confident74.4Confident89 Ų8969.9 Ų69.958%0.57836%0.356SS*.Hα-helixtrans-66.3-31.3-179.924.7-33.8000113C188P184-C188 WeakPolarHBondContact O-CB 3.27Å; P184-C188 PolarHBondContact O-N 2.91Å; P184-C188 PolarHBondContact O-SG 2.87Å
185W82.1Confident75.3Confident168 Ų16870.6 Ų70.664%0.63636%0.358SS*.Hα-helixtrans-67.8-43.5178.2-176.5-108.3000111.5N182 E183 R187 C188 I189N182-W185 HydrophobicContact CB-CB 4.05Å; N182-W185 WeakPolarHBondContact O-CB 3.11Å; N182-W185 PolarHBondContact O-N 3.35Å; N182-W185 VanDerWaalsContact O-N 3.16Å; E183-W185 VanDerWaalsContact C-N 3.3Å; E183-W185 PolarHBondContact O-N 3.24Å; W185-R187 PolarHBondContact O-N 3.39Å; W185-C188 PolarHBondContact O-N 3.41Å; W185-I189 HydrophobicContact CD2-CD1 4.33Å; W185-I189 HydrophobicContact CG-CD1 4.45Å; W185-I189 HydrophobicContact CZ2-CD1 3.95Å; W185-I189 PolarHBondContact O-N 3.43Å
186C84.6Confident77Confident3 Ų367.9 Ų67.92%0.0234%0.342CS..Hα-helixtrans-63.5-40.7177.2-166.60000111.9H179 N182 E183 I189 T190 C256H179-C186 VanDerWaalsContact CE1-SG 3.53Å; N182-C186 PolarHBondContact O-N 3.05Å; E183-C186 PolarHBondContact O-N 3.33Å; C186-I189 PolarHBondContact O-N 3.37Å; C186-T190 WeakPolarHBondContact O-CB 3.42Å; C186-T190 PolarHBondContact O-N 2.94Å; C186-T190 PolarHBondContact O-OG1 3.01Å; C186-C256 VanDerWaalsContact C-SG 3.53Å; C186-C256 HydrophobicContact CB-CB 3.72Å; C186-C256 WeakPolarHBondContact CB-SG 3.4Å; C186-C256 WeakPolarHBondContact SG-CB 3.41Å; C186-C256 CovalentContact SG-SG 2.01Å; C186-C256 PolarHBondContact SG-SG 3.39Å
187R84.9Confident78.6Confident29 Ų2960.4 Ų60.411%0.10931%0.308CS..Hα-helixtrans-62.6-44.4174-65.9171.5-174.7-168.1-0.6112.3E183 W185 T190 T191 N253 W257E183-R187 WeakPolarHBondContact O-CG 3.48Å; E183-R187 PolarHBondContact O-N 2.81Å; E183-R187 VanDerWaalsContact O-N 3.15Å; E183-R187 IonicContact OE1-CZ 3.46Å; E183-R187 IonicContact OE1-NE 3.63Å; E183-R187 IonicContact OE1-NH2 2.89Å; E183-R187 PolarHBondContact OE1-NH2 3.44Å; E183-R187 IonicContact OE2-NH2 3.36Å; W185-R187 PolarHBondContact O-N 3.39Å; R187-T190 PolarHBondContact O-N 3.11Å; R187-T191 WeakPolarHBondContact O-CB 3.32Å; R187-T191 PolarHBondContact O-N 3.43Å; R187-T191 PolarHBondContact O-OG1 2.94Å; R187-N253 VanDerWaalsContact CZ-OD1 3.25Å; R187-N253 PolarHBondContact NH1-OD1 2.88Å; R187-N253 PolarHBondContact NH2-O 3.43Å; R187-N253 PolarHBondContact NH2-OD1 2.89Å; R187-W257 HydrophobicContact CB-CD2 4.35Å; R187-W257 HydrophobicContact CB-CE3 4.21Å; R187-W257 HydrophobicContact CB-CH2 4.46Å; R187-W257 HydrophobicContact CB-CZ3 4.28Å; R187-W257 HydrophobicContact CG-CD2 4.11Å; R187-W257 HydrophobicContact CG-CE3 4.48Å; R187-W257 HydrophobicContact CG-CG 4.49Å; R187-W257 HydrophobicContact CG-CZ2 4.35Å
188C87.1Confident80.6Confident68 Ų6854.3 Ų54.346%0.45928%0.275SS..Hα-helixtrans-60.7-50.5176.5-77.30000111.7P184 W185 T190 T191 I192P184-C188 WeakPolarHBondContact O-CB 3.27Å; P184-C188 PolarHBondContact O-N 2.91Å; P184-C188 PolarHBondContact O-SG 2.87Å; W185-C188 PolarHBondContact O-N 3.41Å; C188-T190 VanDerWaalsContact C-N 3.33Å; C188-T190 PolarHBondContact O-N 3.44Å; C188-T191 PolarHBondContact O-N 3.13Å; C188-I192 WeakPolarHBondContact O-CB 3.29Å; C188-I192 WeakPolarHBondContact O-CD1 3.24Å; C188-I192 WeakPolarHBondContact O-CG1 3.33Å; C188-I192 PolarHBondContact O-N 2.88Å
189I88.4Confident82.5Confident15 Ų1550.8 Ų50.88%0.07726%0.257CS..Hα-helixtrans-61.3-43.1178.9-70.3179.5000110.9L171 I174 W185 C186 T191 I192 Y193L171-I189 HydrophobicContact CD1-CG2 4.22Å; I174-I189 HydrophobicContact CD1-CB 4.25Å; I174-I189 HydrophobicContact CD1-CD1 3.86Å; I174-I189 HydrophobicContact CD1-CG2 4.01Å; W185-I189 HydrophobicContact CD2-CD1 4.33Å; W185-I189 HydrophobicContact CG-CD1 4.45Å; W185-I189 HydrophobicContact CZ2-CD1 3.95Å; W185-I189 PolarHBondContact O-N 3.43Å; C186-I189 PolarHBondContact O-N 3.37Å; I189-T191 VanDerWaalsContact C-N 3.34Å; I189-T191 PolarHBondContact O-N 3.42Å; I189-I192 PolarHBondContact O-N 2.99Å; I189-Y193 WeakPolarHBondContact O-CB 3.23Å; I189-Y193 PolarHBondContact O-N 3.35Å
190T86.8Confident84.3Confident4 Ų448.6 Ų48.63%0.02525%0.247CC..Hα-helixtrans-62.6-42178.2-590000111.8C186 R187 C188 Y193 N194 W244 W257C186-T190 WeakPolarHBondContact O-CB 3.42Å; C186-T190 PolarHBondContact O-N 2.94Å; C186-T190 PolarHBondContact O-OG1 3.01Å; R187-T190 PolarHBondContact O-N 3.11Å; C188-T190 VanDerWaalsContact C-N 3.33Å; C188-T190 PolarHBondContact O-N 3.44Å; T190-Y193 PolarHBondContact O-N 3.48Å; T190-N194 PolarHBondContact O-N 3.05Å; T190-N194 PolarHBondContact O-ND2 3.31Å; T190-W244 HydrophobicContact CG2-CH2 4.48Å; T190-W257 HydrophobicContact CG2-CB 4Å; T190-W257 WeakPolarHBondContact CG2-O 3.44Å
191T89.7Confident86Confident29 Ų2939.7 Ų39.718%0.17821%0.205CC..Hα-helixtrans-63.4-45.2176.5-56.10000111.5R187 C188 I189 Y193 N194 Y195 I241 A245 W257R187-T191 WeakPolarHBondContact O-CB 3.32Å; R187-T191 PolarHBondContact O-N 3.43Å; R187-T191 PolarHBondContact O-OG1 2.94Å; C188-T191 PolarHBondContact O-N 3.13Å; I189-T191 VanDerWaalsContact C-N 3.34Å; I189-T191 PolarHBondContact O-N 3.42Å; T191-Y193 VanDerWaalsContact C-N 3.35Å; T191-N194 PolarHBondContact O-N 3.49Å; T191-Y195 WeakPolarHBondContact O-CB 3.28Å; T191-Y195 PolarHBondContact O-N 3.48Å; T191-I241 HydrophobicContact CG2-CG2 3.71Å; T191-A245 HydrophobicContact CG2-CB 4.08Å; T191-W257 VanDerWaalsContact OG1-CZ3 3.25Å; T191-W257 WeakPolarHBondContact OG1-CZ3 3.27Å
192I92.3Very high87.6Confident74 Ų7436.7 Ų36.738%0.37918%0.183SC..Hα-helixtrans-63.4-42.6177.5-68.8166.9000110.5M167 C188 I189 Y195 F196M167-I192 HydrophobicContact CE-CG2 4Å; M167-I192 HydrophobicContact CG-CG2 4.27Å; M167-I192 HydrophobicContact SD-CG2 3.63Å; C188-I192 WeakPolarHBondContact O-CB 3.29Å; C188-I192 WeakPolarHBondContact O-CD1 3.24Å; C188-I192 WeakPolarHBondContact O-CG1 3.33Å; C188-I192 PolarHBondContact O-N 2.88Å; I189-I192 PolarHBondContact O-N 2.99Å; I192-Y195 WeakPolarHBondContact O-CB 3.19Å; I192-Y195 PolarHBondContact O-N 3.43Å; I192-F196 HydrophobicContact CG2-CD2 3.72Å; I192-F196 HydrophobicContact CG2-CE2 3.33Å; I192-F196 HydrophobicContact CG2-CZ 4.39Å; I192-F196 WeakPolarHBondContact O-CD2 3.46Å; I192-F196 PolarHBondContact O-N 2.72Å
193Y91.3Very high88.8Confident31 Ų3132.6 Ų32.612%0.12216%0.161CC..Hα-helixtrans-58.2-51.4174.4171.4-103.2000111.4M167 W168 L171 I189 T190 T191 Y195 F196 V197M167-Y193 HydrophobicContact CB-CD2 3.99Å; W168-Y193 HydrophobicContact CB-CE2 3.91Å; W168-Y193 HydrophobicContact CG-CE2 4.46Å; L171-Y193 HydrophobicContact CD2-CD1 3.84Å; L171-Y193 HydrophobicContact CD2-CD2 4.38Å; L171-Y193 HydrophobicContact CD2-CE1 4.17Å; L171-Y193 HydrophobicContact CD2-CG 3.94Å; I189-Y193 WeakPolarHBondContact O-CB 3.23Å; I189-Y193 PolarHBondContact O-N 3.35Å; T190-Y193 PolarHBondContact O-N 3.48Å; T191-Y193 VanDerWaalsContact C-N 3.35Å; Y193-Y195 VanDerWaalsContact C-N 3.27Å; Y193-Y195 PolarHBondContact O-N 2.99Å; Y193-F196 PolarHBondContact O-N 2.91Å; Y193-F196 VanDerWaalsContact O-N 3.13Å; Y193-V197 HydrophobicContact CD1-CG2 4.28Å; Y193-V197 HydrophobicContact CD2-CG2 4.31Å; Y193-V197 HydrophobicContact CE1-CG2 3.81Å; Y193-V197 HydrophobicContact CE2-CG2 3.84Å; Y193-V197 WeakPolarHBondContact O-CG2 3.23Å; Y193-V197 PolarHBondContact O-N 3.31Å
194N89.9Confident89.4Confident14 Ų1430.1 Ų30.18%0.07515%0.149CC..Hα-helixtrans-60.9-36.8177.9-75.2-33.4000112.1T190 T191 V197 V198 I241 W244T190-N194 PolarHBondContact O-N 3.05Å; T190-N194 PolarHBondContact O-ND2 3.31Å; T191-N194 PolarHBondContact O-N 3.49Å; N194-V197 PolarHBondContact O-N 2.7Å; N194-V198 WeakPolarHBondContact O-CG2 3.45Å; N194-V198 PolarHBondContact O-N 3.43Å; N194-I241 HydrophobicContact CB-CD1 3.97Å; N194-W244 HydrophobicContact CB-CZ3 4.5Å; N194-W244 WeakPolarHBondContact ND2-CH2 3.41Å
195Y93.8Very high89.8Confident46 Ų4627.5 Ų27.518%0.1813%0.129CC..Hα-helixtrans-58.6-48.5171.8171.4-103.2000113T191 I192 Y193 V197 V198 T199 W234 P237 C238T191-Y195 WeakPolarHBondContact O-CB 3.28Å; T191-Y195 PolarHBondContact O-N 3.48Å; I192-Y195 WeakPolarHBondContact O-CB 3.19Å; I192-Y195 PolarHBondContact O-N 3.43Å; Y193-Y195 VanDerWaalsContact C-N 3.27Å; Y193-Y195 PolarHBondContact O-N 2.99Å; Y195-V197 VanDerWaalsContact C-N 3.32Å; Y195-V197 PolarHBondContact O-N 3.48Å; Y195-V198 PolarHBondContact O-N 2.92Å; Y195-T199 WeakPolarHBondContact CE2-OG1 3.31Å; Y195-T199 WeakPolarHBondContact O-CB 3.36Å; Y195-T199 PolarHBondContact O-N 2.85Å; Y195-T199 PolarHBondContact O-OG1 2.89Å; Y195-W234 PolarHBondContact OH-O 3.27Å; Y195-P237 HydrophobicContact CD2-CB 4.19Å; Y195-P237 HydrophobicContact CE2-CB 3.91Å; Y195-C238 HydrophobicContact CE2-CB 4.35Å; Y195-C238 WeakPolarHBondContact CE2-SG 3.09Å
196F94.4Very high90.3Very high25 Ų2519.6 Ų19.611%0.1110%0.099CC..Hα-helixtrans-69.2-30.4178-69.5-59.9000113.1L163 R164 M167 I192 Y193 N200 W234L163-F196 HydrophobicContact CB-CD1 3.68Å; L163-F196 HydrophobicContact CB-CD2 4.4Å; L163-F196 HydrophobicContact CB-CE1 3.84Å; L163-F196 HydrophobicContact CB-CE2 4.46Å; L163-F196 HydrophobicContact CB-CG 3.99Å; L163-F196 HydrophobicContact CB-CZ 4.2Å; L163-F196 HydrophobicContact CD1-CD1 4Å; L163-F196 HydrophobicContact CD1-CE1 3.52Å; L163-F196 HydrophobicContact CD1-CZ 4.14Å; L163-F196 HydrophobicContact CD2-CZ 4.4Å; L163-F196 HydrophobicContact CG-CD1 4.44Å; L163-F196 HydrophobicContact CG-CE1 4.15Å; L163-F196 HydrophobicContact CG-CZ 4.48Å; R164-F196 HydrophobicContact CB-CB 4.41Å; M167-F196 HydrophobicContact CB-CD2 4.42Å; M167-F196 HydrophobicContact CE-CE2 3.97Å; M167-F196 HydrophobicContact CG-CD2 3.58Å; M167-F196 HydrophobicContact CG-CE2 3.82Å; M167-F196 HydrophobicContact SD-CE2 4.33Å; I192-F196 HydrophobicContact CG2-CD2 3.72Å; I192-F196 HydrophobicContact CG2-CE2 3.33Å; I192-F196 HydrophobicContact CG2-CZ 4.39Å; I192-F196 WeakPolarHBondContact O-CD2 3.46Å; I192-F196 PolarHBondContact O-N 2.72Å; Y193-F196 PolarHBondContact O-N 2.91Å; Y193-F196 VanDerWaalsContact O-N 3.13Å; F196-N200 WeakPolarHBondContact O-CB 3.3Å; F196-N200 PolarHBondContact O-N 3.39Å; F196-W234 HydrophobicContact CE1-CZ3 4.39Å
197V89.8Confident90.4Very high8 Ų820 Ų205%0.04810%0.101CC..Hα-helixtrans-62.6-53171.7170.90000110.6R164 Y193 N194 Y195 T199 N200 F201R164-V197 HydrophobicContact CG-CG2 4.03Å; Y193-V197 HydrophobicContact CD1-CG2 4.28Å; Y193-V197 HydrophobicContact CD2-CG2 4.31Å; Y193-V197 HydrophobicContact CE1-CG2 3.81Å; Y193-V197 HydrophobicContact CE2-CG2 3.84Å; Y193-V197 WeakPolarHBondContact O-CG2 3.23Å; Y193-V197 PolarHBondContact O-N 3.31Å; N194-V197 PolarHBondContact O-N 2.7Å; Y195-V197 VanDerWaalsContact C-N 3.32Å; Y195-V197 PolarHBondContact O-N 3.48Å; V197-T199 PolarHBondContact O-N 2.93Å; V197-N200 WeakPolarHBondContact O-CB 3.31Å; V197-N200 PolarHBondContact O-N 3.48Å; V197-F201 HydrophobicContact CG1-CD2 4.16Å; V197-F201 HydrophobicContact CG1-CE2 3.68Å; V197-F201 WeakPolarHBondContact O-CD2 3.29Å; V197-F201 PolarHBondContact O-N 3.49Å
198V91.9Very high90.5Very high1 Ų119.1 Ų19.11%0.00610%0.1CC..Hα-helixtrans-62.7-46.1178.9176.10000110.8N194 Y195 N200 F201 F202 P237 I241 Y270 V274N194-V198 WeakPolarHBondContact O-CG2 3.45Å; N194-V198 PolarHBondContact O-N 3.43Å; Y195-V198 PolarHBondContact O-N 2.92Å; V198-N200 VanDerWaalsContact C-N 3.25Å; V198-N200 PolarHBondContact O-N 3.48Å; V198-F201 WeakPolarHBondContact O-CA 3.46Å; V198-F201 WeakPolarHBondContact O-CB 3.19Å; V198-F201 PolarHBondContact O-N 2.97Å; V198-F202 HydrophobicContact CG1-CD2 3.7Å; V198-F202 HydrophobicContact CG1-CE2 3.66Å; V198-F202 WeakPolarHBondContact O-CD2 3.46Å; V198-F202 PolarHBondContact O-N 3.24Å; V198-P237 HydrophobicContact CB-CB 4.43Å; V198-P237 HydrophobicContact CG1-CB 3.89Å; V198-P237 HydrophobicContact CG1-CG 4.39Å; V198-I241 HydrophobicContact CB-CD1 4.41Å; V198-I241 HydrophobicContact CB-CG1 4.46Å; V198-I241 HydrophobicContact CG2-CD1 3.74Å; V198-I241 HydrophobicContact CG2-CG1 4.29Å; V198-Y270 HydrophobicContact CG2-CD2 3.9Å; V198-V274 HydrophobicContact CB-CG2 4.41Å; V198-V274 HydrophobicContact CG1-CG2 4.14Å; V198-V274 HydrophobicContact CG2-CG2 3.89Å
199T94.6Very high90.6Very high0 Ų017.3 Ų17.30%09%0.088CC..Hα-helixtrans-56.2-40.6176.7-61.60000112T160 Y195 V197 F201 F202 W203 W234 P237T160-T199 HydrophobicContact CG2-CG2 3.8Å; Y195-T199 WeakPolarHBondContact CE2-OG1 3.31Å; Y195-T199 WeakPolarHBondContact O-CB 3.36Å; Y195-T199 PolarHBondContact O-N 2.85Å; Y195-T199 PolarHBondContact O-OG1 2.89Å; V197-T199 PolarHBondContact O-N 2.93Å; T199-F201 PolarHBondContact O-N 3.34Å; T199-F202 PolarHBondContact O-N 3.49Å; T199-W203 VanDerWaalsContact O-CD1 3.3Å; T199-W203 PolarHBondContact O-N 3Å; T199-W234 HydrophobicContact CG2-CD2 4.31Å; T199-W234 HydrophobicContact CG2-CE3 3.6Å; T199-W234 HydrophobicContact CG2-CH2 4.39Å; T199-W234 HydrophobicContact CG2-CZ3 3.66Å; T199-P237 WeakPolarHBondContact OG1-CB 3.38Å
200N92.1Very high90.5Very high0 Ų018.2 Ų18.20%09%0.091CC..Hα-helixtrans-61.7-41.2175.4179.5-113.4000112.2T160 F161 R164 F196 V197 V198 W203 M204T160-N200 PolarHBondContact OG1-ND2 3.22Å; F161-N200 WeakPolarHBondContact CD1-ND2 3.2Å; F161-N200 WeakPolarHBondContact CE1-ND2 3.45Å; F161-N200 WeakPolarHBondContact CE1-OD1 3.31Å; F161-N200 WeakPolarHBondContact CE2-ND2 3.21Å; F161-N200 VanDerWaalsContact CZ-ND2 3.29Å; F161-N200 WeakPolarHBondContact CZ-ND2 3.42Å; R164-N200 PolarHBondContact NH1-OD1 3.46Å; F196-N200 WeakPolarHBondContact O-CB 3.3Å; F196-N200 PolarHBondContact O-N 3.39Å; V197-N200 WeakPolarHBondContact O-CB 3.31Å; V197-N200 PolarHBondContact O-N 3.48Å; V198-N200 VanDerWaalsContact C-N 3.25Å; V198-N200 PolarHBondContact O-N 3.48Å; N200-W203 PolarHBondContact O-N 3.1Å; N200-M204 WeakPolarHBondContact O-CG 3.36Å; N200-M204 PolarHBondContact O-N 3.26Å; N200-M204 WeakPolarHBondContact OD1-CE 3.36Å
201F90.3Very high90.5Very high3 Ų320.8 Ų20.81%0.01310%0.104CC..Hα-helixtrans-62.8-44.1173.5-72.3-67.3000113.1V197 V198 T199 W203 M204 F205 V274 L278 Y325V197-F201 HydrophobicContact CG1-CD2 4.16Å; V197-F201 HydrophobicContact CG1-CE2 3.68Å; V197-F201 WeakPolarHBondContact O-CD2 3.29Å; V197-F201 PolarHBondContact O-N 3.49Å; V198-F201 WeakPolarHBondContact O-CA 3.46Å; V198-F201 WeakPolarHBondContact O-CB 3.19Å; V198-F201 PolarHBondContact O-N 2.97Å; T199-F201 PolarHBondContact O-N 3.34Å; F201-W203 VanDerWaalsContact C-N 3.32Å; F201-W203 PolarHBondContact O-N 2.82Å; F201-M204 HydrophobicContact CB-CE 4.36Å; F201-M204 HydrophobicContact CD1-CE 3.25Å; F201-M204 HydrophobicContact CE1-CE 3.62Å; F201-M204 HydrophobicContact CG-CE 3.96Å; F201-M204 PolarHBondContact O-N 3.5Å; F201-F205 PolarHBondContact O-N 3.46Å; F201-V274 HydrophobicContact CB-CG1 4.33Å; F201-V274 HydrophobicContact CD1-CG1 4.22Å; F201-V274 HydrophobicContact CD2-CG1 3.59Å; F201-V274 HydrophobicContact CD2-CG2 4.14Å; F201-V274 HydrophobicContact CE1-CG1 4.49Å; F201-V274 HydrophobicContact CE2-CG1 3.88Å; F201-V274 HydrophobicContact CG-CG1 3.79Å; F201-V274 HydrophobicContact CZ-CG1 4.34Å; F201-L278 HydrophobicContact CD1-CD1 4.33Å; F201-L278 HydrophobicContact CD1-CD2 3.59Å; F201-L278 HydrophobicContact CD1-CG 4.17Å; F201-L278 HydrophobicContact CE1-CD1 4.14Å; F201-L278 HydrophobicContact CE1-CD2 3.87Å; F201-L278 HydrophobicContact CE1-CG 4.43Å; F201-Y325 HydrophobicContact CE1-CD2 4.13Å; F201-Y325 HydrophobicContact CE1-CG 4.12Å; F201-Y325 HydrophobicContact CE2-CD1 4.42Å; F201-Y325 HydrophobicContact CE2-CE1 4.29Å; F201-Y325 HydrophobicContact CE2-CE2 4.4Å; F201-Y325 AromaticContact CZ-CD1 3.87Å; F201-Y325 HydrophobicContact CZ-CD1 3.87Å; F201-Y325 AromaticContact CZ-CD2 3.48Å; F201-Y325 HydrophobicContact CZ-CD2 3.48Å; F201-Y325 VanDerWaalsContact CZ-CD2 3.48Å; F201-Y325 HydrophobicContact CZ-CE1 4.06Å; F201-Y325 AromaticContact CZ-CE2 3.68Å; F201-Y325 HydrophobicContact CZ-CE2 3.68Å; F201-Y325 AromaticContact CZ-CG 3.56Å; F201-Y325 HydrophobicContact CZ-CG 3.56Å; F201-Y325 AromaticContact CZ-CZ 3.96Å
202F92.7Very high90.3Very high13 Ų1321.1 Ų21.16%0.05710%0.103CC..Hα-helixtrans-62.7-38.4176.2-86.8-95.5000112.1V198 T199 F205 V206 I232 I236 P237 I240 V277V198-F202 HydrophobicContact CG1-CD2 3.7Å; V198-F202 HydrophobicContact CG1-CE2 3.66Å; V198-F202 WeakPolarHBondContact O-CD2 3.46Å; V198-F202 PolarHBondContact O-N 3.24Å; T199-F202 PolarHBondContact O-N 3.49Å; F202-F205 WeakPolarHBondContact O-CB 3.33Å; F202-F205 PolarHBondContact O-N 3.25Å; F202-V206 WeakPolarHBondContact O-CG2 3.42Å; F202-V206 PolarHBondContact O-N 3.31Å; F202-I232 HydrophobicContact CD1-CG2 4.49Å; F202-I236 HydrophobicContact CD1-CB 4.31Å; F202-I236 HydrophobicContact CD1-CG2 4.22Å; F202-I236 HydrophobicContact CE1-CB 4.01Å; F202-I236 HydrophobicContact CE1-CG2 3.43Å; F202-I236 VanDerWaalsContact CE1-CG2 3.43Å; F202-I236 HydrophobicContact CZ-CG2 3.73Å; F202-P237 HydrophobicContact CB-CG 3.99Å; F202-P237 HydrophobicContact CD2-CG 3.82Å; F202-P237 HydrophobicContact CE2-CG 4.45Å; F202-P237 HydrophobicContact CG-CG 3.86Å; F202-I240 HydrophobicContact CE2-CD1 3.93Å; F202-I240 HydrophobicContact CZ-CD1 3.73Å; F202-V277 HydrophobicContact CE1-CG2 4.06Å; F202-V277 HydrophobicContact CE2-CG2 4.33Å; F202-V277 HydrophobicContact CZ-CG2 3.95Å
203W92.6Very high90Very high1 Ų118.6 Ų18.60%0.0049%0.091CC..Hα-helixtrans-69-36174.9-8798000113.3I153 N156 L157 T160 T199 N200 F201 F205 V206 E207 L230 G233 W234I153-W203 HydrophobicContact CG2-CE3 4.46Å; I153-W203 HydrophobicContact CG2-CZ3 4.28Å; N156-W203 HydrophobicContact CB-CD2 3.74Å; N156-W203 HydrophobicContact CB-CE3 3.61Å; N156-W203 HydrophobicContact CB-CH2 3.31Å; N156-W203 HydrophobicContact CB-CZ2 3.44Å; N156-W203 VanDerWaalsContact CB-CZ2 3.44Å; N156-W203 HydrophobicContact CB-CZ3 3.4Å; N156-W203 VanDerWaalsContact CG-CH2 3.43Å; L157-W203 HydrophobicContact CD1-CB 3.81Å; T160-W203 HydrophobicContact CG2-CB 4.22Å; T160-W203 HydrophobicContact CG2-CG 3.82Å; T199-W203 VanDerWaalsContact O-CD1 3.3Å; T199-W203 PolarHBondContact O-N 3Å; N200-W203 PolarHBondContact O-N 3.1Å; F201-W203 VanDerWaalsContact C-N 3.32Å; F201-W203 PolarHBondContact O-N 2.82Å; W203-F205 VanDerWaalsContact C-N 3.27Å; W203-F205 PolarHBondContact O-N 3.38Å; W203-V206 HydrophobicContact CE3-CB 4.22Å; W203-V206 HydrophobicContact CE3-CG1 4.01Å; W203-V206 HydrophobicContact CZ3-CG1 3.84Å; W203-V206 PolarHBondContact O-N 3.4Å; W203-E207 WeakPolarHBondContact O-CB 3.29Å; W203-E207 PolarHBondContact O-N 3.45Å; W203-L230 HydrophobicContact CH2-CG 4.39Å; W203-G233 PolarHBondContact NE1-O 2.53Å; W203-W234 AromaticContact CE2-CD1 3.91Å; W203-W234 AromaticContact CE2-NE1 3.61Å; W203-W234 AromaticContact CZ2-CD1 3.43Å; W203-W234 VanDerWaalsContact CZ2-CD1 3.43Å; W203-W234 HydrophobicContact CZ2-CG 4.31Å; W203-W234 AromaticContact CZ2-NE1 3.25Å; W203-W234 VanDerWaalsContact CZ2-NE1 3.25Å; W203-W234 AromaticContact NE1-CD1 3.77Å; W203-W234 AromaticContact NE1-CD2 3.71Å; W203-W234 AromaticContact NE1-CE2 3.48Å; W203-W234 AromaticContact NE1-CG 3.88Å; W203-W234 AromaticContact NE1-NE1 3.52Å
204M87.4Confident89.7Confident11 Ų1118.3 Ų18.35%0.05410%0.096CC..Hα-helixtrans-61.4-38.5170.3-73.3-173.7-71.500111.2L157 F161 N200 F201 G208 L321 Q353L157-M204 HydrophobicContact CD1-CG 3.73Å; F161-M204 HydrophobicContact CZ-CG 4.35Å; F161-M204 HydrophobicContact CZ-SD 3.97Å; N200-M204 WeakPolarHBondContact O-CG 3.36Å; N200-M204 PolarHBondContact O-N 3.26Å; N200-M204 WeakPolarHBondContact OD1-CE 3.36Å; F201-M204 HydrophobicContact CB-CE 4.36Å; F201-M204 HydrophobicContact CD1-CE 3.25Å; F201-M204 HydrophobicContact CE1-CE 3.62Å; F201-M204 HydrophobicContact CG-CE 3.96Å; F201-M204 PolarHBondContact O-N 3.5Å; M204-G208 PolarHBondContact O-N 2.97Å; M204-L321 HydrophobicContact SD-CB 3.74Å; M204-Q353 PolarHBondContact SD-NE2 2.85Å; M204-Q353 VanDerWaalsContact SD-NE2 3.41Å
205F89.6Confident89.3Confident35 Ų3519.8 Ų19.815%0.15410%0.103CC..Hα-helixtrans-68.6-42.6174.1165-99000113.7F201 F202 W203 E207 G208 C209 I232 V277 I280 F284F201-F205 PolarHBondContact O-N 3.46Å; F202-F205 WeakPolarHBondContact O-CB 3.33Å; F202-F205 PolarHBondContact O-N 3.25Å; W203-F205 VanDerWaalsContact C-N 3.27Å; W203-F205 PolarHBondContact O-N 3.38Å; F205-E207 VanDerWaalsContact C-N 3.25Å; F205-E207 PolarHBondContact O-N 3.44Å; F205-G208 PolarHBondContact O-N 3.05Å; F205-C209 VanDerWaalsContact O-CB 3.26Å; F205-C209 WeakPolarHBondContact O-CB 3.35Å; F205-C209 PolarHBondContact O-N 3.45Å; F205-I232 HydrophobicContact CD1-CG2 4.36Å; F205-I232 HydrophobicContact CE1-CG2 4.26Å; F205-V277 HydrophobicContact CB-CG1 3.24Å; F205-V277 HydrophobicContact CD1-CG1 4.45Å; F205-V277 HydrophobicContact CD2-CG1 4.03Å; F205-V277 HydrophobicContact CG-CG1 3.67Å; F205-I280 HydrophobicContact CD2-CG2 4.33Å; F205-I280 HydrophobicContact CE2-CB 4.18Å; F205-I280 HydrophobicContact CE2-CG2 3.67Å; F205-F284 HydrophobicContact CD2-CE2 4.14Å; F205-F284 AromaticContact CE2-CE2 3.65Å; F205-F284 HydrophobicContact CE2-CE2 3.65Å; F205-F284 HydrophobicContact CE2-CZ 4.3Å; F205-F284 HydrophobicContact CZ-CE2 4.47Å
206V91.1Very high88.9Confident1 Ų121.1 Ų21.11%0.00612%0.116CC..Hα-helixtrans-57.5-43.3175164.40000110.5I153 F202 W203 Y210 F229 I232I153-V206 HydrophobicContact CG1-CG1 4.48Å; I153-V206 HydrophobicContact CG2-CG1 4.16Å; F202-V206 WeakPolarHBondContact O-CG2 3.42Å; F202-V206 PolarHBondContact O-N 3.31Å; W203-V206 HydrophobicContact CE3-CB 4.22Å; W203-V206 HydrophobicContact CE3-CG1 4.01Å; W203-V206 HydrophobicContact CZ3-CG1 3.84Å; W203-V206 PolarHBondContact O-N 3.4Å; V206-Y210 VanDerWaalsContact O-CB 3.28Å; V206-Y210 WeakPolarHBondContact O-CB 3.32Å; V206-Y210 PolarHBondContact O-N 3.05Å; V206-F229 HydrophobicContact CG1-CB 3.87Å; V206-F229 HydrophobicContact CG1-CD1 3.81Å; V206-F229 HydrophobicContact CG1-CG 4.17Å; V206-I232 HydrophobicContact CG2-CB 4.02Å; V206-I232 HydrophobicContact CG2-CG2 3.56Å
207E88.1Confident88.2Confident13 Ų1324.6 Ų24.66%0.06113%0.134CC..Hα-helixtrans-63.2-47.6175.1-176.3177-118.900112.3I153 H154 L157 W203 F205 C209 Y210 L211 Y361I153-E207 HydrophobicContact CG2-CB 4.03Å; I153-E207 HydrophobicContact CG2-CG 4.44Å; H154-E207 IonicContact CE1-OE1 3.6Å; H154-E207 PolarHBondContact CE1-OE1 2.9Å; H154-E207 IonicContact CG-OE1 3.37Å; H154-E207 IonicContact ND1-OE1 3.86Å; H154-E207 PolarHBondContact ND1-OE1 3.08Å; L157-E207 HydrophobicContact CD2-CB 4.49Å; L157-E207 WeakPolarHBondContact CD2-OE1 3.35Å; L157-E207 WeakPolarHBondContact CD2-OE2 3.16Å; W203-E207 WeakPolarHBondContact O-CB 3.29Å; W203-E207 PolarHBondContact O-N 3.45Å; F205-E207 VanDerWaalsContact C-N 3.25Å; F205-E207 PolarHBondContact O-N 3.44Å; E207-C209 PolarHBondContact O-N 3.42Å; E207-Y210 PolarHBondContact O-N 3.17Å; E207-L211 WeakPolarHBondContact O-CB 3.28Å; E207-L211 PolarHBondContact O-N 3.42Å; E207-Y361 VanDerWaalsContact CD-CZ 3.44Å; E207-Y361 PolarHBondContact OE1-OH 2.94Å; E207-Y361 PolarHBondContact OE2-OH 3.11Å
208G87.1Confident87.3Confident9 Ų929 Ų299%0.09316%0.161CC..Hα-helixtrans-60.4-44.8177.100000112.9M204 F205 L211 H212M204-G208 PolarHBondContact O-N 2.97Å; F205-G208 PolarHBondContact O-N 3.05Å; G208-L211 PolarHBondContact O-N 2.92Å; G208-H212 WeakPolarHBondContact O-CB 3.44Å; G208-H212 PolarHBondContact O-N 3.24Å
209C88.3Confident86.1Confident31 Ų3138.3 Ų38.321%0.20920%0.197CC..Hα-helixtrans-62.8-44176.4-177.50000111.8F205 E207 T213 F284F205-C209 VanDerWaalsContact O-CB 3.26Å; F205-C209 WeakPolarHBondContact O-CB 3.35Å; F205-C209 PolarHBondContact O-N 3.45Å; E207-C209 PolarHBondContact O-N 3.42Å; C209-T213 VanDerWaalsContact O-CB 3.32Å; C209-T213 WeakPolarHBondContact O-CB 3.43Å; C209-T213 PolarHBondContact O-N 3.38Å; C209-T213 PolarHBondContact O-OG1 3.4Å; C209-F284 HydrophobicContact CB-CD2 4.47Å; C209-F284 HydrophobicContact CB-CE2 3.82Å
210Y87.7Confident84.8Confident34 Ų3440.3 Ų40.313%0.13321%0.211CC..Hα-helixtrans-61.3-48.2175.9172.8-102.5000111.6L149 R150 I153 V206 E207 T213 A214 F229L149-Y210 HydrophobicContact CD2-CD2 4.38Å; L149-Y210 HydrophobicContact CD2-CE2 3.76Å; L149-Y210 HydrophobicContact CG-CE2 4.05Å; R150-Y210 HydrophobicContact CB-CE1 3.73Å; R150-Y210 HydrophobicContact CG-CE1 3.98Å; I153-Y210 HydrophobicContact CD1-CD1 3.91Å; I153-Y210 HydrophobicContact CD1-CD2 3.63Å; I153-Y210 HydrophobicContact CD1-CE1 4.48Å; I153-Y210 HydrophobicContact CD1-CE2 4.25Å; I153-Y210 HydrophobicContact CD1-CG 3.45Å; I153-Y210 VanDerWaalsContact CD1-CG 3.45Å; V206-Y210 VanDerWaalsContact O-CB 3.28Å; V206-Y210 WeakPolarHBondContact O-CB 3.32Å; V206-Y210 PolarHBondContact O-N 3.05Å; E207-Y210 PolarHBondContact O-N 3.17Å; Y210-T213 PolarHBondContact O-N 3Å; Y210-A214 WeakPolarHBondContact O-CB 3.36Å; Y210-A214 PolarHBondContact O-N 3.19Å; Y210-F229 HydrophobicContact CD2-CZ 4.44Å
211L85.1Confident83.7Confident57 Ų5741.4 Ų41.430%0.29822%0.218SC..Hα-helixtrans-63.5-44.9179.9-176.662.4000111.7E207 G208 T213 A214 I215 I288 L318E207-L211 WeakPolarHBondContact O-CB 3.28Å; E207-L211 PolarHBondContact O-N 3.42Å; G208-L211 PolarHBondContact O-N 2.92Å; L211-T213 VanDerWaalsContact C-N 3.35Å; L211-T213 PolarHBondContact O-N 3.32Å; L211-A214 PolarHBondContact O-N 3Å; L211-I215 HydrophobicContact CD1-CD1 3.9Å; L211-I215 HydrophobicContact CD1-CG1 4.39Å; L211-I215 HydrophobicContact CG-CD1 3.97Å; L211-I215 WeakPolarHBondContact O-CG1 3.41Å; L211-I215 PolarHBondContact O-N 3.38Å; L211-I288 HydrophobicContact CB-CD1 4.23Å; L211-I288 HydrophobicContact CD2-CD1 3.98Å; L211-I288 HydrophobicContact CD2-CG2 4.47Å; L211-I288 HydrophobicContact CG-CD1 3.96Å; L211-L318 HydrophobicContact CD2-CD2 4.27Å
212H85.3Confident82.6Confident36 Ų3648.3 Ų48.317%0.16726%0.255CS..Hα-helixtrans-58.2-48.3175.8179.2-94.1000111.1G208 A214 I215 V216 F284 I288G208-H212 WeakPolarHBondContact O-CB 3.44Å; G208-H212 PolarHBondContact O-N 3.24Å; H212-A214 PolarHBondContact O-N 3.04Å; H212-I215 PolarHBondContact O-N 3.17Å; H212-V216 WeakPolarHBondContact O-CB 3.3Å; H212-V216 WeakPolarHBondContact O-CG2 3.3Å; H212-V216 PolarHBondContact O-N 2.85Å; H212-F284 HydrophobicContact CB-CB 4.33Å; H212-F284 HydrophobicContact CB-CD1 4.32Å; H212-F284 HydrophobicContact CB-CG 4.24Å; H212-F284 AromaticContact CG-CD1 3.96Å; H212-I288 HydrophobicContact CB-CD1 4.04Å; H212-I288 HydrophobicContact CB-CG1 4.19Å
213T86.3Confident81.5Confident21 Ų2155.6 Ų55.613%0.12929%0.286CS..Hα-helixtrans-64-41.8179.6-56.80000111.9C209 Y210 L211 I215 V216 M217 L224C209-T213 VanDerWaalsContact O-CB 3.32Å; C209-T213 WeakPolarHBondContact O-CB 3.43Å; C209-T213 PolarHBondContact O-N 3.38Å; C209-T213 PolarHBondContact O-OG1 3.4Å; Y210-T213 PolarHBondContact O-N 3Å; L211-T213 VanDerWaalsContact C-N 3.35Å; L211-T213 PolarHBondContact O-N 3.32Å; T213-I215 VanDerWaalsContact C-N 3.31Å; T213-I215 PolarHBondContact O-N 3.44Å; T213-V216 PolarHBondContact O-N 3.14Å; T213-M217 HydrophobicContact CG2-CB 4.48Å; T213-M217 HydrophobicContact CG2-CE 3.86Å; T213-M217 CarbonylContact O-C 3.57Å; T213-M217 WeakPolarHBondContact O-CA 3.19Å; T213-M217 PolarHBondContact O-N 3.37Å; T213-L224 HydrophobicContact CG2-CD1 3.94Å
214A84.9Confident80.7Confident26 Ų2658.3 Ų58.322%0.21530%0.301CS..Hα-helixtrans-64.2-34.9178.100000112.9Y210 L211 H212 T218 T221Y210-A214 WeakPolarHBondContact O-CB 3.36Å; Y210-A214 PolarHBondContact O-N 3.19Å; L211-A214 PolarHBondContact O-N 3Å; H212-A214 PolarHBondContact O-N 3.04Å; A214-T218 VanDerWaalsContact O-CG2 3.26Å; A214-T218 WeakPolarHBondContact O-CG2 3.31Å; A214-T221 HydrophobicContact CB-CG2 3.93Å
215I82.9Confident80.5Confident45 Ų4567.5 Ų67.523%0.23134%0.335CS..Hα-helixtrans-77.7-40.6179.3-70171.9000111.8L211 H212 T213 I288 I291L211-I215 HydrophobicContact CD1-CD1 3.9Å; L211-I215 HydrophobicContact CD1-CG1 4.39Å; L211-I215 HydrophobicContact CG-CD1 3.97Å; L211-I215 WeakPolarHBondContact O-CG1 3.41Å; L211-I215 PolarHBondContact O-N 3.38Å; H212-I215 PolarHBondContact O-N 3.17Å; T213-I215 VanDerWaalsContact C-N 3.31Å; T213-I215 PolarHBondContact O-N 3.44Å; I215-I288 HydrophobicContact CD1-CB 4.5Å; I215-I288 HydrophobicContact CD1-CG1 4.26Å; I215-I288 HydrophobicContact CD1-CG2 3.72Å; I215-I291 HydrophobicContact CG2-CB 4.1Å; I215-I291 HydrophobicContact CG2-CD1 4.21Å; I215-I291 HydrophobicContact CG2-CG2 3.55Å
216V85.3Confident80.2Confident74 Ų7471.4 Ų71.445%0.44835%0.352SS..Hα-helixtrans-81.4-44.6-177.1176.30000111.8H212 T213 I291H212-V216 WeakPolarHBondContact O-CB 3.3Å; H212-V216 WeakPolarHBondContact O-CG2 3.3Å; H212-V216 PolarHBondContact O-N 2.85Å; T213-V216 PolarHBondContact O-N 3.14Å; V216-I291 HydrophobicContact CG2-CD1 3.58Å
217M78.9Confident80Confident98 Ų9880.6 Ų80.648%0.48339%0.386SS..  trans-118.960.6-172.3-61.7-160.7-73.200111.3T213 Y219 S220T213-M217 HydrophobicContact CG2-CB 4.48Å; T213-M217 HydrophobicContact CG2-CE 3.86Å; T213-M217 CarbonylContact O-C 3.57Å; T213-M217 WeakPolarHBondContact O-CA 3.19Å; T213-M217 PolarHBondContact O-N 3.37Å; M217-Y219 PolarHBondContact O-N 3.45Å; M217-S220 PolarHBondContact O-N 2.99Å
218T70.9Confident80.1Confident100 Ų10083.7 Ų83.761%0.61341%0.406SS*.THydrogen-bonded Turntrans-51.6-20.7-175.245.50000115.5A214A214-T218 VanDerWaalsContact O-CG2 3.26Å; A214-T218 WeakPolarHBondContact O-CG2 3.31Å
219Y66.1Low80.2Confident197 Ų19784 Ų8477%0.77341%0.405SS*.THydrogen-bonded Turntrans-98.8-13.5178.7-168.5-103.1000114.2M217M217-Y219 PolarHBondContact O-N 3.45Å
220S67.9Low80.3Confident42 Ų4284.8 Ų84.829%0.29441%0.407SS..THydrogen-bonded Turntrans-94.8-10.6-173.9-166.70000114M217 D222 K223M217-S220 PolarHBondContact O-N 2.99Å; S220-D222 VanDerWaalsContact C-N 3.27Å; S220-D222 PolarHBondContact O-N 3.48Å; S220-K223 PolarHBondContact O-N 3.43Å
221T69.3Low80.5Confident23 Ų2389.1 Ų89.114%0.14143%0.427CS..G310 helixtrans-65.5-28.8-17647.40000113.5A214 K223 L224A214-T221 HydrophobicContact CB-CG2 3.93Å; T221-K223 PolarHBondContact O-N 2.99Å; T221-L224 HydrophobicContact CG2-CD1 4.5Å; T221-L224 WeakPolarHBondContact O-CB 3.47Å; T221-L224 PolarHBondContact O-N 3.3Å
222D67.1Low80.9Confident148 Ų14888.3 Ų88.379%0.79142%0.422SS*.G310 helixtrans-72.4-20.8-179.4-64.2-26.1000112.8S220S220-D222 VanDerWaalsContact C-N 3.27Å; S220-D222 PolarHBondContact O-N 3.48Å
223K69.7Low81.3Confident165 Ų16586.6 Ų86.672%0.71741%0.414SS*.G310 helixtrans-83.9-11.5175.6-62.2-173.1-179.8-179.20112.8S220 T221 R225S220-K223 PolarHBondContact O-N 3.43Å; T221-K223 PolarHBondContact O-N 2.99Å; K223-R225 PolarHBondContact O-N 3.5Å
224L75.8Confident81.6Confident59 Ų5988.2 Ų88.231%0.30942%0.418SS..SBendtrans-77.4119.5-176.7-62.7173.6000110.7T213 T221 K226 F229T213-L224 HydrophobicContact CG2-CD1 3.94Å; T221-L224 HydrophobicContact CG2-CD1 4.5Å; T221-L224 WeakPolarHBondContact O-CB 3.47Å; T221-L224 PolarHBondContact O-N 3.3Å; L224-K226 PolarHBondContact O-N 2.99Å; L224-F229 HydrophobicContact CB-CE2 4.01Å; L224-F229 HydrophobicContact CB-CZ 4.49Å; L224-F229 HydrophobicContact CD1-CE2 4.27Å; L224-F229 HydrophobicContact CD1-CZ 4.02Å
225R83.1Confident82Confident203 Ų20389.7 Ų89.777%0.76643%0.426SS*.  trans-73117178.5-66.9-179.3-178.5-178.70.8109.9K223 W227 V228K223-R225 PolarHBondContact O-N 3.5Å; R225-W227 PolarHBondContact O-N 3.38Å; R225-V228 HydrophobicContact CB-CG2 4.15Å; R225-V228 WeakPolarHBondContact O-CB 3.49Å; R225-V228 PolarHBondContact O-N 3.47Å
226K83.4Confident82.5Confident118 Ų11890.3 Ų90.351%0.51343%0.429SS..Hα-helixtrans-47.2-36.5176.164.3-176.4176.9-179.70114.2L149 L224 V228 F229 L230L149-K226 HydrophobicContact CD1-CB 3.71Å; L224-K226 PolarHBondContact O-N 2.99Å; K226-V228 VanDerWaalsContact C-N 3.26Å; K226-V228 PolarHBondContact O-N 3.39Å; K226-F229 PolarHBondContact O-N 3.46Å; K226-L230 WeakPolarHBondContact O-CD1 3.26Å; K226-L230 PolarHBondContact O-N 3Å
227W86.8Confident83Confident193 Ų19386.8 Ų86.873%0.73141%0.408SS*.Hα-helixtrans-59.6-31.6179.5-88.4110.6000113.8R225 L230 F231R225-W227 PolarHBondContact O-N 3.38Å; W227-L230 PolarHBondContact O-N 3.3Å; W227-F231 WeakPolarHBondContact O-CB 3.39Å; W227-F231 PolarHBondContact O-N 3.28Å
228V90.1Very high83.7Confident79 Ų7984.3 Ų84.348%0.47940%0.4SS..Hα-helixtrans-64.5-44.6179.1176.30000110.5R225 K226 L230 F231 I232R225-V228 HydrophobicContact CB-CG2 4.15Å; R225-V228 WeakPolarHBondContact O-CB 3.49Å; R225-V228 PolarHBondContact O-N 3.47Å; K226-V228 VanDerWaalsContact C-N 3.26Å; K226-V228 PolarHBondContact O-N 3.39Å; V228-L230 PolarHBondContact O-N 3.01Å; V228-F231 PolarHBondContact O-N 3.23Å; V228-I232 HydrophobicContact CG1-CD1 3.91Å; V228-I232 VanDerWaalsContact O-CG1 3.31Å; V228-I232 WeakPolarHBondContact O-CG1 3.31Å; V228-I232 PolarHBondContact O-N 3.5Å
229F89.9Confident84.8Confident15 Ų1583.2 Ų83.27%0.06639%0.394CS..Hα-helixtrans-65.9-38.6177.9-65.8-62.6000112.7L149 I153 V206 Y210 L224 K226 F231 I232 G233L149-F229 HydrophobicContact CD1-CD2 4.49Å; L149-F229 HydrophobicContact CD2-CE2 4.46Å; I153-F229 HydrophobicContact CD1-CD2 4.49Å; V206-F229 HydrophobicContact CG1-CB 3.87Å; V206-F229 HydrophobicContact CG1-CD1 3.81Å; V206-F229 HydrophobicContact CG1-CG 4.17Å; Y210-F229 HydrophobicContact CD2-CZ 4.44Å; L224-F229 HydrophobicContact CB-CE2 4.01Å; L224-F229 HydrophobicContact CB-CZ 4.49Å; L224-F229 HydrophobicContact CD1-CE2 4.27Å; L224-F229 HydrophobicContact CD1-CZ 4.02Å; K226-F229 PolarHBondContact O-N 3.46Å; F229-F231 VanDerWaalsContact C-N 3.33Å; F229-I232 PolarHBondContact O-N 3.25Å; F229-G233 PolarHBondContact O-N 3.46Å
230L90.2Very high86.1Confident47 Ų4775.1 Ų75.125%0.24636%0.364CS..Hα-helixtrans-63.9-40.6175.2-86.379.4000111.5I152 W203 K226 W227 V228 G233 W234I152-L230 HydrophobicContact CG2-CD1 4.26Å; W203-L230 HydrophobicContact CH2-CG 4.39Å; K226-L230 WeakPolarHBondContact O-CD1 3.26Å; K226-L230 PolarHBondContact O-N 3Å; W227-L230 PolarHBondContact O-N 3.3Å; V228-L230 PolarHBondContact O-N 3.01Å; L230-G233 PolarHBondContact O-N 2.91Å; L230-W234 PolarHBondContact O-N 3.35Å
231F92.6Very high87.3Confident125 Ų12573.3 Ų73.355%0.54835%0.351SS..Hα-helixtrans-64.4-45.3176.8-176.9-95.8000111.7W227 V228 F229 G233 C235 I236W227-F231 WeakPolarHBondContact O-CB 3.39Å; W227-F231 PolarHBondContact O-N 3.28Å; V228-F231 PolarHBondContact O-N 3.23Å; F229-F231 VanDerWaalsContact C-N 3.33Å; F231-G233 VanDerWaalsContact C-N 3.34Å; F231-G233 PolarHBondContact O-N 3.03Å; F231-C235 HydrophobicContact CD2-CB 3.55Å; F231-C235 VanDerWaalsContact CD2-SG 3.55Å; F231-C235 HydrophobicContact CE2-CB 3.56Å; F231-C235 HydrophobicContact CG-CB 4.08Å; F231-C235 HydrophobicContact CZ-CB 4.1Å; F231-C235 WeakPolarHBondContact O-CA 3.16Å; F231-C235 VanDerWaalsContact O-CB 3.22Å; F231-C235 WeakPolarHBondContact O-CB 3.43Å; F231-C235 PolarHBondContact O-N 2.93Å; F231-I236 HydrophobicContact CE1-CG1 4.46Å; F231-I236 PolarHBondContact O-N 2.9Å
232I92.9Very high88.4Confident40 Ų4076.9 Ų76.921%0.20537%0.368CS..Hα-helixtrans-60.9-45.1177.5-67.3166.5000111F202 F205 V206 V228 F229 I236F202-I232 HydrophobicContact CD1-CG2 4.49Å; F205-I232 HydrophobicContact CD1-CG2 4.36Å; F205-I232 HydrophobicContact CE1-CG2 4.26Å; V206-I232 HydrophobicContact CG2-CB 4.02Å; V206-I232 HydrophobicContact CG2-CG2 3.56Å; V228-I232 HydrophobicContact CG1-CD1 3.91Å; V228-I232 VanDerWaalsContact O-CG1 3.31Å; V228-I232 WeakPolarHBondContact O-CG1 3.31Å; V228-I232 PolarHBondContact O-N 3.5Å; F229-I232 PolarHBondContact O-N 3.25Å; I232-I236 HydrophobicContact CB-CD1 4.15Å; I232-I236 HydrophobicContact CG1-CD1 4.07Å; I232-I236 HydrophobicContact CG2-CD1 4.08Å
233G92.3Very high89.6Confident0 Ų072.1 Ų72.10%035%0.35CS..Hα-helixtrans-70.6-41.7-175.900000114.1W203 F229 L230 F231 P237W203-G233 PolarHBondContact NE1-O 2.53Å; F229-G233 PolarHBondContact O-N 3.46Å; L230-G233 PolarHBondContact O-N 2.91Å; F231-G233 VanDerWaalsContact C-N 3.34Å; F231-G233 PolarHBondContact O-N 3.03Å; G233-P237 WeakPolarHBondContact O-CG 3.47Å
234W94.3Very high90.6Very high56 Ų5664.5 Ų64.521%0.21232%0.316CS..Hα-helixtrans-103.4-37.1-173.5-68.8111.8000114.3N156 T160 L163 Y195 F196 T199 W203 L230 C238N156-W234 PolarHBondContact OD1-NE1 2.98Å; T160-W234 HydrophobicContact CG2-CH2 3.88Å; T160-W234 HydrophobicContact CG2-CZ2 4.14Å; T160-W234 HydrophobicContact CG2-CZ3 4.43Å; L163-W234 HydrophobicContact CD1-CH2 3.98Å; L163-W234 HydrophobicContact CD1-CZ3 4.49Å; Y195-W234 PolarHBondContact OH-O 3.27Å; F196-W234 HydrophobicContact CE1-CZ3 4.39Å; T199-W234 HydrophobicContact CG2-CD2 4.31Å; T199-W234 HydrophobicContact CG2-CE3 3.6Å; T199-W234 HydrophobicContact CG2-CH2 4.39Å; T199-W234 HydrophobicContact CG2-CZ3 3.66Å; W203-W234 AromaticContact CE2-CD1 3.91Å; W203-W234 AromaticContact CE2-NE1 3.61Å; W203-W234 AromaticContact CZ2-CD1 3.43Å; W203-W234 VanDerWaalsContact CZ2-CD1 3.43Å; W203-W234 HydrophobicContact CZ2-CG 4.31Å; W203-W234 AromaticContact CZ2-NE1 3.25Å; W203-W234 VanDerWaalsContact CZ2-NE1 3.25Å; W203-W234 AromaticContact NE1-CD1 3.77Å; W203-W234 AromaticContact NE1-CD2 3.71Å; W203-W234 AromaticContact NE1-CE2 3.48Å; W203-W234 AromaticContact NE1-CG 3.88Å; W203-W234 AromaticContact NE1-NE1 3.52Å; L230-W234 PolarHBondContact O-N 3.35Å; W234-C238 PolarHBondContact O-SG 2.78Å
235C93.3Very high91.2Very high57 Ų5762.3 Ų62.339%0.38531%0.307SS..THydrogen-bonded Turntrans-88.3-32.3-169.8-57.40000113.2F231 P239F231-C235 HydrophobicContact CD2-CB 3.55Å; F231-C235 VanDerWaalsContact CD2-SG 3.55Å; F231-C235 HydrophobicContact CE2-CB 3.56Å; F231-C235 HydrophobicContact CG-CB 4.08Å; F231-C235 HydrophobicContact CZ-CB 4.1Å; F231-C235 WeakPolarHBondContact O-CA 3.16Å; F231-C235 VanDerWaalsContact O-CB 3.22Å; F231-C235 WeakPolarHBondContact O-CB 3.43Å; F231-C235 PolarHBondContact O-N 2.93Å; C235-P239 WeakPolarHBondContact O-CD 3.48Å
236I93.4Very high91.5Very high58 Ų5857.6 Ų57.630%0.29730%0.296SS..THydrogen-bonded Turntrans-68.9-38.5179.3-59.7-179.6000113.2F202 F231 I232 C238 P239 I240F202-I236 HydrophobicContact CD1-CB 4.31Å; F202-I236 HydrophobicContact CD1-CG2 4.22Å; F202-I236 HydrophobicContact CE1-CB 4.01Å; F202-I236 HydrophobicContact CE1-CG2 3.43Å; F202-I236 VanDerWaalsContact CE1-CG2 3.43Å; F202-I236 HydrophobicContact CZ-CG2 3.73Å; F231-I236 HydrophobicContact CE1-CG1 4.46Å; F231-I236 PolarHBondContact O-N 2.9Å; I232-I236 HydrophobicContact CB-CD1 4.15Å; I232-I236 HydrophobicContact CG1-CD1 4.07Å; I232-I236 HydrophobicContact CG2-CD1 4.08Å; I236-C238 VanDerWaalsContact C-N 3.31Å; I236-C238 PolarHBondContact O-N 3.15Å; I236-P239 WeakPolarHBondContact O-CD 3.43Å; I236-P239 VanDerWaalsContact O-CG 3.3Å; I236-P239 WeakPolarHBondContact O-CG 3.5Å; I236-I240 HydrophobicContact CG2-CD1 4.15Å
237P94.8Very high91.6Very high0 Ų052.5 Ų52.50%028%0.276CS..Hα-helixtrans-61.8-32.3175.4-27.636.4000114.8Y195 V198 T199 F202 G233 I240 I241Y195-P237 HydrophobicContact CD2-CB 4.19Å; Y195-P237 HydrophobicContact CE2-CB 3.91Å; V198-P237 HydrophobicContact CB-CB 4.43Å; V198-P237 HydrophobicContact CG1-CB 3.89Å; V198-P237 HydrophobicContact CG1-CG 4.39Å; T199-P237 WeakPolarHBondContact OG1-CB 3.38Å; F202-P237 HydrophobicContact CB-CG 3.99Å; F202-P237 HydrophobicContact CD2-CG 3.82Å; F202-P237 HydrophobicContact CE2-CG 4.45Å; F202-P237 HydrophobicContact CG-CG 3.86Å; G233-P237 WeakPolarHBondContact O-CG 3.47Å; P237-I240 PolarHBondContact O-N 2.98Å; P237-I241 PolarHBondContact O-N 3.47Å; P237-I241 VanDerWaalsContact O-N 3.14Å
238C93.9Very high91.5Very high46 Ų4643.9 Ų43.931%0.31124%0.244SC..Hα-helixtrans-54.8-59.3-178.3-71.70000113.6Y195 W234 I236 I240 I241 I242Y195-C238 HydrophobicContact CE2-CB 4.35Å; Y195-C238 WeakPolarHBondContact CE2-SG 3.09Å; W234-C238 PolarHBondContact O-SG 2.78Å; I236-C238 VanDerWaalsContact C-N 3.31Å; I236-C238 PolarHBondContact O-N 3.15Å; C238-I240 VanDerWaalsContact C-N 3.28Å; C238-I240 PolarHBondContact O-N 3.4Å; C238-I241 PolarHBondContact O-N 3.24Å; C238-I242 VanDerWaalsContact O-CG1 3.27Å; C238-I242 WeakPolarHBondContact O-CG1 2.97Å; C238-I242 PolarHBondContact O-N 3Å
239P94.3Very high91.2Very high76 Ų7644.2 Ų44.249%0.49424%0.243SC..Hα-helixtrans-63.1-32.7-178.224.9-35.5000112.9C235 I236 I242 A243C235-P239 WeakPolarHBondContact O-CD 3.48Å; I236-P239 WeakPolarHBondContact O-CD 3.43Å; I236-P239 VanDerWaalsContact O-CG 3.3Å; I236-P239 WeakPolarHBondContact O-CG 3.5Å; P239-I242 PolarHBondContact O-N 3.32Å; P239-A243 WeakPolarHBondContact O-CB 3.21Å; P239-A243 PolarHBondContact O-N 2.92Å
240I93.8Very high90.8Very high27 Ų2752.9 Ų52.914%0.13828%0.276CS..Hα-helixtrans-61.8-46.6177.6-61.9170.5000110.2F202 I236 P237 C238 W244 P273F202-I240 HydrophobicContact CE2-CD1 3.93Å; F202-I240 HydrophobicContact CZ-CD1 3.73Å; I236-I240 HydrophobicContact CG2-CD1 4.15Å; P237-I240 PolarHBondContact O-N 2.98Å; C238-I240 VanDerWaalsContact C-N 3.28Å; C238-I240 PolarHBondContact O-N 3.4Å; I240-W244 PolarHBondContact O-N 2.87Å; I240-W244 VanDerWaalsContact O-N 3.1Å; I240-P273 HydrophobicContact CD1-CB 3.91Å; I240-P273 HydrophobicContact CD1-CG 4.28Å; I240-P273 HydrophobicContact CG2-CG 4.24Å
241I93.4Very high90.1Very high5 Ų558.4 Ų58.43%0.02630%0.295CS..Hα-helixtrans-74.9-35.6-178.9-67.4-69.7000112.1T191 N194 V198 P237 C238 A243 W244 A245 Y270T191-I241 HydrophobicContact CG2-CG2 3.71Å; N194-I241 HydrophobicContact CB-CD1 3.97Å; V198-I241 HydrophobicContact CB-CD1 4.41Å; V198-I241 HydrophobicContact CB-CG1 4.46Å; V198-I241 HydrophobicContact CG2-CD1 3.74Å; V198-I241 HydrophobicContact CG2-CG1 4.29Å; P237-I241 PolarHBondContact O-N 3.47Å; P237-I241 VanDerWaalsContact O-N 3.14Å; C238-I241 PolarHBondContact O-N 3.24Å; I241-A243 VanDerWaalsContact C-N 3.33Å; I241-W244 PolarHBondContact O-N 3.21Å; I241-A245 WeakPolarHBondContact O-CB 3.25Å; I241-A245 PolarHBondContact O-N 2.95Å; I241-Y270 HydrophobicContact CD1-CG 4.39Å
242I91.9Very high88.9Confident98 Ų9854.6 Ų54.650%0.50328%0.279SS..Hα-helixtrans-61.1-45.2173.9-69.2165.7000110C238 P239 W244 A245 I246C238-I242 VanDerWaalsContact O-CG1 3.27Å; C238-I242 WeakPolarHBondContact O-CG1 2.97Å; C238-I242 PolarHBondContact O-N 3Å; P239-I242 PolarHBondContact O-N 3.32Å; I242-W244 VanDerWaalsContact C-N 3.35Å; I242-W244 PolarHBondContact O-N 3.48Å; I242-A245 PolarHBondContact O-N 3.34Å; I242-I246 HydrophobicContact CG2-CD1 3.78Å; I242-I246 HydrophobicContact CG2-CG1 4.45Å; I242-I246 VanDerWaalsContact O-CG1 3.27Å; I242-I246 WeakPolarHBondContact O-CG1 3.39Å; I242-I246 PolarHBondContact O-N 3.02Å
243A91.9Very high87.8Confident48 Ų4857 Ų5740%0.39729%0.292SS..Hα-helixtrans-60.7-43.3176.200000112.1P239 I241 G247 I269P239-A243 WeakPolarHBondContact O-CB 3.21Å; P239-A243 PolarHBondContact O-N 2.92Å; I241-A243 VanDerWaalsContact C-N 3.33Å; A243-G247 PolarHBondContact O-N 3.4Å; A243-I269 HydrophobicContact CB-CG2 4.29Å
244W90.5Very high86.4Confident4 Ų465.5 Ų65.52%0.01533%0.332CS..Hα-helixtrans-63-44.7174.7171.378.9000112.6T190 N194 I240 I241 I242 I246 G247 K248 W257 D267 I269 Y270T190-W244 HydrophobicContact CG2-CH2 4.48Å; N194-W244 HydrophobicContact CB-CZ3 4.5Å; N194-W244 WeakPolarHBondContact ND2-CH2 3.41Å; I240-W244 PolarHBondContact O-N 2.87Å; I240-W244 VanDerWaalsContact O-N 3.1Å; I241-W244 PolarHBondContact O-N 3.21Å; I242-W244 VanDerWaalsContact C-N 3.35Å; I242-W244 PolarHBondContact O-N 3.48Å; W244-I246 PolarHBondContact O-N 2.94Å; W244-G247 PolarHBondContact O-N 2.7Å; W244-K248 HydrophobicContact CD2-CG 4.26Å; W244-K248 HydrophobicContact CH2-CG 4.39Å; W244-K248 HydrophobicContact CZ2-CD 4.38Å; W244-K248 HydrophobicContact CZ2-CG 3.79Å; W244-K248 PolarHBondContact O-N 3.09Å; W244-W257 HydrophobicContact CH2-CB 4.41Å; W244-W257 HydrophobicContact CH2-CD2 4.49Å; W244-W257 AromaticContact CH2-CE3 3.83Å; W244-W257 HydrophobicContact CH2-CE3 3.83Å; W244-W257 AromaticContact CZ3-CE3 3.98Å; W244-W257 HydrophobicContact CZ3-CE3 3.98Å; W244-W257 HydrophobicContact CZ3-CZ3 4.24Å; W244-D267 PolarHBondContact NE1-OD1 3.35Å; W244-I269 HydrophobicContact CB-CB 4.36Å; W244-I269 HydrophobicContact CB-CG2 4.08Å; W244-Y270 HydrophobicContact CB-CD1 4.41Å; W244-Y270 AromaticContact CD1-CD1 3.46Å; W244-Y270 VanDerWaalsContact CD1-CD1 3.46Å; W244-Y270 AromaticContact CD1-CE1 3.92Å; W244-Y270 HydrophobicContact CD2-CD1 4.12Å; W244-Y270 HydrophobicContact CD2-CE1 4.47Å; W244-Y270 AromaticContact CE2-CE1 3.96Å; W244-Y270 AromaticContact CG-CD1 3.73Å; W244-Y270 HydrophobicContact CG-CD1 3.73Å; W244-Y270 HydrophobicContact CG-CE1 4.42Å; W244-Y270 AromaticContact NE1-CD1 3.6Å; W244-Y270 AromaticContact NE1-CE1 3.56Å
245A88.7Confident85.2Confident14 Ų1470 Ų7012%0.11636%0.356CS..Hα-helixtrans-64-39.9179.700000111.9T191 I241 I242 K248 L249 W257T191-A245 HydrophobicContact CG2-CB 4.08Å; I241-A245 WeakPolarHBondContact O-CB 3.25Å; I241-A245 PolarHBondContact O-N 2.95Å; I242-A245 PolarHBondContact O-N 3.34Å; A245-K248 PolarHBondContact O-N 3.4Å; A245-L249 WeakPolarHBondContact O-CG 3.38Å; A245-L249 PolarHBondContact O-N 3.44Å; A245-W257 HydrophobicContact CB-CH2 4.37Å; A245-W257 HydrophobicContact CB-CZ3 4.15Å
246I88.6Confident84.3Confident104 Ų10468 Ų6853%0.53334%0.342SS..Hα-helixtrans-62.9-44.8173.2-67.5166.3000110.5I242 W244 K248 L249 Y250I242-I246 HydrophobicContact CG2-CD1 3.78Å; I242-I246 HydrophobicContact CG2-CG1 4.45Å; I242-I246 VanDerWaalsContact O-CG1 3.27Å; I242-I246 WeakPolarHBondContact O-CG1 3.39Å; I242-I246 PolarHBondContact O-N 3.02Å; W244-I246 PolarHBondContact O-N 2.94Å; I246-K248 PolarHBondContact O-N 3.21Å; I246-L249 PolarHBondContact O-N 2.89Å; I246-Y250 PolarHBondContact O-N 3.23Å; I246-Y250 VanDerWaalsContact O-N 3.16Å
247G86.5Confident83.3Confident10 Ų1066.6 Ų66.610%0.10333%0.333CS..Hα-helixtrans-58.4-47.3175.200000112.2A243 W244 L249 Y250 Y251A243-G247 PolarHBondContact O-N 3.4Å; W244-G247 PolarHBondContact O-N 2.7Å; G247-L249 PolarHBondContact O-N 3.2Å; G247-Y250 PolarHBondContact O-N 3.01Å; G247-Y251 VanDerWaalsContact O-CD2 3.26Å; G247-Y251 WeakPolarHBondContact O-CD2 3.36Å; G247-Y251 PolarHBondContact O-N 3.33Å; G247-Y251 VanDerWaalsContact O-N 3.11Å
248K83.8Confident81.7Confident13 Ų1371 Ų716%0.05735%0.352CS..Hα-helixtrans-62.9-39.5177.3-79.6-74.3-177.7171.90112.8W244 A245 I246 Y250 E252 W257 I266 D267W244-K248 HydrophobicContact CD2-CG 4.26Å; W244-K248 HydrophobicContact CH2-CG 4.39Å; W244-K248 HydrophobicContact CZ2-CD 4.38Å; W244-K248 HydrophobicContact CZ2-CG 3.79Å; W244-K248 PolarHBondContact O-N 3.09Å; A245-K248 PolarHBondContact O-N 3.4Å; I246-K248 PolarHBondContact O-N 3.21Å; K248-Y250 VanDerWaalsContact C-N 3.28Å; K248-Y250 PolarHBondContact O-N 2.89Å; K248-E252 WeakPolarHBondContact CD-OE2 3.38Å; K248-E252 IonicContact NZ-OE2 3.85Å; K248-E252 PolarHBondContact NZ-OE2 2.88Å; K248-E252 CarbonylContact O-C 3.49Å; K248-E252 VanDerWaalsContact O-C 3.31Å; K248-E252 WeakPolarHBondContact O-CA 3.19Å; K248-E252 PolarHBondContact O-N 3.31Å; K248-E252 VanDerWaalsContact O-O 3.11Å; K248-W257 HydrophobicContact CB-CD2 3.95Å; K248-W257 HydrophobicContact CB-CE3 4.32Å; K248-W257 HydrophobicContact CB-CG 4.5Å; K248-W257 HydrophobicContact CB-CH2 4.09Å; K248-W257 HydrophobicContact CB-CZ2 3.68Å; K248-W257 HydrophobicContact CB-CZ3 4.37Å; K248-W257 HydrophobicContact CG-CD2 4.46Å; K248-I266 HydrophobicContact CD-CG2 4.07Å; K248-I266 HydrophobicContact CG-CG2 3.92Å; K248-D267 WeakPolarHBondContact CE-OD1 3.29Å; K248-D267 IonicContact NZ-OD1 3.63Å; K248-D267 PolarHBondContact NZ-OD1 3.01Å; K248-D267 IonicContact NZ-OD2 3.49Å
249L83.4Confident80Confident85 Ų8571.5 Ų71.545%0.44536%0.364SS..Hα-helixtrans-61.4-35.3175.3-75.3166.6000113.1A245 I246 G247 W257A245-L249 WeakPolarHBondContact O-CG 3.38Å; A245-L249 PolarHBondContact O-N 3.44Å; I246-L249 PolarHBondContact O-N 2.89Å; G247-L249 PolarHBondContact O-N 3.2Å; L249-W257 HydrophobicContact CB-CZ2 4.44Å; L249-W257 HydrophobicContact CD1-CH2 4.43Å; L249-W257 HydrophobicContact CD2-CH2 3.88Å; L249-W257 HydrophobicContact CD2-CZ2 3.62Å; L249-W257 HydrophobicContact CG-CH2 3.67Å; L249-W257 HydrophobicContact CG-CZ2 3.66Å
250Y82.6Confident78Confident197 Ų19773.1 Ų73.177%0.77336%0.364SS*.Hα-helixtrans-82.4-37.7-175.3-160.4-96.2000113I246 G247 K248I246-Y250 PolarHBondContact O-N 3.23Å; I246-Y250 VanDerWaalsContact O-N 3.16Å; G247-Y250 PolarHBondContact O-N 3.01Å; K248-Y250 VanDerWaalsContact C-N 3.28Å; K248-Y250 PolarHBondContact O-N 2.89Å
251Y75.3Confident76Confident163 Ų16377.8 Ų77.864%0.63939%0.385SS*.Hα-helixtrans-98.5-24.4-174.2-67.4-75.4000114.1G247 I266G247-Y251 VanDerWaalsContact O-CD2 3.26Å; G247-Y251 WeakPolarHBondContact O-CD2 3.36Å; G247-Y251 PolarHBondContact O-N 3.33Å; G247-Y251 VanDerWaalsContact O-N 3.11Å; Y251-I266 HydrophobicContact CD2-CD1 3.52Å; Y251-I266 HydrophobicContact CD2-CG1 4.3Å; Y251-I266 HydrophobicContact CE2-CD1 3.95Å; Y251-I266 HydrophobicContact CG-CD1 4.07Å
252E68.3Low73.6Confident46 Ų4683.6 Ų83.622%0.21542%0.423CS..  trans-144.177.9-172.4-59.9-167.4128.700111.9K248 W257 K264K248-E252 WeakPolarHBondContact CD-OE2 3.38Å; K248-E252 IonicContact NZ-OE2 3.85Å; K248-E252 PolarHBondContact NZ-OE2 2.88Å; K248-E252 CarbonylContact O-C 3.49Å; K248-E252 VanDerWaalsContact O-C 3.31Å; K248-E252 WeakPolarHBondContact O-CA 3.19Å; K248-E252 PolarHBondContact O-N 3.31Å; K248-E252 VanDerWaalsContact O-O 3.11Å; E252-W257 PolarHBondContact O-NE1 3.36Å; E252-K264 WeakPolarHBondContact OE1-CD 3.45Å; E252-K264 WeakPolarHBondContact OE1-CE 3.34Å; E252-K264 IonicContact OE1-NZ 2.68Å; E252-K264 PolarHBondContact OE1-NZ 3.39Å
253N68.6Low71.5Confident90 Ų9082.4 Ų82.448%0.48144%0.435SS..  trans-102.415.6-173-166.444.2000114.6R187R187-N253 VanDerWaalsContact CZ-OD1 3.25Å; R187-N253 PolarHBondContact NH1-OD1 2.88Å; R187-N253 PolarHBondContact NH2-O 3.43Å; R187-N253 PolarHBondContact NH2-OD1 2.89Å
254E62.6Low69.9Low179 Ų17984.2 Ų84.284%0.83643%0.434SS*.SBendtrans-107.2-20.4-168-64.9-102.9149.300114.4E183E183-E254 VanDerWaalsContact OE1-C 3.31Å
255Q68.9Low68.9Low151 Ų15194.3 Ų94.371%0.70647%0.473SS*.SBendtrans-140.1166.9179.7-66.4-158.2-20.100112E183E183-Q255 PolarHBondContact OE1-N 3.35Å
256C74.5Confident68.3Low13 Ų1395 Ų959%0.08848%0.475CS..  trans-60.3141.2168.5-176.20000110.6H179 C186 F258H179-C256 VanDerWaalsContact CD2-CB 3.46Å; H179-C256 WeakPolarHBondContact CD2-CB 3.34Å; H179-C256 VanDerWaalsContact NE2-CB 3.33Å; H179-C256 WeakPolarHBondContact NE2-CB 3.48Å; C186-C256 VanDerWaalsContact C-SG 3.53Å; C186-C256 HydrophobicContact CB-CB 3.72Å; C186-C256 WeakPolarHBondContact CB-SG 3.4Å; C186-C256 WeakPolarHBondContact SG-CB 3.41Å; C186-C256 CovalentContact SG-SG 2.01Å; C186-C256 PolarHBondContact SG-SG 3.39Å; C256-F258 PolarHBondContact O-N 3.3Å
257W72.1Confident67.7Low29 Ų2990.9 Ų90.911%0.1145%0.454CS..SBendtrans-73.524.9-178.9-54-27.3000114R187 T190 T191 W244 A245 K248 L249 E252R187-W257 HydrophobicContact CB-CD2 4.35Å; R187-W257 HydrophobicContact CB-CE3 4.21Å; R187-W257 HydrophobicContact CB-CH2 4.46Å; R187-W257 HydrophobicContact CB-CZ3 4.28Å; R187-W257 HydrophobicContact CG-CD2 4.11Å; R187-W257 HydrophobicContact CG-CE3 4.48Å; R187-W257 HydrophobicContact CG-CG 4.49Å; R187-W257 HydrophobicContact CG-CZ2 4.35Å; T190-W257 HydrophobicContact CG2-CB 4Å; T190-W257 WeakPolarHBondContact CG2-O 3.44Å; T191-W257 VanDerWaalsContact OG1-CZ3 3.25Å; T191-W257 WeakPolarHBondContact OG1-CZ3 3.27Å; W244-W257 HydrophobicContact CH2-CB 4.41Å; W244-W257 HydrophobicContact CH2-CD2 4.49Å; W244-W257 AromaticContact CH2-CE3 3.83Å; W244-W257 HydrophobicContact CH2-CE3 3.83Å; W244-W257 AromaticContact CZ3-CE3 3.98Å; W244-W257 HydrophobicContact CZ3-CE3 3.98Å; W244-W257 HydrophobicContact CZ3-CZ3 4.24Å; A245-W257 HydrophobicContact CB-CH2 4.37Å; A245-W257 HydrophobicContact CB-CZ3 4.15Å; K248-W257 HydrophobicContact CB-CD2 3.95Å; K248-W257 HydrophobicContact CB-CE3 4.32Å; K248-W257 HydrophobicContact CB-CG 4.5Å; K248-W257 HydrophobicContact CB-CH2 4.09Å; K248-W257 HydrophobicContact CB-CZ2 3.68Å; K248-W257 HydrophobicContact CB-CZ3 4.37Å; K248-W257 HydrophobicContact CG-CD2 4.46Å; L249-W257 HydrophobicContact CB-CZ2 4.44Å; L249-W257 HydrophobicContact CD1-CH2 4.43Å; L249-W257 HydrophobicContact CD2-CH2 3.88Å; L249-W257 HydrophobicContact CD2-CZ2 3.62Å; L249-W257 HydrophobicContact CG-CH2 3.67Å; L249-W257 HydrophobicContact CG-CZ2 3.66Å; E252-W257 PolarHBondContact O-NE1 3.36Å
258F62.5Low67.6Low94 Ų9497.3 Ų97.341%0.41248%0.476SS..  trans-98.2105.4-177.4-173.4-109.9000110.9L171 C256L171-F258 HydrophobicContact CD1-CD2 3.54Å; L171-F258 HydrophobicContact CD1-CE2 3.87Å; L171-F258 HydrophobicContact CD1-CG 4.21Å; L171-F258 HydrophobicContact CD2-CD2 3.57Å; L171-F258 HydrophobicContact CD2-CE2 3.27Å; L171-F258 HydrophobicContact CD2-CZ 4.35Å; L171-F258 HydrophobicContact CG-CD2 3.58Å; L171-F258 HydrophobicContact CG-CE2 3.33Å; L171-F258 HydrophobicContact CG-CZ 4.1Å; C256-F258 PolarHBondContact O-N 3.3Å
259G56.9Low67.7Low55 Ų55100 Ų10057%0.56749%0.49SS*.SBendtrans139.7113.1-177.100000109.4E261G259-E261 PolarHBondContact O-N 3.35Å; G259-E261 VanDerWaalsContact O-N 3.16Å
260K53Low67.9Low111 Ų11196.7 Ų96.748%0.48347%0.472SS..  trans-82.488.4173-68.1-173.5-176.9-177.60107.6P262K260-P262 VanDerWaalsContact O-CD 3.29Å; K260-P262 WeakPolarHBondContact O-CD 3.17Å
261E52.4Low68Low124 Ų12489.2 Ų89.258%0.57944%0.444SS*.  trans-70115.7162.1-68.8-175.1153.300107.7G259 G263 K264G259-E261 PolarHBondContact O-N 3.35Å; G259-E261 VanDerWaalsContact O-N 3.16Å; E261-G263 PolarHBondContact O-N 3.41Å; E261-K264 WeakPolarHBondContact OE2-CE 3.42Å; E261-K264 IonicContact OE2-NZ 3.73Å; E261-K264 PolarHBondContact OE2-NZ 3.43Å
262P43Very low68.5Low128 Ų12882.2 Ų82.283%0.83142%0.421SS*.THydrogen-bonded Turntrans-65.7120.6179.826.2-31.3000109.3K260K260-P262 VanDerWaalsContact O-CD 3.29Å; K260-P262 WeakPolarHBondContact O-CD 3.17Å
263G46.8Very low69.6Low72 Ų7282 Ų8274%0.74242%0.424SS*.THydrogen-bonded Turntrans129.5-0.4167.500000117.7E261E261-G263 PolarHBondContact O-N 3.41Å
264K59.7Low70.5Confident87 Ų8778.1 Ų78.138%0.37840%0.404SS..  trans-91.5123.3177.8-62.6-170-179.8157.50112.2E252 E261 I266 D267E252-K264 WeakPolarHBondContact OE1-CD 3.45Å; E252-K264 WeakPolarHBondContact OE1-CE 3.34Å; E252-K264 IonicContact OE1-NZ 2.68Å; E252-K264 PolarHBondContact OE1-NZ 3.39Å; E261-K264 WeakPolarHBondContact OE2-CE 3.42Å; E261-K264 IonicContact OE2-NZ 3.73Å; E261-K264 PolarHBondContact OE2-NZ 3.43Å; K264-I266 PolarHBondContact O-N 3.19Å; K264-D267 PolarHBondContact O-N 2.95Å
265Y68.6Low71.6Confident216 Ų21671 Ų7185%0.84737%0.371SS*.G310 helixtrans-52.9-26.1-176.1-63.2-80.7000114.8D267 Y268Y265-D267 VanDerWaalsContact C-N 3.34Å; Y265-D267 PolarHBondContact O-N 2.91Å; Y265-Y268 WeakPolarHBondContact O-CB 3.23Å; Y265-Y268 PolarHBondContact O-N 3.24Å
266I76.2Confident72.6Confident29 Ų2968.7 Ų68.715%0.14936%0.363CS..G310 helixtrans-66.1-33.6-175.6-54.2-57.1000112.5K248 Y251 K264 Y268 I269K248-I266 HydrophobicContact CD-CG2 4.07Å; K248-I266 HydrophobicContact CG-CG2 3.92Å; Y251-I266 HydrophobicContact CD2-CD1 3.52Å; Y251-I266 HydrophobicContact CD2-CG1 4.3Å; Y251-I266 HydrophobicContact CE2-CD1 3.95Å; Y251-I266 HydrophobicContact CG-CD1 4.07Å; K264-I266 PolarHBondContact O-N 3.19Å; I266-Y268 PolarHBondContact O-N 3.18Å; I266-I269 HydrophobicContact CG2-CD1 4.25Å; I266-I269 WeakPolarHBondContact O-CB 3.38Å; I266-I269 VanDerWaalsContact O-CG1 3.32Å; I266-I269 WeakPolarHBondContact O-CG1 3.37Å; I266-I269 PolarHBondContact O-N 3Å
267D76.6Confident73.3Confident16 Ų1668.7 Ų68.79%0.08636%0.362CS..G310 helixtrans-72.6-15.8-178.8-68.5-30.9000113W244 K248 K264 Y265 I269 Y270 Q271W244-D267 PolarHBondContact NE1-OD1 3.35Å; K248-D267 WeakPolarHBondContact CE-OD1 3.29Å; K248-D267 IonicContact NZ-OD1 3.63Å; K248-D267 PolarHBondContact NZ-OD1 3.01Å; K248-D267 IonicContact NZ-OD2 3.49Å; K264-D267 PolarHBondContact O-N 2.95Å; Y265-D267 VanDerWaalsContact C-N 3.34Å; Y265-D267 PolarHBondContact O-N 2.91Å; D267-I269 PolarHBondContact O-N 3.02Å; D267-Y270 HydrophobicContact CB-CE1 4.11Å; D267-Y270 WeakPolarHBondContact O-CD1 3.42Å; D267-Y270 WeakPolarHBondContact O-CE1 3.48Å; D267-Q271 WeakPolarHBondContact O-CB 3.37Å; D267-Q271 WeakPolarHBondContact O-CG 3.32Å; D267-Q271 PolarHBondContact O-N 3.27Å
268Y83.6Confident73.9Confident146 Ų14667.6 Ų67.657%0.57336%0.359SS*.Hα-helixtrans-66.1-22.3175.2-162.9-102.6000112.9Y265 I266 Y270 Q271 G272 I275Y265-Y268 WeakPolarHBondContact O-CB 3.23Å; Y265-Y268 PolarHBondContact O-N 3.24Å; I266-Y268 PolarHBondContact O-N 3.18Å; Y268-Y270 VanDerWaalsContact C-N 3.34Å; Y268-Y270 PolarHBondContact O-N 2.97Å; Y268-Q271 PolarHBondContact O-N 3.11Å; Y268-G272 PolarHBondContact O-N 3.33Å; Y268-I275 HydrophobicContact CE2-CD1 4.43Å
269I86.8Confident75Confident68 Ų6867.4 Ų67.435%0.34936%0.361SS..Hα-helixtrans-56.4-45.4-178.7-65.3172.6000111.8A243 W244 I266 D267 P273A243-I269 HydrophobicContact CB-CG2 4.29Å; W244-I269 HydrophobicContact CB-CB 4.36Å; W244-I269 HydrophobicContact CB-CG2 4.08Å; I266-I269 HydrophobicContact CG2-CD1 4.25Å; I266-I269 WeakPolarHBondContact O-CB 3.38Å; I266-I269 VanDerWaalsContact O-CG1 3.32Å; I266-I269 WeakPolarHBondContact O-CG1 3.37Å; I266-I269 PolarHBondContact O-N 3Å; D267-I269 PolarHBondContact O-N 3.02Å; I269-P273 WeakPolarHBondContact O-CD 3.46Å
270Y85.9Confident76.5Confident16 Ų1667.5 Ų67.56%0.06335%0.348CS..Hα-helixtrans-94.1-28.2176.778.4-89.9000112.7V198 I241 W244 D267 Y268 V274V198-Y270 HydrophobicContact CG2-CD2 3.9Å; I241-Y270 HydrophobicContact CD1-CG 4.39Å; W244-Y270 HydrophobicContact CB-CD1 4.41Å; W244-Y270 AromaticContact CD1-CD1 3.46Å; W244-Y270 VanDerWaalsContact CD1-CD1 3.46Å; W244-Y270 AromaticContact CD1-CE1 3.92Å; W244-Y270 HydrophobicContact CD2-CD1 4.12Å; W244-Y270 HydrophobicContact CD2-CE1 4.47Å; W244-Y270 AromaticContact CE2-CE1 3.96Å; W244-Y270 AromaticContact CG-CD1 3.73Å; W244-Y270 HydrophobicContact CG-CD1 3.73Å; W244-Y270 HydrophobicContact CG-CE1 4.42Å; W244-Y270 AromaticContact NE1-CD1 3.6Å; W244-Y270 AromaticContact NE1-CE1 3.56Å; D267-Y270 HydrophobicContact CB-CE1 4.11Å; D267-Y270 WeakPolarHBondContact O-CD1 3.42Å; D267-Y270 WeakPolarHBondContact O-CE1 3.48Å; Y268-Y270 VanDerWaalsContact C-N 3.34Å; Y268-Y270 PolarHBondContact O-N 2.97Å; Y270-V274 WeakPolarHBondContact O-CG2 3.2Å; Y270-V274 PolarHBondContact O-N 3.36Å
271Q85.3Confident78Confident41 Ų4162.7 Ų62.719%0.19233%0.328CS..Hα-helixtrans-67.2-42.1179.7-70.2176.16.100112.1D267 Y268 V274 I275D267-Q271 WeakPolarHBondContact O-CB 3.37Å; D267-Q271 WeakPolarHBondContact O-CG 3.32Å; D267-Q271 PolarHBondContact O-N 3.27Å; Y268-Q271 PolarHBondContact O-N 3.11Å; Q271-V274 WeakPolarHBondContact O-CB 3.33Å; Q271-V274 PolarHBondContact O-N 3.28Å; Q271-V274 VanDerWaalsContact O-N 3.14Å; Q271-I275 HydrophobicContact CB-CD1 4.37Å; Q271-I275 VanDerWaalsContact O-CD1 3.3Å; Q271-I275 WeakPolarHBondContact O-CD1 3.22Å; Q271-I275 WeakPolarHBondContact O-CG1 3.3Å; Q271-I275 PolarHBondContact O-N 3.38Å
272G87.2Confident79.4Confident16 Ų1661.9 Ų61.917%0.16532%0.323CS..Hα-helixtrans-52.4-56.2178.800000113.3Y268 V274 I275 L276Y268-G272 PolarHBondContact O-N 3.33Å; G272-V274 VanDerWaalsContact C-N 3.32Å; G272-V274 PolarHBondContact O-N 3.34Å; G272-I275 PolarHBondContact O-N 2.89Å; G272-L276 PolarHBondContact O-N 3.45Å
273P90.3Very high81.4Confident41 Ų4159.4 Ų59.427%0.26631%0.305SS..Hα-helixtrans-58.5-39.6175.1-27.335.3000113.8I240 I269 L276 V277I240-P273 HydrophobicContact CD1-CB 3.91Å; I240-P273 HydrophobicContact CD1-CG 4.28Å; I240-P273 HydrophobicContact CG2-CG 4.24Å; I269-P273 WeakPolarHBondContact O-CD 3.46Å; P273-L276 PolarHBondContact O-N 2.88Å; P273-V277 WeakPolarHBondContact O-CB 3.2Å; P273-V277 VanDerWaalsContact O-CG2 3.26Å; P273-V277 WeakPolarHBondContact O-CG2 3.2Å; P273-V277 PolarHBondContact O-N 2.93Å
274V88.1Confident83.2Confident9 Ų957.6 Ų57.66%0.05528%0.277CS..Hα-helixtrans-61.2-46.5175.71690000110.4V198 F201 Y270 Q271 G272 L276 V277 L278V198-V274 HydrophobicContact CB-CG2 4.41Å; V198-V274 HydrophobicContact CG1-CG2 4.14Å; V198-V274 HydrophobicContact CG2-CG2 3.89Å; F201-V274 HydrophobicContact CB-CG1 4.33Å; F201-V274 HydrophobicContact CD1-CG1 4.22Å; F201-V274 HydrophobicContact CD2-CG1 3.59Å; F201-V274 HydrophobicContact CD2-CG2 4.14Å; F201-V274 HydrophobicContact CE1-CG1 4.49Å; F201-V274 HydrophobicContact CE2-CG1 3.88Å; F201-V274 HydrophobicContact CG-CG1 3.79Å; F201-V274 HydrophobicContact CZ-CG1 4.34Å; Y270-V274 WeakPolarHBondContact O-CG2 3.2Å; Y270-V274 PolarHBondContact O-N 3.36Å; Q271-V274 WeakPolarHBondContact O-CB 3.33Å; Q271-V274 PolarHBondContact O-N 3.28Å; Q271-V274 VanDerWaalsContact O-N 3.14Å; G272-V274 VanDerWaalsContact C-N 3.32Å; G272-V274 PolarHBondContact O-N 3.34Å; V274-L276 PolarHBondContact O-N 2.9Å; V274-V277 PolarHBondContact O-N 3.46Å; V274-L278 HydrophobicContact CG1-CD1 3.88Å; V274-L278 HydrophobicContact CG1-CG 4.25Å; V274-L278 WeakPolarHBondContact O-CB 3.42Å; V274-L278 WeakPolarHBondContact O-CG 3.37Å; V274-L278 PolarHBondContact O-N 3.31Å
275I85.7Confident84.1Confident28 Ų2854.2 Ų54.214%0.14426%0.263CS..Hα-helixtrans-60.2-46.2178.6-64.1153.4000110.9Y268 Q271 G272 V277 L278 L279 M326 F329Y268-I275 HydrophobicContact CE2-CD1 4.43Å; Q271-I275 HydrophobicContact CB-CD1 4.37Å; Q271-I275 VanDerWaalsContact O-CD1 3.3Å; Q271-I275 WeakPolarHBondContact O-CD1 3.22Å; Q271-I275 WeakPolarHBondContact O-CG1 3.3Å; Q271-I275 PolarHBondContact O-N 3.38Å; G272-I275 PolarHBondContact O-N 2.89Å; I275-V277 VanDerWaalsContact C-N 3.31Å; I275-V277 PolarHBondContact O-N 2.71Å; I275-L278 WeakPolarHBondContact O-CB 3.16Å; I275-L278 PolarHBondContact O-N 3.47Å; I275-L278 VanDerWaalsContact O-N 3.16Å; I275-L279 HydrophobicContact CG2-CD1 4.03Å; I275-L279 HydrophobicContact CG2-CG 4.31Å; I275-L279 WeakPolarHBondContact O-CG 3.21Å; I275-L279 PolarHBondContact O-N 3.27Å; I275-M326 HydrophobicContact CB-CE 4.22Å; I275-M326 HydrophobicContact CG1-CE 4.12Å; I275-M326 HydrophobicContact CG2-CE 3.91Å; I275-F329 HydrophobicContact CD1-CD2 4.2Å; I275-F329 HydrophobicContact CD1-CE1 3.99Å; I275-F329 HydrophobicContact CD1-CE2 3.23Å; I275-F329 HydrophobicContact CD1-CZ 3.12Å; I275-F329 HydrophobicContact CG1-CD2 4.2Å; I275-F329 HydrophobicContact CG1-CE2 3.52Å; I275-F329 HydrophobicContact CG1-CZ 3.98Å
276L88.8Confident84.8Confident104 Ų10450.3 Ų50.355%0.54525%0.251SS..Hα-helixtrans-56.7-47.2177.3177.462.7000111.5G272 P273 V274 L278 L279 I280G272-L276 PolarHBondContact O-N 3.45Å; P273-L276 PolarHBondContact O-N 2.88Å; V274-L276 PolarHBondContact O-N 2.9Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 2.85Å; L276-L279 PolarHBondContact O-N 3.41Å; L276-I280 HydrophobicContact CD1-CD1 4.18Å; L276-I280 HydrophobicContact CD1-CG1 4.5Å; L276-I280 HydrophobicContact CG-CD1 4.08Å; L276-I280 VanDerWaalsContact O-CG1 3.29Å; L276-I280 WeakPolarHBondContact O-CG1 3.42Å; L276-I280 PolarHBondContact O-N 3Å
277V89.1Confident85.1Confident12 Ų1251.2 Ų51.27%0.07326%0.256CS..Hα-helixtrans-62.7-39.4178.6171.30000111.5F202 F205 P273 V274 I275 I280 N281F202-V277 HydrophobicContact CE1-CG2 4.06Å; F202-V277 HydrophobicContact CE2-CG2 4.33Å; F202-V277 HydrophobicContact CZ-CG2 3.95Å; F205-V277 HydrophobicContact CB-CG1 3.24Å; F205-V277 HydrophobicContact CD1-CG1 4.45Å; F205-V277 HydrophobicContact CD2-CG1 4.03Å; F205-V277 HydrophobicContact CG-CG1 3.67Å; P273-V277 WeakPolarHBondContact O-CB 3.2Å; P273-V277 VanDerWaalsContact O-CG2 3.26Å; P273-V277 WeakPolarHBondContact O-CG2 3.2Å; P273-V277 PolarHBondContact O-N 2.93Å; V274-V277 PolarHBondContact O-N 3.46Å; I275-V277 VanDerWaalsContact C-N 3.31Å; I275-V277 PolarHBondContact O-N 2.71Å; V277-I280 PolarHBondContact O-N 2.93Å; V277-N281 WeakPolarHBondContact O-CB 3.37Å; V277-N281 PolarHBondContact O-N 3.34Å
278L84.8Confident85.4Confident7 Ų750.7 Ų50.74%0.03725%0.253CS..Hα-helixtrans-64.4-43.9175.7-71.6179.6000112.6F201 V274 I275 L276 I280 N281 F282 G322 M326F201-L278 HydrophobicContact CD1-CD1 4.33Å; F201-L278 HydrophobicContact CD1-CD2 3.59Å; F201-L278 HydrophobicContact CD1-CG 4.17Å; F201-L278 HydrophobicContact CE1-CD1 4.14Å; F201-L278 HydrophobicContact CE1-CD2 3.87Å; F201-L278 HydrophobicContact CE1-CG 4.43Å; V274-L278 HydrophobicContact CG1-CD1 3.88Å; V274-L278 HydrophobicContact CG1-CG 4.25Å; V274-L278 WeakPolarHBondContact O-CB 3.42Å; V274-L278 WeakPolarHBondContact O-CG 3.37Å; V274-L278 PolarHBondContact O-N 3.31Å; I275-L278 WeakPolarHBondContact O-CB 3.16Å; I275-L278 PolarHBondContact O-N 3.47Å; I275-L278 VanDerWaalsContact O-N 3.16Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 2.85Å; L278-I280 PolarHBondContact O-N 3.13Å; L278-N281 PolarHBondContact O-N 3.32Å; L278-F282 PolarHBondContact O-N 3.03Å; L278-G322 WeakPolarHBondContact CD2-O 3.38Å; L278-M326 HydrophobicContact CB-CE 3.74Å; L278-M326 HydrophobicContact CB-CG 4.35Å; L278-M326 HydrophobicContact CB-SD 3.91Å; L278-M326 HydrophobicContact CD1-CE 3.47Å; L278-M326 VanDerWaalsContact CD1-CE 3.47Å; L278-M326 HydrophobicContact CG-CE 4.24Å
279L85.3Confident85.1Confident89 Ų8945.4 Ų45.447%0.46624%0.235SC..Hα-helixtrans-61.4-43.8176-70.6173000111.4I275 L276 N281 F282 V283 M326I275-L279 HydrophobicContact CG2-CD1 4.03Å; I275-L279 HydrophobicContact CG2-CG 4.31Å; I275-L279 WeakPolarHBondContact O-CG 3.21Å; I275-L279 PolarHBondContact O-N 3.27Å; L276-L279 PolarHBondContact O-N 3.41Å; L279-N281 VanDerWaalsContact C-N 3.35Å; L279-N281 PolarHBondContact O-N 2.8Å; L279-F282 WeakPolarHBondContact O-CB 3.38Å; L279-F282 PolarHBondContact O-N 3.32Å; L279-V283 WeakPolarHBondContact O-CG2 2.99Å; L279-V283 PolarHBondContact O-N 3.12Å; L279-V283 VanDerWaalsContact O-N 3.11Å; L279-M326 HydrophobicContact CD2-SD 3.95Å; L279-M326 HydrophobicContact CG-SD 4.23Å
280I88.3Confident84.9Confident58 Ų5850.1 Ų50.130%0.29725%0.249SC..Hα-helixtrans-64.4-41.8177.2-61.3162.7000110.8F205 L276 V277 L278 F282 V283 F284F205-I280 HydrophobicContact CD2-CG2 4.33Å; F205-I280 HydrophobicContact CE2-CB 4.18Å; F205-I280 HydrophobicContact CE2-CG2 3.67Å; L276-I280 HydrophobicContact CD1-CD1 4.18Å; L276-I280 HydrophobicContact CD1-CG1 4.5Å; L276-I280 HydrophobicContact CG-CD1 4.08Å; L276-I280 VanDerWaalsContact O-CG1 3.29Å; L276-I280 WeakPolarHBondContact O-CG1 3.42Å; L276-I280 PolarHBondContact O-N 3Å; V277-I280 PolarHBondContact O-N 2.93Å; L278-I280 PolarHBondContact O-N 3.13Å; I280-F282 VanDerWaalsContact C-N 3.28Å; I280-F282 PolarHBondContact O-N 3.03Å; I280-V283 WeakPolarHBondContact O-CB 3.33Å; I280-V283 PolarHBondContact O-N 3.47Å; I280-V283 VanDerWaalsContact O-N 3.16Å; I280-F284 HydrophobicContact CG2-CD2 4.18Å; I280-F284 HydrophobicContact CG2-CE1 3.97Å; I280-F284 HydrophobicContact CG2-CE2 3.59Å; I280-F284 HydrophobicContact CG2-CZ 3.47Å; I280-F284 VanDerWaalsContact CG2-CZ 3.47Å; I280-F284 WeakPolarHBondContact O-CG 3.2Å; I280-F284 PolarHBondContact O-N 2.93Å
281N84.4Confident84.7Confident10 Ų1051.7 Ų51.75%0.05326%0.258CS..Hα-helixtrans-63.1-36.1176.9-165.721.9000112.1V277 L278 L279 F284 L285V277-N281 WeakPolarHBondContact O-CB 3.37Å; V277-N281 PolarHBondContact O-N 3.34Å; L278-N281 PolarHBondContact O-N 3.32Å; L279-N281 VanDerWaalsContact C-N 3.35Å; L279-N281 PolarHBondContact O-N 2.8Å; N281-F284 PolarHBondContact O-N 3.49Å; N281-L285 PolarHBondContact O-N 3.25Å
282F82.6Confident84.1Confident106 Ų10651.7 Ų51.747%0.46526%0.259SS..Hα-helixtrans-62.1-42173.1-178.7-99.8000112.2L278 L279 I280 L285 F286 I323L278-F282 PolarHBondContact O-N 3.03Å; L279-F282 WeakPolarHBondContact O-CB 3.38Å; L279-F282 PolarHBondContact O-N 3.32Å; I280-F282 VanDerWaalsContact C-N 3.28Å; I280-F282 PolarHBondContact O-N 3.03Å; F282-L285 WeakPolarHBondContact O-CB 3.37Å; F282-L285 PolarHBondContact O-N 3.11Å; F282-F286 PolarHBondContact O-N 3.44Å; F282-I323 HydrophobicContact CD2-CD1 3.75Å; F282-I323 HydrophobicContact CD2-CG1 4.06Å; F282-I323 HydrophobicContact CE2-CD1 4.07Å
283V85.4Confident83.4Confident77 Ų7753.3 Ų53.347%0.46726%0.263SS..Hα-helixtrans-62.6-43.1174.2174.90000111.2L279 I280 F286 N287L279-V283 WeakPolarHBondContact O-CG2 2.99Å; L279-V283 PolarHBondContact O-N 3.12Å; L279-V283 VanDerWaalsContact O-N 3.11Å; I280-V283 WeakPolarHBondContact O-CB 3.33Å; I280-V283 PolarHBondContact O-N 3.47Å; I280-V283 VanDerWaalsContact O-N 3.16Å; V283-F286 PolarHBondContact O-N 3.24Å; V283-N287 PolarHBondContact O-N 3.43Å; V283-N287 VanDerWaalsContact O-N 3.08Å
284F84.6Confident82.6Confident33 Ų3355.8 Ų55.815%0.14528%0.277CS..Hα-helixtrans-61.9-44.6175.6-65.9-22.9000112.3F205 C209 H212 I280 N281 F286 N287 I288F205-F284 HydrophobicContact CD2-CE2 4.14Å; F205-F284 AromaticContact CE2-CE2 3.65Å; F205-F284 HydrophobicContact CE2-CE2 3.65Å; F205-F284 HydrophobicContact CE2-CZ 4.3Å; F205-F284 HydrophobicContact CZ-CE2 4.47Å; C209-F284 HydrophobicContact CB-CD2 4.47Å; C209-F284 HydrophobicContact CB-CE2 3.82Å; H212-F284 HydrophobicContact CB-CB 4.33Å; H212-F284 HydrophobicContact CB-CD1 4.32Å; H212-F284 HydrophobicContact CB-CG 4.24Å; H212-F284 AromaticContact CG-CD1 3.96Å; I280-F284 HydrophobicContact CG2-CD2 4.18Å; I280-F284 HydrophobicContact CG2-CE1 3.97Å; I280-F284 HydrophobicContact CG2-CE2 3.59Å; I280-F284 HydrophobicContact CG2-CZ 3.47Å; I280-F284 VanDerWaalsContact CG2-CZ 3.47Å; I280-F284 WeakPolarHBondContact O-CG 3.2Å; I280-F284 PolarHBondContact O-N 2.93Å; N281-F284 PolarHBondContact O-N 3.49Å; F284-F286 VanDerWaalsContact C-N 3.32Å; F284-F286 PolarHBondContact O-N 2.94Å; F284-N287 PolarHBondContact O-N 3.2Å; F284-I288 HydrophobicContact CB-CD1 4.47Å; F284-I288 WeakPolarHBondContact O-CB 3.17Å; F284-I288 WeakPolarHBondContact O-CD1 3.46Å; F284-I288 WeakPolarHBondContact O-CG1 3.41Å; F284-I288 PolarHBondContact O-N 3.41Å
285L79.1Confident81.8Confident17 Ų1761.6 Ų61.69%0.08930%0.302CS..Hα-helixtrans-52.6-52.5174.3167.557.3000110.6N281 F282 N287 I288 V289 P319 I323N281-L285 PolarHBondContact O-N 3.25Å; F282-L285 WeakPolarHBondContact O-CB 3.37Å; F282-L285 PolarHBondContact O-N 3.11Å; L285-N287 VanDerWaalsContact C-N 3.34Å; L285-N287 PolarHBondContact O-N 3.18Å; L285-I288 PolarHBondContact O-N 3.21Å; L285-V289 HydrophobicContact CD1-CG2 3.56Å; L285-V289 HydrophobicContact CG-CG2 4.45Å; L285-V289 WeakPolarHBondContact O-CB 3.28Å; L285-V289 VanDerWaalsContact O-CG2 3.31Å; L285-V289 WeakPolarHBondContact O-CG2 3.31Å; L285-V289 PolarHBondContact O-N 3.01Å; L285-P319 HydrophobicContact CB-CB 3.67Å; L285-P319 HydrophobicContact CB-CG 3.6Å; L285-P319 HydrophobicContact CD1-CB 4.18Å; L285-P319 HydrophobicContact CD1-CG 3.38Å; L285-P319 HydrophobicContact CD2-CB 3.86Å; L285-P319 HydrophobicContact CD2-CG 4.01Å; L285-P319 HydrophobicContact CG-CB 4.04Å; L285-P319 HydrophobicContact CG-CG 3.77Å; L285-I323 HydrophobicContact CD2-CD1 3.83Å
286F81.8Confident80.7Confident134 Ų13462.2 Ų62.259%0.58831%0.305SS*.Hα-helixtrans-58.3-46.5-177.8-179.3-99000111.7F282 V283 F284 V289 R290F282-F286 PolarHBondContact O-N 3.44Å; V283-F286 PolarHBondContact O-N 3.24Å; F284-F286 VanDerWaalsContact C-N 3.32Å; F284-F286 PolarHBondContact O-N 2.94Å; F286-V289 PolarHBondContact O-N 3.45Å; F286-R290 WeakPolarHBondContact O-CB 3.12Å; F286-R290 PolarHBondContact O-N 3.28Å
287N84.2Confident79.6Confident48 Ų4866.9 Ų66.926%0.25732%0.316SS..Hα-helixtrans-64.5-44.3178.4-73.1-19.9000112.7V283 F284 L285 R290 I291V283-N287 PolarHBondContact O-N 3.43Å; V283-N287 VanDerWaalsContact O-N 3.08Å; F284-N287 PolarHBondContact O-N 3.2Å; L285-N287 VanDerWaalsContact C-N 3.34Å; L285-N287 PolarHBondContact O-N 3.18Å; N287-R290 WeakPolarHBondContact O-CB 3.27Å; N287-R290 PolarHBondContact O-N 3.38Å; N287-I291 WeakPolarHBondContact O-CG1 3.29Å; N287-I291 PolarHBondContact O-N 3.11Å
288I82.1Confident78.6Confident5 Ų570.4 Ų70.43%0.02635%0.346CS..Hα-helixtrans-59.9-48.4177.4-71.6163.9000110.1L211 H212 I215 F284 L285 R290 I291 L292 L315L211-I288 HydrophobicContact CB-CD1 4.23Å; L211-I288 HydrophobicContact CD2-CD1 3.98Å; L211-I288 HydrophobicContact CD2-CG2 4.47Å; L211-I288 HydrophobicContact CG-CD1 3.96Å; H212-I288 HydrophobicContact CB-CD1 4.04Å; H212-I288 HydrophobicContact CB-CG1 4.19Å; I215-I288 HydrophobicContact CD1-CB 4.5Å; I215-I288 HydrophobicContact CD1-CG1 4.26Å; I215-I288 HydrophobicContact CD1-CG2 3.72Å; F284-I288 HydrophobicContact CB-CD1 4.47Å; F284-I288 WeakPolarHBondContact O-CB 3.17Å; F284-I288 WeakPolarHBondContact O-CD1 3.46Å; F284-I288 WeakPolarHBondContact O-CG1 3.41Å; F284-I288 PolarHBondContact O-N 3.41Å; L285-I288 PolarHBondContact O-N 3.21Å; I288-R290 VanDerWaalsContact C-N 3.33Å; I288-R290 PolarHBondContact O-N 3.48Å; I288-I291 PolarHBondContact O-N 2.86Å; I288-L292 VanDerWaalsContact O-CB 3.25Å; I288-L292 WeakPolarHBondContact O-CB 3.45Å; I288-L292 PolarHBondContact O-N 3.49Å; I288-L315 HydrophobicContact CG2-CD2 3.74Å
289V77.1Confident77.6Confident34 Ų3473 Ų7321%0.20636%0.364CS..Hα-helixtrans-60.3-44.6178.2170.90000110.5L285 F286 I291 L292 M293 V316L285-V289 HydrophobicContact CD1-CG2 3.56Å; L285-V289 HydrophobicContact CG-CG2 4.45Å; L285-V289 WeakPolarHBondContact O-CB 3.28Å; L285-V289 VanDerWaalsContact O-CG2 3.31Å; L285-V289 WeakPolarHBondContact O-CG2 3.31Å; L285-V289 PolarHBondContact O-N 3.01Å; F286-V289 PolarHBondContact O-N 3.45Å; V289-I291 PolarHBondContact O-N 2.9Å; V289-L292 PolarHBondContact O-N 3.43Å; V289-M293 HydrophobicContact CG1-CG 4.11Å; V289-M293 VanDerWaalsContact O-CB 3.29Å; V289-M293 WeakPolarHBondContact O-CB 3.39Å; V289-M293 WeakPolarHBondContact O-CG 3.35Å; V289-M293 PolarHBondContact O-N 3.09Å; V289-V316 HydrophobicContact CG2-CG2 4.05Å
290R82.3Confident76.3Confident168 Ų16874.8 Ų74.863%0.63438%0.379SS*.Hα-helixtrans-56.9-51.5176.8-177.9-173.2178.4-167.31.2111.7F286 N287 I288 T294F286-R290 WeakPolarHBondContact O-CB 3.12Å; F286-R290 PolarHBondContact O-N 3.28Å; N287-R290 WeakPolarHBondContact O-CB 3.27Å; N287-R290 PolarHBondContact O-N 3.38Å; I288-R290 VanDerWaalsContact C-N 3.33Å; I288-R290 PolarHBondContact O-N 3.48Å; R290-T294 WeakPolarHBondContact O-CB 3.01Å; R290-T294 PolarHBondContact O-N 3.22Å; R290-T294 VanDerWaalsContact O-N 3.07Å; R290-T294 PolarHBondContact O-OG1 3.28Å
291I81.4Confident74.9Confident49 Ų4976.6 Ų76.625%0.25139%0.393SS..Hα-helixtrans-65.4-46.1-178.2-65.1166.3000110.5I215 V216 N287 I288 V289 T294 K295I215-I291 HydrophobicContact CG2-CB 4.1Å; I215-I291 HydrophobicContact CG2-CD1 4.21Å; I215-I291 HydrophobicContact CG2-CG2 3.55Å; V216-I291 HydrophobicContact CG2-CD1 3.58Å; N287-I291 WeakPolarHBondContact O-CG1 3.29Å; N287-I291 PolarHBondContact O-N 3.11Å; I288-I291 PolarHBondContact O-N 2.86Å; V289-I291 PolarHBondContact O-N 2.9Å; I291-T294 WeakPolarHBondContact O-CB 3.27Å; I291-T294 PolarHBondContact O-N 3.5Å; I291-K295 PolarHBondContact O-N 3.28Å
292L73.6Confident73.5Confident40 Ų4081.2 Ų81.221%0.20943%0.426CS..Hα-helixtrans-61.4-47.1179.9-179.367.7000111.5I288 V289 T294 K295 L296 L315I288-L292 VanDerWaalsContact O-CB 3.25Å; I288-L292 WeakPolarHBondContact O-CB 3.45Å; I288-L292 PolarHBondContact O-N 3.49Å; V289-L292 PolarHBondContact O-N 3.43Å; L292-T294 VanDerWaalsContact C-N 3.25Å; L292-T294 PolarHBondContact O-N 3Å; L292-K295 PolarHBondContact O-N 3.41Å; L292-L296 HydrophobicContact CD1-CD1 4.13Å; L292-L296 HydrophobicContact CD1-CG 4.22Å; L292-L296 HydrophobicContact CD2-CD1 4.28Å; L292-L296 HydrophobicContact CG-CD1 3.72Å; L292-L296 HydrophobicContact CG-CG 4.26Å; L292-L296 VanDerWaalsContact O-CB 3.25Å; L292-L296 WeakPolarHBondContact O-CB 3.38Å; L292-L296 WeakPolarHBondContact O-CD1 3.45Å; L292-L296 WeakPolarHBondContact O-CG 3.32Å; L292-L296 PolarHBondContact O-N 3.22Å; L292-L315 HydrophobicContact CD2-CB 4.27Å; L292-L315 HydrophobicContact CD2-CD1 3.49Å; L292-L315 VanDerWaalsContact CD2-CD1 3.49Å; L292-L315 HydrophobicContact CD2-CD2 3.51Å; L292-L315 HydrophobicContact CD2-CG 3.92Å
293M71.5Confident72.2Confident50 Ų5084.5 Ų84.525%0.24644%0.443CS..Hα-helixtrans-59.3-39176.6-73.8-63.4142.100111.9V289 L296 R297 K312V289-M293 HydrophobicContact CG1-CG 4.11Å; V289-M293 VanDerWaalsContact O-CB 3.29Å; V289-M293 WeakPolarHBondContact O-CB 3.39Å; V289-M293 WeakPolarHBondContact O-CG 3.35Å; V289-M293 PolarHBondContact O-N 3.09Å; M293-L296 HydrophobicContact CE-CD1 4.41Å; M293-R297 PolarHBondContact O-N 2.99Å; M293-R297 VanDerWaalsContact O-N 3.07Å; M293-K312 HydrophobicContact CE-CB 3.67Å; M293-K312 HydrophobicContact CE-CD 3.57Å; M293-K312 HydrophobicContact CE-CG 3.38Å; M293-K312 HydrophobicContact SD-CD 3.97Å; M293-K312 HydrophobicContact SD-CG 4.43Å
294T74.8Confident70.8Confident93 Ų9382.3 Ų82.357%0.57143%0.43SS*.Hα-helixtrans-66.1-48.8178.4-54.50000111.1R290 I291 L292 L296 R297 A298R290-T294 WeakPolarHBondContact O-CB 3.01Å; R290-T294 PolarHBondContact O-N 3.22Å; R290-T294 VanDerWaalsContact O-N 3.07Å; R290-T294 PolarHBondContact O-OG1 3.28Å; I291-T294 WeakPolarHBondContact O-CB 3.27Å; I291-T294 PolarHBondContact O-N 3.5Å; L292-T294 VanDerWaalsContact C-N 3.25Å; L292-T294 PolarHBondContact O-N 3Å; T294-L296 PolarHBondContact O-N 3.27Å; T294-R297 PolarHBondContact O-N 3.26Å; T294-R297 VanDerWaalsContact O-N 3.15Å; T294-A298 PolarHBondContact O-N 3.14Å
295K69.9Low69.4Low132 Ų13285.7 Ų85.757%0.57445%0.449SS*.Hα-helixtrans-63.7-40.3176.7-73.2-161.5174.5-1770112.5I291 L292 R297 A298I291-K295 PolarHBondContact O-N 3.28Å; L292-K295 PolarHBondContact O-N 3.41Å; K295-R297 PolarHBondContact O-N 3.27Å; K295-A298 PolarHBondContact O-N 3.26Å
296L64.1Low68.3Low40 Ų4092.9 Ų92.921%0.20948%0.481CS..Hα-helixtrans-59.7-35.7175.2-78169.1000111.2L292 M293 T294 A298 S299 R308L292-L296 HydrophobicContact CD1-CD1 4.13Å; L292-L296 HydrophobicContact CD1-CG 4.22Å; L292-L296 HydrophobicContact CD2-CD1 4.28Å; L292-L296 HydrophobicContact CG-CD1 3.72Å; L292-L296 HydrophobicContact CG-CG 4.26Å; L292-L296 VanDerWaalsContact O-CB 3.25Å; L292-L296 WeakPolarHBondContact O-CB 3.38Å; L292-L296 WeakPolarHBondContact O-CD1 3.45Å; L292-L296 WeakPolarHBondContact O-CG 3.32Å; L292-L296 PolarHBondContact O-N 3.22Å; M293-L296 HydrophobicContact CE-CD1 4.41Å; T294-L296 PolarHBondContact O-N 3.27Å; L296-A298 VanDerWaalsContact C-N 3.32Å; L296-A298 PolarHBondContact O-N 3.1Å; L296-S299 PolarHBondContact O-N 3.39Å; L296-R308 HydrophobicContact CD1-CG 4.48Å; L296-R308 HydrophobicContact CD2-CG 4.24Å; L296-R308 PolarHBondContact O-NE 3.18Å; L296-R308 PolarHBondContact O-NH1 3.39Å; L296-R308 PolarHBondContact O-NH2 3.33Å
297R65Low66.9Low203 Ų20394.8 Ų94.877%0.76649%0.486SS*.Hα-helixtrans-71.7-25.4-178.1-169.6177.1-180178.9-0.1113.4M293 T294 K295 S299M293-R297 PolarHBondContact O-N 2.99Å; M293-R297 VanDerWaalsContact O-N 3.07Å; T294-R297 PolarHBondContact O-N 3.26Å; T294-R297 VanDerWaalsContact O-N 3.15Å; K295-R297 PolarHBondContact O-N 3.27Å; R297-S299 VanDerWaalsContact C-N 3.29Å
298A68.3Low65.7Low86 Ų8695.8 Ų95.871%0.71149%0.486SS*.Hα-helixtrans-75.4-15.5175.100000113.7T294 K295 L296T294-A298 PolarHBondContact O-N 3.14Å; K295-A298 PolarHBondContact O-N 3.26Å; L296-A298 VanDerWaalsContact C-N 3.32Å; L296-A298 PolarHBondContact O-N 3.1Å
299S63Low64.3Low60 Ų60103.1 Ų103.142%0.4252%0.518SS..  trans-100.2104.1179.71550000110.1L296 R297L296-S299 PolarHBondContact O-N 3.39Å; R297-S299 VanDerWaalsContact C-N 3.29Å
300T57.9Low63Low127 Ų127104.2 Ų104.278%0.77953%0.53SS*.  trans-103.4103-179.328.90000112
301T59.6Low61.6Low96 Ų9698.3 Ų98.359%0.58951%0.513SS*.  trans-148.2140163.2-3.30000109.8E303 T304T301-E303 VanDerWaalsContact C-N 3.35Å; T301-E303 PolarHBondContact O-N 3.32Å; T301-T304 VanDerWaalsContact O-CB 3.23Å; T301-T304 WeakPolarHBondContact O-CB 3.29Å; T301-T304 VanDerWaalsContact O-CG2 3.31Å; T301-T304 WeakPolarHBondContact O-CG2 3.22Å; T301-T304 PolarHBondContact O-N 2.96Å; T301-T304 PolarHBondContact O-OG1 2.95Å
302S55Low60.1Low107 Ų107101.5 Ų101.575%0.74853%0.525SS*.THydrogen-bonded Turntrans-64.2-24.7-164.747.50000116.3T304S302-T304 VanDerWaalsContact C-N 3.28Å; S302-T304 PolarHBondContact O-N 3.48Å
303E55.2Low59.1Low175 Ų175102.5 Ų102.582%0.81854%0.54SS*.THydrogen-bonded Turntrans-72.3-17.8171.2-67.2-157.6143.500113.9T301 I305T301-E303 VanDerWaalsContact C-N 3.35Å; T301-E303 PolarHBondContact O-N 3.32Å; E303-I305 PolarHBondContact O-N 3.16Å
304T56.2Low57.9Low31 Ų31102.7 Ų102.719%0.1954%0.544CS..Hα-helixtrans-70.1-15-178.266.40000113.5T301 S302 R308T301-T304 VanDerWaalsContact O-CB 3.23Å; T301-T304 WeakPolarHBondContact O-CB 3.29Å; T301-T304 VanDerWaalsContact O-CG2 3.31Å; T301-T304 WeakPolarHBondContact O-CG2 3.22Å; T301-T304 PolarHBondContact O-N 2.96Å; T301-T304 PolarHBondContact O-OG1 2.95Å; S302-T304 VanDerWaalsContact C-N 3.28Å; S302-T304 PolarHBondContact O-N 3.48Å; T304-R308 WeakPolarHBondContact O-CB 3.06Å; T304-R308 WeakPolarHBondContact O-CD 3.43Å; T304-R308 WeakPolarHBondContact O-CG 3.32Å; T304-R308 PolarHBondContact O-N 2.89Å
305I56.3Low57Low105 Ų105100.4 Ų100.454%0.53853%0.527SS..Hα-helixtrans-76.6-36.5-174.6-63.4171000112E303E303-I305 PolarHBondContact O-N 3.16Å
306Q54.8Low56.1Low167 Ų16796.7 Ų96.778%0.7852%0.516SS*.Hα-helixtrans-80-36.3176.1-152.4171.220.900110.9K309 A310Q306-K309 PolarHBondContact O-N 3.01Å; Q306-A310 PolarHBondContact O-N 3.36Å
307Y53.5Low55.6Low175 Ų17597.7 Ų97.769%0.68652%0.521SS*.Hα-helixtrans-66.6-35.4174.6-148.2-98.2000112.6K309 V311Y307-K309 VanDerWaalsContact C-N 3.33Å; Y307-K309 PolarHBondContact O-N 3.34Å; Y307-V311 HydrophobicContact CD1-CG2 3.72Å; Y307-V311 HydrophobicContact CE1-CG2 3.72Å; Y307-V311 WeakPolarHBondContact O-CB 2.97Å; Y307-V311 VanDerWaalsContact O-CG2 3.26Å; Y307-V311 WeakPolarHBondContact O-CG2 3.35Å; Y307-V311 PolarHBondContact O-N 2.9Å
308R58.6Low55.2Low68 Ų6889.9 Ų89.926%0.25749%0.494SS..Hα-helixtrans-64.1-30.6171.7-88.2162154.5-149.7-55.8113.9L296 T304 K312L296-R308 HydrophobicContact CD1-CG 4.48Å; L296-R308 HydrophobicContact CD2-CG 4.24Å; L296-R308 PolarHBondContact O-NE 3.18Å; L296-R308 PolarHBondContact O-NH1 3.39Å; L296-R308 PolarHBondContact O-NH2 3.33Å; T304-R308 WeakPolarHBondContact O-CB 3.06Å; T304-R308 WeakPolarHBondContact O-CD 3.43Å; T304-R308 WeakPolarHBondContact O-CG 3.32Å; T304-R308 PolarHBondContact O-N 2.89Å; R308-K312 WeakPolarHBondContact O-CB 3.29Å; R308-K312 PolarHBondContact O-N 2.88Å; R308-K312 VanDerWaalsContact O-N 3.15Å
309K51.6Low54.4Low159 Ų15986.5 Ų86.569%0.69147%0.465SS*.Hα-helixtrans-74.7-36.5-180-73.4-179.8179-177.50112Q306 Y307 A313Q306-K309 PolarHBondContact O-N 3.01Å; Y307-K309 VanDerWaalsContact C-N 3.33Å; Y307-K309 PolarHBondContact O-N 3.34Å; K309-A313 PolarHBondContact O-N 3.29Å
310A49.5Very low53.8Low57 Ų5786.2 Ų86.247%0.47146%0.459SS..Hα-helixtrans-78.8-45.7176.400000112.9Q306 K312 A313 T314Q306-A310 PolarHBondContact O-N 3.36Å; A310-K312 VanDerWaalsContact C-N 3.26Å; A310-K312 PolarHBondContact O-N 3.36Å; A310-A313 PolarHBondContact O-N 2.89Å; A310-A313 VanDerWaalsContact O-N 3.14Å; A310-T314 WeakPolarHBondContact O-CB 3.47Å; A310-T314 PolarHBondContact O-N 3.13Å; A310-T314 PolarHBondContact O-OG1 2.93Å; A310-T314 VanDerWaalsContact O-OG1 3.05Å
311V53Low53.7Low45 Ų4581 Ų8127%0.27343%0.426SS..Hα-helixtrans-65.6-29.6178.1174.10000111.9Y307 L315Y307-V311 HydrophobicContact CD1-CG2 3.72Å; Y307-V311 HydrophobicContact CE1-CG2 3.72Å; Y307-V311 WeakPolarHBondContact O-CB 2.97Å; Y307-V311 VanDerWaalsContact O-CG2 3.26Å; Y307-V311 WeakPolarHBondContact O-CG2 3.35Å; Y307-V311 PolarHBondContact O-N 2.9Å; V311-L315 VanDerWaalsContact O-CB 3.25Å; V311-L315 WeakPolarHBondContact O-CB 3.11Å; V311-L315 PolarHBondContact O-N 3.34Å; V311-L315 VanDerWaalsContact O-N 3.11Å
312K50.2Low53.6Low115 Ų11576.5 Ų76.550%0.540%0.399SS..Hα-helixtrans-69.2-34.6171.9-179.7167.3-174.9-174.40113.6M293 R308 A310 V316M293-K312 HydrophobicContact CE-CB 3.67Å; M293-K312 HydrophobicContact CE-CD 3.57Å; M293-K312 HydrophobicContact CE-CG 3.38Å; M293-K312 HydrophobicContact SD-CD 3.97Å; M293-K312 HydrophobicContact SD-CG 4.43Å; R308-K312 WeakPolarHBondContact O-CB 3.29Å; R308-K312 PolarHBondContact O-N 2.88Å; R308-K312 VanDerWaalsContact O-N 3.15Å; A310-K312 VanDerWaalsContact C-N 3.26Å; A310-K312 PolarHBondContact O-N 3.36Å; K312-V316 WeakPolarHBondContact O-CB 3.22Å; K312-V316 WeakPolarHBondContact O-CG2 3.36Å
313A52Low53.8Low62 Ų6273.2 Ų73.251%0.51237%0.373SS..Hα-helixtrans-78.4-36.7177.700000111.7K309 A310 L317K309-A313 PolarHBondContact O-N 3.29Å; A310-A313 PolarHBondContact O-N 2.89Å; A310-A313 VanDerWaalsContact O-N 3.14Å; A313-L317 PolarHBondContact O-N 2.82Å
314T47.8Very low54.1Low54 Ų5465.1 Ų65.133%0.33134%0.335SS..Hα-helixtrans-78.4-32.5-176.5-59.30000114.4A310 V316 F360A310-T314 WeakPolarHBondContact O-CB 3.47Å; A310-T314 PolarHBondContact O-N 3.13Å; A310-T314 PolarHBondContact O-OG1 2.93Å; A310-T314 VanDerWaalsContact O-OG1 3.05Å; T314-V316 VanDerWaalsContact C-N 3.35Å; T314-F360 HydrophobicContact CG2-CD1 3.17Å; T314-F360 HydrophobicContact CG2-CE1 3.33Å; T314-F360 HydrophobicContact CG2-CG 4.02Å; T314-F360 HydrophobicContact CG2-CZ 4.28Å
315L54.8Low54.4Low44 Ų4465.4 Ų65.423%0.2333%0.333CS..Hα-helixtrans-82.7-16.9177.5-150133.3000112.6I288 L292 V311I288-L315 HydrophobicContact CG2-CD2 3.74Å; L292-L315 HydrophobicContact CD2-CB 4.27Å; L292-L315 HydrophobicContact CD2-CD1 3.49Å; L292-L315 VanDerWaalsContact CD2-CD1 3.49Å; L292-L315 HydrophobicContact CD2-CD2 3.51Å; L292-L315 HydrophobicContact CD2-CG 3.92Å; V311-L315 VanDerWaalsContact O-CB 3.25Å; V311-L315 WeakPolarHBondContact O-CB 3.11Å; V311-L315 PolarHBondContact O-N 3.34Å; V311-L315 VanDerWaalsContact O-N 3.11Å
316V51.1Low54.4Low54 Ų5462.2 Ų62.233%0.32732%0.316SS..Hα-helixtrans-81.3-29.5172.31670000111.8V289 K312 T314 L318 P319 L320V289-V316 HydrophobicContact CG2-CG2 4.05Å; K312-V316 WeakPolarHBondContact O-CB 3.22Å; K312-V316 WeakPolarHBondContact O-CG2 3.36Å; T314-V316 VanDerWaalsContact C-N 3.35Å; V316-L318 PolarHBondContact O-N 3.01Å; V316-P319 WeakPolarHBondContact O-CD 3.04Å; V316-L320 HydrophobicContact CG1-CD1 4.14Å; V316-L320 WeakPolarHBondContact O-CD1 3.31Å
317L53.3Low54.6Low62 Ų6256.9 Ų56.933%0.32529%0.293SS..THydrogen-bonded Turntrans-73.5-13.4176.9-142.586000114.3A313 L320 F356 F360A313-L317 PolarHBondContact O-N 2.82Å; L317-L320 HydrophobicContact CD1-CD1 3.93Å; L317-L320 HydrophobicContact CG-CD1 4.5Å; L317-F356 HydrophobicContact CD2-CB 4.33Å; L317-F356 HydrophobicContact CD2-CD1 4.39Å; L317-F356 HydrophobicContact CD2-CG 4.26Å; L317-F360 HydrophobicContact CD2-CD2 4.28Å; L317-F360 HydrophobicContact CD2-CE2 3.42Å; L317-F360 VanDerWaalsContact CD2-CE2 3.42Å; L317-F360 HydrophobicContact CD2-CZ 4.06Å
318L57.7Low54.7Low38 Ų3853.3 Ų53.320%0.19928%0.281CS..THydrogen-bonded Turntrans-70.3-39.6-174.2-128.273.9000113.4L211 V316 F360 Y361L211-L318 HydrophobicContact CD2-CD2 4.27Å; V316-L318 PolarHBondContact O-N 3.01Å; L318-F360 HydrophobicContact CD1-CB 4.39Å; L318-Y361 HydrophobicContact CD1-CE1 4.01Å; L318-Y361 HydrophobicContact CD1-CE2 3.99Å; L318-Y361 HydrophobicContact CD2-CE1 3.74Å; L318-Y361 WeakPolarHBondContact CD2-OH 3.43Å; L318-Y361 HydrophobicContact CG-CE1 4.06Å; L318-Y361 HydrophobicContact CG-CE2 4.04Å; L318-Y361 VanDerWaalsContact CG-CZ 3.45Å; L318-Y361 WeakPolarHBondContact CG-OH 3.35Å
319P50.5Low54.4Low15 Ų1555.2 Ų55.210%0.09729%0.291CS..THydrogen-bonded Turntrans-97.2-5.8176.3-13.437.3000113.2L285 V316 L321 G322L285-P319 HydrophobicContact CB-CB 3.67Å; L285-P319 HydrophobicContact CB-CG 3.6Å; L285-P319 HydrophobicContact CD1-CB 4.18Å; L285-P319 HydrophobicContact CD1-CG 3.38Å; L285-P319 HydrophobicContact CD2-CB 3.86Å; L285-P319 HydrophobicContact CD2-CG 4.01Å; L285-P319 HydrophobicContact CG-CB 4.04Å; L285-P319 HydrophobicContact CG-CG 3.77Å; V316-P319 WeakPolarHBondContact O-CD 3.04Å; P319-L321 PolarHBondContact O-N 3.17Å; P319-G322 PolarHBondContact O-N 2.03Å; P319-G322 VanDerWaalsContact O-N 3.08Å
320L51.5Low54.6Low55 Ų5552.4 Ų52.429%0.28829%0.287SS..Hα-helixtrans-62-13.7179.9-102.4160.9000113.8V316 L317 G322 I323 T324V316-L320 HydrophobicContact CG1-CD1 4.14Å; V316-L320 WeakPolarHBondContact O-CD1 3.31Å; L317-L320 HydrophobicContact CD1-CD1 3.93Å; L317-L320 HydrophobicContact CG-CD1 4.5Å; L320-G322 VanDerWaalsContact C-N 3.26Å; L320-G322 PolarHBondContact O-N 3.22Å; L320-I323 HydrophobicContact CD2-CB 4.02Å; L320-I323 HydrophobicContact CD2-CD1 4.05Å; L320-I323 HydrophobicContact CD2-CG2 4.1Å; L320-I323 HydrophobicContact CG-CD1 4.07Å; L320-I323 PolarHBondContact O-N 2.89Å; L320-T324 WeakPolarHBondContact O-CG2 3.41Å; L320-T324 PolarHBondContact O-N 2.89Å
321L56Low54.6Low16 Ų1656.3 Ų56.38%0.08430%0.3CS..Hα-helixtrans-78.2-11.2177-69.3-178.7000114.6F161 M204 P319 Q353 V357F161-L321 HydrophobicContact CZ-CD1 4.47Å; M204-L321 HydrophobicContact SD-CB 3.74Å; P319-L321 PolarHBondContact O-N 3.17Å; L321-Q353 HydrophobicContact CB-CG 4.16Å; L321-Q353 HydrophobicContact CD1-CG 3.67Å; L321-Q353 HydrophobicContact CD2-CB 3.54Å; L321-Q353 HydrophobicContact CD2-CG 3.31Å; L321-Q353 HydrophobicContact CG-CG 3.83Å; L321-Q353 PolarHBondContact O-NE2 3.48Å; L321-V357 HydrophobicContact CD1-CG2 3.2Å
322G57.4Low54.8Low3 Ų355.8 Ų55.83%0.03130%0.297CS..Hα-helixtrans-95.8-26164.100000114.2L278 P319 L320 Y325L278-G322 WeakPolarHBondContact CD2-O 3.38Å; P319-G322 PolarHBondContact O-N 2.03Å; P319-G322 VanDerWaalsContact O-N 3.08Å; L320-G322 VanDerWaalsContact C-N 3.26Å; L320-G322 PolarHBondContact O-N 3.22Å; G322-Y325 PolarHBondContact O-N 2.94Å
323I59Low55Low38 Ų3852 Ų5220%0.19529%0.291CS..Hα-helixtrans-73.3-32.8-176-62.5177.3000111.5F282 L285 L320 Y325 M326 L327F282-I323 HydrophobicContact CD2-CD1 3.75Å; F282-I323 HydrophobicContact CD2-CG1 4.06Å; F282-I323 HydrophobicContact CE2-CD1 4.07Å; L285-I323 HydrophobicContact CD2-CD1 3.83Å; L320-I323 HydrophobicContact CD2-CB 4.02Å; L320-I323 HydrophobicContact CD2-CD1 4.05Å; L320-I323 HydrophobicContact CD2-CG2 4.1Å; L320-I323 HydrophobicContact CG-CD1 4.07Å; L320-I323 PolarHBondContact O-N 2.89Å; I323-Y325 PolarHBondContact O-N 3.36Å; I323-M326 WeakPolarHBondContact O-CA 2.97Å; I323-M326 VanDerWaalsContact O-CB 3.31Å; I323-M326 WeakPolarHBondContact O-CB 3.34Å; I323-M326 PolarHBondContact O-N 3.11Å; I323-L327 PolarHBondContact O-N 2.95Å
324T61.9Low55.4Low4 Ų458 Ų583%0.02531%0.308CS..Hα-helixtrans-60.8-33.2177.354.20000112.7L320 L327 L349L320-T324 WeakPolarHBondContact O-CG2 3.41Å; L320-T324 PolarHBondContact O-N 2.89Å; T324-L327 WeakPolarHBondContact O-CB 3.15Å; T324-L327 PolarHBondContact O-N 3.35Å; T324-L349 HydrophobicContact CG2-CB 3.68Å; T324-L349 HydrophobicContact CG2-CD1 3.28Å; T324-L349 HydrophobicContact CG2-CG 4.11Å
325Y62.1Low56.4Low38 Ų3860.5 Ų60.515%0.14932%0.32CS..Hα-helixtrans-73.8-25.3172.7-106.7-100.1000113.3F201 G322 I323 L327 F328 Q350F201-Y325 HydrophobicContact CE1-CD2 4.13Å; F201-Y325 HydrophobicContact CE1-CG 4.12Å; F201-Y325 HydrophobicContact CE2-CD1 4.42Å; F201-Y325 HydrophobicContact CE2-CE1 4.29Å; F201-Y325 HydrophobicContact CE2-CE2 4.4Å; F201-Y325 AromaticContact CZ-CD1 3.87Å; F201-Y325 HydrophobicContact CZ-CD1 3.87Å; F201-Y325 AromaticContact CZ-CD2 3.48Å; F201-Y325 HydrophobicContact CZ-CD2 3.48Å; F201-Y325 VanDerWaalsContact CZ-CD2 3.48Å; F201-Y325 HydrophobicContact CZ-CE1 4.06Å; F201-Y325 AromaticContact CZ-CE2 3.68Å; F201-Y325 HydrophobicContact CZ-CE2 3.68Å; F201-Y325 AromaticContact CZ-CG 3.56Å; F201-Y325 HydrophobicContact CZ-CG 3.56Å; F201-Y325 AromaticContact CZ-CZ 3.96Å; G322-Y325 PolarHBondContact O-N 2.94Å; I323-Y325 PolarHBondContact O-N 3.36Å; Y325-L327 PolarHBondContact O-N 3.2Å; Y325-F328 VanDerWaalsContact O-CB 3.28Å; Y325-F328 WeakPolarHBondContact O-CB 3.4Å; Y325-F328 PolarHBondContact O-N 3.5Å; Y325-Q350 HydrophobicContact CE2-CG 4.5Å; Y325-Q350 PolarHBondContact OH-NE2 3.08Å
326M56.6Low57.1Low37 Ų3761.8 Ų61.818%0.18233%0.327CS..Hα-helixtrans-69.2-26.3171.5-61.6-75.482.100111.7I275 L278 L279 I323 F328 F329I275-M326 HydrophobicContact CB-CE 4.22Å; I275-M326 HydrophobicContact CG1-CE 4.12Å; I275-M326 HydrophobicContact CG2-CE 3.91Å; L278-M326 HydrophobicContact CB-CE 3.74Å; L278-M326 HydrophobicContact CB-CG 4.35Å; L278-M326 HydrophobicContact CB-SD 3.91Å; L278-M326 HydrophobicContact CD1-CE 3.47Å; L278-M326 VanDerWaalsContact CD1-CE 3.47Å; L278-M326 HydrophobicContact CG-CE 4.24Å; L279-M326 HydrophobicContact CD2-SD 3.95Å; L279-M326 HydrophobicContact CG-SD 4.23Å; I323-M326 WeakPolarHBondContact O-CA 2.97Å; I323-M326 VanDerWaalsContact O-CB 3.31Å; I323-M326 WeakPolarHBondContact O-CB 3.34Å; I323-M326 PolarHBondContact O-N 3.11Å; M326-F328 PolarHBondContact O-N 3.36Å; M326-F329 PolarHBondContact O-N 3.21Å; M326-F329 VanDerWaalsContact O-N 3.08Å
327L58.8Low58.1Low56 Ų5665.4 Ų65.429%0.29334%0.343SS..Hα-helixtrans-62.9-27.8174.1-60.5174000111.1I323 T324 Y325 F329 V330 F342 F345I323-L327 PolarHBondContact O-N 2.95Å; T324-L327 WeakPolarHBondContact O-CB 3.15Å; T324-L327 PolarHBondContact O-N 3.35Å; Y325-L327 PolarHBondContact O-N 3.2Å; L327-F329 PolarHBondContact O-N 2.96Å; L327-F329 VanDerWaalsContact O-N 3.17Å; L327-V330 PolarHBondContact O-N 2.92Å; L327-V330 VanDerWaalsContact O-N 3.12Å; L327-F342 VanDerWaalsContact C-CE2 3.4Å; L327-F342 VanDerWaalsContact C-CZ 3.49Å; L327-F342 HydrophobicContact CB-CE2 3.6Å; L327-F342 HydrophobicContact CB-CZ 4.17Å; L327-F342 WeakPolarHBondContact O-CE2 3.36Å; L327-F342 WeakPolarHBondContact O-CZ 3.44Å; L327-F345 HydrophobicContact CD1-CD1 4.02Å; L327-F345 HydrophobicContact CD1-CE1 3.72Å
328F55.3Low59.1Low100 Ų10065 Ų6544%0.43935%0.346SS..THydrogen-bonded Turntrans-61.3-22.6174.1-167.8-96000113.7Y325 M326 F342Y325-F328 VanDerWaalsContact O-CB 3.28Å; Y325-F328 WeakPolarHBondContact O-CB 3.4Å; Y325-F328 PolarHBondContact O-N 3.5Å; M326-F328 PolarHBondContact O-N 3.36Å; F328-F342 HydrophobicContact CB-CZ 4.43Å; F328-F342 HydrophobicContact CD2-CE1 4.49Å
329F51.7Low59.8Low107 Ų10766.4 Ų66.447%0.46935%0.351SS..THydrogen-bonded Turntrans-92.2-20.9176.8-86.1-83.3000113.8I275 M326 L327 N331I275-F329 HydrophobicContact CD1-CD2 4.2Å; I275-F329 HydrophobicContact CD1-CE1 3.99Å; I275-F329 HydrophobicContact CD1-CE2 3.23Å; I275-F329 HydrophobicContact CD1-CZ 3.12Å; I275-F329 HydrophobicContact CG1-CD2 4.2Å; I275-F329 HydrophobicContact CG1-CE2 3.52Å; I275-F329 HydrophobicContact CG1-CZ 3.98Å; M326-F329 PolarHBondContact O-N 3.21Å; M326-F329 VanDerWaalsContact O-N 3.08Å; L327-F329 PolarHBondContact O-N 2.96Å; L327-F329 VanDerWaalsContact O-N 3.17Å; F329-N331 PolarHBondContact O-N 2.75Å
330V56.8Low61Low101 Ų10167.2 Ų67.261%0.61235%0.354SS*.SBendtrans-76.390.3169.8-176.90000105.2L327 P332L327-V330 PolarHBondContact O-N 2.92Å; L327-V330 VanDerWaalsContact O-N 3.12Å; V330-P332 WeakPolarHBondContact O-CD 3.43Å
331N49.6Very low62.3Low139 Ų13968.9 Ų68.974%0.74337%0.366SS*.  trans-44.8114.6179.6-162.525.1000108.1F329 G333F329-N331 PolarHBondContact O-N 2.75Å; N331-G333 PolarHBondContact O-N 3.48Å
332P56.7Low63.2Low33 Ų3370.1 Ų70.121%0.21437%0.371CS..  trans-58.9129.8166.526.9-30.8000104.8V330 Q339V330-P332 WeakPolarHBondContact O-CD 3.43Å; P332-Q339 HydrophobicContact CB-CG 3.83Å; P332-Q339 HydrophobicContact CG-CG 3.89Å
333G54.8Low64.1Low35 Ų3573 Ų7336%0.36139%0.386SS..  trans-53.7176.8178.300000111.8N331 D335 Q339N331-G333 PolarHBondContact O-N 3.48Å; G333-D335 PolarHBondContact O-N 3.46Å; G333-Q339 PolarHBondContact O-NE2 3.19Å
334E59.6Low65.2Low189 Ų18973.9 Ų73.988%0.88339%0.387SS*.SBendtrans-60.8-3.8175.6-65.1176.3174.200113.1D336E334-D336 PolarHBondContact O-N 3.26Å
335D69.1Low66Low106 Ų10678.8 Ų78.857%0.56741%0.408SS*.  trans-72.4120.5177.3-54.9-45.4000113.3G333 I337 S338 Q339G333-D335 PolarHBondContact O-N 3.46Å; D335-I337 VanDerWaalsContact C-N 3.3Å; D335-I337 PolarHBondContact O-N 3.11Å; D335-S338 WeakPolarHBondContact O-CB 3.36Å; D335-S338 PolarHBondContact O-N 3.07Å; D335-S338 VanDerWaalsContact O-N 3.14Å; D335-Q339 PolarHBondContact O-N 2.96Å
336D69.3Low66.7Low71 Ų7178.2 Ų78.238%0.3841%0.407SS..Hα-helixtrans-54.7-41.7178.5-58.8-41.9000113.6Y111 E334 S338 Q339 I340Y111-D336 WeakPolarHBondContact OH-CA 2.83Å; Y111-D336 WeakPolarHBondContact OH-CB 3.27Å; Y111-D336 PolarHBondContact OH-OD1 3.39Å; E334-D336 PolarHBondContact O-N 3.26Å; D336-S338 PolarHBondContact O-N 3.29Å; D336-Q339 PolarHBondContact O-N 2.86Å; D336-I340 WeakPolarHBondContact O-CD1 3.44Å; D336-I340 VanDerWaalsContact O-CG1 3.27Å; D336-I340 WeakPolarHBondContact O-CG1 3.33Å; D336-I340 PolarHBondContact O-N 3.47Å; D336-I340 VanDerWaalsContact O-N 3.08Å
337I73.4Confident67.9Low131 Ų13177.4 Ų77.467%0.67241%0.405SS*.Hα-helixtrans-66.1-40.4-178.1-59.8173.8000110.8D335 I340 V341D335-I337 VanDerWaalsContact C-N 3.3Å; D335-I337 PolarHBondContact O-N 3.11Å; I337-I340 PolarHBondContact O-N 3.46Å; I337-V341 HydrophobicContact CG2-CG2 4.34Å; I337-V341 WeakPolarHBondContact O-CG2 3.14Å; I337-V341 PolarHBondContact O-N 3.33Å
338S73.4Confident69.1Low54 Ų5478.7 Ų78.738%0.37841%0.409SS..Hα-helixtrans-65.1-41.4-179.6-67.40000110.7D335 D336 F342D335-S338 WeakPolarHBondContact O-CB 3.36Å; D335-S338 PolarHBondContact O-N 3.07Å; D335-S338 VanDerWaalsContact O-N 3.14Å; D336-S338 PolarHBondContact O-N 3.29Å; S338-F342 WeakPolarHBondContact O-CB 3.42Å; S338-F342 PolarHBondContact O-N 2.81Å
339Q73.2Confident70.3Confident67 Ų6775.6 Ų75.631%0.31340%0.396SS..Hα-helixtrans-64.4-43.3175.7-64.6-176.821.400111.9P332 G333 D335 D336 F342 I343P332-Q339 HydrophobicContact CB-CG 3.83Å; P332-Q339 HydrophobicContact CG-CG 3.89Å; G333-Q339 PolarHBondContact O-NE2 3.19Å; D335-Q339 PolarHBondContact O-N 2.96Å; D336-Q339 PolarHBondContact O-N 2.86Å; Q339-F342 WeakPolarHBondContact O-CB 3.48Å; Q339-F342 PolarHBondContact O-N 3.02Å; Q339-I343 WeakPolarHBondContact O-CD1 3.35Å; Q339-I343 VanDerWaalsContact O-CG1 3.25Å; Q339-I343 WeakPolarHBondContact O-CG1 3.11Å; Q339-I343 PolarHBondContact O-N 2.66Å
340I75.5Confident71.6Confident31 Ų3171.8 Ų71.816%0.15938%0.38CS..Hα-helixtrans-63.9-49.6179.4-67.2165000110.9Y111 H114 D336 I337 F342 I343 Y344Y111-I340 HydrophobicContact CD1-CD1 4.47Å; Y111-I340 HydrophobicContact CD1-CG1 4.17Å; Y111-I340 HydrophobicContact CE1-CD1 4.07Å; Y111-I340 HydrophobicContact CE1-CG1 3.82Å; H114-I340 HydrophobicContact CB-CG2 4.25Å; D336-I340 WeakPolarHBondContact O-CD1 3.44Å; D336-I340 VanDerWaalsContact O-CG1 3.27Å; D336-I340 WeakPolarHBondContact O-CG1 3.33Å; D336-I340 PolarHBondContact O-N 3.47Å; D336-I340 VanDerWaalsContact O-N 3.08Å; I337-I340 PolarHBondContact O-N 3.46Å; I340-F342 VanDerWaalsContact C-N 3.27Å; I340-F342 PolarHBondContact O-N 2.94Å; I340-I343 PolarHBondContact O-N 2.97Å; I340-Y344 HydrophobicContact CG2-CD2 3.75Å; I340-Y344 HydrophobicContact CG2-CE2 3.53Å; I340-Y344 WeakPolarHBondContact O-CD2 3.3Å; I340-Y344 PolarHBondContact O-N 2.96Å; I340-Y344 VanDerWaalsContact O-N 3.11Å
341V77.7Confident73.1Confident90 Ų9067 Ų6755%0.54535%0.351SS..Hα-helixtrans-60.4-41.7178.11720000110.8I337 Y344 F345I337-V341 HydrophobicContact CG2-CG2 4.34Å; I337-V341 WeakPolarHBondContact O-CG2 3.14Å; I337-V341 PolarHBondContact O-N 3.33Å; V341-Y344 PolarHBondContact O-N 3.5Å; V341-F345 WeakPolarHBondContact O-CB 3.39Å; V341-F345 PolarHBondContact O-N 3.3Å
342F76.1Confident74.8Confident43 Ų4361.9 Ų61.919%0.18932%0.322CS..Hα-helixtrans-57.8-49176.9-180-89.4000112.2L327 F328 S338 Q339 I340 Y344 F345 N346L327-F342 VanDerWaalsContact C-CE2 3.4Å; L327-F342 VanDerWaalsContact C-CZ 3.49Å; L327-F342 HydrophobicContact CB-CE2 3.6Å; L327-F342 HydrophobicContact CB-CZ 4.17Å; L327-F342 WeakPolarHBondContact O-CE2 3.36Å; L327-F342 WeakPolarHBondContact O-CZ 3.44Å; F328-F342 HydrophobicContact CB-CZ 4.43Å; F328-F342 HydrophobicContact CD2-CE1 4.49Å; S338-F342 WeakPolarHBondContact O-CB 3.42Å; S338-F342 PolarHBondContact O-N 2.81Å; Q339-F342 WeakPolarHBondContact O-CB 3.48Å; Q339-F342 PolarHBondContact O-N 3.02Å; I340-F342 VanDerWaalsContact C-N 3.27Å; I340-F342 PolarHBondContact O-N 2.94Å; F342-Y344 PolarHBondContact O-N 2.98Å; F342-F345 PolarHBondContact O-N 2.89Å; F342-N346 HydrophobicContact CE1-CB 4.43Å; F342-N346 VanDerWaalsContact O-CB 3.24Å; F342-N346 WeakPolarHBondContact O-CB 3.17Å; F342-N346 PolarHBondContact O-N 2.69Å
343I76.3Confident76.2Confident64 Ų6460.3 Ų60.333%0.32831%0.312SS..Hα-helixtrans-59.7-49.3179.1-69.4163000110.2A118 Q339 I340 F345 N346 S347A118-I343 HydrophobicContact CB-CG2 3.9Å; Q339-I343 WeakPolarHBondContact O-CD1 3.35Å; Q339-I343 VanDerWaalsContact O-CG1 3.25Å; Q339-I343 WeakPolarHBondContact O-CG1 3.11Å; Q339-I343 PolarHBondContact O-N 2.66Å; I340-I343 PolarHBondContact O-N 2.97Å; I343-F345 PolarHBondContact O-N 2.98Å; I343-N346 PolarHBondContact O-N 2.85Å; I343-S347 VanDerWaalsContact O-CB 3.31Å; I343-S347 WeakPolarHBondContact O-CB 3.35Å; I343-S347 PolarHBondContact O-N 2.91Å; I343-S347 PolarHBondContact O-OG 2.74Å
344Y81.3Confident77.7Confident55 Ų5558.6 Ų58.622%0.21630%0.295CS..Hα-helixtrans-60.6-47.6179.4-81-65.2000113H114 I117 A118 I121 I340 V341 F342 S347 F348H114-Y344 WeakPolarHBondContact CA-OH 3.34Å; H114-Y344 HydrophobicContact CB-CE2 4.14Å; H114-Y344 AromaticContact ND1-CE2 3.58Å; H114-Y344 AromaticContact ND1-CZ 3.71Å; H114-Y344 PolarHBondContact ND1-OH 3.44Å; H114-Y344 PolarHBondContact O-OH 3.07Å; I117-Y344 HydrophobicContact CB-CE1 4.19Å; I117-Y344 HydrophobicContact CG2-CE1 3.84Å; A118-Y344 HydrophobicContact CB-CD1 4.06Å; A118-Y344 HydrophobicContact CB-CE1 4Å; I121-Y344 HydrophobicContact CD1-CD1 3.88Å; I121-Y344 HydrophobicContact CD1-CE1 3.93Å; I340-Y344 HydrophobicContact CG2-CD2 3.75Å; I340-Y344 HydrophobicContact CG2-CE2 3.53Å; I340-Y344 WeakPolarHBondContact O-CD2 3.3Å; I340-Y344 PolarHBondContact O-N 2.96Å; I340-Y344 VanDerWaalsContact O-N 3.11Å; V341-Y344 PolarHBondContact O-N 3.5Å; F342-Y344 PolarHBondContact O-N 2.98Å; Y344-S347 PolarHBondContact O-N 3.46Å; Y344-F348 WeakPolarHBondContact O-CB 3.43Å; Y344-F348 PolarHBondContact O-N 3.43Å
345F78.8Confident79.1Confident107 Ų10752.6 Ų52.647%0.46927%0.266SS..Hα-helixtrans-63.8-44.1-178.9-173.8-105.5000111.4L327 V341 F342 I343 F348 L349L327-F345 HydrophobicContact CD1-CD1 4.02Å; L327-F345 HydrophobicContact CD1-CE1 3.72Å; V341-F345 WeakPolarHBondContact O-CB 3.39Å; V341-F345 PolarHBondContact O-N 3.3Å; F342-F345 PolarHBondContact O-N 2.89Å; I343-F345 PolarHBondContact O-N 2.98Å; F345-F348 PolarHBondContact O-N 2.74Å; F345-L349 HydrophobicContact CD1-CD1 3.75Å; F345-L349 HydrophobicContact CD2-CD1 4.36Å; F345-L349 HydrophobicContact CE1-CD1 3.21Å; F345-L349 HydrophobicContact CE1-CG 4.31Å; F345-L349 HydrophobicContact CE2-CD1 3.89Å; F345-L349 HydrophobicContact CE2-CG 4.4Å; F345-L349 HydrophobicContact CG-CD1 4.32Å; F345-L349 HydrophobicContact CZ-CD1 3.31Å; F345-L349 HydrophobicContact CZ-CG 4.28Å; F345-L349 WeakPolarHBondContact O-CG 3.33Å; F345-L349 PolarHBondContact O-N 3.45Å
346N76.9Confident79.8Confident27 Ų2749.9 Ų49.914%0.14425%0.249CC..Hα-helixtrans-65-46.1177.3-174.549.4000111.7F342 I343 F348 L349 Q350F342-N346 HydrophobicContact CE1-CB 4.43Å; F342-N346 VanDerWaalsContact O-CB 3.24Å; F342-N346 WeakPolarHBondContact O-CB 3.17Å; F342-N346 PolarHBondContact O-N 2.69Å; I343-N346 PolarHBondContact O-N 2.85Å; N346-F348 VanDerWaalsContact C-N 3.33Å; N346-F348 PolarHBondContact O-N 2.92Å; N346-L349 PolarHBondContact O-N 3.04Å; N346-Q350 WeakPolarHBondContact O-CB 3.21Å; N346-Q350 PolarHBondContact O-N 3.48Å
347S81.3Confident80.5Confident20 Ų2046.8 Ų46.814%0.1423%0.233CC..Hα-helixtrans-59.2-43.1176.1-67.30000112.2N122 I343 Y344 S351N122-S347 PolarHBondContact OD1-O 3.25Å; I343-S347 VanDerWaalsContact O-CB 3.31Å; I343-S347 WeakPolarHBondContact O-CB 3.35Å; I343-S347 PolarHBondContact O-N 2.91Å; I343-S347 PolarHBondContact O-OG 2.74Å; Y344-S347 PolarHBondContact O-N 3.46Å; S347-S351 VanDerWaalsContact O-CB 3.3Å; S347-S351 WeakPolarHBondContact O-CB 3.45Å; S347-S351 PolarHBondContact O-N 3.37Å; S347-S351 VanDerWaalsContact O-N 3.13Å; S347-S351 PolarHBondContact O-OG 2.81Å
348F83.7Confident81Confident83 Ų8340.5 Ų40.536%0.36420%0.201SC..Hα-helixtrans-63.6-52.3176.3177.2-98.2000111.4I121 Y344 F345 N346 Q350 S351 F352 F356I121-F348 HydrophobicContact CG2-CD2 4.49Å; Y344-F348 WeakPolarHBondContact O-CB 3.43Å; Y344-F348 PolarHBondContact O-N 3.43Å; F345-F348 PolarHBondContact O-N 2.74Å; N346-F348 VanDerWaalsContact C-N 3.33Å; N346-F348 PolarHBondContact O-N 2.92Å; F348-Q350 PolarHBondContact O-N 2.96Å; F348-S351 PolarHBondContact O-N 3.5Å; F348-S351 PolarHBondContact O-OG 3.32Å; F348-F352 AromaticContact CD2-CD2 3.51Å; F348-F352 HydrophobicContact CD2-CD2 3.51Å; F348-F352 AromaticContact CD2-CE2 3.58Å; F348-F352 HydrophobicContact CD2-CE2 3.58Å; F348-F352 AromaticContact CE2-CD2 3.47Å; F348-F352 HydrophobicContact CE2-CD2 3.47Å; F348-F352 VanDerWaalsContact CE2-CD2 3.47Å; F348-F352 AromaticContact CE2-CE2 3.52Å; F348-F352 HydrophobicContact CE2-CE2 3.52Å; F348-F352 HydrophobicContact CE2-CG 4.13Å; F348-F352 HydrophobicContact CE2-CZ 4.19Å; F348-F352 HydrophobicContact CG-CD2 4.18Å; F348-F352 HydrophobicContact CZ-CD2 4.12Å; F348-F352 HydrophobicContact CZ-CE2 4.5Å; F348-F352 HydrophobicContact CZ-CG 4.38Å; F348-F352 VanDerWaalsContact O-CD2 3.31Å; F348-F352 WeakPolarHBondContact O-CD2 3.49Å; F348-F352 PolarHBondContact O-N 3.42Å; F348-F356 HydrophobicContact CE1-CZ 4.43Å; F348-F356 HydrophobicContact CZ-CZ 4.47Å
349L81Confident81.5Confident34 Ų3439.3 Ų39.318%0.17819%0.191CC..Hα-helixtrans-67.7-37.8-175.9-67.6-178.4000112.9T324 F345 N346 Q353T324-L349 HydrophobicContact CG2-CB 3.68Å; T324-L349 HydrophobicContact CG2-CD1 3.28Å; T324-L349 HydrophobicContact CG2-CG 4.11Å; F345-L349 HydrophobicContact CD1-CD1 3.75Å; F345-L349 HydrophobicContact CD2-CD1 4.36Å; F345-L349 HydrophobicContact CE1-CD1 3.21Å; F345-L349 HydrophobicContact CE1-CG 4.31Å; F345-L349 HydrophobicContact CE2-CD1 3.89Å; F345-L349 HydrophobicContact CE2-CG 4.4Å; F345-L349 HydrophobicContact CG-CD1 4.32Å; F345-L349 HydrophobicContact CZ-CD1 3.31Å; F345-L349 HydrophobicContact CZ-CG 4.28Å; F345-L349 WeakPolarHBondContact O-CG 3.33Å; F345-L349 PolarHBondContact O-N 3.45Å; N346-L349 PolarHBondContact O-N 3.04Å; L349-Q353 WeakPolarHBondContact O-CA 3.42Å; L349-Q353 VanDerWaalsContact O-CB 3.23Å; L349-Q353 WeakPolarHBondContact O-CB 3.48Å; L349-Q353 PolarHBondContact O-N 2.95Å
350Q80.1Confident81.8Confident28 Ų2838.4 Ų38.413%0.13119%0.186CC..Hα-helixtrans-68.8-36.9179.4-171.4174.5-3.800112.4R164 Y325 N346 F348 Q353R164-Q350 PolarHBondContact NH2-O 2.63Å; Y325-Q350 HydrophobicContact CE2-CG 4.5Å; Y325-Q350 PolarHBondContact OH-NE2 3.08Å; N346-Q350 WeakPolarHBondContact O-CB 3.21Å; N346-Q350 PolarHBondContact O-N 3.48Å; F348-Q350 PolarHBondContact O-N 2.96Å; Q350-Q353 WeakPolarHBondContact O-CB 3.17Å
351S87.1Confident81.8Confident0 Ų038.1 Ų38.10%018%0.183CC..Hα-helixtrans-73.3-44177.955.40000113N122 S129 S347 F348 Q353N122-S351 WeakPolarHBondContact O-CB 3.21Å; N122-S351 WeakPolarHBondContact OD1-CB 3.44Å; S129-S351 WeakPolarHBondContact CB-O 3.34Å; S347-S351 VanDerWaalsContact O-CB 3.3Å; S347-S351 WeakPolarHBondContact O-CB 3.45Å; S347-S351 PolarHBondContact O-N 3.37Å; S347-S351 VanDerWaalsContact O-N 3.13Å; S347-S351 PolarHBondContact O-OG 2.81Å; F348-S351 PolarHBondContact O-N 3.5Å; F348-S351 PolarHBondContact O-OG 3.32Å; S351-Q353 VanDerWaalsContact C-N 3.31Å; S351-Q353 PolarHBondContact O-N 3.43Å
352F86.3Confident81.9Confident31 Ų3133.9 Ų33.914%0.13616%0.157CC..Hα-helixtrans-84.2-3.9-179.7-73.7-88.5000114I128 F348 G354 F355 F356I128-F352 HydrophobicContact CB-CE1 4.39Å; I128-F352 HydrophobicContact CD1-CE1 3.88Å; I128-F352 HydrophobicContact CD1-CZ 4.1Å; I128-F352 HydrophobicContact CG2-CE1 4.3Å; F348-F352 AromaticContact CD2-CD2 3.51Å; F348-F352 HydrophobicContact CD2-CD2 3.51Å; F348-F352 AromaticContact CD2-CE2 3.58Å; F348-F352 HydrophobicContact CD2-CE2 3.58Å; F348-F352 AromaticContact CE2-CD2 3.47Å; F348-F352 HydrophobicContact CE2-CD2 3.47Å; F348-F352 VanDerWaalsContact CE2-CD2 3.47Å; F348-F352 AromaticContact CE2-CE2 3.52Å; F348-F352 HydrophobicContact CE2-CE2 3.52Å; F348-F352 HydrophobicContact CE2-CG 4.13Å; F348-F352 HydrophobicContact CE2-CZ 4.19Å; F348-F352 HydrophobicContact CG-CD2 4.18Å; F348-F352 HydrophobicContact CZ-CD2 4.12Å; F348-F352 HydrophobicContact CZ-CE2 4.5Å; F348-F352 HydrophobicContact CZ-CG 4.38Å; F348-F352 VanDerWaalsContact O-CD2 3.31Å; F348-F352 WeakPolarHBondContact O-CD2 3.49Å; F348-F352 PolarHBondContact O-N 3.42Å; F352-G354 PolarHBondContact O-N 2.71Å; F352-F355 HydrophobicContact CD1-CB 4.42Å; F352-F355 HydrophobicContact CD1-CD1 4.24Å; F352-F355 HydrophobicContact CD1-CG 4.48Å; F352-F355 WeakPolarHBondContact O-CA 3.43Å; F352-F355 VanDerWaalsContact O-CB 3.3Å; F352-F355 WeakPolarHBondContact O-CB 3.47Å; F352-F355 PolarHBondContact O-N 3.43Å; F352-F356 HydrophobicContact CB-CD2 4.07Å; F352-F356 HydrophobicContact CB-CE2 3.54Å; F352-F356 HydrophobicContact CB-CZ 4.1Å; F352-F356 WeakPolarHBondContact O-CD2 3.4Å; F352-F356 PolarHBondContact O-N 3.04Å
353Q85.3Confident82.2Confident0 Ų034.9 Ų34.90%016%0.162CC..Hα-helixtrans-49.2-53.1179.2163.8166.726.100113F161 M204 L321 L349 Q350 S351 F355 F356 V357F161-Q353 HydrophobicContact CD1-CG 4.29Å; F161-Q353 HydrophobicContact CE1-CG 3.39Å; F161-Q353 HydrophobicContact CZ-CG 3.82Å; M204-Q353 PolarHBondContact SD-NE2 2.85Å; M204-Q353 VanDerWaalsContact SD-NE2 3.41Å; L321-Q353 HydrophobicContact CB-CG 4.16Å; L321-Q353 HydrophobicContact CD1-CG 3.67Å; L321-Q353 HydrophobicContact CD2-CB 3.54Å; L321-Q353 HydrophobicContact CD2-CG 3.31Å; L321-Q353 HydrophobicContact CG-CG 3.83Å; L321-Q353 PolarHBondContact O-NE2 3.48Å; L349-Q353 WeakPolarHBondContact O-CA 3.42Å; L349-Q353 VanDerWaalsContact O-CB 3.23Å; L349-Q353 WeakPolarHBondContact O-CB 3.48Å; L349-Q353 PolarHBondContact O-N 2.95Å; Q350-Q353 WeakPolarHBondContact O-CB 3.17Å; S351-Q353 VanDerWaalsContact C-N 3.31Å; S351-Q353 PolarHBondContact O-N 3.43Å; Q353-F355 VanDerWaalsContact C-N 3.31Å; Q353-F355 PolarHBondContact O-N 3.46Å; Q353-F356 PolarHBondContact O-N 3.3Å; Q353-V357 WeakPolarHBondContact O-CG2 3.43Å; Q353-V357 PolarHBondContact O-N 3.29Å; Q353-V357 VanDerWaalsContact O-N 3.09Å
354G87.2Confident82.3Confident0 Ų036.4 Ų36.40%017%0.17CC..Hα-helixtrans-68.1-30.5-179.700000113.1S129 F352 V357 S358S129-G354 VanDerWaalsContact OG-C 3.27Å; S129-G354 WeakPolarHBondContact OG-CA 3.08Å; F352-G354 PolarHBondContact O-N 2.71Å; G354-V357 PolarHBondContact O-N 2.89Å; G354-S358 PolarHBondContact O-N 3.05Å; G354-S358 PolarHBondContact O-OG 3.5Å
355F88.2Confident82.2Confident62 Ų6235.4 Ų35.427%0.27217%0.168SC..Hα-helixtrans-61.2-52.3172.2169.8-101.1000110.5I128 S129 A132 F352 Q353 V357 S358 V359I128-F355 HydrophobicContact CG2-CD2 3.86Å; I128-F355 HydrophobicContact CG2-CE2 4.26Å; I128-F355 HydrophobicContact CG2-CG 4.34Å; S129-F355 PolarHBondContact OG-N 3.32Å; S129-F355 VanDerWaalsContact OG-N 3.1Å; A132-F355 HydrophobicContact CB-CD2 3.79Å; A132-F355 HydrophobicContact CB-CE2 4.45Å; F352-F355 HydrophobicContact CD1-CB 4.42Å; F352-F355 HydrophobicContact CD1-CD1 4.24Å; F352-F355 HydrophobicContact CD1-CG 4.48Å; F352-F355 WeakPolarHBondContact O-CA 3.43Å; F352-F355 VanDerWaalsContact O-CB 3.3Å; F352-F355 WeakPolarHBondContact O-CB 3.47Å; F352-F355 PolarHBondContact O-N 3.43Å; Q353-F355 VanDerWaalsContact C-N 3.31Å; Q353-F355 PolarHBondContact O-N 3.46Å; F355-V357 VanDerWaalsContact C-N 3.33Å; F355-V357 PolarHBondContact O-N 3.16Å; F355-S358 PolarHBondContact O-N 3.01Å; F355-S358 VanDerWaalsContact O-N 3.14Å; F355-S358 PolarHBondContact O-OG 2.95Å; F355-V359 HydrophobicContact CD1-CG2 4.42Å; F355-V359 HydrophobicContact CD2-CG2 4.2Å; F355-V359 HydrophobicContact CE1-CG2 4.03Å; F355-V359 HydrophobicContact CE2-CG2 3.78Å; F355-V359 HydrophobicContact CZ-CG2 3.69Å; F355-V359 WeakPolarHBondContact O-CG2 3.26Å; F355-V359 PolarHBondContact O-N 3.44Å
356F84.5Confident82.2Confident50 Ų5032.8 Ų32.822%0.21917%0.171CC..Hα-helixtrans-58.8-44178.3-64.6-54.6000112L317 F348 F352 Q353 S358 V359 F360L317-F356 HydrophobicContact CD2-CB 4.33Å; L317-F356 HydrophobicContact CD2-CD1 4.39Å; L317-F356 HydrophobicContact CD2-CG 4.26Å; F348-F356 HydrophobicContact CE1-CZ 4.43Å; F348-F356 HydrophobicContact CZ-CZ 4.47Å; F352-F356 HydrophobicContact CB-CD2 4.07Å; F352-F356 HydrophobicContact CB-CE2 3.54Å; F352-F356 HydrophobicContact CB-CZ 4.1Å; F352-F356 WeakPolarHBondContact O-CD2 3.4Å; F352-F356 PolarHBondContact O-N 3.04Å; Q353-F356 PolarHBondContact O-N 3.3Å; F356-S358 PolarHBondContact O-N 3.39Å; F356-V359 PolarHBondContact O-N 3.01Å; F356-F360 HydrophobicContact CB-CD2 4.29Å; F356-F360 HydrophobicContact CB-CE2 4.19Å; F356-F360 HydrophobicContact CD1-CE2 4.37Å; F356-F360 WeakPolarHBondContact O-CD2 3.33Å; F356-F360 PolarHBondContact O-N 2.86Å
357V83Confident82.3Confident5 Ų535.7 Ų35.73%0.0318%0.184CC..Hα-helixtrans-55-49.8174.6172.20000111.1I158 F161 L321 Q353 G354 F355 V359 F360 Y361I158-V357 HydrophobicContact CG1-CG1 4.49Å; F161-V357 HydrophobicContact CD2-CG1 4.2Å; F161-V357 HydrophobicContact CD2-CG2 4.43Å; F161-V357 HydrophobicContact CE2-CB 4.37Å; F161-V357 HydrophobicContact CE2-CG1 4.09Å; F161-V357 HydrophobicContact CE2-CG2 3.76Å; F161-V357 HydrophobicContact CZ-CG2 4.03Å; L321-V357 HydrophobicContact CD1-CG2 3.2Å; Q353-V357 WeakPolarHBondContact O-CG2 3.43Å; Q353-V357 PolarHBondContact O-N 3.29Å; Q353-V357 VanDerWaalsContact O-N 3.09Å; G354-V357 PolarHBondContact O-N 2.89Å; F355-V357 VanDerWaalsContact C-N 3.33Å; F355-V357 PolarHBondContact O-N 3.16Å; V357-V359 VanDerWaalsContact C-N 3.35Å; V357-V359 PolarHBondContact O-N 3.45Å; V357-F360 PolarHBondContact O-N 3.19Å; V357-Y361 HydrophobicContact CB-CD2 4.37Å; V357-Y361 HydrophobicContact CG1-CD2 3.68Å; V357-Y361 HydrophobicContact CG1-CE2 4.21Å; V357-Y361 WeakPolarHBondContact O-CB 3.45Å; V357-Y361 WeakPolarHBondContact O-CD2 3.2Å; V357-Y361 PolarHBondContact O-N 3.32Å
358S84.8Confident82.3Confident0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-62.9-40.3-179.372.40000112.6A132 G354 F355 F356 C362 F363A132-S358 WeakPolarHBondContact CB-OG 3.37Å; G354-S358 PolarHBondContact O-N 3.05Å; G354-S358 PolarHBondContact O-OG 3.5Å; F355-S358 PolarHBondContact O-N 3.01Å; F355-S358 VanDerWaalsContact O-N 3.14Å; F355-S358 PolarHBondContact O-OG 2.95Å; F356-S358 PolarHBondContact O-N 3.39Å; S358-C362 WeakPolarHBondContact O-CA 3.45Å; S358-C362 WeakPolarHBondContact O-CB 3.47Å; S358-C362 PolarHBondContact O-N 3.22Å; S358-F363 PolarHBondContact O-N 3.45Å; S358-F363 VanDerWaalsContact O-N 3.1Å
359V83.4Confident82.3Confident29 Ų2937.8 Ų37.818%0.17619%0.187CC..Iπ-helixtrans-64.2-49.6178.8171.30000110.5F355 F356 V357 F363 L364F355-V359 HydrophobicContact CD1-CG2 4.42Å; F355-V359 HydrophobicContact CD2-CG2 4.2Å; F355-V359 HydrophobicContact CE1-CG2 4.03Å; F355-V359 HydrophobicContact CE2-CG2 3.78Å; F355-V359 HydrophobicContact CZ-CG2 3.69Å; F355-V359 WeakPolarHBondContact O-CG2 3.26Å; F355-V359 PolarHBondContact O-N 3.44Å; F356-V359 PolarHBondContact O-N 3.01Å; V357-V359 VanDerWaalsContact C-N 3.35Å; V357-V359 PolarHBondContact O-N 3.45Å; V359-F363 HydrophobicContact CB-CD2 4.48Å; V359-F363 HydrophobicContact CG2-CD2 4.01Å; V359-F363 PolarHBondContact O-N 3.16Å; V359-L364 HydrophobicContact CG1-CD1 3.67Å; V359-L364 HydrophobicContact CG1-CG 3.88Å; V359-L364 WeakPolarHBondContact O-CB 3.26Å; V359-L364 WeakPolarHBondContact O-CG 3.3Å; V359-L364 PolarHBondContact O-N 3.37Å
360F79Confident82.4Confident47 Ų4739.9 Ų39.921%0.20620%0.204CC..Iπ-helixtrans-75.5-45.7-175-68.7-59.5000113.3T314 L317 L318 F356 V357 L364T314-F360 HydrophobicContact CG2-CD1 3.17Å; T314-F360 HydrophobicContact CG2-CE1 3.33Å; T314-F360 HydrophobicContact CG2-CG 4.02Å; T314-F360 HydrophobicContact CG2-CZ 4.28Å; L317-F360 HydrophobicContact CD2-CD2 4.28Å; L317-F360 HydrophobicContact CD2-CE2 3.42Å; L317-F360 VanDerWaalsContact CD2-CE2 3.42Å; L317-F360 HydrophobicContact CD2-CZ 4.06Å; L318-F360 HydrophobicContact CD1-CB 4.39Å; F356-F360 HydrophobicContact CB-CD2 4.29Å; F356-F360 HydrophobicContact CB-CE2 4.19Å; F356-F360 HydrophobicContact CD1-CE2 4.37Å; F356-F360 WeakPolarHBondContact O-CD2 3.33Å; F356-F360 PolarHBondContact O-N 2.86Å; V357-F360 PolarHBondContact O-N 3.19Å; F360-L364 HydrophobicContact CD1-CD1 3.71Å; F360-L364 HydrophobicContact CE1-CD1 3.81Å
361Y75.6Confident82.6Confident26 Ų2639.6 Ų39.610%0.10221%0.207CC..Iπ-helixtrans-82.8-27-175.2-71.7-63.8000114H154 E207 L318 V357 N365H154-Y361 AromaticContact CE1-CD1 3.54Å; H154-Y361 AromaticContact CE1-CE1 3.4Å; H154-Y361 WeakPolarHBondContact CE1-CE1 3.06Å; H154-Y361 AromaticContact ND1-CD1 3.83Å; H154-Y361 AromaticContact ND1-CE1 3.88Å; E207-Y361 VanDerWaalsContact CD-CZ 3.44Å; E207-Y361 PolarHBondContact OE1-OH 2.94Å; E207-Y361 PolarHBondContact OE2-OH 3.11Å; L318-Y361 HydrophobicContact CD1-CE1 4.01Å; L318-Y361 HydrophobicContact CD1-CE2 3.99Å; L318-Y361 HydrophobicContact CD2-CE1 3.74Å; L318-Y361 WeakPolarHBondContact CD2-OH 3.43Å; L318-Y361 HydrophobicContact CG-CE1 4.06Å; L318-Y361 HydrophobicContact CG-CE2 4.04Å; L318-Y361 VanDerWaalsContact CG-CZ 3.45Å; L318-Y361 WeakPolarHBondContact CG-OH 3.35Å; V357-Y361 HydrophobicContact CB-CD2 4.37Å; V357-Y361 HydrophobicContact CG1-CD2 3.68Å; V357-Y361 HydrophobicContact CG1-CE2 4.21Å; V357-Y361 WeakPolarHBondContact O-CB 3.45Å; V357-Y361 WeakPolarHBondContact O-CD2 3.2Å; V357-Y361 PolarHBondContact O-N 3.32Å; Y361-N365 VanDerWaalsContact O-CB 3.26Å; Y361-N365 WeakPolarHBondContact O-CB 3.46Å; Y361-N365 PolarHBondContact O-ND2 3.49Å; Y361-N365 VanDerWaalsContact O-ND2 3.16Å
362C80.8Confident82.4Confident0 Ų041.2 Ų41.20%022%0.22CC..Iπ-helixtrans-108.8-65-179.3-164.70000112.3A136 F140 S358 N365 V368A136-C362 HydrophobicContact CB-CB 3.73Å; F140-C362 HydrophobicContact CE2-CB 3.62Å; F140-C362 WeakPolarHBondContact CE2-SG 3.34Å; F140-C362 HydrophobicContact CZ-CB 4Å; S358-C362 WeakPolarHBondContact O-CA 3.45Å; S358-C362 WeakPolarHBondContact O-CB 3.47Å; S358-C362 PolarHBondContact O-N 3.22Å; C362-N365 WeakPolarHBondContact O-CB 3.45Å; C362-N365 PolarHBondContact O-N 3.32Å; C362-V368 WeakPolarHBondContact O-CB 3.49Å
363F82.8Confident82.4Confident65 Ų6547 Ų4729%0.28524%0.241SC..Iπ-helixtrans-73-37.1-166.1-58.1-36.3000114.2A132 V135 A136 L139 S358 V359 R369A132-F363 HydrophobicContact CB-CE2 4.24Å; A132-F363 WeakPolarHBondContact O-CZ 3.25Å; V135-F363 HydrophobicContact CB-CE1 4.47Å; V135-F363 HydrophobicContact CB-CZ 4.13Å; V135-F363 HydrophobicContact CG1-CE1 3.89Å; V135-F363 HydrophobicContact CG1-CZ 3.96Å; A136-F363 HydrophobicContact CB-CE1 4.29Å; A136-F363 HydrophobicContact CB-CZ 4.3Å; L139-F363 HydrophobicContact CD1-CD1 4.06Å; L139-F363 HydrophobicContact CD1-CE1 3.79Å; S358-F363 PolarHBondContact O-N 3.45Å; S358-F363 VanDerWaalsContact O-N 3.1Å; V359-F363 HydrophobicContact CB-CD2 4.48Å; V359-F363 HydrophobicContact CG2-CD2 4.01Å; V359-F363 PolarHBondContact O-N 3.16Å; F363-R369 WeakPolarHBondContact O-CD 3.47Å; F363-R369 WeakPolarHBondContact O-CG 3.02Å
364L78.1Confident82.4Confident95 Ų9553.5 Ų53.550%0.49727%0.27SS..SBendtrans-87.9-7.7177.5-64.4-179.6000112.7V359 F360 G366V359-L364 HydrophobicContact CG1-CD1 3.67Å; V359-L364 HydrophobicContact CG1-CG 3.88Å; V359-L364 WeakPolarHBondContact O-CB 3.26Å; V359-L364 WeakPolarHBondContact O-CG 3.3Å; V359-L364 PolarHBondContact O-N 3.37Å; F360-L364 HydrophobicContact CD1-CD1 3.71Å; F360-L364 HydrophobicContact CE1-CD1 3.81Å; L364-G366 PolarHBondContact O-N 3.4Å
365N78.8Confident82.2Confident35 Ų3559.8 Ų59.819%0.18729%0.293CS..  trans-69.6117.5-179.4-171.5-31.3000110.8Y361 C362 E367 V368 R369Y361-N365 VanDerWaalsContact O-CB 3.26Å; Y361-N365 WeakPolarHBondContact O-CB 3.46Å; Y361-N365 PolarHBondContact O-ND2 3.49Å; Y361-N365 VanDerWaalsContact O-ND2 3.16Å; C362-N365 WeakPolarHBondContact O-CB 3.45Å; C362-N365 PolarHBondContact O-N 3.32Å; N365-E367 VanDerWaalsContact C-N 3.27Å; N365-E367 PolarHBondContact O-N 2.88Å; N365-E367 WeakPolarHBondContact OD1-CB 3.33Å; N365-E367 PolarHBondContact OD1-N 2.03Å; N365-V368 HydrophobicContact CB-CB 4.16Å; N365-V368 HydrophobicContact CB-CG2 3.91Å; N365-V368 PolarHBondContact O-N 2.96Å; N365-R369 WeakPolarHBondContact O-CG 3.46Å; N365-R369 PolarHBondContact O-N 3.27Å
366G77.9Confident82.1Confident51 Ų5163.7 Ų63.753%0.52631%0.306SS..Hα-helixtrans-58.8-35.5-177.800000113.6L364 S370L364-G366 PolarHBondContact O-N 3.4Å; G366-S370 VanDerWaalsContact O-CB 3.25Å; G366-S370 WeakPolarHBondContact O-CB 3.43Å; G366-S370 PolarHBondContact O-N 2.91Å
367E80.1Confident82.2Confident88 Ų8865.6 Ų65.641%0.41132%0.316SS..Hα-helixtrans-65.7-46.3177.3-64.4178.8-17200111R150 N365 S370 A371R150-E367 IonicContact CZ-OE1 2.69Å; R150-E367 IonicContact CZ-OE2 3.74Å; R150-E367 IonicContact NH1-OE1 3.92Å; R150-E367 IonicContact NH2-OE1 2.66Å; R150-E367 PolarHBondContact NH2-OE1 3.21Å; R150-E367 IonicContact NH2-OE2 2.75Å; R150-E367 PolarHBondContact NH2-OE2 3.4Å; N365-E367 VanDerWaalsContact C-N 3.27Å; N365-E367 PolarHBondContact O-N 2.88Å; N365-E367 WeakPolarHBondContact OD1-CB 3.33Å; N365-E367 PolarHBondContact OD1-N 2.03Å; E367-S370 PolarHBondContact O-N 2.87Å; E367-A371 WeakPolarHBondContact O-CB 3.29Å; E367-A371 PolarHBondContact O-N 2.88Å
368V80.8Confident82.3Confident6 Ų671.7 Ų71.74%0.03634%0.338CS..Hα-helixtrans-65.5-46.1179.4179.60000110.5F140 L143 C362 N365 S370 A371 A372F140-V368 HydrophobicContact CE1-CG2 3.82Å; F140-V368 HydrophobicContact CZ-CG2 4.08Å; L143-V368 HydrophobicContact CD1-CG1 4.08Å; C362-V368 WeakPolarHBondContact O-CB 3.49Å; N365-V368 HydrophobicContact CB-CB 4.16Å; N365-V368 HydrophobicContact CB-CG2 3.91Å; N365-V368 PolarHBondContact O-N 2.96Å; V368-S370 VanDerWaalsContact C-N 3.35Å; V368-S370 PolarHBondContact O-N 3.25Å; V368-A371 PolarHBondContact O-N 2.5Å; V368-A372 VanDerWaalsContact O-CB 3.29Å; V368-A372 WeakPolarHBondContact O-CB 3.02Å; V368-A372 PolarHBondContact O-N 2.81Å
369R83.6Confident82.3Confident141 Ų14177.2 Ų77.253%0.53236%0.359SS..Hα-helixtrans-59.9-43.7177.1-70.217674.6-176.62.5112F363 N365 R373F363-R369 WeakPolarHBondContact O-CD 3.47Å; F363-R369 WeakPolarHBondContact O-CG 3.02Å; N365-R369 WeakPolarHBondContact O-CG 3.46Å; N365-R369 PolarHBondContact O-N 3.27Å; R369-R373 WeakPolarHBondContact O-CB 3.04Å; R369-R373 PolarHBondContact O-N 3.28Å
370S83.5Confident82.5Confident78 Ų7879.7 Ų79.755%0.54537%0.369SS..Hα-helixtrans-64.3-45.4177.7-176.50000111.7G366 E367 V368 R373 K374G366-S370 VanDerWaalsContact O-CB 3.25Å; G366-S370 WeakPolarHBondContact O-CB 3.43Å; G366-S370 PolarHBondContact O-N 2.91Å; E367-S370 PolarHBondContact O-N 2.87Å; V368-S370 VanDerWaalsContact C-N 3.35Å; V368-S370 PolarHBondContact O-N 3.25Å; S370-R373 PolarHBondContact O-N 2.99Å; S370-K374 PolarHBondContact O-N 2.01Å
371A84Confident82.7Confident23 Ų2382 Ų8219%0.1938%0.383CS..Hα-helixtrans-65.7-40.9178.600000112.8L143 I146 E367 V368 K374 R375L143-A371 HydrophobicContact CD1-CB 4.1Å; L143-A371 HydrophobicContact CD2-CB 3.99Å; I146-A371 HydrophobicContact CD1-CB 3.64Å; E367-A371 WeakPolarHBondContact O-CB 3.29Å; E367-A371 PolarHBondContact O-N 2.88Å; V368-A371 PolarHBondContact O-N 2.5Å; A371-K374 PolarHBondContact O-N 3.48Å; A371-R375 PolarHBondContact O-N 3.11Å
372A83.5Confident82.9Confident33 Ų3385.4 Ų85.427%0.27340%0.4SS..Hα-helixtrans-61.2-46.9174.200000111.2V368 K374 R375 W376V368-A372 VanDerWaalsContact O-CB 3.29Å; V368-A372 WeakPolarHBondContact O-CB 3.02Å; V368-A372 PolarHBondContact O-N 2.81Å; A372-K374 PolarHBondContact O-N 3.15Å; A372-R375 PolarHBondContact O-N 2.86Å; A372-R375 VanDerWaalsContact O-N 3.15Å; A372-W376 WeakPolarHBondContact O-CB 3.37Å; A372-W376 PolarHBondContact O-N 3.12Å
373R85.8Confident82.8Confident154 Ų15489.7 Ų89.758%0.58142%0.42SS*.Hα-helixtrans-58.9-45175.9-171.3-174-59-83.92.2111.9R369 S370 R375 W376 H377R369-R373 WeakPolarHBondContact O-CB 3.04Å; R369-R373 PolarHBondContact O-N 3.28Å; S370-R373 PolarHBondContact O-N 2.99Å; R373-R375 VanDerWaalsContact C-N 3.3Å; R373-R375 PolarHBondContact O-N 3.34Å; R373-W376 WeakPolarHBondContact O-CB 3.36Å; R373-W376 PolarHBondContact O-N 3.3Å; R373-H377 PolarHBondContact O-CD2 2.87Å; R373-H377 PolarHBondContact O-N 2.93Å
374K85.5Confident82.5Confident136 Ų13688.9 Ų88.959%0.59142%0.422SS*.Hα-helixtrans-63.7-34.3176.9-171173.9-174.9174.40112.6S370 A371 A372 R378S370-K374 PolarHBondContact O-N 2.01Å; A371-K374 PolarHBondContact O-N 3.48Å; A372-K374 PolarHBondContact O-N 3.15Å; K374-R378 WeakPolarHBondContact O-CG 3.41Å; K374-R378 PolarHBondContact O-N 3.47Å; K374-R378 PolarHBondContact O-NE 3.2Å
375R83.4Confident82.3Confident132 Ų13289 Ų8950%0.49842%0.423SS..Hα-helixtrans-72.1-40.2175.1-171.466174.6108.1-5.4111.5L143 A371 A372 R373 R378 W379L143-R375 HydrophobicContact CD2-CB 4.5Å; A371-R375 PolarHBondContact O-N 3.11Å; A372-R375 PolarHBondContact O-N 2.86Å; A372-R375 VanDerWaalsContact O-N 3.15Å; R373-R375 VanDerWaalsContact C-N 3.3Å; R373-R375 PolarHBondContact O-N 3.34Å; R375-R378 PolarHBondContact O-N 3.41Å; R375-W379 PolarHBondContact O-N 3.44Å
376W85.8Confident81.9Confident143 Ų14395 Ų9554%0.54244%0.443SS..Hα-helixtrans-61-49.7177.2-173.6-96.8000111.8A372 R373 R378 W379 Q380A372-W376 WeakPolarHBondContact O-CB 3.37Å; A372-W376 PolarHBondContact O-N 3.12Å; R373-W376 WeakPolarHBondContact O-CB 3.36Å; R373-W376 PolarHBondContact O-N 3.3Å; W376-R378 PolarHBondContact O-N 3.21Å; W376-W379 HydrophobicContact CH2-CZ3 4.18Å; W376-W379 HydrophobicContact CZ2-CZ3 4.3Å; W376-W379 WeakPolarHBondContact O-CB 3.41Å; W376-W379 PolarHBondContact O-N 3.03Å; W376-W379 VanDerWaalsContact O-N 3.11Å; W376-Q380 VanDerWaalsContact NE1-CD 3.29Å; W376-Q380 WeakPolarHBondContact O-CG 3.48Å; W376-Q380 PolarHBondContact O-N 3.23Å
377H86.9Confident81.4Confident90 Ų9096.3 Ų96.342%0.41744%0.44SS..Hα-helixtrans-58.5-46.1175.8-71.7-53.4000112.2R373 W379 Q380 D381R373-H377 PolarHBondContact O-CD2 2.87Å; R373-H377 PolarHBondContact O-N 2.93Å; H377-W379 VanDerWaalsContact C-N 3.28Å; H377-W379 PolarHBondContact O-N 3.13Å; H377-Q380 PolarHBondContact ND1-OE1 3.16Å; H377-Q380 WeakPolarHBondContact O-CB 3.39Å; H377-Q380 PolarHBondContact O-N 3.33Å; H377-Q380 VanDerWaalsContact O-N 3.16Å; H377-D381 VanDerWaalsContact O-CG 3.28Å; H377-D381 PolarHBondContact O-N 2.94Å
378R84.8Confident80.7Confident133 Ų133100.7 Ų100.750%0.50245%0.453SS..Hα-helixtrans-61-34.8175.6-74.8-175.3-69.1-172.52.3113.5K374 R375 W376 H382K374-R378 WeakPolarHBondContact O-CG 3.41Å; K374-R378 PolarHBondContact O-N 3.47Å; K374-R378 PolarHBondContact O-NE 3.2Å; R375-R378 PolarHBondContact O-N 3.41Å; W376-R378 PolarHBondContact O-N 3.21Å; R378-H382 WeakPolarHBondContact O-CB 3.02Å; R378-H382 PolarHBondContact O-N 2.81Å; R378-H382 VanDerWaalsContact O-N 3.16Å
379W84.9Confident79.9Confident117 Ų117104.2 Ų104.244%0.44347%0.474SS..Hα-helixtrans-69.6-44.2175.6176.684.9000111.1R375 W376 H377 D381 H382 H383R375-W379 PolarHBondContact O-N 3.44Å; W376-W379 HydrophobicContact CH2-CZ3 4.18Å; W376-W379 HydrophobicContact CZ2-CZ3 4.3Å; W376-W379 WeakPolarHBondContact O-CB 3.41Å; W376-W379 PolarHBondContact O-N 3.03Å; W376-W379 VanDerWaalsContact O-N 3.11Å; H377-W379 VanDerWaalsContact C-N 3.28Å; H377-W379 PolarHBondContact O-N 3.13Å; W379-D381 PolarHBondContact O-N 2.75Å; W379-H382 PolarHBondContact O-N 2.82Å; W379-H383 AromaticContact CH2-CD2 3.8Å; W379-H383 AromaticContact CZ2-CD2 3.69Å; W379-H383 WeakPolarHBondContact O-CB 3.34Å; W379-H383 PolarHBondContact O-N 3.37Å
380Q86.6Confident79Confident81 Ų81100.1 Ų100.138%0.37947%0.471SS..Hα-helixtrans-58-46.6174.2-72.2-179.7-36.700111.6W376 H377 H382 H383 S384W376-Q380 VanDerWaalsContact NE1-CD 3.29Å; W376-Q380 WeakPolarHBondContact O-CG 3.48Å; W376-Q380 PolarHBondContact O-N 3.23Å; H377-Q380 PolarHBondContact ND1-OE1 3.16Å; H377-Q380 WeakPolarHBondContact O-CB 3.39Å; H377-Q380 PolarHBondContact O-N 3.33Å; H377-Q380 VanDerWaalsContact O-N 3.16Å; Q380-H382 PolarHBondContact O-N 3.49Å; Q380-H383 PolarHBondContact O-N 3.15Å; Q380-S384 WeakPolarHBondContact O-CB 3.16Å; Q380-S384 PolarHBondContact O-N 2.88Å
381D84.1Confident77.9Confident94 Ų94105.2 Ų105.250%0.50348%0.478SS..Hα-helixtrans-59.3-48.5178.5-67-23.4000111.1H377 W379 H383 S384 L385H377-D381 VanDerWaalsContact O-CG 3.28Å; H377-D381 PolarHBondContact O-N 2.94Å; W379-D381 PolarHBondContact O-N 2.75Å; D381-H383 VanDerWaalsContact C-N 3.32Å; D381-H383 PolarHBondContact O-N 2.78Å; D381-S384 PolarHBondContact O-N 3.39Å; D381-S384 PolarHBondContact O-OG 3Å; D381-L385 WeakPolarHBondContact O-CG 3.34Å; D381-L385 PolarHBondContact O-N 2.89Å
382H79.1Confident76.8Confident98 Ų98107.3 Ų107.345%0.45450%0.495SS..Hα-helixtrans-64.5-35178.6-172.7-98.6000112.8R378 W379 Q380 R386R378-H382 WeakPolarHBondContact O-CB 3.02Å; R378-H382 PolarHBondContact O-N 2.81Å; R378-H382 VanDerWaalsContact O-N 3.16Å; W379-H382 PolarHBondContact O-N 2.82Å; Q380-H382 PolarHBondContact O-N 3.49Å; H382-R386 PolarHBondContact CE1-NE 3.41Å; H382-R386 PolarHBondContact O-N 3.06Å
383H78.8Confident75.6Confident91 Ų91112.8 Ų112.842%0.42152%0.517SS..Hα-helixtrans-71.6-39.5176.2-13828.9000111.7W379 Q380 D381 L385 R386 V387W379-H383 AromaticContact CH2-CD2 3.8Å; W379-H383 AromaticContact CZ2-CD2 3.69Å; W379-H383 WeakPolarHBondContact O-CB 3.34Å; W379-H383 PolarHBondContact O-N 3.37Å; Q380-H383 PolarHBondContact O-N 3.15Å; D381-H383 VanDerWaalsContact C-N 3.32Å; D381-H383 PolarHBondContact O-N 2.78Å; H383-L385 VanDerWaalsContact C-N 3.33Å; H383-L385 PolarHBondContact O-N 2.92Å; H383-R386 PolarHBondContact O-N 3.47Å; H383-V387 WeakPolarHBondContact O-CG2 3.46Å; H383-V387 PolarHBondContact O-N 3.09Å
384S76.2Confident74.2Confident48 Ų48109.5 Ų109.534%0.33652%0.518SS..Hα-helixtrans-62.3-39.5174.180.50000112.1Q380 D381 V387 R388Q380-S384 WeakPolarHBondContact O-CB 3.16Å; Q380-S384 PolarHBondContact O-N 2.88Å; D381-S384 PolarHBondContact O-N 3.39Å; D381-S384 PolarHBondContact O-OG 3Å; S384-V387 PolarHBondContact O-N 2.77Å; S384-R388 WeakPolarHBondContact O-CG 3.04Å; S384-R388 PolarHBondContact O-N 3.38Å
385L73.3Confident72.7Confident97 Ų97108.4 Ų108.451%0.50852%0.517SS..Hα-helixtrans-66.3-44.2174.8-73.5166.7000111.5D381 H383 V387 R388 V389D381-L385 WeakPolarHBondContact O-CG 3.34Å; D381-L385 PolarHBondContact O-N 2.89Å; H383-L385 VanDerWaalsContact C-N 3.33Å; H383-L385 PolarHBondContact O-N 2.92Å; L385-V387 VanDerWaalsContact C-N 3.34Å; L385-V387 PolarHBondContact O-N 2.75Å; L385-R388 PolarHBondContact O-N 2.71Å; L385-V389 WeakPolarHBondContact O-CB 3.4Å; L385-V389 VanDerWaalsContact O-CG2 3.29Å; L385-V389 WeakPolarHBondContact O-CG2 3.24Å; L385-V389 PolarHBondContact O-N 2.99Å
386R70.6Confident71Confident162 Ų162107.5 Ų107.561%0.61153%0.528SS*.Hα-helixtrans-60.3-41.7175.1-81-169.3-178.4-172.50.6112.5H382 H383 V389 A390H382-R386 PolarHBondContact CE1-NE 3.41Å; H382-R386 PolarHBondContact O-N 3.06Å; H383-R386 PolarHBondContact O-N 3.47Å; R386-V389 PolarHBondContact O-N 3.44Å; R386-A390 VanDerWaalsContact O-CB 3.29Å; R386-A390 WeakPolarHBondContact O-CB 3.06Å; R386-A390 PolarHBondContact O-N 2.96Å
387V68.4Low69.6Low77 Ų77107.1 Ų107.147%0.46754%0.542SS..Hα-helixtrans-66.7-40177.1173.20000111.3H383 S384 L385 R391H383-V387 WeakPolarHBondContact O-CG2 3.46Å; H383-V387 PolarHBondContact O-N 3.09Å; S384-V387 PolarHBondContact O-N 2.77Å; L385-V387 VanDerWaalsContact C-N 3.34Å; L385-V387 PolarHBondContact O-N 2.75Å; V387-R391 PolarHBondContact O-N 2.03Å
388R65.1Low67.7Low180 Ų180107 Ų10768%0.67955%0.551SS**Hα-helixtrans-64.5-44174.8-74.8178.9-174.2-173.23112.3S384 L385 R391 A392S384-R388 WeakPolarHBondContact O-CG 3.04Å; S384-R388 PolarHBondContact O-N 3.38Å; L385-R388 PolarHBondContact O-N 2.71Å; R388-R391 PolarHBondContact O-N 3.45Å; R388-A392 WeakPolarHBondContact O-CB 3.47Å; R388-A392 PolarHBondContact O-N 3.4Å
389V65Low65.9Low81 Ų81106.3 Ų106.349%0.49156%0.564SS.*Hα-helixtrans-66.3-42.1177.5172.20000111.1L385 R386 R391 A392 M393L385-V389 WeakPolarHBondContact O-CB 3.4Å; L385-V389 VanDerWaalsContact O-CG2 3.29Å; L385-V389 WeakPolarHBondContact O-CG2 3.24Å; L385-V389 PolarHBondContact O-N 2.99Å; R386-V389 PolarHBondContact O-N 3.44Å; V389-R391 PolarHBondContact O-N 3.5Å; V389-A392 PolarHBondContact O-N 3.34Å; V389-M393 HydrophobicContact CG1-CE 3.86Å; V389-M393 HydrophobicContact CG1-SD 4.2Å; V389-M393 WeakPolarHBondContact O-CG 3.28Å; V389-M393 PolarHBondContact O-N 2.96Å
390A63.5Low64.1Low55 Ų55106.2 Ų106.246%0.45558%0.576SS.*Hα-helixtrans-61.8-41174.700000112.4R386 M393 S394R386-A390 VanDerWaalsContact O-CB 3.29Å; R386-A390 WeakPolarHBondContact O-CB 3.06Å; R386-A390 PolarHBondContact O-N 2.96Å; A390-M393 PolarHBondContact O-N 2.95Å; A390-S394 PolarHBondContact O-N 2.62Å; A390-S394 VanDerWaalsContact O-N 3.15Å; A390-S394 PolarHBondContact O-OG 3.25Å
391R60.2Low62.1Low184 Ų184113.3 Ų113.369%0.69460%0.6SS**Hα-helixtrans-66.4-38.5173.4-89.1-173.7-178.7162.51.3113.2V387 R388 V389 M393 S394 I395V387-R391 PolarHBondContact O-N 2.03Å; R388-R391 PolarHBondContact O-N 3.45Å; V389-R391 PolarHBondContact O-N 3.5Å; R391-M393 VanDerWaalsContact C-N 3.34Å; R391-S394 WeakPolarHBondContact CA-OG 3.35Å; R391-S394 PolarHBondContact O-N 2.8Å; R391-S394 PolarHBondContact O-OG 3.22Å; R391-I395 PolarHBondContact O-N 3.44Å
392A61Low60.2Low68 Ų68115.1 Ų115.156%0.56261%0.608SS**Hα-helixtrans-67.1-35.5177.600000112R388 V389R388-A392 WeakPolarHBondContact O-CB 3.47Å; R388-A392 PolarHBondContact O-N 3.4Å; V389-A392 PolarHBondContact O-N 3.34Å
393M59Low58.4Low148 Ų148114.8 Ų114.873%0.72962%0.617SS**Hα-helixtrans-77.8-17.9176.3-67.1-173.9-54.200113.9V389 A390 R391V389-M393 HydrophobicContact CG1-CE 3.86Å; V389-M393 HydrophobicContact CG1-SD 4.2Å; V389-M393 WeakPolarHBondContact O-CG 3.28Å; V389-M393 PolarHBondContact O-N 2.96Å; A390-M393 PolarHBondContact O-N 2.95Å; R391-M393 VanDerWaalsContact C-N 3.34Å
394S56.2Low56.8Low84 Ų84119.9 Ų119.959%0.58764%0.638SS**THydrogen-bonded Turntrans-90.4-3.9176.563.50000114.3A390 R391 P396A390-S394 PolarHBondContact O-N 2.62Å; A390-S394 VanDerWaalsContact O-N 3.15Å; A390-S394 PolarHBondContact O-OG 3.25Å; R391-S394 WeakPolarHBondContact CA-OG 3.35Å; R391-S394 PolarHBondContact O-N 2.8Å; R391-S394 PolarHBondContact O-OG 3.22Å; S394-P396 WeakPolarHBondContact O-CD 3.24Å
395I53Low55.1Low114 Ų114126.1 Ų126.159%0.58566%0.662SS**SBendtrans-77.4117.3170.2-65.3168.1000106.6R391 T397R391-I395 PolarHBondContact O-N 3.44Å; I395-T397 PolarHBondContact O-N 2.92Å
396P47.9Very low53.4Low113 Ų113126.3 Ų126.373%0.73467%0.671SS**  trans-64.1113.5170.80.412.2000106.8S394 S398S394-P396 WeakPolarHBondContact O-CD 3.24Å; P396-S398 PolarHBondContact O-N 2.92Å
397T57.8Low52.1Low134 Ų134127.1 Ų127.182%0.82269%0.685SS**  trans-66.480.9161.849.30000107.2I395 P399I395-T397 PolarHBondContact O-N 2.92Å; T397-P399 WeakPolarHBondContact O-CD 3.44Å
398S45.8Very low50.8Low88 Ų88131.8 Ų131.862%0.61570%0.699SS**  trans-66.3119.3167.4-176.10000107.3P396 T400P396-S398 PolarHBondContact O-N 2.92Å; S398-T400 VanDerWaalsContact C-N 3.27Å; S398-T400 PolarHBondContact O-N 2.85Å
399P48.2Very low49.7Very low118 Ų118132.5 Ų132.577%0.76671%0.711SS**  trans-78.185.6172.931.9-28000107T397 R401T397-P399 WeakPolarHBondContact O-CD 3.44Å; P399-R401 PolarHBondContact O-N 3.3Å
400T47.4Very low48.6Very low115 Ų115135.2 Ų135.271%0.70673%0.727SS**  trans-68.688.5161.1430000107.5S398 I402S398-T400 VanDerWaalsContact C-N 3.27Å; S398-T400 PolarHBondContact O-N 2.85Å; T400-I402 VanDerWaalsContact C-N 3.27Å; T400-I402 PolarHBondContact O-N 2.93Å
401R43.4Very low47.4Very low231 Ų231137.5 Ų137.587%0.87275%0.746SS**  trans-57.390.8163.2-175.9-165.6-95.5-149.1-2.4107.3P399 S403P399-R401 PolarHBondContact O-N 3.3Å; R401-S403 VanDerWaalsContact C-N 3.32Å; R401-S403 PolarHBondContact O-N 2.98Å
402I45Very low46.7Very low132 Ų132133.1 Ų133.168%0.67775%0.749SS**  trans-73.496.2165.8-59.4177.7000106.1T400 F404T400-I402 VanDerWaalsContact C-N 3.27Å; T400-I402 PolarHBondContact O-N 2.93Å; I402-F404 HydrophobicContact CG2-CD2 3.76Å; I402-F404 HydrophobicContact CG2-CE2 3.8Å; I402-F404 PolarHBondContact O-N 2.95Å; I402-F404 VanDerWaalsContact O-N 3.1Å
403S41.3Very low45.5Very low91 Ų91140.4 Ų140.464%0.63679%0.787SS**  trans-64.396.7169.3154.30000109.3R401 H405R401-S403 VanDerWaalsContact C-N 3.32Å; R401-S403 PolarHBondContact O-N 2.98Å; S403-H405 PolarHBondContact O-N 2.62Å
404F45.3Very low44.8Very low198 Ų198140.1 Ų140.187%0.86879%0.79SS**  trans-86.789.6158.6-93.6-86.2000108.4I402I402-F404 HydrophobicContact CG2-CD2 3.76Å; I402-F404 HydrophobicContact CG2-CE2 3.8Å; I402-F404 PolarHBondContact O-N 2.95Å; I402-F404 VanDerWaalsContact O-N 3.1Å
405H40.2Very low44.2Very low179 Ų179143 Ų14383%0.82980%0.8SS**  trans-124.6126.1163-113.4-80.5000108.9S403S403-H405 PolarHBondContact O-N 2.62Å
406S37Very low43.7Very low101 Ų101144.6 Ų144.671%0.70681%0.812SS**  trans86.190161.3-152.50000118.2
407I42.8Very low43.5Very low178 Ų178146.5 Ų146.591%0.91382%0.817SS**  -128.9126.3129-62.3-176.3000107.5
408K40.8Very low42.6Very low175 Ų175147.3 Ų147.376%0.76182%0.816SS**  trans-60.2143.7-166.6-74.2168.3167.2177.80114.5T410K408-T410 PolarHBondContact O-N 3.47Å
409Q43.3Very low42.3Very low196 Ų196151.2 Ų151.292%0.91683%0.83SS**  trans-59.2121.2147-77.3171.8-42.300109.7
410T41.2Very low41.9Very low137 Ų137153.6 Ų153.684%0.8483%0.834SS**  trans-143.295.9146.3-25.80000107.7K408K408-T410 PolarHBondContact O-N 3.47Å
411A38.9Very low41.5Very low103 Ų103156.5 Ų156.585%0.85184%0.844SS**  trans-146.295.9164.800000107.5
412A44.3Very low41.3Very low92 Ų92150.3 Ų150.376%0.7684%0.842SS**  trans-170.4116.2148.500000108.9
413V36.1Very low41Very low222 Ų222152 Ų152100%1.34586%0.857SS**  trans52.10144.4-168.40000119

Retrieved 413 of 413 residues in 236.8 ms (Link to these results)